USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 1626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 96 LYS NZ :NH3+ 158:sc= -2.53! (180deg=-2.85!) USER MOD Set 1.2: B 97 GLN : amide:sc= -2.82 K(o=-5.3,f=-8.8!) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.24 K(o=-3.1,f=-7.7!) USER MOD Set 2.2: B 87 ASN : amide:sc= -2.84 K(o=-3.1,f=-9.7!) USER MOD Set 3.1: A 80 SER OG : rot -78:sc= 0.731 USER MOD Set 3.2: B 80 SER OG : rot -80:sc= 0.834 USER MOD Set 4.1: B 12 MET CE :methyl -160:sc= -2.89 (180deg=-4.02!) USER MOD Set 4.2: B 76 SER OG : rot 81:sc= -0.138 USER MOD Set 5.1: B 56 GLN :FLIP amide:sc= -2.08 F(o=-7.5!,f=-2.1) USER MOD Set 5.2: B 57 LYS NZ :NH3+ -131:sc= -0.0281 (180deg=-0.502) USER MOD Set 5.3: B 59 MET CE :methyl -139:sc= -0.634 (180deg=-2.64) USER MOD Set 5.4: B 60 SER OG : rot 28:sc= 0.744 USER MOD Set 5.5: B 68 ASN :FLIP amide:sc= -0.0777 F(o=-5.6!,f=-2.1) USER MOD Set 6.1: B 28 LYS NZ :NH3+ -146:sc= 0.823 (180deg=0) USER MOD Set 6.2: B 65 ASN : amide:sc= -4.4! X(o=-3.6!,f=-4) USER MOD Set 7.1: B 30 ASN : amide:sc= -2.95! C(o=-2.9!,f=-3.3!) USER MOD Set 7.2: B 32 SER OG : rot 180:sc= 0.0134 USER MOD Set 8.1: A 87 ASN : amide:sc= -2.85 K(o=-3.3,f=-10!) USER MOD Set 8.2: B 17 HIS : no HD1:sc= -0.403 K(o=-3.3,f=-7.9!) USER MOD Set 9.1: A 19 TYR OH : rot 54:sc= 1.85 USER MOD Set 9.2: B 1 MET N :NH3+ -154:sc= 1.47 (180deg=0.397) USER MOD Set10.1: A 96 LYS NZ :NH3+ 154:sc= -2.37! (180deg=-2.96!) USER MOD Set10.2: A 97 GLN : amide:sc= -2.92! C(o=-5.3!,f=-8.5!) USER MOD Set11.1: A 28 LYS NZ :NH3+ -146:sc= 0.82 (180deg=0) USER MOD Set11.2: A 65 ASN : amide:sc= -4.32! X(o=-3.5!,f=-3.9) USER MOD Set12.1: A 56 GLN :FLIP amide:sc= -2.15 F(o=-7.4!,f=-2.1) USER MOD Set12.2: A 57 LYS NZ :NH3+ -130:sc= -0.0412 (180deg=-0.481) USER MOD Set12.3: A 59 MET CE :methyl -138:sc= -0.621 (180deg=-2.57!) USER MOD Set12.4: A 60 SER OG : rot 24:sc= 0.78 USER MOD Set12.5: A 68 ASN :FLIP amide:sc= -0.0735 F(o=-5.6!,f=-2.1) USER MOD Set13.1: A 30 ASN : amide:sc= -2.88! C(o=-2.9!,f=-3.4!) USER MOD Set13.2: A 32 SER OG : rot 180:sc= 0.0145 USER MOD Set14.1: A 12 MET CE :methyl -155:sc= -2.91 (180deg=-4.08!) USER MOD Set14.2: A 76 SER OG : rot 74:sc= -0.111 USER MOD Set15.1: A 1 MET N :NH3+ -150:sc= 1.49 (180deg=0.397) USER MOD Set15.2: B 19 TYR OH : rot 61:sc= 1.86 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.126 USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -1.85! (180deg=-2.28!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -150:sc= -1.94! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 170:sc= 1.11 USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= -0.411! (180deg=-4.92!) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0797 (180deg=-0.369) USER MOD Single : A 31 LYS NZ :NH3+ -106:sc= -0.625 (180deg=-2.78!) USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.883) USER MOD Single : A 39 THR OG1 : rot -75:sc= 1.11 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 39:sc= 0.00777 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.215 F(o=-3!,f=-0.21) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 81 SER OG : rot -7:sc= 1.21 USER MOD Single : A 84 MET CE :methyl -134:sc= -0.177 (180deg=-2.08!) USER MOD Single : A 85 MET CE :methyl 150:sc= -0.27 (180deg=-1.04) USER MOD Single : A 86 SER OG : rot -78:sc= 1.21 USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.0493 (180deg=-0.32) USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= 1.19 (180deg=1.01) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0.0889 USER MOD Single : B 7 LYS NZ :NH3+ 159:sc= -2.04! (180deg=-2.75!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot -179:sc= -1.93! USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot 169:sc= 1.08 USER MOD Single : B 22 LYS NZ :NH3+ 146:sc= -0.439! (180deg=-4.75!) USER MOD Single : B 26 LYS NZ :NH3+ -163:sc= -0.0454 (180deg=-0.33) USER MOD Single : B 31 LYS NZ :NH3+ -108:sc= -0.63 (180deg=-2.72!) USER MOD Single : B 35 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.85) USER MOD Single : B 39 THR OG1 : rot -78:sc= 1.11 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 48:sc= 0.00877 USER MOD Single : B 61 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 73 GLN :FLIP amide:sc= -0.195 F(o=-2.8!,f=-0.2) USER MOD Single : B 75 TYR OH : rot 180:sc= -0.154 USER MOD Single : B 81 SER OG : rot -19:sc= 1.27 USER MOD Single : B 84 MET CE :methyl -131:sc= -0.192 (180deg=-2.1!) USER MOD Single : B 85 MET CE :methyl 151:sc= -0.249 (180deg=-1.09) USER MOD Single : B 86 SER OG : rot -78:sc= 1.14 USER MOD Single : B 100 LYS NZ :NH3+ -165:sc= -0.0399 (180deg=-0.303) USER MOD Single : B 101 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.947) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.364 -0.497 12.247 1.00 3.80 N ATOM 2 CA MET A 1 -12.114 0.769 12.968 1.00 3.21 C ATOM 3 C MET A 1 -10.621 1.007 13.094 1.00 2.41 C ATOM 4 O MET A 1 -10.067 0.984 14.195 1.00 2.60 O ATOM 5 CB MET A 1 -12.753 0.748 14.360 1.00 3.84 C ATOM 6 CG MET A 1 -14.271 0.692 14.346 1.00 4.40 C ATOM 7 SD MET A 1 -14.972 0.619 16.007 1.00 5.09 S ATOM 8 CE MET A 1 -16.722 0.564 15.627 1.00 5.69 C ATOM 0 H1 MET A 1 -13.262 -0.429 11.727 1.00 3.80 H new ATOM 0 H2 MET A 1 -11.589 -0.674 11.577 1.00 3.80 H new ATOM 0 H3 MET A 1 -12.417 -1.280 12.929 1.00 3.80 H new ATOM 0 HA MET A 1 -12.566 1.579 12.396 1.00 3.21 H new ATOM 0 HB2 MET A 1 -12.374 -0.114 14.909 1.00 3.84 H new ATOM 0 HB3 MET A 1 -12.438 1.637 14.906 1.00 3.84 H new ATOM 0 HG2 MET A 1 -14.659 1.569 13.829 1.00 4.40 H new ATOM 0 HG3 MET A 1 -14.594 -0.181 13.779 1.00 4.40 H new ATOM 0 HE1 MET A 1 -17.294 0.516 16.554 1.00 5.69 H new ATOM 0 HE2 MET A 1 -17.002 1.460 15.073 1.00 5.69 H new ATOM 0 HE3 MET A 1 -16.936 -0.318 15.023 1.00 5.69 H new ATOM 20 N ALA A 2 -9.971 1.217 11.960 1.00 1.66 N ATOM 21 CA ALA A 2 -8.557 1.508 11.936 1.00 0.97 C ATOM 22 C ALA A 2 -8.311 2.914 12.434 1.00 0.80 C ATOM 23 O ALA A 2 -8.246 3.877 11.676 1.00 0.90 O ATOM 24 CB ALA A 2 -7.949 1.306 10.565 1.00 0.82 C ATOM 0 H ALA A 2 -10.410 1.190 11.040 1.00 1.66 H new ATOM 0 HA ALA A 2 -8.064 0.800 12.602 1.00 0.97 H new ATOM 0 HB1 ALA A 2 -6.885 1.538 10.601 1.00 0.82 H new ATOM 0 HB2 ALA A 2 -8.084 0.269 10.256 1.00 0.82 H new ATOM 0 HB3 ALA A 2 -8.440 1.965 9.849 1.00 0.82 H new ATOM 30 N SER A 3 -8.287 3.000 13.737 1.00 0.79 N ATOM 31 CA SER A 3 -7.733 4.109 14.494 1.00 0.78 C ATOM 32 C SER A 3 -6.299 4.428 13.977 1.00 0.65 C ATOM 33 O SER A 3 -5.993 4.088 12.842 1.00 0.83 O ATOM 34 CB SER A 3 -7.774 3.695 15.970 1.00 0.97 C ATOM 35 OG SER A 3 -8.962 2.964 16.248 1.00 1.18 O ATOM 0 H SER A 3 -8.670 2.268 14.335 1.00 0.79 H new ATOM 0 HA SER A 3 -8.303 5.030 14.372 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.901 3.087 16.208 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.728 4.581 16.604 1.00 0.97 H new ATOM 0 HG SER A 3 -8.973 2.705 17.193 1.00 1.18 H new ATOM 41 N PRO A 4 -5.431 5.167 14.712 1.00 0.67 N ATOM 42 CA PRO A 4 -4.041 5.451 14.292 1.00 0.62 C ATOM 43 C PRO A 4 -3.307 4.380 13.438 1.00 0.46 C ATOM 44 O PRO A 4 -2.274 4.696 12.874 1.00 0.50 O ATOM 45 CB PRO A 4 -3.346 5.627 15.629 1.00 0.79 C ATOM 46 CG PRO A 4 -4.352 6.348 16.451 1.00 0.96 C ATOM 47 CD PRO A 4 -5.702 5.834 16.011 1.00 0.87 C ATOM 0 HA PRO A 4 -4.031 6.300 13.609 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -3.079 4.667 16.072 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.424 6.200 15.530 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -4.192 6.162 17.513 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -4.278 7.425 16.301 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -6.119 5.137 16.738 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.421 6.646 15.900 1.00 0.87 H new ATOM 55 N LEU A 5 -3.802 3.136 13.347 1.00 0.36 N ATOM 56 CA LEU A 5 -3.142 2.097 12.542 1.00 0.32 C ATOM 57 C LEU A 5 -3.017 2.498 11.085 1.00 0.30 C ATOM 58 O LEU A 5 -1.954 2.355 10.490 1.00 0.32 O ATOM 59 CB LEU A 5 -3.887 0.765 12.608 1.00 0.31 C ATOM 60 CG LEU A 5 -3.506 -0.251 11.515 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.261 -1.615 12.133 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.593 -0.358 10.451 1.00 0.27 C ATOM 0 H LEU A 5 -4.652 2.826 13.818 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.148 1.982 12.973 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.705 0.312 13.583 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.957 0.961 12.543 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.593 0.103 11.036 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -2.992 -2.326 11.351 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.448 -1.546 12.856 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.166 -1.954 12.636 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.292 -1.083 9.695 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.525 -0.682 10.914 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.740 0.615 9.982 1.00 0.27 H new ATOM 74 N GLU A 6 -4.097 2.975 10.496 1.00 0.34 N ATOM 75 CA GLU A 6 -4.057 3.337 9.097 1.00 0.42 C ATOM 76 C GLU A 6 -3.124 4.545 8.914 1.00 0.33 C ATOM 77 O GLU A 6 -2.341 4.655 7.958 1.00 0.31 O ATOM 78 CB GLU A 6 -5.455 3.622 8.577 1.00 0.62 C ATOM 79 CG GLU A 6 -5.836 2.796 7.348 1.00 1.80 C ATOM 80 CD GLU A 6 -5.858 1.298 7.607 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.776 0.682 7.611 1.00 3.61 O ATOM 82 OE2 GLU A 6 -6.956 0.737 7.804 1.00 3.32 O ATOM 0 H GLU A 6 -4.996 3.118 10.956 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.664 2.504 8.514 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -6.175 3.427 9.372 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.532 4.681 8.330 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.819 3.111 6.999 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -5.130 3.008 6.545 1.00 1.80 H new ATOM 89 N LYS A 7 -3.176 5.441 9.884 1.00 0.35 N ATOM 90 CA LYS A 7 -2.246 6.554 9.941 1.00 0.36 C ATOM 91 C LYS A 7 -0.839 6.044 10.275 1.00 0.32 C ATOM 92 O LYS A 7 0.148 6.741 10.087 1.00 0.35 O ATOM 93 CB LYS A 7 -2.721 7.613 10.945 1.00 0.44 C ATOM 94 CG LYS A 7 -4.131 8.147 10.667 1.00 0.63 C ATOM 95 CD LYS A 7 -4.208 9.152 9.507 1.00 0.79 C ATOM 96 CE LYS A 7 -3.877 8.535 8.153 1.00 1.78 C ATOM 97 NZ LYS A 7 -2.494 8.868 7.711 1.00 2.82 N ATOM 0 H LYS A 7 -3.855 5.419 10.645 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.208 7.035 8.963 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.696 7.186 11.947 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -2.019 8.447 10.937 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.789 7.306 10.448 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.512 8.623 11.571 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -5.211 9.577 9.470 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.520 9.975 9.702 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -3.988 7.452 8.211 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -4.591 8.889 7.409 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -2.224 8.250 6.919 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -2.457 9.861 7.403 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -1.833 8.726 8.502 1.00 2.82 H new ATOM 111 N ALA A 8 -0.766 4.833 10.809 1.00 0.29 N ATOM 112 CA ALA A 8 0.505 4.180 11.075 1.00 0.29 C ATOM 113 C ALA A 8 1.102 3.616 9.795 1.00 0.27 C ATOM 114 O ALA A 8 2.310 3.429 9.710 1.00 0.28 O ATOM 115 CB ALA A 8 0.367 3.095 12.127 1.00 0.32 C ATOM 0 H ALA A 8 -1.582 4.279 11.068 1.00 0.29 H new ATOM 0 HA ALA A 8 1.185 4.936 11.468 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.337 2.630 12.299 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.005 3.534 13.057 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.341 2.341 11.782 1.00 0.32 H new ATOM 121 N LEU A 9 0.265 3.324 8.795 1.00 0.26 N ATOM 122 CA LEU A 9 0.806 3.035 7.467 1.00 0.26 C ATOM 123 C LEU A 9 1.481 4.302 6.967 1.00 0.26 C ATOM 124 O LEU A 9 2.456 4.275 6.228 1.00 0.26 O ATOM 125 CB LEU A 9 -0.260 2.617 6.448 1.00 0.26 C ATOM 126 CG LEU A 9 -1.550 2.032 7.008 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.525 1.777 5.879 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.303 0.756 7.793 1.00 0.27 C ATOM 0 H LEU A 9 -0.751 3.282 8.874 1.00 0.26 H new ATOM 0 HA LEU A 9 1.494 2.195 7.562 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.515 3.489 5.846 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.182 1.883 5.775 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.975 2.758 7.701 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.447 1.358 6.282 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.745 2.715 5.369 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.086 1.074 5.171 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.250 0.374 8.174 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.847 0.011 7.142 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.635 0.966 8.628 1.00 0.27 H new ATOM 140 N ASP A 10 0.939 5.431 7.386 1.00 0.27 N ATOM 141 CA ASP A 10 1.604 6.716 7.128 1.00 0.29 C ATOM 142 C ASP A 10 2.946 6.770 7.876 1.00 0.27 C ATOM 143 O ASP A 10 3.935 7.344 7.401 1.00 0.28 O ATOM 144 CB ASP A 10 0.715 7.892 7.536 1.00 0.33 C ATOM 145 CG ASP A 10 1.306 9.234 7.155 1.00 0.38 C ATOM 146 OD1 ASP A 10 2.149 9.758 7.910 1.00 1.18 O ATOM 147 OD2 ASP A 10 0.910 9.781 6.105 1.00 1.16 O ATOM 0 H ASP A 10 0.059 5.496 7.897 1.00 0.27 H new ATOM 0 HA ASP A 10 1.789 6.797 6.057 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.262 7.783 7.065 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.554 7.864 8.614 1.00 0.33 H new ATOM 152 N VAL A 11 2.989 6.147 9.045 1.00 0.27 N ATOM 153 CA VAL A 11 4.235 5.993 9.777 1.00 0.27 C ATOM 154 C VAL A 11 5.200 5.109 8.982 1.00 0.27 C ATOM 155 O VAL A 11 6.415 5.231 9.113 1.00 0.29 O ATOM 156 CB VAL A 11 3.986 5.405 11.186 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.294 5.126 11.903 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.129 6.354 12.009 1.00 0.31 C ATOM 0 H VAL A 11 2.175 5.741 9.506 1.00 0.27 H new ATOM 0 HA VAL A 11 4.684 6.978 9.907 1.00 0.27 H new ATOM 0 HB VAL A 11 3.457 4.460 11.067 1.00 0.28 H new ATOM 0 HG11 VAL A 11 5.087 4.713 12.890 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.880 4.410 11.326 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.856 6.054 12.008 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.961 5.928 12.998 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.639 7.312 12.108 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.171 6.503 11.511 1.00 0.31 H new ATOM 168 N MET A 12 4.647 4.241 8.138 1.00 0.26 N ATOM 169 CA MET A 12 5.444 3.447 7.204 1.00 0.29 C ATOM 170 C MET A 12 6.108 4.354 6.161 1.00 0.29 C ATOM 171 O MET A 12 7.205 4.060 5.678 1.00 0.34 O ATOM 172 CB MET A 12 4.578 2.349 6.555 1.00 0.32 C ATOM 173 CG MET A 12 4.887 2.052 5.094 1.00 0.98 C ATOM 174 SD MET A 12 4.117 3.229 3.956 1.00 2.23 S ATOM 175 CE MET A 12 4.497 2.493 2.370 1.00 2.75 C ATOM 0 H MET A 12 3.643 4.069 8.081 1.00 0.26 H new ATOM 0 HA MET A 12 6.242 2.947 7.752 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.697 1.430 7.128 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.531 2.641 6.635 1.00 0.32 H new ATOM 0 HG2 MET A 12 5.967 2.066 4.947 1.00 0.98 H new ATOM 0 HG3 MET A 12 4.545 1.045 4.853 1.00 0.98 H new ATOM 0 HE1 MET A 12 4.500 3.266 1.601 1.00 2.75 H new ATOM 0 HE2 MET A 12 5.479 2.021 2.414 1.00 2.75 H new ATOM 0 HE3 MET A 12 3.744 1.743 2.127 1.00 2.75 H new ATOM 185 N VAL A 13 5.450 5.465 5.820 1.00 0.29 N ATOM 186 CA VAL A 13 6.104 6.508 5.022 1.00 0.31 C ATOM 187 C VAL A 13 7.401 6.923 5.714 1.00 0.27 C ATOM 188 O VAL A 13 8.467 7.027 5.090 1.00 0.27 O ATOM 189 CB VAL A 13 5.220 7.769 4.821 1.00 0.37 C ATOM 190 CG1 VAL A 13 5.954 8.811 3.989 1.00 0.41 C ATOM 191 CG2 VAL A 13 3.892 7.424 4.165 1.00 0.42 C ATOM 0 H VAL A 13 4.483 5.665 6.077 1.00 0.29 H new ATOM 0 HA VAL A 13 6.293 6.084 4.036 1.00 0.31 H new ATOM 0 HB VAL A 13 5.013 8.181 5.808 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.318 9.687 3.859 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.873 9.102 4.498 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.197 8.392 3.013 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.301 8.331 4.041 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.074 6.973 3.189 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.348 6.720 4.794 1.00 0.42 H new ATOM 201 N SER A 14 7.304 7.127 7.019 1.00 0.26 N ATOM 202 CA SER A 14 8.468 7.494 7.817 1.00 0.26 C ATOM 203 C SER A 14 9.437 6.319 7.990 1.00 0.25 C ATOM 204 O SER A 14 10.644 6.533 8.133 1.00 0.26 O ATOM 205 CB SER A 14 8.022 8.038 9.174 1.00 0.31 C ATOM 206 OG SER A 14 7.135 9.135 9.014 1.00 1.18 O ATOM 0 H SER A 14 6.436 7.046 7.548 1.00 0.26 H new ATOM 0 HA SER A 14 9.008 8.275 7.282 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.531 7.249 9.743 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.894 8.351 9.749 1.00 0.31 H new ATOM 0 HG SER A 14 6.861 9.466 9.895 1.00 1.18 H new ATOM 212 N THR A 15 8.911 5.093 7.978 1.00 0.28 N ATOM 213 CA THR A 15 9.738 3.888 7.947 1.00 0.32 C ATOM 214 C THR A 15 10.799 4.027 6.852 1.00 0.28 C ATOM 215 O THR A 15 12.010 3.898 7.084 1.00 0.29 O ATOM 216 CB THR A 15 8.877 2.638 7.645 1.00 0.45 C ATOM 217 OG1 THR A 15 7.981 2.362 8.730 1.00 0.59 O ATOM 218 CG2 THR A 15 9.745 1.423 7.378 1.00 0.93 C ATOM 0 H THR A 15 7.908 4.909 7.989 1.00 0.28 H new ATOM 0 HA THR A 15 10.209 3.770 8.923 1.00 0.32 H new ATOM 0 HB THR A 15 8.295 2.853 6.749 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.810 1.398 8.776 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.111 0.561 7.169 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.388 1.617 6.519 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.361 1.216 8.253 1.00 0.93 H new ATOM 226 N PHE A 16 10.310 4.340 5.663 1.00 0.27 N ATOM 227 CA PHE A 16 11.139 4.455 4.480 1.00 0.27 C ATOM 228 C PHE A 16 12.206 5.528 4.607 1.00 0.29 C ATOM 229 O PHE A 16 13.394 5.226 4.527 1.00 0.37 O ATOM 230 CB PHE A 16 10.260 4.738 3.276 1.00 0.34 C ATOM 231 CG PHE A 16 11.018 4.966 1.999 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.365 3.903 1.187 1.00 1.73 C ATOM 233 CD2 PHE A 16 11.374 6.248 1.609 1.00 1.65 C ATOM 234 CE1 PHE A 16 12.056 4.111 0.012 1.00 2.34 C ATOM 235 CE2 PHE A 16 12.063 6.463 0.436 1.00 2.27 C ATOM 236 CZ PHE A 16 12.405 5.392 -0.363 1.00 2.36 C ATOM 0 H PHE A 16 9.321 4.522 5.493 1.00 0.27 H new ATOM 0 HA PHE A 16 11.662 3.507 4.356 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.576 3.901 3.135 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.649 5.617 3.485 1.00 0.34 H new ATOM 0 HD1 PHE A 16 11.092 2.899 1.476 1.00 1.73 H new ATOM 0 HD2 PHE A 16 11.108 7.088 2.233 1.00 1.65 H new ATOM 0 HE1 PHE A 16 12.324 3.272 -0.614 1.00 2.34 H new ATOM 0 HE2 PHE A 16 12.334 7.466 0.143 1.00 2.27 H new ATOM 0 HZ PHE A 16 12.946 5.556 -1.283 1.00 2.36 H new ATOM 246 N HIS A 17 11.787 6.777 4.798 1.00 0.30 N ATOM 247 CA HIS A 17 12.731 7.897 4.832 1.00 0.40 C ATOM 248 C HIS A 17 13.780 7.709 5.916 1.00 0.36 C ATOM 249 O HIS A 17 14.867 8.281 5.848 1.00 0.42 O ATOM 250 CB HIS A 17 12.005 9.223 5.036 1.00 0.59 C ATOM 251 CG HIS A 17 11.439 9.799 3.777 1.00 0.81 C ATOM 252 ND1 HIS A 17 10.179 10.344 3.699 1.00 1.53 N ATOM 253 CD2 HIS A 17 11.984 9.942 2.545 1.00 1.78 C ATOM 254 CE1 HIS A 17 9.972 10.795 2.479 1.00 2.03 C ATOM 255 NE2 HIS A 17 11.050 10.564 1.760 1.00 2.20 N ATOM 0 H HIS A 17 10.810 7.040 4.931 1.00 0.30 H new ATOM 0 HA HIS A 17 13.235 7.919 3.866 1.00 0.40 H new ATOM 0 HB2 HIS A 17 11.198 9.078 5.754 1.00 0.59 H new ATOM 0 HB3 HIS A 17 12.697 9.942 5.475 1.00 0.59 H new ATOM 0 HD2 HIS A 17 12.970 9.625 2.239 1.00 1.78 H new ATOM 0 HE1 HIS A 17 9.070 11.274 2.128 1.00 2.03 H new ATOM 0 HE2 HIS A 17 11.170 10.809 0.777 1.00 2.20 H new ATOM 264 N LYS A 18 13.447 6.899 6.905 1.00 0.34 N ATOM 265 CA LYS A 18 14.375 6.569 7.966 1.00 0.39 C ATOM 266 C LYS A 18 15.536 5.735 7.437 1.00 0.37 C ATOM 267 O LYS A 18 16.695 6.021 7.727 1.00 0.47 O ATOM 268 CB LYS A 18 13.644 5.819 9.071 1.00 0.43 C ATOM 269 CG LYS A 18 14.555 5.313 10.178 1.00 0.55 C ATOM 270 CD LYS A 18 13.794 5.154 11.482 1.00 0.73 C ATOM 271 CE LYS A 18 12.551 4.297 11.312 1.00 0.80 C ATOM 272 NZ LYS A 18 11.747 4.234 12.559 1.00 1.28 N ATOM 0 H LYS A 18 12.533 6.456 6.993 1.00 0.34 H new ATOM 0 HA LYS A 18 14.785 7.495 8.370 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.890 6.476 9.506 1.00 0.43 H new ATOM 0 HB3 LYS A 18 13.115 4.972 8.634 1.00 0.43 H new ATOM 0 HG2 LYS A 18 14.989 4.356 9.887 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.382 6.008 10.319 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.446 4.703 12.230 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.509 6.137 11.858 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.939 4.701 10.506 1.00 0.80 H new ATOM 0 HE3 LYS A 18 12.843 3.289 11.017 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 10.908 3.640 12.401 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.322 3.825 13.323 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 11.447 5.193 12.827 1.00 1.28 H new ATOM 286 N TYR A 19 15.221 4.705 6.657 1.00 0.29 N ATOM 287 CA TYR A 19 16.251 3.823 6.115 1.00 0.29 C ATOM 288 C TYR A 19 16.905 4.402 4.870 1.00 0.33 C ATOM 289 O TYR A 19 18.114 4.286 4.698 1.00 0.44 O ATOM 290 CB TYR A 19 15.686 2.443 5.817 1.00 0.31 C ATOM 291 CG TYR A 19 15.477 1.620 7.061 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.344 1.787 7.841 1.00 1.23 C ATOM 293 CD2 TYR A 19 16.419 0.683 7.461 1.00 1.28 C ATOM 294 CE1 TYR A 19 14.155 1.043 8.983 1.00 1.26 C ATOM 295 CE2 TYR A 19 16.236 -0.068 8.603 1.00 1.35 C ATOM 296 CZ TYR A 19 15.101 0.115 9.359 1.00 0.62 C ATOM 297 OH TYR A 19 14.904 -0.633 10.495 1.00 0.79 O ATOM 0 H TYR A 19 14.268 4.461 6.387 1.00 0.29 H new ATOM 0 HA TYR A 19 17.021 3.731 6.881 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.736 2.549 5.293 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.363 1.915 5.146 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.598 2.512 7.548 1.00 1.23 H new ATOM 0 HD2 TYR A 19 17.310 0.539 6.868 1.00 1.28 H new ATOM 0 HE1 TYR A 19 13.268 1.186 9.582 1.00 1.26 H new ATOM 0 HE2 TYR A 19 16.978 -0.794 8.902 1.00 1.35 H new ATOM 0 HH TYR A 19 14.031 -1.076 10.448 1.00 0.79 H new ATOM 307 N SER A 20 16.114 5.020 4.008 1.00 0.29 N ATOM 308 CA SER A 20 16.641 5.618 2.790 1.00 0.32 C ATOM 309 C SER A 20 17.514 6.819 3.115 1.00 0.40 C ATOM 310 O SER A 20 18.384 7.194 2.343 1.00 0.60 O ATOM 311 CB SER A 20 15.494 6.052 1.887 1.00 0.35 C ATOM 312 OG SER A 20 14.570 4.999 1.723 1.00 0.86 O ATOM 0 H SER A 20 15.106 5.121 4.128 1.00 0.29 H new ATOM 0 HA SER A 20 17.248 4.872 2.276 1.00 0.32 H new ATOM 0 HB2 SER A 20 14.993 6.920 2.317 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.883 6.357 0.916 1.00 0.35 H new ATOM 0 HG SER A 20 13.763 5.338 1.283 1.00 0.86 H new ATOM 318 N GLY A 21 17.271 7.421 4.270 1.00 0.37 N ATOM 319 CA GLY A 21 18.026 8.587 4.664 1.00 0.43 C ATOM 320 C GLY A 21 19.223 8.237 5.517 1.00 0.41 C ATOM 321 O GLY A 21 19.657 9.041 6.346 1.00 0.46 O ATOM 0 H GLY A 21 16.563 7.121 4.940 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.361 9.118 3.773 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.377 9.268 5.215 1.00 0.43 H new ATOM 325 N LYS A 22 19.749 7.033 5.340 1.00 0.40 N ATOM 326 CA LYS A 22 20.939 6.626 6.070 1.00 0.46 C ATOM 327 C LYS A 22 22.181 6.752 5.187 1.00 0.52 C ATOM 328 O LYS A 22 23.141 7.431 5.555 1.00 0.65 O ATOM 329 CB LYS A 22 20.803 5.205 6.613 1.00 0.47 C ATOM 330 CG LYS A 22 19.532 4.960 7.404 1.00 0.60 C ATOM 331 CD LYS A 22 19.481 3.565 8.030 1.00 0.56 C ATOM 332 CE LYS A 22 19.706 2.438 7.023 1.00 0.49 C ATOM 333 NZ LYS A 22 21.149 2.178 6.779 1.00 1.08 N ATOM 0 H LYS A 22 19.375 6.329 4.704 1.00 0.40 H new ATOM 0 HA LYS A 22 21.051 7.295 6.923 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.839 4.504 5.779 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.661 4.988 7.249 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.450 5.709 8.191 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.671 5.090 6.748 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.237 3.499 8.813 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.512 3.425 8.509 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.232 1.527 7.389 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.221 2.694 6.081 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.310 1.153 6.708 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.439 2.636 5.892 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.709 2.562 7.567 1.00 1.08 H new ATOM 347 N GLU A 23 22.164 6.100 4.027 1.00 0.47 N ATOM 348 CA GLU A 23 23.261 6.195 3.068 1.00 0.55 C ATOM 349 C GLU A 23 22.709 6.376 1.650 1.00 0.58 C ATOM 350 O GLU A 23 21.552 6.066 1.387 1.00 0.64 O ATOM 351 CB GLU A 23 24.140 4.938 3.155 1.00 0.67 C ATOM 352 CG GLU A 23 25.362 4.957 2.249 1.00 1.15 C ATOM 353 CD GLU A 23 26.229 6.180 2.466 1.00 1.59 C ATOM 354 OE1 GLU A 23 27.099 6.146 3.357 1.00 1.96 O ATOM 355 OE2 GLU A 23 26.045 7.180 1.741 1.00 2.38 O ATOM 0 H GLU A 23 21.398 5.497 3.728 1.00 0.47 H new ATOM 0 HA GLU A 23 23.874 7.064 3.309 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.470 4.812 4.186 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.533 4.068 2.906 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.955 4.060 2.426 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.039 4.925 1.208 1.00 1.15 H new ATOM 362 N GLY A 24 23.537 6.899 0.754 1.00 0.72 N ATOM 363 CA GLY A 24 23.107 7.139 -0.609 1.00 0.85 C ATOM 364 C GLY A 24 22.237 8.370 -0.718 1.00 0.79 C ATOM 365 O GLY A 24 22.620 9.451 -0.259 1.00 0.92 O ATOM 0 H GLY A 24 24.503 7.162 0.949 1.00 0.72 H new ATOM 0 HA2 GLY A 24 23.981 7.254 -1.250 1.00 0.85 H new ATOM 0 HA3 GLY A 24 22.556 6.272 -0.974 1.00 0.85 H new ATOM 369 N ASP A 25 21.067 8.210 -1.319 1.00 0.71 N ATOM 370 CA ASP A 25 20.101 9.299 -1.429 1.00 0.70 C ATOM 371 C ASP A 25 19.318 9.422 -0.137 1.00 0.73 C ATOM 372 O ASP A 25 19.787 9.033 0.924 1.00 1.34 O ATOM 373 CB ASP A 25 19.129 9.065 -2.595 1.00 0.73 C ATOM 374 CG ASP A 25 19.795 9.206 -3.949 1.00 1.04 C ATOM 375 OD1 ASP A 25 20.662 8.377 -4.287 1.00 1.65 O ATOM 376 OD2 ASP A 25 19.455 10.154 -4.684 1.00 1.75 O ATOM 0 H ASP A 25 20.761 7.333 -1.740 1.00 0.71 H new ATOM 0 HA ASP A 25 20.651 10.221 -1.619 1.00 0.70 H new ATOM 0 HB2 ASP A 25 18.698 8.068 -2.509 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.305 9.775 -2.524 1.00 0.73 H new ATOM 381 N LYS A 26 18.139 9.994 -0.229 1.00 0.61 N ATOM 382 CA LYS A 26 17.246 10.093 0.905 1.00 0.56 C ATOM 383 C LYS A 26 15.861 9.585 0.511 1.00 0.49 C ATOM 384 O LYS A 26 14.975 9.386 1.347 1.00 0.55 O ATOM 385 CB LYS A 26 17.186 11.555 1.353 1.00 0.71 C ATOM 386 CG LYS A 26 16.024 11.873 2.262 1.00 1.03 C ATOM 387 CD LYS A 26 16.195 11.260 3.641 1.00 0.70 C ATOM 388 CE LYS A 26 15.067 11.664 4.577 1.00 0.94 C ATOM 389 NZ LYS A 26 14.990 13.137 4.747 1.00 1.56 N ATOM 0 H LYS A 26 17.772 10.403 -1.089 1.00 0.61 H new ATOM 0 HA LYS A 26 17.609 9.482 1.731 1.00 0.56 H new ATOM 0 HB2 LYS A 26 18.114 11.805 1.867 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.128 12.192 0.471 1.00 0.71 H new ATOM 0 HG2 LYS A 26 15.923 12.954 2.356 1.00 1.03 H new ATOM 0 HG3 LYS A 26 15.102 11.504 1.813 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.226 10.174 3.556 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.149 11.574 4.064 1.00 0.70 H new ATOM 0 HE2 LYS A 26 14.120 11.294 4.185 1.00 0.94 H new ATOM 0 HE3 LYS A 26 15.216 11.194 5.549 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 14.436 13.360 5.598 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 15.949 13.526 4.847 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 14.531 13.559 3.915 1.00 1.56 H new ATOM 403 N PHE A 27 15.708 9.312 -0.772 1.00 0.45 N ATOM 404 CA PHE A 27 14.396 9.090 -1.349 1.00 0.44 C ATOM 405 C PHE A 27 14.323 7.708 -1.975 1.00 0.40 C ATOM 406 O PHE A 27 13.339 7.365 -2.633 1.00 0.40 O ATOM 407 CB PHE A 27 14.115 10.155 -2.414 1.00 0.50 C ATOM 408 CG PHE A 27 14.596 11.534 -2.042 1.00 0.78 C ATOM 409 CD1 PHE A 27 13.878 12.322 -1.159 1.00 1.28 C ATOM 410 CD2 PHE A 27 15.772 12.038 -2.576 1.00 1.76 C ATOM 411 CE1 PHE A 27 14.320 13.586 -0.817 1.00 1.59 C ATOM 412 CE2 PHE A 27 16.218 13.300 -2.238 1.00 2.09 C ATOM 413 CZ PHE A 27 15.492 14.076 -1.358 1.00 1.65 C ATOM 0 H PHE A 27 16.479 9.239 -1.436 1.00 0.45 H new ATOM 0 HA PHE A 27 13.647 9.159 -0.560 1.00 0.44 H new ATOM 0 HB2 PHE A 27 14.590 9.855 -3.348 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.042 10.194 -2.601 1.00 0.50 H new ATOM 0 HD1 PHE A 27 12.961 11.944 -0.732 1.00 1.28 H new ATOM 0 HD2 PHE A 27 16.346 11.436 -3.265 1.00 1.76 H new ATOM 0 HE1 PHE A 27 13.749 14.190 -0.127 1.00 1.59 H new ATOM 0 HE2 PHE A 27 17.135 13.680 -2.663 1.00 2.09 H new ATOM 0 HZ PHE A 27 15.839 15.064 -1.093 1.00 1.65 H new ATOM 423 N LYS A 28 15.368 6.917 -1.759 1.00 0.39 N ATOM 424 CA LYS A 28 15.466 5.594 -2.353 1.00 0.36 C ATOM 425 C LYS A 28 16.273 4.660 -1.478 1.00 0.34 C ATOM 426 O LYS A 28 17.242 5.064 -0.836 1.00 0.38 O ATOM 427 CB LYS A 28 16.107 5.645 -3.737 1.00 0.40 C ATOM 428 CG LYS A 28 15.263 6.301 -4.811 1.00 0.49 C ATOM 429 CD LYS A 28 15.838 6.010 -6.181 1.00 0.56 C ATOM 430 CE LYS A 28 14.991 6.602 -7.291 1.00 0.86 C ATOM 431 NZ LYS A 28 15.436 6.135 -8.629 1.00 1.70 N ATOM 0 H LYS A 28 16.162 7.173 -1.173 1.00 0.39 H new ATOM 0 HA LYS A 28 14.447 5.219 -2.445 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.054 6.180 -3.663 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.340 4.627 -4.050 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.239 5.933 -4.753 1.00 0.49 H new ATOM 0 HG3 LYS A 28 15.225 7.378 -4.646 1.00 0.49 H new ATOM 0 HD2 LYS A 28 16.849 6.413 -6.243 1.00 0.56 H new ATOM 0 HD3 LYS A 28 15.915 4.932 -6.320 1.00 0.56 H new ATOM 0 HE2 LYS A 28 13.947 6.328 -7.138 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.044 7.690 -7.249 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 15.298 6.895 -9.325 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 16.443 5.880 -8.590 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 14.879 5.303 -8.909 1.00 1.70 H new ATOM 445 N LEU A 29 15.868 3.406 -1.475 1.00 0.31 N ATOM 446 CA LEU A 29 16.555 2.371 -0.739 1.00 0.28 C ATOM 447 C LEU A 29 17.483 1.599 -1.645 1.00 0.31 C ATOM 448 O LEU A 29 17.047 0.827 -2.499 1.00 0.33 O ATOM 449 CB LEU A 29 15.561 1.402 -0.117 1.00 0.26 C ATOM 450 CG LEU A 29 14.706 1.975 0.995 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.468 1.127 1.169 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.497 2.032 2.292 1.00 0.25 C ATOM 0 H LEU A 29 15.049 3.078 -1.986 1.00 0.31 H new ATOM 0 HA LEU A 29 17.133 2.856 0.048 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.904 1.028 -0.902 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.110 0.545 0.274 1.00 0.26 H new ATOM 0 HG LEU A 29 14.408 2.990 0.731 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.854 1.540 1.969 1.00 0.28 H new ATOM 0 HD12 LEU A 29 12.898 1.121 0.240 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.758 0.108 1.424 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.871 2.446 3.082 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.814 1.027 2.569 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.374 2.665 2.156 1.00 0.25 H new ATOM 464 N ASN A 30 18.755 1.813 -1.440 1.00 0.32 N ATOM 465 CA ASN A 30 19.791 1.030 -2.073 1.00 0.36 C ATOM 466 C ASN A 30 19.752 -0.357 -1.460 1.00 0.33 C ATOM 467 O ASN A 30 19.219 -0.498 -0.364 1.00 0.30 O ATOM 468 CB ASN A 30 21.127 1.720 -1.821 1.00 0.42 C ATOM 469 CG ASN A 30 21.291 2.101 -0.358 1.00 0.44 C ATOM 470 OD1 ASN A 30 21.930 1.386 0.411 1.00 0.56 O ATOM 471 ND2 ASN A 30 20.672 3.211 0.044 1.00 0.43 N ATOM 0 H ASN A 30 19.109 2.544 -0.822 1.00 0.32 H new ATOM 0 HA ASN A 30 19.648 0.944 -3.150 1.00 0.36 H new ATOM 0 HB2 ASN A 30 21.941 1.059 -2.119 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.199 2.614 -2.441 1.00 0.42 H new ATOM 0 HD21 ASN A 30 20.718 3.495 1.023 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.152 3.776 -0.627 1.00 0.43 H new ATOM 478 N LYS A 31 20.280 -1.378 -2.143 1.00 0.35 N ATOM 479 CA LYS A 31 20.140 -2.754 -1.648 1.00 0.34 C ATOM 480 C LYS A 31 20.509 -2.854 -0.181 1.00 0.31 C ATOM 481 O LYS A 31 19.825 -3.521 0.574 1.00 0.31 O ATOM 482 CB LYS A 31 20.980 -3.764 -2.426 1.00 0.41 C ATOM 483 CG LYS A 31 20.351 -4.213 -3.734 1.00 0.68 C ATOM 484 CD LYS A 31 21.119 -5.360 -4.383 1.00 0.71 C ATOM 485 CE LYS A 31 22.444 -4.912 -4.990 1.00 1.15 C ATOM 486 NZ LYS A 31 23.514 -4.714 -3.971 1.00 1.99 N ATOM 0 H LYS A 31 20.796 -1.285 -3.018 1.00 0.35 H new ATOM 0 HA LYS A 31 19.088 -3.002 -1.791 1.00 0.34 H new ATOM 0 HB2 LYS A 31 21.956 -3.325 -2.636 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.152 -4.638 -1.798 1.00 0.41 H new ATOM 0 HG2 LYS A 31 19.323 -4.525 -3.552 1.00 0.68 H new ATOM 0 HG3 LYS A 31 20.311 -3.370 -4.423 1.00 0.68 H new ATOM 0 HD2 LYS A 31 21.308 -6.133 -3.638 1.00 0.71 H new ATOM 0 HD3 LYS A 31 20.502 -5.811 -5.160 1.00 0.71 H new ATOM 0 HE2 LYS A 31 22.774 -5.655 -5.716 1.00 1.15 H new ATOM 0 HE3 LYS A 31 22.291 -3.980 -5.534 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 23.676 -3.696 -3.831 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.220 -5.145 -3.071 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 24.393 -5.163 -4.299 1.00 1.99 H new ATOM 500 N SER A 32 21.569 -2.160 0.210 1.00 0.34 N ATOM 501 CA SER A 32 22.050 -2.182 1.584 1.00 0.37 C ATOM 502 C SER A 32 20.913 -1.922 2.564 1.00 0.34 C ATOM 503 O SER A 32 20.621 -2.731 3.447 1.00 0.38 O ATOM 504 CB SER A 32 23.114 -1.101 1.757 1.00 0.45 C ATOM 505 OG SER A 32 24.071 -1.166 0.712 1.00 1.33 O ATOM 0 H SER A 32 22.118 -1.568 -0.414 1.00 0.34 H new ATOM 0 HA SER A 32 22.469 -3.167 1.790 1.00 0.37 H new ATOM 0 HB2 SER A 32 22.643 -0.118 1.764 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.611 -1.224 2.720 1.00 0.45 H new ATOM 0 HG SER A 32 24.743 -0.464 0.840 1.00 1.33 H new ATOM 511 N GLU A 33 20.270 -0.789 2.378 1.00 0.32 N ATOM 512 CA GLU A 33 19.238 -0.322 3.268 1.00 0.35 C ATOM 513 C GLU A 33 17.874 -0.898 2.929 1.00 0.30 C ATOM 514 O GLU A 33 17.005 -0.991 3.793 1.00 0.32 O ATOM 515 CB GLU A 33 19.283 1.174 3.191 1.00 0.45 C ATOM 516 CG GLU A 33 20.628 1.641 3.683 1.00 0.59 C ATOM 517 CD GLU A 33 20.855 3.110 3.578 1.00 1.50 C ATOM 518 OE1 GLU A 33 20.339 3.743 2.646 1.00 2.15 O ATOM 519 OE2 GLU A 33 21.591 3.620 4.434 1.00 2.32 O ATOM 0 H GLU A 33 20.454 -0.162 1.595 1.00 0.32 H new ATOM 0 HA GLU A 33 19.412 -0.660 4.290 1.00 0.35 H new ATOM 0 HB2 GLU A 33 19.120 1.505 2.165 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.487 1.608 3.796 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.741 1.343 4.725 1.00 0.59 H new ATOM 0 HG3 GLU A 33 21.405 1.126 3.118 1.00 0.59 H new ATOM 526 N LEU A 34 17.692 -1.279 1.673 1.00 0.30 N ATOM 527 CA LEU A 34 16.548 -2.072 1.271 1.00 0.33 C ATOM 528 C LEU A 34 16.516 -3.343 2.106 1.00 0.29 C ATOM 529 O LEU A 34 15.479 -3.738 2.629 1.00 0.30 O ATOM 530 CB LEU A 34 16.675 -2.421 -0.210 1.00 0.50 C ATOM 531 CG LEU A 34 15.554 -3.279 -0.786 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.280 -2.464 -0.890 1.00 1.01 C ATOM 533 CD2 LEU A 34 15.961 -3.839 -2.142 1.00 0.55 C ATOM 0 H LEU A 34 18.330 -1.047 0.912 1.00 0.30 H new ATOM 0 HA LEU A 34 15.626 -1.512 1.426 1.00 0.33 H new ATOM 0 HB2 LEU A 34 16.727 -1.493 -0.780 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.621 -2.942 -0.362 1.00 0.50 H new ATOM 0 HG LEU A 34 15.368 -4.120 -0.118 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.484 -3.084 -1.302 1.00 1.01 H new ATOM 0 HD12 LEU A 34 13.991 -2.113 0.101 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.448 -1.608 -1.543 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.151 -4.450 -2.541 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.168 -3.017 -2.828 1.00 0.55 H new ATOM 0 HD23 LEU A 34 16.855 -4.452 -2.029 1.00 0.55 H new ATOM 545 N LYS A 35 17.686 -3.953 2.235 1.00 0.29 N ATOM 546 CA LYS A 35 17.875 -5.135 3.059 1.00 0.29 C ATOM 547 C LYS A 35 17.491 -4.869 4.498 1.00 0.29 C ATOM 548 O LYS A 35 16.650 -5.566 5.059 1.00 0.31 O ATOM 549 CB LYS A 35 19.332 -5.577 2.997 1.00 0.32 C ATOM 550 CG LYS A 35 19.698 -6.179 1.662 1.00 0.39 C ATOM 551 CD LYS A 35 21.195 -6.212 1.406 1.00 0.52 C ATOM 552 CE LYS A 35 21.859 -7.427 2.020 1.00 0.70 C ATOM 553 NZ LYS A 35 22.052 -7.294 3.487 1.00 1.29 N ATOM 0 H LYS A 35 18.536 -3.638 1.767 1.00 0.29 H new ATOM 0 HA LYS A 35 17.230 -5.923 2.672 1.00 0.29 H new ATOM 0 HB2 LYS A 35 19.977 -4.721 3.195 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.521 -6.306 3.785 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.305 -7.194 1.610 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.214 -5.609 0.869 1.00 0.39 H new ATOM 0 HD2 LYS A 35 21.377 -6.206 0.331 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.650 -5.309 1.812 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.253 -8.310 1.816 1.00 0.70 H new ATOM 0 HE3 LYS A 35 22.826 -7.587 1.543 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 22.885 -7.844 3.779 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 22.197 -6.293 3.729 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 21.210 -7.651 3.982 1.00 1.29 H new ATOM 567 N GLU A 36 18.108 -3.858 5.089 1.00 0.29 N ATOM 568 CA GLU A 36 17.878 -3.550 6.488 1.00 0.32 C ATOM 569 C GLU A 36 16.420 -3.249 6.737 1.00 0.31 C ATOM 570 O GLU A 36 15.832 -3.743 7.688 1.00 0.39 O ATOM 571 CB GLU A 36 18.720 -2.367 6.934 1.00 0.36 C ATOM 572 CG GLU A 36 20.188 -2.573 6.678 1.00 0.37 C ATOM 573 CD GLU A 36 21.037 -1.411 7.156 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.256 -0.464 6.375 1.00 1.31 O ATOM 575 OE2 GLU A 36 21.490 -1.434 8.323 1.00 1.14 O ATOM 0 H GLU A 36 18.770 -3.239 4.621 1.00 0.29 H new ATOM 0 HA GLU A 36 18.168 -4.427 7.067 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.386 -1.471 6.412 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.561 -2.193 7.998 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.515 -3.485 7.177 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.349 -2.719 5.610 1.00 0.37 H new ATOM 582 N LEU A 37 15.844 -2.438 5.877 1.00 0.27 N ATOM 583 CA LEU A 37 14.445 -2.110 5.982 1.00 0.26 C ATOM 584 C LEU A 37 13.605 -3.377 5.863 1.00 0.27 C ATOM 585 O LEU A 37 12.840 -3.694 6.749 1.00 0.31 O ATOM 586 CB LEU A 37 14.072 -1.093 4.903 1.00 0.24 C ATOM 587 CG LEU A 37 12.676 -0.483 5.026 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.660 0.926 4.466 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.651 -1.348 4.312 1.00 0.50 C ATOM 0 H LEU A 37 16.327 -1.994 5.096 1.00 0.27 H new ATOM 0 HA LEU A 37 14.245 -1.663 6.956 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.805 -0.286 4.921 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.153 -1.576 3.929 1.00 0.24 H new ATOM 0 HG LEU A 37 12.414 -0.438 6.083 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.658 1.344 4.562 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.366 1.545 5.019 1.00 0.29 H new ATOM 0 HD13 LEU A 37 12.944 0.903 3.414 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.663 -0.898 4.410 1.00 0.50 H new ATOM 0 HD22 LEU A 37 11.911 -1.424 3.256 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.642 -2.343 4.756 1.00 0.50 H new ATOM 601 N LEU A 38 13.780 -4.124 4.791 1.00 0.27 N ATOM 602 CA LEU A 38 12.983 -5.327 4.575 1.00 0.29 C ATOM 603 C LEU A 38 13.099 -6.306 5.741 1.00 0.31 C ATOM 604 O LEU A 38 12.100 -6.809 6.236 1.00 0.40 O ATOM 605 CB LEU A 38 13.392 -6.008 3.277 1.00 0.32 C ATOM 606 CG LEU A 38 12.487 -5.720 2.083 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.104 -6.294 2.331 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.403 -4.225 1.810 1.00 0.43 C ATOM 0 H LEU A 38 14.461 -3.926 4.058 1.00 0.27 H new ATOM 0 HA LEU A 38 11.940 -5.018 4.506 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.407 -5.699 3.027 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.418 -7.085 3.442 1.00 0.32 H new ATOM 0 HG LEU A 38 12.916 -6.197 1.202 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.464 -6.084 1.474 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.178 -7.372 2.474 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.676 -5.838 3.224 1.00 0.31 H new ATOM 0 HD21 LEU A 38 11.752 -4.047 0.954 1.00 0.43 H new ATOM 0 HD22 LEU A 38 11.998 -3.717 2.686 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.399 -3.838 1.595 1.00 0.43 H new ATOM 620 N THR A 39 14.317 -6.573 6.165 1.00 0.32 N ATOM 621 CA THR A 39 14.569 -7.470 7.288 1.00 0.33 C ATOM 622 C THR A 39 13.969 -6.954 8.602 1.00 0.34 C ATOM 623 O THR A 39 13.420 -7.723 9.392 1.00 0.38 O ATOM 624 CB THR A 39 16.083 -7.677 7.474 1.00 0.33 C ATOM 625 OG1 THR A 39 16.742 -6.416 7.631 1.00 0.32 O ATOM 626 CG2 THR A 39 16.675 -8.398 6.279 1.00 0.35 C ATOM 0 H THR A 39 15.160 -6.180 5.747 1.00 0.32 H new ATOM 0 HA THR A 39 14.083 -8.416 7.047 1.00 0.33 H new ATOM 0 HB THR A 39 16.232 -8.281 8.369 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.795 -5.964 6.763 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.746 -8.534 6.430 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.197 -9.371 6.168 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.508 -7.807 5.378 1.00 0.35 H new ATOM 634 N ARG A 40 14.084 -5.655 8.823 1.00 0.34 N ATOM 635 CA ARG A 40 13.695 -5.033 10.091 1.00 0.37 C ATOM 636 C ARG A 40 12.239 -4.587 10.123 1.00 0.40 C ATOM 637 O ARG A 40 11.602 -4.632 11.177 1.00 0.47 O ATOM 638 CB ARG A 40 14.651 -3.872 10.365 1.00 0.37 C ATOM 639 CG ARG A 40 15.988 -4.338 10.908 1.00 0.63 C ATOM 640 CD ARG A 40 17.030 -3.240 10.847 1.00 0.56 C ATOM 641 NE ARG A 40 18.359 -3.742 11.186 1.00 1.16 N ATOM 642 CZ ARG A 40 19.495 -3.195 10.761 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.476 -2.044 10.102 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.652 -3.784 11.029 1.00 2.31 N ATOM 0 H ARG A 40 14.448 -4.997 8.134 1.00 0.34 H new ATOM 0 HA ARG A 40 13.772 -5.779 10.882 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.812 -3.312 9.444 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.191 -3.187 11.078 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.867 -4.668 11.940 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.333 -5.199 10.336 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.047 -2.809 9.846 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.757 -2.439 11.534 1.00 0.56 H new ATOM 0 HE ARG A 40 18.420 -4.564 11.787 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.589 -1.575 9.920 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.349 -1.628 9.778 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.670 -4.655 11.560 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.524 -3.366 10.704 1.00 2.31 H new ATOM 658 N GLU A 41 11.710 -4.166 8.990 1.00 0.40 N ATOM 659 CA GLU A 41 10.333 -3.713 8.925 1.00 0.46 C ATOM 660 C GLU A 41 9.426 -4.865 8.506 1.00 0.54 C ATOM 661 O GLU A 41 8.279 -4.941 8.916 1.00 0.85 O ATOM 662 CB GLU A 41 10.187 -2.558 7.922 1.00 0.52 C ATOM 663 CG GLU A 41 11.343 -1.556 7.902 1.00 0.53 C ATOM 664 CD GLU A 41 11.742 -1.013 9.257 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.563 -1.642 9.946 1.00 1.02 O ATOM 666 OE2 GLU A 41 11.261 0.065 9.647 1.00 1.30 O ATOM 0 H GLU A 41 12.212 -4.128 8.103 1.00 0.40 H new ATOM 0 HA GLU A 41 10.043 -3.359 9.914 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.076 -2.979 6.923 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.266 -2.020 8.145 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.211 -2.035 7.449 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.068 -0.720 7.259 1.00 0.53 H new ATOM 673 N LEU A 42 9.945 -5.790 7.717 1.00 0.40 N ATOM 674 CA LEU A 42 9.144 -6.924 7.273 1.00 0.41 C ATOM 675 C LEU A 42 9.838 -8.261 7.529 1.00 0.37 C ATOM 676 O LEU A 42 10.130 -9.007 6.588 1.00 0.36 O ATOM 677 CB LEU A 42 8.803 -6.775 5.792 1.00 0.44 C ATOM 678 CG LEU A 42 7.800 -5.667 5.479 1.00 0.50 C ATOM 679 CD1 LEU A 42 7.739 -5.409 3.988 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.423 -6.038 6.007 1.00 0.74 C ATOM 0 H LEU A 42 10.905 -5.782 7.373 1.00 0.40 H new ATOM 0 HA LEU A 42 8.225 -6.925 7.859 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.722 -6.582 5.239 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.404 -7.722 5.427 1.00 0.44 H new ATOM 0 HG LEU A 42 8.130 -4.753 5.973 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.019 -4.616 3.785 1.00 0.65 H new ATOM 0 HD12 LEU A 42 8.723 -5.105 3.631 1.00 0.65 H new ATOM 0 HD13 LEU A 42 7.431 -6.319 3.474 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.718 -5.239 5.777 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.090 -6.963 5.536 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.473 -6.178 7.087 1.00 0.74 H new ATOM 692 N PRO A 43 10.090 -8.594 8.811 1.00 0.40 N ATOM 693 CA PRO A 43 10.690 -9.873 9.204 1.00 0.44 C ATOM 694 C PRO A 43 9.961 -11.065 8.615 1.00 0.45 C ATOM 695 O PRO A 43 10.564 -12.087 8.315 1.00 0.49 O ATOM 696 CB PRO A 43 10.521 -9.889 10.717 1.00 0.51 C ATOM 697 CG PRO A 43 10.517 -8.458 11.106 1.00 0.48 C ATOM 698 CD PRO A 43 9.829 -7.736 9.985 1.00 0.44 C ATOM 0 HA PRO A 43 11.720 -9.951 8.857 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.593 -10.382 11.007 1.00 0.51 H new ATOM 0 HB3 PRO A 43 11.334 -10.430 11.201 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.991 -8.310 12.049 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.532 -8.087 11.246 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.761 -7.627 10.173 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.232 -6.733 9.847 1.00 0.44 H new ATOM 706 N SER A 44 8.655 -10.929 8.473 1.00 0.45 N ATOM 707 CA SER A 44 7.835 -12.001 7.953 1.00 0.47 C ATOM 708 C SER A 44 8.024 -12.152 6.446 1.00 0.44 C ATOM 709 O SER A 44 8.290 -13.259 5.953 1.00 0.45 O ATOM 710 CB SER A 44 6.373 -11.742 8.281 1.00 0.51 C ATOM 711 OG SER A 44 5.550 -12.814 7.859 1.00 0.59 O ATOM 0 H SER A 44 8.140 -10.082 8.713 1.00 0.45 H new ATOM 0 HA SER A 44 8.145 -12.933 8.426 1.00 0.47 H new ATOM 0 HB2 SER A 44 6.260 -11.596 9.355 1.00 0.51 H new ATOM 0 HB3 SER A 44 6.048 -10.820 7.798 1.00 0.51 H new ATOM 0 HG SER A 44 4.617 -12.619 8.085 1.00 0.59 H new ATOM 717 N PHE A 45 7.930 -11.028 5.726 1.00 0.42 N ATOM 718 CA PHE A 45 7.944 -11.047 4.263 1.00 0.41 C ATOM 719 C PHE A 45 9.173 -11.776 3.752 1.00 0.42 C ATOM 720 O PHE A 45 9.070 -12.753 3.011 1.00 0.46 O ATOM 721 CB PHE A 45 7.908 -9.636 3.673 1.00 0.45 C ATOM 722 CG PHE A 45 7.746 -9.653 2.178 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.518 -9.947 1.608 1.00 1.81 C ATOM 724 CD2 PHE A 45 8.824 -9.408 1.344 1.00 1.83 C ATOM 725 CE1 PHE A 45 6.367 -9.990 0.236 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.681 -9.454 -0.030 1.00 2.38 C ATOM 727 CZ PHE A 45 7.450 -9.744 -0.585 1.00 2.41 C ATOM 0 H PHE A 45 7.844 -10.097 6.134 1.00 0.42 H new ATOM 0 HA PHE A 45 7.045 -11.573 3.942 1.00 0.41 H new ATOM 0 HB2 PHE A 45 7.086 -9.077 4.120 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.828 -9.112 3.932 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.668 -10.145 2.245 1.00 1.81 H new ATOM 0 HD2 PHE A 45 9.788 -9.178 1.772 1.00 1.83 H new ATOM 0 HE1 PHE A 45 5.403 -10.216 -0.195 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.531 -9.263 -0.669 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.335 -9.778 -1.658 1.00 2.41 H new ATOM 737 N LEU A 46 10.335 -11.303 4.158 1.00 0.45 N ATOM 738 CA LEU A 46 11.574 -11.913 3.720 1.00 0.57 C ATOM 739 C LEU A 46 12.055 -12.984 4.677 1.00 0.65 C ATOM 740 O LEU A 46 12.986 -13.712 4.365 1.00 0.66 O ATOM 741 CB LEU A 46 12.654 -10.872 3.494 1.00 0.67 C ATOM 742 CG LEU A 46 12.463 -10.024 2.244 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.701 -9.202 1.994 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.146 -10.900 1.035 1.00 0.55 C ATOM 0 H LEU A 46 10.447 -10.506 4.784 1.00 0.45 H new ATOM 0 HA LEU A 46 11.362 -12.399 2.767 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.693 -10.213 4.362 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.619 -11.375 3.432 1.00 0.67 H new ATOM 0 HG LEU A 46 11.617 -9.354 2.401 1.00 0.57 H new ATOM 0 HD11 LEU A 46 13.561 -8.596 1.099 1.00 0.71 H new ATOM 0 HD12 LEU A 46 13.884 -8.550 2.848 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.555 -9.864 1.854 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.014 -10.271 0.155 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.968 -11.595 0.864 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.230 -11.460 1.222 1.00 0.55 H new ATOM 756 N GLY A 47 11.421 -13.105 5.832 1.00 0.74 N ATOM 757 CA GLY A 47 11.723 -14.225 6.705 1.00 0.90 C ATOM 758 C GLY A 47 11.480 -15.525 5.975 1.00 0.89 C ATOM 759 O GLY A 47 12.065 -16.562 6.288 1.00 0.99 O ATOM 0 H GLY A 47 10.712 -12.459 6.180 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.761 -14.171 7.035 1.00 0.90 H new ATOM 0 HA3 GLY A 47 11.102 -14.178 7.599 1.00 0.90 H new ATOM 763 N LYS A 48 10.603 -15.432 4.988 1.00 0.79 N ATOM 764 CA LYS A 48 10.323 -16.518 4.068 1.00 0.82 C ATOM 765 C LYS A 48 11.463 -16.726 3.061 1.00 0.78 C ATOM 766 O LYS A 48 11.706 -17.845 2.613 1.00 0.87 O ATOM 767 CB LYS A 48 9.053 -16.177 3.311 1.00 0.82 C ATOM 768 CG LYS A 48 8.302 -17.383 2.778 1.00 1.08 C ATOM 769 CD LYS A 48 7.041 -16.963 2.042 1.00 1.51 C ATOM 770 CE LYS A 48 6.253 -18.166 1.556 1.00 2.27 C ATOM 771 NZ LYS A 48 5.004 -17.761 0.859 1.00 3.17 N ATOM 0 H LYS A 48 10.060 -14.589 4.803 1.00 0.79 H new ATOM 0 HA LYS A 48 10.215 -17.439 4.640 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.392 -15.613 3.969 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.306 -15.523 2.477 1.00 0.82 H new ATOM 0 HG2 LYS A 48 8.947 -17.949 2.106 1.00 1.08 H new ATOM 0 HG3 LYS A 48 8.041 -18.046 3.603 1.00 1.08 H new ATOM 0 HD2 LYS A 48 6.417 -16.361 2.702 1.00 1.51 H new ATOM 0 HD3 LYS A 48 7.307 -16.334 1.193 1.00 1.51 H new ATOM 0 HE2 LYS A 48 6.871 -18.757 0.880 1.00 2.27 H new ATOM 0 HE3 LYS A 48 6.006 -18.805 2.403 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 4.493 -18.609 0.542 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 4.403 -17.218 1.511 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 5.241 -17.172 0.036 1.00 3.17 H new ATOM 785 N ARG A 49 12.163 -15.649 2.713 1.00 0.73 N ATOM 786 CA ARG A 49 13.127 -15.689 1.616 1.00 0.81 C ATOM 787 C ARG A 49 14.147 -14.546 1.728 1.00 0.74 C ATOM 788 O ARG A 49 13.952 -13.475 1.160 1.00 1.00 O ATOM 789 CB ARG A 49 12.365 -15.603 0.284 1.00 0.95 C ATOM 790 CG ARG A 49 13.023 -16.331 -0.883 1.00 1.17 C ATOM 791 CD ARG A 49 14.331 -15.688 -1.298 1.00 1.02 C ATOM 792 NE ARG A 49 14.840 -16.230 -2.560 1.00 1.61 N ATOM 793 CZ ARG A 49 16.086 -16.670 -2.746 1.00 1.87 C ATOM 794 NH1 ARG A 49 16.930 -16.756 -1.727 1.00 2.14 N ATOM 795 NH2 ARG A 49 16.479 -17.053 -3.956 1.00 2.50 N ATOM 0 H ARG A 49 12.082 -14.742 3.172 1.00 0.73 H new ATOM 0 HA ARG A 49 13.683 -16.625 1.664 1.00 0.81 H new ATOM 0 HB2 ARG A 49 11.364 -16.010 0.428 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.247 -14.553 0.017 1.00 0.95 H new ATOM 0 HG2 ARG A 49 13.203 -17.370 -0.605 1.00 1.17 H new ATOM 0 HG3 ARG A 49 12.340 -16.342 -1.733 1.00 1.17 H new ATOM 0 HD2 ARG A 49 14.189 -14.612 -1.398 1.00 1.02 H new ATOM 0 HD3 ARG A 49 15.073 -15.840 -0.514 1.00 1.02 H new ATOM 0 HE ARG A 49 14.198 -16.274 -3.351 1.00 1.61 H new ATOM 0 HH11 ARG A 49 16.629 -16.485 -0.791 1.00 2.14 H new ATOM 0 HH12 ARG A 49 17.880 -17.094 -1.879 1.00 2.14 H new ATOM 0 HH21 ARG A 49 15.829 -17.010 -4.741 1.00 2.50 H new ATOM 0 HH22 ARG A 49 17.431 -17.390 -4.100 1.00 2.50 H new ATOM 809 N THR A 50 15.234 -14.778 2.455 1.00 0.76 N ATOM 810 CA THR A 50 16.295 -13.785 2.581 1.00 0.73 C ATOM 811 C THR A 50 17.579 -14.282 1.935 1.00 0.82 C ATOM 812 O THR A 50 18.022 -15.401 2.196 1.00 1.33 O ATOM 813 CB THR A 50 16.591 -13.424 4.050 1.00 0.74 C ATOM 814 OG1 THR A 50 16.630 -14.613 4.851 1.00 0.84 O ATOM 815 CG2 THR A 50 15.551 -12.467 4.602 1.00 0.63 C ATOM 0 H THR A 50 15.404 -15.644 2.966 1.00 0.76 H new ATOM 0 HA THR A 50 15.938 -12.891 2.070 1.00 0.73 H new ATOM 0 HB THR A 50 17.562 -12.930 4.085 1.00 0.74 H new ATOM 0 HG1 THR A 50 17.073 -15.330 4.351 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.788 -12.232 5.640 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.551 -11.550 4.013 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.566 -12.931 4.551 1.00 0.63 H new ATOM 823 N ASP A 51 18.156 -13.448 1.085 1.00 0.57 N ATOM 824 CA ASP A 51 19.416 -13.750 0.417 1.00 0.62 C ATOM 825 C ASP A 51 19.799 -12.575 -0.461 1.00 0.58 C ATOM 826 O ASP A 51 18.919 -11.813 -0.857 1.00 0.55 O ATOM 827 CB ASP A 51 19.299 -15.020 -0.438 1.00 0.69 C ATOM 828 CG ASP A 51 20.589 -15.376 -1.149 1.00 1.26 C ATOM 829 OD1 ASP A 51 21.471 -15.991 -0.520 1.00 1.78 O ATOM 830 OD2 ASP A 51 20.722 -15.048 -2.345 1.00 2.01 O ATOM 0 H ASP A 51 17.764 -12.540 0.837 1.00 0.57 H new ATOM 0 HA ASP A 51 20.183 -13.923 1.172 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.999 -15.853 0.198 1.00 0.69 H new ATOM 0 HB3 ASP A 51 18.509 -14.883 -1.177 1.00 0.69 H new ATOM 835 N GLU A 52 21.080 -12.408 -0.750 1.00 0.67 N ATOM 836 CA GLU A 52 21.527 -11.305 -1.601 1.00 0.71 C ATOM 837 C GLU A 52 20.736 -11.279 -2.901 1.00 0.67 C ATOM 838 O GLU A 52 20.258 -10.227 -3.335 1.00 0.63 O ATOM 839 CB GLU A 52 23.014 -11.417 -1.908 1.00 0.87 C ATOM 840 CG GLU A 52 23.877 -11.353 -0.668 1.00 0.95 C ATOM 841 CD GLU A 52 23.617 -10.115 0.167 1.00 1.31 C ATOM 842 OE1 GLU A 52 23.889 -8.990 -0.308 1.00 1.81 O ATOM 843 OE2 GLU A 52 23.136 -10.264 1.312 1.00 1.91 O ATOM 0 H GLU A 52 21.827 -13.015 -0.413 1.00 0.67 H new ATOM 0 HA GLU A 52 21.353 -10.376 -1.058 1.00 0.71 H new ATOM 0 HB2 GLU A 52 23.203 -12.356 -2.428 1.00 0.87 H new ATOM 0 HB3 GLU A 52 23.301 -10.614 -2.586 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.697 -12.240 -0.060 1.00 0.95 H new ATOM 0 HG3 GLU A 52 24.927 -11.374 -0.960 1.00 0.95 H new ATOM 850 N ALA A 53 20.566 -12.456 -3.489 1.00 0.71 N ATOM 851 CA ALA A 53 19.821 -12.596 -4.731 1.00 0.76 C ATOM 852 C ALA A 53 18.350 -12.248 -4.526 1.00 0.66 C ATOM 853 O ALA A 53 17.700 -11.733 -5.424 1.00 0.69 O ATOM 854 CB ALA A 53 19.959 -14.007 -5.277 1.00 0.91 C ATOM 0 H ALA A 53 20.937 -13.332 -3.122 1.00 0.71 H new ATOM 0 HA ALA A 53 20.238 -11.898 -5.457 1.00 0.76 H new ATOM 0 HB1 ALA A 53 19.396 -14.094 -6.206 1.00 0.91 H new ATOM 0 HB2 ALA A 53 21.010 -14.222 -5.469 1.00 0.91 H new ATOM 0 HB3 ALA A 53 19.570 -14.719 -4.549 1.00 0.91 H new ATOM 860 N ALA A 54 17.839 -12.521 -3.336 1.00 0.60 N ATOM 861 CA ALA A 54 16.454 -12.215 -3.003 1.00 0.59 C ATOM 862 C ALA A 54 16.236 -10.711 -2.946 1.00 0.48 C ATOM 863 O ALA A 54 15.225 -10.206 -3.425 1.00 0.46 O ATOM 864 CB ALA A 54 16.072 -12.849 -1.678 1.00 0.64 C ATOM 0 H ALA A 54 18.366 -12.957 -2.579 1.00 0.60 H new ATOM 0 HA ALA A 54 15.817 -12.629 -3.785 1.00 0.59 H new ATOM 0 HB1 ALA A 54 15.034 -12.610 -1.446 1.00 0.64 H new ATOM 0 HB2 ALA A 54 16.189 -13.931 -1.745 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.718 -12.463 -0.890 1.00 0.64 H new ATOM 870 N PHE A 55 17.191 -10.000 -2.354 1.00 0.46 N ATOM 871 CA PHE A 55 17.128 -8.544 -2.286 1.00 0.42 C ATOM 872 C PHE A 55 17.341 -7.946 -3.662 1.00 0.44 C ATOM 873 O PHE A 55 16.711 -6.960 -4.023 1.00 0.45 O ATOM 874 CB PHE A 55 18.176 -7.996 -1.327 1.00 0.44 C ATOM 875 CG PHE A 55 17.981 -8.432 0.098 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.955 -7.907 0.865 1.00 1.98 C ATOM 877 CD2 PHE A 55 18.835 -9.357 0.675 1.00 1.87 C ATOM 878 CE1 PHE A 55 16.784 -8.301 2.179 1.00 2.77 C ATOM 879 CE2 PHE A 55 18.668 -9.756 1.987 1.00 2.70 C ATOM 880 CZ PHE A 55 17.641 -9.226 2.741 1.00 2.95 C ATOM 0 H PHE A 55 18.017 -10.408 -1.915 1.00 0.46 H new ATOM 0 HA PHE A 55 16.140 -8.268 -1.918 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.163 -8.313 -1.662 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.160 -6.907 -1.369 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.281 -7.182 0.432 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.643 -9.772 0.091 1.00 1.87 H new ATOM 0 HE1 PHE A 55 15.979 -7.885 2.767 1.00 2.77 H new ATOM 0 HE2 PHE A 55 19.340 -10.481 2.422 1.00 2.70 H new ATOM 0 HZ PHE A 55 17.508 -9.534 3.768 1.00 2.95 H new ATOM 890 N GLN A 56 18.259 -8.537 -4.407 1.00 0.49 N ATOM 891 CA GLN A 56 18.474 -8.195 -5.805 1.00 0.54 C ATOM 892 C GLN A 56 17.152 -8.303 -6.560 1.00 0.53 C ATOM 893 O GLN A 56 16.676 -7.333 -7.147 1.00 0.57 O ATOM 894 CB GLN A 56 19.519 -9.160 -6.382 1.00 0.62 C ATOM 895 CG GLN A 56 20.054 -8.812 -7.765 1.00 0.76 C ATOM 896 CD GLN A 56 19.044 -9.018 -8.877 1.00 0.98 C ATOM 897 OE1 GLN A 56 18.394 -7.946 -9.285 1.00 1.69 O flip ATOM 898 NE2 GLN A 56 18.881 -10.125 -9.389 1.00 0.87 N flip ATOM 0 H GLN A 56 18.878 -9.269 -4.060 1.00 0.49 H new ATOM 0 HA GLN A 56 18.839 -7.173 -5.904 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.360 -9.210 -5.690 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.081 -10.157 -6.424 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.378 -7.771 -7.768 1.00 0.76 H new ATOM 0 HG3 GLN A 56 20.935 -9.421 -7.968 1.00 0.76 H new ATOM 0 HE21 GLN A 56 19.404 -10.929 -9.043 1.00 0.87 H new ATOM 0 HE22 GLN A 56 18.222 -10.239 -10.160 1.00 0.87 H new ATOM 907 N LYS A 57 16.564 -9.490 -6.519 1.00 0.51 N ATOM 908 CA LYS A 57 15.298 -9.758 -7.189 1.00 0.52 C ATOM 909 C LYS A 57 14.203 -8.813 -6.712 1.00 0.48 C ATOM 910 O LYS A 57 13.458 -8.269 -7.522 1.00 0.48 O ATOM 911 CB LYS A 57 14.870 -11.211 -6.965 1.00 0.55 C ATOM 912 CG LYS A 57 14.904 -12.061 -8.227 1.00 0.76 C ATOM 913 CD LYS A 57 16.300 -12.150 -8.828 1.00 1.01 C ATOM 914 CE LYS A 57 17.226 -13.036 -8.008 1.00 0.87 C ATOM 915 NZ LYS A 57 18.537 -13.222 -8.682 1.00 1.60 N ATOM 0 H LYS A 57 16.949 -10.293 -6.022 1.00 0.51 H new ATOM 0 HA LYS A 57 15.448 -9.590 -8.255 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.522 -11.661 -6.217 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.860 -11.224 -6.556 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.546 -13.064 -7.996 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.220 -11.640 -8.964 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.232 -12.541 -9.843 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.727 -11.150 -8.899 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.381 -12.592 -7.025 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.756 -14.007 -7.849 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 18.769 -14.235 -8.716 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 18.486 -12.846 -9.650 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 19.275 -12.715 -8.152 1.00 1.60 H new ATOM 929 N LEU A 58 14.110 -8.620 -5.400 1.00 0.46 N ATOM 930 CA LEU A 58 13.116 -7.726 -4.825 1.00 0.43 C ATOM 931 C LEU A 58 13.349 -6.294 -5.284 1.00 0.43 C ATOM 932 O LEU A 58 12.403 -5.553 -5.523 1.00 0.42 O ATOM 933 CB LEU A 58 13.159 -7.787 -3.302 1.00 0.43 C ATOM 934 CG LEU A 58 12.000 -7.087 -2.604 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.681 -7.727 -3.006 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.187 -7.137 -1.101 1.00 0.41 C ATOM 0 H LEU A 58 14.714 -9.073 -4.715 1.00 0.46 H new ATOM 0 HA LEU A 58 12.134 -8.052 -5.168 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.173 -8.833 -2.994 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.093 -7.342 -2.960 1.00 0.43 H new ATOM 0 HG LEU A 58 11.981 -6.042 -2.912 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.861 -7.218 -2.500 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.550 -7.644 -4.085 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.685 -8.779 -2.721 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.352 -6.633 -0.614 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.225 -8.176 -0.773 1.00 0.41 H new ATOM 0 HD23 LEU A 58 13.118 -6.638 -0.833 1.00 0.41 H new ATOM 948 N MET A 59 14.615 -5.915 -5.401 1.00 0.46 N ATOM 949 CA MET A 59 14.985 -4.607 -5.918 1.00 0.48 C ATOM 950 C MET A 59 14.331 -4.392 -7.260 1.00 0.48 C ATOM 951 O MET A 59 13.492 -3.522 -7.414 1.00 0.49 O ATOM 952 CB MET A 59 16.509 -4.501 -6.053 1.00 0.54 C ATOM 953 CG MET A 59 16.999 -3.282 -6.836 1.00 0.57 C ATOM 954 SD MET A 59 16.954 -3.475 -8.631 1.00 1.64 S ATOM 955 CE MET A 59 18.014 -4.898 -8.848 1.00 2.39 C ATOM 0 H MET A 59 15.408 -6.502 -5.142 1.00 0.46 H new ATOM 0 HA MET A 59 14.644 -3.839 -5.223 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.947 -4.475 -5.055 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.880 -5.402 -6.541 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.390 -2.421 -6.561 1.00 0.57 H new ATOM 0 HG3 MET A 59 18.022 -3.059 -6.533 1.00 0.57 H new ATOM 0 HE1 MET A 59 18.667 -4.738 -9.706 1.00 2.39 H new ATOM 0 HE2 MET A 59 18.619 -5.041 -7.953 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.403 -5.784 -9.018 1.00 2.39 H new ATOM 965 N SER A 60 14.680 -5.247 -8.198 1.00 0.50 N ATOM 966 CA SER A 60 14.167 -5.164 -9.556 1.00 0.53 C ATOM 967 C SER A 60 12.660 -5.363 -9.578 1.00 0.52 C ATOM 968 O SER A 60 11.966 -4.915 -10.486 1.00 0.56 O ATOM 969 CB SER A 60 14.865 -6.205 -10.431 1.00 0.56 C ATOM 970 OG SER A 60 14.983 -7.447 -9.754 1.00 1.35 O ATOM 0 H SER A 60 15.327 -6.020 -8.044 1.00 0.50 H new ATOM 0 HA SER A 60 14.375 -4.170 -9.953 1.00 0.53 H new ATOM 0 HB2 SER A 60 14.303 -6.343 -11.355 1.00 0.56 H new ATOM 0 HB3 SER A 60 15.855 -5.844 -10.711 1.00 0.56 H new ATOM 0 HG SER A 60 14.287 -7.512 -9.067 1.00 1.35 H new ATOM 976 N ASN A 61 12.164 -6.038 -8.564 1.00 0.49 N ATOM 977 CA ASN A 61 10.761 -6.342 -8.465 1.00 0.51 C ATOM 978 C ASN A 61 9.963 -5.072 -8.235 1.00 0.50 C ATOM 979 O ASN A 61 8.889 -4.869 -8.809 1.00 0.57 O ATOM 980 CB ASN A 61 10.564 -7.308 -7.299 1.00 0.49 C ATOM 981 CG ASN A 61 9.324 -8.154 -7.387 1.00 0.58 C ATOM 982 OD1 ASN A 61 8.333 -7.794 -8.022 1.00 0.80 O ATOM 983 ND2 ASN A 61 9.372 -9.285 -6.711 1.00 0.58 N ATOM 0 H ASN A 61 12.725 -6.389 -7.788 1.00 0.49 H new ATOM 0 HA ASN A 61 10.411 -6.797 -9.391 1.00 0.51 H new ATOM 0 HB2 ASN A 61 11.432 -7.965 -7.238 1.00 0.49 H new ATOM 0 HB3 ASN A 61 10.532 -6.736 -6.372 1.00 0.49 H new ATOM 0 HD21 ASN A 61 8.563 -9.907 -6.699 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.218 -9.538 -6.200 1.00 0.58 H new ATOM 990 N LEU A 62 10.508 -4.219 -7.393 1.00 0.44 N ATOM 991 CA LEU A 62 9.866 -2.975 -7.040 1.00 0.44 C ATOM 992 C LEU A 62 10.379 -1.870 -7.941 1.00 0.49 C ATOM 993 O LEU A 62 9.618 -1.237 -8.659 1.00 0.55 O ATOM 994 CB LEU A 62 10.168 -2.657 -5.577 1.00 0.38 C ATOM 995 CG LEU A 62 10.177 -3.880 -4.659 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.566 -3.498 -3.238 1.00 0.31 C ATOM 997 CD2 LEU A 62 8.829 -4.583 -4.692 1.00 0.35 C ATOM 0 H LEU A 62 11.407 -4.370 -6.936 1.00 0.44 H new ATOM 0 HA LEU A 62 8.787 -3.058 -7.171 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.138 -2.164 -5.517 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.427 -1.947 -5.211 1.00 0.38 H new ATOM 0 HG LEU A 62 10.930 -4.576 -5.028 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.564 -4.388 -2.608 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.563 -3.057 -3.240 1.00 0.31 H new ATOM 0 HD13 LEU A 62 9.850 -2.775 -2.847 1.00 0.31 H new ATOM 0 HD21 LEU A 62 8.855 -5.451 -4.033 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.052 -3.896 -4.357 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.613 -4.907 -5.710 1.00 0.35 H new ATOM 1009 N ASP A 63 11.690 -1.704 -7.916 1.00 0.48 N ATOM 1010 CA ASP A 63 12.399 -0.682 -8.661 1.00 0.54 C ATOM 1011 C ASP A 63 12.077 -0.754 -10.145 1.00 0.57 C ATOM 1012 O ASP A 63 12.709 -1.483 -10.916 1.00 0.63 O ATOM 1013 CB ASP A 63 13.898 -0.861 -8.442 1.00 0.56 C ATOM 1014 CG ASP A 63 14.726 0.205 -9.121 1.00 0.67 C ATOM 1015 OD1 ASP A 63 14.140 1.109 -9.742 1.00 1.34 O ATOM 1016 OD2 ASP A 63 15.969 0.137 -9.044 1.00 1.24 O ATOM 0 H ASP A 63 12.308 -2.295 -7.360 1.00 0.48 H new ATOM 0 HA ASP A 63 12.082 0.297 -8.302 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.107 -0.849 -7.372 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.200 -1.840 -8.815 1.00 0.56 H new ATOM 1021 N SER A 64 11.075 0.003 -10.520 1.00 0.59 N ATOM 1022 CA SER A 64 10.642 0.094 -11.900 1.00 0.64 C ATOM 1023 C SER A 64 11.686 0.804 -12.765 1.00 0.66 C ATOM 1024 O SER A 64 11.741 0.587 -13.978 1.00 0.76 O ATOM 1025 CB SER A 64 9.299 0.830 -11.978 1.00 0.72 C ATOM 1026 OG SER A 64 8.738 0.748 -13.279 1.00 1.37 O ATOM 0 H SER A 64 10.532 0.578 -9.876 1.00 0.59 H new ATOM 0 HA SER A 64 10.521 -0.918 -12.286 1.00 0.64 H new ATOM 0 HB2 SER A 64 8.606 0.403 -11.254 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.439 1.876 -11.706 1.00 0.72 H new ATOM 0 HG SER A 64 7.882 1.225 -13.297 1.00 1.37 H new ATOM 1032 N ASN A 65 12.532 1.625 -12.147 1.00 0.63 N ATOM 1033 CA ASN A 65 13.496 2.411 -12.910 1.00 0.72 C ATOM 1034 C ASN A 65 14.814 1.656 -13.069 1.00 0.69 C ATOM 1035 O ASN A 65 15.636 1.979 -13.926 1.00 0.77 O ATOM 1036 CB ASN A 65 13.721 3.797 -12.280 1.00 0.79 C ATOM 1037 CG ASN A 65 14.675 3.794 -11.102 1.00 1.01 C ATOM 1038 OD1 ASN A 65 14.261 3.836 -9.945 1.00 1.65 O ATOM 1039 ND2 ASN A 65 15.960 3.765 -11.388 1.00 1.16 N ATOM 0 H ASN A 65 12.570 1.762 -11.137 1.00 0.63 H new ATOM 0 HA ASN A 65 13.078 2.570 -13.904 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.106 4.473 -13.044 1.00 0.79 H new ATOM 0 HB3 ASN A 65 12.760 4.197 -11.955 1.00 0.79 H new ATOM 0 HD21 ASN A 65 16.650 3.777 -10.637 1.00 1.16 H new ATOM 0 HD22 ASN A 65 16.265 3.730 -12.361 1.00 1.16 H new ATOM 1046 N ARG A 66 14.982 0.646 -12.215 1.00 0.60 N ATOM 1047 CA ARG A 66 16.089 -0.296 -12.270 1.00 0.60 C ATOM 1048 C ARG A 66 17.447 0.362 -12.076 1.00 0.61 C ATOM 1049 O ARG A 66 18.348 0.208 -12.899 1.00 0.69 O ATOM 1050 CB ARG A 66 16.061 -1.065 -13.574 1.00 0.67 C ATOM 1051 CG ARG A 66 14.899 -2.029 -13.686 1.00 0.71 C ATOM 1052 CD ARG A 66 14.982 -3.151 -12.656 1.00 0.71 C ATOM 1053 NE ARG A 66 14.262 -4.336 -13.122 1.00 0.78 N ATOM 1054 CZ ARG A 66 12.936 -4.403 -13.253 1.00 1.20 C ATOM 1055 NH1 ARG A 66 12.171 -3.399 -12.844 1.00 2.24 N ATOM 1056 NH2 ARG A 66 12.373 -5.487 -13.764 1.00 1.15 N ATOM 0 H ARG A 66 14.334 0.460 -11.449 1.00 0.60 H new ATOM 0 HA ARG A 66 15.953 -0.983 -11.435 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.016 -0.358 -14.402 1.00 0.67 H new ATOM 0 HB3 ARG A 66 16.993 -1.620 -13.679 1.00 0.67 H new ATOM 0 HG2 ARG A 66 13.964 -1.485 -13.554 1.00 0.71 H new ATOM 0 HG3 ARG A 66 14.880 -2.458 -14.688 1.00 0.71 H new ATOM 0 HD2 ARG A 66 16.026 -3.404 -12.470 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.562 -2.813 -11.709 1.00 0.71 H new ATOM 0 HE ARG A 66 14.808 -5.163 -13.362 1.00 0.78 H new ATOM 0 HH11 ARG A 66 12.596 -2.571 -12.427 1.00 2.24 H new ATOM 0 HH12 ARG A 66 11.158 -3.455 -12.947 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.953 -6.273 -14.058 1.00 1.15 H new ATOM 0 HH22 ARG A 66 11.359 -5.536 -13.863 1.00 1.15 H new ATOM 1070 N ASP A 67 17.601 1.051 -10.966 1.00 0.58 N ATOM 1071 CA ASP A 67 18.881 1.655 -10.616 1.00 0.62 C ATOM 1072 C ASP A 67 19.369 1.066 -9.301 1.00 0.56 C ATOM 1073 O ASP A 67 20.370 1.503 -8.736 1.00 0.57 O ATOM 1074 CB ASP A 67 18.762 3.175 -10.515 1.00 0.70 C ATOM 1075 CG ASP A 67 20.108 3.873 -10.506 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.864 3.722 -11.487 1.00 1.72 O ATOM 1077 OD2 ASP A 67 20.403 4.601 -9.536 1.00 1.64 O ATOM 0 H ASP A 67 16.858 1.210 -10.285 1.00 0.58 H new ATOM 0 HA ASP A 67 19.604 1.435 -11.402 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.172 3.545 -11.354 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.219 3.432 -9.606 1.00 0.70 H new ATOM 1082 N ASN A 68 18.615 0.077 -8.821 1.00 0.53 N ATOM 1083 CA ASN A 68 18.967 -0.708 -7.637 1.00 0.51 C ATOM 1084 C ASN A 68 18.668 0.048 -6.363 1.00 0.47 C ATOM 1085 O ASN A 68 19.271 -0.203 -5.316 1.00 0.48 O ATOM 1086 CB ASN A 68 20.428 -1.164 -7.666 1.00 0.58 C ATOM 1087 CG ASN A 68 20.646 -2.318 -8.619 1.00 0.73 C ATOM 1088 OD1 ASN A 68 19.760 -2.448 -9.591 1.00 1.08 O flip ATOM 1089 ND2 ASN A 68 21.577 -3.106 -8.461 1.00 0.66 N flip ATOM 0 H ASN A 68 17.733 -0.205 -9.248 1.00 0.53 H new ATOM 0 HA ASN A 68 18.343 -1.601 -7.655 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.062 -0.328 -7.959 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.735 -1.460 -6.663 1.00 0.58 H new ATOM 0 HD21 ASN A 68 22.238 -2.967 -7.697 1.00 0.66 H new ATOM 0 HD22 ASN A 68 21.688 -3.898 -9.094 1.00 0.66 H new ATOM 1096 N GLU A 69 17.731 0.974 -6.458 1.00 0.46 N ATOM 1097 CA GLU A 69 17.268 1.711 -5.302 1.00 0.42 C ATOM 1098 C GLU A 69 15.765 1.918 -5.392 1.00 0.41 C ATOM 1099 O GLU A 69 15.266 2.575 -6.305 1.00 0.44 O ATOM 1100 CB GLU A 69 17.972 3.060 -5.185 1.00 0.46 C ATOM 1101 CG GLU A 69 19.477 2.981 -5.332 1.00 0.50 C ATOM 1102 CD GLU A 69 20.151 4.314 -5.139 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.004 5.190 -6.014 1.00 1.29 O ATOM 1104 OE2 GLU A 69 20.849 4.482 -4.121 1.00 1.31 O ATOM 0 H GLU A 69 17.274 1.233 -7.332 1.00 0.46 H new ATOM 0 HA GLU A 69 17.505 1.129 -4.411 1.00 0.42 H new ATOM 0 HB2 GLU A 69 17.577 3.732 -5.947 1.00 0.46 H new ATOM 0 HB3 GLU A 69 17.734 3.500 -4.217 1.00 0.46 H new ATOM 0 HG2 GLU A 69 19.872 2.270 -4.606 1.00 0.50 H new ATOM 0 HG3 GLU A 69 19.721 2.595 -6.322 1.00 0.50 H new ATOM 1111 N VAL A 70 15.060 1.354 -4.436 1.00 0.37 N ATOM 1112 CA VAL A 70 13.600 1.430 -4.396 1.00 0.36 C ATOM 1113 C VAL A 70 13.143 2.759 -3.827 1.00 0.35 C ATOM 1114 O VAL A 70 13.442 3.089 -2.682 1.00 0.36 O ATOM 1115 CB VAL A 70 13.008 0.291 -3.551 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.524 0.508 -3.307 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.237 -1.038 -4.237 1.00 0.37 C ATOM 0 H VAL A 70 15.472 0.830 -3.664 1.00 0.37 H new ATOM 0 HA VAL A 70 13.244 1.335 -5.422 1.00 0.36 H new ATOM 0 HB VAL A 70 13.513 0.285 -2.585 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.130 -0.312 -2.707 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.376 1.449 -2.777 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.000 0.543 -4.262 1.00 0.34 H new ATOM 0 HG21 VAL A 70 12.814 -1.838 -3.630 1.00 0.37 H new ATOM 0 HG22 VAL A 70 12.755 -1.031 -5.215 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.307 -1.204 -4.361 1.00 0.37 H new ATOM 1127 N ASP A 71 12.420 3.515 -4.630 1.00 0.38 N ATOM 1128 CA ASP A 71 11.881 4.786 -4.179 1.00 0.39 C ATOM 1129 C ASP A 71 10.686 4.534 -3.276 1.00 0.37 C ATOM 1130 O ASP A 71 10.173 3.414 -3.240 1.00 0.35 O ATOM 1131 CB ASP A 71 11.477 5.670 -5.363 1.00 0.45 C ATOM 1132 CG ASP A 71 9.976 5.705 -5.594 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.439 4.752 -6.177 1.00 1.43 O ATOM 1134 OD2 ASP A 71 9.324 6.687 -5.159 1.00 1.35 O ATOM 0 H ASP A 71 12.192 3.274 -5.595 1.00 0.38 H new ATOM 0 HA ASP A 71 12.655 5.314 -3.622 1.00 0.39 H new ATOM 0 HB2 ASP A 71 11.836 6.685 -5.191 1.00 0.45 H new ATOM 0 HB3 ASP A 71 11.969 5.307 -6.265 1.00 0.45 H new ATOM 1139 N PHE A 72 10.234 5.540 -2.544 1.00 0.41 N ATOM 1140 CA PHE A 72 9.138 5.319 -1.620 1.00 0.44 C ATOM 1141 C PHE A 72 7.897 4.840 -2.348 1.00 0.40 C ATOM 1142 O PHE A 72 7.180 3.986 -1.848 1.00 0.42 O ATOM 1143 CB PHE A 72 8.785 6.555 -0.809 1.00 0.54 C ATOM 1144 CG PHE A 72 7.678 6.257 0.155 1.00 0.94 C ATOM 1145 CD1 PHE A 72 7.924 5.505 1.281 1.00 1.70 C ATOM 1146 CD2 PHE A 72 6.391 6.689 -0.084 1.00 1.69 C ATOM 1147 CE1 PHE A 72 6.915 5.195 2.161 1.00 2.17 C ATOM 1148 CE2 PHE A 72 5.373 6.381 0.791 1.00 2.18 C ATOM 1149 CZ PHE A 72 5.635 5.633 1.914 1.00 2.15 C ATOM 0 H PHE A 72 10.598 6.492 -2.570 1.00 0.41 H new ATOM 0 HA PHE A 72 9.487 4.551 -0.930 1.00 0.44 H new ATOM 0 HB2 PHE A 72 9.664 6.903 -0.265 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.484 7.361 -1.478 1.00 0.54 H new ATOM 0 HD1 PHE A 72 8.926 5.153 1.476 1.00 1.70 H new ATOM 0 HD2 PHE A 72 6.179 7.275 -0.966 1.00 1.69 H new ATOM 0 HE1 PHE A 72 7.127 4.609 3.043 1.00 2.17 H new ATOM 0 HE2 PHE A 72 4.369 6.727 0.595 1.00 2.18 H new ATOM 0 HZ PHE A 72 4.838 5.390 2.601 1.00 2.15 H new ATOM 1159 N GLN A 73 7.640 5.395 -3.518 1.00 0.38 N ATOM 1160 CA GLN A 73 6.491 4.985 -4.303 1.00 0.37 C ATOM 1161 C GLN A 73 6.554 3.491 -4.610 1.00 0.36 C ATOM 1162 O GLN A 73 5.583 2.773 -4.383 1.00 0.37 O ATOM 1163 CB GLN A 73 6.372 5.811 -5.589 1.00 0.41 C ATOM 1164 CG GLN A 73 5.235 5.361 -6.488 1.00 0.50 C ATOM 1165 CD GLN A 73 5.728 4.683 -7.745 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.129 3.438 -7.604 1.00 0.63 O flip ATOM 1167 NE2 GLN A 73 5.805 5.293 -8.810 1.00 0.41 N flip ATOM 0 H GLN A 73 8.208 6.127 -3.944 1.00 0.38 H new ATOM 0 HA GLN A 73 5.595 5.172 -3.711 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.226 6.859 -5.327 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.310 5.748 -6.141 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.590 4.676 -5.938 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.626 6.224 -6.759 1.00 0.50 H new ATOM 0 HE21 GLN A 73 5.480 6.258 -8.870 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.193 4.834 -9.634 1.00 0.41 H new ATOM 1176 N GLU A 74 7.690 3.019 -5.112 1.00 0.37 N ATOM 1177 CA GLU A 74 7.869 1.594 -5.382 1.00 0.40 C ATOM 1178 C GLU A 74 7.837 0.774 -4.100 1.00 0.38 C ATOM 1179 O GLU A 74 7.437 -0.389 -4.108 1.00 0.41 O ATOM 1180 CB GLU A 74 9.155 1.334 -6.162 1.00 0.45 C ATOM 1181 CG GLU A 74 9.039 1.710 -7.631 1.00 0.59 C ATOM 1182 CD GLU A 74 7.828 1.080 -8.303 1.00 1.40 C ATOM 1183 OE1 GLU A 74 7.341 0.032 -7.824 1.00 2.04 O ATOM 1184 OE2 GLU A 74 7.350 1.638 -9.311 1.00 2.18 O ATOM 0 H GLU A 74 8.498 3.598 -5.340 1.00 0.37 H new ATOM 0 HA GLU A 74 7.030 1.275 -6.001 1.00 0.40 H new ATOM 0 HB2 GLU A 74 9.970 1.900 -5.710 1.00 0.45 H new ATOM 0 HB3 GLU A 74 9.417 0.279 -6.081 1.00 0.45 H new ATOM 0 HG2 GLU A 74 8.976 2.794 -7.721 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.943 1.399 -8.154 1.00 0.59 H new ATOM 1191 N TYR A 75 8.234 1.392 -3.000 1.00 0.34 N ATOM 1192 CA TYR A 75 8.170 0.755 -1.694 1.00 0.37 C ATOM 1193 C TYR A 75 6.707 0.659 -1.228 1.00 0.34 C ATOM 1194 O TYR A 75 6.307 -0.296 -0.564 1.00 0.34 O ATOM 1195 CB TYR A 75 9.014 1.551 -0.693 1.00 0.43 C ATOM 1196 CG TYR A 75 8.813 1.142 0.747 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.163 -0.126 1.190 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.258 2.026 1.661 1.00 1.72 C ATOM 1199 CE1 TYR A 75 8.968 -0.499 2.504 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.059 1.661 2.975 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.414 0.399 3.393 1.00 1.84 C ATOM 1202 OH TYR A 75 8.204 0.035 4.700 1.00 2.33 O ATOM 0 H TYR A 75 8.607 2.341 -2.986 1.00 0.34 H new ATOM 0 HA TYR A 75 8.572 -0.256 -1.760 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.067 1.434 -0.949 1.00 0.43 H new ATOM 0 HB3 TYR A 75 8.776 2.610 -0.795 1.00 0.43 H new ATOM 0 HD1 TYR A 75 9.595 -0.832 0.495 1.00 1.50 H new ATOM 0 HD2 TYR A 75 7.977 3.017 1.337 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.247 -1.488 2.835 1.00 1.86 H new ATOM 0 HE2 TYR A 75 7.626 2.362 3.673 1.00 2.09 H new ATOM 0 HH TYR A 75 7.808 0.786 5.189 1.00 2.33 H new ATOM 1212 N SER A 76 5.918 1.656 -1.603 1.00 0.35 N ATOM 1213 CA SER A 76 4.497 1.700 -1.282 1.00 0.37 C ATOM 1214 C SER A 76 3.741 0.693 -2.126 1.00 0.36 C ATOM 1215 O SER A 76 2.881 -0.040 -1.633 1.00 0.41 O ATOM 1216 CB SER A 76 3.950 3.099 -1.551 1.00 0.41 C ATOM 1217 OG SER A 76 4.676 4.071 -0.835 1.00 1.21 O ATOM 0 H SER A 76 6.245 2.459 -2.140 1.00 0.35 H new ATOM 0 HA SER A 76 4.367 1.454 -0.228 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.001 3.314 -2.618 1.00 0.41 H new ATOM 0 HB3 SER A 76 2.899 3.143 -1.267 1.00 0.41 H new ATOM 0 HG SER A 76 5.550 4.204 -1.258 1.00 1.21 H new ATOM 1223 N VAL A 77 4.085 0.662 -3.404 1.00 0.35 N ATOM 1224 CA VAL A 77 3.502 -0.280 -4.337 1.00 0.36 C ATOM 1225 C VAL A 77 3.889 -1.676 -3.902 1.00 0.33 C ATOM 1226 O VAL A 77 3.139 -2.635 -4.061 1.00 0.33 O ATOM 1227 CB VAL A 77 3.984 -0.017 -5.782 1.00 0.40 C ATOM 1228 CG1 VAL A 77 3.528 -1.119 -6.723 1.00 0.43 C ATOM 1229 CG2 VAL A 77 3.486 1.335 -6.271 1.00 0.44 C ATOM 0 H VAL A 77 4.774 1.289 -3.819 1.00 0.35 H new ATOM 0 HA VAL A 77 2.418 -0.166 -4.334 1.00 0.36 H new ATOM 0 HB VAL A 77 5.074 -0.009 -5.775 1.00 0.40 H new ATOM 0 HG11 VAL A 77 3.882 -0.906 -7.732 1.00 0.43 H new ATOM 0 HG12 VAL A 77 3.935 -2.074 -6.390 1.00 0.43 H new ATOM 0 HG13 VAL A 77 2.439 -1.169 -6.724 1.00 0.43 H new ATOM 0 HG21 VAL A 77 3.834 1.504 -7.290 1.00 0.44 H new ATOM 0 HG22 VAL A 77 2.396 1.350 -6.253 1.00 0.44 H new ATOM 0 HG23 VAL A 77 3.870 2.121 -5.621 1.00 0.44 H new ATOM 1239 N PHE A 78 5.056 -1.748 -3.299 1.00 0.32 N ATOM 1240 CA PHE A 78 5.562 -2.985 -2.739 1.00 0.29 C ATOM 1241 C PHE A 78 4.655 -3.477 -1.615 1.00 0.27 C ATOM 1242 O PHE A 78 4.069 -4.551 -1.710 1.00 0.28 O ATOM 1243 CB PHE A 78 6.981 -2.778 -2.219 1.00 0.27 C ATOM 1244 CG PHE A 78 7.517 -3.938 -1.431 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.360 -5.238 -1.881 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.180 -3.720 -0.238 1.00 1.18 C ATOM 1247 CE1 PHE A 78 7.853 -6.299 -1.154 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.675 -4.777 0.494 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.512 -6.069 0.034 1.00 0.37 C ATOM 0 H PHE A 78 5.682 -0.951 -3.183 1.00 0.32 H new ATOM 0 HA PHE A 78 5.577 -3.742 -3.523 1.00 0.29 H new ATOM 0 HB2 PHE A 78 7.643 -2.589 -3.064 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.001 -1.886 -1.593 1.00 0.27 H new ATOM 0 HD1 PHE A 78 6.845 -5.422 -2.812 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.311 -2.711 0.124 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.723 -7.309 -1.514 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.190 -4.596 1.426 1.00 1.19 H new ATOM 0 HZ PHE A 78 8.901 -6.899 0.605 1.00 0.37 H new ATOM 1259 N LEU A 79 4.527 -2.678 -0.563 1.00 0.27 N ATOM 1260 CA LEU A 79 3.746 -3.074 0.605 1.00 0.26 C ATOM 1261 C LEU A 79 2.302 -3.379 0.228 1.00 0.31 C ATOM 1262 O LEU A 79 1.703 -4.324 0.742 1.00 0.33 O ATOM 1263 CB LEU A 79 3.783 -1.988 1.677 1.00 0.29 C ATOM 1264 CG LEU A 79 5.182 -1.583 2.143 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.092 -0.762 3.410 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.054 -2.804 2.361 1.00 0.30 C ATOM 0 H LEU A 79 4.952 -1.754 -0.493 1.00 0.27 H new ATOM 0 HA LEU A 79 4.197 -3.982 1.006 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.275 -1.103 1.294 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.215 -2.333 2.541 1.00 0.29 H new ATOM 0 HG LEU A 79 5.642 -0.976 1.363 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.094 -0.479 3.732 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.505 0.137 3.220 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.612 -1.351 4.192 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.044 -2.490 2.692 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.603 -3.442 3.121 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.143 -3.359 1.427 1.00 0.30 H new ATOM 1278 N SER A 80 1.751 -2.590 -0.682 1.00 0.36 N ATOM 1279 CA SER A 80 0.392 -2.816 -1.137 1.00 0.47 C ATOM 1280 C SER A 80 0.299 -4.092 -1.953 1.00 0.37 C ATOM 1281 O SER A 80 -0.641 -4.864 -1.784 1.00 0.38 O ATOM 1282 CB SER A 80 -0.112 -1.634 -1.953 1.00 0.66 C ATOM 1283 OG SER A 80 0.826 -1.253 -2.943 1.00 0.84 O ATOM 0 H SER A 80 2.221 -1.795 -1.115 1.00 0.36 H new ATOM 0 HA SER A 80 -0.240 -2.922 -0.255 1.00 0.47 H new ATOM 0 HB2 SER A 80 -1.058 -1.894 -2.427 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.308 -0.790 -1.291 1.00 0.66 H new ATOM 0 HG SER A 80 1.549 -0.738 -2.528 1.00 0.84 H new ATOM 1289 N SER A 81 1.273 -4.319 -2.834 1.00 0.33 N ATOM 1290 CA SER A 81 1.279 -5.533 -3.627 1.00 0.30 C ATOM 1291 C SER A 81 1.393 -6.743 -2.716 1.00 0.24 C ATOM 1292 O SER A 81 0.801 -7.766 -2.991 1.00 0.26 O ATOM 1293 CB SER A 81 2.391 -5.530 -4.688 1.00 0.37 C ATOM 1294 OG SER A 81 3.684 -5.507 -4.110 1.00 1.22 O ATOM 0 H SER A 81 2.053 -3.686 -3.010 1.00 0.33 H new ATOM 0 HA SER A 81 0.335 -5.584 -4.169 1.00 0.30 H new ATOM 0 HB2 SER A 81 2.292 -6.414 -5.317 1.00 0.37 H new ATOM 0 HB3 SER A 81 2.270 -4.662 -5.336 1.00 0.37 H new ATOM 0 HG SER A 81 3.607 -5.377 -3.142 1.00 1.22 H new ATOM 1300 N ILE A 82 2.128 -6.612 -1.614 1.00 0.23 N ATOM 1301 CA ILE A 82 2.165 -7.667 -0.608 1.00 0.23 C ATOM 1302 C ILE A 82 0.760 -7.962 -0.119 1.00 0.27 C ATOM 1303 O ILE A 82 0.254 -9.079 -0.246 1.00 0.30 O ATOM 1304 CB ILE A 82 2.982 -7.280 0.636 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.415 -6.900 0.279 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.958 -8.429 1.634 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.224 -6.473 1.485 1.00 0.23 C ATOM 0 H ILE A 82 2.699 -5.795 -1.398 1.00 0.23 H new ATOM 0 HA ILE A 82 2.628 -8.526 -1.094 1.00 0.23 H new ATOM 0 HB ILE A 82 2.525 -6.399 1.087 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.903 -7.749 -0.199 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.401 -6.089 -0.449 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.537 -8.156 2.517 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.928 -8.637 1.925 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.392 -9.318 1.176 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.235 -6.214 1.172 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.755 -5.606 1.949 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.265 -7.291 2.204 1.00 0.23 H new ATOM 1319 N ALA A 83 0.146 -6.930 0.443 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.152 -7.045 1.073 1.00 0.36 C ATOM 1321 C ALA A 83 -2.199 -7.580 0.106 1.00 0.37 C ATOM 1322 O ALA A 83 -2.918 -8.524 0.424 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.568 -5.697 1.644 1.00 0.40 C ATOM 0 H ALA A 83 0.539 -5.989 0.472 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.077 -7.765 1.888 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.546 -5.788 2.117 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -0.836 -5.374 2.384 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.621 -4.962 0.841 1.00 0.40 H new ATOM 1329 N MET A 84 -2.272 -7.011 -1.089 1.00 0.37 N ATOM 1330 CA MET A 84 -3.296 -7.430 -2.031 1.00 0.43 C ATOM 1331 C MET A 84 -2.944 -8.756 -2.699 1.00 0.34 C ATOM 1332 O MET A 84 -3.843 -9.514 -3.044 1.00 0.37 O ATOM 1333 CB MET A 84 -3.639 -6.324 -3.045 1.00 0.64 C ATOM 1334 CG MET A 84 -2.512 -5.849 -3.953 1.00 0.44 C ATOM 1335 SD MET A 84 -2.220 -6.967 -5.341 1.00 1.00 S ATOM 1336 CE MET A 84 -1.197 -5.954 -6.408 1.00 1.26 C ATOM 0 H MET A 84 -1.650 -6.275 -1.423 1.00 0.37 H new ATOM 0 HA MET A 84 -4.206 -7.606 -1.458 1.00 0.43 H new ATOM 0 HB2 MET A 84 -4.454 -6.681 -3.674 1.00 0.64 H new ATOM 0 HB3 MET A 84 -4.016 -5.463 -2.493 1.00 0.64 H new ATOM 0 HG2 MET A 84 -2.752 -4.857 -4.335 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.596 -5.753 -3.370 1.00 0.44 H new ATOM 0 HE1 MET A 84 -1.561 -6.023 -7.433 1.00 1.26 H new ATOM 0 HE2 MET A 84 -1.241 -4.917 -6.077 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.166 -6.305 -6.364 1.00 1.26 H new ATOM 1346 N MET A 85 -1.657 -9.070 -2.828 1.00 0.34 N ATOM 1347 CA MET A 85 -1.254 -10.359 -3.391 1.00 0.35 C ATOM 1348 C MET A 85 -1.580 -11.477 -2.404 1.00 0.35 C ATOM 1349 O MET A 85 -2.076 -12.538 -2.796 1.00 0.42 O ATOM 1350 CB MET A 85 0.239 -10.363 -3.775 1.00 0.39 C ATOM 1351 CG MET A 85 1.142 -11.093 -2.800 1.00 1.36 C ATOM 1352 SD MET A 85 1.341 -12.847 -3.185 1.00 2.66 S ATOM 1353 CE MET A 85 2.153 -12.758 -4.782 1.00 3.35 C ATOM 0 H MET A 85 -0.885 -8.461 -2.556 1.00 0.34 H new ATOM 0 HA MET A 85 -1.817 -10.530 -4.309 1.00 0.35 H new ATOM 0 HB2 MET A 85 0.346 -10.819 -4.759 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.580 -9.332 -3.863 1.00 0.39 H new ATOM 0 HG2 MET A 85 2.122 -10.616 -2.796 1.00 1.36 H new ATOM 0 HG3 MET A 85 0.735 -10.993 -1.794 1.00 1.36 H new ATOM 0 HE1 MET A 85 2.797 -13.628 -4.912 1.00 3.35 H new ATOM 0 HE2 MET A 85 1.402 -12.742 -5.572 1.00 3.35 H new ATOM 0 HE3 MET A 85 2.754 -11.850 -4.834 1.00 3.35 H new ATOM 1363 N SER A 86 -1.331 -11.228 -1.118 1.00 0.33 N ATOM 1364 CA SER A 86 -1.663 -12.198 -0.091 1.00 0.39 C ATOM 1365 C SER A 86 -3.174 -12.281 0.087 1.00 0.43 C ATOM 1366 O SER A 86 -3.715 -13.319 0.469 1.00 0.57 O ATOM 1367 CB SER A 86 -0.964 -11.850 1.230 1.00 0.43 C ATOM 1368 OG SER A 86 -1.158 -10.491 1.583 1.00 1.24 O ATOM 0 H SER A 86 -0.904 -10.369 -0.771 1.00 0.33 H new ATOM 0 HA SER A 86 -1.305 -13.178 -0.406 1.00 0.39 H new ATOM 0 HB2 SER A 86 -1.347 -12.491 2.024 1.00 0.43 H new ATOM 0 HB3 SER A 86 0.103 -12.055 1.142 1.00 0.43 H new ATOM 0 HG SER A 86 -0.559 -9.926 1.051 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.856 -11.188 -0.228 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.305 -11.133 -0.113 1.00 0.51 C ATOM 1376 C ASN A 87 -5.980 -11.888 -1.246 1.00 0.44 C ATOM 1377 O ASN A 87 -6.912 -12.643 -1.017 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.801 -9.703 -0.145 1.00 0.69 C ATOM 1379 CG ASN A 87 -7.269 -9.601 0.219 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -7.618 -9.192 1.320 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -8.136 -10.020 -0.690 1.00 1.49 N ATOM 0 H ASN A 87 -3.427 -10.326 -0.566 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.558 -11.595 0.841 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.213 -9.100 0.547 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.645 -9.288 -1.141 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -9.135 -10.010 -0.485 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.805 -10.353 -1.595 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.557 -11.639 -2.480 1.00 0.37 N ATOM 1389 CA GLU A 88 -6.128 -12.344 -3.621 1.00 0.43 C ATOM 1390 C GLU A 88 -6.032 -13.846 -3.411 1.00 0.52 C ATOM 1391 O GLU A 88 -6.989 -14.584 -3.638 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.419 -11.966 -4.911 1.00 0.48 C ATOM 1393 CG GLU A 88 -5.457 -10.486 -5.229 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.828 -10.183 -6.566 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -3.609 -9.943 -6.622 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -5.561 -10.199 -7.570 1.00 1.73 O ATOM 0 H GLU A 88 -4.830 -10.963 -2.714 1.00 0.37 H new ATOM 0 HA GLU A 88 -7.175 -12.053 -3.703 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -4.379 -12.286 -4.848 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.872 -12.515 -5.736 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -6.491 -10.140 -5.227 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.935 -9.933 -4.448 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.869 -14.281 -2.960 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.651 -15.680 -2.620 1.00 0.63 C ATOM 1405 C PHE A 89 -5.420 -16.058 -1.358 1.00 0.66 C ATOM 1406 O PHE A 89 -5.692 -17.231 -1.117 1.00 0.79 O ATOM 1407 CB PHE A 89 -3.152 -15.944 -2.442 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.801 -17.388 -2.207 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.800 -18.293 -3.256 1.00 2.16 C ATOM 1410 CD2 PHE A 89 -2.467 -17.839 -0.940 1.00 1.71 C ATOM 1411 CE1 PHE A 89 -2.472 -19.618 -3.046 1.00 2.80 C ATOM 1412 CE2 PHE A 89 -2.139 -19.163 -0.724 1.00 2.38 C ATOM 1413 CZ PHE A 89 -2.143 -20.054 -1.777 1.00 2.70 C ATOM 0 H PHE A 89 -4.055 -13.683 -2.819 1.00 0.50 H new ATOM 0 HA PHE A 89 -5.023 -16.301 -3.435 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.625 -15.594 -3.330 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.788 -15.352 -1.602 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -3.059 -17.958 -4.250 1.00 2.16 H new ATOM 0 HD2 PHE A 89 -2.463 -17.147 -0.111 1.00 1.71 H new ATOM 0 HE1 PHE A 89 -2.473 -20.313 -3.873 1.00 2.80 H new ATOM 0 HE2 PHE A 89 -1.880 -19.501 0.269 1.00 2.38 H new ATOM 0 HZ PHE A 89 -1.889 -21.090 -1.610 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.789 -15.062 -0.565 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.614 -15.298 0.609 1.00 0.68 C ATOM 1425 C PHE A 90 -8.034 -15.615 0.158 1.00 0.68 C ATOM 1426 O PHE A 90 -8.758 -16.363 0.816 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.602 -14.067 1.519 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.278 -14.270 2.847 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -6.583 -14.816 3.915 1.00 1.53 C ATOM 1430 CD2 PHE A 90 -8.602 -13.909 3.031 1.00 1.46 C ATOM 1431 CE1 PHE A 90 -7.198 -14.998 5.139 1.00 1.64 C ATOM 1432 CE2 PHE A 90 -9.222 -14.091 4.251 1.00 1.59 C ATOM 1433 CZ PHE A 90 -8.519 -14.636 5.308 1.00 1.21 C ATOM 0 H PHE A 90 -5.531 -14.086 -0.713 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.217 -16.141 1.175 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.568 -13.769 1.693 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.089 -13.241 1.000 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -5.549 -15.102 3.789 1.00 1.53 H new ATOM 0 HD2 PHE A 90 -9.157 -13.480 2.210 1.00 1.46 H new ATOM 0 HE1 PHE A 90 -6.645 -15.423 5.963 1.00 1.64 H new ATOM 0 HE2 PHE A 90 -10.256 -13.807 4.379 1.00 1.59 H new ATOM 0 HZ PHE A 90 -9.002 -14.778 6.264 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.419 -15.041 -0.980 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.712 -15.325 -1.576 1.00 0.72 C ATOM 1445 C GLU A 91 -9.668 -16.676 -2.271 1.00 0.77 C ATOM 1446 O GLU A 91 -10.700 -17.293 -2.538 1.00 0.96 O ATOM 1447 CB GLU A 91 -10.109 -14.245 -2.583 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.764 -12.825 -2.160 1.00 0.92 C ATOM 1449 CD GLU A 91 -10.477 -12.340 -0.907 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.791 -13.158 -0.019 1.00 2.25 O ATOM 1451 OE2 GLU A 91 -10.705 -11.115 -0.799 1.00 2.23 O ATOM 0 H GLU A 91 -7.850 -14.377 -1.504 1.00 0.61 H new ATOM 0 HA GLU A 91 -10.457 -15.340 -0.780 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -9.619 -14.456 -3.534 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -11.183 -14.307 -2.757 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -8.688 -12.761 -1.996 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -10.002 -12.149 -2.981 1.00 0.92 H new ATOM 1458 N GLY A 92 -8.457 -17.117 -2.577 1.00 0.71 N ATOM 1459 CA GLY A 92 -8.262 -18.383 -3.256 1.00 0.82 C ATOM 1460 C GLY A 92 -8.063 -18.188 -4.741 1.00 0.81 C ATOM 1461 O GLY A 92 -7.543 -19.061 -5.436 1.00 0.92 O ATOM 0 H GLY A 92 -7.595 -16.614 -2.364 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -7.396 -18.893 -2.835 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -9.125 -19.026 -3.085 1.00 0.82 H new ATOM 1465 N PHE A 93 -8.467 -17.021 -5.213 1.00 0.76 N ATOM 1466 CA PHE A 93 -8.401 -16.676 -6.620 1.00 0.78 C ATOM 1467 C PHE A 93 -8.702 -15.190 -6.774 1.00 0.69 C ATOM 1468 O PHE A 93 -9.510 -14.643 -6.018 1.00 0.82 O ATOM 1469 CB PHE A 93 -9.417 -17.515 -7.411 1.00 1.00 C ATOM 1470 CG PHE A 93 -9.357 -17.321 -8.901 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -8.375 -17.943 -9.655 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -10.285 -16.519 -9.546 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -8.318 -17.767 -11.024 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -10.231 -16.340 -10.915 1.00 3.46 C ATOM 1475 CZ PHE A 93 -9.247 -16.964 -11.655 1.00 3.91 C ATOM 0 H PHE A 93 -8.853 -16.282 -4.625 1.00 0.76 H new ATOM 0 HA PHE A 93 -7.405 -16.887 -7.010 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -9.252 -18.569 -7.187 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -10.421 -17.269 -7.065 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -7.646 -18.573 -9.167 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -11.058 -16.029 -8.973 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -7.547 -18.257 -11.600 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -10.959 -15.712 -11.406 1.00 3.46 H new ATOM 0 HZ PHE A 93 -9.204 -16.824 -12.725 1.00 3.91 H new ATOM 1485 N PRO A 94 -8.038 -14.499 -7.716 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.333 -13.097 -8.015 1.00 0.61 C ATOM 1487 C PRO A 94 -9.682 -12.943 -8.714 1.00 0.71 C ATOM 1488 O PRO A 94 -9.774 -12.571 -9.885 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.203 -12.689 -8.941 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.791 -13.954 -9.606 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.940 -15.018 -8.555 1.00 0.83 C ATOM 0 HA PRO A 94 -8.399 -12.485 -7.116 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.534 -11.948 -9.668 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.376 -12.245 -8.387 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -7.418 -14.166 -10.472 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.763 -13.894 -9.963 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -7.187 -15.986 -8.992 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -6.022 -15.152 -7.982 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.717 -13.216 -7.956 1.00 0.71 N ATOM 1500 CA ASP A 95 -12.084 -13.267 -8.465 1.00 0.88 C ATOM 1501 C ASP A 95 -12.727 -11.894 -8.442 1.00 0.84 C ATOM 1502 O ASP A 95 -13.709 -11.637 -9.134 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.913 -14.251 -7.631 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.369 -14.301 -8.049 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.688 -15.002 -9.030 1.00 2.40 O ATOM 1506 OD2 ASP A 95 -15.201 -13.641 -7.389 1.00 2.16 O ATOM 0 H ASP A 95 -10.643 -13.412 -6.958 1.00 0.71 H new ATOM 0 HA ASP A 95 -12.052 -13.608 -9.500 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.481 -15.248 -7.719 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -12.852 -13.969 -6.580 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.129 -11.001 -7.684 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.668 -9.664 -7.497 1.00 0.86 C ATOM 1513 C LYS A 96 -12.091 -8.748 -8.554 1.00 0.84 C ATOM 1514 O LYS A 96 -12.411 -7.564 -8.634 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.318 -9.165 -6.093 1.00 0.97 C ATOM 1516 CG LYS A 96 -10.928 -9.588 -5.638 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.592 -9.040 -4.262 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.207 -9.468 -3.815 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.158 -8.855 -4.665 1.00 1.86 N ATOM 0 H LYS A 96 -11.259 -11.176 -7.180 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.753 -9.677 -7.597 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.385 -8.077 -6.073 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.056 -9.543 -5.385 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -10.867 -10.676 -5.620 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.188 -9.239 -6.358 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.650 -7.952 -4.279 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.332 -9.387 -3.541 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -9.052 -9.179 -2.775 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.127 -10.554 -3.860 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.272 -8.782 -4.125 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.003 -9.447 -5.506 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -8.462 -7.906 -4.962 1.00 1.86 H new ATOM 1533 N GLN A 97 -11.253 -9.341 -9.379 1.00 0.85 N ATOM 1534 CA GLN A 97 -10.485 -8.611 -10.366 1.00 1.00 C ATOM 1535 C GLN A 97 -11.105 -8.732 -11.745 1.00 1.03 C ATOM 1536 O GLN A 97 -11.743 -9.730 -12.054 1.00 1.07 O ATOM 1537 CB GLN A 97 -9.081 -9.183 -10.419 1.00 1.19 C ATOM 1538 CG GLN A 97 -8.469 -9.438 -9.058 1.00 1.19 C ATOM 1539 CD GLN A 97 -8.278 -8.187 -8.230 1.00 1.05 C ATOM 1540 OE1 GLN A 97 -9.014 -7.216 -8.343 1.00 1.71 O ATOM 1541 NE2 GLN A 97 -7.279 -8.224 -7.379 1.00 0.97 N ATOM 0 H GLN A 97 -11.085 -10.347 -9.384 1.00 0.85 H new ATOM 0 HA GLN A 97 -10.470 -7.560 -10.079 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -9.102 -10.119 -10.978 1.00 1.19 H new ATOM 0 HB3 GLN A 97 -8.440 -8.496 -10.971 1.00 1.19 H new ATOM 0 HG2 GLN A 97 -9.105 -10.132 -8.509 1.00 1.19 H new ATOM 0 HG3 GLN A 97 -7.503 -9.926 -9.190 1.00 1.19 H new ATOM 0 HE21 GLN A 97 -6.691 -9.055 -7.319 1.00 0.97 H new ATOM 0 HE22 GLN A 97 -7.091 -7.422 -6.778 1.00 0.97 H new ATOM 1550 N PRO A 98 -10.900 -7.728 -12.598 1.00 1.26 N ATOM 1551 CA PRO A 98 -11.315 -7.757 -13.982 1.00 1.46 C ATOM 1552 C PRO A 98 -10.161 -8.139 -14.909 1.00 1.51 C ATOM 1553 O PRO A 98 -10.093 -7.676 -16.047 1.00 1.97 O ATOM 1554 CB PRO A 98 -11.727 -6.309 -14.198 1.00 1.83 C ATOM 1555 CG PRO A 98 -10.755 -5.523 -13.375 1.00 1.83 C ATOM 1556 CD PRO A 98 -10.255 -6.448 -12.287 1.00 1.53 C ATOM 0 HA PRO A 98 -12.095 -8.488 -14.194 1.00 1.46 H new ATOM 0 HB2 PRO A 98 -11.672 -6.032 -15.251 1.00 1.83 H new ATOM 0 HB3 PRO A 98 -12.754 -6.135 -13.876 1.00 1.83 H new ATOM 0 HG2 PRO A 98 -9.928 -5.166 -13.989 1.00 1.83 H new ATOM 0 HG3 PRO A 98 -11.235 -4.644 -12.945 1.00 1.83 H new ATOM 0 HD2 PRO A 98 -9.168 -6.533 -12.301 1.00 1.53 H new ATOM 0 HD3 PRO A 98 -10.534 -6.089 -11.296 1.00 1.53 H new ATOM 1564 N ARG A 99 -9.234 -8.953 -14.392 1.00 1.37 N ATOM 1565 CA ARG A 99 -8.106 -9.445 -15.182 1.00 1.57 C ATOM 1566 C ARG A 99 -8.601 -10.078 -16.476 1.00 1.88 C ATOM 1567 O ARG A 99 -8.450 -9.504 -17.551 1.00 2.42 O ATOM 1568 CB ARG A 99 -7.237 -10.435 -14.381 1.00 2.01 C ATOM 1569 CG ARG A 99 -7.821 -10.899 -13.046 1.00 1.97 C ATOM 1570 CD ARG A 99 -8.972 -11.883 -13.207 1.00 2.58 C ATOM 1571 NE ARG A 99 -8.563 -13.100 -13.911 1.00 3.49 N ATOM 1572 CZ ARG A 99 -9.339 -14.177 -14.059 1.00 4.43 C ATOM 1573 NH1 ARG A 99 -10.559 -14.203 -13.530 1.00 4.69 N ATOM 1574 NH2 ARG A 99 -8.889 -15.231 -14.723 1.00 5.41 N ATOM 0 H ARG A 99 -9.245 -9.284 -13.427 1.00 1.37 H new ATOM 0 HA ARG A 99 -7.476 -8.591 -15.431 1.00 1.57 H new ATOM 0 HB2 ARG A 99 -7.053 -11.313 -15.001 1.00 2.01 H new ATOM 0 HB3 ARG A 99 -6.270 -9.970 -14.192 1.00 2.01 H new ATOM 0 HG2 ARG A 99 -7.033 -11.364 -12.454 1.00 1.97 H new ATOM 0 HG3 ARG A 99 -8.169 -10.030 -12.487 1.00 1.97 H new ATOM 0 HD2 ARG A 99 -9.362 -12.147 -12.224 1.00 2.58 H new ATOM 0 HD3 ARG A 99 -9.784 -11.404 -13.754 1.00 2.58 H new ATOM 0 HE ARG A 99 -7.626 -13.127 -14.314 1.00 3.49 H new ATOM 0 HH11 ARG A 99 -10.906 -13.398 -13.008 1.00 4.69 H new ATOM 0 HH12 ARG A 99 -11.148 -15.028 -13.646 1.00 4.69 H new ATOM 0 HH21 ARG A 99 -7.950 -15.220 -15.121 1.00 5.41 H new ATOM 0 HH22 ARG A 99 -9.481 -16.054 -14.836 1.00 5.41 H new ATOM 1588 N LYS A 100 -9.179 -11.260 -16.372 1.00 2.17 N ATOM 1589 CA LYS A 100 -9.933 -11.833 -17.466 1.00 2.96 C ATOM 1590 C LYS A 100 -11.298 -12.246 -16.960 1.00 3.80 C ATOM 1591 O LYS A 100 -11.432 -13.206 -16.205 1.00 4.60 O ATOM 1592 CB LYS A 100 -9.230 -13.033 -18.085 1.00 3.58 C ATOM 1593 CG LYS A 100 -7.857 -12.724 -18.666 1.00 4.14 C ATOM 1594 CD LYS A 100 -7.944 -11.736 -19.819 1.00 5.01 C ATOM 1595 CE LYS A 100 -6.567 -11.375 -20.354 1.00 5.79 C ATOM 1596 NZ LYS A 100 -5.709 -10.757 -19.308 1.00 6.34 N ATOM 0 H LYS A 100 -9.139 -11.843 -15.536 1.00 2.17 H new ATOM 0 HA LYS A 100 -10.025 -11.076 -18.245 1.00 2.96 H new ATOM 0 HB2 LYS A 100 -9.124 -13.809 -17.326 1.00 3.58 H new ATOM 0 HB3 LYS A 100 -9.862 -13.442 -18.874 1.00 3.58 H new ATOM 0 HG2 LYS A 100 -7.215 -12.317 -17.885 1.00 4.14 H new ATOM 0 HG3 LYS A 100 -7.392 -13.647 -19.012 1.00 4.14 H new ATOM 0 HD2 LYS A 100 -8.545 -12.164 -20.621 1.00 5.01 H new ATOM 0 HD3 LYS A 100 -8.454 -10.832 -19.486 1.00 5.01 H new ATOM 0 HE2 LYS A 100 -6.081 -12.271 -20.739 1.00 5.79 H new ATOM 0 HE3 LYS A 100 -6.672 -10.685 -21.191 1.00 5.79 H new ATOM 0 HZ1 LYS A 100 -4.881 -10.314 -19.755 1.00 6.34 H new ATOM 0 HZ2 LYS A 100 -6.253 -10.035 -18.795 1.00 6.34 H new ATOM 0 HZ3 LYS A 100 -5.392 -11.490 -18.642 1.00 6.34 H new ATOM 1610 N LYS A 101 -12.296 -11.506 -17.370 1.00 3.82 N ATOM 1611 CA LYS A 101 -13.655 -11.713 -16.902 1.00 4.82 C ATOM 1612 C LYS A 101 -14.615 -11.712 -18.081 1.00 5.79 C ATOM 1613 O LYS A 101 -15.150 -12.788 -18.419 1.00 6.45 O ATOM 1614 CB LYS A 101 -14.070 -10.633 -15.891 1.00 5.01 C ATOM 1615 CG LYS A 101 -13.374 -10.729 -14.536 1.00 4.42 C ATOM 1616 CD LYS A 101 -13.482 -12.129 -13.947 1.00 5.04 C ATOM 1617 CE LYS A 101 -13.321 -12.130 -12.435 1.00 4.78 C ATOM 1618 NZ LYS A 101 -14.488 -11.513 -11.751 1.00 5.64 N ATOM 1619 OXT LYS A 101 -14.808 -10.638 -18.688 1.00 6.10 O ATOM 0 H LYS A 101 -12.196 -10.741 -18.038 1.00 3.82 H new ATOM 0 HA LYS A 101 -13.694 -12.680 -16.400 1.00 4.82 H new ATOM 0 HB2 LYS A 101 -13.864 -9.653 -16.322 1.00 5.01 H new ATOM 0 HB3 LYS A 101 -15.147 -10.694 -15.736 1.00 5.01 H new ATOM 0 HG2 LYS A 101 -12.323 -10.460 -14.646 1.00 4.42 H new ATOM 0 HG3 LYS A 101 -13.816 -10.009 -13.847 1.00 4.42 H new ATOM 0 HD2 LYS A 101 -14.450 -12.557 -14.208 1.00 5.04 H new ATOM 0 HD3 LYS A 101 -12.720 -12.768 -14.392 1.00 5.04 H new ATOM 0 HE2 LYS A 101 -13.195 -13.154 -12.084 1.00 4.78 H new ATOM 0 HE3 LYS A 101 -12.415 -11.587 -12.166 1.00 4.78 H new ATOM 0 HZ1 LYS A 101 -14.475 -11.769 -10.743 1.00 5.64 H new ATOM 0 HZ2 LYS A 101 -14.439 -10.479 -11.846 1.00 5.64 H new ATOM 0 HZ3 LYS A 101 -15.368 -11.859 -12.185 1.00 5.64 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 12.735 0.400 12.053 1.00 3.81 N ATOM 1635 CA MET B 1 12.502 -0.876 12.763 1.00 3.21 C ATOM 1636 C MET B 1 11.012 -1.119 12.908 1.00 2.41 C ATOM 1637 O MET B 1 10.472 -1.106 14.016 1.00 2.60 O ATOM 1638 CB MET B 1 13.163 -0.869 14.146 1.00 3.84 C ATOM 1639 CG MET B 1 14.681 -0.818 14.106 1.00 4.40 C ATOM 1640 SD MET B 1 15.409 -0.754 15.756 1.00 5.09 S ATOM 1641 CE MET B 1 17.153 -0.710 15.351 1.00 5.69 C ATOM 0 H1 MET B 1 13.657 0.367 11.573 1.00 3.81 H new ATOM 0 H2 MET B 1 11.984 0.548 11.349 1.00 3.81 H new ATOM 0 H3 MET B 1 12.728 1.184 12.736 1.00 3.81 H new ATOM 0 HA MET B 1 12.949 -1.678 12.176 1.00 3.21 H new ATOM 0 HB2 MET B 1 12.796 -0.011 14.708 1.00 3.84 H new ATOM 0 HB3 MET B 1 12.854 -1.762 14.689 1.00 3.84 H new ATOM 0 HG2 MET B 1 15.058 -1.695 13.579 1.00 4.40 H new ATOM 0 HG3 MET B 1 14.998 0.056 13.538 1.00 4.40 H new ATOM 0 HE1 MET B 1 17.739 -0.669 16.269 1.00 5.69 H new ATOM 0 HE2 MET B 1 17.419 -1.606 14.791 1.00 5.69 H new ATOM 0 HE3 MET B 1 17.364 0.172 14.746 1.00 5.69 H new ATOM 1653 N ALA B 2 10.345 -1.317 11.780 1.00 1.66 N ATOM 1654 CA ALA B 2 8.933 -1.614 11.775 1.00 0.98 C ATOM 1655 C ALA B 2 8.698 -3.028 12.255 1.00 0.81 C ATOM 1656 O ALA B 2 8.615 -3.977 11.481 1.00 0.91 O ATOM 1657 CB ALA B 2 8.304 -1.390 10.417 1.00 0.82 C ATOM 0 H ALA B 2 10.769 -1.275 10.853 1.00 1.66 H new ATOM 0 HA ALA B 2 8.447 -0.921 12.462 1.00 0.98 H new ATOM 0 HB1 ALA B 2 7.241 -1.627 10.465 1.00 0.82 H new ATOM 0 HB2 ALA B 2 8.430 -0.347 10.125 1.00 0.82 H new ATOM 0 HB3 ALA B 2 8.787 -2.034 9.682 1.00 0.82 H new ATOM 1663 N SER B 3 8.696 -3.135 13.557 1.00 0.80 N ATOM 1664 CA SER B 3 8.153 -4.258 14.303 1.00 0.78 C ATOM 1665 C SER B 3 6.711 -4.562 13.807 1.00 0.65 C ATOM 1666 O SER B 3 6.384 -4.189 12.688 1.00 0.83 O ATOM 1667 CB SER B 3 8.223 -3.868 15.784 1.00 0.97 C ATOM 1668 OG SER B 3 9.417 -3.147 16.050 1.00 1.18 O ATOM 0 H SER B 3 9.089 -2.413 14.161 1.00 0.80 H new ATOM 0 HA SER B 3 8.716 -5.179 14.155 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.357 -3.261 16.048 1.00 0.97 H new ATOM 0 HB3 SER B 3 8.185 -4.763 16.405 1.00 0.97 H new ATOM 0 HG SER B 3 9.447 -2.903 16.999 1.00 1.18 H new ATOM 1674 N PRO B 4 5.854 -5.313 14.542 1.00 0.67 N ATOM 1675 CA PRO B 4 4.459 -5.593 14.137 1.00 0.62 C ATOM 1676 C PRO B 4 3.712 -4.510 13.308 1.00 0.47 C ATOM 1677 O PRO B 4 2.682 -4.822 12.742 1.00 0.50 O ATOM 1678 CB PRO B 4 3.784 -5.791 15.482 1.00 0.79 C ATOM 1679 CG PRO B 4 4.803 -6.524 16.277 1.00 0.97 C ATOM 1680 CD PRO B 4 6.146 -6.002 15.824 1.00 0.88 C ATOM 0 HA PRO B 4 4.439 -6.432 13.441 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.523 -4.839 15.944 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.861 -6.363 15.388 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.660 -6.355 17.344 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.727 -7.599 16.111 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.575 -5.317 16.556 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.863 -6.812 15.687 1.00 0.88 H new ATOM 1688 N LEU B 5 4.202 -3.263 13.233 1.00 0.36 N ATOM 1689 CA LEU B 5 3.526 -2.213 12.452 1.00 0.32 C ATOM 1690 C LEU B 5 3.380 -2.592 10.992 1.00 0.30 C ATOM 1691 O LEU B 5 2.310 -2.438 10.415 1.00 0.32 O ATOM 1692 CB LEU B 5 4.270 -0.881 12.528 1.00 0.32 C ATOM 1693 CG LEU B 5 3.872 0.150 11.456 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.640 1.506 12.098 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.942 0.271 10.377 1.00 0.27 C ATOM 0 H LEU B 5 5.056 -2.958 13.699 1.00 0.36 H new ATOM 0 HA LEU B 5 2.537 -2.107 12.898 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.101 -0.443 13.512 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.339 -1.074 12.445 1.00 0.32 H new ATOM 0 HG LEU B 5 2.951 -0.196 10.987 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.359 2.228 11.331 1.00 0.41 H new ATOM 0 HD12 LEU B 5 2.840 1.428 12.834 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.555 1.837 12.590 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.630 1.007 9.636 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.881 0.588 10.830 1.00 0.27 H new ATOM 0 HD23 LEU B 5 5.081 -0.695 9.892 1.00 0.27 H new ATOM 1707 N GLU B 6 4.453 -3.059 10.380 1.00 0.35 N ATOM 1708 CA GLU B 6 4.392 -3.398 8.975 1.00 0.42 C ATOM 1709 C GLU B 6 3.457 -4.604 8.788 1.00 0.34 C ATOM 1710 O GLU B 6 2.662 -4.699 7.840 1.00 0.32 O ATOM 1711 CB GLU B 6 5.781 -3.674 8.429 1.00 0.62 C ATOM 1712 CG GLU B 6 6.145 -2.832 7.207 1.00 1.80 C ATOM 1713 CD GLU B 6 6.170 -1.339 7.489 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.089 -0.723 7.518 1.00 3.61 O ATOM 1715 OE2 GLU B 6 7.271 -0.782 7.679 1.00 3.32 O ATOM 0 H GLU B 6 5.359 -3.209 10.825 1.00 0.35 H new ATOM 0 HA GLU B 6 3.990 -2.556 8.411 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.513 -3.490 9.216 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.854 -4.729 8.166 1.00 0.62 H new ATOM 0 HG2 GLU B 6 7.124 -3.141 6.840 1.00 1.80 H new ATOM 0 HG3 GLU B 6 5.428 -3.032 6.411 1.00 1.80 H new ATOM 1722 N LYS B 7 3.525 -5.515 9.742 1.00 0.35 N ATOM 1723 CA LYS B 7 2.597 -6.630 9.799 1.00 0.36 C ATOM 1724 C LYS B 7 1.195 -6.129 10.162 1.00 0.32 C ATOM 1725 O LYS B 7 0.206 -6.830 9.985 1.00 0.35 O ATOM 1726 CB LYS B 7 3.090 -7.698 10.780 1.00 0.44 C ATOM 1727 CG LYS B 7 4.494 -8.232 10.470 1.00 0.64 C ATOM 1728 CD LYS B 7 4.552 -9.219 9.293 1.00 0.80 C ATOM 1729 CE LYS B 7 4.201 -8.583 7.954 1.00 1.78 C ATOM 1730 NZ LYS B 7 2.811 -8.908 7.528 1.00 2.82 N ATOM 0 H LYS B 7 4.217 -5.504 10.491 1.00 0.35 H new ATOM 0 HA LYS B 7 2.543 -7.097 8.815 1.00 0.36 H new ATOM 0 HB2 LYS B 7 3.086 -7.281 11.787 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.387 -8.531 10.777 1.00 0.44 H new ATOM 0 HG2 LYS B 7 5.151 -7.389 10.254 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.887 -8.723 11.360 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.554 -9.644 9.234 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.867 -10.044 9.486 1.00 0.80 H new ATOM 0 HE2 LYS B 7 4.314 -7.501 8.026 1.00 1.78 H new ATOM 0 HE3 LYS B 7 4.903 -8.927 7.194 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.487 -8.205 6.833 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 2.792 -9.854 7.097 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 2.182 -8.892 8.356 1.00 2.82 H new ATOM 1744 N ALA B 8 1.125 -4.925 10.714 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.143 -4.279 11.008 1.00 0.29 C ATOM 1746 C ALA B 8 -0.757 -3.693 9.747 1.00 0.27 C ATOM 1747 O ALA B 8 -1.968 -3.507 9.680 1.00 0.28 O ATOM 1748 CB ALA B 8 0.012 -3.207 12.073 1.00 0.32 C ATOM 0 H ALA B 8 1.943 -4.372 10.969 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.816 -5.042 11.398 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.956 -2.745 12.268 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.390 -3.658 12.991 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.713 -2.448 11.726 1.00 0.32 H new ATOM 1754 N LEU B 9 0.065 -3.386 8.740 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.496 -3.079 7.424 1.00 0.25 C ATOM 1756 C LEU B 9 -1.178 -4.339 6.916 1.00 0.25 C ATOM 1757 O LEU B 9 -2.164 -4.302 6.194 1.00 0.26 O ATOM 1758 CB LEU B 9 0.555 -2.644 6.397 1.00 0.26 C ATOM 1759 CG LEU B 9 1.852 -2.067 6.946 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.809 -1.791 5.806 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.615 -0.803 7.755 1.00 0.27 C ATOM 0 H LEU B 9 1.082 -3.344 8.804 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.184 -2.242 7.540 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.802 -3.506 5.777 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.102 -1.900 5.742 1.00 0.26 H new ATOM 0 HG LEU B 9 2.288 -2.804 7.620 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.737 -1.378 6.202 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.022 -2.720 5.277 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.358 -1.076 5.117 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.567 -0.426 8.127 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.148 -0.048 7.122 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.959 -1.027 8.596 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.626 -5.475 7.307 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.296 -6.758 7.041 1.00 0.28 C ATOM 1775 C ASP B 10 -2.627 -6.821 7.807 1.00 0.27 C ATOM 1776 O ASP B 10 -3.623 -7.382 7.335 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.404 -7.939 7.423 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.013 -9.280 7.059 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.850 -9.794 7.828 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -0.636 -9.838 6.012 1.00 1.15 O ATOM 0 H ASP B 10 0.264 -5.547 7.800 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.495 -6.825 5.971 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.560 -7.836 6.925 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.213 -7.912 8.496 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.651 -6.217 8.989 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.885 -6.076 9.742 1.00 0.27 C ATOM 1787 C VAL B 11 -4.864 -5.180 8.977 1.00 0.27 C ATOM 1788 O VAL B 11 -6.075 -5.302 9.126 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.617 -5.510 11.156 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.915 -5.242 11.896 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.748 -6.472 11.953 1.00 0.31 C ATOM 0 H VAL B 11 -1.830 -5.818 9.444 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.329 -7.064 9.862 1.00 0.27 H new ATOM 0 HB VAL B 11 -3.090 -4.563 11.044 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.694 -4.845 12.887 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.509 -4.517 11.339 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.476 -6.171 11.995 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.567 -6.061 12.946 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.257 -7.432 12.044 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.797 -6.613 11.440 1.00 0.31 H new ATOM 1801 N MET B 12 -4.323 -4.299 8.135 1.00 0.26 N ATOM 1802 CA MET B 12 -5.136 -3.492 7.227 1.00 0.29 C ATOM 1803 C MET B 12 -5.815 -4.382 6.180 1.00 0.29 C ATOM 1804 O MET B 12 -6.918 -4.081 5.717 1.00 0.33 O ATOM 1805 CB MET B 12 -4.282 -2.383 6.582 1.00 0.32 C ATOM 1806 CG MET B 12 -4.612 -2.064 5.130 1.00 0.98 C ATOM 1807 SD MET B 12 -3.859 -3.223 3.962 1.00 2.23 S ATOM 1808 CE MET B 12 -4.265 -2.464 2.394 1.00 2.75 C ATOM 0 H MET B 12 -3.320 -4.126 8.064 1.00 0.26 H new ATOM 0 HA MET B 12 -5.926 -3.003 7.796 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.395 -1.473 7.171 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.233 -2.674 6.643 1.00 0.32 H new ATOM 0 HG2 MET B 12 -5.694 -2.076 4.998 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.274 -1.054 4.900 1.00 0.98 H new ATOM 0 HE1 MET B 12 -4.193 -3.208 1.600 1.00 2.75 H new ATOM 0 HE2 MET B 12 -5.281 -2.072 2.432 1.00 2.75 H new ATOM 0 HE3 MET B 12 -3.569 -1.650 2.193 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.162 -5.489 5.814 1.00 0.29 N ATOM 1819 CA VAL B 13 -5.827 -6.521 5.012 1.00 0.31 C ATOM 1820 C VAL B 13 -7.112 -6.947 5.715 1.00 0.27 C ATOM 1821 O VAL B 13 -8.188 -7.039 5.106 1.00 0.27 O ATOM 1822 CB VAL B 13 -4.946 -7.779 4.778 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.693 -8.805 3.941 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.628 -7.424 4.106 1.00 0.42 C ATOM 0 H VAL B 13 -4.192 -5.692 6.054 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.030 -6.082 4.035 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.723 -8.207 5.755 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.060 -9.679 3.787 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.604 -9.103 4.459 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -5.950 -8.369 2.976 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.039 -8.329 3.959 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -3.826 -6.959 3.140 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.074 -6.729 4.737 1.00 0.42 H new ATOM 1834 N SER B 14 -6.995 -7.173 7.017 1.00 0.26 N ATOM 1835 CA SER B 14 -8.149 -7.551 7.826 1.00 0.26 C ATOM 1836 C SER B 14 -9.115 -6.377 8.027 1.00 0.25 C ATOM 1837 O SER B 14 -10.318 -6.589 8.186 1.00 0.25 O ATOM 1838 CB SER B 14 -7.688 -8.111 9.173 1.00 0.31 C ATOM 1839 OG SER B 14 -6.808 -9.212 8.995 1.00 1.18 O ATOM 0 H SER B 14 -6.119 -7.102 7.534 1.00 0.26 H new ATOM 0 HA SER B 14 -8.694 -8.327 7.288 1.00 0.26 H new ATOM 0 HB2 SER B 14 -7.186 -7.329 9.743 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.554 -8.424 9.756 1.00 0.31 H new ATOM 0 HG SER B 14 -6.526 -9.551 9.870 1.00 1.18 H new ATOM 1845 N THR B 15 -8.589 -5.151 8.027 1.00 0.28 N ATOM 1846 CA THR B 15 -9.419 -3.946 8.027 1.00 0.32 C ATOM 1847 C THR B 15 -10.496 -4.066 6.946 1.00 0.28 C ATOM 1848 O THR B 15 -11.704 -3.933 7.197 1.00 0.29 O ATOM 1849 CB THR B 15 -8.564 -2.691 7.733 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.653 -2.431 8.811 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.437 -1.473 7.498 1.00 0.93 C ATOM 0 H THR B 15 -7.586 -4.966 8.027 1.00 0.28 H new ATOM 0 HA THR B 15 -9.876 -3.847 9.011 1.00 0.32 H new ATOM 0 HB THR B 15 -7.994 -2.890 6.825 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.132 -1.625 8.612 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.807 -0.607 7.294 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.092 -1.654 6.646 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.041 -1.281 8.385 1.00 0.93 H new ATOM 1859 N PHE B 16 -10.025 -4.364 5.746 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.872 -4.465 4.575 1.00 0.27 C ATOM 1861 C PHE B 16 -11.935 -5.542 4.704 1.00 0.29 C ATOM 1862 O PHE B 16 -13.126 -5.239 4.647 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.012 -4.730 3.354 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.789 -4.940 2.087 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.148 -3.865 1.296 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -11.151 -6.215 1.684 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -11.856 -4.056 0.128 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -11.857 -6.413 0.518 1.00 2.27 C ATOM 1869 CZ PHE B 16 -12.211 -5.330 -0.261 1.00 2.36 C ATOM 0 H PHE B 16 -9.038 -4.543 5.559 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.398 -3.516 4.472 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.331 -3.891 3.214 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.398 -5.611 3.540 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -10.871 -2.865 1.596 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -10.876 -7.064 2.292 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -12.132 -3.208 -0.481 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -12.133 -7.412 0.214 1.00 2.27 H new ATOM 0 HZ PHE B 16 -12.766 -5.481 -1.175 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.512 -6.792 4.871 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.456 -7.915 4.903 1.00 0.40 C ATOM 1881 C HIS B 17 -13.489 -7.744 6.004 1.00 0.36 C ATOM 1882 O HIS B 17 -14.578 -8.312 5.938 1.00 0.42 O ATOM 1883 CB HIS B 17 -11.725 -9.243 5.077 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.180 -9.801 3.799 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -9.923 -10.344 3.692 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -11.745 -9.927 2.572 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -9.736 -10.779 2.464 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -10.824 -10.539 1.765 1.00 2.20 N ATOM 0 H HIS B 17 -10.533 -7.056 4.986 1.00 0.31 H new ATOM 0 HA HIS B 17 -12.975 -7.924 3.945 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -10.905 -9.107 5.783 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -12.408 -9.969 5.518 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -12.735 -9.605 2.286 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -8.840 -11.253 2.093 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -10.960 -10.771 0.781 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.143 -6.953 7.003 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.055 -6.636 8.080 1.00 0.39 C ATOM 1899 C LYS B 18 -15.224 -5.795 7.577 1.00 0.37 C ATOM 1900 O LYS B 18 -16.379 -6.096 7.868 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.308 -5.900 9.183 1.00 0.43 C ATOM 1902 CG LYS B 18 -14.199 -5.411 10.313 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.414 -5.268 11.605 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.176 -4.405 11.427 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.351 -4.366 12.662 1.00 1.28 N ATOM 0 H LYS B 18 -12.226 -6.515 7.088 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.460 -7.566 8.479 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.546 -6.561 9.595 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.788 -5.046 8.748 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.640 -4.451 10.043 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -15.022 -6.110 10.460 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -14.054 -4.830 12.371 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -13.120 -6.255 11.961 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.578 -4.792 10.602 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.474 -3.392 11.157 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -10.515 -3.768 12.502 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -11.914 -3.973 13.443 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -11.045 -5.330 12.906 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.921 -4.751 6.814 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.959 -3.862 6.299 1.00 0.29 C ATOM 1921 C TYR B 19 -16.633 -4.423 5.056 1.00 0.33 C ATOM 1922 O TYR B 19 -17.844 -4.309 4.904 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.399 -2.476 6.013 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.172 -1.672 7.267 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.028 -1.849 8.028 1.00 1.23 C ATOM 1926 CD2 TYR B 19 -16.109 -0.741 7.694 1.00 1.28 C ATOM 1927 CE1 TYR B 19 -13.821 -1.119 9.175 1.00 1.26 C ATOM 1928 CE2 TYR B 19 -15.908 -0.005 8.843 1.00 1.35 C ATOM 1929 CZ TYR B 19 -14.762 -0.198 9.579 1.00 0.62 C ATOM 1930 OH TYR B 19 -14.547 0.539 10.719 1.00 0.79 O ATOM 0 H TYR B 19 -13.972 -4.499 6.539 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.718 -3.782 7.078 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.457 -2.573 5.473 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.087 -1.938 5.361 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.288 -2.571 7.716 1.00 1.23 H new ATOM 0 HD2 TYR B 19 -17.010 -0.591 7.117 1.00 1.28 H new ATOM 0 HE1 TYR B 19 -12.923 -1.267 9.757 1.00 1.26 H new ATOM 0 HE2 TYR B 19 -16.645 0.717 9.162 1.00 1.35 H new ATOM 0 HH TYR B 19 -13.736 1.079 10.612 1.00 0.79 H new ATOM 1940 N SER B 20 -15.853 -5.029 4.173 1.00 0.29 N ATOM 1941 CA SER B 20 -16.398 -5.607 2.953 1.00 0.32 C ATOM 1942 C SER B 20 -17.263 -6.815 3.273 1.00 0.40 C ATOM 1943 O SER B 20 -18.144 -7.181 2.505 1.00 0.60 O ATOM 1944 CB SER B 20 -15.263 -6.027 2.027 1.00 0.35 C ATOM 1945 OG SER B 20 -14.343 -4.970 1.865 1.00 0.86 O ATOM 0 H SER B 20 -14.844 -5.133 4.278 1.00 0.29 H new ATOM 0 HA SER B 20 -17.013 -4.854 2.460 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.755 -6.900 2.437 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.666 -6.319 1.057 1.00 0.35 H new ATOM 0 HG SER B 20 -13.535 -5.304 1.422 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.004 -7.432 4.416 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.749 -8.604 4.806 1.00 0.43 C ATOM 1953 C GLY B 21 -18.939 -8.271 5.676 1.00 0.41 C ATOM 1954 O GLY B 21 -19.378 -9.095 6.480 1.00 0.46 O ATOM 0 H GLY B 21 -16.288 -7.138 5.080 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.091 -9.127 3.913 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.091 -9.287 5.343 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.463 -7.062 5.529 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.645 -6.667 6.281 1.00 0.46 C ATOM 1960 C LYS B 22 -21.897 -6.787 5.410 1.00 0.52 C ATOM 1961 O LYS B 22 -22.842 -7.491 5.766 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.500 -5.254 6.841 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.218 -5.021 7.619 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.157 -3.636 8.270 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.400 -2.494 7.286 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.847 -2.233 7.069 1.00 1.08 N ATOM 0 H LYS B 22 -19.094 -6.346 4.904 1.00 0.41 H new ATOM 0 HA LYS B 22 -20.749 -7.345 7.128 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.546 -4.542 6.017 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.349 -5.044 7.491 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.125 -5.784 8.392 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.366 -5.140 6.949 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -19.899 -3.584 9.067 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.180 -3.504 8.735 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.922 -1.588 7.659 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -18.929 -2.733 6.332 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.997 -1.215 6.916 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.174 -2.761 6.234 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.384 -2.540 7.905 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.902 -6.113 4.265 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.014 -6.196 3.324 1.00 0.54 C ATOM 1982 C GLU B 23 -22.488 -6.357 1.896 1.00 0.58 C ATOM 1983 O GLU B 23 -21.337 -6.033 1.613 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.893 -4.940 3.446 1.00 0.67 C ATOM 1985 CG GLU B 23 -25.132 -4.946 2.562 1.00 1.15 C ATOM 1986 CD GLU B 23 -26.007 -6.162 2.783 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.857 -6.134 3.701 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -25.851 -7.152 2.040 1.00 2.38 O ATOM 0 H GLU B 23 -21.144 -5.500 3.965 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.621 -7.069 3.561 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -24.204 -4.830 4.485 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.291 -4.066 3.199 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.715 -4.045 2.755 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -24.826 -4.910 1.516 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.328 -6.872 1.007 1.00 0.72 N ATOM 1996 CA GLY B 24 -22.918 -7.089 -0.365 1.00 0.85 C ATOM 1997 C GLY B 24 -22.039 -8.312 -0.504 1.00 0.79 C ATOM 1998 O GLY B 24 -22.396 -9.396 -0.037 1.00 0.92 O ATOM 0 H GLY B 24 -24.289 -7.144 1.214 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -23.801 -7.203 -0.994 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.380 -6.212 -0.726 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.886 -8.140 -1.138 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.917 -9.222 -1.275 1.00 0.70 C ATOM 2004 C ASP B 25 -19.118 -9.366 0.008 1.00 0.73 C ATOM 2005 O ASP B 25 -19.574 -8.994 1.079 1.00 1.34 O ATOM 2006 CB ASP B 25 -18.955 -8.966 -2.444 1.00 0.72 C ATOM 2007 CG ASP B 25 -19.622 -9.094 -3.798 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -20.533 -8.299 -4.105 1.00 1.64 O ATOM 2009 OD2 ASP B 25 -19.233 -10.000 -4.564 1.00 1.75 O ATOM 0 H ASP B 25 -20.598 -7.260 -1.566 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.469 -10.140 -1.475 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -18.532 -7.966 -2.347 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.125 -9.671 -2.386 1.00 0.72 H new ATOM 2014 N LYS B 26 -17.941 -9.939 -0.108 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.029 -10.054 1.011 1.00 0.56 C ATOM 2016 C LYS B 26 -15.653 -9.538 0.602 1.00 0.49 C ATOM 2017 O LYS B 26 -14.755 -9.352 1.425 1.00 0.55 O ATOM 2018 CB LYS B 26 -16.961 -11.522 1.437 1.00 0.71 C ATOM 2019 CG LYS B 26 -15.784 -11.853 2.322 1.00 1.03 C ATOM 2020 CD LYS B 26 -15.933 -11.256 3.713 1.00 0.70 C ATOM 2021 CE LYS B 26 -14.796 -11.677 4.629 1.00 0.94 C ATOM 2022 NZ LYS B 26 -14.718 -13.155 4.779 1.00 1.56 N ATOM 0 H LYS B 26 -17.588 -10.338 -0.978 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.379 -9.456 1.853 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -17.881 -11.780 1.962 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -16.918 -12.147 0.545 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -15.682 -12.935 2.401 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -14.869 -11.479 1.863 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -15.959 -10.169 3.642 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -16.883 -11.570 4.144 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -13.853 -11.303 4.231 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -14.932 -11.220 5.609 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -14.140 -13.389 5.611 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -15.675 -13.542 4.903 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -14.285 -13.568 3.929 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.520 -9.245 -0.677 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.218 -9.016 -1.273 1.00 0.43 C ATOM 2038 C PHE B 27 -14.152 -7.624 -1.877 1.00 0.39 C ATOM 2039 O PHE B 27 -13.178 -7.271 -2.543 1.00 0.40 O ATOM 2040 CB PHE B 27 -13.952 -10.065 -2.357 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.425 -11.450 -1.997 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -13.692 -12.249 -1.138 1.00 1.28 C ATOM 2043 CD2 PHE B 27 -15.609 -11.948 -2.520 1.00 1.76 C ATOM 2044 CE1 PHE B 27 -14.128 -13.519 -0.807 1.00 1.59 C ATOM 2045 CE2 PHE B 27 -16.049 -13.216 -2.193 1.00 2.08 C ATOM 2046 CZ PHE B 27 -15.307 -14.002 -1.336 1.00 1.65 C ATOM 0 H PHE B 27 -16.302 -9.160 -1.326 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.457 -9.098 -0.497 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.442 -9.753 -3.279 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -12.882 -10.099 -2.561 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -12.768 -11.877 -0.721 1.00 1.28 H new ATOM 0 HD2 PHE B 27 -16.194 -11.337 -3.191 1.00 1.76 H new ATOM 0 HE1 PHE B 27 -13.546 -14.132 -0.135 1.00 1.59 H new ATOM 0 HE2 PHE B 27 -16.973 -13.591 -2.608 1.00 2.08 H new ATOM 0 HZ PHE B 27 -15.649 -14.994 -1.080 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.195 -6.837 -1.634 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.304 -5.506 -2.206 1.00 0.36 C ATOM 2058 C LYS B 28 -16.096 -4.587 -1.300 1.00 0.34 C ATOM 2059 O LYS B 28 -17.046 -5.007 -0.638 1.00 0.37 O ATOM 2060 CB LYS B 28 -15.968 -5.535 -3.581 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.140 -6.177 -4.677 1.00 0.49 C ATOM 2062 CD LYS B 28 -15.732 -5.863 -6.035 1.00 0.56 C ATOM 2063 CE LYS B 28 -14.899 -6.438 -7.164 1.00 0.86 C ATOM 2064 NZ LYS B 28 -15.362 -5.954 -8.492 1.00 1.70 N ATOM 0 H LYS B 28 -15.980 -7.103 -1.040 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.287 -5.128 -2.312 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -16.914 -6.070 -3.500 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.204 -4.513 -3.876 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.114 -5.813 -4.627 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.103 -7.256 -4.529 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -16.744 -6.264 -6.091 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -15.810 -4.782 -6.156 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -13.854 -6.164 -7.021 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -14.950 -7.526 -7.136 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -15.231 -6.705 -9.200 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -16.369 -5.701 -8.437 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -14.809 -5.117 -8.769 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.693 -3.332 -1.289 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.370 -2.308 -0.528 1.00 0.28 C ATOM 2080 C LEU B 29 -17.309 -1.523 -1.408 1.00 0.30 C ATOM 2081 O LEU B 29 -16.884 -0.737 -2.256 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.366 -1.348 0.094 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.492 -1.938 1.184 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.253 -1.092 1.352 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.266 -2.014 2.491 1.00 0.25 C ATOM 0 H LEU B 29 -14.884 -2.995 -1.810 1.00 0.31 H new ATOM 0 HA LEU B 29 -16.937 -2.804 0.259 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -14.722 -0.961 -0.695 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -15.909 -0.498 0.507 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.195 -2.948 0.901 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.626 -1.517 2.136 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.698 -1.070 0.414 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.540 -0.077 1.627 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.629 -2.439 3.267 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.579 -1.013 2.787 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.145 -2.645 2.357 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.578 -1.742 -1.190 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.623 -0.949 -1.793 1.00 0.35 C ATOM 2099 C ASN B 30 -19.576 0.428 -1.158 1.00 0.32 C ATOM 2100 O ASN B 30 -19.033 0.549 -0.063 1.00 0.30 O ATOM 2101 CB ASN B 30 -20.955 -1.643 -1.534 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.097 -2.049 -0.074 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -21.717 -1.343 0.720 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -20.470 -3.166 0.301 1.00 0.42 N ATOM 0 H ASN B 30 -18.923 -2.485 -0.582 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.495 -0.845 -2.871 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.773 -0.977 -1.809 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.036 -2.526 -2.168 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -20.494 -3.461 1.277 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -19.966 -3.724 -0.388 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.111 1.458 -1.818 1.00 0.35 N ATOM 2112 CA LYS B 31 -19.969 2.826 -1.306 1.00 0.34 C ATOM 2113 C LYS B 31 -20.318 2.903 0.168 1.00 0.31 C ATOM 2114 O LYS B 31 -19.623 3.556 0.926 1.00 0.30 O ATOM 2115 CB LYS B 31 -20.827 3.841 -2.060 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.214 4.316 -3.368 1.00 0.68 C ATOM 2117 CD LYS B 31 -20.995 5.474 -3.986 1.00 0.71 C ATOM 2118 CE LYS B 31 -22.330 5.035 -4.576 1.00 1.15 C ATOM 2119 NZ LYS B 31 -23.382 4.825 -3.541 1.00 1.99 N ATOM 0 H LYS B 31 -20.636 1.377 -2.689 1.00 0.35 H new ATOM 0 HA LYS B 31 -18.921 3.082 -1.459 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -21.801 3.397 -2.267 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.001 4.704 -1.417 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -19.184 4.628 -3.192 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -20.180 3.486 -4.074 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -21.171 6.235 -3.226 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -20.392 5.938 -4.767 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -22.672 5.787 -5.287 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -22.188 4.110 -5.135 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -23.567 3.807 -3.435 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.058 5.214 -2.633 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -24.256 5.307 -3.832 1.00 1.99 H new ATOM 2133 N SER B 32 -21.373 2.202 0.562 1.00 0.34 N ATOM 2134 CA SER B 32 -21.835 2.205 1.943 1.00 0.37 C ATOM 2135 C SER B 32 -20.685 1.932 2.905 1.00 0.34 C ATOM 2136 O SER B 32 -20.391 2.725 3.802 1.00 0.37 O ATOM 2137 CB SER B 32 -22.896 1.123 2.117 1.00 0.45 C ATOM 2138 OG SER B 32 -23.878 1.206 1.097 1.00 1.33 O ATOM 0 H SER B 32 -21.930 1.619 -0.063 1.00 0.34 H new ATOM 0 HA SER B 32 -22.250 3.188 2.167 1.00 0.37 H new ATOM 0 HB2 SER B 32 -22.425 0.140 2.095 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.370 1.227 3.093 1.00 0.45 H new ATOM 0 HG SER B 32 -24.546 0.502 1.228 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.040 0.804 2.692 1.00 0.32 N ATOM 2145 CA GLU B 33 -18.995 0.326 3.559 1.00 0.34 C ATOM 2146 C GLU B 33 -17.638 0.908 3.207 1.00 0.30 C ATOM 2147 O GLU B 33 -16.757 0.992 4.060 1.00 0.32 O ATOM 2148 CB GLU B 33 -19.038 -1.170 3.461 1.00 0.44 C ATOM 2149 CG GLU B 33 -20.374 -1.649 3.963 1.00 0.59 C ATOM 2150 CD GLU B 33 -20.601 -3.116 3.832 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -20.096 -3.728 2.879 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -21.323 -3.645 4.685 1.00 2.32 O ATOM 0 H GLU B 33 -20.233 0.189 1.901 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.154 0.649 4.588 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.887 -1.485 2.429 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -18.233 -1.610 4.050 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.472 -1.373 5.013 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -21.160 -1.124 3.420 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.474 1.306 1.956 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.337 2.105 1.548 1.00 0.33 C ATOM 2161 C LEU B 34 -16.292 3.363 2.402 1.00 0.29 C ATOM 2162 O LEU B 34 -15.247 3.750 2.915 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.484 2.476 0.075 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.373 3.343 -0.504 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.099 2.530 -0.641 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -15.801 3.924 -1.845 1.00 0.54 C ATOM 0 H LEU B 34 -18.123 1.084 1.201 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.413 1.542 1.680 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.543 1.557 -0.508 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.432 2.998 -0.056 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.177 4.173 0.174 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.310 3.157 -1.056 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -13.794 2.164 0.339 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.277 1.684 -1.305 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -14.998 4.541 -2.247 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.018 3.113 -2.540 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.694 4.534 -1.709 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.460 3.971 2.556 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.637 5.139 3.402 1.00 0.29 C ATOM 2180 C LYS B 35 -17.230 4.853 4.828 1.00 0.29 C ATOM 2181 O LYS B 35 -16.384 5.544 5.387 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.095 5.581 3.371 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.481 6.202 2.050 1.00 0.39 C ATOM 2184 CD LYS B 35 -20.983 6.233 1.816 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.644 7.433 2.459 1.00 0.70 C ATOM 2186 NZ LYS B 35 -21.827 7.266 3.926 1.00 1.29 N ATOM 0 H LYS B 35 -18.316 3.664 2.094 1.00 0.28 H new ATOM 0 HA LYS B 35 -16.998 5.933 3.016 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.736 4.722 3.566 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.271 6.299 4.172 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.093 7.220 2.008 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.006 5.645 1.242 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.181 6.244 0.744 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.428 5.321 2.213 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.040 8.321 2.270 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -22.614 7.603 1.992 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -22.648 7.822 4.239 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -21.985 6.262 4.144 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -20.975 7.598 4.422 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.833 3.830 5.414 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.583 3.505 6.806 1.00 0.32 C ATOM 2202 C GLU B 36 -16.122 3.203 7.028 1.00 0.31 C ATOM 2203 O GLU B 36 -15.521 3.684 7.977 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.415 2.313 7.246 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.885 2.520 7.013 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.725 1.349 7.479 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -20.945 0.415 6.684 1.00 1.31 O ATOM 2208 OE2 GLU B 36 -21.172 1.355 8.647 1.00 1.14 O ATOM 0 H GLU B 36 -18.497 3.213 4.947 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.866 4.373 7.402 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.086 1.425 6.706 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.241 2.124 8.305 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.207 3.422 7.534 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.060 2.686 5.950 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.560 2.404 6.148 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.159 2.075 6.228 1.00 0.26 C ATOM 2217 C LEU B 37 -13.322 3.343 6.116 1.00 0.27 C ATOM 2218 O LEU B 37 -12.545 3.647 6.994 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.803 1.073 5.127 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.405 0.463 5.219 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.395 -0.937 4.637 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.391 1.339 4.503 1.00 0.50 C ATOM 0 H LEU B 37 -16.055 1.971 5.368 1.00 0.27 H new ATOM 0 HA LEU B 37 -13.943 1.614 7.192 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.535 0.265 5.145 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -13.901 1.570 4.162 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.128 0.403 6.272 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.391 -1.355 4.711 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.092 -1.566 5.191 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.695 -0.898 3.590 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.402 0.888 4.580 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.667 1.431 3.453 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.375 2.327 4.962 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.515 4.107 5.059 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.722 5.313 4.849 1.00 0.29 C ATOM 2236 C LEU B 38 -12.823 6.275 6.031 1.00 0.30 C ATOM 2237 O LEU B 38 -11.816 6.769 6.518 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.152 6.013 3.566 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.266 5.743 2.354 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -10.879 6.315 2.587 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.185 4.253 2.057 1.00 0.43 C ATOM 0 H LEU B 38 -14.208 3.920 4.334 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.680 5.006 4.761 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.171 5.707 3.327 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.176 7.088 3.747 1.00 0.31 H new ATOM 0 HG LEU B 38 -12.710 6.233 1.488 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.253 6.118 1.717 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -10.951 7.391 2.746 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.436 5.848 3.466 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -11.547 4.089 1.188 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -11.766 3.733 2.918 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.184 3.868 1.851 1.00 0.43 H new ATOM 2253 N THR B 39 -14.035 6.534 6.477 1.00 0.31 N ATOM 2254 CA THR B 39 -14.273 7.412 7.618 1.00 0.33 C ATOM 2255 C THR B 39 -13.650 6.879 8.916 1.00 0.34 C ATOM 2256 O THR B 39 -13.086 7.638 9.707 1.00 0.38 O ATOM 2257 CB THR B 39 -15.787 7.614 7.830 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.443 6.348 7.971 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.395 8.356 6.656 1.00 0.34 C ATOM 0 H THR B 39 -14.884 6.146 6.065 1.00 0.31 H new ATOM 0 HA THR B 39 -13.793 8.362 7.384 1.00 0.33 H new ATOM 0 HB THR B 39 -15.924 8.200 8.738 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.549 5.934 7.089 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.464 8.489 6.824 1.00 0.34 H new ATOM 0 HG22 THR B 39 -15.919 9.332 6.556 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.240 7.782 5.743 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.759 5.578 9.120 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.349 4.938 10.370 1.00 0.36 C ATOM 2269 C ARG B 40 -11.892 4.496 10.372 1.00 0.40 C ATOM 2270 O ARG B 40 -11.237 4.538 11.414 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.298 3.770 10.641 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.627 4.225 11.213 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.672 3.128 11.149 1.00 0.56 C ATOM 2274 NE ARG B 40 -17.995 3.629 11.511 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.137 3.084 11.100 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.129 1.943 10.421 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.291 3.667 11.394 1.00 2.31 N ATOM 0 H ARG B 40 -14.134 4.930 8.427 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.416 5.671 11.174 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.472 3.225 9.714 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.826 3.075 11.335 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.490 4.536 12.249 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -15.981 5.097 10.662 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.702 2.711 10.142 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.392 2.317 11.822 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.047 4.448 12.117 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.244 1.480 10.212 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -20.007 1.529 10.108 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.302 4.532 11.934 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.167 3.251 11.080 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.380 4.089 9.226 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.002 3.638 9.134 1.00 0.46 C ATOM 2293 C GLU B 41 -9.101 4.799 8.721 1.00 0.54 C ATOM 2294 O GLU B 41 -7.950 4.878 9.127 1.00 0.85 O ATOM 2295 CB GLU B 41 -9.870 2.498 8.111 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.024 1.494 8.095 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.400 0.931 9.450 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -12.217 1.546 10.157 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -10.904 -0.149 9.822 1.00 1.30 O ATOM 0 H GLU B 41 -11.896 4.061 8.346 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.696 3.268 10.113 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -9.776 2.934 7.116 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -8.944 1.959 8.311 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -11.900 1.977 7.663 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -10.758 0.668 7.436 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.633 5.733 7.950 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.841 6.875 7.509 1.00 0.41 C ATOM 2308 C LEU B 42 -9.534 8.207 7.794 1.00 0.37 C ATOM 2309 O LEU B 42 -9.842 8.965 6.868 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.524 6.748 6.021 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.527 5.645 5.675 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -7.490 5.409 4.180 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.141 6.009 6.187 1.00 0.74 C ATOM 0 H LEU B 42 -10.598 5.727 7.618 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.913 6.869 8.080 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.452 6.564 5.480 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.131 7.700 5.664 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.850 4.724 6.160 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -6.773 4.619 3.954 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -8.480 5.111 3.834 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -7.190 6.327 3.674 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.439 5.214 5.934 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -5.816 6.941 5.725 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.174 6.133 7.269 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.765 8.522 9.085 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.361 9.794 9.507 1.00 0.43 C ATOM 2327 C PRO B 43 -9.644 10.999 8.928 1.00 0.45 C ATOM 2328 O PRO B 43 -10.255 12.025 8.661 1.00 0.49 O ATOM 2329 CB PRO B 43 -10.168 9.787 11.017 1.00 0.50 C ATOM 2330 CG PRO B 43 -10.156 8.350 11.383 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.485 7.647 10.241 1.00 0.44 C ATOM 0 HA PRO B 43 -11.396 9.874 9.175 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -9.236 10.277 11.300 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.974 10.319 11.523 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.615 8.188 12.315 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.169 7.975 11.533 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.414 7.537 10.411 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.889 6.645 10.093 1.00 0.44 H new ATOM 2339 N SER B 44 -8.340 10.865 8.757 1.00 0.45 N ATOM 2340 CA SER B 44 -7.525 11.944 8.241 1.00 0.47 C ATOM 2341 C SER B 44 -7.744 12.116 6.739 1.00 0.44 C ATOM 2342 O SER B 44 -8.036 13.223 6.266 1.00 0.45 O ATOM 2343 CB SER B 44 -6.057 11.664 8.542 1.00 0.51 C ATOM 2344 OG SER B 44 -5.222 12.730 8.129 1.00 0.59 O ATOM 0 H SER B 44 -7.823 10.012 8.971 1.00 0.45 H new ATOM 0 HA SER B 44 -7.817 12.874 8.730 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.931 11.497 9.612 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.751 10.747 8.038 1.00 0.51 H new ATOM 0 HG SER B 44 -4.289 12.515 8.340 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.654 11.002 6.003 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.693 11.041 4.543 1.00 0.41 C ATOM 2352 C PHE B 45 -8.929 11.775 4.061 1.00 0.41 C ATOM 2353 O PHE B 45 -8.836 12.760 3.327 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.663 9.639 3.932 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.525 9.680 2.435 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.306 9.983 1.850 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -8.615 9.447 1.615 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -6.176 10.046 0.477 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -8.493 9.513 0.241 1.00 2.38 C ATOM 2360 CZ PHE B 45 -7.272 9.812 -0.329 1.00 2.40 C ATOM 0 H PHE B 45 -7.554 10.066 6.397 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.800 11.574 4.216 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.832 9.076 4.357 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.577 9.108 4.197 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.447 10.172 2.476 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -9.573 9.211 2.055 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -5.219 10.278 0.034 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -9.352 9.331 -0.387 1.00 2.38 H new ATOM 0 HZ PHE B 45 -7.174 9.863 -1.403 1.00 2.40 H new ATOM 2370 N LEU B 46 -10.085 11.298 4.480 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.331 11.913 4.069 1.00 0.57 C ATOM 2372 C LEU B 46 -11.799 12.972 5.047 1.00 0.65 C ATOM 2373 O LEU B 46 -12.732 13.703 4.755 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.413 10.875 3.843 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.240 10.046 2.577 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.482 9.227 2.334 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.942 10.941 1.378 1.00 0.54 C ATOM 0 H LEU B 46 -10.187 10.494 5.099 1.00 0.45 H new ATOM 0 HA LEU B 46 -11.133 12.412 3.120 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.439 10.203 4.701 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.379 11.379 3.803 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.392 9.374 2.710 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.356 8.635 1.428 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.651 8.562 3.181 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.339 9.891 2.217 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.823 10.326 0.486 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.767 11.638 1.230 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -11.023 11.499 1.560 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.148 13.079 6.194 1.00 0.74 N ATOM 2390 CA GLY B 47 -11.440 14.188 7.086 1.00 0.90 C ATOM 2391 C GLY B 47 -11.200 15.498 6.376 1.00 0.89 C ATOM 2392 O GLY B 47 -11.759 16.537 6.724 1.00 0.99 O ATOM 0 H GLY B 47 -10.433 12.430 6.523 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -12.475 14.132 7.423 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.812 14.126 7.975 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.345 15.415 5.372 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.077 16.514 4.465 1.00 0.82 C ATOM 2398 C LYS B 48 -11.229 16.736 3.478 1.00 0.78 C ATOM 2399 O LYS B 48 -11.467 17.860 3.036 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.818 16.184 3.686 1.00 0.81 C ATOM 2401 CG LYS B 48 -8.075 17.400 3.160 1.00 1.08 C ATOM 2402 CD LYS B 48 -6.825 16.992 2.402 1.00 1.51 C ATOM 2403 CE LYS B 48 -6.047 18.203 1.920 1.00 2.27 C ATOM 2404 NZ LYS B 48 -4.809 17.811 1.198 1.00 3.17 N ATOM 0 H LYS B 48 -9.811 14.571 5.162 1.00 0.79 H new ATOM 0 HA LYS B 48 -9.960 17.427 5.049 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.147 15.611 4.327 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.082 15.542 2.846 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -8.730 17.975 2.505 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -7.804 18.052 3.991 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -6.190 16.383 3.046 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -7.101 16.373 1.549 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -6.677 18.802 1.263 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -5.788 18.831 2.772 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -4.305 18.665 0.884 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -4.196 17.261 1.833 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -5.058 17.233 0.370 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.938 15.664 3.127 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.918 15.719 2.045 1.00 0.81 C ATOM 2420 C ARG B 49 -13.933 14.570 2.153 1.00 0.74 C ATOM 2421 O ARG B 49 -13.740 13.507 1.567 1.00 1.00 O ATOM 2422 CB ARG B 49 -12.177 15.658 0.699 1.00 0.95 C ATOM 2423 CG ARG B 49 -12.853 16.403 -0.446 1.00 1.17 C ATOM 2424 CD ARG B 49 -14.169 15.765 -0.847 1.00 1.01 C ATOM 2425 NE ARG B 49 -14.697 16.323 -2.094 1.00 1.61 N ATOM 2426 CZ ARG B 49 -15.946 16.758 -2.259 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -16.777 16.829 -1.226 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -16.355 17.158 -3.456 1.00 2.50 N ATOM 0 H ARG B 49 -11.852 14.751 3.574 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.475 16.653 2.118 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -11.175 16.065 0.835 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -12.061 14.613 0.413 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -13.028 17.438 -0.151 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -12.185 16.426 -1.307 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -14.029 14.690 -0.962 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -14.898 15.908 -0.049 1.00 1.01 H new ATOM 0 HE ARG B 49 -14.065 16.383 -2.892 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -16.461 16.550 -0.297 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -17.731 17.163 -1.361 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -15.714 17.132 -4.249 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -17.311 17.491 -3.583 1.00 2.50 H new ATOM 2442 N THR B 50 -15.010 14.788 2.899 1.00 0.75 N ATOM 2443 CA THR B 50 -16.068 13.792 3.028 1.00 0.72 C ATOM 2444 C THR B 50 -17.364 14.296 2.415 1.00 0.82 C ATOM 2445 O THR B 50 -17.814 15.404 2.716 1.00 1.33 O ATOM 2446 CB THR B 50 -16.337 13.411 4.498 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.361 14.591 5.312 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.289 12.448 5.021 1.00 0.63 C ATOM 0 H THR B 50 -15.174 15.647 3.424 1.00 0.75 H new ATOM 0 HA THR B 50 -15.720 12.907 2.496 1.00 0.72 H new ATOM 0 HB THR B 50 -17.306 12.914 4.544 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.927 15.270 4.888 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.509 12.200 6.060 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.299 11.538 4.421 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.305 12.912 4.959 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.954 13.479 1.558 1.00 0.57 N ATOM 2457 CA ASP B 51 -19.224 13.792 0.916 1.00 0.61 C ATOM 2458 C ASP B 51 -19.620 12.630 0.028 1.00 0.58 C ATOM 2459 O ASP B 51 -18.749 11.873 -0.391 1.00 0.54 O ATOM 2460 CB ASP B 51 -19.123 15.075 0.082 1.00 0.68 C ATOM 2461 CG ASP B 51 -20.423 15.435 -0.609 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -21.295 16.052 0.031 1.00 1.77 O ATOM 2463 OD2 ASP B 51 -20.579 15.104 -1.799 1.00 2.01 O ATOM 0 H ASP B 51 -17.566 12.576 1.286 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.979 13.954 1.686 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -18.821 15.899 0.728 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -18.341 14.954 -0.667 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.905 12.469 -0.247 1.00 0.67 N ATOM 2469 CA GLU B 52 -21.364 11.378 -1.106 1.00 0.71 C ATOM 2470 C GLU B 52 -20.594 11.371 -2.420 1.00 0.66 C ATOM 2471 O GLU B 52 -20.127 10.325 -2.878 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.855 11.495 -1.386 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.696 11.420 -0.134 1.00 0.95 C ATOM 2474 CD GLU B 52 -23.427 10.173 0.681 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -23.727 9.061 0.196 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -22.911 10.300 1.814 1.00 1.90 O ATOM 0 H GLU B 52 -21.647 13.073 0.107 1.00 0.67 H new ATOM 0 HA GLU B 52 -21.180 10.441 -0.580 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -23.051 12.440 -1.893 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -23.155 10.699 -2.067 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.503 12.299 0.481 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -24.751 11.449 -0.408 1.00 0.95 H new ATOM 2483 N ALA B 53 -20.432 12.557 -2.992 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.707 12.717 -4.242 1.00 0.76 C ATOM 2485 C ALA B 53 -18.234 12.368 -4.064 1.00 0.66 C ATOM 2486 O ALA B 53 -17.597 11.869 -4.980 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.856 14.138 -4.762 1.00 0.91 C ATOM 0 H ALA B 53 -20.797 13.427 -2.605 1.00 0.71 H new ATOM 0 HA ALA B 53 -20.133 12.030 -4.974 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -19.308 14.242 -5.698 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.911 14.354 -4.933 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -19.457 14.838 -4.028 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.705 12.624 -2.878 1.00 0.59 N ATOM 2494 CA ALA B 54 -16.316 12.310 -2.572 1.00 0.58 C ATOM 2495 C ALA B 54 -16.096 10.805 -2.541 1.00 0.48 C ATOM 2496 O ALA B 54 -15.094 10.309 -3.046 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.914 12.925 -1.243 1.00 0.64 C ATOM 0 H ALA B 54 -18.219 13.051 -2.107 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.691 12.733 -3.359 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.873 12.681 -1.029 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -16.030 14.008 -1.293 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.550 12.528 -0.451 1.00 0.64 H new ATOM 2503 N PHE B 55 -17.041 10.085 -1.946 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.974 8.628 -1.900 1.00 0.42 C ATOM 2505 C PHE B 55 -17.208 8.050 -3.283 1.00 0.44 C ATOM 2506 O PHE B 55 -16.583 7.071 -3.668 1.00 0.45 O ATOM 2507 CB PHE B 55 -18.009 8.064 -0.935 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.791 8.477 0.494 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.751 7.943 1.236 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -18.635 9.395 1.097 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -16.560 8.318 2.554 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -18.446 9.775 2.411 1.00 2.69 C ATOM 2513 CZ PHE B 55 -17.408 9.236 3.140 1.00 2.95 C ATOM 0 H PHE B 55 -17.861 10.485 -1.490 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.980 8.349 -1.550 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -19.001 8.388 -1.250 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.994 6.976 -0.996 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.082 7.227 0.782 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -19.452 9.819 0.532 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -15.747 7.892 3.124 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -19.111 10.494 2.867 1.00 2.69 H new ATOM 0 HZ PHE B 55 -17.258 9.531 4.168 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.137 8.654 -4.005 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.372 8.332 -5.406 1.00 0.54 C ATOM 2525 C GLN B 56 -17.063 8.453 -6.180 1.00 0.53 C ATOM 2526 O GLN B 56 -16.599 7.493 -6.792 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.428 9.301 -5.955 1.00 0.62 C ATOM 2528 CG GLN B 56 -19.985 8.971 -7.334 1.00 0.76 C ATOM 2529 CD GLN B 56 -18.998 9.202 -8.462 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -18.341 8.142 -8.892 1.00 1.69 O flip ATOM 2531 NE2 GLN B 56 -18.859 10.318 -8.965 1.00 0.87 N flip ATOM 0 H GLN B 56 -18.750 9.382 -3.638 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.735 7.310 -5.512 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.258 9.340 -5.250 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.993 10.300 -5.990 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.302 7.928 -7.348 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -20.874 9.576 -7.511 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -19.387 11.111 -8.601 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -18.216 10.449 -9.746 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.475 9.639 -6.129 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.221 9.918 -6.814 1.00 0.51 C ATOM 2542 C LYS B 57 -14.117 8.968 -6.364 1.00 0.47 C ATOM 2543 O LYS B 57 -13.383 8.438 -7.190 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.792 11.368 -6.575 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.849 12.237 -7.823 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.255 12.334 -8.401 1.00 1.00 C ATOM 2547 CE LYS B 57 -17.165 13.208 -7.551 1.00 0.86 C ATOM 2548 NZ LYS B 57 -18.490 13.406 -8.196 1.00 1.60 N ATOM 0 H LYS B 57 -16.852 10.434 -5.613 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.387 9.765 -7.880 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.432 11.805 -5.809 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.775 11.377 -6.183 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.488 13.237 -7.582 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.177 11.829 -8.577 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.204 12.740 -9.411 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.683 11.335 -8.480 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.301 12.749 -6.572 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.691 14.176 -7.386 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -18.729 14.418 -8.194 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -18.454 13.061 -9.176 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -19.215 12.878 -7.669 1.00 1.60 H new ATOM 2562 N LEU B 58 -14.007 8.754 -5.057 1.00 0.45 N ATOM 2563 CA LEU B 58 -13.003 7.853 -4.513 1.00 0.43 C ATOM 2564 C LEU B 58 -13.241 6.427 -4.990 1.00 0.42 C ATOM 2565 O LEU B 58 -12.297 5.688 -5.250 1.00 0.41 O ATOM 2566 CB LEU B 58 -13.021 7.892 -2.990 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.851 7.180 -2.319 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.539 7.825 -2.731 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -12.015 7.210 -0.812 1.00 0.40 C ATOM 0 H LEU B 58 -14.603 9.194 -4.356 1.00 0.45 H new ATOM 0 HA LEU B 58 -12.027 8.185 -4.868 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.028 8.933 -2.667 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.951 7.443 -2.640 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.838 6.139 -2.642 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.711 7.308 -2.246 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.424 7.758 -3.813 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.539 8.873 -2.431 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.174 6.699 -0.344 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -12.047 8.244 -0.470 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.943 6.708 -0.537 1.00 0.40 H new ATOM 2581 N MET B 59 -14.508 6.050 -5.096 1.00 0.45 N ATOM 2582 CA MET B 59 -14.885 4.747 -5.626 1.00 0.48 C ATOM 2583 C MET B 59 -14.249 4.553 -6.980 1.00 0.48 C ATOM 2584 O MET B 59 -13.414 3.684 -7.159 1.00 0.48 O ATOM 2585 CB MET B 59 -16.411 4.645 -5.739 1.00 0.54 C ATOM 2586 CG MET B 59 -16.911 3.437 -6.535 1.00 0.57 C ATOM 2587 SD MET B 59 -16.891 3.659 -8.328 1.00 1.64 S ATOM 2588 CE MET B 59 -17.956 5.083 -8.505 1.00 2.39 C ATOM 0 H MET B 59 -15.298 6.633 -4.819 1.00 0.45 H new ATOM 0 HA MET B 59 -14.535 3.968 -4.949 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.835 4.603 -4.736 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.789 5.554 -6.207 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.297 2.572 -6.282 1.00 0.57 H new ATOM 0 HG3 MET B 59 -17.930 3.208 -6.222 1.00 0.57 H new ATOM 0 HE1 MET B 59 -18.609 4.944 -9.366 1.00 2.39 H new ATOM 0 HE2 MET B 59 -18.561 5.199 -7.606 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.348 5.976 -8.651 1.00 2.39 H new ATOM 2598 N SER B 60 -14.611 5.420 -7.902 1.00 0.49 N ATOM 2599 CA SER B 60 -14.119 5.356 -9.269 1.00 0.52 C ATOM 2600 C SER B 60 -12.613 5.557 -9.308 1.00 0.51 C ATOM 2601 O SER B 60 -11.928 5.106 -10.223 1.00 0.55 O ATOM 2602 CB SER B 60 -14.831 6.410 -10.119 1.00 0.55 C ATOM 2603 OG SER B 60 -14.952 7.633 -9.413 1.00 1.34 O ATOM 0 H SER B 60 -15.255 6.191 -7.728 1.00 0.49 H new ATOM 0 HA SER B 60 -14.333 4.369 -9.678 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.277 6.573 -11.043 1.00 0.55 H new ATOM 0 HB3 SER B 60 -15.820 6.049 -10.400 1.00 0.55 H new ATOM 0 HG SER B 60 -14.223 7.709 -8.763 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.105 6.222 -8.294 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.703 6.529 -8.210 1.00 0.50 C ATOM 2611 C ASN B 61 -9.899 5.257 -8.009 1.00 0.49 C ATOM 2612 O ASN B 61 -8.838 5.063 -8.603 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.490 7.478 -7.033 1.00 0.49 C ATOM 2614 CG ASN B 61 -9.252 8.323 -7.129 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -8.273 7.973 -7.786 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -9.286 9.446 -6.438 1.00 0.57 N ATOM 0 H ASN B 61 -12.656 6.563 -7.507 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.368 6.999 -9.134 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -11.357 8.134 -6.950 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -10.445 6.893 -6.115 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -8.477 10.067 -6.434 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.122 9.694 -5.908 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.431 4.391 -7.174 1.00 0.44 N ATOM 2624 CA LEU B 62 -9.781 3.142 -6.849 1.00 0.43 C ATOM 2625 C LEU B 62 -10.307 2.051 -7.763 1.00 0.48 C ATOM 2626 O LEU B 62 -9.560 1.445 -8.518 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.060 2.799 -5.387 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.058 4.009 -4.450 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.425 3.605 -3.031 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.712 4.714 -4.493 1.00 0.35 C ATOM 0 H LEU B 62 -11.324 4.533 -6.703 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.704 3.229 -6.992 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.028 2.303 -5.320 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.311 2.085 -5.043 1.00 0.38 H new ATOM 0 HG LEU B 62 -10.818 4.710 -4.796 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.415 4.485 -2.388 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.421 3.162 -3.025 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.702 2.878 -2.661 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.729 5.572 -3.821 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -7.929 4.023 -4.180 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.511 5.053 -5.509 1.00 0.35 H new ATOM 2642 N ASP B 63 -11.618 1.877 -7.715 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.341 0.866 -8.465 1.00 0.53 C ATOM 2644 C ASP B 63 -12.041 0.960 -9.953 1.00 0.57 C ATOM 2645 O ASP B 63 -12.689 1.696 -10.704 1.00 0.62 O ATOM 2646 CB ASP B 63 -13.835 1.043 -8.220 1.00 0.56 C ATOM 2647 CG ASP B 63 -14.673 -0.011 -8.905 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -14.096 -0.903 -9.549 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -15.916 0.055 -8.807 1.00 1.24 O ATOM 0 H ASP B 63 -12.226 2.454 -7.134 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.020 -0.119 -8.126 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.028 1.013 -7.148 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.141 2.028 -8.571 1.00 0.56 H new ATOM 2654 N SER B 64 -11.046 0.209 -10.355 1.00 0.58 N ATOM 2655 CA SER B 64 -10.632 0.139 -11.743 1.00 0.64 C ATOM 2656 C SER B 64 -11.684 -0.566 -12.602 1.00 0.65 C ATOM 2657 O SER B 64 -11.748 -0.348 -13.811 1.00 0.75 O ATOM 2658 CB SER B 64 -9.287 -0.588 -11.847 1.00 0.72 C ATOM 2659 OG SER B 64 -8.739 -0.490 -13.152 1.00 1.38 O ATOM 0 H SER B 64 -10.494 -0.376 -9.728 1.00 0.58 H new ATOM 0 HA SER B 64 -10.523 1.156 -12.119 1.00 0.64 H new ATOM 0 HB2 SER B 64 -8.588 -0.165 -11.126 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.419 -1.638 -11.585 1.00 0.72 H new ATOM 0 HG SER B 64 -7.881 -0.963 -13.183 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.527 -1.390 -11.982 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.500 -2.166 -12.743 1.00 0.72 C ATOM 2667 C ASN B 65 -14.823 -1.410 -12.870 1.00 0.69 C ATOM 2668 O ASN B 65 -15.666 -1.727 -13.711 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.713 -3.559 -12.129 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.649 -3.575 -10.938 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -14.219 -3.629 -9.788 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -15.939 -3.549 -11.206 1.00 1.16 N ATOM 0 H ASN B 65 -12.556 -1.535 -10.973 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.097 -2.310 -13.746 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.107 -4.226 -12.896 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -12.747 -3.961 -11.823 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -16.618 -3.574 -10.446 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -16.258 -3.504 -12.174 1.00 1.16 H new ATOM 2679 N ARG B 66 -14.976 -0.411 -12.000 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.084 0.533 -12.023 1.00 0.60 C ATOM 2681 C ARG B 66 -17.438 -0.129 -11.816 1.00 0.60 C ATOM 2682 O ARG B 66 -18.352 0.027 -12.626 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.077 1.320 -13.317 1.00 0.67 C ATOM 2684 CG ARG B 66 -14.916 2.287 -13.432 1.00 0.70 C ATOM 2685 CD ARG B 66 -14.981 3.392 -12.385 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.271 4.584 -12.845 1.00 0.78 N ATOM 2687 CZ ARG B 66 -12.946 4.659 -12.987 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -12.170 3.649 -12.612 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -12.394 5.756 -13.483 1.00 1.15 N ATOM 0 H ARG B 66 -14.315 -0.235 -11.243 1.00 0.60 H new ATOM 0 HA ARG B 66 -15.935 1.209 -11.181 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.044 0.624 -14.156 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.011 1.875 -13.400 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -13.979 1.741 -13.324 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -14.913 2.732 -14.427 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -16.021 3.641 -12.176 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.544 3.040 -11.451 1.00 0.70 H new ATOM 0 HE ARG B 66 -14.823 5.411 -13.072 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -12.586 2.808 -12.212 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -11.158 3.714 -12.724 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.981 6.544 -13.757 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -11.381 5.813 -13.591 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.573 -0.831 -10.711 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.844 -1.444 -10.351 1.00 0.61 C ATOM 2705 C ASP B 67 -19.319 -0.878 -9.021 1.00 0.56 C ATOM 2706 O ASP B 67 -20.321 -1.319 -8.457 1.00 0.57 O ATOM 2707 CB ASP B 67 -18.717 -2.964 -10.280 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.060 -3.658 -10.291 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.813 -3.477 -11.272 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.360 -4.401 -9.336 1.00 1.63 O ATOM 0 H ASP B 67 -16.820 -0.994 -10.043 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.580 -1.212 -11.121 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.123 -3.316 -11.124 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.177 -3.238 -9.374 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.557 0.104 -8.536 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.890 0.872 -7.338 1.00 0.51 C ATOM 2717 C ASN B 68 -18.574 0.097 -6.081 1.00 0.46 C ATOM 2718 O ASN B 68 -19.161 0.336 -5.021 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.350 1.328 -7.343 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.579 2.496 -8.276 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -19.706 2.641 -9.257 1.00 1.08 O flip ATOM 2722 ND2 ASN B 68 -21.510 3.282 -8.097 1.00 0.66 N flip ATOM 0 H ASN B 68 -17.680 0.391 -8.971 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.266 1.765 -7.349 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -20.988 0.496 -7.641 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.645 1.609 -6.332 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -22.162 3.133 -7.327 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -21.629 4.082 -8.719 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.636 -0.826 -6.205 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.155 -1.581 -5.067 1.00 0.42 C ATOM 2731 C GLU B 69 -15.653 -1.784 -5.185 1.00 0.40 C ATOM 2732 O GLU B 69 -15.166 -2.425 -6.117 1.00 0.44 O ATOM 2733 CB GLU B 69 -17.855 -2.934 -4.960 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.363 -2.858 -5.082 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.028 -4.200 -4.909 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -19.891 -5.056 -5.810 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -20.716 -4.396 -3.887 1.00 1.31 O ATOM 0 H GLU B 69 -17.191 -1.070 -7.090 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.380 -1.014 -4.164 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.470 -3.593 -5.738 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.600 -3.389 -4.003 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -19.750 -2.166 -4.334 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -19.625 -2.450 -6.059 1.00 0.50 H new ATOM 2744 N VAL B 70 -14.933 -1.233 -4.231 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.473 -1.308 -4.215 1.00 0.36 C ATOM 2746 C VAL B 70 -13.005 -2.645 -3.673 1.00 0.35 C ATOM 2747 O VAL B 70 -13.285 -2.994 -2.529 1.00 0.36 O ATOM 2748 CB VAL B 70 -12.868 -0.180 -3.362 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.382 -0.400 -3.144 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.107 1.159 -4.026 1.00 0.36 C ATOM 0 H VAL B 70 -15.333 -0.721 -3.445 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.134 -1.197 -5.245 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.358 -0.187 -2.388 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -10.979 0.412 -2.538 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.226 -1.348 -2.630 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -10.872 -0.421 -4.107 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.675 1.951 -3.414 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.640 1.165 -5.011 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.179 1.326 -4.132 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.292 -3.386 -4.499 1.00 0.37 N ATOM 2761 CA ASP B 71 -11.744 -4.664 -4.076 1.00 0.39 C ATOM 2762 C ASP B 71 -10.536 -4.424 -3.189 1.00 0.37 C ATOM 2763 O ASP B 71 -10.023 -3.306 -3.145 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.358 -5.530 -5.281 1.00 0.45 C ATOM 2765 CG ASP B 71 -9.861 -5.560 -5.538 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.334 -4.604 -6.129 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -9.203 -6.545 -5.122 1.00 1.35 O ATOM 0 H ASP B 71 -12.078 -3.129 -5.463 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.508 -5.202 -3.515 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -11.713 -6.548 -5.118 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -11.866 -5.153 -6.169 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.074 -5.441 -2.477 1.00 0.41 N ATOM 2773 CA PHE B 72 -8.962 -5.233 -1.567 1.00 0.44 C ATOM 2774 C PHE B 72 -7.734 -4.744 -2.306 1.00 0.40 C ATOM 2775 O PHE B 72 -7.008 -3.898 -1.805 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.597 -6.480 -0.781 1.00 0.54 C ATOM 2777 CG PHE B 72 -7.476 -6.196 0.171 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -7.706 -5.463 1.312 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -6.193 -6.623 -0.094 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -6.685 -5.165 2.181 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -5.162 -6.327 0.770 1.00 2.18 C ATOM 2782 CZ PHE B 72 -5.409 -5.598 1.908 1.00 2.15 C ATOM 0 H PHE B 72 -10.440 -6.392 -2.510 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.299 -4.474 -0.861 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -9.467 -6.836 -0.230 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -8.306 -7.276 -1.467 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -8.706 -5.116 1.528 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -5.994 -7.195 -0.988 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -6.884 -4.593 3.075 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -4.160 -6.668 0.553 1.00 2.18 H new ATOM 0 HZ PHE B 72 -4.602 -5.365 2.587 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.497 -5.278 -3.489 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.359 -4.856 -4.286 1.00 0.37 C ATOM 2794 C GLN B 73 -6.429 -3.358 -4.570 1.00 0.36 C ATOM 2795 O GLN B 73 -5.458 -2.642 -4.346 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.258 -5.664 -5.584 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.135 -5.199 -6.493 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.648 -4.502 -7.730 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.044 -3.258 -7.565 1.00 0.62 O flip ATOM 2800 NE2 GLN B 73 -5.748 -5.099 -8.799 1.00 0.41 N flip ATOM 0 H GLN B 73 -8.074 -6.001 -3.919 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.453 -5.050 -3.712 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.106 -6.715 -5.339 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.204 -5.595 -6.122 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.482 -4.522 -5.942 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.530 -6.057 -6.787 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -5.426 -6.064 -8.876 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.153 -4.630 -9.609 1.00 0.41 H new ATOM 2809 N GLU B 74 -7.573 -2.881 -5.050 1.00 0.37 N ATOM 2810 CA GLU B 74 -7.757 -1.453 -5.294 1.00 0.39 C ATOM 2811 C GLU B 74 -7.706 -0.653 -3.998 1.00 0.38 C ATOM 2812 O GLU B 74 -7.307 0.509 -3.993 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.054 -1.181 -6.050 1.00 0.44 C ATOM 2814 CG GLU B 74 -8.962 -1.534 -7.526 1.00 0.59 C ATOM 2815 CD GLU B 74 -7.764 -0.891 -8.211 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -7.273 0.153 -7.724 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -7.302 -1.433 -9.238 1.00 2.18 O ATOM 0 H GLU B 74 -8.383 -3.458 -5.277 1.00 0.37 H new ATOM 0 HA GLU B 74 -6.928 -1.123 -5.920 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -9.862 -1.754 -5.594 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.314 -0.127 -5.949 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -8.898 -2.617 -7.633 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.876 -1.217 -8.029 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.086 -1.288 -2.902 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.000 -0.669 -1.588 1.00 0.36 C ATOM 2826 C TYR B 75 -6.531 -0.580 -1.142 1.00 0.34 C ATOM 2827 O TYR B 75 -6.121 0.366 -0.470 1.00 0.34 O ATOM 2828 CB TYR B 75 -8.828 -1.481 -0.585 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.605 -1.093 0.858 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -8.951 0.168 1.325 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -8.037 -1.990 1.750 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -8.736 0.521 2.643 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -7.818 -1.645 3.066 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.169 -0.391 3.510 1.00 1.84 C ATOM 2835 OH TYR B 75 -7.940 -0.046 4.818 1.00 2.33 O ATOM 0 H TYR B 75 -8.459 -2.237 -2.896 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.402 0.343 -1.634 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -9.885 -1.362 -0.823 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.591 -2.538 -0.706 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.395 0.883 0.648 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -7.761 -2.976 1.407 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.010 1.505 2.993 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.373 -2.356 3.746 1.00 2.09 H new ATOM 0 HH TYR B 75 -7.537 -0.804 5.291 1.00 2.33 H new ATOM 2845 N SER B 76 -5.747 -1.571 -1.545 1.00 0.35 N ATOM 2846 CA SER B 76 -4.322 -1.617 -1.245 1.00 0.36 C ATOM 2847 C SER B 76 -3.581 -0.595 -2.086 1.00 0.36 C ATOM 2848 O SER B 76 -2.713 0.132 -1.595 1.00 0.41 O ATOM 2849 CB SER B 76 -3.778 -3.010 -1.543 1.00 0.41 C ATOM 2850 OG SER B 76 -4.493 -3.990 -0.828 1.00 1.21 O ATOM 0 H SER B 76 -6.081 -2.366 -2.089 1.00 0.35 H new ATOM 0 HA SER B 76 -4.175 -1.387 -0.190 1.00 0.36 H new ATOM 0 HB2 SER B 76 -3.847 -3.211 -2.612 1.00 0.41 H new ATOM 0 HB3 SER B 76 -2.722 -3.057 -1.277 1.00 0.41 H new ATOM 0 HG SER B 76 -5.332 -4.189 -1.295 1.00 1.21 H new ATOM 2856 N VAL B 77 -3.943 -0.546 -3.359 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.375 0.410 -4.286 1.00 0.36 C ATOM 2858 C VAL B 77 -3.755 1.800 -3.827 1.00 0.33 C ATOM 2859 O VAL B 77 -3.010 2.762 -3.987 1.00 0.32 O ATOM 2860 CB VAL B 77 -3.878 0.167 -5.729 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -3.439 1.284 -6.662 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -3.388 -1.177 -6.243 1.00 0.43 C ATOM 0 H VAL B 77 -4.637 -1.168 -3.774 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.291 0.296 -4.299 1.00 0.36 H new ATOM 0 HB VAL B 77 -4.968 0.158 -5.706 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -3.808 1.084 -7.668 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -3.843 2.233 -6.309 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -2.350 1.337 -6.679 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -3.751 -1.332 -7.259 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.298 -1.192 -6.240 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -3.763 -1.972 -5.598 1.00 0.43 H new ATOM 2872 N PHE B 78 -4.912 1.861 -3.201 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.410 3.089 -2.613 1.00 0.29 C ATOM 2874 C PHE B 78 -4.488 3.565 -1.496 1.00 0.27 C ATOM 2875 O PHE B 78 -3.905 4.642 -1.584 1.00 0.28 O ATOM 2876 CB PHE B 78 -6.823 2.873 -2.077 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.349 4.020 -1.263 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.199 5.327 -1.696 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -7.994 3.785 -0.064 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.682 6.376 -0.945 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.479 4.830 0.692 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.323 6.129 0.249 1.00 0.37 C ATOM 0 H PHE B 78 -5.534 1.061 -3.085 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.436 3.858 -3.385 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.496 2.698 -2.916 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -6.835 1.971 -1.465 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -6.698 5.526 -2.632 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.120 2.771 0.285 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.558 7.391 -1.292 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -8.980 4.634 1.629 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.703 6.950 0.838 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.343 2.751 -0.459 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.544 3.130 0.701 1.00 0.27 C ATOM 2894 C LEU B 79 -2.108 3.443 0.306 1.00 0.31 C ATOM 2895 O LEU B 79 -1.501 4.382 0.823 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.564 2.027 1.758 1.00 0.29 C ATOM 2897 CG LEU B 79 -4.955 1.614 2.239 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -4.847 0.775 3.492 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.825 2.831 2.488 1.00 0.30 C ATOM 0 H LEU B 79 -4.767 1.825 -0.396 1.00 0.27 H new ATOM 0 HA LEU B 79 -3.989 4.032 1.123 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.061 1.149 1.354 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -2.983 2.359 2.618 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.425 1.017 1.457 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -5.844 0.487 3.824 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.263 -0.121 3.281 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.356 1.352 4.275 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.809 2.511 2.829 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.363 3.459 3.250 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -5.929 3.399 1.564 1.00 0.30 H new ATOM 2911 N SER B 80 -1.570 2.667 -0.621 1.00 0.36 N ATOM 2912 CA SER B 80 -0.220 2.901 -1.096 1.00 0.47 C ATOM 2913 C SER B 80 -0.142 4.190 -1.895 1.00 0.37 C ATOM 2914 O SER B 80 0.798 4.964 -1.728 1.00 0.38 O ATOM 2915 CB SER B 80 0.274 1.733 -1.936 1.00 0.66 C ATOM 2916 OG SER B 80 -0.679 1.363 -2.917 1.00 0.84 O ATOM 0 H SER B 80 -2.045 1.876 -1.056 1.00 0.36 H new ATOM 0 HA SER B 80 0.425 2.994 -0.223 1.00 0.47 H new ATOM 0 HB2 SER B 80 1.212 2.003 -2.421 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.483 0.881 -1.290 1.00 0.66 H new ATOM 0 HG SER B 80 -1.379 0.816 -2.503 1.00 0.84 H new ATOM 2922 N SER B 81 -1.130 4.429 -2.758 1.00 0.33 N ATOM 2923 CA SER B 81 -1.152 5.654 -3.534 1.00 0.30 C ATOM 2924 C SER B 81 -1.247 6.850 -2.604 1.00 0.24 C ATOM 2925 O SER B 81 -0.656 7.877 -2.873 1.00 0.26 O ATOM 2926 CB SER B 81 -2.281 5.666 -4.579 1.00 0.37 C ATOM 2927 OG SER B 81 -3.565 5.618 -3.982 1.00 1.22 O ATOM 0 H SER B 81 -1.911 3.797 -2.931 1.00 0.33 H new ATOM 0 HA SER B 81 -0.219 5.713 -4.094 1.00 0.30 H new ATOM 0 HB2 SER B 81 -2.199 6.566 -5.189 1.00 0.37 H new ATOM 0 HB3 SER B 81 -2.162 4.815 -5.249 1.00 0.37 H new ATOM 0 HG SER B 81 -3.487 5.281 -3.065 1.00 1.22 H new ATOM 2933 N ILE B 82 -1.963 6.703 -1.490 1.00 0.23 N ATOM 2934 CA ILE B 82 -1.985 7.742 -0.466 1.00 0.23 C ATOM 2935 C ILE B 82 -0.573 8.031 0.006 1.00 0.27 C ATOM 2936 O ILE B 82 -0.070 9.150 -0.113 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.783 7.335 0.785 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.222 6.960 0.446 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.743 8.468 1.801 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.012 6.514 1.656 1.00 0.23 C ATOM 0 H ILE B 82 -2.530 5.882 -1.276 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.456 8.608 -0.931 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.319 6.447 1.213 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.718 7.817 -0.010 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.219 6.161 -0.295 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.308 8.181 2.688 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.709 8.671 2.079 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.184 9.364 1.364 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.028 6.260 1.354 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.536 5.639 2.099 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.042 7.321 2.388 1.00 0.23 H new ATOM 2952 N ALA B 83 0.050 6.992 0.543 1.00 0.30 N ATOM 2953 CA ALA B 83 1.358 7.099 1.156 1.00 0.36 C ATOM 2954 C ALA B 83 2.390 7.650 0.181 1.00 0.37 C ATOM 2955 O ALA B 83 3.111 8.590 0.503 1.00 0.42 O ATOM 2956 CB ALA B 83 1.780 5.742 1.698 1.00 0.40 C ATOM 0 H ALA B 83 -0.342 6.050 0.564 1.00 0.30 H new ATOM 0 HA ALA B 83 1.297 7.806 1.983 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.764 5.824 2.159 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.058 5.407 2.442 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.821 5.021 0.882 1.00 0.40 H new ATOM 2962 N MET B 84 2.448 7.096 -1.023 1.00 0.37 N ATOM 2963 CA MET B 84 3.454 7.530 -1.976 1.00 0.43 C ATOM 2964 C MET B 84 3.091 8.864 -2.619 1.00 0.34 C ATOM 2965 O MET B 84 3.983 9.628 -2.969 1.00 0.37 O ATOM 2966 CB MET B 84 3.779 6.439 -3.013 1.00 0.64 C ATOM 2967 CG MET B 84 2.638 5.977 -3.909 1.00 0.44 C ATOM 2968 SD MET B 84 2.317 7.117 -5.274 1.00 1.00 S ATOM 2969 CE MET B 84 1.286 6.111 -6.342 1.00 1.26 C ATOM 0 H MET B 84 1.824 6.361 -1.356 1.00 0.37 H new ATOM 0 HA MET B 84 4.373 7.699 -1.415 1.00 0.43 H new ATOM 0 HB2 MET B 84 4.583 6.806 -3.650 1.00 0.64 H new ATOM 0 HB3 MET B 84 4.165 5.570 -2.481 1.00 0.64 H new ATOM 0 HG2 MET B 84 2.874 4.992 -4.312 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.733 5.869 -3.311 1.00 0.44 H new ATOM 0 HE1 MET B 84 1.665 6.157 -7.363 1.00 1.26 H new ATOM 0 HE2 MET B 84 1.302 5.078 -5.995 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.263 6.486 -6.318 1.00 1.26 H new ATOM 2979 N MET B 85 1.802 9.181 -2.721 1.00 0.33 N ATOM 2980 CA MET B 85 1.388 10.478 -3.258 1.00 0.35 C ATOM 2981 C MET B 85 1.729 11.582 -2.261 1.00 0.35 C ATOM 2982 O MET B 85 2.223 12.646 -2.642 1.00 0.42 O ATOM 2983 CB MET B 85 -0.110 10.488 -3.619 1.00 0.39 C ATOM 2984 CG MET B 85 -0.997 11.206 -2.623 1.00 1.36 C ATOM 2985 SD MET B 85 -1.191 12.963 -2.985 1.00 2.66 S ATOM 2986 CE MET B 85 -2.038 12.894 -4.564 1.00 3.35 C ATOM 0 H MET B 85 1.035 8.568 -2.444 1.00 0.33 H new ATOM 0 HA MET B 85 1.936 10.662 -4.182 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.231 10.956 -4.596 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.454 9.458 -3.714 1.00 0.39 H new ATOM 0 HG2 MET B 85 -1.979 10.733 -2.613 1.00 1.36 H new ATOM 0 HG3 MET B 85 -0.578 11.091 -1.623 1.00 1.36 H new ATOM 0 HE1 MET B 85 -2.665 13.778 -4.679 1.00 3.35 H new ATOM 0 HE2 MET B 85 -1.304 12.862 -5.369 1.00 3.35 H new ATOM 0 HE3 MET B 85 -2.660 12.000 -4.604 1.00 3.35 H new ATOM 2996 N SER B 86 1.499 11.315 -0.974 1.00 0.33 N ATOM 2997 CA SER B 86 1.844 12.271 0.063 1.00 0.39 C ATOM 2998 C SER B 86 3.358 12.353 0.221 1.00 0.43 C ATOM 2999 O SER B 86 3.901 13.383 0.622 1.00 0.57 O ATOM 3000 CB SER B 86 1.166 11.898 1.386 1.00 0.43 C ATOM 3001 OG SER B 86 1.373 10.533 1.710 1.00 1.25 O ATOM 0 H SER B 86 1.079 10.450 -0.633 1.00 0.33 H new ATOM 0 HA SER B 86 1.480 13.256 -0.230 1.00 0.39 H new ATOM 0 HB2 SER B 86 1.557 12.526 2.186 1.00 0.43 H new ATOM 0 HB3 SER B 86 0.097 12.099 1.317 1.00 0.43 H new ATOM 0 HG SER B 86 0.765 9.975 1.181 1.00 1.25 H new ATOM 3007 N ASN B 87 4.036 11.267 -0.125 1.00 0.40 N ATOM 3008 CA ASN B 87 5.486 11.210 -0.033 1.00 0.51 C ATOM 3009 C ASN B 87 6.144 11.982 -1.166 1.00 0.44 C ATOM 3010 O ASN B 87 7.081 12.731 -0.940 1.00 0.53 O ATOM 3011 CB ASN B 87 5.983 9.781 -0.093 1.00 0.69 C ATOM 3012 CG ASN B 87 7.458 9.676 0.245 1.00 1.43 C ATOM 3013 OD1 ASN B 87 7.826 9.249 1.333 1.00 2.36 O ATOM 3014 ND2 ASN B 87 8.308 10.109 -0.672 1.00 1.49 N ATOM 0 H ASN B 87 3.602 10.412 -0.473 1.00 0.40 H new ATOM 0 HA ASN B 87 5.753 11.658 0.924 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.408 9.168 0.601 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.811 9.379 -1.091 1.00 0.69 H new ATOM 0 HD21 ASN B 87 9.311 10.095 -0.485 1.00 1.49 H new ATOM 0 HD22 ASN B 87 7.961 10.457 -1.566 1.00 1.49 H new ATOM 3021 N GLU B 88 5.703 11.749 -2.396 1.00 0.37 N ATOM 3022 CA GLU B 88 6.255 12.472 -3.536 1.00 0.42 C ATOM 3023 C GLU B 88 6.159 13.972 -3.302 1.00 0.51 C ATOM 3024 O GLU B 88 7.112 14.715 -3.532 1.00 0.66 O ATOM 3025 CB GLU B 88 5.528 12.111 -4.822 1.00 0.48 C ATOM 3026 CG GLU B 88 5.564 10.638 -5.166 1.00 0.51 C ATOM 3027 CD GLU B 88 4.908 10.357 -6.497 1.00 0.91 C ATOM 3028 OE1 GLU B 88 3.683 10.153 -6.533 1.00 1.49 O ATOM 3029 OE2 GLU B 88 5.625 10.353 -7.513 1.00 1.74 O ATOM 0 H GLU B 88 4.974 11.074 -2.629 1.00 0.37 H new ATOM 0 HA GLU B 88 7.301 12.184 -3.638 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.488 12.427 -4.739 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.968 12.675 -5.645 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.599 10.296 -5.191 1.00 0.51 H new ATOM 0 HG3 GLU B 88 5.059 10.070 -4.385 1.00 0.51 H new ATOM 3036 N PHE B 89 5.003 14.399 -2.827 1.00 0.50 N ATOM 3037 CA PHE B 89 4.790 15.791 -2.462 1.00 0.63 C ATOM 3038 C PHE B 89 5.580 16.152 -1.207 1.00 0.66 C ATOM 3039 O PHE B 89 5.857 17.324 -0.954 1.00 0.79 O ATOM 3040 CB PHE B 89 3.296 16.050 -2.256 1.00 0.73 C ATOM 3041 CG PHE B 89 2.948 17.490 -1.992 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.930 18.411 -3.027 1.00 2.16 C ATOM 3043 CD2 PHE B 89 2.632 17.921 -0.712 1.00 1.70 C ATOM 3044 CE1 PHE B 89 2.606 19.733 -2.792 1.00 2.79 C ATOM 3045 CE2 PHE B 89 2.308 19.243 -0.472 1.00 2.37 C ATOM 3046 CZ PHE B 89 2.295 20.150 -1.513 1.00 2.70 C ATOM 0 H PHE B 89 4.191 13.798 -2.684 1.00 0.50 H new ATOM 0 HA PHE B 89 5.149 16.424 -3.273 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.756 15.714 -3.141 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.946 15.445 -1.420 1.00 0.73 H new ATOM 0 HD1 PHE B 89 3.172 18.091 -4.030 1.00 2.16 H new ATOM 0 HD2 PHE B 89 2.639 17.216 0.106 1.00 1.70 H new ATOM 0 HE1 PHE B 89 2.596 20.440 -3.608 1.00 2.79 H new ATOM 0 HE2 PHE B 89 2.065 19.566 0.529 1.00 2.37 H new ATOM 0 HZ PHE B 89 2.042 21.183 -1.327 1.00 2.70 H new ATOM 3056 N PHE B 90 5.962 15.145 -0.434 1.00 0.60 N ATOM 3057 CA PHE B 90 6.803 15.362 0.730 1.00 0.68 C ATOM 3058 C PHE B 90 8.214 15.691 0.263 1.00 0.68 C ATOM 3059 O PHE B 90 8.945 16.438 0.916 1.00 0.79 O ATOM 3060 CB PHE B 90 6.807 14.118 1.621 1.00 0.70 C ATOM 3061 CG PHE B 90 7.504 14.301 2.941 1.00 0.85 C ATOM 3062 CD1 PHE B 90 6.827 14.828 4.028 1.00 1.53 C ATOM 3063 CD2 PHE B 90 8.833 13.941 3.097 1.00 1.46 C ATOM 3064 CE1 PHE B 90 7.460 14.992 5.245 1.00 1.64 C ATOM 3065 CE2 PHE B 90 9.473 14.104 4.311 1.00 1.59 C ATOM 3066 CZ PHE B 90 8.785 14.631 5.386 1.00 1.21 C ATOM 0 H PHE B 90 5.702 14.172 -0.593 1.00 0.60 H new ATOM 0 HA PHE B 90 6.412 16.194 1.316 1.00 0.68 H new ATOM 0 HB2 PHE B 90 5.776 13.816 1.807 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.286 13.301 1.081 1.00 0.70 H new ATOM 0 HD1 PHE B 90 5.791 15.114 3.923 1.00 1.53 H new ATOM 0 HD2 PHE B 90 9.375 13.528 2.259 1.00 1.46 H new ATOM 0 HE1 PHE B 90 6.919 15.402 6.085 1.00 1.64 H new ATOM 0 HE2 PHE B 90 10.509 13.820 4.419 1.00 1.59 H new ATOM 0 HZ PHE B 90 9.283 14.761 6.336 1.00 1.21 H new ATOM 3076 N GLU B 91 8.583 15.132 -0.888 1.00 0.61 N ATOM 3077 CA GLU B 91 9.867 15.426 -1.500 1.00 0.72 C ATOM 3078 C GLU B 91 9.812 16.789 -2.173 1.00 0.77 C ATOM 3079 O GLU B 91 10.839 17.411 -2.439 1.00 0.95 O ATOM 3080 CB GLU B 91 10.249 14.361 -2.530 1.00 0.82 C ATOM 3081 CG GLU B 91 9.913 12.934 -2.120 1.00 0.92 C ATOM 3082 CD GLU B 91 10.649 12.433 -0.885 1.00 1.57 C ATOM 3083 OE1 GLU B 91 10.985 13.241 0.008 1.00 2.25 O ATOM 3084 OE2 GLU B 91 10.872 11.204 -0.795 1.00 2.22 O ATOM 0 H GLU B 91 8.007 14.473 -1.412 1.00 0.61 H new ATOM 0 HA GLU B 91 10.624 15.429 -0.716 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.742 14.584 -3.469 1.00 0.82 H new ATOM 0 HB3 GLU B 91 11.320 14.427 -2.722 1.00 0.82 H new ATOM 0 HG2 GLU B 91 8.840 12.866 -1.938 1.00 0.92 H new ATOM 0 HG3 GLU B 91 10.138 12.269 -2.954 1.00 0.92 H new ATOM 3091 N GLY B 92 8.595 17.232 -2.457 1.00 0.71 N ATOM 3092 CA GLY B 92 8.390 18.507 -3.113 1.00 0.82 C ATOM 3093 C GLY B 92 8.170 18.333 -4.597 1.00 0.81 C ATOM 3094 O GLY B 92 7.638 19.216 -5.271 1.00 0.91 O ATOM 0 H GLY B 92 7.737 16.724 -2.242 1.00 0.71 H new ATOM 0 HA2 GLY B 92 7.529 19.011 -2.672 1.00 0.82 H new ATOM 0 HA3 GLY B 92 9.255 19.148 -2.944 1.00 0.82 H new ATOM 3098 N PHE B 93 8.567 17.173 -5.092 1.00 0.76 N ATOM 3099 CA PHE B 93 8.478 16.849 -6.503 1.00 0.78 C ATOM 3100 C PHE B 93 8.776 15.366 -6.684 1.00 0.69 C ATOM 3101 O PHE B 93 9.593 14.806 -5.947 1.00 0.82 O ATOM 3102 CB PHE B 93 9.483 17.702 -7.298 1.00 1.00 C ATOM 3103 CG PHE B 93 9.399 17.531 -8.789 1.00 1.67 C ATOM 3104 CD1 PHE B 93 8.405 18.163 -9.518 1.00 2.58 C ATOM 3105 CD2 PHE B 93 10.318 16.740 -9.459 1.00 2.41 C ATOM 3106 CE1 PHE B 93 8.328 18.007 -10.888 1.00 3.59 C ATOM 3107 CE2 PHE B 93 10.245 16.581 -10.829 1.00 3.46 C ATOM 3108 CZ PHE B 93 9.250 17.216 -11.544 1.00 3.90 C ATOM 0 H PHE B 93 8.962 16.426 -4.521 1.00 0.76 H new ATOM 0 HA PHE B 93 7.476 17.065 -6.875 1.00 0.78 H new ATOM 0 HB2 PHE B 93 9.322 18.752 -7.055 1.00 1.00 H new ATOM 0 HB3 PHE B 93 10.492 17.451 -6.972 1.00 1.00 H new ATOM 0 HD1 PHE B 93 7.683 18.784 -9.010 1.00 2.58 H new ATOM 0 HD2 PHE B 93 11.100 16.242 -8.904 1.00 2.41 H new ATOM 0 HE1 PHE B 93 7.547 18.503 -11.446 1.00 3.59 H new ATOM 0 HE2 PHE B 93 10.966 15.960 -11.340 1.00 3.46 H new ATOM 0 HZ PHE B 93 9.193 17.094 -12.616 1.00 3.90 H new ATOM 3118 N PRO B 94 8.100 14.691 -7.627 1.00 0.64 N ATOM 3119 CA PRO B 94 8.390 13.294 -7.951 1.00 0.61 C ATOM 3120 C PRO B 94 9.728 13.150 -8.672 1.00 0.71 C ATOM 3121 O PRO B 94 9.802 12.793 -9.850 1.00 0.90 O ATOM 3122 CB PRO B 94 7.248 12.898 -8.866 1.00 0.65 C ATOM 3123 CG PRO B 94 6.825 14.173 -9.506 1.00 0.84 C ATOM 3124 CD PRO B 94 6.987 15.221 -8.440 1.00 0.83 C ATOM 0 HA PRO B 94 8.468 12.670 -7.061 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.569 12.168 -9.609 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.430 12.444 -8.307 1.00 0.65 H new ATOM 0 HG2 PRO B 94 7.440 14.399 -10.377 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.792 14.117 -9.850 1.00 0.84 H new ATOM 0 HD2 PRO B 94 7.225 16.196 -8.864 1.00 0.83 H new ATOM 0 HD3 PRO B 94 6.078 15.343 -7.851 1.00 0.83 H new ATOM 3132 N ASP B 95 10.774 13.416 -7.927 1.00 0.71 N ATOM 3133 CA ASP B 95 12.134 13.474 -8.455 1.00 0.87 C ATOM 3134 C ASP B 95 12.773 12.100 -8.470 1.00 0.84 C ATOM 3135 O ASP B 95 13.728 11.849 -9.198 1.00 0.96 O ATOM 3136 CB ASP B 95 12.981 14.440 -7.619 1.00 1.12 C ATOM 3137 CG ASP B 95 14.433 14.487 -8.061 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.742 15.223 -9.022 1.00 2.40 O ATOM 3139 OD2 ASP B 95 15.272 13.791 -7.447 1.00 2.16 O ATOM 0 H ASP B 95 10.714 13.602 -6.926 1.00 0.71 H new ATOM 0 HA ASP B 95 12.085 13.836 -9.482 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.554 15.441 -7.685 1.00 1.12 H new ATOM 0 HB3 ASP B 95 12.935 14.142 -6.571 1.00 1.12 H new ATOM 3144 N LYS B 96 12.193 11.197 -7.708 1.00 0.81 N ATOM 3145 CA LYS B 96 12.736 9.859 -7.550 1.00 0.86 C ATOM 3146 C LYS B 96 12.144 8.959 -8.615 1.00 0.83 C ATOM 3147 O LYS B 96 12.470 7.780 -8.728 1.00 0.94 O ATOM 3148 CB LYS B 96 12.406 9.336 -6.149 1.00 0.97 C ATOM 3149 CG LYS B 96 11.023 9.751 -5.668 1.00 0.93 C ATOM 3150 CD LYS B 96 10.711 9.181 -4.294 1.00 0.65 C ATOM 3151 CE LYS B 96 9.333 9.601 -3.820 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.272 8.997 -4.664 1.00 1.85 N ATOM 0 H LYS B 96 11.336 11.366 -7.182 1.00 0.81 H new ATOM 0 HA LYS B 96 13.820 9.875 -7.664 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.473 8.248 -6.149 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.154 9.702 -5.445 1.00 0.97 H new ATOM 0 HG2 LYS B 96 10.961 10.839 -5.633 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.272 9.412 -6.382 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.770 8.093 -4.328 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.462 9.519 -3.579 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.194 9.298 -2.782 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.250 10.688 -3.848 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 7.377 8.977 -4.135 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.151 9.564 -5.528 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 8.544 8.027 -4.922 1.00 1.85 H new ATOM 3166 N GLN B 97 11.293 9.564 -9.416 1.00 0.85 N ATOM 3167 CA GLN B 97 10.510 8.850 -10.402 1.00 1.00 C ATOM 3168 C GLN B 97 11.108 8.990 -11.789 1.00 1.03 C ATOM 3169 O GLN B 97 11.742 9.993 -12.092 1.00 1.07 O ATOM 3170 CB GLN B 97 9.107 9.423 -10.426 1.00 1.19 C ATOM 3171 CG GLN B 97 8.514 9.655 -9.051 1.00 1.20 C ATOM 3172 CD GLN B 97 8.342 8.391 -8.240 1.00 1.05 C ATOM 3173 OE1 GLN B 97 9.083 7.424 -8.382 1.00 1.71 O ATOM 3174 NE2 GLN B 97 7.357 8.409 -7.373 1.00 0.97 N ATOM 0 H GLN B 97 11.124 10.570 -9.401 1.00 0.85 H new ATOM 0 HA GLN B 97 10.500 7.795 -10.129 1.00 1.00 H new ATOM 0 HB2 GLN B 97 9.120 10.368 -10.969 1.00 1.19 H new ATOM 0 HB3 GLN B 97 8.458 8.746 -10.981 1.00 1.19 H new ATOM 0 HG2 GLN B 97 9.155 10.344 -8.501 1.00 1.20 H new ATOM 0 HG3 GLN B 97 7.544 10.140 -9.161 1.00 1.20 H new ATOM 0 HE21 GLN B 97 6.766 9.236 -7.290 1.00 0.97 H new ATOM 0 HE22 GLN B 97 7.182 7.596 -6.782 1.00 0.97 H new ATOM 3183 N PRO B 98 10.891 7.998 -12.654 1.00 1.26 N ATOM 3184 CA PRO B 98 11.289 8.048 -14.043 1.00 1.46 C ATOM 3185 C PRO B 98 10.125 8.447 -14.951 1.00 1.51 C ATOM 3186 O PRO B 98 10.052 8.014 -16.101 1.00 1.97 O ATOM 3187 CB PRO B 98 11.698 6.603 -14.286 1.00 1.83 C ATOM 3188 CG PRO B 98 10.740 5.803 -13.462 1.00 1.83 C ATOM 3189 CD PRO B 98 10.252 6.712 -12.354 1.00 1.53 C ATOM 0 HA PRO B 98 12.067 8.782 -14.253 1.00 1.46 H new ATOM 0 HB2 PRO B 98 11.628 6.342 -15.342 1.00 1.83 H new ATOM 0 HB3 PRO B 98 12.729 6.425 -13.981 1.00 1.83 H new ATOM 0 HG2 PRO B 98 9.906 5.452 -14.070 1.00 1.83 H new ATOM 0 HG3 PRO B 98 11.228 4.919 -13.051 1.00 1.83 H new ATOM 0 HD2 PRO B 98 9.165 6.795 -12.353 1.00 1.53 H new ATOM 0 HD3 PRO B 98 10.544 6.339 -11.372 1.00 1.53 H new ATOM 3197 N ARG B 99 9.198 9.246 -14.407 1.00 1.37 N ATOM 3198 CA ARG B 99 8.055 9.747 -15.172 1.00 1.57 C ATOM 3199 C ARG B 99 8.525 10.402 -16.465 1.00 1.88 C ATOM 3200 O ARG B 99 8.347 9.851 -17.550 1.00 2.42 O ATOM 3201 CB ARG B 99 7.199 10.727 -14.342 1.00 2.01 C ATOM 3202 CG ARG B 99 7.802 11.172 -13.009 1.00 1.98 C ATOM 3203 CD ARG B 99 8.954 12.156 -13.170 1.00 2.58 C ATOM 3204 NE ARG B 99 8.542 13.381 -13.853 1.00 3.49 N ATOM 3205 CZ ARG B 99 9.314 14.462 -13.991 1.00 4.43 C ATOM 3206 NH1 ARG B 99 10.538 14.482 -13.479 1.00 4.69 N ATOM 3207 NH2 ARG B 99 8.854 15.524 -14.634 1.00 5.41 N ATOM 0 H ARG B 99 9.220 9.559 -13.436 1.00 1.37 H new ATOM 0 HA ARG B 99 7.424 8.894 -15.422 1.00 1.57 H new ATOM 0 HB2 ARG B 99 7.007 11.614 -14.946 1.00 2.01 H new ATOM 0 HB3 ARG B 99 6.234 10.260 -14.145 1.00 2.01 H new ATOM 0 HG2 ARG B 99 7.023 11.631 -12.400 1.00 1.98 H new ATOM 0 HG3 ARG B 99 8.155 10.295 -12.466 1.00 1.98 H new ATOM 0 HD2 ARG B 99 9.355 12.407 -12.188 1.00 2.58 H new ATOM 0 HD3 ARG B 99 9.759 11.682 -13.732 1.00 2.58 H new ATOM 0 HE ARG B 99 7.603 13.412 -14.250 1.00 3.49 H new ATOM 0 HH11 ARG B 99 10.894 13.669 -12.977 1.00 4.69 H new ATOM 0 HH12 ARG B 99 11.123 15.311 -13.588 1.00 4.69 H new ATOM 0 HH21 ARG B 99 7.911 15.516 -15.023 1.00 5.41 H new ATOM 0 HH22 ARG B 99 9.442 16.350 -14.740 1.00 5.41 H new ATOM 3221 N LYS B 100 9.111 11.579 -16.349 1.00 2.16 N ATOM 3222 CA LYS B 100 9.846 12.172 -17.448 1.00 2.96 C ATOM 3223 C LYS B 100 11.216 12.577 -16.956 1.00 3.79 C ATOM 3224 O LYS B 100 11.361 13.526 -16.187 1.00 4.60 O ATOM 3225 CB LYS B 100 9.131 13.383 -18.033 1.00 3.58 C ATOM 3226 CG LYS B 100 7.749 13.083 -18.596 1.00 4.14 C ATOM 3227 CD LYS B 100 7.816 12.112 -19.765 1.00 5.01 C ATOM 3228 CE LYS B 100 6.431 11.756 -20.282 1.00 5.79 C ATOM 3229 NZ LYS B 100 5.589 11.119 -19.236 1.00 6.34 N ATOM 0 H LYS B 100 9.091 12.145 -15.500 1.00 2.16 H new ATOM 0 HA LYS B 100 9.925 11.430 -18.242 1.00 2.96 H new ATOM 0 HB2 LYS B 100 9.038 14.144 -17.258 1.00 3.58 H new ATOM 0 HB3 LYS B 100 9.749 13.808 -18.824 1.00 3.58 H new ATOM 0 HG2 LYS B 100 7.119 12.664 -17.811 1.00 4.14 H new ATOM 0 HG3 LYS B 100 7.279 14.011 -18.921 1.00 4.14 H new ATOM 0 HD2 LYS B 100 8.403 12.553 -20.571 1.00 5.01 H new ATOM 0 HD3 LYS B 100 8.333 11.204 -19.454 1.00 5.01 H new ATOM 0 HE2 LYS B 100 5.937 12.658 -20.644 1.00 5.79 H new ATOM 0 HE3 LYS B 100 6.525 11.080 -21.132 1.00 5.79 H new ATOM 0 HZ1 LYS B 100 4.765 10.668 -19.681 1.00 6.34 H new ATOM 0 HZ2 LYS B 100 6.147 10.401 -18.731 1.00 6.34 H new ATOM 0 HZ3 LYS B 100 5.266 11.842 -18.562 1.00 6.34 H new ATOM 3243 N LYS B 101 12.211 11.848 -17.395 1.00 3.82 N ATOM 3244 CA LYS B 101 13.576 12.050 -16.942 1.00 4.81 C ATOM 3245 C LYS B 101 14.519 12.077 -18.133 1.00 5.78 C ATOM 3246 O LYS B 101 15.025 13.166 -18.468 1.00 6.45 O ATOM 3247 CB LYS B 101 14.007 10.956 -15.954 1.00 5.01 C ATOM 3248 CG LYS B 101 13.334 11.030 -14.586 1.00 4.42 C ATOM 3249 CD LYS B 101 13.451 12.423 -13.978 1.00 5.04 C ATOM 3250 CE LYS B 101 13.315 12.402 -12.462 1.00 4.78 C ATOM 3251 NZ LYS B 101 14.489 11.768 -11.805 1.00 5.64 N ATOM 3252 OXT LYS B 101 14.730 11.011 -18.749 1.00 6.09 O ATOM 0 H LYS B 101 12.104 11.096 -18.076 1.00 3.82 H new ATOM 0 HA LYS B 101 13.620 13.007 -16.422 1.00 4.81 H new ATOM 0 HB2 LYS B 101 13.795 9.982 -16.396 1.00 5.01 H new ATOM 0 HB3 LYS B 101 15.087 11.015 -15.816 1.00 5.01 H new ATOM 0 HG2 LYS B 101 12.282 10.762 -14.682 1.00 4.42 H new ATOM 0 HG3 LYS B 101 13.789 10.300 -13.916 1.00 4.42 H new ATOM 0 HD2 LYS B 101 14.414 12.856 -14.249 1.00 5.04 H new ATOM 0 HD3 LYS B 101 12.681 13.068 -14.401 1.00 5.04 H new ATOM 0 HE2 LYS B 101 13.201 13.422 -12.094 1.00 4.78 H new ATOM 0 HE3 LYS B 101 12.410 11.861 -12.187 1.00 4.78 H new ATOM 0 HZ1 LYS B 101 14.484 11.995 -10.790 1.00 5.64 H new ATOM 0 HZ2 LYS B 101 14.441 10.737 -11.929 1.00 5.64 H new ATOM 0 HZ3 LYS B 101 15.364 12.128 -12.236 1.00 5.64 H new TER 3266 LYS B 101