USER MOD reduce.3.24.130724 H: found=0, std=0, add=1110, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1105 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: A 87 GLN : amide:sc= 0.185 X(o=1.3,f=0.94) USER MOD Set 1.2: A 150 THR OG1 : rot 143:sc= 1.15 USER MOD Set 2.1: A 104 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 129 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.2) USER MOD Set 3.1: A 77 SER OG : rot 153:sc= -1.76! USER MOD Set 3.2: A 79 SER OG : rot 136:sc= 1.35 USER MOD Set 3.3: A 110 GLN : amide:sc= -3.92! C(o=-4.3!,f=-7.9!) USER MOD Set 4.1: A 23 THR OG1 : rot -155:sc= 1.75 USER MOD Set 4.2: A 57 MET CE :methyl -169:sc= -0.681 (180deg=-1.09) USER MOD Set 4.3: A 59 HIS : no HD1:sc= 0.444 K(o=3.3,f=-7.6!) USER MOD Set 4.4: A 61 LYS NZ :NH3+ -142:sc= 1.76 (180deg=0.0125) USER MOD Set 5.1: A 19 SER OG : rot 80:sc= -0.207 USER MOD Set 5.2: A 47 THR OG1 : rot 143:sc= -1.86! USER MOD Set 5.3: A 48 HIS : no HE2:sc= -0.962 K(o=-5,f=-6) USER MOD Set 5.4: A 50 THR OG1 : rot 180:sc= 0.301 USER MOD Set 5.5: A 75 THR OG1 : rot -86:sc= -2.24! USER MOD Set 6.1: A 13 HIS : no HD1:sc= -4.08! C(o=-9.6!,f=-12!) USER MOD Set 6.2: A 103 THR OG1 : rot 131:sc= -1.25 USER MOD Set 6.3: A 105 GLN : amide:sc= -4.32! C(o=-9.6!,f=-12!) USER MOD Single : A 1 SER N :NH3+ -148:sc= 0.0848 (180deg=0) USER MOD Single : A 1 SER OG : rot 42:sc= 0.153 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= -5! (180deg=-5.37!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 16 ASN : amide:sc= 0.654 K(o=0.65,f=-6.8!) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.13) USER MOD Single : A 32 SER OG : rot -160:sc= 0.0927 USER MOD Single : A 35 GLN : amide:sc= -2.63! K(o=-2.6!,f=-0.7) USER MOD Single : A 39 GLN : amide:sc= -0.0277 K(o=-0.028,f=-0.7) USER MOD Single : A 41 LYS NZ :NH3+ -109:sc= 2.11 (180deg=0.00139) USER MOD Single : A 51 TYR OH : rot 104:sc= -2.02! USER MOD Single : A 52 ASN : amide:sc= -0.449 K(o=-0.45,f=-11!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= 1.29 (180deg=0.644) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.16) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.08) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.259 USER MOD Single : A 91 TYR OH : rot 174:sc= -0.9 USER MOD Single : A 98 MET CE :methyl -166:sc= -0.759 (180deg=-1.09) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 154:sc= -0.281 (180deg=-1.05) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 118 SER OG : rot -38:sc= 0.257 USER MOD Single : A 123 THR OG1 : rot 120:sc= -0.164 USER MOD Single : A 124 TYR OH : rot 100:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -3.47! K(o=-3.5!,f=-0.97) USER MOD Single : A 127 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.1!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 134 LYS NZ :NH3+ -139:sc= 1.49! (180deg=0.48) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot -34:sc= -2.05! USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 23.456 4.814 13.279 1.00 3.53 N ATOM 2 CA SER A 1 22.693 4.277 12.136 1.00 2.82 C ATOM 3 C SER A 1 22.951 2.783 11.951 1.00 1.84 C ATOM 4 O SER A 1 24.061 2.364 11.624 1.00 1.68 O ATOM 5 CB SER A 1 23.067 5.042 10.865 1.00 3.37 C ATOM 6 OG SER A 1 24.474 5.184 10.746 1.00 4.10 O ATOM 0 H1 SER A 1 22.920 5.587 13.722 1.00 3.53 H new ATOM 0 H2 SER A 1 23.614 4.059 13.976 1.00 3.53 H new ATOM 0 H3 SER A 1 24.373 5.175 12.946 1.00 3.53 H new ATOM 0 HA SER A 1 21.630 4.407 12.338 1.00 2.82 H new ATOM 0 HB2 SER A 1 22.677 4.517 9.993 1.00 3.37 H new ATOM 0 HB3 SER A 1 22.600 6.027 10.879 1.00 3.37 H new ATOM 0 HG SER A 1 24.910 4.343 10.996 1.00 4.10 H new ATOM 14 N SER A 2 21.921 1.983 12.175 1.00 1.72 N ATOM 15 CA SER A 2 22.009 0.549 11.968 1.00 1.06 C ATOM 16 C SER A 2 21.246 0.159 10.709 1.00 0.92 C ATOM 17 O SER A 2 20.017 0.065 10.719 1.00 1.65 O ATOM 18 CB SER A 2 21.454 -0.198 13.181 1.00 1.60 C ATOM 19 OG SER A 2 22.159 0.154 14.360 1.00 2.37 O ATOM 0 H SER A 2 21.010 2.306 12.502 1.00 1.72 H new ATOM 0 HA SER A 2 23.056 0.273 11.844 1.00 1.06 H new ATOM 0 HB2 SER A 2 20.396 0.034 13.303 1.00 1.60 H new ATOM 0 HB3 SER A 2 21.528 -1.273 13.016 1.00 1.60 H new ATOM 0 HG SER A 2 21.785 -0.335 15.123 1.00 2.37 H new ATOM 25 N GLU A 3 21.979 -0.035 9.623 1.00 0.72 N ATOM 26 CA GLU A 3 21.389 -0.377 8.336 1.00 0.65 C ATOM 27 C GLU A 3 21.694 -1.832 7.977 1.00 0.56 C ATOM 28 O GLU A 3 22.729 -2.130 7.378 1.00 0.70 O ATOM 29 CB GLU A 3 21.932 0.565 7.258 1.00 1.06 C ATOM 30 CG GLU A 3 21.728 2.037 7.585 1.00 1.63 C ATOM 31 CD GLU A 3 22.369 2.964 6.574 1.00 1.81 C ATOM 32 OE1 GLU A 3 23.541 3.346 6.771 1.00 2.08 O ATOM 33 OE2 GLU A 3 21.701 3.329 5.586 1.00 2.19 O ATOM 0 H GLU A 3 22.996 0.040 9.608 1.00 0.72 H new ATOM 0 HA GLU A 3 20.307 -0.263 8.398 1.00 0.65 H new ATOM 0 HB2 GLU A 3 22.997 0.375 7.122 1.00 1.06 H new ATOM 0 HB3 GLU A 3 21.444 0.340 6.310 1.00 1.06 H new ATOM 0 HG2 GLU A 3 20.660 2.247 7.636 1.00 1.63 H new ATOM 0 HG3 GLU A 3 22.141 2.244 8.572 1.00 1.63 H new ATOM 40 N PRO A 4 20.802 -2.762 8.359 1.00 0.41 N ATOM 41 CA PRO A 4 20.991 -4.184 8.129 1.00 0.39 C ATOM 42 C PRO A 4 20.306 -4.681 6.857 1.00 0.39 C ATOM 43 O PRO A 4 19.861 -3.888 6.021 1.00 0.50 O ATOM 44 CB PRO A 4 20.335 -4.792 9.366 1.00 0.39 C ATOM 45 CG PRO A 4 19.237 -3.838 9.738 1.00 0.44 C ATOM 46 CD PRO A 4 19.537 -2.515 9.063 1.00 0.41 C ATOM 0 HA PRO A 4 22.039 -4.449 7.988 1.00 0.39 H new ATOM 0 HB2 PRO A 4 19.939 -5.785 9.154 1.00 0.39 H new ATOM 0 HB3 PRO A 4 21.053 -4.902 10.179 1.00 0.39 H new ATOM 0 HG2 PRO A 4 18.269 -4.222 9.416 1.00 0.44 H new ATOM 0 HG3 PRO A 4 19.187 -3.714 10.820 1.00 0.44 H new ATOM 0 HD2 PRO A 4 18.744 -2.229 8.372 1.00 0.41 H new ATOM 0 HD3 PRO A 4 19.634 -1.708 9.789 1.00 0.41 H new ATOM 54 N ALA A 5 20.232 -5.998 6.723 1.00 0.37 N ATOM 55 CA ALA A 5 19.595 -6.636 5.581 1.00 0.45 C ATOM 56 C ALA A 5 18.085 -6.442 5.623 1.00 0.22 C ATOM 57 O ALA A 5 17.525 -6.128 6.673 1.00 0.43 O ATOM 58 CB ALA A 5 19.939 -8.117 5.557 1.00 0.76 C ATOM 0 H ALA A 5 20.613 -6.654 7.405 1.00 0.37 H new ATOM 0 HA ALA A 5 19.969 -6.169 4.670 1.00 0.45 H new ATOM 0 HB1 ALA A 5 19.459 -8.588 4.699 1.00 0.76 H new ATOM 0 HB2 ALA A 5 21.019 -8.238 5.480 1.00 0.76 H new ATOM 0 HB3 ALA A 5 19.586 -8.588 6.475 1.00 0.76 H new ATOM 64 N LYS A 6 17.447 -6.579 4.461 1.00 0.31 N ATOM 65 CA LYS A 6 15.987 -6.497 4.348 1.00 0.15 C ATOM 66 C LYS A 6 15.298 -7.341 5.425 1.00 0.14 C ATOM 67 O LYS A 6 15.249 -8.567 5.321 1.00 0.20 O ATOM 68 CB LYS A 6 15.505 -6.989 2.969 1.00 0.17 C ATOM 69 CG LYS A 6 16.453 -6.715 1.802 1.00 0.17 C ATOM 70 CD LYS A 6 16.864 -5.255 1.699 1.00 0.24 C ATOM 71 CE LYS A 6 15.682 -4.358 1.385 1.00 0.23 C ATOM 72 NZ LYS A 6 14.923 -4.851 0.211 1.00 0.66 N ATOM 0 H LYS A 6 17.922 -6.749 3.575 1.00 0.31 H new ATOM 0 HA LYS A 6 15.723 -5.447 4.478 1.00 0.15 H new ATOM 0 HB2 LYS A 6 15.330 -8.063 3.027 1.00 0.17 H new ATOM 0 HB3 LYS A 6 14.545 -6.521 2.751 1.00 0.17 H new ATOM 0 HG2 LYS A 6 17.345 -7.331 1.914 1.00 0.17 H new ATOM 0 HG3 LYS A 6 15.972 -7.018 0.872 1.00 0.17 H new ATOM 0 HD2 LYS A 6 17.321 -4.939 2.637 1.00 0.24 H new ATOM 0 HD3 LYS A 6 17.621 -5.144 0.922 1.00 0.24 H new ATOM 0 HE2 LYS A 6 15.022 -4.307 2.251 1.00 0.23 H new ATOM 0 HE3 LYS A 6 16.034 -3.344 1.193 1.00 0.23 H new ATOM 0 HZ1 LYS A 6 14.152 -4.188 -0.008 1.00 0.66 H new ATOM 0 HZ2 LYS A 6 15.560 -4.924 -0.608 1.00 0.66 H new ATOM 0 HZ3 LYS A 6 14.524 -5.787 0.424 1.00 0.66 H new ATOM 86 N LEU A 7 14.775 -6.689 6.457 1.00 0.14 N ATOM 87 CA LEU A 7 14.039 -7.389 7.503 1.00 0.14 C ATOM 88 C LEU A 7 12.549 -7.337 7.203 1.00 0.13 C ATOM 89 O LEU A 7 12.002 -6.262 6.970 1.00 0.10 O ATOM 90 CB LEU A 7 14.322 -6.756 8.864 1.00 0.15 C ATOM 91 CG LEU A 7 15.794 -6.730 9.276 1.00 0.19 C ATOM 92 CD1 LEU A 7 15.983 -5.856 10.504 1.00 0.20 C ATOM 93 CD2 LEU A 7 16.300 -8.141 9.539 1.00 0.24 C ATOM 0 H LEU A 7 14.846 -5.680 6.592 1.00 0.14 H new ATOM 0 HA LEU A 7 14.363 -8.429 7.529 1.00 0.14 H new ATOM 0 HB2 LEU A 7 13.945 -5.733 8.857 1.00 0.15 H new ATOM 0 HB3 LEU A 7 13.758 -7.298 9.623 1.00 0.15 H new ATOM 0 HG LEU A 7 16.376 -6.306 8.458 1.00 0.19 H new ATOM 0 HD11 LEU A 7 17.036 -5.847 10.786 1.00 0.20 H new ATOM 0 HD12 LEU A 7 15.658 -4.840 10.281 1.00 0.20 H new ATOM 0 HD13 LEU A 7 15.390 -6.253 11.328 1.00 0.20 H new ATOM 0 HD21 LEU A 7 17.349 -8.103 9.831 1.00 0.24 H new ATOM 0 HD22 LEU A 7 15.716 -8.593 10.341 1.00 0.24 H new ATOM 0 HD23 LEU A 7 16.197 -8.739 8.634 1.00 0.24 H new ATOM 105 N ASP A 8 11.912 -8.503 7.209 1.00 0.21 N ATOM 106 CA ASP A 8 10.504 -8.635 6.823 1.00 0.24 C ATOM 107 C ASP A 8 9.600 -7.686 7.610 1.00 0.21 C ATOM 108 O ASP A 8 9.536 -7.740 8.839 1.00 0.29 O ATOM 109 CB ASP A 8 10.036 -10.079 7.010 1.00 0.37 C ATOM 110 CG ASP A 8 8.562 -10.255 6.701 1.00 0.52 C ATOM 111 OD1 ASP A 8 7.788 -10.554 7.633 1.00 0.64 O ATOM 112 OD2 ASP A 8 8.170 -10.090 5.527 1.00 0.65 O ATOM 0 H ASP A 8 12.352 -9.383 7.480 1.00 0.21 H new ATOM 0 HA ASP A 8 10.430 -8.362 5.770 1.00 0.24 H new ATOM 0 HB2 ASP A 8 10.620 -10.734 6.364 1.00 0.37 H new ATOM 0 HB3 ASP A 8 10.229 -10.390 8.037 1.00 0.37 H new ATOM 117 N LEU A 9 8.910 -6.821 6.877 1.00 0.18 N ATOM 118 CA LEU A 9 8.046 -5.809 7.462 1.00 0.16 C ATOM 119 C LEU A 9 6.620 -6.328 7.614 1.00 0.18 C ATOM 120 O LEU A 9 6.312 -7.441 7.190 1.00 0.26 O ATOM 121 CB LEU A 9 8.029 -4.580 6.557 1.00 0.13 C ATOM 122 CG LEU A 9 7.721 -3.260 7.255 1.00 0.14 C ATOM 123 CD1 LEU A 9 8.947 -2.763 7.991 1.00 0.13 C ATOM 124 CD2 LEU A 9 7.233 -2.231 6.260 1.00 0.20 C ATOM 0 H LEU A 9 8.935 -6.803 5.857 1.00 0.18 H new ATOM 0 HA LEU A 9 8.433 -5.554 8.448 1.00 0.16 H new ATOM 0 HB2 LEU A 9 9.000 -4.496 6.069 1.00 0.13 H new ATOM 0 HB3 LEU A 9 7.290 -4.738 5.772 1.00 0.13 H new ATOM 0 HG LEU A 9 6.926 -3.425 7.982 1.00 0.14 H new ATOM 0 HD11 LEU A 9 8.717 -1.820 8.486 1.00 0.13 H new ATOM 0 HD12 LEU A 9 9.248 -3.500 8.736 1.00 0.13 H new ATOM 0 HD13 LEU A 9 9.761 -2.611 7.282 1.00 0.13 H new ATOM 0 HD21 LEU A 9 7.019 -1.296 6.779 1.00 0.20 H new ATOM 0 HD22 LEU A 9 8.002 -2.060 5.507 1.00 0.20 H new ATOM 0 HD23 LEU A 9 6.326 -2.594 5.777 1.00 0.20 H new ATOM 136 N SER A 10 5.748 -5.526 8.211 1.00 0.18 N ATOM 137 CA SER A 10 4.337 -5.868 8.291 1.00 0.21 C ATOM 138 C SER A 10 3.711 -5.866 6.894 1.00 0.19 C ATOM 139 O SER A 10 3.101 -6.852 6.478 1.00 0.24 O ATOM 140 CB SER A 10 3.603 -4.889 9.208 1.00 0.25 C ATOM 141 OG SER A 10 4.162 -4.891 10.513 1.00 1.21 O ATOM 0 H SER A 10 5.994 -4.636 8.646 1.00 0.18 H new ATOM 0 HA SER A 10 4.244 -6.869 8.711 1.00 0.21 H new ATOM 0 HB2 SER A 10 3.656 -3.884 8.788 1.00 0.25 H new ATOM 0 HB3 SER A 10 2.548 -5.157 9.261 1.00 0.25 H new ATOM 0 HG SER A 10 3.675 -4.255 11.078 1.00 1.21 H new ATOM 147 N CYS A 11 3.887 -4.768 6.161 1.00 0.15 N ATOM 148 CA CYS A 11 3.372 -4.676 4.806 1.00 0.15 C ATOM 149 C CYS A 11 4.524 -4.700 3.811 1.00 0.14 C ATOM 150 O CYS A 11 5.392 -3.833 3.828 1.00 0.12 O ATOM 151 CB CYS A 11 2.522 -3.410 4.611 1.00 0.17 C ATOM 152 SG CYS A 11 3.428 -1.824 4.712 1.00 0.19 S ATOM 0 H CYS A 11 4.380 -3.936 6.485 1.00 0.15 H new ATOM 0 HA CYS A 11 2.727 -5.537 4.630 1.00 0.15 H new ATOM 0 HB2 CYS A 11 2.035 -3.468 3.638 1.00 0.17 H new ATOM 0 HB3 CYS A 11 1.733 -3.405 5.363 1.00 0.17 H new ATOM 157 N VAL A 12 4.569 -5.740 2.999 1.00 0.15 N ATOM 158 CA VAL A 12 5.546 -5.834 1.922 1.00 0.13 C ATOM 159 C VAL A 12 5.068 -6.796 0.842 1.00 0.16 C ATOM 160 O VAL A 12 4.570 -7.883 1.133 1.00 0.21 O ATOM 161 CB VAL A 12 6.963 -6.240 2.430 1.00 0.11 C ATOM 162 CG1 VAL A 12 6.890 -6.964 3.765 1.00 0.12 C ATOM 163 CG2 VAL A 12 7.696 -7.099 1.409 1.00 0.12 C ATOM 0 H VAL A 12 3.937 -6.538 3.063 1.00 0.15 H new ATOM 0 HA VAL A 12 5.637 -4.836 1.493 1.00 0.13 H new ATOM 0 HB VAL A 12 7.526 -5.317 2.570 1.00 0.11 H new ATOM 0 HG11 VAL A 12 7.896 -7.232 4.089 1.00 0.12 H new ATOM 0 HG12 VAL A 12 6.431 -6.312 4.508 1.00 0.12 H new ATOM 0 HG13 VAL A 12 6.291 -7.868 3.656 1.00 0.12 H new ATOM 0 HG21 VAL A 12 8.680 -7.364 1.796 1.00 0.12 H new ATOM 0 HG22 VAL A 12 7.124 -8.007 1.220 1.00 0.12 H new ATOM 0 HG23 VAL A 12 7.810 -6.542 0.479 1.00 0.12 H new ATOM 173 N HIS A 13 5.160 -6.350 -0.405 1.00 0.17 N ATOM 174 CA HIS A 13 4.903 -7.199 -1.566 1.00 0.24 C ATOM 175 C HIS A 13 5.950 -8.308 -1.657 1.00 0.37 C ATOM 176 O HIS A 13 6.806 -8.280 -2.542 1.00 0.98 O ATOM 177 CB HIS A 13 4.988 -6.374 -2.846 1.00 0.32 C ATOM 178 CG HIS A 13 3.741 -5.637 -3.207 1.00 0.47 C ATOM 179 ND1 HIS A 13 2.723 -6.202 -3.935 1.00 0.68 N ATOM 180 CD2 HIS A 13 3.366 -4.361 -2.968 1.00 0.83 C ATOM 181 CE1 HIS A 13 1.783 -5.306 -4.130 1.00 1.01 C ATOM 182 NE2 HIS A 13 2.149 -4.181 -3.551 1.00 1.09 N ATOM 0 H HIS A 13 5.414 -5.391 -0.642 1.00 0.17 H new ATOM 0 HA HIS A 13 3.908 -7.629 -1.453 1.00 0.24 H new ATOM 0 HB2 HIS A 13 5.800 -5.654 -2.743 1.00 0.32 H new ATOM 0 HB3 HIS A 13 5.252 -7.037 -3.670 1.00 0.32 H new ATOM 0 HD2 HIS A 13 3.928 -3.621 -2.417 1.00 0.83 H new ATOM 0 HE1 HIS A 13 0.864 -5.465 -4.674 1.00 1.01 H new ATOM 0 HE2 HIS A 13 1.609 -3.316 -3.541 1.00 1.09 H new ATOM 190 N SER A 14 5.895 -9.273 -0.755 1.00 0.37 N ATOM 191 CA SER A 14 6.863 -10.360 -0.740 1.00 0.35 C ATOM 192 C SER A 14 6.528 -11.408 -1.807 1.00 0.52 C ATOM 193 O SER A 14 6.537 -12.612 -1.553 1.00 1.14 O ATOM 194 CB SER A 14 6.925 -10.973 0.661 1.00 0.30 C ATOM 195 OG SER A 14 5.624 -11.108 1.217 1.00 1.16 O ATOM 0 H SER A 14 5.189 -9.327 -0.021 1.00 0.37 H new ATOM 0 HA SER A 14 7.849 -9.965 -0.984 1.00 0.35 H new ATOM 0 HB2 SER A 14 7.407 -11.950 0.613 1.00 0.30 H new ATOM 0 HB3 SER A 14 7.538 -10.346 1.309 1.00 0.30 H new ATOM 0 HG SER A 14 5.690 -11.503 2.111 1.00 1.16 H new ATOM 201 N ASP A 15 6.236 -10.916 -3.004 1.00 0.25 N ATOM 202 CA ASP A 15 5.941 -11.755 -4.157 1.00 0.31 C ATOM 203 C ASP A 15 6.723 -11.225 -5.359 1.00 0.28 C ATOM 204 O ASP A 15 6.540 -11.663 -6.496 1.00 0.55 O ATOM 205 CB ASP A 15 4.429 -11.750 -4.434 1.00 0.48 C ATOM 206 CG ASP A 15 4.015 -12.710 -5.533 1.00 1.66 C ATOM 207 OD1 ASP A 15 3.397 -12.260 -6.523 1.00 2.50 O ATOM 208 OD2 ASP A 15 4.302 -13.919 -5.414 1.00 2.26 O ATOM 0 H ASP A 15 6.197 -9.916 -3.203 1.00 0.25 H new ATOM 0 HA ASP A 15 6.241 -12.785 -3.963 1.00 0.31 H new ATOM 0 HB2 ASP A 15 3.898 -12.008 -3.517 1.00 0.48 H new ATOM 0 HB3 ASP A 15 4.121 -10.741 -4.708 1.00 0.48 H new ATOM 213 N ASN A 16 7.612 -10.275 -5.059 1.00 0.23 N ATOM 214 CA ASN A 16 8.468 -9.607 -6.047 1.00 0.21 C ATOM 215 C ASN A 16 7.641 -8.651 -6.898 1.00 0.19 C ATOM 216 O ASN A 16 7.291 -8.948 -8.043 1.00 0.22 O ATOM 217 CB ASN A 16 9.246 -10.592 -6.943 1.00 0.23 C ATOM 218 CG ASN A 16 9.998 -11.646 -6.163 1.00 1.06 C ATOM 219 OD1 ASN A 16 11.121 -11.420 -5.717 1.00 2.09 O ATOM 220 ND2 ASN A 16 9.403 -12.812 -6.030 1.00 0.95 N ATOM 0 H ASN A 16 7.761 -9.941 -4.107 1.00 0.23 H new ATOM 0 HA ASN A 16 9.215 -9.046 -5.486 1.00 0.21 H new ATOM 0 HB2 ASN A 16 8.549 -11.082 -7.623 1.00 0.23 H new ATOM 0 HB3 ASN A 16 9.951 -10.033 -7.558 1.00 0.23 H new ATOM 0 HD21 ASN A 16 9.875 -13.572 -5.541 1.00 0.95 H new ATOM 0 HD22 ASN A 16 8.470 -12.955 -6.416 1.00 0.95 H new ATOM 227 N LYS A 17 7.345 -7.492 -6.323 1.00 0.19 N ATOM 228 CA LYS A 17 6.547 -6.473 -6.988 1.00 0.19 C ATOM 229 C LYS A 17 7.035 -5.082 -6.634 1.00 0.21 C ATOM 230 O LYS A 17 7.402 -4.809 -5.489 1.00 0.28 O ATOM 231 CB LYS A 17 5.073 -6.589 -6.589 1.00 0.23 C ATOM 232 CG LYS A 17 4.251 -7.554 -7.421 1.00 0.25 C ATOM 233 CD LYS A 17 3.923 -6.956 -8.777 1.00 0.25 C ATOM 234 CE LYS A 17 2.735 -7.637 -9.427 1.00 0.43 C ATOM 235 NZ LYS A 17 2.956 -9.089 -9.662 1.00 0.93 N ATOM 0 H LYS A 17 7.651 -7.234 -5.385 1.00 0.19 H new ATOM 0 HA LYS A 17 6.651 -6.633 -8.061 1.00 0.19 H new ATOM 0 HB2 LYS A 17 5.019 -6.898 -5.545 1.00 0.23 H new ATOM 0 HB3 LYS A 17 4.617 -5.601 -6.653 1.00 0.23 H new ATOM 0 HG2 LYS A 17 4.801 -8.486 -7.553 1.00 0.25 H new ATOM 0 HG3 LYS A 17 3.329 -7.800 -6.895 1.00 0.25 H new ATOM 0 HD2 LYS A 17 3.713 -5.893 -8.663 1.00 0.25 H new ATOM 0 HD3 LYS A 17 4.791 -7.041 -9.430 1.00 0.25 H new ATOM 0 HE2 LYS A 17 1.857 -7.506 -8.794 1.00 0.43 H new ATOM 0 HE3 LYS A 17 2.519 -7.149 -10.377 1.00 0.43 H new ATOM 0 HZ1 LYS A 17 2.140 -9.487 -10.169 1.00 0.93 H new ATOM 0 HZ2 LYS A 17 3.816 -9.221 -10.232 1.00 0.93 H new ATOM 0 HZ3 LYS A 17 3.068 -9.575 -8.750 1.00 0.93 H new ATOM 249 N GLY A 18 7.015 -4.206 -7.620 1.00 0.19 N ATOM 250 CA GLY A 18 7.393 -2.832 -7.404 1.00 0.20 C ATOM 251 C GLY A 18 6.291 -1.895 -7.830 1.00 0.15 C ATOM 252 O GLY A 18 5.222 -2.348 -8.230 1.00 0.15 O ATOM 0 H GLY A 18 6.740 -4.426 -8.577 1.00 0.19 H new ATOM 0 HA2 GLY A 18 7.621 -2.675 -6.350 1.00 0.20 H new ATOM 0 HA3 GLY A 18 8.302 -2.609 -7.963 1.00 0.20 H new ATOM 256 N SER A 19 6.540 -0.598 -7.762 1.00 0.19 N ATOM 257 CA SER A 19 5.529 0.380 -8.099 1.00 0.18 C ATOM 258 C SER A 19 6.132 1.565 -8.832 1.00 0.22 C ATOM 259 O SER A 19 7.237 1.999 -8.520 1.00 0.36 O ATOM 260 CB SER A 19 4.836 0.840 -6.821 1.00 0.21 C ATOM 261 OG SER A 19 5.784 1.213 -5.838 1.00 1.22 O ATOM 0 H SER A 19 7.435 -0.201 -7.476 1.00 0.19 H new ATOM 0 HA SER A 19 4.801 -0.081 -8.767 1.00 0.18 H new ATOM 0 HB2 SER A 19 4.183 1.684 -7.041 1.00 0.21 H new ATOM 0 HB3 SER A 19 4.204 0.039 -6.437 1.00 0.21 H new ATOM 0 HG SER A 19 6.112 2.117 -6.026 1.00 1.22 H new ATOM 267 N ARG A 20 5.406 2.078 -9.813 1.00 0.18 N ATOM 268 CA ARG A 20 5.880 3.207 -10.589 1.00 0.20 C ATOM 269 C ARG A 20 5.346 4.517 -10.026 1.00 0.17 C ATOM 270 O ARG A 20 4.142 4.700 -9.866 1.00 0.16 O ATOM 271 CB ARG A 20 5.481 3.053 -12.053 1.00 0.24 C ATOM 272 CG ARG A 20 5.812 1.686 -12.611 1.00 0.31 C ATOM 273 CD ARG A 20 6.003 1.724 -14.115 1.00 0.40 C ATOM 274 NE ARG A 20 6.565 0.473 -14.627 1.00 0.58 N ATOM 275 CZ ARG A 20 6.041 -0.232 -15.629 1.00 0.97 C ATOM 276 NH1 ARG A 20 4.934 0.182 -16.236 1.00 2.03 N ATOM 277 NH2 ARG A 20 6.634 -1.349 -16.032 1.00 0.92 N ATOM 0 H ARG A 20 4.488 1.729 -10.088 1.00 0.18 H new ATOM 0 HA ARG A 20 6.968 3.229 -10.526 1.00 0.20 H new ATOM 0 HB2 ARG A 20 4.411 3.232 -12.154 1.00 0.24 H new ATOM 0 HB3 ARG A 20 5.989 3.815 -12.645 1.00 0.24 H new ATOM 0 HG2 ARG A 20 6.720 1.310 -12.139 1.00 0.31 H new ATOM 0 HG3 ARG A 20 5.012 0.989 -12.364 1.00 0.31 H new ATOM 0 HD2 ARG A 20 5.045 1.915 -14.598 1.00 0.40 H new ATOM 0 HD3 ARG A 20 6.662 2.552 -14.376 1.00 0.40 H new ATOM 0 HE ARG A 20 7.414 0.117 -14.188 1.00 0.58 H new ATOM 0 HH11 ARG A 20 4.480 1.044 -15.936 1.00 2.03 H new ATOM 0 HH12 ARG A 20 4.538 -0.363 -17.002 1.00 2.03 H new ATOM 0 HH21 ARG A 20 7.489 -1.666 -15.575 1.00 0.92 H new ATOM 0 HH22 ARG A 20 6.235 -1.890 -16.799 1.00 0.92 H new ATOM 291 N ALA A 21 6.269 5.410 -9.727 1.00 0.17 N ATOM 292 CA ALA A 21 5.982 6.713 -9.145 1.00 0.15 C ATOM 293 C ALA A 21 7.320 7.414 -8.935 1.00 0.17 C ATOM 294 O ALA A 21 8.354 6.746 -8.914 1.00 0.20 O ATOM 295 CB ALA A 21 5.210 6.559 -7.834 1.00 0.17 C ATOM 0 H ALA A 21 7.264 5.249 -9.885 1.00 0.17 H new ATOM 0 HA ALA A 21 5.350 7.308 -9.805 1.00 0.15 H new ATOM 0 HB1 ALA A 21 5.005 7.544 -7.415 1.00 0.17 H new ATOM 0 HB2 ALA A 21 4.269 6.043 -8.024 1.00 0.17 H new ATOM 0 HB3 ALA A 21 5.805 5.980 -7.127 1.00 0.17 H new ATOM 301 N PRO A 22 7.351 8.744 -8.779 1.00 0.17 N ATOM 302 CA PRO A 22 8.611 9.481 -8.742 1.00 0.18 C ATOM 303 C PRO A 22 9.414 9.158 -7.498 1.00 0.16 C ATOM 304 O PRO A 22 8.924 9.320 -6.380 1.00 0.16 O ATOM 305 CB PRO A 22 8.182 10.954 -8.725 1.00 0.21 C ATOM 306 CG PRO A 22 6.736 10.944 -9.088 1.00 0.22 C ATOM 307 CD PRO A 22 6.207 9.639 -8.580 1.00 0.21 C ATOM 0 HA PRO A 22 9.252 9.228 -9.586 1.00 0.18 H new ATOM 0 HB2 PRO A 22 8.338 11.398 -7.742 1.00 0.21 H new ATOM 0 HB3 PRO A 22 8.763 11.542 -9.436 1.00 0.21 H new ATOM 0 HG2 PRO A 22 6.211 11.784 -8.633 1.00 0.22 H new ATOM 0 HG3 PRO A 22 6.601 11.030 -10.166 1.00 0.22 H new ATOM 0 HD2 PRO A 22 5.914 9.699 -7.532 1.00 0.21 H new ATOM 0 HD3 PRO A 22 5.330 9.310 -9.138 1.00 0.21 H new ATOM 315 N THR A 23 10.629 8.669 -7.691 1.00 0.16 N ATOM 316 CA THR A 23 11.521 8.438 -6.576 1.00 0.15 C ATOM 317 C THR A 23 11.879 9.766 -5.934 1.00 0.14 C ATOM 318 O THR A 23 12.633 10.565 -6.492 1.00 0.18 O ATOM 319 CB THR A 23 12.801 7.701 -7.007 1.00 0.17 C ATOM 320 OG1 THR A 23 12.452 6.460 -7.639 1.00 0.18 O ATOM 321 CG2 THR A 23 13.700 7.427 -5.807 1.00 0.17 C ATOM 0 H THR A 23 11.014 8.427 -8.604 1.00 0.16 H new ATOM 0 HA THR A 23 11.005 7.802 -5.857 1.00 0.15 H new ATOM 0 HB THR A 23 13.344 8.334 -7.709 1.00 0.17 H new ATOM 0 HG1 THR A 23 13.198 5.830 -7.556 1.00 0.18 H new ATOM 0 HG21 THR A 23 14.598 6.905 -6.137 1.00 0.17 H new ATOM 0 HG22 THR A 23 13.980 8.371 -5.339 1.00 0.17 H new ATOM 0 HG23 THR A 23 13.166 6.809 -5.086 1.00 0.17 H new ATOM 329 N ILE A 24 11.288 10.008 -4.783 1.00 0.12 N ATOM 330 CA ILE A 24 11.492 11.240 -4.056 1.00 0.12 C ATOM 331 C ILE A 24 12.917 11.324 -3.527 1.00 0.14 C ATOM 332 O ILE A 24 13.346 10.482 -2.739 1.00 0.15 O ATOM 333 CB ILE A 24 10.506 11.346 -2.887 1.00 0.11 C ATOM 334 CG1 ILE A 24 9.099 11.008 -3.360 1.00 0.11 C ATOM 335 CG2 ILE A 24 10.543 12.741 -2.301 1.00 0.13 C ATOM 336 CD1 ILE A 24 8.083 10.972 -2.246 1.00 0.13 C ATOM 0 H ILE A 24 10.652 9.354 -4.326 1.00 0.12 H new ATOM 0 HA ILE A 24 11.320 12.067 -4.745 1.00 0.12 H new ATOM 0 HB ILE A 24 10.795 10.635 -2.113 1.00 0.11 H new ATOM 0 HG12 ILE A 24 8.787 11.743 -4.102 1.00 0.11 H new ATOM 0 HG13 ILE A 24 9.115 10.039 -3.858 1.00 0.11 H new ATOM 0 HG21 ILE A 24 9.839 12.806 -1.471 1.00 0.13 H new ATOM 0 HG22 ILE A 24 11.549 12.958 -1.941 1.00 0.13 H new ATOM 0 HG23 ILE A 24 10.268 13.465 -3.068 1.00 0.13 H new ATOM 0 HD11 ILE A 24 7.103 10.725 -2.655 1.00 0.13 H new ATOM 0 HD12 ILE A 24 8.372 10.217 -1.515 1.00 0.13 H new ATOM 0 HD13 ILE A 24 8.039 11.948 -1.762 1.00 0.13 H new ATOM 348 N GLY A 25 13.642 12.340 -3.965 1.00 0.14 N ATOM 349 CA GLY A 25 15.024 12.494 -3.557 1.00 0.16 C ATOM 350 C GLY A 25 15.919 11.415 -4.142 1.00 0.16 C ATOM 351 O GLY A 25 15.920 11.191 -5.354 1.00 0.24 O ATOM 0 H GLY A 25 13.299 13.063 -4.597 1.00 0.14 H new ATOM 0 HA2 GLY A 25 15.386 13.473 -3.870 1.00 0.16 H new ATOM 0 HA3 GLY A 25 15.085 12.464 -2.469 1.00 0.16 H new ATOM 355 N GLU A 26 16.670 10.744 -3.282 1.00 0.17 N ATOM 356 CA GLU A 26 17.561 9.669 -3.700 1.00 0.16 C ATOM 357 C GLU A 26 17.259 8.397 -2.916 1.00 0.16 C ATOM 358 O GLU A 26 16.801 8.464 -1.773 1.00 0.21 O ATOM 359 CB GLU A 26 19.020 10.074 -3.485 1.00 0.26 C ATOM 360 CG GLU A 26 19.556 11.016 -4.548 1.00 1.20 C ATOM 361 CD GLU A 26 19.681 10.344 -5.901 1.00 1.83 C ATOM 362 OE1 GLU A 26 18.777 10.529 -6.746 1.00 2.41 O ATOM 363 OE2 GLU A 26 20.678 9.629 -6.129 1.00 2.09 O ATOM 0 H GLU A 26 16.680 10.927 -2.279 1.00 0.17 H new ATOM 0 HA GLU A 26 17.398 9.480 -4.761 1.00 0.16 H new ATOM 0 HB2 GLU A 26 19.115 10.550 -2.509 1.00 0.26 H new ATOM 0 HB3 GLU A 26 19.637 9.176 -3.463 1.00 0.26 H new ATOM 0 HG2 GLU A 26 18.895 11.879 -4.633 1.00 1.20 H new ATOM 0 HG3 GLU A 26 20.532 11.391 -4.239 1.00 1.20 H new ATOM 370 N PRO A 27 17.507 7.217 -3.515 1.00 0.13 N ATOM 371 CA PRO A 27 17.256 5.939 -2.866 1.00 0.13 C ATOM 372 C PRO A 27 18.313 5.588 -1.838 1.00 0.14 C ATOM 373 O PRO A 27 19.446 6.070 -1.892 1.00 0.20 O ATOM 374 CB PRO A 27 17.283 4.915 -4.006 1.00 0.14 C ATOM 375 CG PRO A 27 17.445 5.704 -5.264 1.00 0.14 C ATOM 376 CD PRO A 27 18.043 7.023 -4.865 1.00 0.14 C ATOM 0 HA PRO A 27 16.312 5.962 -2.322 1.00 0.13 H new ATOM 0 HB2 PRO A 27 18.105 4.211 -3.879 1.00 0.14 H new ATOM 0 HB3 PRO A 27 16.363 4.331 -4.028 1.00 0.14 H new ATOM 0 HG2 PRO A 27 18.092 5.182 -5.969 1.00 0.14 H new ATOM 0 HG3 PRO A 27 16.484 5.847 -5.759 1.00 0.14 H new ATOM 0 HD2 PRO A 27 19.133 6.993 -4.869 1.00 0.14 H new ATOM 0 HD3 PRO A 27 17.744 7.825 -5.540 1.00 0.14 H new ATOM 384 N VAL A 28 17.931 4.736 -0.909 1.00 0.13 N ATOM 385 CA VAL A 28 18.822 4.309 0.155 1.00 0.13 C ATOM 386 C VAL A 28 19.218 2.859 -0.047 1.00 0.13 C ATOM 387 O VAL A 28 18.402 1.966 0.143 1.00 0.10 O ATOM 388 CB VAL A 28 18.151 4.424 1.531 1.00 0.13 C ATOM 389 CG1 VAL A 28 19.187 4.745 2.594 1.00 0.16 C ATOM 390 CG2 VAL A 28 17.044 5.460 1.509 1.00 0.14 C ATOM 0 H VAL A 28 17.000 4.321 -0.868 1.00 0.13 H new ATOM 0 HA VAL A 28 19.696 4.959 0.121 1.00 0.13 H new ATOM 0 HB VAL A 28 17.696 3.465 1.778 1.00 0.13 H new ATOM 0 HG11 VAL A 28 18.699 4.824 3.565 1.00 0.16 H new ATOM 0 HG12 VAL A 28 19.933 3.951 2.626 1.00 0.16 H new ATOM 0 HG13 VAL A 28 19.673 5.691 2.354 1.00 0.16 H new ATOM 0 HG21 VAL A 28 16.584 5.522 2.495 1.00 0.14 H new ATOM 0 HG22 VAL A 28 17.460 6.431 1.240 1.00 0.14 H new ATOM 0 HG23 VAL A 28 16.291 5.172 0.775 1.00 0.14 H new ATOM 400 N PRO A 29 20.454 2.597 -0.445 1.00 0.17 N ATOM 401 CA PRO A 29 20.913 1.243 -0.683 1.00 0.17 C ATOM 402 C PRO A 29 21.409 0.562 0.580 1.00 0.17 C ATOM 403 O PRO A 29 21.835 1.226 1.527 1.00 0.20 O ATOM 404 CB PRO A 29 22.044 1.454 -1.658 1.00 0.20 C ATOM 405 CG PRO A 29 22.655 2.743 -1.222 1.00 0.23 C ATOM 406 CD PRO A 29 21.517 3.586 -0.694 1.00 0.21 C ATOM 0 HA PRO A 29 20.120 0.590 -1.048 1.00 0.17 H new ATOM 0 HB2 PRO A 29 22.764 0.637 -1.618 1.00 0.20 H new ATOM 0 HB3 PRO A 29 21.682 1.510 -2.685 1.00 0.20 H new ATOM 0 HG2 PRO A 29 23.408 2.577 -0.451 1.00 0.23 H new ATOM 0 HG3 PRO A 29 23.155 3.239 -2.054 1.00 0.23 H new ATOM 0 HD2 PRO A 29 21.797 4.115 0.217 1.00 0.21 H new ATOM 0 HD3 PRO A 29 21.205 4.340 -1.417 1.00 0.21 H new ATOM 414 N ASP A 30 21.333 -0.761 0.581 1.00 0.17 N ATOM 415 CA ASP A 30 21.806 -1.567 1.695 1.00 0.20 C ATOM 416 C ASP A 30 21.031 -1.216 2.968 1.00 0.18 C ATOM 417 O ASP A 30 21.609 -0.891 4.007 1.00 0.28 O ATOM 418 CB ASP A 30 23.316 -1.361 1.874 1.00 0.27 C ATOM 419 CG ASP A 30 23.968 -2.450 2.704 1.00 0.37 C ATOM 420 OD1 ASP A 30 24.271 -3.528 2.143 1.00 0.47 O ATOM 421 OD2 ASP A 30 24.194 -2.239 3.912 1.00 0.48 O ATOM 0 H ASP A 30 20.942 -1.304 -0.189 1.00 0.17 H new ATOM 0 HA ASP A 30 21.631 -2.622 1.486 1.00 0.20 H new ATOM 0 HB2 ASP A 30 23.791 -1.325 0.894 1.00 0.27 H new ATOM 0 HB3 ASP A 30 23.492 -0.396 2.349 1.00 0.27 H new ATOM 426 N VAL A 31 19.703 -1.281 2.869 1.00 0.12 N ATOM 427 CA VAL A 31 18.827 -0.932 3.981 1.00 0.12 C ATOM 428 C VAL A 31 17.745 -1.976 4.138 1.00 0.12 C ATOM 429 O VAL A 31 17.418 -2.702 3.202 1.00 0.13 O ATOM 430 CB VAL A 31 18.165 0.461 3.818 1.00 0.12 C ATOM 431 CG1 VAL A 31 19.227 1.529 3.658 1.00 0.14 C ATOM 432 CG2 VAL A 31 17.163 0.498 2.663 1.00 0.10 C ATOM 0 H VAL A 31 19.211 -1.574 2.025 1.00 0.12 H new ATOM 0 HA VAL A 31 19.457 -0.895 4.870 1.00 0.12 H new ATOM 0 HB VAL A 31 17.597 0.664 4.726 1.00 0.12 H new ATOM 0 HG11 VAL A 31 18.750 2.502 3.544 1.00 0.14 H new ATOM 0 HG12 VAL A 31 19.868 1.540 4.540 1.00 0.14 H new ATOM 0 HG13 VAL A 31 19.829 1.315 2.775 1.00 0.14 H new ATOM 0 HG21 VAL A 31 16.727 1.495 2.591 1.00 0.10 H new ATOM 0 HG22 VAL A 31 17.673 0.257 1.731 1.00 0.10 H new ATOM 0 HG23 VAL A 31 16.373 -0.231 2.843 1.00 0.10 H new ATOM 442 N SER A 32 17.197 -2.038 5.328 1.00 0.16 N ATOM 443 CA SER A 32 16.172 -2.997 5.655 1.00 0.16 C ATOM 444 C SER A 32 14.812 -2.502 5.174 1.00 0.16 C ATOM 445 O SER A 32 14.672 -1.331 4.813 1.00 0.18 O ATOM 446 CB SER A 32 16.164 -3.211 7.165 1.00 0.18 C ATOM 447 OG SER A 32 15.074 -4.016 7.575 1.00 0.19 O ATOM 0 H SER A 32 17.452 -1.421 6.100 1.00 0.16 H new ATOM 0 HA SER A 32 16.379 -3.944 5.156 1.00 0.16 H new ATOM 0 HB2 SER A 32 17.099 -3.681 7.471 1.00 0.18 H new ATOM 0 HB3 SER A 32 16.113 -2.246 7.669 1.00 0.18 H new ATOM 0 HG SER A 32 14.907 -3.879 8.531 1.00 0.19 H new ATOM 453 N LEU A 33 13.814 -3.378 5.164 1.00 0.14 N ATOM 454 CA LEU A 33 12.457 -2.960 4.849 1.00 0.14 C ATOM 455 C LEU A 33 12.018 -1.977 5.906 1.00 0.13 C ATOM 456 O LEU A 33 11.432 -0.941 5.617 1.00 0.13 O ATOM 457 CB LEU A 33 11.499 -4.156 4.820 1.00 0.14 C ATOM 458 CG LEU A 33 11.961 -5.353 3.988 1.00 0.14 C ATOM 459 CD1 LEU A 33 10.826 -6.346 3.809 1.00 0.16 C ATOM 460 CD2 LEU A 33 12.494 -4.894 2.646 1.00 0.14 C ATOM 0 H LEU A 33 13.919 -4.372 5.368 1.00 0.14 H new ATOM 0 HA LEU A 33 12.438 -2.502 3.860 1.00 0.14 H new ATOM 0 HB2 LEU A 33 11.333 -4.491 5.844 1.00 0.14 H new ATOM 0 HB3 LEU A 33 10.537 -3.819 4.435 1.00 0.14 H new ATOM 0 HG LEU A 33 12.770 -5.854 4.521 1.00 0.14 H new ATOM 0 HD11 LEU A 33 11.173 -7.191 3.215 1.00 0.16 H new ATOM 0 HD12 LEU A 33 10.495 -6.700 4.785 1.00 0.16 H new ATOM 0 HD13 LEU A 33 9.995 -5.860 3.298 1.00 0.16 H new ATOM 0 HD21 LEU A 33 12.818 -5.759 2.068 1.00 0.14 H new ATOM 0 HD22 LEU A 33 11.709 -4.368 2.103 1.00 0.14 H new ATOM 0 HD23 LEU A 33 13.339 -4.224 2.800 1.00 0.14 H new ATOM 472 N GLU A 34 12.386 -2.293 7.130 1.00 0.14 N ATOM 473 CA GLU A 34 12.046 -1.476 8.275 1.00 0.14 C ATOM 474 C GLU A 34 12.746 -0.126 8.196 1.00 0.14 C ATOM 475 O GLU A 34 12.188 0.899 8.585 1.00 0.19 O ATOM 476 CB GLU A 34 12.432 -2.210 9.557 1.00 0.15 C ATOM 477 CG GLU A 34 12.179 -3.708 9.490 1.00 0.16 C ATOM 478 CD GLU A 34 12.272 -4.371 10.845 1.00 0.23 C ATOM 479 OE1 GLU A 34 11.242 -4.868 11.343 1.00 0.43 O ATOM 480 OE2 GLU A 34 13.371 -4.382 11.429 1.00 0.43 O ATOM 0 H GLU A 34 12.930 -3.125 7.359 1.00 0.14 H new ATOM 0 HA GLU A 34 10.971 -1.296 8.279 1.00 0.14 H new ATOM 0 HB2 GLU A 34 13.488 -2.035 9.764 1.00 0.15 H new ATOM 0 HB3 GLU A 34 11.870 -1.790 10.391 1.00 0.15 H new ATOM 0 HG2 GLU A 34 11.190 -3.888 9.068 1.00 0.16 H new ATOM 0 HG3 GLU A 34 12.902 -4.166 8.815 1.00 0.16 H new ATOM 487 N GLN A 35 13.959 -0.132 7.661 1.00 0.13 N ATOM 488 CA GLN A 35 14.725 1.094 7.496 1.00 0.14 C ATOM 489 C GLN A 35 14.146 1.941 6.377 1.00 0.12 C ATOM 490 O GLN A 35 14.012 3.152 6.500 1.00 0.15 O ATOM 491 CB GLN A 35 16.181 0.789 7.170 1.00 0.17 C ATOM 492 CG GLN A 35 17.040 2.034 7.141 1.00 0.24 C ATOM 493 CD GLN A 35 17.593 2.371 8.499 1.00 0.69 C ATOM 494 OE1 GLN A 35 16.988 3.113 9.270 1.00 1.45 O ATOM 495 NE2 GLN A 35 18.741 1.804 8.804 1.00 0.67 N ATOM 0 H GLN A 35 14.434 -0.973 7.334 1.00 0.13 H new ATOM 0 HA GLN A 35 14.671 1.639 8.438 1.00 0.14 H new ATOM 0 HB2 GLN A 35 16.578 0.094 7.910 1.00 0.17 H new ATOM 0 HB3 GLN A 35 16.237 0.290 6.202 1.00 0.17 H new ATOM 0 HG2 GLN A 35 17.863 1.890 6.440 1.00 0.24 H new ATOM 0 HG3 GLN A 35 16.450 2.873 6.772 1.00 0.24 H new ATOM 0 HE21 GLN A 35 19.204 1.196 8.129 1.00 0.67 H new ATOM 0 HE22 GLN A 35 19.167 1.973 9.715 1.00 0.67 H new ATOM 504 N CYS A 36 13.807 1.292 5.280 1.00 0.10 N ATOM 505 CA CYS A 36 13.269 1.994 4.131 1.00 0.09 C ATOM 506 C CYS A 36 11.862 2.493 4.438 1.00 0.10 C ATOM 507 O CYS A 36 11.437 3.545 3.960 1.00 0.10 O ATOM 508 CB CYS A 36 13.265 1.089 2.911 1.00 0.08 C ATOM 509 SG CYS A 36 12.357 1.787 1.496 1.00 0.08 S ATOM 0 H CYS A 36 13.894 0.283 5.160 1.00 0.10 H new ATOM 0 HA CYS A 36 13.903 2.854 3.913 1.00 0.09 H new ATOM 0 HB2 CYS A 36 14.294 0.891 2.611 1.00 0.08 H new ATOM 0 HB3 CYS A 36 12.822 0.130 3.180 1.00 0.08 H new ATOM 514 N ALA A 37 11.146 1.731 5.255 1.00 0.11 N ATOM 515 CA ALA A 37 9.856 2.160 5.763 1.00 0.12 C ATOM 516 C ALA A 37 10.027 3.431 6.586 1.00 0.14 C ATOM 517 O ALA A 37 9.186 4.329 6.551 1.00 0.16 O ATOM 518 CB ALA A 37 9.223 1.049 6.592 1.00 0.14 C ATOM 0 H ALA A 37 11.441 0.810 5.579 1.00 0.11 H new ATOM 0 HA ALA A 37 9.190 2.377 4.928 1.00 0.12 H new ATOM 0 HB1 ALA A 37 8.256 1.382 6.968 1.00 0.14 H new ATOM 0 HB2 ALA A 37 9.086 0.164 5.970 1.00 0.14 H new ATOM 0 HB3 ALA A 37 9.874 0.805 7.431 1.00 0.14 H new ATOM 524 N ALA A 38 11.146 3.506 7.303 1.00 0.15 N ATOM 525 CA ALA A 38 11.500 4.693 8.067 1.00 0.16 C ATOM 526 C ALA A 38 11.870 5.837 7.129 1.00 0.15 C ATOM 527 O ALA A 38 11.619 7.000 7.421 1.00 0.19 O ATOM 528 CB ALA A 38 12.661 4.383 9.006 1.00 0.19 C ATOM 0 H ALA A 38 11.827 2.749 7.369 1.00 0.15 H new ATOM 0 HA ALA A 38 10.638 4.997 8.661 1.00 0.16 H new ATOM 0 HB1 ALA A 38 12.919 5.277 9.573 1.00 0.19 H new ATOM 0 HB2 ALA A 38 12.371 3.588 9.693 1.00 0.19 H new ATOM 0 HB3 ALA A 38 13.524 4.062 8.423 1.00 0.19 H new ATOM 534 N GLN A 39 12.456 5.482 5.995 1.00 0.11 N ATOM 535 CA GLN A 39 12.860 6.450 4.982 1.00 0.10 C ATOM 536 C GLN A 39 11.653 7.195 4.422 1.00 0.10 C ATOM 537 O GLN A 39 11.682 8.413 4.273 1.00 0.11 O ATOM 538 CB GLN A 39 13.615 5.726 3.860 1.00 0.09 C ATOM 539 CG GLN A 39 13.964 6.591 2.661 1.00 0.10 C ATOM 540 CD GLN A 39 14.720 7.856 3.033 1.00 0.13 C ATOM 541 OE1 GLN A 39 15.458 7.888 4.018 1.00 0.43 O ATOM 542 NE2 GLN A 39 14.543 8.906 2.247 1.00 0.47 N ATOM 0 H GLN A 39 12.666 4.514 5.750 1.00 0.11 H new ATOM 0 HA GLN A 39 13.517 7.188 5.442 1.00 0.10 H new ATOM 0 HB2 GLN A 39 14.536 5.311 4.270 1.00 0.09 H new ATOM 0 HB3 GLN A 39 13.011 4.885 3.519 1.00 0.09 H new ATOM 0 HG2 GLN A 39 14.566 6.008 1.964 1.00 0.10 H new ATOM 0 HG3 GLN A 39 13.047 6.864 2.139 1.00 0.10 H new ATOM 0 HE21 GLN A 39 13.923 8.840 1.440 1.00 0.47 H new ATOM 0 HE22 GLN A 39 15.027 9.781 2.448 1.00 0.47 H new ATOM 551 N CYS A 40 10.586 6.465 4.141 1.00 0.10 N ATOM 552 CA CYS A 40 9.376 7.067 3.594 1.00 0.11 C ATOM 553 C CYS A 40 8.688 7.924 4.648 1.00 0.14 C ATOM 554 O CYS A 40 7.907 8.819 4.331 1.00 0.17 O ATOM 555 CB CYS A 40 8.443 5.977 3.073 1.00 0.12 C ATOM 556 SG CYS A 40 6.885 6.575 2.334 1.00 0.16 S ATOM 0 H CYS A 40 10.531 5.456 4.281 1.00 0.10 H new ATOM 0 HA CYS A 40 9.644 7.715 2.760 1.00 0.11 H new ATOM 0 HB2 CYS A 40 8.978 5.389 2.327 1.00 0.12 H new ATOM 0 HB3 CYS A 40 8.201 5.304 3.896 1.00 0.12 H new ATOM 561 N LYS A 41 8.998 7.657 5.910 1.00 0.14 N ATOM 562 CA LYS A 41 8.500 8.476 6.998 1.00 0.18 C ATOM 563 C LYS A 41 9.428 9.665 7.223 1.00 0.19 C ATOM 564 O LYS A 41 9.031 10.679 7.798 1.00 0.27 O ATOM 565 CB LYS A 41 8.383 7.644 8.276 1.00 0.20 C ATOM 566 CG LYS A 41 7.454 6.453 8.134 1.00 0.22 C ATOM 567 CD LYS A 41 7.512 5.548 9.352 1.00 0.28 C ATOM 568 CE LYS A 41 6.696 4.284 9.140 1.00 0.32 C ATOM 569 NZ LYS A 41 5.245 4.575 9.017 1.00 1.15 N ATOM 0 H LYS A 41 9.591 6.880 6.201 1.00 0.14 H new ATOM 0 HA LYS A 41 7.510 8.848 6.735 1.00 0.18 H new ATOM 0 HB2 LYS A 41 9.373 7.291 8.563 1.00 0.20 H new ATOM 0 HB3 LYS A 41 8.025 8.281 9.084 1.00 0.20 H new ATOM 0 HG2 LYS A 41 6.432 6.804 7.989 1.00 0.22 H new ATOM 0 HG3 LYS A 41 7.725 5.884 7.245 1.00 0.22 H new ATOM 0 HD2 LYS A 41 8.548 5.283 9.562 1.00 0.28 H new ATOM 0 HD3 LYS A 41 7.137 6.084 10.224 1.00 0.28 H new ATOM 0 HE2 LYS A 41 7.042 3.776 8.240 1.00 0.32 H new ATOM 0 HE3 LYS A 41 6.860 3.602 9.974 1.00 0.32 H new ATOM 0 HZ1 LYS A 41 4.750 4.240 9.868 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 5.104 5.600 8.916 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 4.863 4.089 8.181 1.00 1.15 H new ATOM 583 N ALA A 42 10.670 9.527 6.770 1.00 0.16 N ATOM 584 CA ALA A 42 11.663 10.577 6.910 1.00 0.17 C ATOM 585 C ALA A 42 11.477 11.653 5.849 1.00 0.16 C ATOM 586 O ALA A 42 11.739 12.829 6.096 1.00 0.19 O ATOM 587 CB ALA A 42 13.059 9.984 6.824 1.00 0.17 C ATOM 0 H ALA A 42 11.011 8.689 6.299 1.00 0.16 H new ATOM 0 HA ALA A 42 11.533 11.044 7.886 1.00 0.17 H new ATOM 0 HB1 ALA A 42 13.799 10.778 6.930 1.00 0.17 H new ATOM 0 HB2 ALA A 42 13.194 9.254 7.622 1.00 0.17 H new ATOM 0 HB3 ALA A 42 13.188 9.495 5.859 1.00 0.17 H new ATOM 593 N VAL A 43 11.020 11.253 4.671 1.00 0.14 N ATOM 594 CA VAL A 43 10.757 12.204 3.604 1.00 0.15 C ATOM 595 C VAL A 43 9.267 12.537 3.541 1.00 0.18 C ATOM 596 O VAL A 43 8.427 11.673 3.284 1.00 0.21 O ATOM 597 CB VAL A 43 11.261 11.690 2.230 1.00 0.13 C ATOM 598 CG1 VAL A 43 10.748 10.288 1.938 1.00 0.13 C ATOM 599 CG2 VAL A 43 10.862 12.644 1.117 1.00 0.16 C ATOM 0 H VAL A 43 10.825 10.281 4.432 1.00 0.14 H new ATOM 0 HA VAL A 43 11.313 13.113 3.832 1.00 0.15 H new ATOM 0 HB VAL A 43 12.349 11.646 2.276 1.00 0.13 H new ATOM 0 HG11 VAL A 43 11.120 9.959 0.968 1.00 0.13 H new ATOM 0 HG12 VAL A 43 11.098 9.604 2.712 1.00 0.13 H new ATOM 0 HG13 VAL A 43 9.658 10.295 1.925 1.00 0.13 H new ATOM 0 HG21 VAL A 43 11.226 12.263 0.163 1.00 0.16 H new ATOM 0 HG22 VAL A 43 9.776 12.729 1.083 1.00 0.16 H new ATOM 0 HG23 VAL A 43 11.297 13.625 1.306 1.00 0.16 H new ATOM 609 N ASP A 44 8.942 13.794 3.804 1.00 0.27 N ATOM 610 CA ASP A 44 7.556 14.235 3.791 1.00 0.34 C ATOM 611 C ASP A 44 7.079 14.414 2.365 1.00 0.32 C ATOM 612 O ASP A 44 7.602 15.236 1.611 1.00 0.39 O ATOM 613 CB ASP A 44 7.375 15.530 4.588 1.00 0.49 C ATOM 614 CG ASP A 44 7.595 15.336 6.075 1.00 0.57 C ATOM 615 OD1 ASP A 44 8.620 15.822 6.601 1.00 0.63 O ATOM 616 OD2 ASP A 44 6.748 14.693 6.728 1.00 0.70 O ATOM 0 H ASP A 44 9.617 14.525 4.028 1.00 0.27 H new ATOM 0 HA ASP A 44 6.951 13.466 4.271 1.00 0.34 H new ATOM 0 HB2 ASP A 44 8.072 16.281 4.216 1.00 0.49 H new ATOM 0 HB3 ASP A 44 6.370 15.917 4.421 1.00 0.49 H new ATOM 621 N GLY A 45 6.084 13.632 2.003 1.00 0.29 N ATOM 622 CA GLY A 45 5.588 13.633 0.651 1.00 0.27 C ATOM 623 C GLY A 45 5.646 12.253 0.036 1.00 0.22 C ATOM 624 O GLY A 45 5.473 12.094 -1.170 1.00 0.21 O ATOM 0 H GLY A 45 5.604 12.987 2.631 1.00 0.29 H new ATOM 0 HA2 GLY A 45 4.559 13.994 0.640 1.00 0.27 H new ATOM 0 HA3 GLY A 45 6.175 14.326 0.048 1.00 0.27 H new ATOM 628 N CYS A 46 5.852 11.249 0.877 1.00 0.19 N ATOM 629 CA CYS A 46 5.980 9.876 0.418 1.00 0.15 C ATOM 630 C CYS A 46 4.777 9.070 0.875 1.00 0.14 C ATOM 631 O CYS A 46 4.431 9.056 2.056 1.00 0.19 O ATOM 632 CB CYS A 46 7.272 9.245 0.954 1.00 0.14 C ATOM 633 SG CYS A 46 7.449 7.466 0.600 1.00 0.13 S ATOM 0 H CYS A 46 5.934 11.363 1.887 1.00 0.19 H new ATOM 0 HA CYS A 46 6.023 9.873 -0.671 1.00 0.15 H new ATOM 0 HB2 CYS A 46 8.124 9.774 0.527 1.00 0.14 H new ATOM 0 HB3 CYS A 46 7.313 9.394 2.033 1.00 0.14 H new ATOM 638 N THR A 47 4.122 8.427 -0.073 1.00 0.12 N ATOM 639 CA THR A 47 2.937 7.647 0.225 1.00 0.12 C ATOM 640 C THR A 47 3.276 6.174 0.276 1.00 0.12 C ATOM 641 O THR A 47 2.688 5.407 1.040 1.00 0.13 O ATOM 642 CB THR A 47 1.851 7.868 -0.833 1.00 0.13 C ATOM 643 OG1 THR A 47 2.351 7.480 -2.122 1.00 0.18 O ATOM 644 CG2 THR A 47 1.430 9.328 -0.862 1.00 0.12 C ATOM 0 H THR A 47 4.391 8.430 -1.057 1.00 0.12 H new ATOM 0 HA THR A 47 2.563 7.975 1.195 1.00 0.12 H new ATOM 0 HB THR A 47 0.982 7.260 -0.581 1.00 0.13 H new ATOM 0 HG1 THR A 47 1.633 7.057 -2.638 1.00 0.18 H new ATOM 0 HG21 THR A 47 0.658 9.469 -1.619 1.00 0.12 H new ATOM 0 HG22 THR A 47 1.038 9.613 0.114 1.00 0.12 H new ATOM 0 HG23 THR A 47 2.292 9.950 -1.103 1.00 0.12 H new ATOM 652 N HIS A 48 4.236 5.787 -0.545 1.00 0.13 N ATOM 653 CA HIS A 48 4.631 4.397 -0.635 1.00 0.14 C ATOM 654 C HIS A 48 6.072 4.312 -1.091 1.00 0.13 C ATOM 655 O HIS A 48 6.573 5.209 -1.768 1.00 0.20 O ATOM 656 CB HIS A 48 3.715 3.612 -1.596 1.00 0.15 C ATOM 657 CG HIS A 48 3.915 3.932 -3.045 1.00 0.14 C ATOM 658 ND1 HIS A 48 3.380 5.042 -3.661 1.00 0.17 N ATOM 659 CD2 HIS A 48 4.605 3.271 -4.003 1.00 0.16 C ATOM 660 CE1 HIS A 48 3.733 5.045 -4.932 1.00 0.17 C ATOM 661 NE2 HIS A 48 4.478 3.983 -5.166 1.00 0.17 N ATOM 0 H HIS A 48 4.755 6.417 -1.157 1.00 0.13 H new ATOM 0 HA HIS A 48 4.533 3.945 0.352 1.00 0.14 H new ATOM 0 HB2 HIS A 48 3.882 2.545 -1.446 1.00 0.15 H new ATOM 0 HB3 HIS A 48 2.676 3.812 -1.333 1.00 0.15 H new ATOM 0 HD1 HIS A 48 2.803 5.749 -3.206 1.00 0.17 H new ATOM 0 HD2 HIS A 48 5.155 2.351 -3.874 1.00 0.16 H new ATOM 0 HE1 HIS A 48 3.457 5.793 -5.660 1.00 0.17 H new ATOM 669 N PHE A 49 6.721 3.233 -0.733 1.00 0.13 N ATOM 670 CA PHE A 49 8.118 3.041 -1.057 1.00 0.13 C ATOM 671 C PHE A 49 8.295 1.774 -1.874 1.00 0.13 C ATOM 672 O PHE A 49 7.351 1.003 -2.062 1.00 0.18 O ATOM 673 CB PHE A 49 8.948 2.960 0.228 1.00 0.13 C ATOM 674 CG PHE A 49 8.268 2.169 1.310 1.00 0.14 C ATOM 675 CD1 PHE A 49 7.938 0.844 1.109 1.00 0.21 C ATOM 676 CD2 PHE A 49 7.943 2.758 2.518 1.00 0.18 C ATOM 677 CE1 PHE A 49 7.296 0.124 2.087 1.00 0.27 C ATOM 678 CE2 PHE A 49 7.304 2.039 3.506 1.00 0.22 C ATOM 679 CZ PHE A 49 6.979 0.720 3.290 1.00 0.25 C ATOM 0 H PHE A 49 6.301 2.464 -0.211 1.00 0.13 H new ATOM 0 HA PHE A 49 8.463 3.890 -1.647 1.00 0.13 H new ATOM 0 HB2 PHE A 49 9.913 2.506 0.004 1.00 0.13 H new ATOM 0 HB3 PHE A 49 9.147 3.968 0.591 1.00 0.13 H new ATOM 0 HD1 PHE A 49 8.187 0.368 0.172 1.00 0.21 H new ATOM 0 HD2 PHE A 49 8.193 3.795 2.690 1.00 0.18 H new ATOM 0 HE1 PHE A 49 7.039 -0.911 1.914 1.00 0.27 H new ATOM 0 HE2 PHE A 49 7.059 2.510 4.447 1.00 0.22 H new ATOM 0 HZ PHE A 49 6.477 0.153 4.060 1.00 0.25 H new ATOM 689 N THR A 50 9.493 1.575 -2.368 1.00 0.11 N ATOM 690 CA THR A 50 9.836 0.359 -3.062 1.00 0.11 C ATOM 691 C THR A 50 11.195 -0.139 -2.601 1.00 0.10 C ATOM 692 O THR A 50 12.225 0.478 -2.883 1.00 0.11 O ATOM 693 CB THR A 50 9.850 0.570 -4.588 1.00 0.14 C ATOM 694 OG1 THR A 50 8.571 1.056 -5.019 1.00 0.15 O ATOM 695 CG2 THR A 50 10.181 -0.728 -5.317 1.00 0.19 C ATOM 0 H THR A 50 10.255 2.250 -2.300 1.00 0.11 H new ATOM 0 HA THR A 50 9.076 -0.386 -2.827 1.00 0.11 H new ATOM 0 HB THR A 50 10.621 1.302 -4.827 1.00 0.14 H new ATOM 0 HG1 THR A 50 8.582 1.191 -5.990 1.00 0.15 H new ATOM 0 HG21 THR A 50 10.184 -0.551 -6.392 1.00 0.19 H new ATOM 0 HG22 THR A 50 11.164 -1.080 -5.004 1.00 0.19 H new ATOM 0 HG23 THR A 50 9.432 -1.482 -5.076 1.00 0.19 H new ATOM 703 N TYR A 51 11.195 -1.238 -1.869 1.00 0.11 N ATOM 704 CA TYR A 51 12.432 -1.883 -1.503 1.00 0.13 C ATOM 705 C TYR A 51 12.847 -2.777 -2.625 1.00 0.18 C ATOM 706 O TYR A 51 12.024 -3.451 -3.239 1.00 0.41 O ATOM 707 CB TYR A 51 12.317 -2.783 -0.272 1.00 0.20 C ATOM 708 CG TYR A 51 11.339 -2.385 0.806 1.00 0.11 C ATOM 709 CD1 TYR A 51 11.557 -1.281 1.593 1.00 0.23 C ATOM 710 CD2 TYR A 51 10.238 -3.186 1.087 1.00 0.09 C ATOM 711 CE1 TYR A 51 10.710 -0.979 2.639 1.00 0.33 C ATOM 712 CE2 TYR A 51 9.377 -2.883 2.116 1.00 0.18 C ATOM 713 CZ TYR A 51 9.626 -1.781 2.892 1.00 0.31 C ATOM 714 OH TYR A 51 8.811 -1.495 3.945 1.00 0.46 O ATOM 0 H TYR A 51 10.354 -1.697 -1.520 1.00 0.11 H new ATOM 0 HA TYR A 51 13.140 -1.083 -1.287 1.00 0.13 H new ATOM 0 HB2 TYR A 51 12.050 -3.783 -0.613 1.00 0.20 H new ATOM 0 HB3 TYR A 51 13.305 -2.855 0.183 1.00 0.20 H new ATOM 0 HD1 TYR A 51 12.403 -0.641 1.390 1.00 0.23 H new ATOM 0 HD2 TYR A 51 10.055 -4.064 0.485 1.00 0.09 H new ATOM 0 HE1 TYR A 51 10.900 -0.114 3.257 1.00 0.33 H new ATOM 0 HE2 TYR A 51 8.516 -3.505 2.310 1.00 0.18 H new ATOM 0 HH TYR A 51 7.983 -1.087 3.616 1.00 0.46 H new ATOM 724 N ASN A 52 14.113 -2.792 -2.893 1.00 0.10 N ATOM 725 CA ASN A 52 14.644 -3.797 -3.750 1.00 0.12 C ATOM 726 C ASN A 52 15.357 -4.809 -2.879 1.00 0.13 C ATOM 727 O ASN A 52 16.303 -4.471 -2.194 1.00 0.17 O ATOM 728 CB ASN A 52 15.584 -3.176 -4.762 1.00 0.14 C ATOM 729 CG ASN A 52 15.770 -4.081 -5.964 1.00 0.15 C ATOM 730 OD1 ASN A 52 16.685 -4.891 -5.999 1.00 0.17 O ATOM 731 ND2 ASN A 52 14.873 -3.978 -6.936 1.00 0.16 N ATOM 0 H ASN A 52 14.794 -2.123 -2.532 1.00 0.10 H new ATOM 0 HA ASN A 52 13.851 -4.291 -4.312 1.00 0.12 H new ATOM 0 HB2 ASN A 52 15.189 -2.213 -5.086 1.00 0.14 H new ATOM 0 HB3 ASN A 52 16.550 -2.984 -4.295 1.00 0.14 H new ATOM 0 HD21 ASN A 52 14.932 -4.588 -7.751 1.00 0.16 H new ATOM 0 HD22 ASN A 52 14.124 -3.288 -6.868 1.00 0.16 H new ATOM 738 N ASP A 53 14.844 -6.020 -2.821 1.00 0.12 N ATOM 739 CA ASP A 53 15.426 -7.065 -1.995 1.00 0.14 C ATOM 740 C ASP A 53 16.700 -7.610 -2.642 1.00 0.17 C ATOM 741 O ASP A 53 17.542 -8.213 -1.982 1.00 0.23 O ATOM 742 CB ASP A 53 14.380 -8.165 -1.763 1.00 0.14 C ATOM 743 CG ASP A 53 14.851 -9.258 -0.829 1.00 0.25 C ATOM 744 OD1 ASP A 53 14.736 -9.093 0.404 1.00 0.36 O ATOM 745 OD2 ASP A 53 15.371 -10.277 -1.335 1.00 0.30 O ATOM 0 H ASP A 53 14.016 -6.310 -3.341 1.00 0.12 H new ATOM 0 HA ASP A 53 15.713 -6.657 -1.026 1.00 0.14 H new ATOM 0 HB2 ASP A 53 13.475 -7.715 -1.355 1.00 0.14 H new ATOM 0 HB3 ASP A 53 14.111 -8.608 -2.722 1.00 0.14 H new ATOM 750 N ASP A 54 16.848 -7.336 -3.934 1.00 0.18 N ATOM 751 CA ASP A 54 18.024 -7.759 -4.691 1.00 0.22 C ATOM 752 C ASP A 54 19.171 -6.750 -4.527 1.00 0.25 C ATOM 753 O ASP A 54 20.328 -7.129 -4.358 1.00 0.37 O ATOM 754 CB ASP A 54 17.651 -7.920 -6.173 1.00 0.23 C ATOM 755 CG ASP A 54 18.794 -8.433 -7.025 1.00 0.31 C ATOM 756 OD1 ASP A 54 19.456 -7.611 -7.693 1.00 0.46 O ATOM 757 OD2 ASP A 54 19.054 -9.655 -7.008 1.00 0.31 O ATOM 0 H ASP A 54 16.162 -6.818 -4.484 1.00 0.18 H new ATOM 0 HA ASP A 54 18.367 -8.718 -4.304 1.00 0.22 H new ATOM 0 HB2 ASP A 54 16.808 -8.606 -6.256 1.00 0.23 H new ATOM 0 HB3 ASP A 54 17.319 -6.958 -6.564 1.00 0.23 H new ATOM 762 N SER A 55 18.831 -5.464 -4.556 1.00 0.17 N ATOM 763 CA SER A 55 19.810 -4.388 -4.441 1.00 0.19 C ATOM 764 C SER A 55 19.786 -3.762 -3.054 1.00 0.19 C ATOM 765 O SER A 55 20.531 -2.824 -2.766 1.00 0.24 O ATOM 766 CB SER A 55 19.515 -3.327 -5.491 1.00 0.21 C ATOM 767 OG SER A 55 19.746 -3.820 -6.798 1.00 0.28 O ATOM 0 H SER A 55 17.870 -5.139 -4.660 1.00 0.17 H new ATOM 0 HA SER A 55 20.803 -4.807 -4.602 1.00 0.19 H new ATOM 0 HB2 SER A 55 18.479 -3.001 -5.401 1.00 0.21 H new ATOM 0 HB3 SER A 55 20.141 -2.453 -5.314 1.00 0.21 H new ATOM 0 HG SER A 55 19.547 -3.118 -7.452 1.00 0.28 H new ATOM 773 N LYS A 56 18.928 -4.312 -2.202 1.00 0.16 N ATOM 774 CA LYS A 56 18.679 -3.797 -0.863 1.00 0.16 C ATOM 775 C LYS A 56 18.480 -2.283 -0.840 1.00 0.14 C ATOM 776 O LYS A 56 18.749 -1.637 0.168 1.00 0.17 O ATOM 777 CB LYS A 56 19.821 -4.209 0.047 1.00 0.21 C ATOM 778 CG LYS A 56 20.054 -5.706 0.064 1.00 0.29 C ATOM 779 CD LYS A 56 21.445 -6.043 0.548 1.00 0.50 C ATOM 780 CE LYS A 56 21.629 -5.693 2.016 1.00 1.20 C ATOM 781 NZ LYS A 56 23.024 -5.921 2.482 1.00 1.31 N ATOM 0 H LYS A 56 18.378 -5.141 -2.427 1.00 0.16 H new ATOM 0 HA LYS A 56 17.745 -4.228 -0.504 1.00 0.16 H new ATOM 0 HB2 LYS A 56 20.734 -3.708 -0.276 1.00 0.21 H new ATOM 0 HB3 LYS A 56 19.612 -3.868 1.061 1.00 0.21 H new ATOM 0 HG2 LYS A 56 19.317 -6.183 0.710 1.00 0.29 H new ATOM 0 HG3 LYS A 56 19.908 -6.110 -0.938 1.00 0.29 H new ATOM 0 HD2 LYS A 56 21.634 -7.106 0.401 1.00 0.50 H new ATOM 0 HD3 LYS A 56 22.179 -5.503 -0.050 1.00 0.50 H new ATOM 0 HE2 LYS A 56 21.362 -4.648 2.174 1.00 1.20 H new ATOM 0 HE3 LYS A 56 20.945 -6.291 2.618 1.00 1.20 H new ATOM 0 HZ1 LYS A 56 23.010 -6.467 3.367 1.00 1.31 H new ATOM 0 HZ2 LYS A 56 23.550 -6.450 1.757 1.00 1.31 H new ATOM 0 HZ3 LYS A 56 23.489 -5.005 2.648 1.00 1.31 H new ATOM 795 N MET A 57 17.966 -1.729 -1.931 1.00 0.12 N ATOM 796 CA MET A 57 17.854 -0.285 -2.060 1.00 0.13 C ATOM 797 C MET A 57 16.433 0.168 -1.758 1.00 0.13 C ATOM 798 O MET A 57 15.479 -0.598 -1.914 1.00 0.22 O ATOM 799 CB MET A 57 18.271 0.152 -3.462 1.00 0.13 C ATOM 800 CG MET A 57 17.179 0.056 -4.504 1.00 0.14 C ATOM 801 SD MET A 57 17.779 0.416 -6.166 1.00 0.24 S ATOM 802 CE MET A 57 18.735 1.905 -5.876 1.00 1.62 C ATOM 0 H MET A 57 17.622 -2.256 -2.734 1.00 0.12 H new ATOM 0 HA MET A 57 18.522 0.183 -1.337 1.00 0.13 H new ATOM 0 HB2 MET A 57 18.622 1.183 -3.417 1.00 0.13 H new ATOM 0 HB3 MET A 57 19.115 -0.459 -3.782 1.00 0.13 H new ATOM 0 HG2 MET A 57 16.750 -0.946 -4.485 1.00 0.14 H new ATOM 0 HG3 MET A 57 16.378 0.751 -4.252 1.00 0.14 H new ATOM 0 HE1 MET A 57 19.005 2.356 -6.831 1.00 1.62 H new ATOM 0 HE2 MET A 57 18.141 2.612 -5.296 1.00 1.62 H new ATOM 0 HE3 MET A 57 19.641 1.654 -5.324 1.00 1.62 H new ATOM 812 N CYS A 58 16.305 1.404 -1.313 1.00 0.08 N ATOM 813 CA CYS A 58 15.019 1.965 -0.952 1.00 0.07 C ATOM 814 C CYS A 58 14.613 3.085 -1.896 1.00 0.07 C ATOM 815 O CYS A 58 15.231 4.142 -1.907 1.00 0.09 O ATOM 816 CB CYS A 58 15.064 2.513 0.467 1.00 0.08 C ATOM 817 SG CYS A 58 13.526 3.343 0.963 1.00 0.08 S ATOM 0 H CYS A 58 17.089 2.045 -1.192 1.00 0.08 H new ATOM 0 HA CYS A 58 14.284 1.163 -1.022 1.00 0.07 H new ATOM 0 HB2 CYS A 58 15.268 1.696 1.159 1.00 0.08 H new ATOM 0 HB3 CYS A 58 15.892 3.216 0.552 1.00 0.08 H new ATOM 822 N HIS A 59 13.579 2.854 -2.679 1.00 0.08 N ATOM 823 CA HIS A 59 13.045 3.888 -3.555 1.00 0.08 C ATOM 824 C HIS A 59 11.747 4.457 -2.984 1.00 0.08 C ATOM 825 O HIS A 59 10.678 3.889 -3.189 1.00 0.09 O ATOM 826 CB HIS A 59 12.783 3.329 -4.959 1.00 0.10 C ATOM 827 CG HIS A 59 13.943 3.436 -5.907 1.00 0.12 C ATOM 828 ND1 HIS A 59 14.020 4.387 -6.900 1.00 0.16 N ATOM 829 CD2 HIS A 59 15.059 2.683 -6.033 1.00 0.14 C ATOM 830 CE1 HIS A 59 15.129 4.214 -7.592 1.00 0.18 C ATOM 831 NE2 HIS A 59 15.779 3.185 -7.089 1.00 0.17 N ATOM 0 H HIS A 59 13.089 1.961 -2.730 1.00 0.08 H new ATOM 0 HA HIS A 59 13.786 4.684 -3.623 1.00 0.08 H new ATOM 0 HB2 HIS A 59 12.500 2.280 -4.870 1.00 0.10 H new ATOM 0 HB3 HIS A 59 11.930 3.853 -5.390 1.00 0.10 H new ATOM 0 HD2 HIS A 59 15.334 1.840 -5.416 1.00 0.14 H new ATOM 0 HE1 HIS A 59 15.450 4.815 -8.430 1.00 0.18 H new ATOM 0 HE2 HIS A 59 16.670 2.821 -7.428 1.00 0.17 H new ATOM 839 N VAL A 60 11.844 5.569 -2.265 1.00 0.07 N ATOM 840 CA VAL A 60 10.659 6.270 -1.778 1.00 0.07 C ATOM 841 C VAL A 60 9.951 6.935 -2.941 1.00 0.08 C ATOM 842 O VAL A 60 10.595 7.533 -3.801 1.00 0.09 O ATOM 843 CB VAL A 60 10.994 7.338 -0.711 1.00 0.07 C ATOM 844 CG1 VAL A 60 11.029 6.720 0.678 1.00 0.08 C ATOM 845 CG2 VAL A 60 12.320 8.017 -1.021 1.00 0.09 C ATOM 0 H VAL A 60 12.729 6.005 -2.006 1.00 0.07 H new ATOM 0 HA VAL A 60 10.017 5.526 -1.307 1.00 0.07 H new ATOM 0 HB VAL A 60 10.208 8.093 -0.734 1.00 0.07 H new ATOM 0 HG11 VAL A 60 11.266 7.489 1.413 1.00 0.08 H new ATOM 0 HG12 VAL A 60 10.056 6.287 0.908 1.00 0.08 H new ATOM 0 HG13 VAL A 60 11.790 5.940 0.710 1.00 0.08 H new ATOM 0 HG21 VAL A 60 12.534 8.764 -0.257 1.00 0.09 H new ATOM 0 HG22 VAL A 60 13.116 7.272 -1.033 1.00 0.09 H new ATOM 0 HG23 VAL A 60 12.261 8.502 -1.996 1.00 0.09 H new ATOM 855 N LYS A 61 8.637 6.821 -2.988 1.00 0.09 N ATOM 856 CA LYS A 61 7.896 7.333 -4.124 1.00 0.11 C ATOM 857 C LYS A 61 6.668 8.122 -3.704 1.00 0.11 C ATOM 858 O LYS A 61 6.259 8.119 -2.539 1.00 0.11 O ATOM 859 CB LYS A 61 7.505 6.192 -5.062 1.00 0.14 C ATOM 860 CG LYS A 61 8.697 5.555 -5.758 1.00 0.13 C ATOM 861 CD LYS A 61 8.275 4.408 -6.658 1.00 0.22 C ATOM 862 CE LYS A 61 9.465 3.783 -7.374 1.00 0.20 C ATOM 863 NZ LYS A 61 10.103 4.718 -8.341 1.00 1.22 N ATOM 0 H LYS A 61 8.067 6.384 -2.263 1.00 0.09 H new ATOM 0 HA LYS A 61 8.553 8.022 -4.654 1.00 0.11 H new ATOM 0 HB2 LYS A 61 6.974 5.429 -4.494 1.00 0.14 H new ATOM 0 HB3 LYS A 61 6.812 6.569 -5.814 1.00 0.14 H new ATOM 0 HG2 LYS A 61 9.219 6.308 -6.349 1.00 0.13 H new ATOM 0 HG3 LYS A 61 9.403 5.191 -5.011 1.00 0.13 H new ATOM 0 HD2 LYS A 61 7.768 3.648 -6.064 1.00 0.22 H new ATOM 0 HD3 LYS A 61 7.557 4.769 -7.394 1.00 0.22 H new ATOM 0 HE2 LYS A 61 10.204 3.467 -6.637 1.00 0.20 H new ATOM 0 HE3 LYS A 61 9.138 2.887 -7.901 1.00 0.20 H new ATOM 0 HZ1 LYS A 61 10.401 4.192 -9.187 1.00 1.22 H new ATOM 0 HZ2 LYS A 61 9.421 5.455 -8.613 1.00 1.22 H new ATOM 0 HZ3 LYS A 61 10.933 5.161 -7.899 1.00 1.22 H new ATOM 877 N GLU A 62 6.073 8.777 -4.685 1.00 0.10 N ATOM 878 CA GLU A 62 4.976 9.701 -4.448 1.00 0.11 C ATOM 879 C GLU A 62 3.628 9.029 -4.663 1.00 0.12 C ATOM 880 O GLU A 62 3.565 7.888 -5.108 1.00 0.12 O ATOM 881 CB GLU A 62 5.085 10.950 -5.325 1.00 0.12 C ATOM 882 CG GLU A 62 6.469 11.581 -5.319 1.00 0.12 C ATOM 883 CD GLU A 62 6.462 13.022 -5.784 1.00 0.17 C ATOM 884 OE1 GLU A 62 6.801 13.282 -6.953 1.00 0.39 O ATOM 885 OE2 GLU A 62 6.119 13.910 -4.977 1.00 0.40 O ATOM 0 H GLU A 62 6.335 8.684 -5.666 1.00 0.10 H new ATOM 0 HA GLU A 62 5.047 10.011 -3.405 1.00 0.11 H new ATOM 0 HB2 GLU A 62 4.819 10.689 -6.349 1.00 0.12 H new ATOM 0 HB3 GLU A 62 4.358 11.687 -4.985 1.00 0.12 H new ATOM 0 HG2 GLU A 62 6.881 11.532 -4.311 1.00 0.12 H new ATOM 0 HG3 GLU A 62 7.130 11.000 -5.962 1.00 0.12 H new ATOM 892 N GLY A 63 2.577 9.751 -4.303 1.00 0.13 N ATOM 893 CA GLY A 63 1.222 9.217 -4.186 1.00 0.13 C ATOM 894 C GLY A 63 0.783 8.194 -5.220 1.00 0.14 C ATOM 895 O GLY A 63 1.151 8.253 -6.392 1.00 0.18 O ATOM 0 H GLY A 63 2.640 10.744 -4.079 1.00 0.13 H new ATOM 0 HA2 GLY A 63 1.122 8.763 -3.200 1.00 0.13 H new ATOM 0 HA3 GLY A 63 0.525 10.054 -4.224 1.00 0.13 H new ATOM 899 N LYS A 64 -0.043 7.267 -4.729 1.00 0.16 N ATOM 900 CA LYS A 64 -0.621 6.172 -5.503 1.00 0.16 C ATOM 901 C LYS A 64 0.414 5.201 -6.061 1.00 0.15 C ATOM 902 O LYS A 64 1.280 5.562 -6.858 1.00 0.17 O ATOM 903 CB LYS A 64 -1.529 6.689 -6.607 1.00 0.19 C ATOM 904 CG LYS A 64 -2.829 7.264 -6.074 1.00 0.30 C ATOM 905 CD LYS A 64 -3.529 8.139 -7.091 1.00 0.73 C ATOM 906 CE LYS A 64 -2.958 9.543 -7.091 1.00 0.54 C ATOM 907 NZ LYS A 64 -3.668 10.423 -8.055 1.00 1.10 N ATOM 0 H LYS A 64 -0.335 7.260 -3.752 1.00 0.16 H new ATOM 0 HA LYS A 64 -1.222 5.601 -4.795 1.00 0.16 H new ATOM 0 HB2 LYS A 64 -1.003 7.456 -7.175 1.00 0.19 H new ATOM 0 HB3 LYS A 64 -1.752 5.877 -7.299 1.00 0.19 H new ATOM 0 HG2 LYS A 64 -3.491 6.449 -5.782 1.00 0.30 H new ATOM 0 HG3 LYS A 64 -2.625 7.847 -5.176 1.00 0.30 H new ATOM 0 HD2 LYS A 64 -3.425 7.701 -8.084 1.00 0.73 H new ATOM 0 HD3 LYS A 64 -4.596 8.177 -6.869 1.00 0.73 H new ATOM 0 HE2 LYS A 64 -3.031 9.966 -6.089 1.00 0.54 H new ATOM 0 HE3 LYS A 64 -1.898 9.505 -7.344 1.00 0.54 H new ATOM 0 HZ1 LYS A 64 -3.475 11.418 -7.823 1.00 1.10 H new ATOM 0 HZ2 LYS A 64 -3.335 10.221 -9.019 1.00 1.10 H new ATOM 0 HZ3 LYS A 64 -4.691 10.246 -7.998 1.00 1.10 H new ATOM 921 N PRO A 65 0.325 3.937 -5.626 1.00 0.17 N ATOM 922 CA PRO A 65 1.151 2.852 -6.140 1.00 0.19 C ATOM 923 C PRO A 65 0.759 2.476 -7.557 1.00 0.22 C ATOM 924 O PRO A 65 -0.403 2.581 -7.951 1.00 0.52 O ATOM 925 CB PRO A 65 0.883 1.681 -5.183 1.00 0.32 C ATOM 926 CG PRO A 65 0.112 2.262 -4.048 1.00 0.35 C ATOM 927 CD PRO A 65 -0.598 3.457 -4.603 1.00 0.19 C ATOM 0 HA PRO A 65 2.204 3.132 -6.184 1.00 0.19 H new ATOM 0 HB2 PRO A 65 0.318 0.891 -5.678 1.00 0.32 H new ATOM 0 HB3 PRO A 65 1.816 1.236 -4.837 1.00 0.32 H new ATOM 0 HG2 PRO A 65 -0.597 1.538 -3.646 1.00 0.35 H new ATOM 0 HG3 PRO A 65 0.775 2.546 -3.231 1.00 0.35 H new ATOM 0 HD2 PRO A 65 -1.567 3.191 -5.025 1.00 0.19 H new ATOM 0 HD3 PRO A 65 -0.780 4.211 -3.837 1.00 0.19 H new ATOM 935 N ASP A 66 1.745 2.054 -8.312 1.00 0.22 N ATOM 936 CA ASP A 66 1.554 1.645 -9.688 1.00 0.21 C ATOM 937 C ASP A 66 2.294 0.336 -9.891 1.00 0.20 C ATOM 938 O ASP A 66 3.362 0.293 -10.500 1.00 0.19 O ATOM 939 CB ASP A 66 2.085 2.731 -10.620 1.00 0.21 C ATOM 940 CG ASP A 66 1.689 2.532 -12.071 1.00 0.25 C ATOM 941 OD1 ASP A 66 0.613 3.027 -12.463 1.00 0.40 O ATOM 942 OD2 ASP A 66 2.457 1.911 -12.833 1.00 0.34 O ATOM 0 H ASP A 66 2.710 1.983 -7.989 1.00 0.22 H new ATOM 0 HA ASP A 66 0.497 1.502 -9.913 1.00 0.21 H new ATOM 0 HB2 ASP A 66 1.718 3.700 -10.281 1.00 0.21 H new ATOM 0 HB3 ASP A 66 3.172 2.759 -10.549 1.00 0.21 H new ATOM 947 N LEU A 67 1.733 -0.713 -9.316 1.00 0.21 N ATOM 948 CA LEU A 67 2.392 -1.999 -9.207 1.00 0.20 C ATOM 949 C LEU A 67 2.773 -2.602 -10.548 1.00 0.22 C ATOM 950 O LEU A 67 2.032 -2.516 -11.530 1.00 0.27 O ATOM 951 CB LEU A 67 1.502 -2.950 -8.422 1.00 0.23 C ATOM 952 CG LEU A 67 1.307 -2.538 -6.964 1.00 0.26 C ATOM 953 CD1 LEU A 67 0.324 -3.452 -6.261 1.00 0.31 C ATOM 954 CD2 LEU A 67 2.645 -2.545 -6.254 1.00 0.28 C ATOM 0 H LEU A 67 0.798 -0.694 -8.908 1.00 0.21 H new ATOM 0 HA LEU A 67 3.333 -1.838 -8.680 1.00 0.20 H new ATOM 0 HB2 LEU A 67 0.528 -3.008 -8.908 1.00 0.23 H new ATOM 0 HB3 LEU A 67 1.935 -3.950 -8.454 1.00 0.23 H new ATOM 0 HG LEU A 67 0.891 -1.531 -6.939 1.00 0.26 H new ATOM 0 HD11 LEU A 67 0.207 -3.133 -5.225 1.00 0.31 H new ATOM 0 HD12 LEU A 67 -0.641 -3.406 -6.766 1.00 0.31 H new ATOM 0 HD13 LEU A 67 0.698 -4.476 -6.285 1.00 0.31 H new ATOM 0 HD21 LEU A 67 2.506 -2.251 -5.214 1.00 0.28 H new ATOM 0 HD22 LEU A 67 3.073 -3.547 -6.294 1.00 0.28 H new ATOM 0 HD23 LEU A 67 3.320 -1.842 -6.743 1.00 0.28 H new ATOM 966 N TYR A 68 3.958 -3.192 -10.561 1.00 0.19 N ATOM 967 CA TYR A 68 4.479 -3.906 -11.712 1.00 0.21 C ATOM 968 C TYR A 68 5.382 -5.026 -11.225 1.00 0.22 C ATOM 969 O TYR A 68 5.877 -4.982 -10.095 1.00 0.21 O ATOM 970 CB TYR A 68 5.263 -2.966 -12.637 1.00 0.22 C ATOM 971 CG TYR A 68 6.551 -2.424 -12.047 1.00 0.21 C ATOM 972 CD1 TYR A 68 6.569 -1.217 -11.363 1.00 0.22 C ATOM 973 CD2 TYR A 68 7.741 -3.123 -12.164 1.00 0.25 C ATOM 974 CE1 TYR A 68 7.734 -0.722 -10.813 1.00 0.24 C ATOM 975 CE2 TYR A 68 8.914 -2.635 -11.616 1.00 0.28 C ATOM 976 CZ TYR A 68 8.924 -1.423 -10.991 1.00 0.27 C ATOM 977 OH TYR A 68 10.070 -0.942 -10.393 1.00 0.33 O ATOM 0 H TYR A 68 4.591 -3.187 -9.762 1.00 0.19 H new ATOM 0 HA TYR A 68 3.646 -4.316 -12.282 1.00 0.21 H new ATOM 0 HB2 TYR A 68 5.497 -3.498 -13.559 1.00 0.22 H new ATOM 0 HB3 TYR A 68 4.622 -2.127 -12.907 1.00 0.22 H new ATOM 0 HD1 TYR A 68 5.653 -0.654 -11.259 1.00 0.22 H new ATOM 0 HD2 TYR A 68 7.754 -4.065 -12.692 1.00 0.25 H new ATOM 0 HE1 TYR A 68 7.723 0.200 -10.250 1.00 0.24 H new ATOM 0 HE2 TYR A 68 9.823 -3.215 -11.683 1.00 0.28 H new ATOM 0 HH TYR A 68 10.822 -1.534 -10.603 1.00 0.33 H new ATOM 987 N ASP A 69 5.598 -6.023 -12.068 1.00 0.28 N ATOM 988 CA ASP A 69 6.443 -7.154 -11.706 1.00 0.31 C ATOM 989 C ASP A 69 7.890 -6.713 -11.555 1.00 0.25 C ATOM 990 O ASP A 69 8.526 -6.269 -12.512 1.00 0.31 O ATOM 991 CB ASP A 69 6.330 -8.277 -12.738 1.00 0.44 C ATOM 992 CG ASP A 69 4.952 -8.903 -12.756 1.00 1.40 C ATOM 993 OD1 ASP A 69 4.248 -8.776 -13.778 1.00 2.32 O ATOM 994 OD2 ASP A 69 4.563 -9.529 -11.747 1.00 1.40 O ATOM 0 H ASP A 69 5.202 -6.074 -13.006 1.00 0.28 H new ATOM 0 HA ASP A 69 6.096 -7.540 -10.747 1.00 0.31 H new ATOM 0 HB2 ASP A 69 6.561 -7.883 -13.728 1.00 0.44 H new ATOM 0 HB3 ASP A 69 7.073 -9.044 -12.520 1.00 0.44 H new ATOM 999 N LEU A 70 8.388 -6.822 -10.336 1.00 0.21 N ATOM 1000 CA LEU A 70 9.738 -6.403 -10.005 1.00 0.18 C ATOM 1001 C LEU A 70 10.459 -7.533 -9.288 1.00 0.17 C ATOM 1002 O LEU A 70 10.119 -7.867 -8.162 1.00 0.17 O ATOM 1003 CB LEU A 70 9.690 -5.144 -9.122 1.00 0.15 C ATOM 1004 CG LEU A 70 11.038 -4.648 -8.595 1.00 0.16 C ATOM 1005 CD1 LEU A 70 12.054 -4.534 -9.721 1.00 0.21 C ATOM 1006 CD2 LEU A 70 10.872 -3.305 -7.902 1.00 0.17 C ATOM 0 H LEU A 70 7.867 -7.204 -9.547 1.00 0.21 H new ATOM 0 HA LEU A 70 10.282 -6.164 -10.919 1.00 0.18 H new ATOM 0 HB2 LEU A 70 9.227 -4.340 -9.694 1.00 0.15 H new ATOM 0 HB3 LEU A 70 9.040 -5.345 -8.270 1.00 0.15 H new ATOM 0 HG LEU A 70 11.408 -5.376 -7.873 1.00 0.16 H new ATOM 0 HD11 LEU A 70 13.003 -4.179 -9.320 1.00 0.21 H new ATOM 0 HD12 LEU A 70 12.197 -5.511 -10.182 1.00 0.21 H new ATOM 0 HD13 LEU A 70 11.691 -3.829 -10.469 1.00 0.21 H new ATOM 0 HD21 LEU A 70 11.839 -2.964 -7.532 1.00 0.17 H new ATOM 0 HD22 LEU A 70 10.477 -2.576 -8.610 1.00 0.17 H new ATOM 0 HD23 LEU A 70 10.180 -3.410 -7.066 1.00 0.17 H new ATOM 1018 N THR A 71 11.438 -8.134 -9.947 1.00 0.26 N ATOM 1019 CA THR A 71 12.174 -9.246 -9.362 1.00 0.29 C ATOM 1020 C THR A 71 12.927 -8.801 -8.113 1.00 0.22 C ATOM 1021 O THR A 71 13.776 -7.911 -8.171 1.00 0.26 O ATOM 1022 CB THR A 71 13.180 -9.828 -10.359 1.00 0.42 C ATOM 1023 OG1 THR A 71 12.552 -10.009 -11.638 1.00 0.48 O ATOM 1024 CG2 THR A 71 13.710 -11.157 -9.852 1.00 0.49 C ATOM 0 H THR A 71 11.741 -7.872 -10.885 1.00 0.26 H new ATOM 0 HA THR A 71 11.443 -10.011 -9.097 1.00 0.29 H new ATOM 0 HB THR A 71 14.013 -9.133 -10.465 1.00 0.42 H new ATOM 0 HG1 THR A 71 13.201 -10.380 -12.272 1.00 0.48 H new ATOM 0 HG21 THR A 71 14.424 -11.561 -10.569 1.00 0.49 H new ATOM 0 HG22 THR A 71 14.204 -11.009 -8.892 1.00 0.49 H new ATOM 0 HG23 THR A 71 12.883 -11.856 -9.731 1.00 0.49 H new ATOM 1032 N GLY A 72 12.603 -9.415 -6.983 1.00 0.17 N ATOM 1033 CA GLY A 72 13.183 -8.997 -5.723 1.00 0.12 C ATOM 1034 C GLY A 72 12.544 -7.718 -5.240 1.00 0.13 C ATOM 1035 O GLY A 72 12.947 -7.141 -4.233 1.00 0.14 O ATOM 0 H GLY A 72 11.949 -10.195 -6.917 1.00 0.17 H new ATOM 0 HA2 GLY A 72 13.049 -9.781 -4.977 1.00 0.12 H new ATOM 0 HA3 GLY A 72 14.257 -8.851 -5.842 1.00 0.12 H new ATOM 1039 N GLY A 73 11.547 -7.273 -5.977 1.00 0.15 N ATOM 1040 CA GLY A 73 10.844 -6.066 -5.631 1.00 0.16 C ATOM 1041 C GLY A 73 9.964 -6.250 -4.430 1.00 0.14 C ATOM 1042 O GLY A 73 9.191 -7.203 -4.345 1.00 0.15 O ATOM 0 H GLY A 73 11.208 -7.735 -6.821 1.00 0.15 H new ATOM 0 HA2 GLY A 73 11.564 -5.272 -5.434 1.00 0.16 H new ATOM 0 HA3 GLY A 73 10.238 -5.744 -6.478 1.00 0.16 H new ATOM 1046 N LYS A 74 10.087 -5.345 -3.498 1.00 0.15 N ATOM 1047 CA LYS A 74 9.237 -5.341 -2.330 1.00 0.13 C ATOM 1048 C LYS A 74 8.689 -3.938 -2.120 1.00 0.12 C ATOM 1049 O LYS A 74 9.367 -3.062 -1.614 1.00 0.12 O ATOM 1050 CB LYS A 74 10.014 -5.837 -1.097 1.00 0.13 C ATOM 1051 CG LYS A 74 10.321 -7.329 -1.128 1.00 0.18 C ATOM 1052 CD LYS A 74 11.113 -7.792 0.086 1.00 0.22 C ATOM 1053 CE LYS A 74 11.272 -9.307 0.076 1.00 0.33 C ATOM 1054 NZ LYS A 74 12.128 -9.800 1.186 1.00 0.38 N ATOM 0 H LYS A 74 10.774 -4.592 -3.522 1.00 0.15 H new ATOM 0 HA LYS A 74 8.400 -6.023 -2.479 1.00 0.13 H new ATOM 0 HB2 LYS A 74 10.950 -5.284 -1.021 1.00 0.13 H new ATOM 0 HB3 LYS A 74 9.437 -5.612 -0.200 1.00 0.13 H new ATOM 0 HG2 LYS A 74 9.386 -7.887 -1.181 1.00 0.18 H new ATOM 0 HG3 LYS A 74 10.882 -7.561 -2.033 1.00 0.18 H new ATOM 0 HD2 LYS A 74 12.094 -7.318 0.089 1.00 0.22 H new ATOM 0 HD3 LYS A 74 10.605 -7.480 0.999 1.00 0.22 H new ATOM 0 HE2 LYS A 74 10.289 -9.772 0.147 1.00 0.33 H new ATOM 0 HE3 LYS A 74 11.704 -9.617 -0.876 1.00 0.33 H new ATOM 0 HZ1 LYS A 74 12.094 -10.839 1.215 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 13.109 -9.490 1.032 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 11.781 -9.417 2.088 1.00 0.38 H new ATOM 1068 N THR A 75 7.463 -3.732 -2.540 1.00 0.14 N ATOM 1069 CA THR A 75 6.810 -2.441 -2.401 1.00 0.15 C ATOM 1070 C THR A 75 5.747 -2.510 -1.313 1.00 0.16 C ATOM 1071 O THR A 75 5.262 -3.593 -0.998 1.00 0.22 O ATOM 1072 CB THR A 75 6.198 -1.994 -3.759 1.00 0.19 C ATOM 1073 OG1 THR A 75 7.233 -1.509 -4.611 1.00 0.26 O ATOM 1074 CG2 THR A 75 5.123 -0.922 -3.595 1.00 0.23 C ATOM 0 H THR A 75 6.888 -4.447 -2.986 1.00 0.14 H new ATOM 0 HA THR A 75 7.550 -1.696 -2.108 1.00 0.15 H new ATOM 0 HB THR A 75 5.718 -2.867 -4.202 1.00 0.19 H new ATOM 0 HG1 THR A 75 7.389 -0.559 -4.428 1.00 0.26 H new ATOM 0 HG21 THR A 75 4.731 -0.647 -4.574 1.00 0.23 H new ATOM 0 HG22 THR A 75 4.314 -1.310 -2.976 1.00 0.23 H new ATOM 0 HG23 THR A 75 5.556 -0.043 -3.118 1.00 0.23 H new ATOM 1082 N ALA A 76 5.442 -1.368 -0.708 1.00 0.14 N ATOM 1083 CA ALA A 76 4.348 -1.266 0.241 1.00 0.13 C ATOM 1084 C ALA A 76 4.035 0.195 0.527 1.00 0.13 C ATOM 1085 O ALA A 76 4.696 1.096 0.003 1.00 0.15 O ATOM 1086 CB ALA A 76 4.670 -2.001 1.533 1.00 0.14 C ATOM 0 H ALA A 76 5.944 -0.494 -0.862 1.00 0.14 H new ATOM 0 HA ALA A 76 3.470 -1.736 -0.203 1.00 0.13 H new ATOM 0 HB1 ALA A 76 3.832 -1.907 2.224 1.00 0.14 H new ATOM 0 HB2 ALA A 76 4.846 -3.055 1.318 1.00 0.14 H new ATOM 0 HB3 ALA A 76 5.563 -1.569 1.985 1.00 0.14 H new ATOM 1092 N SER A 77 3.029 0.416 1.349 1.00 0.14 N ATOM 1093 CA SER A 77 2.648 1.755 1.766 1.00 0.13 C ATOM 1094 C SER A 77 3.565 2.240 2.875 1.00 0.15 C ATOM 1095 O SER A 77 4.200 1.438 3.553 1.00 0.18 O ATOM 1096 CB SER A 77 1.207 1.743 2.267 1.00 0.15 C ATOM 1097 OG SER A 77 0.775 3.032 2.676 1.00 0.27 O ATOM 0 H SER A 77 2.452 -0.325 1.748 1.00 0.14 H new ATOM 0 HA SER A 77 2.735 2.429 0.914 1.00 0.13 H new ATOM 0 HB2 SER A 77 0.552 1.375 1.478 1.00 0.15 H new ATOM 0 HB3 SER A 77 1.120 1.049 3.103 1.00 0.15 H new ATOM 0 HG SER A 77 -0.198 3.097 2.579 1.00 0.27 H new ATOM 1103 N ARG A 78 3.607 3.552 3.074 1.00 0.15 N ATOM 1104 CA ARG A 78 4.395 4.142 4.153 1.00 0.18 C ATOM 1105 C ARG A 78 3.912 3.625 5.503 1.00 0.18 C ATOM 1106 O ARG A 78 4.644 3.637 6.492 1.00 0.21 O ATOM 1107 CB ARG A 78 4.285 5.666 4.131 1.00 0.18 C ATOM 1108 CG ARG A 78 2.871 6.174 4.355 1.00 0.14 C ATOM 1109 CD ARG A 78 2.845 7.669 4.623 1.00 0.19 C ATOM 1110 NE ARG A 78 3.711 8.039 5.748 1.00 0.21 N ATOM 1111 CZ ARG A 78 4.535 9.089 5.760 1.00 0.40 C ATOM 1112 NH1 ARG A 78 4.746 9.797 4.660 1.00 0.60 N ATOM 1113 NH2 ARG A 78 5.183 9.402 6.875 1.00 0.43 N ATOM 0 H ARG A 78 3.104 4.230 2.502 1.00 0.15 H new ATOM 0 HA ARG A 78 5.436 3.857 4.004 1.00 0.18 H new ATOM 0 HB2 ARG A 78 4.938 6.081 4.899 1.00 0.18 H new ATOM 0 HB3 ARG A 78 4.648 6.035 3.172 1.00 0.18 H new ATOM 0 HG2 ARG A 78 2.262 5.951 3.479 1.00 0.14 H new ATOM 0 HG3 ARG A 78 2.424 5.646 5.197 1.00 0.14 H new ATOM 0 HD2 ARG A 78 3.164 8.204 3.728 1.00 0.19 H new ATOM 0 HD3 ARG A 78 1.822 7.982 4.834 1.00 0.19 H new ATOM 0 HE ARG A 78 3.681 7.451 6.581 1.00 0.21 H new ATOM 0 HH11 ARG A 78 4.276 9.542 3.791 1.00 0.60 H new ATOM 0 HH12 ARG A 78 5.378 10.597 4.682 1.00 0.60 H new ATOM 0 HH21 ARG A 78 5.050 8.841 7.717 1.00 0.43 H new ATOM 0 HH22 ARG A 78 5.814 10.203 6.890 1.00 0.43 H new ATOM 1127 N SER A 79 2.668 3.183 5.525 1.00 0.17 N ATOM 1128 CA SER A 79 2.056 2.666 6.727 1.00 0.20 C ATOM 1129 C SER A 79 1.523 1.264 6.487 1.00 0.20 C ATOM 1130 O SER A 79 0.883 1.001 5.469 1.00 0.31 O ATOM 1131 CB SER A 79 0.923 3.593 7.170 1.00 0.22 C ATOM 1132 OG SER A 79 0.193 3.043 8.250 1.00 1.00 O ATOM 0 H SER A 79 2.057 3.174 4.708 1.00 0.17 H new ATOM 0 HA SER A 79 2.808 2.620 7.515 1.00 0.20 H new ATOM 0 HB2 SER A 79 1.335 4.559 7.463 1.00 0.22 H new ATOM 0 HB3 SER A 79 0.251 3.775 6.331 1.00 0.22 H new ATOM 0 HG SER A 79 0.024 3.739 8.919 1.00 1.00 H new ATOM 1138 N CYS A 80 1.798 0.366 7.415 1.00 0.15 N ATOM 1139 CA CYS A 80 1.252 -0.978 7.354 1.00 0.16 C ATOM 1140 C CYS A 80 0.210 -1.139 8.448 1.00 0.18 C ATOM 1141 O CYS A 80 -0.265 -2.242 8.720 1.00 0.29 O ATOM 1142 CB CYS A 80 2.357 -2.023 7.526 1.00 0.19 C ATOM 1143 SG CYS A 80 3.907 -1.617 6.671 1.00 0.20 S ATOM 0 H CYS A 80 2.397 0.543 8.221 1.00 0.15 H new ATOM 0 HA CYS A 80 0.792 -1.131 6.378 1.00 0.16 H new ATOM 0 HB2 CYS A 80 2.563 -2.145 8.589 1.00 0.19 H new ATOM 0 HB3 CYS A 80 1.994 -2.983 7.159 1.00 0.19 H new ATOM 1148 N ASP A 81 -0.133 -0.019 9.080 1.00 0.20 N ATOM 1149 CA ASP A 81 -1.093 -0.017 10.172 1.00 0.23 C ATOM 1150 C ASP A 81 -2.502 -0.169 9.626 1.00 0.20 C ATOM 1151 O ASP A 81 -2.847 0.426 8.608 1.00 0.24 O ATOM 1152 CB ASP A 81 -0.974 1.274 10.985 1.00 0.31 C ATOM 1153 CG ASP A 81 -1.886 1.282 12.194 1.00 0.99 C ATOM 1154 OD1 ASP A 81 -2.963 1.904 12.132 1.00 1.78 O ATOM 1155 OD2 ASP A 81 -1.530 0.655 13.215 1.00 1.03 O ATOM 0 H ASP A 81 0.244 0.901 8.850 1.00 0.20 H new ATOM 0 HA ASP A 81 -0.878 -0.859 10.829 1.00 0.23 H new ATOM 0 HB2 ASP A 81 0.058 1.401 11.311 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -1.213 2.125 10.347 1.00 0.31 H new ATOM 1160 N ARG A 82 -3.309 -0.970 10.300 1.00 0.19 N ATOM 1161 CA ARG A 82 -4.642 -1.287 9.816 1.00 0.18 C ATOM 1162 C ARG A 82 -5.700 -0.843 10.817 1.00 0.18 C ATOM 1163 O ARG A 82 -6.841 -1.300 10.770 1.00 0.29 O ATOM 1164 CB ARG A 82 -4.759 -2.793 9.577 1.00 0.25 C ATOM 1165 CG ARG A 82 -3.662 -3.365 8.708 1.00 0.37 C ATOM 1166 CD ARG A 82 -3.831 -4.864 8.558 1.00 0.53 C ATOM 1167 NE ARG A 82 -3.981 -5.527 9.855 1.00 1.31 N ATOM 1168 CZ ARG A 82 -3.264 -6.579 10.251 1.00 1.74 C ATOM 1169 NH1 ARG A 82 -2.341 -7.103 9.457 1.00 1.65 N ATOM 1170 NH2 ARG A 82 -3.474 -7.109 11.449 1.00 2.65 N ATOM 0 H ARG A 82 -3.064 -1.413 11.185 1.00 0.19 H new ATOM 0 HA ARG A 82 -4.806 -0.754 8.880 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -4.750 -3.305 10.539 1.00 0.25 H new ATOM 0 HB3 ARG A 82 -5.723 -3.003 9.113 1.00 0.25 H new ATOM 0 HG2 ARG A 82 -3.683 -2.891 7.727 1.00 0.37 H new ATOM 0 HG3 ARG A 82 -2.689 -3.145 9.148 1.00 0.37 H new ATOM 0 HD2 ARG A 82 -4.705 -5.071 7.941 1.00 0.53 H new ATOM 0 HD3 ARG A 82 -2.967 -5.277 8.037 1.00 0.53 H new ATOM 0 HE ARG A 82 -4.681 -5.159 10.499 1.00 1.31 H new ATOM 0 HH11 ARG A 82 -2.174 -6.701 8.534 1.00 1.65 H new ATOM 0 HH12 ARG A 82 -1.797 -7.908 9.769 1.00 1.65 H new ATOM 0 HH21 ARG A 82 -4.183 -6.712 12.065 1.00 2.65 H new ATOM 0 HH22 ARG A 82 -2.926 -7.914 11.754 1.00 2.65 H new ATOM 1184 N SER A 83 -5.322 0.060 11.712 1.00 0.18 N ATOM 1185 CA SER A 83 -6.212 0.497 12.778 1.00 0.26 C ATOM 1186 C SER A 83 -7.431 1.235 12.226 1.00 0.23 C ATOM 1187 O SER A 83 -8.523 1.152 12.790 1.00 0.27 O ATOM 1188 CB SER A 83 -5.455 1.392 13.761 1.00 0.40 C ATOM 1189 OG SER A 83 -6.305 1.871 14.788 1.00 1.28 O ATOM 0 H SER A 83 -4.404 0.504 11.720 1.00 0.18 H new ATOM 0 HA SER A 83 -6.569 -0.391 13.300 1.00 0.26 H new ATOM 0 HB2 SER A 83 -4.629 0.833 14.202 1.00 0.40 H new ATOM 0 HB3 SER A 83 -5.019 2.235 13.225 1.00 0.40 H new ATOM 0 HG SER A 83 -5.791 2.438 15.400 1.00 1.28 H new ATOM 1195 N CYS A 84 -7.253 1.930 11.112 1.00 0.20 N ATOM 1196 CA CYS A 84 -8.326 2.739 10.553 1.00 0.20 C ATOM 1197 C CYS A 84 -9.148 1.931 9.555 1.00 0.18 C ATOM 1198 O CYS A 84 -10.088 2.453 8.949 1.00 0.22 O ATOM 1199 CB CYS A 84 -7.770 4.000 9.878 1.00 0.25 C ATOM 1200 SG CYS A 84 -6.897 3.706 8.303 1.00 0.28 S ATOM 0 H CYS A 84 -6.383 1.950 10.581 1.00 0.20 H new ATOM 0 HA CYS A 84 -8.974 3.044 11.374 1.00 0.20 H new ATOM 0 HB2 CYS A 84 -8.593 4.691 9.697 1.00 0.25 H new ATOM 0 HB3 CYS A 84 -7.086 4.493 10.569 1.00 0.25 H new ATOM 1205 N PHE A 85 -8.801 0.658 9.388 1.00 0.16 N ATOM 1206 CA PHE A 85 -9.509 -0.195 8.451 1.00 0.16 C ATOM 1207 C PHE A 85 -10.714 -0.851 9.109 1.00 0.17 C ATOM 1208 O PHE A 85 -10.765 -1.037 10.326 1.00 0.21 O ATOM 1209 CB PHE A 85 -8.606 -1.300 7.892 1.00 0.15 C ATOM 1210 CG PHE A 85 -7.398 -0.831 7.121 1.00 0.15 C ATOM 1211 CD1 PHE A 85 -7.265 0.484 6.703 1.00 0.17 C ATOM 1212 CD2 PHE A 85 -6.390 -1.728 6.811 1.00 0.16 C ATOM 1213 CE1 PHE A 85 -6.150 0.889 5.994 1.00 0.18 C ATOM 1214 CE2 PHE A 85 -5.275 -1.327 6.103 1.00 0.18 C ATOM 1215 CZ PHE A 85 -5.153 -0.019 5.695 1.00 0.18 C ATOM 0 H PHE A 85 -8.038 0.201 9.888 1.00 0.16 H new ATOM 0 HA PHE A 85 -9.835 0.450 7.635 1.00 0.16 H new ATOM 0 HB2 PHE A 85 -8.266 -1.920 8.721 1.00 0.15 H new ATOM 0 HB3 PHE A 85 -9.204 -1.938 7.241 1.00 0.15 H new ATOM 0 HD1 PHE A 85 -8.041 1.199 6.934 1.00 0.17 H new ATOM 0 HD2 PHE A 85 -6.477 -2.757 7.128 1.00 0.16 H new ATOM 0 HE1 PHE A 85 -6.058 1.916 5.673 1.00 0.18 H new ATOM 0 HE2 PHE A 85 -4.498 -2.040 5.869 1.00 0.18 H new ATOM 0 HZ PHE A 85 -4.280 0.297 5.143 1.00 0.18 H new ATOM 1225 N GLU A 86 -11.663 -1.203 8.273 1.00 0.16 N ATOM 1226 CA GLU A 86 -12.836 -1.961 8.664 1.00 0.17 C ATOM 1227 C GLU A 86 -12.756 -3.316 7.977 1.00 0.16 C ATOM 1228 O GLU A 86 -12.874 -3.399 6.756 1.00 0.17 O ATOM 1229 CB GLU A 86 -14.113 -1.224 8.229 1.00 0.20 C ATOM 1230 CG GLU A 86 -14.260 0.165 8.834 1.00 0.34 C ATOM 1231 CD GLU A 86 -14.534 0.132 10.324 1.00 1.22 C ATOM 1232 OE1 GLU A 86 -13.571 0.241 11.112 1.00 2.18 O ATOM 1233 OE2 GLU A 86 -15.706 -0.003 10.720 1.00 1.18 O ATOM 0 H GLU A 86 -11.644 -0.967 7.281 1.00 0.16 H new ATOM 0 HA GLU A 86 -12.869 -2.081 9.747 1.00 0.17 H new ATOM 0 HB2 GLU A 86 -14.119 -1.139 7.142 1.00 0.20 H new ATOM 0 HB3 GLU A 86 -14.980 -1.824 8.507 1.00 0.20 H new ATOM 0 HG2 GLU A 86 -13.349 0.735 8.650 1.00 0.34 H new ATOM 0 HG3 GLU A 86 -15.072 0.691 8.332 1.00 0.34 H new ATOM 1240 N GLN A 87 -12.502 -4.370 8.731 1.00 0.17 N ATOM 1241 CA GLN A 87 -12.324 -5.681 8.135 1.00 0.18 C ATOM 1242 C GLN A 87 -13.645 -6.422 7.998 1.00 0.14 C ATOM 1243 O GLN A 87 -14.562 -6.244 8.801 1.00 0.16 O ATOM 1244 CB GLN A 87 -11.314 -6.503 8.931 1.00 0.27 C ATOM 1245 CG GLN A 87 -9.946 -5.845 8.984 1.00 0.36 C ATOM 1246 CD GLN A 87 -8.859 -6.751 9.528 1.00 0.55 C ATOM 1247 OE1 GLN A 87 -8.614 -6.799 10.734 1.00 0.70 O ATOM 1248 NE2 GLN A 87 -8.182 -7.462 8.636 1.00 0.87 N ATOM 0 H GLN A 87 -12.415 -4.345 9.747 1.00 0.17 H new ATOM 0 HA GLN A 87 -11.930 -5.535 7.129 1.00 0.18 H new ATOM 0 HB2 GLN A 87 -11.685 -6.646 9.946 1.00 0.27 H new ATOM 0 HB3 GLN A 87 -11.221 -7.492 8.483 1.00 0.27 H new ATOM 0 HG2 GLN A 87 -9.669 -5.520 7.981 1.00 0.36 H new ATOM 0 HG3 GLN A 87 -10.006 -4.950 9.604 1.00 0.36 H new ATOM 0 HE21 GLN A 87 -8.416 -7.394 7.646 1.00 0.87 H new ATOM 0 HE22 GLN A 87 -7.427 -8.077 8.941 1.00 0.87 H new ATOM 1257 N HIS A 88 -13.714 -7.247 6.958 1.00 0.14 N ATOM 1258 CA HIS A 88 -14.902 -8.034 6.620 1.00 0.16 C ATOM 1259 C HIS A 88 -16.058 -7.140 6.200 1.00 0.15 C ATOM 1260 O HIS A 88 -17.168 -7.253 6.713 1.00 0.18 O ATOM 1261 CB HIS A 88 -15.353 -8.937 7.766 1.00 0.20 C ATOM 1262 CG HIS A 88 -14.267 -9.799 8.339 1.00 0.25 C ATOM 1263 ND1 HIS A 88 -14.233 -10.192 9.657 1.00 0.42 N ATOM 1264 CD2 HIS A 88 -13.174 -10.352 7.758 1.00 0.37 C ATOM 1265 CE1 HIS A 88 -13.172 -10.948 9.863 1.00 0.43 C ATOM 1266 NE2 HIS A 88 -12.513 -11.064 8.727 1.00 0.37 N ATOM 0 H HIS A 88 -12.936 -7.392 6.315 1.00 0.14 H new ATOM 0 HA HIS A 88 -14.612 -8.668 5.783 1.00 0.16 H new ATOM 0 HB2 HIS A 88 -15.765 -8.316 8.561 1.00 0.20 H new ATOM 0 HB3 HIS A 88 -16.160 -9.578 7.411 1.00 0.20 H new ATOM 0 HD2 HIS A 88 -12.878 -10.251 6.724 1.00 0.37 H new ATOM 0 HE1 HIS A 88 -12.890 -11.397 10.804 1.00 0.43 H new ATOM 0 HE2 HIS A 88 -11.653 -11.596 8.591 1.00 0.37 H new ATOM 1274 N VAL A 89 -15.788 -6.259 5.259 1.00 0.14 N ATOM 1275 CA VAL A 89 -16.797 -5.356 4.734 1.00 0.14 C ATOM 1276 C VAL A 89 -16.368 -4.854 3.365 1.00 0.15 C ATOM 1277 O VAL A 89 -15.248 -4.374 3.190 1.00 0.17 O ATOM 1278 CB VAL A 89 -17.058 -4.184 5.709 1.00 0.16 C ATOM 1279 CG1 VAL A 89 -15.779 -3.783 6.398 1.00 0.15 C ATOM 1280 CG2 VAL A 89 -17.674 -2.980 5.012 1.00 0.20 C ATOM 0 H VAL A 89 -14.867 -6.147 4.836 1.00 0.14 H new ATOM 0 HA VAL A 89 -17.737 -5.898 4.628 1.00 0.14 H new ATOM 0 HB VAL A 89 -17.776 -4.536 6.450 1.00 0.16 H new ATOM 0 HG11 VAL A 89 -15.977 -2.957 7.081 1.00 0.15 H new ATOM 0 HG12 VAL A 89 -15.386 -4.631 6.958 1.00 0.15 H new ATOM 0 HG13 VAL A 89 -15.047 -3.470 5.653 1.00 0.15 H new ATOM 0 HG21 VAL A 89 -17.838 -2.184 5.738 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -16.999 -2.626 4.232 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -18.626 -3.266 4.566 1.00 0.20 H new ATOM 1290 N SER A 90 -17.252 -5.000 2.394 1.00 0.17 N ATOM 1291 CA SER A 90 -16.906 -4.731 1.012 1.00 0.20 C ATOM 1292 C SER A 90 -17.766 -3.622 0.425 1.00 0.22 C ATOM 1293 O SER A 90 -18.989 -3.630 0.560 1.00 0.21 O ATOM 1294 CB SER A 90 -17.068 -6.009 0.184 1.00 0.22 C ATOM 1295 OG SER A 90 -16.658 -5.815 -1.156 1.00 0.30 O ATOM 0 H SER A 90 -18.215 -5.304 2.538 1.00 0.17 H new ATOM 0 HA SER A 90 -15.868 -4.399 0.982 1.00 0.20 H new ATOM 0 HB2 SER A 90 -16.481 -6.811 0.632 1.00 0.22 H new ATOM 0 HB3 SER A 90 -18.110 -6.327 0.204 1.00 0.22 H new ATOM 0 HG SER A 90 -16.772 -6.649 -1.657 1.00 0.30 H new ATOM 1301 N TYR A 91 -17.117 -2.653 -0.196 1.00 0.28 N ATOM 1302 CA TYR A 91 -17.819 -1.667 -0.994 1.00 0.28 C ATOM 1303 C TYR A 91 -17.471 -1.910 -2.458 1.00 0.32 C ATOM 1304 O TYR A 91 -16.302 -1.840 -2.839 1.00 0.38 O ATOM 1305 CB TYR A 91 -17.408 -0.249 -0.585 1.00 0.33 C ATOM 1306 CG TYR A 91 -17.450 0.009 0.911 1.00 0.33 C ATOM 1307 CD1 TYR A 91 -16.405 -0.381 1.736 1.00 0.32 C ATOM 1308 CD2 TYR A 91 -18.545 0.629 1.501 1.00 0.39 C ATOM 1309 CE1 TYR A 91 -16.450 -0.162 3.098 1.00 0.36 C ATOM 1310 CE2 TYR A 91 -18.592 0.853 2.862 1.00 0.43 C ATOM 1311 CZ TYR A 91 -17.510 0.508 3.647 1.00 0.39 C ATOM 1312 OH TYR A 91 -17.591 0.676 5.013 1.00 0.46 O ATOM 0 H TYR A 91 -16.105 -2.529 -0.162 1.00 0.28 H new ATOM 0 HA TYR A 91 -18.894 -1.761 -0.837 1.00 0.28 H new ATOM 0 HB2 TYR A 91 -16.397 -0.058 -0.946 1.00 0.33 H new ATOM 0 HB3 TYR A 91 -18.064 0.464 -1.083 1.00 0.33 H new ATOM 0 HD1 TYR A 91 -15.541 -0.865 1.305 1.00 0.32 H new ATOM 0 HD2 TYR A 91 -19.374 0.941 0.883 1.00 0.39 H new ATOM 0 HE1 TYR A 91 -15.650 -0.519 3.730 1.00 0.36 H new ATOM 0 HE2 TYR A 91 -19.470 1.295 3.310 1.00 0.43 H new ATOM 0 HH TYR A 91 -18.353 1.254 5.227 1.00 0.46 H new ATOM 1322 N GLU A 92 -18.473 -2.184 -3.277 1.00 0.30 N ATOM 1323 CA GLU A 92 -18.236 -2.522 -4.675 1.00 0.36 C ATOM 1324 C GLU A 92 -19.221 -1.811 -5.583 1.00 0.32 C ATOM 1325 O GLU A 92 -18.840 -1.289 -6.628 1.00 0.32 O ATOM 1326 CB GLU A 92 -18.319 -4.037 -4.889 1.00 0.45 C ATOM 1327 CG GLU A 92 -17.231 -4.809 -4.160 1.00 0.51 C ATOM 1328 CD GLU A 92 -17.380 -6.309 -4.301 1.00 0.68 C ATOM 1329 OE1 GLU A 92 -18.347 -6.873 -3.745 1.00 0.91 O ATOM 1330 OE2 GLU A 92 -16.536 -6.931 -4.979 1.00 1.12 O ATOM 0 H GLU A 92 -19.455 -2.180 -3.002 1.00 0.30 H new ATOM 0 HA GLU A 92 -17.231 -2.188 -4.931 1.00 0.36 H new ATOM 0 HB2 GLU A 92 -19.293 -4.391 -4.553 1.00 0.45 H new ATOM 0 HB3 GLU A 92 -18.253 -4.250 -5.956 1.00 0.45 H new ATOM 0 HG2 GLU A 92 -16.257 -4.507 -4.546 1.00 0.51 H new ATOM 0 HG3 GLU A 92 -17.251 -4.544 -3.103 1.00 0.51 H new ATOM 1337 N GLY A 93 -20.481 -1.778 -5.172 1.00 0.31 N ATOM 1338 CA GLY A 93 -21.491 -1.070 -5.935 1.00 0.30 C ATOM 1339 C GLY A 93 -21.214 0.420 -6.008 1.00 0.28 C ATOM 1340 O GLY A 93 -21.753 1.117 -6.864 1.00 0.28 O ATOM 0 H GLY A 93 -20.823 -2.229 -4.323 1.00 0.31 H new ATOM 0 HA2 GLY A 93 -21.535 -1.480 -6.944 1.00 0.30 H new ATOM 0 HA3 GLY A 93 -22.468 -1.234 -5.481 1.00 0.30 H new ATOM 1344 N ALA A 94 -20.381 0.905 -5.094 1.00 0.28 N ATOM 1345 CA ALA A 94 -19.999 2.307 -5.067 1.00 0.28 C ATOM 1346 C ALA A 94 -19.159 2.649 -6.289 1.00 0.29 C ATOM 1347 O ALA A 94 -18.255 1.889 -6.652 1.00 0.33 O ATOM 1348 CB ALA A 94 -19.226 2.618 -3.792 1.00 0.28 C ATOM 0 H ALA A 94 -19.956 0.341 -4.358 1.00 0.28 H new ATOM 0 HA ALA A 94 -20.903 2.915 -5.085 1.00 0.28 H new ATOM 0 HB1 ALA A 94 -18.946 3.671 -3.784 1.00 0.28 H new ATOM 0 HB2 ALA A 94 -19.851 2.402 -2.926 1.00 0.28 H new ATOM 0 HB3 ALA A 94 -18.327 2.003 -3.752 1.00 0.28 H new ATOM 1354 N PRO A 95 -19.465 3.779 -6.949 1.00 0.33 N ATOM 1355 CA PRO A 95 -18.704 4.254 -8.106 1.00 0.37 C ATOM 1356 C PRO A 95 -17.209 4.276 -7.825 1.00 0.32 C ATOM 1357 O PRO A 95 -16.748 4.936 -6.887 1.00 0.31 O ATOM 1358 CB PRO A 95 -19.235 5.671 -8.320 1.00 0.47 C ATOM 1359 CG PRO A 95 -20.625 5.624 -7.793 1.00 0.52 C ATOM 1360 CD PRO A 95 -20.585 4.681 -6.622 1.00 0.43 C ATOM 0 HA PRO A 95 -18.824 3.610 -8.977 1.00 0.37 H new ATOM 0 HB2 PRO A 95 -18.632 6.407 -7.788 1.00 0.47 H new ATOM 0 HB3 PRO A 95 -19.218 5.948 -9.374 1.00 0.47 H new ATOM 0 HG2 PRO A 95 -20.961 6.615 -7.487 1.00 0.52 H new ATOM 0 HG3 PRO A 95 -21.321 5.273 -8.555 1.00 0.52 H new ATOM 0 HD2 PRO A 95 -20.414 5.211 -5.685 1.00 0.43 H new ATOM 0 HD3 PRO A 95 -21.522 4.135 -6.513 1.00 0.43 H new ATOM 1368 N ASP A 96 -16.461 3.532 -8.626 1.00 0.33 N ATOM 1369 CA ASP A 96 -15.030 3.396 -8.419 1.00 0.33 C ATOM 1370 C ASP A 96 -14.321 4.675 -8.808 1.00 0.35 C ATOM 1371 O ASP A 96 -14.595 5.266 -9.853 1.00 0.48 O ATOM 1372 CB ASP A 96 -14.445 2.226 -9.215 1.00 0.43 C ATOM 1373 CG ASP A 96 -15.494 1.271 -9.742 1.00 0.51 C ATOM 1374 OD1 ASP A 96 -15.629 0.164 -9.181 1.00 0.71 O ATOM 1375 OD2 ASP A 96 -16.193 1.629 -10.712 1.00 0.59 O ATOM 0 H ASP A 96 -16.823 3.013 -9.426 1.00 0.33 H new ATOM 0 HA ASP A 96 -14.875 3.195 -7.359 1.00 0.33 H new ATOM 0 HB2 ASP A 96 -13.869 2.619 -10.053 1.00 0.43 H new ATOM 0 HB3 ASP A 96 -13.750 1.676 -8.580 1.00 0.43 H new ATOM 1380 N VAL A 97 -13.414 5.097 -7.955 1.00 0.28 N ATOM 1381 CA VAL A 97 -12.687 6.335 -8.159 1.00 0.29 C ATOM 1382 C VAL A 97 -11.294 6.059 -8.709 1.00 0.29 C ATOM 1383 O VAL A 97 -10.622 6.955 -9.216 1.00 0.32 O ATOM 1384 CB VAL A 97 -12.595 7.121 -6.839 1.00 0.28 C ATOM 1385 CG1 VAL A 97 -13.981 7.547 -6.394 1.00 0.30 C ATOM 1386 CG2 VAL A 97 -11.931 6.279 -5.766 1.00 0.24 C ATOM 0 H VAL A 97 -13.159 4.596 -7.104 1.00 0.28 H new ATOM 0 HA VAL A 97 -13.229 6.936 -8.889 1.00 0.29 H new ATOM 0 HB VAL A 97 -11.987 8.011 -7.001 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -13.908 8.103 -5.459 1.00 0.30 H new ATOM 0 HG12 VAL A 97 -14.430 8.181 -7.159 1.00 0.30 H new ATOM 0 HG13 VAL A 97 -14.602 6.664 -6.244 1.00 0.30 H new ATOM 0 HG21 VAL A 97 -11.874 6.850 -4.839 1.00 0.24 H new ATOM 0 HG22 VAL A 97 -12.516 5.374 -5.600 1.00 0.24 H new ATOM 0 HG23 VAL A 97 -10.926 6.007 -6.087 1.00 0.24 H new ATOM 1396 N MET A 98 -10.870 4.805 -8.594 1.00 0.27 N ATOM 1397 CA MET A 98 -9.590 4.361 -9.125 1.00 0.27 C ATOM 1398 C MET A 98 -9.721 2.943 -9.656 1.00 0.27 C ATOM 1399 O MET A 98 -10.664 2.224 -9.308 1.00 0.27 O ATOM 1400 CB MET A 98 -8.509 4.383 -8.041 1.00 0.26 C ATOM 1401 CG MET A 98 -8.225 5.753 -7.460 1.00 0.36 C ATOM 1402 SD MET A 98 -7.194 6.770 -8.537 1.00 1.01 S ATOM 1403 CE MET A 98 -5.684 5.804 -8.571 1.00 0.65 C ATOM 0 H MET A 98 -11.404 4.070 -8.130 1.00 0.27 H new ATOM 0 HA MET A 98 -9.302 5.041 -9.927 1.00 0.27 H new ATOM 0 HB2 MET A 98 -8.810 3.716 -7.233 1.00 0.26 H new ATOM 0 HB3 MET A 98 -7.586 3.982 -8.459 1.00 0.26 H new ATOM 0 HG2 MET A 98 -9.168 6.267 -7.276 1.00 0.36 H new ATOM 0 HG3 MET A 98 -7.731 5.638 -6.495 1.00 0.36 H new ATOM 0 HE1 MET A 98 -4.875 6.408 -8.982 1.00 0.65 H new ATOM 0 HE2 MET A 98 -5.427 5.494 -7.558 1.00 0.65 H new ATOM 0 HE3 MET A 98 -5.831 4.922 -9.194 1.00 0.65 H new ATOM 1413 N THR A 99 -8.778 2.551 -10.494 1.00 0.31 N ATOM 1414 CA THR A 99 -8.710 1.201 -11.012 1.00 0.32 C ATOM 1415 C THR A 99 -8.239 0.246 -9.919 1.00 0.28 C ATOM 1416 O THR A 99 -7.318 0.567 -9.165 1.00 0.30 O ATOM 1417 CB THR A 99 -7.741 1.144 -12.208 1.00 0.38 C ATOM 1418 OG1 THR A 99 -8.228 1.977 -13.269 1.00 0.45 O ATOM 1419 CG2 THR A 99 -7.565 -0.278 -12.710 1.00 0.41 C ATOM 0 H THR A 99 -8.037 3.164 -10.834 1.00 0.31 H new ATOM 0 HA THR A 99 -9.704 0.900 -11.344 1.00 0.32 H new ATOM 0 HB THR A 99 -6.769 1.507 -11.873 1.00 0.38 H new ATOM 0 HG1 THR A 99 -7.607 1.938 -14.026 1.00 0.45 H new ATOM 0 HG21 THR A 99 -6.875 -0.283 -13.554 1.00 0.41 H new ATOM 0 HG22 THR A 99 -7.163 -0.899 -11.910 1.00 0.41 H new ATOM 0 HG23 THR A 99 -8.530 -0.674 -13.027 1.00 0.41 H new ATOM 1427 N ALA A 100 -8.887 -0.913 -9.823 1.00 0.27 N ATOM 1428 CA ALA A 100 -8.526 -1.908 -8.827 1.00 0.24 C ATOM 1429 C ALA A 100 -7.086 -2.346 -8.982 1.00 0.24 C ATOM 1430 O ALA A 100 -6.554 -2.409 -10.092 1.00 0.34 O ATOM 1431 CB ALA A 100 -9.417 -3.125 -8.920 1.00 0.25 C ATOM 0 H ALA A 100 -9.665 -1.182 -10.425 1.00 0.27 H new ATOM 0 HA ALA A 100 -8.656 -1.437 -7.853 1.00 0.24 H new ATOM 0 HB1 ALA A 100 -9.122 -3.851 -8.162 1.00 0.25 H new ATOM 0 HB2 ALA A 100 -10.454 -2.830 -8.756 1.00 0.25 H new ATOM 0 HB3 ALA A 100 -9.319 -3.573 -9.909 1.00 0.25 H new ATOM 1437 N MET A 101 -6.473 -2.684 -7.869 1.00 0.17 N ATOM 1438 CA MET A 101 -5.080 -3.057 -7.856 1.00 0.17 C ATOM 1439 C MET A 101 -4.923 -4.442 -7.265 1.00 0.14 C ATOM 1440 O MET A 101 -5.780 -4.902 -6.535 1.00 0.15 O ATOM 1441 CB MET A 101 -4.282 -2.052 -7.039 1.00 0.21 C ATOM 1442 CG MET A 101 -2.783 -2.289 -7.068 1.00 0.26 C ATOM 1443 SD MET A 101 -2.025 -1.783 -8.626 1.00 1.07 S ATOM 1444 CE MET A 101 -2.346 -0.022 -8.604 1.00 0.90 C ATOM 0 H MET A 101 -6.924 -2.707 -6.955 1.00 0.17 H new ATOM 0 HA MET A 101 -4.704 -3.062 -8.879 1.00 0.17 H new ATOM 0 HB2 MET A 101 -4.489 -1.049 -7.412 1.00 0.21 H new ATOM 0 HB3 MET A 101 -4.625 -2.084 -6.005 1.00 0.21 H new ATOM 0 HG2 MET A 101 -2.317 -1.742 -6.248 1.00 0.26 H new ATOM 0 HG3 MET A 101 -2.584 -3.347 -6.899 1.00 0.26 H new ATOM 0 HE1 MET A 101 -1.593 0.493 -9.201 1.00 0.90 H new ATOM 0 HE2 MET A 101 -3.334 0.173 -9.020 1.00 0.90 H new ATOM 0 HE3 MET A 101 -2.306 0.342 -7.577 1.00 0.90 H new ATOM 1454 N VAL A 102 -3.844 -5.103 -7.596 1.00 0.15 N ATOM 1455 CA VAL A 102 -3.568 -6.429 -7.063 1.00 0.14 C ATOM 1456 C VAL A 102 -2.309 -6.404 -6.197 1.00 0.14 C ATOM 1457 O VAL A 102 -1.214 -6.116 -6.678 1.00 0.18 O ATOM 1458 CB VAL A 102 -3.419 -7.470 -8.187 1.00 0.15 C ATOM 1459 CG1 VAL A 102 -3.020 -8.827 -7.622 1.00 0.16 C ATOM 1460 CG2 VAL A 102 -4.711 -7.585 -8.984 1.00 0.16 C ATOM 0 H VAL A 102 -3.133 -4.749 -8.236 1.00 0.15 H new ATOM 0 HA VAL A 102 -4.418 -6.721 -6.447 1.00 0.14 H new ATOM 0 HB VAL A 102 -2.627 -7.134 -8.856 1.00 0.15 H new ATOM 0 HG11 VAL A 102 -2.921 -9.545 -8.436 1.00 0.16 H new ATOM 0 HG12 VAL A 102 -2.068 -8.738 -7.099 1.00 0.16 H new ATOM 0 HG13 VAL A 102 -3.785 -9.171 -6.926 1.00 0.16 H new ATOM 0 HG21 VAL A 102 -4.586 -8.326 -9.774 1.00 0.16 H new ATOM 0 HG22 VAL A 102 -5.521 -7.893 -8.322 1.00 0.16 H new ATOM 0 HG23 VAL A 102 -4.952 -6.619 -9.427 1.00 0.16 H new ATOM 1470 N THR A 103 -2.482 -6.705 -4.918 1.00 0.15 N ATOM 1471 CA THR A 103 -1.410 -6.591 -3.939 1.00 0.14 C ATOM 1472 C THR A 103 -1.591 -7.607 -2.817 1.00 0.15 C ATOM 1473 O THR A 103 -2.690 -8.111 -2.606 1.00 0.18 O ATOM 1474 CB THR A 103 -1.379 -5.171 -3.335 1.00 0.15 C ATOM 1475 OG1 THR A 103 -0.426 -5.088 -2.269 1.00 0.18 O ATOM 1476 CG2 THR A 103 -2.745 -4.775 -2.811 1.00 0.19 C ATOM 0 H THR A 103 -3.366 -7.034 -4.530 1.00 0.15 H new ATOM 0 HA THR A 103 -0.469 -6.789 -4.452 1.00 0.14 H new ATOM 0 HB THR A 103 -1.087 -4.486 -4.131 1.00 0.15 H new ATOM 0 HG1 THR A 103 0.145 -4.303 -2.401 1.00 0.18 H new ATOM 0 HG21 THR A 103 -2.696 -3.771 -2.391 1.00 0.19 H new ATOM 0 HG22 THR A 103 -3.467 -4.792 -3.628 1.00 0.19 H new ATOM 0 HG23 THR A 103 -3.056 -5.477 -2.037 1.00 0.19 H new ATOM 1484 N SER A 104 -0.516 -7.910 -2.092 1.00 0.16 N ATOM 1485 CA SER A 104 -0.610 -8.813 -0.958 1.00 0.19 C ATOM 1486 C SER A 104 -0.740 -8.034 0.355 1.00 0.18 C ATOM 1487 O SER A 104 -0.383 -8.536 1.417 1.00 0.26 O ATOM 1488 CB SER A 104 0.618 -9.721 -0.918 1.00 0.25 C ATOM 1489 OG SER A 104 0.750 -10.450 -2.129 1.00 1.03 O ATOM 0 H SER A 104 0.420 -7.545 -2.271 1.00 0.16 H new ATOM 0 HA SER A 104 -1.505 -9.425 -1.075 1.00 0.19 H new ATOM 0 HB2 SER A 104 1.513 -9.122 -0.751 1.00 0.25 H new ATOM 0 HB3 SER A 104 0.536 -10.413 -0.080 1.00 0.25 H new ATOM 0 HG SER A 104 1.544 -11.023 -2.081 1.00 1.03 H new ATOM 1495 N GLN A 105 -1.217 -6.792 0.274 1.00 0.15 N ATOM 1496 CA GLN A 105 -1.411 -5.967 1.466 1.00 0.14 C ATOM 1497 C GLN A 105 -2.469 -4.895 1.251 1.00 0.13 C ATOM 1498 O GLN A 105 -2.519 -4.256 0.202 1.00 0.15 O ATOM 1499 CB GLN A 105 -0.102 -5.298 1.889 1.00 0.15 C ATOM 1500 CG GLN A 105 0.624 -4.582 0.762 1.00 0.15 C ATOM 1501 CD GLN A 105 1.928 -5.261 0.413 1.00 0.24 C ATOM 1502 OE1 GLN A 105 2.864 -4.621 -0.041 1.00 0.67 O ATOM 1503 NE2 GLN A 105 2.002 -6.565 0.641 1.00 0.21 N ATOM 0 H GLN A 105 -1.475 -6.336 -0.601 1.00 0.15 H new ATOM 0 HA GLN A 105 -1.751 -6.638 2.255 1.00 0.14 H new ATOM 0 HB2 GLN A 105 -0.313 -4.582 2.683 1.00 0.15 H new ATOM 0 HB3 GLN A 105 0.560 -6.055 2.310 1.00 0.15 H new ATOM 0 HG2 GLN A 105 -0.016 -4.550 -0.120 1.00 0.15 H new ATOM 0 HG3 GLN A 105 0.818 -3.550 1.053 1.00 0.15 H new ATOM 0 HE21 GLN A 105 1.197 -7.063 1.021 1.00 0.21 H new ATOM 0 HE22 GLN A 105 2.864 -7.070 0.436 1.00 0.21 H new ATOM 1512 N SER A 106 -3.288 -4.683 2.273 1.00 0.13 N ATOM 1513 CA SER A 106 -4.302 -3.638 2.254 1.00 0.13 C ATOM 1514 C SER A 106 -3.651 -2.264 2.350 1.00 0.14 C ATOM 1515 O SER A 106 -4.253 -1.247 1.998 1.00 0.15 O ATOM 1516 CB SER A 106 -5.278 -3.844 3.414 1.00 0.17 C ATOM 1517 OG SER A 106 -4.585 -4.174 4.608 1.00 1.31 O ATOM 0 H SER A 106 -3.268 -5.228 3.135 1.00 0.13 H new ATOM 0 HA SER A 106 -4.850 -3.694 1.313 1.00 0.13 H new ATOM 0 HB2 SER A 106 -5.863 -2.937 3.567 1.00 0.17 H new ATOM 0 HB3 SER A 106 -5.981 -4.639 3.166 1.00 0.17 H new ATOM 0 HG SER A 106 -5.229 -4.299 5.336 1.00 1.31 H new ATOM 1523 N ALA A 107 -2.411 -2.255 2.826 1.00 0.14 N ATOM 1524 CA ALA A 107 -1.637 -1.035 2.960 1.00 0.16 C ATOM 1525 C ALA A 107 -1.453 -0.349 1.615 1.00 0.14 C ATOM 1526 O ALA A 107 -1.494 0.878 1.518 1.00 0.15 O ATOM 1527 CB ALA A 107 -0.286 -1.363 3.557 1.00 0.20 C ATOM 0 H ALA A 107 -1.918 -3.095 3.129 1.00 0.14 H new ATOM 0 HA ALA A 107 -2.178 -0.352 3.615 1.00 0.16 H new ATOM 0 HB1 ALA A 107 0.298 -0.449 3.659 1.00 0.20 H new ATOM 0 HB2 ALA A 107 -0.423 -1.818 4.538 1.00 0.20 H new ATOM 0 HB3 ALA A 107 0.241 -2.059 2.904 1.00 0.20 H new ATOM 1533 N ASP A 108 -1.258 -1.153 0.582 1.00 0.14 N ATOM 1534 CA ASP A 108 -1.040 -0.641 -0.764 1.00 0.15 C ATOM 1535 C ASP A 108 -2.247 0.180 -1.201 1.00 0.13 C ATOM 1536 O ASP A 108 -2.109 1.303 -1.686 1.00 0.14 O ATOM 1537 CB ASP A 108 -0.821 -1.813 -1.716 1.00 0.17 C ATOM 1538 CG ASP A 108 -0.152 -1.433 -3.022 1.00 0.51 C ATOM 1539 OD1 ASP A 108 -0.812 -0.815 -3.877 1.00 0.83 O ATOM 1540 OD2 ASP A 108 1.034 -1.795 -3.203 1.00 0.98 O ATOM 0 H ASP A 108 -1.246 -2.171 0.650 1.00 0.14 H new ATOM 0 HA ASP A 108 -0.159 0.000 -0.779 1.00 0.15 H new ATOM 0 HB2 ASP A 108 -0.213 -2.566 -1.214 1.00 0.17 H new ATOM 0 HB3 ASP A 108 -1.784 -2.275 -1.934 1.00 0.17 H new ATOM 1545 N CYS A 109 -3.439 -0.371 -0.967 1.00 0.11 N ATOM 1546 CA CYS A 109 -4.679 0.321 -1.291 1.00 0.11 C ATOM 1547 C CYS A 109 -4.813 1.589 -0.449 1.00 0.10 C ATOM 1548 O CYS A 109 -5.393 2.583 -0.889 1.00 0.11 O ATOM 1549 CB CYS A 109 -5.891 -0.582 -1.041 1.00 0.13 C ATOM 1550 SG CYS A 109 -5.533 -2.372 -1.063 1.00 0.14 S ATOM 0 H CYS A 109 -3.568 -1.295 -0.554 1.00 0.11 H new ATOM 0 HA CYS A 109 -4.648 0.586 -2.348 1.00 0.11 H new ATOM 0 HB2 CYS A 109 -6.324 -0.325 -0.074 1.00 0.13 H new ATOM 0 HB3 CYS A 109 -6.647 -0.368 -1.796 1.00 0.13 H new ATOM 1555 N GLN A 110 -4.267 1.542 0.763 1.00 0.10 N ATOM 1556 CA GLN A 110 -4.284 2.689 1.658 1.00 0.10 C ATOM 1557 C GLN A 110 -3.494 3.845 1.058 1.00 0.10 C ATOM 1558 O GLN A 110 -3.999 4.954 0.952 1.00 0.13 O ATOM 1559 CB GLN A 110 -3.725 2.297 3.031 1.00 0.12 C ATOM 1560 CG GLN A 110 -3.291 3.475 3.889 1.00 0.13 C ATOM 1561 CD GLN A 110 -2.823 3.050 5.265 1.00 0.26 C ATOM 1562 OE1 GLN A 110 -3.588 3.049 6.221 1.00 1.33 O ATOM 1563 NE2 GLN A 110 -1.564 2.667 5.375 1.00 0.80 N ATOM 0 H GLN A 110 -3.806 0.717 1.147 1.00 0.10 H new ATOM 0 HA GLN A 110 -5.315 3.017 1.789 1.00 0.10 H new ATOM 0 HB2 GLN A 110 -4.483 1.729 3.570 1.00 0.12 H new ATOM 0 HB3 GLN A 110 -2.872 1.633 2.887 1.00 0.12 H new ATOM 0 HG2 GLN A 110 -2.487 4.011 3.385 1.00 0.13 H new ATOM 0 HG3 GLN A 110 -4.123 4.172 3.991 1.00 0.13 H new ATOM 0 HE21 GLN A 110 -0.954 2.680 4.558 1.00 0.80 H new ATOM 0 HE22 GLN A 110 -1.202 2.358 6.277 1.00 0.80 H new ATOM 1572 N ALA A 111 -2.267 3.569 0.632 1.00 0.10 N ATOM 1573 CA ALA A 111 -1.420 4.597 0.033 1.00 0.11 C ATOM 1574 C ALA A 111 -2.015 5.089 -1.273 1.00 0.11 C ATOM 1575 O ALA A 111 -1.828 6.240 -1.667 1.00 0.13 O ATOM 1576 CB ALA A 111 -0.022 4.066 -0.213 1.00 0.15 C ATOM 0 H ALA A 111 -1.836 2.646 0.689 1.00 0.10 H new ATOM 0 HA ALA A 111 -1.363 5.431 0.733 1.00 0.11 H new ATOM 0 HB1 ALA A 111 0.591 4.849 -0.660 1.00 0.15 H new ATOM 0 HB2 ALA A 111 0.420 3.754 0.733 1.00 0.15 H new ATOM 0 HB3 ALA A 111 -0.071 3.213 -0.890 1.00 0.15 H new ATOM 1582 N ALA A 112 -2.716 4.196 -1.941 1.00 0.10 N ATOM 1583 CA ALA A 112 -3.334 4.494 -3.211 1.00 0.13 C ATOM 1584 C ALA A 112 -4.498 5.458 -3.052 1.00 0.13 C ATOM 1585 O ALA A 112 -4.590 6.459 -3.757 1.00 0.19 O ATOM 1586 CB ALA A 112 -3.785 3.197 -3.840 1.00 0.17 C ATOM 0 H ALA A 112 -2.872 3.242 -1.616 1.00 0.10 H new ATOM 0 HA ALA A 112 -2.608 4.985 -3.859 1.00 0.13 H new ATOM 0 HB1 ALA A 112 -4.255 3.403 -4.802 1.00 0.17 H new ATOM 0 HB2 ALA A 112 -2.924 2.546 -3.989 1.00 0.17 H new ATOM 0 HB3 ALA A 112 -4.503 2.705 -3.184 1.00 0.17 H new ATOM 1592 N CYS A 113 -5.371 5.170 -2.111 1.00 0.12 N ATOM 1593 CA CYS A 113 -6.562 5.973 -1.936 1.00 0.14 C ATOM 1594 C CYS A 113 -6.276 7.222 -1.101 1.00 0.13 C ATOM 1595 O CYS A 113 -6.880 8.273 -1.320 1.00 0.15 O ATOM 1596 CB CYS A 113 -7.664 5.139 -1.300 1.00 0.17 C ATOM 1597 SG CYS A 113 -9.274 5.979 -1.232 1.00 0.25 S ATOM 0 H CYS A 113 -5.280 4.391 -1.459 1.00 0.12 H new ATOM 0 HA CYS A 113 -6.895 6.307 -2.919 1.00 0.14 H new ATOM 0 HB2 CYS A 113 -7.773 4.210 -1.860 1.00 0.17 H new ATOM 0 HB3 CYS A 113 -7.363 4.868 -0.288 1.00 0.17 H new ATOM 1602 N ALA A 114 -5.326 7.118 -0.173 1.00 0.14 N ATOM 1603 CA ALA A 114 -4.991 8.238 0.707 1.00 0.16 C ATOM 1604 C ALA A 114 -4.290 9.355 -0.055 1.00 0.17 C ATOM 1605 O ALA A 114 -4.161 10.474 0.441 1.00 0.25 O ATOM 1606 CB ALA A 114 -4.120 7.775 1.866 1.00 0.18 C ATOM 0 H ALA A 114 -4.777 6.274 -0.011 1.00 0.14 H new ATOM 0 HA ALA A 114 -5.928 8.630 1.104 1.00 0.16 H new ATOM 0 HB1 ALA A 114 -3.884 8.625 2.506 1.00 0.18 H new ATOM 0 HB2 ALA A 114 -4.655 7.022 2.445 1.00 0.18 H new ATOM 0 HB3 ALA A 114 -3.196 7.346 1.478 1.00 0.18 H new ATOM 1612 N ALA A 115 -3.839 9.051 -1.258 1.00 0.16 N ATOM 1613 CA ALA A 115 -3.105 10.018 -2.048 1.00 0.19 C ATOM 1614 C ALA A 115 -3.980 10.679 -3.097 1.00 0.22 C ATOM 1615 O ALA A 115 -3.607 11.704 -3.665 1.00 0.31 O ATOM 1616 CB ALA A 115 -1.923 9.354 -2.720 1.00 0.18 C ATOM 0 H ALA A 115 -3.968 8.144 -1.707 1.00 0.16 H new ATOM 0 HA ALA A 115 -2.756 10.793 -1.366 1.00 0.19 H new ATOM 0 HB1 ALA A 115 -1.379 10.091 -3.311 1.00 0.18 H new ATOM 0 HB2 ALA A 115 -1.261 8.937 -1.962 1.00 0.18 H new ATOM 0 HB3 ALA A 115 -2.277 8.555 -3.372 1.00 0.18 H new ATOM 1622 N ASP A 116 -5.134 10.093 -3.369 1.00 0.22 N ATOM 1623 CA ASP A 116 -5.991 10.614 -4.417 1.00 0.26 C ATOM 1624 C ASP A 116 -7.077 11.500 -3.819 1.00 0.28 C ATOM 1625 O ASP A 116 -7.716 11.133 -2.832 1.00 0.31 O ATOM 1626 CB ASP A 116 -6.628 9.485 -5.216 1.00 0.30 C ATOM 1627 CG ASP A 116 -7.127 9.955 -6.566 1.00 0.40 C ATOM 1628 OD1 ASP A 116 -8.346 10.202 -6.700 1.00 0.44 O ATOM 1629 OD2 ASP A 116 -6.309 10.065 -7.503 1.00 0.51 O ATOM 0 H ASP A 116 -5.494 9.269 -2.887 1.00 0.22 H new ATOM 0 HA ASP A 116 -5.374 11.207 -5.092 1.00 0.26 H new ATOM 0 HB2 ASP A 116 -5.900 8.686 -5.357 1.00 0.30 H new ATOM 0 HB3 ASP A 116 -7.458 9.064 -4.649 1.00 0.30 H new ATOM 1634 N PRO A 117 -7.305 12.672 -4.422 1.00 0.30 N ATOM 1635 CA PRO A 117 -8.251 13.664 -3.910 1.00 0.34 C ATOM 1636 C PRO A 117 -9.699 13.276 -4.178 1.00 0.35 C ATOM 1637 O PRO A 117 -10.623 13.794 -3.548 1.00 0.40 O ATOM 1638 CB PRO A 117 -7.884 14.926 -4.689 1.00 0.38 C ATOM 1639 CG PRO A 117 -7.350 14.418 -5.983 1.00 0.36 C ATOM 1640 CD PRO A 117 -6.655 13.120 -5.666 1.00 0.31 C ATOM 0 HA PRO A 117 -8.184 13.775 -2.828 1.00 0.34 H new ATOM 0 HB2 PRO A 117 -8.753 15.566 -4.841 1.00 0.38 H new ATOM 0 HB3 PRO A 117 -7.140 15.519 -4.157 1.00 0.38 H new ATOM 0 HG2 PRO A 117 -8.154 14.264 -6.703 1.00 0.36 H new ATOM 0 HG3 PRO A 117 -6.657 15.133 -6.427 1.00 0.36 H new ATOM 0 HD2 PRO A 117 -6.780 12.392 -6.468 1.00 0.31 H new ATOM 0 HD3 PRO A 117 -5.583 13.262 -5.529 1.00 0.31 H new ATOM 1648 N SER A 118 -9.895 12.356 -5.110 1.00 0.36 N ATOM 1649 CA SER A 118 -11.227 11.912 -5.465 1.00 0.40 C ATOM 1650 C SER A 118 -11.533 10.591 -4.775 1.00 0.35 C ATOM 1651 O SER A 118 -12.643 10.066 -4.883 1.00 0.32 O ATOM 1652 CB SER A 118 -11.353 11.765 -6.985 1.00 0.46 C ATOM 1653 OG SER A 118 -12.692 11.479 -7.367 1.00 1.13 O ATOM 0 H SER A 118 -9.145 11.904 -5.633 1.00 0.36 H new ATOM 0 HA SER A 118 -11.949 12.658 -5.132 1.00 0.40 H new ATOM 0 HB2 SER A 118 -11.023 12.684 -7.470 1.00 0.46 H new ATOM 0 HB3 SER A 118 -10.696 10.967 -7.331 1.00 0.46 H new ATOM 0 HG SER A 118 -13.096 10.870 -6.714 1.00 1.13 H new ATOM 1659 N CYS A 119 -10.559 10.071 -4.039 1.00 0.35 N ATOM 1660 CA CYS A 119 -10.721 8.785 -3.391 1.00 0.31 C ATOM 1661 C CYS A 119 -10.991 8.968 -1.906 1.00 0.32 C ATOM 1662 O CYS A 119 -10.249 9.661 -1.205 1.00 0.37 O ATOM 1663 CB CYS A 119 -9.488 7.904 -3.586 1.00 0.31 C ATOM 1664 SG CYS A 119 -9.776 6.148 -3.190 1.00 0.31 S ATOM 0 H CYS A 119 -9.657 10.519 -3.879 1.00 0.35 H new ATOM 0 HA CYS A 119 -11.574 8.289 -3.854 1.00 0.31 H new ATOM 0 HB2 CYS A 119 -9.154 7.985 -4.620 1.00 0.31 H new ATOM 0 HB3 CYS A 119 -8.679 8.281 -2.960 1.00 0.31 H new ATOM 1669 N GLU A 120 -12.057 8.344 -1.439 1.00 0.28 N ATOM 1670 CA GLU A 120 -12.479 8.458 -0.052 1.00 0.29 C ATOM 1671 C GLU A 120 -12.185 7.166 0.683 1.00 0.27 C ATOM 1672 O GLU A 120 -11.508 7.154 1.713 1.00 0.32 O ATOM 1673 CB GLU A 120 -13.983 8.737 0.018 1.00 0.29 C ATOM 1674 CG GLU A 120 -14.431 9.912 -0.828 1.00 0.31 C ATOM 1675 CD GLU A 120 -14.035 11.255 -0.240 1.00 0.36 C ATOM 1676 OE1 GLU A 120 -14.729 11.729 0.685 1.00 0.53 O ATOM 1677 OE2 GLU A 120 -13.047 11.854 -0.710 1.00 0.70 O ATOM 0 H GLU A 120 -12.655 7.745 -2.008 1.00 0.28 H new ATOM 0 HA GLU A 120 -11.933 9.279 0.412 1.00 0.29 H new ATOM 0 HB2 GLU A 120 -14.523 7.846 -0.301 1.00 0.29 H new ATOM 0 HB3 GLU A 120 -14.260 8.923 1.056 1.00 0.29 H new ATOM 0 HG2 GLU A 120 -14.002 9.818 -1.826 1.00 0.31 H new ATOM 0 HG3 GLU A 120 -15.514 9.877 -0.942 1.00 0.31 H new ATOM 1684 N ILE A 121 -12.699 6.075 0.139 1.00 0.21 N ATOM 1685 CA ILE A 121 -12.572 4.779 0.784 1.00 0.19 C ATOM 1686 C ILE A 121 -11.969 3.748 -0.171 1.00 0.15 C ATOM 1687 O ILE A 121 -11.811 4.002 -1.368 1.00 0.15 O ATOM 1688 CB ILE A 121 -13.944 4.260 1.292 1.00 0.21 C ATOM 1689 CG1 ILE A 121 -14.795 3.714 0.142 1.00 0.21 C ATOM 1690 CG2 ILE A 121 -14.709 5.365 2.004 1.00 0.27 C ATOM 1691 CD1 ILE A 121 -14.806 2.204 0.050 1.00 0.21 C ATOM 0 H ILE A 121 -13.207 6.061 -0.745 1.00 0.21 H new ATOM 0 HA ILE A 121 -11.908 4.913 1.638 1.00 0.19 H new ATOM 0 HB ILE A 121 -13.743 3.450 1.993 1.00 0.21 H new ATOM 0 HG12 ILE A 121 -15.819 4.068 0.261 1.00 0.21 H new ATOM 0 HG13 ILE A 121 -14.423 4.123 -0.798 1.00 0.21 H new ATOM 0 HG21 ILE A 121 -15.667 4.979 2.351 1.00 0.27 H new ATOM 0 HG22 ILE A 121 -14.129 5.718 2.857 1.00 0.27 H new ATOM 0 HG23 ILE A 121 -14.880 6.192 1.315 1.00 0.27 H new ATOM 0 HD11 ILE A 121 -15.430 1.895 -0.789 1.00 0.21 H new ATOM 0 HD12 ILE A 121 -13.789 1.841 -0.101 1.00 0.21 H new ATOM 0 HD13 ILE A 121 -15.207 1.786 0.974 1.00 0.21 H new ATOM 1703 N PHE A 122 -11.676 2.577 0.367 1.00 0.13 N ATOM 1704 CA PHE A 122 -11.140 1.472 -0.416 1.00 0.13 C ATOM 1705 C PHE A 122 -11.449 0.153 0.273 1.00 0.12 C ATOM 1706 O PHE A 122 -11.901 0.135 1.417 1.00 0.20 O ATOM 1707 CB PHE A 122 -9.625 1.614 -0.622 1.00 0.14 C ATOM 1708 CG PHE A 122 -8.834 1.724 0.651 1.00 0.15 C ATOM 1709 CD1 PHE A 122 -8.381 0.587 1.300 1.00 0.17 C ATOM 1710 CD2 PHE A 122 -8.539 2.964 1.192 1.00 0.15 C ATOM 1711 CE1 PHE A 122 -7.649 0.686 2.466 1.00 0.20 C ATOM 1712 CE2 PHE A 122 -7.808 3.069 2.358 1.00 0.18 C ATOM 1713 CZ PHE A 122 -7.363 1.929 2.996 1.00 0.20 C ATOM 0 H PHE A 122 -11.802 2.363 1.356 1.00 0.13 H new ATOM 0 HA PHE A 122 -11.615 1.491 -1.397 1.00 0.13 H new ATOM 0 HB2 PHE A 122 -9.265 0.754 -1.186 1.00 0.14 H new ATOM 0 HB3 PHE A 122 -9.435 2.497 -1.232 1.00 0.14 H new ATOM 0 HD1 PHE A 122 -8.603 -0.387 0.889 1.00 0.17 H new ATOM 0 HD2 PHE A 122 -8.885 3.859 0.696 1.00 0.15 H new ATOM 0 HE1 PHE A 122 -7.300 -0.207 2.963 1.00 0.20 H new ATOM 0 HE2 PHE A 122 -7.585 4.042 2.770 1.00 0.18 H new ATOM 0 HZ PHE A 122 -6.792 2.009 3.909 1.00 0.20 H new ATOM 1723 N THR A 123 -11.223 -0.942 -0.429 1.00 0.13 N ATOM 1724 CA THR A 123 -11.383 -2.275 0.141 1.00 0.13 C ATOM 1725 C THR A 123 -10.353 -3.227 -0.452 1.00 0.13 C ATOM 1726 O THR A 123 -10.164 -3.289 -1.663 1.00 0.22 O ATOM 1727 CB THR A 123 -12.804 -2.842 -0.094 1.00 0.15 C ATOM 1728 OG1 THR A 123 -13.787 -1.872 0.293 1.00 0.17 O ATOM 1729 CG2 THR A 123 -13.019 -4.126 0.707 1.00 0.16 C ATOM 0 H THR A 123 -10.925 -0.938 -1.405 1.00 0.13 H new ATOM 0 HA THR A 123 -11.231 -2.185 1.217 1.00 0.13 H new ATOM 0 HB THR A 123 -12.907 -3.069 -1.155 1.00 0.15 H new ATOM 0 HG1 THR A 123 -14.343 -1.644 -0.481 1.00 0.17 H new ATOM 0 HG21 THR A 123 -14.025 -4.504 0.525 1.00 0.16 H new ATOM 0 HG22 THR A 123 -12.288 -4.874 0.399 1.00 0.16 H new ATOM 0 HG23 THR A 123 -12.897 -3.917 1.770 1.00 0.16 H new ATOM 1737 N TYR A 124 -9.669 -3.937 0.417 1.00 0.12 N ATOM 1738 CA TYR A 124 -8.676 -4.902 0.016 1.00 0.12 C ATOM 1739 C TYR A 124 -9.221 -6.314 0.139 1.00 0.10 C ATOM 1740 O TYR A 124 -9.504 -6.794 1.230 1.00 0.09 O ATOM 1741 CB TYR A 124 -7.419 -4.749 0.865 1.00 0.13 C ATOM 1742 CG TYR A 124 -6.439 -5.889 0.713 1.00 0.13 C ATOM 1743 CD1 TYR A 124 -6.166 -6.742 1.772 1.00 0.15 C ATOM 1744 CD2 TYR A 124 -5.788 -6.110 -0.495 1.00 0.17 C ATOM 1745 CE1 TYR A 124 -5.270 -7.783 1.634 1.00 0.17 C ATOM 1746 CE2 TYR A 124 -4.893 -7.150 -0.642 1.00 0.20 C ATOM 1747 CZ TYR A 124 -4.639 -7.986 0.443 1.00 0.20 C ATOM 1748 OH TYR A 124 -3.747 -9.018 0.283 1.00 0.23 O ATOM 0 H TYR A 124 -9.788 -3.859 1.427 1.00 0.12 H new ATOM 0 HA TYR A 124 -8.422 -4.720 -1.028 1.00 0.12 H new ATOM 0 HB2 TYR A 124 -6.922 -3.817 0.597 1.00 0.13 H new ATOM 0 HB3 TYR A 124 -7.707 -4.667 1.913 1.00 0.13 H new ATOM 0 HD1 TYR A 124 -6.662 -6.589 2.719 1.00 0.15 H new ATOM 0 HD2 TYR A 124 -5.986 -5.457 -1.332 1.00 0.17 H new ATOM 0 HE1 TYR A 124 -5.069 -8.437 2.470 1.00 0.17 H new ATOM 0 HE2 TYR A 124 -4.396 -7.314 -1.587 1.00 0.20 H new ATOM 0 HH TYR A 124 -4.189 -9.765 -0.173 1.00 0.23 H new ATOM 1758 N ASN A 125 -9.382 -6.949 -0.995 1.00 0.13 N ATOM 1759 CA ASN A 125 -9.750 -8.340 -1.076 1.00 0.14 C ATOM 1760 C ASN A 125 -8.577 -9.201 -0.646 1.00 0.16 C ATOM 1761 O ASN A 125 -7.646 -9.429 -1.411 1.00 0.20 O ATOM 1762 CB ASN A 125 -10.162 -8.656 -2.517 1.00 0.20 C ATOM 1763 CG ASN A 125 -11.588 -8.246 -2.827 1.00 0.34 C ATOM 1764 OD1 ASN A 125 -12.241 -8.838 -3.682 1.00 0.66 O ATOM 1765 ND2 ASN A 125 -12.076 -7.227 -2.142 1.00 0.24 N ATOM 0 H ASN A 125 -9.259 -6.505 -1.905 1.00 0.13 H new ATOM 0 HA ASN A 125 -10.588 -8.551 -0.412 1.00 0.14 H new ATOM 0 HB2 ASN A 125 -9.486 -8.146 -3.203 1.00 0.20 H new ATOM 0 HB3 ASN A 125 -10.050 -9.725 -2.695 1.00 0.20 H new ATOM 0 HD21 ASN A 125 -13.028 -6.905 -2.315 1.00 0.24 H new ATOM 0 HD22 ASN A 125 -11.500 -6.762 -1.440 1.00 0.24 H new ATOM 1772 N GLU A 126 -8.636 -9.669 0.591 1.00 0.17 N ATOM 1773 CA GLU A 126 -7.585 -10.499 1.163 1.00 0.20 C ATOM 1774 C GLU A 126 -7.608 -11.878 0.517 1.00 0.23 C ATOM 1775 O GLU A 126 -6.729 -12.702 0.745 1.00 0.30 O ATOM 1776 CB GLU A 126 -7.777 -10.628 2.676 1.00 0.22 C ATOM 1777 CG GLU A 126 -8.387 -9.390 3.314 1.00 0.23 C ATOM 1778 CD GLU A 126 -8.228 -9.365 4.819 1.00 0.31 C ATOM 1779 OE1 GLU A 126 -8.820 -10.231 5.497 1.00 0.50 O ATOM 1780 OE2 GLU A 126 -7.518 -8.477 5.335 1.00 0.57 O ATOM 0 H GLU A 126 -9.412 -9.485 1.227 1.00 0.17 H new ATOM 0 HA GLU A 126 -6.620 -10.029 0.971 1.00 0.20 H new ATOM 0 HB2 GLU A 126 -8.416 -11.486 2.882 1.00 0.22 H new ATOM 0 HB3 GLU A 126 -6.812 -10.830 3.141 1.00 0.22 H new ATOM 0 HG2 GLU A 126 -7.920 -8.501 2.889 1.00 0.23 H new ATOM 0 HG3 GLU A 126 -9.447 -9.344 3.065 1.00 0.23 H new ATOM 1787 N HIS A 127 -8.640 -12.116 -0.279 1.00 0.21 N ATOM 1788 CA HIS A 127 -8.771 -13.355 -1.024 1.00 0.23 C ATOM 1789 C HIS A 127 -8.149 -13.215 -2.407 1.00 0.26 C ATOM 1790 O HIS A 127 -7.226 -13.941 -2.763 1.00 0.35 O ATOM 1791 CB HIS A 127 -10.249 -13.725 -1.141 1.00 0.25 C ATOM 1792 CG HIS A 127 -10.517 -14.968 -1.933 1.00 0.71 C ATOM 1793 ND1 HIS A 127 -10.974 -14.943 -3.233 1.00 1.26 N ATOM 1794 CD2 HIS A 127 -10.408 -16.274 -1.597 1.00 0.95 C ATOM 1795 CE1 HIS A 127 -11.136 -16.182 -3.661 1.00 1.74 C ATOM 1796 NE2 HIS A 127 -10.800 -17.008 -2.689 1.00 1.56 N ATOM 0 H HIS A 127 -9.406 -11.458 -0.425 1.00 0.21 H new ATOM 0 HA HIS A 127 -8.243 -14.147 -0.493 1.00 0.23 H new ATOM 0 HB2 HIS A 127 -10.659 -13.852 -0.139 1.00 0.25 H new ATOM 0 HB3 HIS A 127 -10.783 -12.894 -1.601 1.00 0.25 H new ATOM 0 HD1 HIS A 127 -11.158 -14.101 -3.778 1.00 1.26 H new ATOM 0 HD2 HIS A 127 -10.075 -16.666 -0.647 1.00 0.95 H new ATOM 0 HE1 HIS A 127 -11.485 -16.470 -4.642 1.00 1.74 H new ATOM 1804 N ASP A 128 -8.650 -12.256 -3.171 1.00 0.25 N ATOM 1805 CA ASP A 128 -8.208 -12.054 -4.549 1.00 0.29 C ATOM 1806 C ASP A 128 -6.898 -11.291 -4.603 1.00 0.27 C ATOM 1807 O ASP A 128 -6.327 -11.101 -5.675 1.00 0.32 O ATOM 1808 CB ASP A 128 -9.267 -11.292 -5.356 1.00 0.32 C ATOM 1809 CG ASP A 128 -10.541 -12.089 -5.560 1.00 0.72 C ATOM 1810 OD1 ASP A 128 -10.942 -12.283 -6.727 1.00 0.72 O ATOM 1811 OD2 ASP A 128 -11.141 -12.540 -4.561 1.00 1.33 O ATOM 0 H ASP A 128 -9.367 -11.600 -2.861 1.00 0.25 H new ATOM 0 HA ASP A 128 -8.060 -13.041 -4.986 1.00 0.29 H new ATOM 0 HB2 ASP A 128 -9.506 -10.360 -4.844 1.00 0.32 H new ATOM 0 HB3 ASP A 128 -8.853 -11.024 -6.328 1.00 0.32 H new ATOM 1816 N GLN A 129 -6.438 -10.853 -3.431 1.00 0.21 N ATOM 1817 CA GLN A 129 -5.235 -10.028 -3.319 1.00 0.21 C ATOM 1818 C GLN A 129 -5.450 -8.737 -4.093 1.00 0.18 C ATOM 1819 O GLN A 129 -4.599 -8.318 -4.864 1.00 0.18 O ATOM 1820 CB GLN A 129 -3.990 -10.752 -3.863 1.00 0.30 C ATOM 1821 CG GLN A 129 -3.720 -12.119 -3.251 1.00 0.53 C ATOM 1822 CD GLN A 129 -3.675 -12.101 -1.740 1.00 0.72 C ATOM 1823 OE1 GLN A 129 -2.636 -11.834 -1.134 1.00 1.75 O ATOM 1824 NE2 GLN A 129 -4.791 -12.435 -1.123 1.00 0.69 N ATOM 0 H GLN A 129 -6.885 -11.058 -2.538 1.00 0.21 H new ATOM 0 HA GLN A 129 -5.061 -9.820 -2.263 1.00 0.21 H new ATOM 0 HB2 GLN A 129 -4.099 -10.869 -4.941 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -3.119 -10.118 -3.697 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -4.494 -12.814 -3.576 1.00 0.53 H new ATOM 0 HG3 GLN A 129 -2.771 -12.498 -3.631 1.00 0.53 H new ATOM 0 HE21 GLN A 129 -5.629 -12.648 -1.664 1.00 0.69 H new ATOM 0 HE22 GLN A 129 -4.817 -12.480 -0.104 1.00 0.69 H new ATOM 1833 N LYS A 130 -6.592 -8.108 -3.889 1.00 0.17 N ATOM 1834 CA LYS A 130 -7.002 -7.030 -4.767 1.00 0.16 C ATOM 1835 C LYS A 130 -7.540 -5.833 -3.992 1.00 0.18 C ATOM 1836 O LYS A 130 -8.186 -5.984 -2.973 1.00 0.26 O ATOM 1837 CB LYS A 130 -8.072 -7.546 -5.719 1.00 0.18 C ATOM 1838 CG LYS A 130 -8.174 -6.750 -7.007 1.00 0.18 C ATOM 1839 CD LYS A 130 -9.491 -6.994 -7.725 1.00 0.22 C ATOM 1840 CE LYS A 130 -10.663 -6.434 -6.935 1.00 0.26 C ATOM 1841 NZ LYS A 130 -11.951 -6.568 -7.667 1.00 1.15 N ATOM 0 H LYS A 130 -7.244 -8.321 -3.134 1.00 0.17 H new ATOM 0 HA LYS A 130 -6.126 -6.693 -5.321 1.00 0.16 H new ATOM 0 HB2 LYS A 130 -7.860 -8.587 -5.961 1.00 0.18 H new ATOM 0 HB3 LYS A 130 -9.037 -7.527 -5.212 1.00 0.18 H new ATOM 0 HG2 LYS A 130 -8.074 -5.688 -6.785 1.00 0.18 H new ATOM 0 HG3 LYS A 130 -7.347 -7.018 -7.665 1.00 0.18 H new ATOM 0 HD2 LYS A 130 -9.461 -6.532 -8.712 1.00 0.22 H new ATOM 0 HD3 LYS A 130 -9.631 -8.064 -7.878 1.00 0.22 H new ATOM 0 HE2 LYS A 130 -10.735 -6.953 -5.979 1.00 0.26 H new ATOM 0 HE3 LYS A 130 -10.480 -5.382 -6.714 1.00 0.26 H new ATOM 0 HZ1 LYS A 130 -12.721 -6.173 -7.090 1.00 1.15 H new ATOM 0 HZ2 LYS A 130 -11.894 -6.052 -8.568 1.00 1.15 H new ATOM 0 HZ3 LYS A 130 -12.140 -7.573 -7.855 1.00 1.15 H new ATOM 1855 N CYS A 131 -7.277 -4.650 -4.501 1.00 0.16 N ATOM 1856 CA CYS A 131 -7.795 -3.425 -3.924 1.00 0.16 C ATOM 1857 C CYS A 131 -8.928 -2.901 -4.778 1.00 0.14 C ATOM 1858 O CYS A 131 -8.906 -3.045 -5.994 1.00 0.20 O ATOM 1859 CB CYS A 131 -6.721 -2.346 -3.873 1.00 0.20 C ATOM 1860 SG CYS A 131 -5.190 -2.813 -3.014 1.00 0.26 S ATOM 0 H CYS A 131 -6.697 -4.508 -5.328 1.00 0.16 H new ATOM 0 HA CYS A 131 -8.136 -3.653 -2.914 1.00 0.16 H new ATOM 0 HB2 CYS A 131 -6.471 -2.057 -4.894 1.00 0.20 H new ATOM 0 HB3 CYS A 131 -7.138 -1.465 -3.385 1.00 0.20 H new ATOM 1865 N THR A 132 -9.903 -2.297 -4.143 1.00 0.17 N ATOM 1866 CA THR A 132 -10.952 -1.588 -4.844 1.00 0.18 C ATOM 1867 C THR A 132 -11.078 -0.185 -4.268 1.00 0.19 C ATOM 1868 O THR A 132 -11.033 -0.008 -3.052 1.00 0.25 O ATOM 1869 CB THR A 132 -12.303 -2.320 -4.743 1.00 0.20 C ATOM 1870 OG1 THR A 132 -12.596 -2.638 -3.376 1.00 0.22 O ATOM 1871 CG2 THR A 132 -12.301 -3.592 -5.576 1.00 0.25 C ATOM 0 H THR A 132 -9.994 -2.282 -3.127 1.00 0.17 H new ATOM 0 HA THR A 132 -10.684 -1.539 -5.900 1.00 0.18 H new ATOM 0 HB THR A 132 -13.073 -1.654 -5.131 1.00 0.20 H new ATOM 0 HG1 THR A 132 -13.458 -3.102 -3.325 1.00 0.22 H new ATOM 0 HG21 THR A 132 -13.268 -4.088 -5.485 1.00 0.25 H new ATOM 0 HG22 THR A 132 -12.118 -3.342 -6.621 1.00 0.25 H new ATOM 0 HG23 THR A 132 -11.516 -4.259 -5.219 1.00 0.25 H new ATOM 1879 N PHE A 133 -11.207 0.810 -5.130 1.00 0.17 N ATOM 1880 CA PHE A 133 -11.255 2.193 -4.678 1.00 0.18 C ATOM 1881 C PHE A 133 -12.591 2.815 -5.037 1.00 0.18 C ATOM 1882 O PHE A 133 -12.969 2.866 -6.209 1.00 0.20 O ATOM 1883 CB PHE A 133 -10.113 2.975 -5.319 1.00 0.19 C ATOM 1884 CG PHE A 133 -8.780 2.309 -5.133 1.00 0.18 C ATOM 1885 CD1 PHE A 133 -8.198 1.584 -6.162 1.00 0.18 C ATOM 1886 CD2 PHE A 133 -8.120 2.394 -3.923 1.00 0.19 C ATOM 1887 CE1 PHE A 133 -6.980 0.959 -5.984 1.00 0.18 C ATOM 1888 CE2 PHE A 133 -6.903 1.773 -3.739 1.00 0.19 C ATOM 1889 CZ PHE A 133 -6.332 1.054 -4.770 1.00 0.18 C ATOM 0 H PHE A 133 -11.280 0.689 -6.140 1.00 0.17 H new ATOM 0 HA PHE A 133 -11.144 2.224 -3.594 1.00 0.18 H new ATOM 0 HB2 PHE A 133 -10.311 3.092 -6.385 1.00 0.19 H new ATOM 0 HB3 PHE A 133 -10.078 3.976 -4.890 1.00 0.19 H new ATOM 0 HD1 PHE A 133 -8.703 1.507 -7.113 1.00 0.18 H new ATOM 0 HD2 PHE A 133 -8.562 2.953 -3.112 1.00 0.19 H new ATOM 0 HE1 PHE A 133 -6.536 0.397 -6.793 1.00 0.18 H new ATOM 0 HE2 PHE A 133 -6.396 1.849 -2.788 1.00 0.19 H new ATOM 0 HZ PHE A 133 -5.379 0.566 -4.626 1.00 0.18 H new ATOM 1899 N LYS A 134 -13.288 3.317 -4.032 1.00 0.18 N ATOM 1900 CA LYS A 134 -14.656 3.789 -4.196 1.00 0.20 C ATOM 1901 C LYS A 134 -14.822 5.156 -3.549 1.00 0.21 C ATOM 1902 O LYS A 134 -14.154 5.477 -2.563 1.00 0.20 O ATOM 1903 CB LYS A 134 -15.647 2.787 -3.590 1.00 0.21 C ATOM 1904 CG LYS A 134 -16.034 1.632 -4.520 1.00 0.26 C ATOM 1905 CD LYS A 134 -14.864 0.739 -4.889 1.00 0.55 C ATOM 1906 CE LYS A 134 -15.326 -0.503 -5.632 1.00 0.56 C ATOM 1907 NZ LYS A 134 -16.315 -0.202 -6.704 1.00 0.72 N ATOM 0 H LYS A 134 -12.926 3.409 -3.083 1.00 0.18 H new ATOM 0 HA LYS A 134 -14.866 3.879 -5.262 1.00 0.20 H new ATOM 0 HB2 LYS A 134 -15.214 2.373 -2.679 1.00 0.21 H new ATOM 0 HB3 LYS A 134 -16.552 3.321 -3.299 1.00 0.21 H new ATOM 0 HG2 LYS A 134 -16.804 1.029 -4.038 1.00 0.26 H new ATOM 0 HG3 LYS A 134 -16.472 2.040 -5.431 1.00 0.26 H new ATOM 0 HD2 LYS A 134 -14.161 1.295 -5.509 1.00 0.55 H new ATOM 0 HD3 LYS A 134 -14.329 0.446 -3.986 1.00 0.55 H new ATOM 0 HE2 LYS A 134 -14.461 -1.000 -6.071 1.00 0.56 H new ATOM 0 HE3 LYS A 134 -15.769 -1.202 -4.922 1.00 0.56 H new ATOM 0 HZ1 LYS A 134 -17.062 -0.925 -6.700 1.00 0.72 H new ATOM 0 HZ2 LYS A 134 -16.737 0.733 -6.534 1.00 0.72 H new ATOM 0 HZ3 LYS A 134 -15.837 -0.203 -7.628 1.00 0.72 H new ATOM 1921 N GLY A 135 -15.697 5.964 -4.122 1.00 0.25 N ATOM 1922 CA GLY A 135 -15.899 7.305 -3.624 1.00 0.29 C ATOM 1923 C GLY A 135 -17.084 7.411 -2.695 1.00 0.31 C ATOM 1924 O GLY A 135 -17.527 6.416 -2.119 1.00 0.35 O ATOM 0 H GLY A 135 -16.273 5.714 -4.926 1.00 0.25 H new ATOM 0 HA2 GLY A 135 -15.001 7.632 -3.099 1.00 0.29 H new ATOM 0 HA3 GLY A 135 -16.041 7.983 -4.466 1.00 0.29 H new ATOM 1928 N ARG A 136 -17.599 8.624 -2.559 1.00 0.33 N ATOM 1929 CA ARG A 136 -18.715 8.894 -1.667 1.00 0.40 C ATOM 1930 C ARG A 136 -19.974 8.175 -2.128 1.00 0.39 C ATOM 1931 O ARG A 136 -20.173 7.956 -3.325 1.00 0.43 O ATOM 1932 CB ARG A 136 -18.952 10.390 -1.563 1.00 0.51 C ATOM 1933 CG ARG A 136 -17.763 11.116 -0.970 1.00 0.55 C ATOM 1934 CD ARG A 136 -18.151 12.476 -0.454 1.00 1.03 C ATOM 1935 NE ARG A 136 -17.017 13.166 0.158 1.00 1.91 N ATOM 1936 CZ ARG A 136 -17.009 14.461 0.461 1.00 2.55 C ATOM 1937 NH1 ARG A 136 -18.053 15.226 0.157 1.00 2.53 N ATOM 1938 NH2 ARG A 136 -15.947 14.995 1.049 1.00 3.44 N ATOM 0 H ARG A 136 -17.257 9.444 -3.061 1.00 0.33 H new ATOM 0 HA ARG A 136 -18.463 8.512 -0.678 1.00 0.40 H new ATOM 0 HB2 ARG A 136 -19.165 10.792 -2.553 1.00 0.51 H new ATOM 0 HB3 ARG A 136 -19.833 10.575 -0.948 1.00 0.51 H new ATOM 0 HG2 ARG A 136 -17.341 10.524 -0.158 1.00 0.55 H new ATOM 0 HG3 ARG A 136 -16.985 11.220 -1.726 1.00 0.55 H new ATOM 0 HD2 ARG A 136 -18.544 13.078 -1.274 1.00 1.03 H new ATOM 0 HD3 ARG A 136 -18.952 12.373 0.278 1.00 1.03 H new ATOM 0 HE ARG A 136 -16.180 12.621 0.365 1.00 1.91 H new ATOM 0 HH11 ARG A 136 -18.864 14.820 -0.310 1.00 2.53 H new ATOM 0 HH12 ARG A 136 -18.043 16.219 0.391 1.00 2.53 H new ATOM 0 HH21 ARG A 136 -15.139 14.413 1.268 1.00 3.44 H new ATOM 0 HH22 ARG A 136 -15.939 15.988 1.282 1.00 3.44 H new ATOM 1952 N GLY A 137 -20.818 7.809 -1.175 1.00 0.37 N ATOM 1953 CA GLY A 137 -21.980 7.001 -1.484 1.00 0.37 C ATOM 1954 C GLY A 137 -21.713 5.537 -1.208 1.00 0.33 C ATOM 1955 O GLY A 137 -22.571 4.677 -1.409 1.00 0.35 O ATOM 0 H GLY A 137 -20.719 8.058 -0.191 1.00 0.37 H new ATOM 0 HA2 GLY A 137 -22.830 7.338 -0.890 1.00 0.37 H new ATOM 0 HA3 GLY A 137 -22.251 7.134 -2.531 1.00 0.37 H new ATOM 1959 N PHE A 138 -20.510 5.271 -0.721 1.00 0.31 N ATOM 1960 CA PHE A 138 -20.046 3.921 -0.450 1.00 0.30 C ATOM 1961 C PHE A 138 -20.904 3.223 0.605 1.00 0.35 C ATOM 1962 O PHE A 138 -21.080 2.009 0.559 1.00 0.38 O ATOM 1963 CB PHE A 138 -18.577 3.968 -0.006 1.00 0.29 C ATOM 1964 CG PHE A 138 -18.335 4.816 1.219 1.00 0.33 C ATOM 1965 CD1 PHE A 138 -18.139 6.183 1.108 1.00 0.36 C ATOM 1966 CD2 PHE A 138 -18.302 4.240 2.480 1.00 0.38 C ATOM 1967 CE1 PHE A 138 -17.912 6.960 2.230 1.00 0.42 C ATOM 1968 CE2 PHE A 138 -18.076 5.011 3.605 1.00 0.43 C ATOM 1969 CZ PHE A 138 -17.897 6.384 3.475 1.00 0.44 C ATOM 0 H PHE A 138 -19.824 5.993 -0.501 1.00 0.31 H new ATOM 0 HA PHE A 138 -20.134 3.339 -1.367 1.00 0.30 H new ATOM 0 HB2 PHE A 138 -18.235 2.952 0.194 1.00 0.29 H new ATOM 0 HB3 PHE A 138 -17.972 4.352 -0.827 1.00 0.29 H new ATOM 0 HD1 PHE A 138 -18.164 6.648 0.133 1.00 0.36 H new ATOM 0 HD2 PHE A 138 -18.455 3.176 2.584 1.00 0.38 H new ATOM 0 HE1 PHE A 138 -17.746 8.022 2.126 1.00 0.42 H new ATOM 0 HE2 PHE A 138 -18.039 4.549 4.581 1.00 0.43 H new ATOM 0 HZ PHE A 138 -17.746 6.996 4.352 1.00 0.44 H new ATOM 1979 N SER A 139 -21.457 3.990 1.537 1.00 0.41 N ATOM 1980 CA SER A 139 -22.240 3.421 2.627 1.00 0.50 C ATOM 1981 C SER A 139 -23.556 2.843 2.106 1.00 0.44 C ATOM 1982 O SER A 139 -24.155 1.970 2.734 1.00 0.49 O ATOM 1983 CB SER A 139 -22.510 4.481 3.699 1.00 0.60 C ATOM 1984 OG SER A 139 -23.051 3.903 4.877 1.00 1.47 O ATOM 0 H SER A 139 -21.378 5.007 1.560 1.00 0.41 H new ATOM 0 HA SER A 139 -21.665 2.610 3.074 1.00 0.50 H new ATOM 0 HB2 SER A 139 -21.583 5.001 3.940 1.00 0.60 H new ATOM 0 HB3 SER A 139 -23.201 5.228 3.308 1.00 0.60 H new ATOM 0 HG SER A 139 -23.211 4.605 5.542 1.00 1.47 H new ATOM 1990 N ALA A 140 -23.993 3.320 0.948 1.00 0.37 N ATOM 1991 CA ALA A 140 -25.211 2.826 0.327 1.00 0.38 C ATOM 1992 C ALA A 140 -24.941 1.514 -0.385 1.00 0.39 C ATOM 1993 O ALA A 140 -25.850 0.728 -0.647 1.00 0.53 O ATOM 1994 CB ALA A 140 -25.740 3.844 -0.657 1.00 0.39 C ATOM 0 H ALA A 140 -23.518 4.052 0.419 1.00 0.37 H new ATOM 0 HA ALA A 140 -25.957 2.660 1.104 1.00 0.38 H new ATOM 0 HB1 ALA A 140 -26.653 3.465 -1.117 1.00 0.39 H new ATOM 0 HB2 ALA A 140 -25.957 4.776 -0.135 1.00 0.39 H new ATOM 0 HB3 ALA A 140 -24.993 4.026 -1.429 1.00 0.39 H new ATOM 2000 N PHE A 141 -23.678 1.294 -0.697 1.00 0.31 N ATOM 2001 CA PHE A 141 -23.250 0.104 -1.403 1.00 0.30 C ATOM 2002 C PHE A 141 -22.325 -0.707 -0.514 1.00 0.30 C ATOM 2003 O PHE A 141 -21.384 -1.351 -0.977 1.00 0.31 O ATOM 2004 CB PHE A 141 -22.543 0.507 -2.690 1.00 0.28 C ATOM 2005 CG PHE A 141 -23.431 1.249 -3.649 1.00 0.28 C ATOM 2006 CD1 PHE A 141 -24.374 0.571 -4.403 1.00 0.30 C ATOM 2007 CD2 PHE A 141 -23.318 2.623 -3.801 1.00 0.29 C ATOM 2008 CE1 PHE A 141 -25.192 1.246 -5.287 1.00 0.33 C ATOM 2009 CE2 PHE A 141 -24.133 3.304 -4.684 1.00 0.31 C ATOM 2010 CZ PHE A 141 -25.074 2.626 -5.416 1.00 0.32 C ATOM 0 H PHE A 141 -22.920 1.937 -0.467 1.00 0.31 H new ATOM 0 HA PHE A 141 -24.115 -0.509 -1.656 1.00 0.30 H new ATOM 0 HB2 PHE A 141 -21.684 1.131 -2.444 1.00 0.28 H new ATOM 0 HB3 PHE A 141 -22.158 -0.387 -3.180 1.00 0.28 H new ATOM 0 HD1 PHE A 141 -24.471 -0.500 -4.298 1.00 0.30 H new ATOM 0 HD2 PHE A 141 -22.585 3.166 -3.223 1.00 0.29 H new ATOM 0 HE1 PHE A 141 -25.919 0.706 -5.875 1.00 0.33 H new ATOM 0 HE2 PHE A 141 -24.029 4.373 -4.798 1.00 0.31 H new ATOM 0 HZ PHE A 141 -25.723 3.163 -6.092 1.00 0.32 H new ATOM 2020 N LYS A 142 -22.600 -0.643 0.772 1.00 0.31 N ATOM 2021 CA LYS A 142 -21.773 -1.293 1.773 1.00 0.30 C ATOM 2022 C LYS A 142 -22.252 -2.712 2.063 1.00 0.28 C ATOM 2023 O LYS A 142 -23.450 -2.961 2.194 1.00 0.35 O ATOM 2024 CB LYS A 142 -21.793 -0.464 3.049 1.00 0.32 C ATOM 2025 CG LYS A 142 -20.950 -1.033 4.171 1.00 0.37 C ATOM 2026 CD LYS A 142 -20.981 -0.120 5.378 1.00 0.38 C ATOM 2027 CE LYS A 142 -20.048 -0.608 6.465 1.00 0.46 C ATOM 2028 NZ LYS A 142 -20.044 0.301 7.642 1.00 0.50 N ATOM 0 H LYS A 142 -23.401 -0.141 1.155 1.00 0.31 H new ATOM 0 HA LYS A 142 -20.756 -1.364 1.388 1.00 0.30 H new ATOM 0 HB2 LYS A 142 -21.443 0.543 2.821 1.00 0.32 H new ATOM 0 HB3 LYS A 142 -22.823 -0.373 3.394 1.00 0.32 H new ATOM 0 HG2 LYS A 142 -21.320 -2.021 4.446 1.00 0.37 H new ATOM 0 HG3 LYS A 142 -19.922 -1.161 3.832 1.00 0.37 H new ATOM 0 HD2 LYS A 142 -20.698 0.889 5.080 1.00 0.38 H new ATOM 0 HD3 LYS A 142 -21.998 -0.064 5.767 1.00 0.38 H new ATOM 0 HE2 LYS A 142 -20.348 -1.608 6.779 1.00 0.46 H new ATOM 0 HE3 LYS A 142 -19.037 -0.690 6.066 1.00 0.46 H new ATOM 0 HZ1 LYS A 142 -19.393 -0.068 8.364 1.00 0.50 H new ATOM 0 HZ2 LYS A 142 -19.733 1.249 7.348 1.00 0.50 H new ATOM 0 HZ3 LYS A 142 -21.004 0.359 8.039 1.00 0.50 H new ATOM 2042 N GLU A 143 -21.306 -3.633 2.169 1.00 0.25 N ATOM 2043 CA GLU A 143 -21.606 -5.017 2.505 1.00 0.25 C ATOM 2044 C GLU A 143 -20.842 -5.410 3.762 1.00 0.23 C ATOM 2045 O GLU A 143 -19.616 -5.399 3.766 1.00 0.23 O ATOM 2046 CB GLU A 143 -21.210 -5.939 1.347 1.00 0.29 C ATOM 2047 CG GLU A 143 -22.022 -7.219 1.284 1.00 0.33 C ATOM 2048 CD GLU A 143 -21.664 -8.079 0.089 1.00 0.43 C ATOM 2049 OE1 GLU A 143 -21.369 -9.278 0.276 1.00 0.73 O ATOM 2050 OE2 GLU A 143 -21.655 -7.554 -1.043 1.00 0.52 O ATOM 0 H GLU A 143 -20.314 -3.444 2.025 1.00 0.25 H new ATOM 0 HA GLU A 143 -22.677 -5.118 2.683 1.00 0.25 H new ATOM 0 HB2 GLU A 143 -21.326 -5.399 0.408 1.00 0.29 H new ATOM 0 HB3 GLU A 143 -20.154 -6.193 1.441 1.00 0.29 H new ATOM 0 HG2 GLU A 143 -21.864 -7.791 2.199 1.00 0.33 H new ATOM 0 HG3 GLU A 143 -23.082 -6.970 1.243 1.00 0.33 H new ATOM 2057 N ARG A 144 -21.554 -5.736 4.829 1.00 0.23 N ATOM 2058 CA ARG A 144 -20.913 -6.096 6.089 1.00 0.23 C ATOM 2059 C ARG A 144 -20.812 -7.608 6.228 1.00 0.23 C ATOM 2060 O ARG A 144 -21.697 -8.336 5.777 1.00 0.29 O ATOM 2061 CB ARG A 144 -21.679 -5.529 7.289 1.00 0.30 C ATOM 2062 CG ARG A 144 -21.700 -4.009 7.360 1.00 0.35 C ATOM 2063 CD ARG A 144 -22.705 -3.406 6.390 1.00 0.34 C ATOM 2064 NE ARG A 144 -24.080 -3.789 6.715 1.00 0.49 N ATOM 2065 CZ ARG A 144 -25.123 -3.611 5.903 1.00 0.57 C ATOM 2066 NH1 ARG A 144 -24.952 -3.078 4.700 1.00 0.71 N ATOM 2067 NH2 ARG A 144 -26.339 -3.976 6.294 1.00 0.77 N ATOM 0 H ARG A 144 -22.574 -5.760 4.851 1.00 0.23 H new ATOM 0 HA ARG A 144 -19.912 -5.664 6.077 1.00 0.23 H new ATOM 0 HB2 ARG A 144 -22.706 -5.893 7.254 1.00 0.30 H new ATOM 0 HB3 ARG A 144 -21.234 -5.917 8.205 1.00 0.30 H new ATOM 0 HG2 ARG A 144 -21.944 -3.697 8.375 1.00 0.35 H new ATOM 0 HG3 ARG A 144 -20.705 -3.622 7.138 1.00 0.35 H new ATOM 0 HD2 ARG A 144 -22.618 -2.320 6.407 1.00 0.34 H new ATOM 0 HD3 ARG A 144 -22.469 -3.729 5.376 1.00 0.34 H new ATOM 0 HE ARG A 144 -24.252 -4.221 7.623 1.00 0.49 H new ATOM 0 HH11 ARG A 144 -24.019 -2.802 4.392 1.00 0.71 H new ATOM 0 HH12 ARG A 144 -25.753 -2.944 4.083 1.00 0.71 H new ATOM 0 HH21 ARG A 144 -26.475 -4.392 7.215 1.00 0.77 H new ATOM 0 HH22 ARG A 144 -27.137 -3.840 5.673 1.00 0.77 H new ATOM 2081 N GLY A 145 -19.729 -8.074 6.837 1.00 0.21 N ATOM 2082 CA GLY A 145 -19.573 -9.494 7.074 1.00 0.25 C ATOM 2083 C GLY A 145 -19.046 -10.204 5.850 1.00 0.22 C ATOM 2084 O GLY A 145 -19.434 -11.334 5.556 1.00 0.25 O ATOM 0 H GLY A 145 -18.958 -7.495 7.170 1.00 0.21 H new ATOM 0 HA2 GLY A 145 -18.891 -9.652 7.909 1.00 0.25 H new ATOM 0 HA3 GLY A 145 -20.533 -9.924 7.360 1.00 0.25 H new ATOM 2088 N VAL A 146 -18.170 -9.529 5.128 1.00 0.19 N ATOM 2089 CA VAL A 146 -17.595 -10.075 3.913 1.00 0.18 C ATOM 2090 C VAL A 146 -16.213 -10.646 4.194 1.00 0.17 C ATOM 2091 O VAL A 146 -15.256 -9.905 4.407 1.00 0.17 O ATOM 2092 CB VAL A 146 -17.496 -8.996 2.815 1.00 0.16 C ATOM 2093 CG1 VAL A 146 -17.006 -9.589 1.503 1.00 0.17 C ATOM 2094 CG2 VAL A 146 -18.838 -8.313 2.622 1.00 0.20 C ATOM 0 H VAL A 146 -17.839 -8.594 5.365 1.00 0.19 H new ATOM 0 HA VAL A 146 -18.250 -10.871 3.560 1.00 0.18 H new ATOM 0 HB VAL A 146 -16.768 -8.252 3.138 1.00 0.16 H new ATOM 0 HG11 VAL A 146 -16.947 -8.804 0.749 1.00 0.17 H new ATOM 0 HG12 VAL A 146 -16.019 -10.028 1.648 1.00 0.17 H new ATOM 0 HG13 VAL A 146 -17.701 -10.360 1.170 1.00 0.17 H new ATOM 0 HG21 VAL A 146 -18.752 -7.554 1.844 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -19.583 -9.052 2.327 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -19.144 -7.842 3.556 1.00 0.20 H new ATOM 2104 N LEU A 147 -16.116 -11.963 4.229 1.00 0.21 N ATOM 2105 CA LEU A 147 -14.837 -12.610 4.447 1.00 0.22 C ATOM 2106 C LEU A 147 -13.929 -12.418 3.253 1.00 0.21 C ATOM 2107 O LEU A 147 -14.353 -12.547 2.102 1.00 0.23 O ATOM 2108 CB LEU A 147 -15.010 -14.094 4.722 1.00 0.29 C ATOM 2109 CG LEU A 147 -15.795 -14.423 5.987 1.00 0.35 C ATOM 2110 CD1 LEU A 147 -15.889 -15.926 6.185 1.00 0.41 C ATOM 2111 CD2 LEU A 147 -15.145 -13.759 7.191 1.00 0.37 C ATOM 0 H LEU A 147 -16.903 -12.601 4.110 1.00 0.21 H new ATOM 0 HA LEU A 147 -14.381 -12.145 5.321 1.00 0.22 H new ATOM 0 HB2 LEU A 147 -15.513 -14.551 3.870 1.00 0.29 H new ATOM 0 HB3 LEU A 147 -14.024 -14.553 4.793 1.00 0.29 H new ATOM 0 HG LEU A 147 -16.808 -14.035 5.881 1.00 0.35 H new ATOM 0 HD11 LEU A 147 -16.453 -16.139 7.093 1.00 0.41 H new ATOM 0 HD12 LEU A 147 -16.395 -16.375 5.330 1.00 0.41 H new ATOM 0 HD13 LEU A 147 -14.887 -16.345 6.274 1.00 0.41 H new ATOM 0 HD21 LEU A 147 -15.713 -14.000 8.090 1.00 0.37 H new ATOM 0 HD22 LEU A 147 -14.123 -14.122 7.299 1.00 0.37 H new ATOM 0 HD23 LEU A 147 -15.133 -12.678 7.048 1.00 0.37 H new ATOM 2123 N GLY A 148 -12.686 -12.096 3.535 1.00 0.22 N ATOM 2124 CA GLY A 148 -11.714 -11.951 2.488 1.00 0.24 C ATOM 2125 C GLY A 148 -11.605 -10.538 1.987 1.00 0.19 C ATOM 2126 O GLY A 148 -11.137 -10.320 0.873 1.00 0.19 O ATOM 0 H GLY A 148 -12.331 -11.931 4.477 1.00 0.22 H new ATOM 0 HA2 GLY A 148 -10.741 -12.278 2.854 1.00 0.24 H new ATOM 0 HA3 GLY A 148 -11.979 -12.606 1.659 1.00 0.24 H new ATOM 2130 N VAL A 149 -12.052 -9.575 2.783 1.00 0.17 N ATOM 2131 CA VAL A 149 -11.905 -8.172 2.422 1.00 0.13 C ATOM 2132 C VAL A 149 -11.642 -7.302 3.644 1.00 0.13 C ATOM 2133 O VAL A 149 -12.025 -7.636 4.768 1.00 0.17 O ATOM 2134 CB VAL A 149 -13.136 -7.616 1.680 1.00 0.13 C ATOM 2135 CG1 VAL A 149 -13.422 -8.398 0.412 1.00 0.15 C ATOM 2136 CG2 VAL A 149 -14.341 -7.607 2.586 1.00 0.15 C ATOM 0 H VAL A 149 -12.516 -9.738 3.677 1.00 0.17 H new ATOM 0 HA VAL A 149 -11.047 -8.135 1.751 1.00 0.13 H new ATOM 0 HB VAL A 149 -12.913 -6.589 1.389 1.00 0.13 H new ATOM 0 HG11 VAL A 149 -14.296 -7.978 -0.085 1.00 0.15 H new ATOM 0 HG12 VAL A 149 -12.562 -8.337 -0.255 1.00 0.15 H new ATOM 0 HG13 VAL A 149 -13.614 -9.441 0.663 1.00 0.15 H new ATOM 0 HG21 VAL A 149 -15.200 -7.211 2.045 1.00 0.15 H new ATOM 0 HG22 VAL A 149 -14.556 -8.624 2.915 1.00 0.15 H new ATOM 0 HG23 VAL A 149 -14.139 -6.980 3.454 1.00 0.15 H new ATOM 2146 N THR A 150 -10.983 -6.190 3.394 1.00 0.13 N ATOM 2147 CA THR A 150 -10.674 -5.198 4.406 1.00 0.15 C ATOM 2148 C THR A 150 -10.844 -3.801 3.820 1.00 0.14 C ATOM 2149 O THR A 150 -10.193 -3.458 2.846 1.00 0.15 O ATOM 2150 CB THR A 150 -9.227 -5.371 4.916 1.00 0.17 C ATOM 2151 OG1 THR A 150 -9.153 -6.467 5.838 1.00 0.20 O ATOM 2152 CG2 THR A 150 -8.719 -4.097 5.572 1.00 0.19 C ATOM 0 H THR A 150 -10.640 -5.944 2.465 1.00 0.13 H new ATOM 0 HA THR A 150 -11.357 -5.332 5.245 1.00 0.15 H new ATOM 0 HB THR A 150 -8.591 -5.585 4.057 1.00 0.17 H new ATOM 0 HG1 THR A 150 -8.307 -6.945 5.711 1.00 0.20 H new ATOM 0 HG21 THR A 150 -7.698 -4.250 5.921 1.00 0.19 H new ATOM 0 HG22 THR A 150 -8.737 -3.283 4.848 1.00 0.19 H new ATOM 0 HG23 THR A 150 -9.358 -3.844 6.418 1.00 0.19 H new ATOM 2160 N SER A 151 -11.694 -2.990 4.411 1.00 0.15 N ATOM 2161 CA SER A 151 -11.972 -1.680 3.852 1.00 0.16 C ATOM 2162 C SER A 151 -11.306 -0.588 4.669 1.00 0.20 C ATOM 2163 O SER A 151 -10.954 -0.797 5.820 1.00 0.45 O ATOM 2164 CB SER A 151 -13.480 -1.444 3.784 1.00 0.20 C ATOM 2165 OG SER A 151 -14.055 -1.413 5.076 1.00 1.06 O ATOM 0 H SER A 151 -12.201 -3.208 5.269 1.00 0.15 H new ATOM 0 HA SER A 151 -11.562 -1.647 2.842 1.00 0.16 H new ATOM 0 HB2 SER A 151 -13.680 -0.503 3.272 1.00 0.20 H new ATOM 0 HB3 SER A 151 -13.947 -2.233 3.195 1.00 0.20 H new ATOM 0 HG SER A 151 -13.575 -2.034 5.663 1.00 1.06 H new ATOM 2171 N GLY A 152 -11.104 0.560 4.054 1.00 0.14 N ATOM 2172 CA GLY A 152 -10.525 1.684 4.752 1.00 0.15 C ATOM 2173 C GLY A 152 -11.122 2.986 4.280 1.00 0.13 C ATOM 2174 O GLY A 152 -10.971 3.351 3.118 1.00 0.15 O ATOM 0 H GLY A 152 -11.332 0.736 3.076 1.00 0.14 H new ATOM 0 HA2 GLY A 152 -10.689 1.573 5.824 1.00 0.15 H new ATOM 0 HA3 GLY A 152 -9.447 1.697 4.594 1.00 0.15 H new ATOM 2178 N PRO A 153 -11.842 3.690 5.150 1.00 0.16 N ATOM 2179 CA PRO A 153 -12.489 4.941 4.805 1.00 0.19 C ATOM 2180 C PRO A 153 -11.654 6.167 5.162 1.00 0.19 C ATOM 2181 O PRO A 153 -12.181 7.277 5.266 1.00 0.24 O ATOM 2182 CB PRO A 153 -13.741 4.878 5.668 1.00 0.23 C ATOM 2183 CG PRO A 153 -13.294 4.190 6.919 1.00 0.25 C ATOM 2184 CD PRO A 153 -12.130 3.305 6.541 1.00 0.22 C ATOM 0 HA PRO A 153 -12.665 5.045 3.734 1.00 0.19 H new ATOM 0 HB2 PRO A 153 -14.129 5.874 5.879 1.00 0.23 H new ATOM 0 HB3 PRO A 153 -14.538 4.324 5.172 1.00 0.23 H new ATOM 0 HG2 PRO A 153 -12.997 4.917 7.675 1.00 0.25 H new ATOM 0 HG3 PRO A 153 -14.105 3.600 7.346 1.00 0.25 H new ATOM 0 HD2 PRO A 153 -11.271 3.473 7.190 1.00 0.22 H new ATOM 0 HD3 PRO A 153 -12.387 2.249 6.620 1.00 0.22 H new ATOM 2192 N LYS A 154 -10.357 5.971 5.350 1.00 0.17 N ATOM 2193 CA LYS A 154 -9.493 7.054 5.794 1.00 0.17 C ATOM 2194 C LYS A 154 -8.129 7.012 5.114 1.00 0.18 C ATOM 2195 O LYS A 154 -7.879 6.176 4.245 1.00 0.21 O ATOM 2196 CB LYS A 154 -9.302 6.998 7.318 1.00 0.19 C ATOM 2197 CG LYS A 154 -10.523 7.407 8.123 1.00 0.21 C ATOM 2198 CD LYS A 154 -10.251 7.308 9.616 1.00 0.29 C ATOM 2199 CE LYS A 154 -11.485 7.648 10.430 1.00 0.40 C ATOM 2200 NZ LYS A 154 -11.250 7.509 11.892 1.00 0.70 N ATOM 0 H LYS A 154 -9.883 5.080 5.203 1.00 0.17 H new ATOM 0 HA LYS A 154 -9.984 7.987 5.517 1.00 0.17 H new ATOM 0 HB2 LYS A 154 -9.021 5.983 7.599 1.00 0.19 H new ATOM 0 HB3 LYS A 154 -8.469 7.646 7.591 1.00 0.19 H new ATOM 0 HG2 LYS A 154 -10.805 8.429 7.868 1.00 0.21 H new ATOM 0 HG3 LYS A 154 -11.366 6.768 7.860 1.00 0.21 H new ATOM 0 HD2 LYS A 154 -9.919 6.299 9.860 1.00 0.29 H new ATOM 0 HD3 LYS A 154 -9.439 7.984 9.885 1.00 0.29 H new ATOM 0 HE2 LYS A 154 -11.794 8.670 10.209 1.00 0.40 H new ATOM 0 HE3 LYS A 154 -12.306 6.996 10.132 1.00 0.40 H new ATOM 0 HZ1 LYS A 154 -12.120 7.751 12.408 1.00 0.70 H new ATOM 0 HZ2 LYS A 154 -10.981 6.528 12.109 1.00 0.70 H new ATOM 0 HZ3 LYS A 154 -10.485 8.150 12.183 1.00 0.70 H new ATOM 2214 N GLN A 155 -7.263 7.938 5.515 1.00 0.18 N ATOM 2215 CA GLN A 155 -5.887 7.999 5.030 1.00 0.18 C ATOM 2216 C GLN A 155 -5.045 6.876 5.638 1.00 0.15 C ATOM 2217 O GLN A 155 -5.570 5.866 6.101 1.00 0.17 O ATOM 2218 CB GLN A 155 -5.253 9.336 5.429 1.00 0.20 C ATOM 2219 CG GLN A 155 -5.988 10.569 4.939 1.00 0.23 C ATOM 2220 CD GLN A 155 -5.510 11.038 3.582 1.00 0.75 C ATOM 2221 OE1 GLN A 155 -4.575 11.832 3.488 1.00 1.78 O ATOM 2222 NE2 GLN A 155 -6.147 10.566 2.525 1.00 0.92 N ATOM 0 H GLN A 155 -7.496 8.669 6.187 1.00 0.18 H new ATOM 0 HA GLN A 155 -5.911 7.893 3.945 1.00 0.18 H new ATOM 0 HB2 GLN A 155 -5.188 9.379 6.516 1.00 0.20 H new ATOM 0 HB3 GLN A 155 -4.233 9.365 5.047 1.00 0.20 H new ATOM 0 HG2 GLN A 155 -7.055 10.354 4.888 1.00 0.23 H new ATOM 0 HG3 GLN A 155 -5.859 11.374 5.662 1.00 0.23 H new ATOM 0 HE21 GLN A 155 -6.918 9.909 2.645 1.00 0.92 H new ATOM 0 HE22 GLN A 155 -5.868 10.859 1.589 1.00 0.92 H new ATOM 2231 N PHE A 156 -3.730 7.073 5.623 1.00 0.14 N ATOM 2232 CA PHE A 156 -2.803 6.214 6.346 1.00 0.11 C ATOM 2233 C PHE A 156 -3.214 6.166 7.816 1.00 0.14 C ATOM 2234 O PHE A 156 -3.206 7.195 8.491 1.00 0.20 O ATOM 2235 CB PHE A 156 -1.393 6.776 6.226 1.00 0.11 C ATOM 2236 CG PHE A 156 -0.960 7.064 4.811 1.00 0.14 C ATOM 2237 CD1 PHE A 156 -0.549 6.036 3.979 1.00 0.23 C ATOM 2238 CD2 PHE A 156 -0.961 8.357 4.316 1.00 0.24 C ATOM 2239 CE1 PHE A 156 -0.142 6.291 2.685 1.00 0.27 C ATOM 2240 CE2 PHE A 156 -0.556 8.617 3.022 1.00 0.30 C ATOM 2241 CZ PHE A 156 -0.178 7.607 2.201 1.00 0.26 C ATOM 0 H PHE A 156 -3.280 7.831 5.110 1.00 0.14 H new ATOM 0 HA PHE A 156 -2.825 5.208 5.926 1.00 0.11 H new ATOM 0 HB2 PHE A 156 -1.330 7.696 6.807 1.00 0.11 H new ATOM 0 HB3 PHE A 156 -0.693 6.069 6.671 1.00 0.11 H new ATOM 0 HD1 PHE A 156 -0.547 5.021 4.348 1.00 0.23 H new ATOM 0 HD2 PHE A 156 -1.282 9.171 4.949 1.00 0.24 H new ATOM 0 HE1 PHE A 156 0.201 5.486 2.052 1.00 0.27 H new ATOM 0 HE2 PHE A 156 -0.540 9.635 2.661 1.00 0.30 H new ATOM 0 HZ PHE A 156 0.095 7.815 1.177 1.00 0.26 H new ATOM 2251 N CYS A 157 -3.561 4.979 8.296 1.00 0.17 N ATOM 2252 CA CYS A 157 -4.185 4.811 9.614 1.00 0.24 C ATOM 2253 C CYS A 157 -3.417 5.475 10.758 1.00 0.37 C ATOM 2254 O CYS A 157 -4.018 5.843 11.770 1.00 0.81 O ATOM 2255 CB CYS A 157 -4.356 3.330 9.936 1.00 0.28 C ATOM 2256 SG CYS A 157 -5.404 2.413 8.769 1.00 0.31 S ATOM 0 H CYS A 157 -3.421 4.105 7.790 1.00 0.17 H new ATOM 0 HA CYS A 157 -5.151 5.311 9.542 1.00 0.24 H new ATOM 0 HB2 CYS A 157 -3.372 2.862 9.963 1.00 0.28 H new ATOM 0 HB3 CYS A 157 -4.781 3.237 10.935 1.00 0.28 H new ATOM 2261 N ASP A 158 -2.105 5.611 10.631 1.00 0.42 N ATOM 2262 CA ASP A 158 -1.319 6.203 11.709 1.00 0.51 C ATOM 2263 C ASP A 158 -0.483 7.380 11.219 1.00 0.40 C ATOM 2264 O ASP A 158 0.175 8.054 12.014 1.00 0.53 O ATOM 2265 CB ASP A 158 -0.421 5.148 12.372 1.00 0.71 C ATOM 2266 CG ASP A 158 0.756 4.723 11.517 1.00 1.00 C ATOM 2267 OD1 ASP A 158 1.855 4.521 12.077 1.00 1.24 O ATOM 2268 OD2 ASP A 158 0.593 4.575 10.287 1.00 1.43 O ATOM 0 H ASP A 158 -1.569 5.327 9.811 1.00 0.42 H new ATOM 0 HA ASP A 158 -2.021 6.582 12.451 1.00 0.51 H new ATOM 0 HB2 ASP A 158 -0.048 5.544 13.317 1.00 0.71 H new ATOM 0 HB3 ASP A 158 -1.022 4.270 12.609 1.00 0.71 H new ATOM 2273 N GLU A 159 -0.520 7.640 9.919 1.00 0.31 N ATOM 2274 CA GLU A 159 0.246 8.731 9.339 1.00 0.41 C ATOM 2275 C GLU A 159 -0.651 9.915 8.991 1.00 0.55 C ATOM 2276 O GLU A 159 -0.174 11.042 8.858 1.00 0.98 O ATOM 2277 CB GLU A 159 0.949 8.255 8.073 1.00 0.49 C ATOM 2278 CG GLU A 159 1.656 6.923 8.222 1.00 0.49 C ATOM 2279 CD GLU A 159 3.035 7.056 8.833 1.00 0.57 C ATOM 2280 OE1 GLU A 159 4.034 6.801 8.132 1.00 0.83 O ATOM 2281 OE2 GLU A 159 3.123 7.411 10.026 1.00 0.95 O ATOM 0 H GLU A 159 -1.073 7.109 9.247 1.00 0.31 H new ATOM 0 HA GLU A 159 0.979 9.052 10.079 1.00 0.41 H new ATOM 0 HB2 GLU A 159 0.216 8.177 7.270 1.00 0.49 H new ATOM 0 HB3 GLU A 159 1.676 9.008 7.769 1.00 0.49 H new ATOM 0 HG2 GLU A 159 1.051 6.263 8.843 1.00 0.49 H new ATOM 0 HG3 GLU A 159 1.741 6.451 7.243 1.00 0.49 H new ATOM 2288 N GLY A 160 -1.948 9.663 8.842 1.00 0.40 N ATOM 2289 CA GLY A 160 -2.847 10.702 8.370 1.00 0.49 C ATOM 2290 C GLY A 160 -4.274 10.542 8.858 1.00 0.53 C ATOM 2291 O GLY A 160 -4.863 11.492 9.372 1.00 0.75 O ATOM 0 H GLY A 160 -2.391 8.765 9.038 1.00 0.40 H new ATOM 0 HA2 GLY A 160 -2.469 11.672 8.693 1.00 0.49 H new ATOM 0 HA3 GLY A 160 -2.843 10.706 7.280 1.00 0.49 H new ATOM 2295 N GLY A 161 -4.831 9.348 8.705 1.00 0.39 N ATOM 2296 CA GLY A 161 -6.227 9.138 9.031 1.00 0.53 C ATOM 2297 C GLY A 161 -6.480 9.181 10.518 1.00 0.67 C ATOM 2298 O GLY A 161 -7.564 9.639 10.929 1.00 1.29 O ATOM 2299 OXT GLY A 161 -5.597 8.753 11.285 1.00 1.35 O ATOM 0 H GLY A 161 -4.341 8.522 8.361 1.00 0.39 H new ATOM 0 HA2 GLY A 161 -6.831 9.900 8.540 1.00 0.53 H new ATOM 0 HA3 GLY A 161 -6.549 8.174 8.638 1.00 0.53 H new TER 2303 GLY A 161