USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1486 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 17 HIS : no HD1:sc= 0.297 K(o=-0.66,f=-11!) USER MOD Set 1.2: B 87 ASN : amide:sc= -0.959 K(o=-0.66,f=-3.5!) USER MOD Set 2.1: A 80 SER OG : rot -81:sc= 1.02 USER MOD Set 2.2: B 80 SER OG : rot -81:sc= 0.998 USER MOD Set 3.1: B 31 LYS NZ :NH3+ -170:sc= 1.18 (180deg=0) USER MOD Set 3.2: B 56 GLN : amide:sc= 1.68 K(o=1.6,f=-4.6) USER MOD Set 3.3: B 60 SER OG : rot 180:sc= 0 USER MOD Set 3.4: B 68 ASN : amide:sc= -1.22 X(o=1.6,f=1.7) USER MOD Set 4.1: B 28 LYS NZ :NH3+ -155:sc= -5.83! (180deg=-4.52!) USER MOD Set 4.2: B 65 ASN : amide:sc= -0.782 K(o=-6.6,f=-4.9!) USER MOD Set 5.1: A 87 ASN : amide:sc= -0.989 K(o=-0.78,f=-3.5!) USER MOD Set 5.2: B 17 HIS : no HD1:sc= 0.204 K(o=-0.78,f=-11!) USER MOD Set 6.1: A 28 LYS NZ :NH3+ -156:sc= -5.88! (180deg=-4.52!) USER MOD Set 6.2: A 65 ASN : amide:sc= -0.693 K(o=-6.6,f=-4.7!) USER MOD Set 7.1: A 31 LYS NZ :NH3+ -176:sc= 1.25 (180deg=0) USER MOD Set 7.2: A 56 GLN : amide:sc= 1.72 K(o=1.8,f=-4.8) USER MOD Set 7.3: A 60 SER OG : rot 180:sc= 0 USER MOD Set 7.4: A 68 ASN : amide:sc= -1.17 X(o=1.8,f=1.8) USER MOD Single : A 3 SER OG : rot 31:sc= 0.566 USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.111 (180deg=-0.605) USER MOD Single : A 12 MET CE :methyl -125:sc= -0.645 (180deg=-4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -1.51! USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.07) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 20 SER OG : rot 172:sc= 1.34 USER MOD Single : A 22 LYS NZ :NH3+ 144:sc= -1.26 (180deg=-4.12!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -4.99! C(o=-5!,f=-2.6!) USER MOD Single : A 32 SER OG : rot -122:sc= 1.15 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 0.786 (180deg=0.477) USER MOD Single : A 39 THR OG1 : rot -76:sc= 1.16 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= -0.0214 (180deg=-0.184) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00112 USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.117 (180deg=-0.53) USER MOD Single : A 59 MET CE :methyl -141:sc= -1.4 (180deg=-6.2!) USER MOD Single : A 61 ASN : amide:sc= -1.85! X(o=-1.9!,f=-1.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.096) USER MOD Single : A 75 TYR OH : rot -106:sc= -1.03! USER MOD Single : A 76 SER OG : rot 57:sc= 1.03 USER MOD Single : A 81 SER OG : rot 95:sc= 1.33 USER MOD Single : A 84 MET CE :methyl -153:sc= -1.03 (180deg=-2.93!) USER MOD Single : A 85 MET CE :methyl -159:sc= -0.125 (180deg=-0.669) USER MOD Single : A 86 SER OG : rot 71:sc= 1.18 USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= 0.821 (180deg=-0.162) USER MOD Single : B 3 SER OG : rot 25:sc= 0.547 USER MOD Single : B 7 LYS NZ :NH3+ 155:sc= -0.131 (180deg=-0.517) USER MOD Single : B 12 MET CE :methyl -123:sc= -0.656 (180deg=-3.92!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot -170:sc= -1.57! USER MOD Single : B 18 LYS NZ :NH3+ -149:sc= 1.2 (180deg=1.06) USER MOD Single : B 19 TYR OH : rot 180:sc= -0.22 USER MOD Single : B 20 SER OG : rot 163:sc= 1.35 USER MOD Single : B 22 LYS NZ :NH3+ 145:sc= -1.43 (180deg=-4.36!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -5.11! C(o=-5.1!,f=-2.4!) USER MOD Single : B 32 SER OG : rot -114:sc= 1.31 USER MOD Single : B 35 LYS NZ :NH3+ -166:sc= 0.707 (180deg=0.34) USER MOD Single : B 39 THR OG1 : rot -75:sc= 1.19 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -170:sc= -0.0253 (180deg=-0.185) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : B 57 LYS NZ :NH3+ 159:sc= -0.0737 (180deg=-0.526) USER MOD Single : B 59 MET CE :methyl -142:sc= -1.43 (180deg=-6.17!) USER MOD Single : B 61 ASN : amide:sc= -1.92! X(o=-1.9!,f=-1.5) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 73 GLN : amide:sc= -2.52! K(o=-2.5!,f=-0.1) USER MOD Single : B 75 TYR OH : rot -104:sc= -1.06! USER MOD Single : B 76 SER OG : rot 66:sc= 0.927 USER MOD Single : B 81 SER OG : rot 60:sc= 1.3 USER MOD Single : B 84 MET CE :methyl -148:sc= -1.06 (180deg=-3.04!) USER MOD Single : B 85 MET CE :methyl -159:sc= -0.116 (180deg=-0.646) USER MOD Single : B 86 SER OG : rot 73:sc= 1.3 USER MOD Single : B 96 LYS NZ :NH3+ 156:sc= 0.682 (180deg=-0.078) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.277 2.662 13.408 1.00 0.79 N ATOM 31 CA SER A 3 -7.797 3.896 14.055 1.00 0.78 C ATOM 32 C SER A 3 -6.297 4.205 13.710 1.00 0.65 C ATOM 33 O SER A 3 -5.879 3.935 12.598 1.00 0.83 O ATOM 34 CB SER A 3 -8.064 3.712 15.551 1.00 0.97 C ATOM 35 OG SER A 3 -9.345 3.141 15.759 1.00 1.18 O ATOM 0 HA SER A 3 -8.324 4.776 13.686 1.00 0.78 H new ATOM 0 HB2 SER A 3 -7.298 3.071 15.987 1.00 0.97 H new ATOM 0 HB3 SER A 3 -8.001 4.674 16.059 1.00 0.97 H new ATOM 0 HG SER A 3 -9.570 2.559 15.003 1.00 1.18 H new ATOM 41 N PRO A 4 -5.500 4.943 14.545 1.00 0.67 N ATOM 42 CA PRO A 4 -4.064 5.190 14.286 1.00 0.62 C ATOM 43 C PRO A 4 -3.278 4.106 13.500 1.00 0.46 C ATOM 44 O PRO A 4 -2.172 4.387 13.066 1.00 0.50 O ATOM 45 CB PRO A 4 -3.514 5.328 15.694 1.00 0.79 C ATOM 46 CG PRO A 4 -4.575 6.089 16.402 1.00 0.96 C ATOM 47 CD PRO A 4 -5.887 5.631 15.808 1.00 0.87 C ATOM 0 HA PRO A 4 -3.951 6.049 13.624 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -3.340 4.356 16.155 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.563 5.860 15.704 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -4.544 5.895 17.474 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -4.440 7.162 16.268 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -6.415 4.957 16.482 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.551 6.473 15.615 1.00 0.87 H new ATOM 55 N LEU A 5 -3.807 2.884 13.343 1.00 0.36 N ATOM 56 CA LEU A 5 -3.166 1.874 12.488 1.00 0.32 C ATOM 57 C LEU A 5 -3.058 2.338 11.044 1.00 0.30 C ATOM 58 O LEU A 5 -1.994 2.239 10.445 1.00 0.32 O ATOM 59 CB LEU A 5 -3.917 0.549 12.511 1.00 0.31 C ATOM 60 CG LEU A 5 -3.474 -0.467 11.444 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.192 -1.807 12.093 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.533 -0.633 10.367 1.00 0.27 C ATOM 0 H LEU A 5 -4.668 2.573 13.792 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.167 1.732 12.899 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.795 0.096 13.495 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.981 0.749 12.382 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.566 -0.088 10.975 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -2.879 -2.521 11.332 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.399 -1.694 12.832 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.095 -2.171 12.583 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.190 -1.357 9.628 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.459 -0.987 10.819 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.710 0.326 9.880 1.00 0.27 H new ATOM 74 N GLU A 6 -4.150 2.819 10.466 1.00 0.34 N ATOM 75 CA GLU A 6 -4.090 3.288 9.094 1.00 0.42 C ATOM 76 C GLU A 6 -3.181 4.516 9.024 1.00 0.33 C ATOM 77 O GLU A 6 -2.371 4.692 8.101 1.00 0.31 O ATOM 78 CB GLU A 6 -5.468 3.615 8.543 1.00 0.62 C ATOM 79 CG GLU A 6 -6.341 2.396 8.284 1.00 1.80 C ATOM 80 CD GLU A 6 -5.770 1.462 7.235 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.977 0.571 7.601 1.00 3.61 O ATOM 82 OE2 GLU A 6 -6.116 1.612 6.043 1.00 3.32 O ATOM 0 H GLU A 6 -5.064 2.893 10.913 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.683 2.488 8.476 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.981 4.273 9.245 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.353 4.170 7.612 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.472 1.847 9.216 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -7.330 2.727 7.967 1.00 1.80 H new ATOM 89 N LYS A 7 -3.290 5.344 10.055 1.00 0.35 N ATOM 90 CA LYS A 7 -2.408 6.488 10.211 1.00 0.36 C ATOM 91 C LYS A 7 -0.969 5.982 10.406 1.00 0.32 C ATOM 92 O LYS A 7 -0.004 6.715 10.220 1.00 0.35 O ATOM 93 CB LYS A 7 -2.819 7.353 11.414 1.00 0.44 C ATOM 94 CG LYS A 7 -4.320 7.436 11.683 1.00 0.63 C ATOM 95 CD LYS A 7 -5.065 8.417 10.778 1.00 0.79 C ATOM 96 CE LYS A 7 -6.434 8.718 11.361 1.00 1.78 C ATOM 97 NZ LYS A 7 -6.337 9.494 12.628 1.00 2.82 N ATOM 0 H LYS A 7 -3.983 5.242 10.796 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.477 7.106 9.316 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.329 6.961 12.305 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -2.439 8.363 11.260 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.755 6.444 11.561 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.476 7.727 12.722 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -4.492 9.339 10.677 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -5.170 7.995 9.778 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -7.023 9.279 10.635 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -6.963 7.784 11.547 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -7.215 10.033 12.773 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -6.196 8.841 13.425 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -5.533 10.151 12.572 1.00 2.82 H new ATOM 111 N ALA A 8 -0.848 4.722 10.816 1.00 0.29 N ATOM 112 CA ALA A 8 0.443 4.086 11.034 1.00 0.29 C ATOM 113 C ALA A 8 1.031 3.577 9.729 1.00 0.27 C ATOM 114 O ALA A 8 2.242 3.423 9.621 1.00 0.28 O ATOM 115 CB ALA A 8 0.338 2.958 12.045 1.00 0.32 C ATOM 0 H ALA A 8 -1.645 4.115 11.006 1.00 0.29 H new ATOM 0 HA ALA A 8 1.115 4.843 11.439 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.319 2.503 12.186 1.00 0.32 H new ATOM 0 HB2 ALA A 8 -0.018 3.354 12.996 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.362 2.206 11.680 1.00 0.32 H new ATOM 121 N LEU A 9 0.188 3.298 8.734 1.00 0.26 N ATOM 122 CA LEU A 9 0.717 3.058 7.390 1.00 0.26 C ATOM 123 C LEU A 9 1.401 4.339 6.934 1.00 0.26 C ATOM 124 O LEU A 9 2.392 4.326 6.208 1.00 0.26 O ATOM 125 CB LEU A 9 -0.365 2.673 6.371 1.00 0.26 C ATOM 126 CG LEU A 9 -1.627 2.033 6.934 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.600 1.730 5.813 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.321 0.770 7.723 1.00 0.27 C ATOM 0 H LEU A 9 -0.826 3.234 8.825 1.00 0.26 H new ATOM 0 HA LEU A 9 1.406 2.215 7.441 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.652 3.570 5.822 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.075 1.985 5.649 1.00 0.26 H new ATOM 0 HG LEU A 9 -2.080 2.746 7.623 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.499 1.273 6.225 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.865 2.655 5.302 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.136 1.044 5.104 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.249 0.347 8.106 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.832 0.044 7.073 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.662 1.012 8.556 1.00 0.27 H new ATOM 140 N ASP A 10 0.858 5.457 7.387 1.00 0.27 N ATOM 141 CA ASP A 10 1.521 6.754 7.188 1.00 0.29 C ATOM 142 C ASP A 10 2.846 6.797 7.962 1.00 0.27 C ATOM 143 O ASP A 10 3.849 7.357 7.499 1.00 0.28 O ATOM 144 CB ASP A 10 0.620 7.907 7.624 1.00 0.33 C ATOM 145 CG ASP A 10 1.336 9.243 7.614 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.433 9.862 6.538 1.00 1.18 O ATOM 147 OD2 ASP A 10 1.794 9.685 8.691 1.00 1.16 O ATOM 0 H ASP A 10 -0.028 5.503 7.890 1.00 0.27 H new ATOM 0 HA ASP A 10 1.726 6.868 6.123 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.245 7.958 6.962 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.243 7.709 8.627 1.00 0.33 H new ATOM 152 N VAL A 11 2.855 6.188 9.139 1.00 0.27 N ATOM 153 CA VAL A 11 4.076 6.047 9.910 1.00 0.27 C ATOM 154 C VAL A 11 5.078 5.174 9.148 1.00 0.27 C ATOM 155 O VAL A 11 6.288 5.329 9.298 1.00 0.29 O ATOM 156 CB VAL A 11 3.787 5.459 11.310 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.072 5.202 12.078 1.00 0.31 C ATOM 158 CG2 VAL A 11 2.881 6.395 12.097 1.00 0.31 C ATOM 0 H VAL A 11 2.028 5.784 9.579 1.00 0.27 H new ATOM 0 HA VAL A 11 4.510 7.037 10.053 1.00 0.27 H new ATOM 0 HB VAL A 11 3.281 4.503 11.175 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.834 4.789 13.058 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.690 4.494 11.526 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.616 6.139 12.202 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.685 5.969 13.081 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.369 7.363 12.211 1.00 0.31 H new ATOM 0 HG23 VAL A 11 1.939 6.524 11.563 1.00 0.31 H new ATOM 168 N MET A 12 4.559 4.274 8.313 1.00 0.26 N ATOM 169 CA MET A 12 5.396 3.489 7.408 1.00 0.29 C ATOM 170 C MET A 12 6.096 4.404 6.402 1.00 0.29 C ATOM 171 O MET A 12 7.238 4.153 6.016 1.00 0.34 O ATOM 172 CB MET A 12 4.568 2.405 6.695 1.00 0.32 C ATOM 173 CG MET A 12 5.253 1.791 5.485 1.00 0.98 C ATOM 174 SD MET A 12 5.054 2.773 3.979 1.00 2.23 S ATOM 175 CE MET A 12 3.283 2.683 3.730 1.00 2.75 C ATOM 0 H MET A 12 3.562 4.071 8.245 1.00 0.26 H new ATOM 0 HA MET A 12 6.162 2.983 7.996 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.337 1.613 7.408 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.619 2.838 6.380 1.00 0.32 H new ATOM 0 HG2 MET A 12 6.316 1.675 5.697 1.00 0.98 H new ATOM 0 HG3 MET A 12 4.851 0.792 5.316 1.00 0.98 H new ATOM 0 HE1 MET A 12 3.075 2.303 2.730 1.00 2.75 H new ATOM 0 HE2 MET A 12 2.845 2.014 4.471 1.00 2.75 H new ATOM 0 HE3 MET A 12 2.849 3.677 3.838 1.00 2.75 H new ATOM 185 N VAL A 13 5.415 5.473 5.983 1.00 0.29 N ATOM 186 CA VAL A 13 6.060 6.499 5.161 1.00 0.31 C ATOM 187 C VAL A 13 7.324 6.987 5.864 1.00 0.27 C ATOM 188 O VAL A 13 8.387 7.145 5.251 1.00 0.27 O ATOM 189 CB VAL A 13 5.141 7.717 4.891 1.00 0.37 C ATOM 190 CG1 VAL A 13 5.832 8.718 3.973 1.00 0.41 C ATOM 191 CG2 VAL A 13 3.813 7.285 4.290 1.00 0.42 C ATOM 0 H VAL A 13 4.433 5.650 6.195 1.00 0.29 H new ATOM 0 HA VAL A 13 6.293 6.040 4.200 1.00 0.31 H new ATOM 0 HB VAL A 13 4.940 8.198 5.848 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.170 9.566 3.796 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.752 9.067 4.442 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.069 8.238 3.024 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.191 8.163 4.113 1.00 0.42 H new ATOM 0 HG22 VAL A 13 3.991 6.770 3.346 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.303 6.613 4.980 1.00 0.42 H new ATOM 201 N SER A 14 7.198 7.205 7.165 1.00 0.26 N ATOM 202 CA SER A 14 8.336 7.616 7.980 1.00 0.26 C ATOM 203 C SER A 14 9.337 6.471 8.171 1.00 0.25 C ATOM 204 O SER A 14 10.538 6.712 8.307 1.00 0.26 O ATOM 205 CB SER A 14 7.846 8.145 9.329 1.00 0.31 C ATOM 206 OG SER A 14 6.893 9.183 9.148 1.00 1.18 O ATOM 0 H SER A 14 6.323 7.105 7.679 1.00 0.26 H new ATOM 0 HA SER A 14 8.860 8.415 7.456 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.401 7.333 9.903 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.691 8.518 9.907 1.00 0.31 H new ATOM 0 HG SER A 14 6.591 9.506 10.023 1.00 1.18 H new ATOM 212 N THR A 15 8.846 5.234 8.171 1.00 0.28 N ATOM 213 CA THR A 15 9.710 4.057 8.194 1.00 0.32 C ATOM 214 C THR A 15 10.740 4.145 7.069 1.00 0.28 C ATOM 215 O THR A 15 11.948 3.965 7.273 1.00 0.29 O ATOM 216 CB THR A 15 8.880 2.769 8.013 1.00 0.45 C ATOM 217 OG1 THR A 15 7.962 2.623 9.104 1.00 0.59 O ATOM 218 CG2 THR A 15 9.774 1.544 7.924 1.00 0.93 C ATOM 0 H THR A 15 7.849 5.021 8.155 1.00 0.28 H new ATOM 0 HA THR A 15 10.216 4.025 9.159 1.00 0.32 H new ATOM 0 HB THR A 15 8.326 2.853 7.078 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.552 1.734 9.070 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.159 0.653 7.797 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.446 1.645 7.072 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.359 1.453 8.839 1.00 0.93 H new ATOM 226 N PHE A 16 10.237 4.457 5.885 1.00 0.27 N ATOM 227 CA PHE A 16 11.060 4.570 4.699 1.00 0.27 C ATOM 228 C PHE A 16 12.114 5.657 4.829 1.00 0.29 C ATOM 229 O PHE A 16 13.294 5.398 4.615 1.00 0.37 O ATOM 230 CB PHE A 16 10.172 4.825 3.488 1.00 0.34 C ATOM 231 CG PHE A 16 10.916 5.063 2.206 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.243 4.004 1.377 1.00 1.65 C ATOM 233 CD2 PHE A 16 11.272 6.346 1.822 1.00 1.73 C ATOM 234 CE1 PHE A 16 11.914 4.220 0.190 1.00 2.27 C ATOM 235 CE2 PHE A 16 11.945 6.567 0.639 1.00 2.34 C ATOM 236 CZ PHE A 16 12.266 5.502 -0.178 1.00 2.36 C ATOM 0 H PHE A 16 9.246 4.638 5.723 1.00 0.27 H new ATOM 0 HA PHE A 16 11.595 3.629 4.571 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.508 3.971 3.354 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.541 5.690 3.692 1.00 0.34 H new ATOM 0 HD1 PHE A 16 10.970 2.998 1.662 1.00 1.65 H new ATOM 0 HD2 PHE A 16 11.019 7.183 2.457 1.00 1.73 H new ATOM 0 HE1 PHE A 16 12.163 3.386 -0.450 1.00 2.27 H new ATOM 0 HE2 PHE A 16 12.220 7.571 0.352 1.00 2.34 H new ATOM 0 HZ PHE A 16 12.793 5.672 -1.105 1.00 2.36 H new ATOM 246 N HIS A 17 11.691 6.864 5.186 1.00 0.30 N ATOM 247 CA HIS A 17 12.614 8.000 5.297 1.00 0.40 C ATOM 248 C HIS A 17 13.765 7.674 6.231 1.00 0.36 C ATOM 249 O HIS A 17 14.883 8.162 6.054 1.00 0.42 O ATOM 250 CB HIS A 17 11.895 9.236 5.827 1.00 0.59 C ATOM 251 CG HIS A 17 10.758 9.704 4.979 1.00 0.81 C ATOM 252 ND1 HIS A 17 9.637 10.305 5.502 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.572 9.664 3.640 1.00 1.78 C ATOM 254 CE1 HIS A 17 8.809 10.613 4.523 1.00 2.03 C ATOM 255 NE2 HIS A 17 9.352 10.235 3.381 1.00 2.20 N ATOM 0 H HIS A 17 10.720 7.086 5.404 1.00 0.30 H new ATOM 0 HA HIS A 17 12.999 8.201 4.297 1.00 0.40 H new ATOM 0 HB2 HIS A 17 11.521 9.021 6.828 1.00 0.59 H new ATOM 0 HB3 HIS A 17 12.617 10.047 5.924 1.00 0.59 H new ATOM 0 HD2 HIS A 17 11.257 9.258 2.910 1.00 1.78 H new ATOM 0 HE1 HIS A 17 7.848 11.094 4.637 1.00 2.03 H new ATOM 0 HE2 HIS A 17 8.933 10.349 2.458 1.00 2.20 H new ATOM 264 N LYS A 18 13.476 6.840 7.214 1.00 0.34 N ATOM 265 CA LYS A 18 14.461 6.431 8.190 1.00 0.39 C ATOM 266 C LYS A 18 15.568 5.629 7.526 1.00 0.37 C ATOM 267 O LYS A 18 16.750 5.944 7.666 1.00 0.47 O ATOM 268 CB LYS A 18 13.789 5.591 9.267 1.00 0.43 C ATOM 269 CG LYS A 18 14.766 4.931 10.229 1.00 0.55 C ATOM 270 CD LYS A 18 14.036 4.139 11.298 1.00 0.73 C ATOM 271 CE LYS A 18 13.107 3.107 10.683 1.00 0.80 C ATOM 272 NZ LYS A 18 12.447 2.272 11.712 1.00 1.28 N ATOM 0 H LYS A 18 12.553 6.430 7.355 1.00 0.34 H new ATOM 0 HA LYS A 18 14.901 7.320 8.641 1.00 0.39 H new ATOM 0 HB2 LYS A 18 13.106 6.223 9.834 1.00 0.43 H new ATOM 0 HB3 LYS A 18 13.186 4.819 8.789 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.434 4.270 9.676 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.388 5.693 10.699 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.760 3.641 11.943 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.462 4.818 11.928 1.00 0.73 H new ATOM 0 HE2 LYS A 18 12.349 3.612 10.085 1.00 0.80 H new ATOM 0 HE3 LYS A 18 13.673 2.468 10.006 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.759 1.639 11.256 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 13.162 1.705 12.210 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 11.955 2.885 12.393 1.00 1.28 H new ATOM 286 N TYR A 19 15.174 4.604 6.789 1.00 0.29 N ATOM 287 CA TYR A 19 16.137 3.702 6.189 1.00 0.29 C ATOM 288 C TYR A 19 16.758 4.264 4.928 1.00 0.33 C ATOM 289 O TYR A 19 17.929 4.036 4.692 1.00 0.44 O ATOM 290 CB TYR A 19 15.511 2.341 5.927 1.00 0.31 C ATOM 291 CG TYR A 19 15.580 1.449 7.136 1.00 0.36 C ATOM 292 CD1 TYR A 19 16.778 0.850 7.494 1.00 1.28 C ATOM 293 CD2 TYR A 19 14.471 1.232 7.936 1.00 1.23 C ATOM 294 CE1 TYR A 19 16.869 0.055 8.614 1.00 1.35 C ATOM 295 CE2 TYR A 19 14.556 0.444 9.063 1.00 1.26 C ATOM 296 CZ TYR A 19 15.757 -0.143 9.395 1.00 0.62 C ATOM 297 OH TYR A 19 15.850 -0.916 10.525 1.00 0.79 O ATOM 0 H TYR A 19 14.199 4.378 6.594 1.00 0.29 H new ATOM 0 HA TYR A 19 16.947 3.582 6.908 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.470 2.471 5.631 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.022 1.861 5.092 1.00 0.31 H new ATOM 0 HD1 TYR A 19 17.655 1.010 6.884 1.00 1.28 H new ATOM 0 HD2 TYR A 19 13.527 1.686 7.673 1.00 1.23 H new ATOM 0 HE1 TYR A 19 17.808 -0.410 8.877 1.00 1.35 H new ATOM 0 HE2 TYR A 19 13.686 0.287 9.683 1.00 1.26 H new ATOM 0 HH TYR A 19 14.976 -0.956 10.967 1.00 0.79 H new ATOM 307 N SER A 20 15.993 4.997 4.134 1.00 0.29 N ATOM 308 CA SER A 20 16.523 5.592 2.912 1.00 0.32 C ATOM 309 C SER A 20 17.439 6.758 3.236 1.00 0.40 C ATOM 310 O SER A 20 18.290 7.140 2.436 1.00 0.60 O ATOM 311 CB SER A 20 15.382 6.079 2.030 1.00 0.35 C ATOM 312 OG SER A 20 14.468 5.037 1.784 1.00 0.86 O ATOM 0 H SER A 20 15.008 5.195 4.310 1.00 0.29 H new ATOM 0 HA SER A 20 17.094 4.829 2.383 1.00 0.32 H new ATOM 0 HB2 SER A 20 14.871 6.912 2.513 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.779 6.453 1.086 1.00 0.35 H new ATOM 0 HG SER A 20 13.681 5.394 1.322 1.00 0.86 H new ATOM 318 N GLY A 21 17.263 7.326 4.418 1.00 0.37 N ATOM 319 CA GLY A 21 18.063 8.460 4.810 1.00 0.43 C ATOM 320 C GLY A 21 19.388 8.053 5.404 1.00 0.41 C ATOM 321 O GLY A 21 19.995 8.811 6.162 1.00 0.46 O ATOM 0 H GLY A 21 16.580 7.020 5.111 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.237 9.095 3.942 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.511 9.057 5.536 1.00 0.43 H new ATOM 325 N LYS A 22 19.840 6.856 5.067 1.00 0.40 N ATOM 326 CA LYS A 22 21.117 6.371 5.563 1.00 0.46 C ATOM 327 C LYS A 22 22.182 6.476 4.483 1.00 0.52 C ATOM 328 O LYS A 22 23.234 7.087 4.677 1.00 0.65 O ATOM 329 CB LYS A 22 21.011 4.920 6.016 1.00 0.47 C ATOM 330 CG LYS A 22 19.890 4.643 6.999 1.00 0.60 C ATOM 331 CD LYS A 22 19.924 3.205 7.520 1.00 0.56 C ATOM 332 CE LYS A 22 19.923 2.161 6.403 1.00 0.49 C ATOM 333 NZ LYS A 22 21.273 1.943 5.808 1.00 1.08 N ATOM 0 H LYS A 22 19.345 6.206 4.456 1.00 0.40 H new ATOM 0 HA LYS A 22 21.397 6.991 6.415 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.870 4.289 5.138 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.956 4.626 6.472 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.965 5.334 7.838 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.931 4.831 6.517 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.813 3.069 8.135 1.00 0.56 H new ATOM 0 HD3 LYS A 22 19.062 3.038 8.165 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.549 1.216 6.797 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.233 2.476 5.620 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.386 0.939 5.561 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.372 2.523 4.951 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 22.004 2.214 6.496 1.00 1.08 H new ATOM 347 N GLU A 23 21.890 5.875 3.346 1.00 0.47 N ATOM 348 CA GLU A 23 22.826 5.774 2.243 1.00 0.55 C ATOM 349 C GLU A 23 22.126 6.166 0.946 1.00 0.58 C ATOM 350 O GLU A 23 20.902 6.249 0.897 1.00 0.64 O ATOM 351 CB GLU A 23 23.338 4.329 2.135 1.00 0.67 C ATOM 352 CG GLU A 23 23.828 3.751 3.454 1.00 1.15 C ATOM 353 CD GLU A 23 24.234 2.297 3.358 1.00 1.59 C ATOM 354 OE1 GLU A 23 25.283 2.001 2.748 1.00 2.38 O ATOM 355 OE2 GLU A 23 23.516 1.442 3.918 1.00 1.96 O ATOM 0 H GLU A 23 20.987 5.439 3.160 1.00 0.47 H new ATOM 0 HA GLU A 23 23.668 6.444 2.418 1.00 0.55 H new ATOM 0 HB2 GLU A 23 22.538 3.698 1.747 1.00 0.67 H new ATOM 0 HB3 GLU A 23 24.151 4.295 1.410 1.00 0.67 H new ATOM 0 HG2 GLU A 23 24.678 4.336 3.805 1.00 1.15 H new ATOM 0 HG3 GLU A 23 23.041 3.852 4.201 1.00 1.15 H new ATOM 362 N GLY A 24 22.894 6.432 -0.090 1.00 0.72 N ATOM 363 CA GLY A 24 22.315 6.610 -1.405 1.00 0.85 C ATOM 364 C GLY A 24 21.588 7.929 -1.602 1.00 0.79 C ATOM 365 O GLY A 24 22.212 8.988 -1.668 1.00 0.92 O ATOM 0 H GLY A 24 23.909 6.529 -0.049 1.00 0.72 H new ATOM 0 HA2 GLY A 24 23.107 6.532 -2.150 1.00 0.85 H new ATOM 0 HA3 GLY A 24 21.618 5.794 -1.594 1.00 0.85 H new ATOM 369 N ASP A 25 20.260 7.866 -1.680 1.00 0.71 N ATOM 370 CA ASP A 25 19.473 8.983 -2.208 1.00 0.70 C ATOM 371 C ASP A 25 18.619 9.688 -1.150 1.00 0.73 C ATOM 372 O ASP A 25 18.178 10.817 -1.375 1.00 1.34 O ATOM 373 CB ASP A 25 18.571 8.471 -3.334 1.00 0.73 C ATOM 374 CG ASP A 25 17.903 9.586 -4.115 1.00 1.04 C ATOM 375 OD1 ASP A 25 18.567 10.184 -4.988 1.00 1.75 O ATOM 376 OD2 ASP A 25 16.713 9.864 -3.871 1.00 1.65 O ATOM 0 H ASP A 25 19.708 7.060 -1.387 1.00 0.71 H new ATOM 0 HA ASP A 25 20.183 9.724 -2.576 1.00 0.70 H new ATOM 0 HB2 ASP A 25 19.163 7.861 -4.017 1.00 0.73 H new ATOM 0 HB3 ASP A 25 17.804 7.822 -2.911 1.00 0.73 H new ATOM 381 N LYS A 26 18.374 9.020 -0.014 1.00 0.61 N ATOM 382 CA LYS A 26 17.515 9.539 1.056 1.00 0.56 C ATOM 383 C LYS A 26 16.031 9.398 0.698 1.00 0.49 C ATOM 384 O LYS A 26 15.161 9.403 1.571 1.00 0.55 O ATOM 385 CB LYS A 26 17.879 10.991 1.396 1.00 0.71 C ATOM 386 CG LYS A 26 16.873 11.694 2.280 1.00 1.03 C ATOM 387 CD LYS A 26 16.949 11.216 3.720 1.00 0.70 C ATOM 388 CE LYS A 26 16.074 12.053 4.641 1.00 0.94 C ATOM 389 NZ LYS A 26 16.226 11.653 6.066 1.00 1.56 N ATOM 0 H LYS A 26 18.768 8.101 0.188 1.00 0.61 H new ATOM 0 HA LYS A 26 17.690 8.937 1.948 1.00 0.56 H new ATOM 0 HB2 LYS A 26 18.851 11.004 1.890 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.986 11.553 0.468 1.00 0.71 H new ATOM 0 HG2 LYS A 26 17.049 12.769 2.245 1.00 1.03 H new ATOM 0 HG3 LYS A 26 15.868 11.522 1.894 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.639 10.173 3.773 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.983 11.259 4.063 1.00 0.70 H new ATOM 0 HE2 LYS A 26 16.333 13.106 4.530 1.00 0.94 H new ATOM 0 HE3 LYS A 26 15.030 11.949 4.344 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.613 12.247 6.661 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 15.954 10.655 6.177 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 17.217 11.777 6.358 1.00 1.56 H new ATOM 403 N PHE A 27 15.751 9.233 -0.583 1.00 0.45 N ATOM 404 CA PHE A 27 14.392 9.047 -1.054 1.00 0.44 C ATOM 405 C PHE A 27 14.286 7.731 -1.805 1.00 0.40 C ATOM 406 O PHE A 27 13.294 7.460 -2.482 1.00 0.40 O ATOM 407 CB PHE A 27 13.960 10.204 -1.958 1.00 0.50 C ATOM 408 CG PHE A 27 13.789 11.512 -1.238 1.00 0.78 C ATOM 409 CD1 PHE A 27 14.859 12.376 -1.075 1.00 1.76 C ATOM 410 CD2 PHE A 27 12.553 11.877 -0.730 1.00 1.28 C ATOM 411 CE1 PHE A 27 14.700 13.581 -0.416 1.00 2.09 C ATOM 412 CE2 PHE A 27 12.388 13.079 -0.070 1.00 1.59 C ATOM 413 CZ PHE A 27 13.463 13.932 0.086 1.00 1.65 C ATOM 0 H PHE A 27 16.455 9.224 -1.321 1.00 0.45 H new ATOM 0 HA PHE A 27 13.727 9.027 -0.190 1.00 0.44 H new ATOM 0 HB2 PHE A 27 14.700 10.330 -2.748 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.019 9.942 -2.442 1.00 0.50 H new ATOM 0 HD1 PHE A 27 15.828 12.106 -1.467 1.00 1.76 H new ATOM 0 HD2 PHE A 27 11.709 11.214 -0.851 1.00 1.28 H new ATOM 0 HE1 PHE A 27 15.542 14.246 -0.294 1.00 2.09 H new ATOM 0 HE2 PHE A 27 11.420 13.351 0.323 1.00 1.59 H new ATOM 0 HZ PHE A 27 13.336 14.873 0.600 1.00 1.65 H new ATOM 423 N LYS A 28 15.325 6.918 -1.665 1.00 0.39 N ATOM 424 CA LYS A 28 15.381 5.605 -2.280 1.00 0.36 C ATOM 425 C LYS A 28 16.218 4.673 -1.433 1.00 0.34 C ATOM 426 O LYS A 28 17.225 5.079 -0.861 1.00 0.38 O ATOM 427 CB LYS A 28 15.976 5.650 -3.687 1.00 0.40 C ATOM 428 CG LYS A 28 15.053 6.191 -4.758 1.00 0.49 C ATOM 429 CD LYS A 28 15.691 6.040 -6.125 1.00 0.56 C ATOM 430 CE LYS A 28 14.735 6.406 -7.246 1.00 0.86 C ATOM 431 NZ LYS A 28 13.658 5.393 -7.416 1.00 1.70 N ATOM 0 H LYS A 28 16.154 7.155 -1.119 1.00 0.39 H new ATOM 0 HA LYS A 28 14.355 5.244 -2.352 1.00 0.36 H new ATOM 0 HB2 LYS A 28 16.878 6.262 -3.664 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.282 4.642 -3.968 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.102 5.659 -4.732 1.00 0.49 H new ATOM 0 HG3 LYS A 28 14.836 7.241 -4.564 1.00 0.49 H new ATOM 0 HD2 LYS A 28 16.576 6.673 -6.183 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.026 5.011 -6.256 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.288 7.378 -7.038 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.291 6.504 -8.179 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 13.289 5.438 -8.387 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 14.043 4.444 -7.235 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 12.888 5.588 -6.744 1.00 1.70 H new ATOM 445 N LEU A 29 15.792 3.428 -1.386 1.00 0.31 N ATOM 446 CA LEU A 29 16.482 2.396 -0.651 1.00 0.28 C ATOM 447 C LEU A 29 17.375 1.619 -1.581 1.00 0.31 C ATOM 448 O LEU A 29 16.901 0.848 -2.418 1.00 0.33 O ATOM 449 CB LEU A 29 15.486 1.427 -0.018 1.00 0.26 C ATOM 450 CG LEU A 29 14.553 2.025 1.016 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.317 1.167 1.148 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.259 2.139 2.355 1.00 0.25 C ATOM 0 H LEU A 29 14.950 3.104 -1.862 1.00 0.31 H new ATOM 0 HA LEU A 29 17.072 2.874 0.131 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.884 0.985 -0.811 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.044 0.615 0.449 1.00 0.26 H new ATOM 0 HG LEU A 29 14.258 3.023 0.693 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.650 1.602 1.893 1.00 0.28 H new ATOM 0 HD12 LEU A 29 12.805 1.117 0.187 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.603 0.162 1.460 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.579 2.570 3.090 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.572 1.149 2.687 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.134 2.780 2.251 1.00 0.25 H new ATOM 464 N ASN A 30 18.657 1.816 -1.433 1.00 0.32 N ATOM 465 CA ASN A 30 19.622 1.011 -2.144 1.00 0.36 C ATOM 466 C ASN A 30 19.648 -0.360 -1.496 1.00 0.33 C ATOM 467 O ASN A 30 19.088 -0.523 -0.416 1.00 0.30 O ATOM 468 CB ASN A 30 20.991 1.691 -2.120 1.00 0.42 C ATOM 469 CG ASN A 30 21.349 2.223 -0.749 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.093 1.592 0.000 1.00 0.56 O ATOM 471 ND2 ASN A 30 20.782 3.370 -0.396 1.00 0.43 N ATOM 0 H ASN A 30 19.062 2.528 -0.825 1.00 0.32 H new ATOM 0 HA ASN A 30 19.348 0.901 -3.193 1.00 0.36 H new ATOM 0 HB2 ASN A 30 21.752 0.980 -2.440 1.00 0.42 H new ATOM 0 HB3 ASN A 30 20.999 2.511 -2.838 1.00 0.42 H new ATOM 0 HD21 ASN A 30 20.957 3.762 0.529 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.171 3.860 -1.050 1.00 0.43 H new ATOM 478 N LYS A 31 20.256 -1.346 -2.140 1.00 0.35 N ATOM 479 CA LYS A 31 20.140 -2.728 -1.673 1.00 0.34 C ATOM 480 C LYS A 31 20.536 -2.863 -0.205 1.00 0.31 C ATOM 481 O LYS A 31 19.934 -3.643 0.535 1.00 0.31 O ATOM 482 CB LYS A 31 20.981 -3.679 -2.525 1.00 0.41 C ATOM 483 CG LYS A 31 20.151 -4.574 -3.435 1.00 0.68 C ATOM 484 CD LYS A 31 21.021 -5.535 -4.232 1.00 0.71 C ATOM 485 CE LYS A 31 21.916 -4.793 -5.210 1.00 1.15 C ATOM 486 NZ LYS A 31 22.775 -5.718 -5.991 1.00 1.99 N ATOM 0 H LYS A 31 20.828 -1.223 -2.976 1.00 0.35 H new ATOM 0 HA LYS A 31 19.090 -3.004 -1.774 1.00 0.34 H new ATOM 0 HB2 LYS A 31 21.671 -3.095 -3.134 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.586 -4.304 -1.868 1.00 0.41 H new ATOM 0 HG2 LYS A 31 19.439 -5.141 -2.835 1.00 0.68 H new ATOM 0 HG3 LYS A 31 19.570 -3.956 -4.120 1.00 0.68 H new ATOM 0 HD2 LYS A 31 21.635 -6.124 -3.550 1.00 0.71 H new ATOM 0 HD3 LYS A 31 20.387 -6.236 -4.776 1.00 0.71 H new ATOM 0 HE2 LYS A 31 21.300 -4.207 -5.892 1.00 1.15 H new ATOM 0 HE3 LYS A 31 22.544 -4.089 -4.664 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 23.417 -5.168 -6.597 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.333 -6.307 -5.340 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 22.178 -6.329 -6.584 1.00 1.99 H new ATOM 500 N SER A 32 21.534 -2.086 0.202 1.00 0.34 N ATOM 501 CA SER A 32 21.964 -2.035 1.593 1.00 0.37 C ATOM 502 C SER A 32 20.769 -1.740 2.496 1.00 0.34 C ATOM 503 O SER A 32 20.435 -2.509 3.404 1.00 0.38 O ATOM 504 CB SER A 32 23.011 -0.927 1.759 1.00 0.45 C ATOM 505 OG SER A 32 23.656 -0.996 3.018 1.00 1.33 O ATOM 0 H SER A 32 22.065 -1.477 -0.420 1.00 0.34 H new ATOM 0 HA SER A 32 22.395 -2.997 1.871 1.00 0.37 H new ATOM 0 HB2 SER A 32 23.754 -1.007 0.965 1.00 0.45 H new ATOM 0 HB3 SER A 32 22.531 0.046 1.649 1.00 0.45 H new ATOM 0 HG SER A 32 23.528 -0.151 3.498 1.00 1.33 H new ATOM 511 N GLU A 33 20.114 -0.634 2.193 1.00 0.32 N ATOM 512 CA GLU A 33 18.994 -0.142 2.963 1.00 0.35 C ATOM 513 C GLU A 33 17.777 -1.040 2.811 1.00 0.30 C ATOM 514 O GLU A 33 17.095 -1.340 3.793 1.00 0.32 O ATOM 515 CB GLU A 33 18.656 1.252 2.479 1.00 0.45 C ATOM 516 CG GLU A 33 19.803 2.225 2.589 1.00 0.59 C ATOM 517 CD GLU A 33 19.374 3.621 2.227 1.00 1.50 C ATOM 518 OE1 GLU A 33 18.620 3.770 1.248 1.00 2.32 O ATOM 519 OE2 GLU A 33 19.781 4.561 2.925 1.00 2.15 O ATOM 0 H GLU A 33 20.351 -0.047 1.393 1.00 0.32 H new ATOM 0 HA GLU A 33 19.270 -0.131 4.017 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.335 1.198 1.439 1.00 0.45 H new ATOM 0 HB3 GLU A 33 17.812 1.632 3.054 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.194 2.215 3.606 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.614 1.910 1.932 1.00 0.59 H new ATOM 526 N LEU A 34 17.505 -1.453 1.573 1.00 0.30 N ATOM 527 CA LEU A 34 16.382 -2.324 1.279 1.00 0.33 C ATOM 528 C LEU A 34 16.440 -3.567 2.153 1.00 0.29 C ATOM 529 O LEU A 34 15.437 -3.966 2.741 1.00 0.30 O ATOM 530 CB LEU A 34 16.393 -2.736 -0.192 1.00 0.50 C ATOM 531 CG LEU A 34 15.152 -3.503 -0.647 1.00 0.51 C ATOM 532 CD1 LEU A 34 13.963 -2.562 -0.732 1.00 1.01 C ATOM 533 CD2 LEU A 34 15.398 -4.187 -1.981 1.00 0.55 C ATOM 0 H LEU A 34 18.056 -1.192 0.756 1.00 0.30 H new ATOM 0 HA LEU A 34 15.462 -1.777 1.487 1.00 0.33 H new ATOM 0 HB2 LEU A 34 16.496 -1.841 -0.806 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.273 -3.352 -0.377 1.00 0.50 H new ATOM 0 HG LEU A 34 14.931 -4.278 0.087 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.083 -3.117 -1.057 1.00 1.01 H new ATOM 0 HD12 LEU A 34 13.775 -2.124 0.248 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.177 -1.769 -1.448 1.00 1.01 H new ATOM 0 HD21 LEU A 34 14.501 -4.726 -2.284 1.00 0.55 H new ATOM 0 HD22 LEU A 34 15.643 -3.438 -2.734 1.00 0.55 H new ATOM 0 HD23 LEU A 34 16.227 -4.888 -1.883 1.00 0.55 H new ATOM 545 N LYS A 35 17.627 -4.162 2.239 1.00 0.29 N ATOM 546 CA LYS A 35 17.849 -5.315 3.099 1.00 0.29 C ATOM 547 C LYS A 35 17.423 -5.024 4.526 1.00 0.29 C ATOM 548 O LYS A 35 16.554 -5.700 5.068 1.00 0.31 O ATOM 549 CB LYS A 35 19.320 -5.724 3.094 1.00 0.32 C ATOM 550 CG LYS A 35 19.713 -6.621 1.935 1.00 0.39 C ATOM 551 CD LYS A 35 21.210 -6.853 1.920 1.00 0.52 C ATOM 552 CE LYS A 35 21.589 -8.102 1.145 1.00 0.70 C ATOM 553 NZ LYS A 35 23.061 -8.319 1.157 1.00 1.29 N ATOM 0 H LYS A 35 18.452 -3.861 1.720 1.00 0.29 H new ATOM 0 HA LYS A 35 17.244 -6.132 2.704 1.00 0.29 H new ATOM 0 HB2 LYS A 35 19.935 -4.825 3.067 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.546 -6.237 4.029 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.193 -7.576 2.015 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.401 -6.166 0.995 1.00 0.39 H new ATOM 0 HD2 LYS A 35 21.705 -5.989 1.478 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.573 -6.939 2.944 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.088 -8.968 1.578 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.240 -8.014 0.116 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 23.315 -9.014 0.426 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 23.546 -7.420 0.963 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.352 -8.675 2.090 1.00 1.29 H new ATOM 567 N GLU A 36 18.030 -4.006 5.121 1.00 0.29 N ATOM 568 CA GLU A 36 17.785 -3.680 6.520 1.00 0.32 C ATOM 569 C GLU A 36 16.325 -3.382 6.767 1.00 0.31 C ATOM 570 O GLU A 36 15.734 -3.917 7.691 1.00 0.39 O ATOM 571 CB GLU A 36 18.627 -2.490 6.943 1.00 0.36 C ATOM 572 CG GLU A 36 20.085 -2.677 6.619 1.00 0.37 C ATOM 573 CD GLU A 36 20.926 -1.484 7.010 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.179 -1.298 8.218 1.00 1.31 O ATOM 575 OE2 GLU A 36 21.343 -0.723 6.114 1.00 1.14 O ATOM 0 H GLU A 36 18.697 -3.390 4.656 1.00 0.29 H new ATOM 0 HA GLU A 36 18.065 -4.550 7.114 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.259 -1.592 6.446 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.513 -2.330 8.015 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.457 -3.563 7.134 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.195 -2.860 5.550 1.00 0.37 H new ATOM 582 N LEU A 37 15.747 -2.545 5.934 1.00 0.27 N ATOM 583 CA LEU A 37 14.356 -2.178 6.092 1.00 0.26 C ATOM 584 C LEU A 37 13.474 -3.418 5.982 1.00 0.27 C ATOM 585 O LEU A 37 12.661 -3.681 6.853 1.00 0.31 O ATOM 586 CB LEU A 37 13.970 -1.133 5.039 1.00 0.24 C ATOM 587 CG LEU A 37 12.641 -0.404 5.281 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.574 0.875 4.464 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.466 -1.296 4.926 1.00 0.50 C ATOM 0 H LEU A 37 16.217 -2.106 5.142 1.00 0.27 H new ATOM 0 HA LEU A 37 14.207 -1.741 7.079 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.766 -0.390 4.982 1.00 0.24 H new ATOM 0 HB3 LEU A 37 13.922 -1.624 4.067 1.00 0.24 H new ATOM 0 HG LEU A 37 12.587 -0.152 6.340 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.624 1.376 4.650 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.394 1.533 4.751 1.00 0.29 H new ATOM 0 HD13 LEU A 37 12.656 0.634 3.404 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.534 -0.759 5.105 1.00 0.50 H new ATOM 0 HD22 LEU A 37 11.527 -1.576 3.874 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.492 -2.194 5.543 1.00 0.50 H new ATOM 601 N LEU A 38 13.656 -4.190 4.924 1.00 0.27 N ATOM 602 CA LEU A 38 12.853 -5.386 4.714 1.00 0.29 C ATOM 603 C LEU A 38 12.998 -6.365 5.876 1.00 0.31 C ATOM 604 O LEU A 38 12.017 -6.766 6.481 1.00 0.40 O ATOM 605 CB LEU A 38 13.251 -6.063 3.408 1.00 0.32 C ATOM 606 CG LEU A 38 12.352 -5.766 2.205 1.00 0.34 C ATOM 607 CD1 LEU A 38 10.973 -6.359 2.421 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.248 -4.271 1.954 1.00 0.43 C ATOM 0 H LEU A 38 14.350 -4.012 4.198 1.00 0.27 H new ATOM 0 HA LEU A 38 11.808 -5.082 4.658 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.269 -5.763 3.160 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.267 -7.141 3.569 1.00 0.32 H new ATOM 0 HG LEU A 38 12.802 -6.226 1.325 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.344 -6.141 1.558 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.057 -7.439 2.545 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.526 -5.925 3.315 1.00 0.31 H new ATOM 0 HD21 LEU A 38 11.603 -4.090 1.094 1.00 0.43 H new ATOM 0 HD22 LEU A 38 11.826 -3.783 2.833 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.240 -3.866 1.755 1.00 0.43 H new ATOM 620 N THR A 39 14.224 -6.752 6.163 1.00 0.32 N ATOM 621 CA THR A 39 14.520 -7.653 7.276 1.00 0.33 C ATOM 622 C THR A 39 13.970 -7.152 8.620 1.00 0.34 C ATOM 623 O THR A 39 13.466 -7.935 9.425 1.00 0.38 O ATOM 624 CB THR A 39 16.041 -7.855 7.412 1.00 0.33 C ATOM 625 OG1 THR A 39 16.695 -6.595 7.607 1.00 0.32 O ATOM 626 CG2 THR A 39 16.603 -8.515 6.170 1.00 0.35 C ATOM 0 H THR A 39 15.047 -6.456 5.637 1.00 0.32 H new ATOM 0 HA THR A 39 14.024 -8.595 7.041 1.00 0.33 H new ATOM 0 HB THR A 39 16.220 -8.497 8.275 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.737 -6.113 6.755 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.679 -8.650 6.284 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.129 -9.486 6.028 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.406 -7.885 5.303 1.00 0.35 H new ATOM 634 N ARG A 40 14.077 -5.854 8.850 1.00 0.34 N ATOM 635 CA ARG A 40 13.782 -5.262 10.158 1.00 0.37 C ATOM 636 C ARG A 40 12.341 -4.786 10.302 1.00 0.40 C ATOM 637 O ARG A 40 11.716 -5.012 11.340 1.00 0.47 O ATOM 638 CB ARG A 40 14.775 -4.129 10.412 1.00 0.37 C ATOM 639 CG ARG A 40 16.136 -4.651 10.847 1.00 0.63 C ATOM 640 CD ARG A 40 17.218 -3.593 10.757 1.00 0.56 C ATOM 641 NE ARG A 40 18.551 -4.166 10.947 1.00 1.16 N ATOM 642 CZ ARG A 40 19.621 -3.470 11.331 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.512 -2.176 11.608 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.797 -4.074 11.446 1.00 2.31 N ATOM 0 H ARG A 40 14.369 -5.178 8.144 1.00 0.34 H new ATOM 0 HA ARG A 40 13.895 -6.039 10.914 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.887 -3.535 9.505 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.379 -3.465 11.180 1.00 0.37 H new ATOM 0 HG2 ARG A 40 16.072 -5.014 11.873 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.411 -5.502 10.224 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.168 -3.103 9.785 1.00 0.56 H new ATOM 0 HD3 ARG A 40 17.041 -2.826 11.511 1.00 0.56 H new ATOM 0 HE ARG A 40 18.669 -5.164 10.774 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.607 -1.712 11.527 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.333 -1.646 11.902 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.881 -5.070 11.241 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.617 -3.543 11.740 1.00 2.31 H new ATOM 658 N GLU A 41 11.808 -4.152 9.278 1.00 0.40 N ATOM 659 CA GLU A 41 10.455 -3.630 9.336 1.00 0.46 C ATOM 660 C GLU A 41 9.477 -4.672 8.814 1.00 0.54 C ATOM 661 O GLU A 41 8.358 -4.802 9.295 1.00 0.85 O ATOM 662 CB GLU A 41 10.370 -2.361 8.491 1.00 0.52 C ATOM 663 CG GLU A 41 11.523 -1.383 8.727 1.00 0.53 C ATOM 664 CD GLU A 41 11.635 -0.878 10.158 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.070 -1.639 11.042 1.00 1.02 O ATOM 666 OE2 GLU A 41 11.315 0.304 10.409 1.00 1.30 O ATOM 0 H GLU A 41 12.290 -3.985 8.395 1.00 0.40 H new ATOM 0 HA GLU A 41 10.197 -3.395 10.369 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.351 -2.638 7.437 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.428 -1.856 8.705 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.459 -1.870 8.452 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.401 -0.529 8.061 1.00 0.53 H new ATOM 673 N LEU A 42 9.939 -5.489 7.883 1.00 0.40 N ATOM 674 CA LEU A 42 9.084 -6.494 7.271 1.00 0.41 C ATOM 675 C LEU A 42 9.592 -7.933 7.525 1.00 0.37 C ATOM 676 O LEU A 42 9.663 -8.735 6.588 1.00 0.36 O ATOM 677 CB LEU A 42 8.994 -6.204 5.766 1.00 0.44 C ATOM 678 CG LEU A 42 8.273 -4.900 5.399 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.674 -4.422 4.016 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.776 -5.105 5.440 1.00 0.74 C ATOM 0 H LEU A 42 10.898 -5.477 7.535 1.00 0.40 H new ATOM 0 HA LEU A 42 8.096 -6.436 7.727 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.004 -6.171 5.357 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.481 -7.034 5.281 1.00 0.44 H new ATOM 0 HG LEU A 42 8.562 -4.143 6.128 1.00 0.50 H new ATOM 0 HD11 LEU A 42 8.147 -3.496 3.784 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.749 -4.244 3.990 1.00 0.65 H new ATOM 0 HD13 LEU A 42 8.414 -5.182 3.279 1.00 0.65 H new ATOM 0 HD21 LEU A 42 6.274 -4.174 5.178 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.495 -5.881 4.728 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.478 -5.408 6.444 1.00 0.74 H new ATOM 692 N PRO A 43 9.935 -8.296 8.798 1.00 0.40 N ATOM 693 CA PRO A 43 10.464 -9.627 9.146 1.00 0.44 C ATOM 694 C PRO A 43 9.610 -10.785 8.665 1.00 0.45 C ATOM 695 O PRO A 43 10.124 -11.854 8.381 1.00 0.49 O ATOM 696 CB PRO A 43 10.451 -9.627 10.670 1.00 0.51 C ATOM 697 CG PRO A 43 10.609 -8.206 11.045 1.00 0.48 C ATOM 698 CD PRO A 43 9.872 -7.431 9.995 1.00 0.44 C ATOM 0 HA PRO A 43 11.438 -9.773 8.678 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.519 -10.038 11.058 1.00 0.51 H new ATOM 0 HB3 PRO A 43 11.260 -10.236 11.073 1.00 0.51 H new ATOM 0 HG2 PRO A 43 10.198 -8.013 12.036 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.661 -7.923 11.076 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.842 -7.237 10.293 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.339 -6.463 9.813 1.00 0.44 H new ATOM 706 N SER A 44 8.307 -10.587 8.613 1.00 0.45 N ATOM 707 CA SER A 44 7.404 -11.654 8.225 1.00 0.47 C ATOM 708 C SER A 44 7.499 -11.882 6.722 1.00 0.44 C ATOM 709 O SER A 44 7.712 -13.004 6.234 1.00 0.45 O ATOM 710 CB SER A 44 5.977 -11.290 8.623 1.00 0.51 C ATOM 711 OG SER A 44 5.082 -12.360 8.380 1.00 0.59 O ATOM 0 H SER A 44 7.851 -9.702 8.833 1.00 0.45 H new ATOM 0 HA SER A 44 7.684 -12.575 8.737 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.949 -11.024 9.680 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.655 -10.411 8.064 1.00 0.51 H new ATOM 0 HG SER A 44 4.177 -12.096 8.647 1.00 0.59 H new ATOM 717 N PHE A 45 7.417 -10.766 6.019 1.00 0.42 N ATOM 718 CA PHE A 45 7.341 -10.717 4.574 1.00 0.41 C ATOM 719 C PHE A 45 8.524 -11.414 3.917 1.00 0.42 C ATOM 720 O PHE A 45 8.341 -12.359 3.150 1.00 0.46 O ATOM 721 CB PHE A 45 7.230 -9.248 4.183 1.00 0.45 C ATOM 722 CG PHE A 45 6.030 -8.609 4.841 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.099 -8.135 6.145 1.00 1.81 C ATOM 724 CD2 PHE A 45 4.828 -8.516 4.171 1.00 1.83 C ATOM 725 CE1 PHE A 45 4.992 -7.576 6.757 1.00 2.38 C ATOM 726 CE2 PHE A 45 3.715 -7.961 4.780 1.00 2.38 C ATOM 727 CZ PHE A 45 3.800 -7.489 6.074 1.00 2.41 C ATOM 0 H PHE A 45 7.401 -9.843 6.453 1.00 0.42 H new ATOM 0 HA PHE A 45 6.467 -11.262 4.216 1.00 0.41 H new ATOM 0 HB2 PHE A 45 8.137 -8.719 4.477 1.00 0.45 H new ATOM 0 HB3 PHE A 45 7.147 -9.160 3.100 1.00 0.45 H new ATOM 0 HD1 PHE A 45 7.030 -8.204 6.688 1.00 1.81 H new ATOM 0 HD2 PHE A 45 4.754 -8.881 3.157 1.00 1.83 H new ATOM 0 HE1 PHE A 45 5.063 -7.208 7.770 1.00 2.38 H new ATOM 0 HE2 PHE A 45 2.781 -7.898 4.242 1.00 2.38 H new ATOM 0 HZ PHE A 45 2.934 -7.053 6.549 1.00 2.41 H new ATOM 737 N LEU A 46 9.731 -10.970 4.218 1.00 0.45 N ATOM 738 CA LEU A 46 10.912 -11.652 3.712 1.00 0.57 C ATOM 739 C LEU A 46 11.416 -12.705 4.680 1.00 0.65 C ATOM 740 O LEU A 46 12.369 -13.411 4.383 1.00 0.66 O ATOM 741 CB LEU A 46 12.025 -10.677 3.377 1.00 0.67 C ATOM 742 CG LEU A 46 11.821 -9.883 2.095 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.096 -9.152 1.755 1.00 0.71 C ATOM 744 CD2 LEU A 46 11.395 -10.789 0.944 1.00 0.55 C ATOM 0 H LEU A 46 9.920 -10.154 4.800 1.00 0.45 H new ATOM 0 HA LEU A 46 10.607 -12.153 2.793 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.136 -9.978 4.206 1.00 0.67 H new ATOM 0 HB3 LEU A 46 12.961 -11.230 3.299 1.00 0.67 H new ATOM 0 HG LEU A 46 11.020 -9.161 2.252 1.00 0.57 H new ATOM 0 HD11 LEU A 46 12.955 -8.582 0.837 1.00 0.71 H new ATOM 0 HD12 LEU A 46 13.354 -8.473 2.568 1.00 0.71 H new ATOM 0 HD13 LEU A 46 13.902 -9.872 1.614 1.00 0.71 H new ATOM 0 HD21 LEU A 46 11.257 -10.192 0.043 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.165 -11.540 0.768 1.00 0.55 H new ATOM 0 HD23 LEU A 46 10.458 -11.284 1.198 1.00 0.55 H new ATOM 756 N GLY A 47 10.784 -12.819 5.836 1.00 0.74 N ATOM 757 CA GLY A 47 11.114 -13.909 6.735 1.00 0.90 C ATOM 758 C GLY A 47 10.891 -15.230 6.051 1.00 0.89 C ATOM 759 O GLY A 47 11.559 -16.226 6.337 1.00 0.99 O ATOM 0 H GLY A 47 10.056 -12.186 6.168 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.153 -13.826 7.053 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.500 -13.848 7.634 1.00 0.90 H new ATOM 763 N LYS A 48 9.939 -15.226 5.134 1.00 0.79 N ATOM 764 CA LYS A 48 9.703 -16.367 4.272 1.00 0.82 C ATOM 765 C LYS A 48 10.803 -16.541 3.228 1.00 0.78 C ATOM 766 O LYS A 48 11.118 -17.664 2.836 1.00 0.87 O ATOM 767 CB LYS A 48 8.380 -16.211 3.548 1.00 0.82 C ATOM 768 CG LYS A 48 7.153 -16.357 4.434 1.00 1.08 C ATOM 769 CD LYS A 48 7.098 -17.720 5.105 1.00 1.51 C ATOM 770 CE LYS A 48 5.821 -17.894 5.909 1.00 2.27 C ATOM 771 NZ LYS A 48 5.660 -16.838 6.944 1.00 3.17 N ATOM 0 H LYS A 48 9.313 -14.438 4.968 1.00 0.79 H new ATOM 0 HA LYS A 48 9.691 -17.247 4.915 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.354 -15.230 3.073 1.00 0.82 H new ATOM 0 HB3 LYS A 48 8.327 -16.953 2.751 1.00 0.82 H new ATOM 0 HG2 LYS A 48 7.160 -15.577 5.196 1.00 1.08 H new ATOM 0 HG3 LYS A 48 6.254 -16.210 3.836 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.162 -18.502 4.348 1.00 1.51 H new ATOM 0 HD3 LYS A 48 7.961 -17.839 5.760 1.00 1.51 H new ATOM 0 HE2 LYS A 48 4.964 -17.874 5.236 1.00 2.27 H new ATOM 0 HE3 LYS A 48 5.826 -18.873 6.389 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 4.861 -17.079 7.565 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 6.530 -16.771 7.509 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 5.475 -15.925 6.482 1.00 3.17 H new ATOM 785 N ARG A 49 11.386 -15.439 2.775 1.00 0.73 N ATOM 786 CA ARG A 49 12.301 -15.490 1.644 1.00 0.81 C ATOM 787 C ARG A 49 13.362 -14.392 1.732 1.00 0.74 C ATOM 788 O ARG A 49 13.273 -13.372 1.052 1.00 1.00 O ATOM 789 CB ARG A 49 11.506 -15.355 0.340 1.00 0.95 C ATOM 790 CG ARG A 49 12.061 -16.170 -0.822 1.00 1.17 C ATOM 791 CD ARG A 49 13.493 -15.790 -1.150 1.00 1.02 C ATOM 792 NE ARG A 49 13.992 -16.492 -2.330 1.00 1.61 N ATOM 793 CZ ARG A 49 15.079 -17.264 -2.349 1.00 1.87 C ATOM 794 NH1 ARG A 49 15.744 -17.523 -1.226 1.00 2.14 N ATOM 795 NH2 ARG A 49 15.487 -17.801 -3.492 1.00 2.50 N ATOM 0 H ARG A 49 11.244 -14.509 3.169 1.00 0.73 H new ATOM 0 HA ARG A 49 12.818 -16.449 1.662 1.00 0.81 H new ATOM 0 HB2 ARG A 49 10.476 -15.661 0.523 1.00 0.95 H new ATOM 0 HB3 ARG A 49 11.480 -14.304 0.051 1.00 0.95 H new ATOM 0 HG2 ARG A 49 12.015 -17.231 -0.576 1.00 1.17 H new ATOM 0 HG3 ARG A 49 11.435 -16.020 -1.702 1.00 1.17 H new ATOM 0 HD2 ARG A 49 13.553 -14.714 -1.316 1.00 1.02 H new ATOM 0 HD3 ARG A 49 14.132 -16.017 -0.297 1.00 1.02 H new ATOM 0 HE ARG A 49 13.472 -16.384 -3.201 1.00 1.61 H new ATOM 0 HH11 ARG A 49 15.423 -17.130 -0.341 1.00 2.14 H new ATOM 0 HH12 ARG A 49 16.575 -18.115 -1.250 1.00 2.14 H new ATOM 0 HH21 ARG A 49 14.969 -17.623 -4.353 1.00 2.50 H new ATOM 0 HH22 ARG A 49 16.318 -18.392 -3.510 1.00 2.50 H new ATOM 809 N THR A 50 14.360 -14.604 2.571 1.00 0.76 N ATOM 810 CA THR A 50 15.483 -13.673 2.665 1.00 0.73 C ATOM 811 C THR A 50 16.731 -14.245 2.007 1.00 0.82 C ATOM 812 O THR A 50 17.264 -15.268 2.436 1.00 1.33 O ATOM 813 CB THR A 50 15.822 -13.292 4.120 1.00 0.74 C ATOM 814 OG1 THR A 50 15.577 -14.404 4.992 1.00 0.84 O ATOM 815 CG2 THR A 50 15.017 -12.090 4.580 1.00 0.63 C ATOM 0 H THR A 50 14.421 -15.407 3.197 1.00 0.76 H new ATOM 0 HA THR A 50 15.164 -12.773 2.139 1.00 0.73 H new ATOM 0 HB THR A 50 16.879 -13.027 4.158 1.00 0.74 H new ATOM 0 HG1 THR A 50 15.797 -14.152 5.913 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.280 -11.848 5.610 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.239 -11.237 3.939 1.00 0.63 H new ATOM 0 HG23 THR A 50 13.953 -12.321 4.522 1.00 0.63 H new ATOM 823 N ASP A 51 17.175 -13.585 0.953 1.00 0.57 N ATOM 824 CA ASP A 51 18.410 -13.943 0.275 1.00 0.62 C ATOM 825 C ASP A 51 18.877 -12.751 -0.533 1.00 0.58 C ATOM 826 O ASP A 51 18.045 -11.960 -0.969 1.00 0.55 O ATOM 827 CB ASP A 51 18.203 -15.153 -0.643 1.00 0.69 C ATOM 828 CG ASP A 51 19.503 -15.667 -1.231 1.00 1.26 C ATOM 829 OD1 ASP A 51 19.928 -15.160 -2.291 1.00 2.01 O ATOM 830 OD2 ASP A 51 20.102 -16.584 -0.635 1.00 1.78 O ATOM 0 H ASP A 51 16.691 -12.786 0.542 1.00 0.57 H new ATOM 0 HA ASP A 51 19.162 -14.215 1.016 1.00 0.62 H new ATOM 0 HB2 ASP A 51 17.721 -15.953 -0.081 1.00 0.69 H new ATOM 0 HB3 ASP A 51 17.526 -14.879 -1.452 1.00 0.69 H new ATOM 835 N GLU A 52 20.176 -12.595 -0.728 1.00 0.67 N ATOM 836 CA GLU A 52 20.685 -11.443 -1.474 1.00 0.71 C ATOM 837 C GLU A 52 20.067 -11.395 -2.867 1.00 0.67 C ATOM 838 O GLU A 52 19.706 -10.325 -3.361 1.00 0.63 O ATOM 839 CB GLU A 52 22.204 -11.472 -1.580 1.00 0.87 C ATOM 840 CG GLU A 52 22.902 -11.610 -0.241 1.00 0.95 C ATOM 841 CD GLU A 52 24.381 -11.305 -0.326 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.154 -12.186 -0.755 1.00 1.81 O ATOM 843 OE2 GLU A 52 24.772 -10.172 0.024 1.00 1.91 O ATOM 0 H GLU A 52 20.892 -13.237 -0.389 1.00 0.67 H new ATOM 0 HA GLU A 52 20.402 -10.545 -0.925 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.500 -12.302 -2.222 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.544 -10.557 -2.065 1.00 0.87 H new ATOM 0 HG2 GLU A 52 22.436 -10.937 0.479 1.00 0.95 H new ATOM 0 HG3 GLU A 52 22.764 -12.624 0.134 1.00 0.95 H new ATOM 850 N ALA A 53 19.911 -12.564 -3.476 1.00 0.71 N ATOM 851 CA ALA A 53 19.285 -12.664 -4.783 1.00 0.76 C ATOM 852 C ALA A 53 17.818 -12.264 -4.694 1.00 0.66 C ATOM 853 O ALA A 53 17.285 -11.629 -5.598 1.00 0.69 O ATOM 854 CB ALA A 53 19.417 -14.072 -5.339 1.00 0.91 C ATOM 0 H ALA A 53 20.211 -13.456 -3.083 1.00 0.71 H new ATOM 0 HA ALA A 53 19.796 -11.981 -5.462 1.00 0.76 H new ATOM 0 HB1 ALA A 53 18.941 -14.123 -6.318 1.00 0.91 H new ATOM 0 HB2 ALA A 53 20.472 -14.328 -5.435 1.00 0.91 H new ATOM 0 HB3 ALA A 53 18.933 -14.777 -4.663 1.00 0.91 H new ATOM 860 N ALA A 54 17.182 -12.619 -3.584 1.00 0.60 N ATOM 861 CA ALA A 54 15.790 -12.269 -3.354 1.00 0.59 C ATOM 862 C ALA A 54 15.651 -10.765 -3.199 1.00 0.48 C ATOM 863 O ALA A 54 14.718 -10.166 -3.718 1.00 0.46 O ATOM 864 CB ALA A 54 15.258 -12.983 -2.123 1.00 0.64 C ATOM 0 H ALA A 54 17.612 -13.151 -2.828 1.00 0.60 H new ATOM 0 HA ALA A 54 15.202 -12.588 -4.214 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.215 -12.709 -1.966 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.333 -14.061 -2.267 1.00 0.64 H new ATOM 0 HB3 ALA A 54 15.845 -12.692 -1.252 1.00 0.64 H new ATOM 870 N PHE A 55 16.598 -10.163 -2.490 1.00 0.46 N ATOM 871 CA PHE A 55 16.634 -8.716 -2.333 1.00 0.42 C ATOM 872 C PHE A 55 16.855 -8.035 -3.671 1.00 0.44 C ATOM 873 O PHE A 55 16.235 -7.024 -3.966 1.00 0.45 O ATOM 874 CB PHE A 55 17.739 -8.299 -1.366 1.00 0.44 C ATOM 875 CG PHE A 55 17.417 -8.572 0.076 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.497 -7.788 0.753 1.00 1.87 C ATOM 877 CD2 PHE A 55 18.029 -9.613 0.754 1.00 1.98 C ATOM 878 CE1 PHE A 55 16.198 -8.040 2.077 1.00 2.70 C ATOM 879 CE2 PHE A 55 17.732 -9.869 2.077 1.00 2.77 C ATOM 880 CZ PHE A 55 16.816 -9.082 2.739 1.00 2.95 C ATOM 0 H PHE A 55 17.353 -10.657 -2.014 1.00 0.46 H new ATOM 0 HA PHE A 55 15.671 -8.406 -1.927 1.00 0.42 H new ATOM 0 HB2 PHE A 55 18.657 -8.824 -1.629 1.00 0.44 H new ATOM 0 HB3 PHE A 55 17.935 -7.234 -1.490 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.009 -6.972 0.240 1.00 1.87 H new ATOM 0 HD2 PHE A 55 18.749 -10.233 0.240 1.00 1.98 H new ATOM 0 HE1 PHE A 55 15.480 -7.422 2.595 1.00 2.70 H new ATOM 0 HE2 PHE A 55 18.217 -10.685 2.592 1.00 2.77 H new ATOM 0 HZ PHE A 55 16.581 -9.280 3.775 1.00 2.95 H new ATOM 890 N GLN A 56 17.750 -8.596 -4.468 1.00 0.49 N ATOM 891 CA GLN A 56 18.032 -8.075 -5.797 1.00 0.54 C ATOM 892 C GLN A 56 16.800 -8.181 -6.690 1.00 0.53 C ATOM 893 O GLN A 56 16.433 -7.221 -7.369 1.00 0.57 O ATOM 894 CB GLN A 56 19.204 -8.835 -6.417 1.00 0.62 C ATOM 895 CG GLN A 56 19.511 -8.433 -7.848 1.00 0.76 C ATOM 896 CD GLN A 56 19.896 -6.972 -7.989 1.00 0.98 C ATOM 897 OE1 GLN A 56 21.066 -6.615 -7.880 1.00 1.69 O ATOM 898 NE2 GLN A 56 18.917 -6.119 -8.252 1.00 0.87 N ATOM 0 H GLN A 56 18.298 -9.419 -4.215 1.00 0.49 H new ATOM 0 HA GLN A 56 18.299 -7.022 -5.708 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.092 -8.674 -5.806 1.00 0.62 H new ATOM 0 HB3 GLN A 56 18.987 -9.903 -6.389 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.323 -9.054 -8.227 1.00 0.76 H new ATOM 0 HG3 GLN A 56 18.639 -8.634 -8.470 1.00 0.76 H new ATOM 0 HE21 GLN A 56 17.957 -6.454 -8.335 1.00 0.87 H new ATOM 0 HE22 GLN A 56 19.123 -5.127 -8.371 1.00 0.87 H new ATOM 907 N LYS A 57 16.163 -9.346 -6.682 1.00 0.51 N ATOM 908 CA LYS A 57 14.963 -9.558 -7.477 1.00 0.52 C ATOM 909 C LYS A 57 13.846 -8.637 -7.011 1.00 0.48 C ATOM 910 O LYS A 57 13.221 -7.958 -7.820 1.00 0.48 O ATOM 911 CB LYS A 57 14.509 -11.018 -7.410 1.00 0.55 C ATOM 912 CG LYS A 57 14.721 -11.777 -8.712 1.00 0.76 C ATOM 913 CD LYS A 57 16.197 -11.917 -9.061 1.00 1.01 C ATOM 914 CE LYS A 57 16.882 -12.972 -8.206 1.00 0.87 C ATOM 915 NZ LYS A 57 16.299 -14.323 -8.414 1.00 1.60 N ATOM 0 H LYS A 57 16.457 -10.155 -6.135 1.00 0.51 H new ATOM 0 HA LYS A 57 15.202 -9.323 -8.514 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.052 -11.523 -6.611 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.452 -11.050 -7.147 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.273 -12.767 -8.631 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.205 -11.259 -9.521 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.298 -12.181 -10.114 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.696 -10.958 -8.923 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.946 -12.996 -8.443 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.796 -12.698 -7.154 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 16.983 -15.046 -8.114 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 15.429 -14.416 -7.852 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 16.076 -14.454 -9.421 1.00 1.60 H new ATOM 929 N LEU A 58 13.614 -8.609 -5.702 1.00 0.46 N ATOM 930 CA LEU A 58 12.610 -7.739 -5.117 1.00 0.43 C ATOM 931 C LEU A 58 12.900 -6.290 -5.461 1.00 0.43 C ATOM 932 O LEU A 58 11.995 -5.532 -5.804 1.00 0.42 O ATOM 933 CB LEU A 58 12.576 -7.907 -3.602 1.00 0.43 C ATOM 934 CG LEU A 58 11.457 -7.144 -2.904 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.107 -7.631 -3.401 1.00 0.40 C ATOM 936 CD2 LEU A 58 11.569 -7.298 -1.398 1.00 0.41 C ATOM 0 H LEU A 58 14.114 -9.185 -5.025 1.00 0.46 H new ATOM 0 HA LEU A 58 11.639 -8.016 -5.528 1.00 0.43 H new ATOM 0 HB2 LEU A 58 12.475 -8.967 -3.369 1.00 0.43 H new ATOM 0 HB3 LEU A 58 13.532 -7.580 -3.192 1.00 0.43 H new ATOM 0 HG LEU A 58 11.550 -6.084 -3.141 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.313 -7.080 -2.897 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.035 -7.468 -4.476 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.003 -8.695 -3.187 1.00 0.40 H new ATOM 0 HD21 LEU A 58 10.762 -6.747 -0.915 1.00 0.41 H new ATOM 0 HD22 LEU A 58 11.497 -8.353 -1.134 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.529 -6.905 -1.062 1.00 0.41 H new ATOM 948 N MET A 59 14.167 -5.919 -5.362 1.00 0.46 N ATOM 949 CA MET A 59 14.616 -4.596 -5.753 1.00 0.48 C ATOM 950 C MET A 59 14.155 -4.291 -7.162 1.00 0.48 C ATOM 951 O MET A 59 13.383 -3.374 -7.369 1.00 0.49 O ATOM 952 CB MET A 59 16.141 -4.506 -5.653 1.00 0.54 C ATOM 953 CG MET A 59 16.743 -3.273 -6.308 1.00 0.57 C ATOM 954 SD MET A 59 18.235 -2.712 -5.477 1.00 1.64 S ATOM 955 CE MET A 59 17.541 -2.029 -3.976 1.00 2.39 C ATOM 0 H MET A 59 14.908 -6.525 -5.010 1.00 0.46 H new ATOM 0 HA MET A 59 14.183 -3.858 -5.078 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.425 -4.518 -4.601 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.576 -5.394 -6.111 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.973 -3.495 -7.350 1.00 0.57 H new ATOM 0 HG3 MET A 59 16.007 -2.469 -6.308 1.00 0.57 H new ATOM 0 HE1 MET A 59 18.076 -1.118 -3.709 1.00 2.39 H new ATOM 0 HE2 MET A 59 16.488 -1.798 -4.135 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.636 -2.755 -3.168 1.00 2.39 H new ATOM 965 N SER A 60 14.588 -5.105 -8.106 1.00 0.50 N ATOM 966 CA SER A 60 14.235 -4.926 -9.512 1.00 0.53 C ATOM 967 C SER A 60 12.713 -4.952 -9.735 1.00 0.52 C ATOM 968 O SER A 60 12.213 -4.381 -10.703 1.00 0.56 O ATOM 969 CB SER A 60 14.913 -6.010 -10.345 1.00 0.56 C ATOM 970 OG SER A 60 16.311 -6.030 -10.103 1.00 1.35 O ATOM 0 H SER A 60 15.192 -5.907 -7.927 1.00 0.50 H new ATOM 0 HA SER A 60 14.586 -3.943 -9.826 1.00 0.53 H new ATOM 0 HB2 SER A 60 14.484 -6.982 -10.104 1.00 0.56 H new ATOM 0 HB3 SER A 60 14.725 -5.832 -11.404 1.00 0.56 H new ATOM 0 HG SER A 60 16.727 -6.733 -10.645 1.00 1.35 H new ATOM 976 N ASN A 61 11.986 -5.611 -8.838 1.00 0.49 N ATOM 977 CA ASN A 61 10.526 -5.677 -8.919 1.00 0.51 C ATOM 978 C ASN A 61 9.914 -4.315 -8.636 1.00 0.50 C ATOM 979 O ASN A 61 9.016 -3.857 -9.342 1.00 0.57 O ATOM 980 CB ASN A 61 9.956 -6.684 -7.913 1.00 0.49 C ATOM 981 CG ASN A 61 10.245 -8.125 -8.277 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.362 -8.469 -9.452 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.352 -8.983 -7.272 1.00 0.58 N ATOM 0 H ASN A 61 12.384 -6.110 -8.042 1.00 0.49 H new ATOM 0 HA ASN A 61 10.275 -5.997 -9.930 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.371 -6.476 -6.927 1.00 0.49 H new ATOM 0 HB3 ASN A 61 8.877 -6.544 -7.841 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.538 -9.968 -7.460 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.248 -8.658 -6.311 1.00 0.58 H new ATOM 990 N LEU A 62 10.413 -3.680 -7.593 1.00 0.44 N ATOM 991 CA LEU A 62 9.874 -2.412 -7.126 1.00 0.44 C ATOM 992 C LEU A 62 10.547 -1.267 -7.861 1.00 0.49 C ATOM 993 O LEU A 62 9.888 -0.358 -8.363 1.00 0.55 O ATOM 994 CB LEU A 62 10.122 -2.284 -5.625 1.00 0.38 C ATOM 995 CG LEU A 62 9.982 -3.588 -4.840 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.304 -3.369 -3.370 1.00 0.31 C ATOM 997 CD2 LEU A 62 8.589 -4.176 -5.019 1.00 0.35 C ATOM 0 H LEU A 62 11.201 -4.025 -7.045 1.00 0.44 H new ATOM 0 HA LEU A 62 8.802 -2.375 -7.321 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.126 -1.888 -5.469 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.424 -1.553 -5.216 1.00 0.38 H new ATOM 0 HG LEU A 62 10.701 -4.306 -5.234 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.198 -4.310 -2.830 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.328 -3.008 -3.272 1.00 0.31 H new ATOM 0 HD13 LEU A 62 9.617 -2.632 -2.953 1.00 0.31 H new ATOM 0 HD21 LEU A 62 8.510 -5.104 -4.452 1.00 0.35 H new ATOM 0 HD22 LEU A 62 7.845 -3.466 -4.658 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.413 -4.380 -6.075 1.00 0.35 H new ATOM 1009 N ASP A 63 11.869 -1.350 -7.907 1.00 0.48 N ATOM 1010 CA ASP A 63 12.730 -0.410 -8.616 1.00 0.54 C ATOM 1011 C ASP A 63 12.444 -0.481 -10.115 1.00 0.57 C ATOM 1012 O ASP A 63 13.164 -1.118 -10.878 1.00 0.63 O ATOM 1013 CB ASP A 63 14.193 -0.770 -8.281 1.00 0.56 C ATOM 1014 CG ASP A 63 15.253 -0.039 -9.075 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.390 1.190 -8.931 1.00 1.24 O ATOM 1016 OD2 ASP A 63 16.002 -0.713 -9.811 1.00 1.34 O ATOM 0 H ASP A 63 12.388 -2.093 -7.440 1.00 0.48 H new ATOM 0 HA ASP A 63 12.540 0.618 -8.307 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.361 -0.575 -7.222 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.327 -1.841 -8.433 1.00 0.56 H new ATOM 1021 N SER A 64 11.358 0.164 -10.519 1.00 0.59 N ATOM 1022 CA SER A 64 10.912 0.147 -11.902 1.00 0.64 C ATOM 1023 C SER A 64 11.745 1.123 -12.713 1.00 0.66 C ATOM 1024 O SER A 64 11.855 1.016 -13.939 1.00 0.76 O ATOM 1025 CB SER A 64 9.426 0.509 -11.983 1.00 0.72 C ATOM 1026 OG SER A 64 8.920 0.316 -13.294 1.00 1.37 O ATOM 0 H SER A 64 10.764 0.712 -9.897 1.00 0.59 H new ATOM 0 HA SER A 64 11.041 -0.855 -12.312 1.00 0.64 H new ATOM 0 HB2 SER A 64 8.861 -0.103 -11.279 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.286 1.548 -11.686 1.00 0.72 H new ATOM 0 HG SER A 64 7.969 0.553 -13.316 1.00 1.37 H new ATOM 1032 N ASN A 65 12.339 2.075 -12.008 1.00 0.63 N ATOM 1033 CA ASN A 65 13.257 3.024 -12.614 1.00 0.72 C ATOM 1034 C ASN A 65 14.594 2.334 -12.895 1.00 0.69 C ATOM 1035 O ASN A 65 15.447 2.843 -13.621 1.00 0.77 O ATOM 1036 CB ASN A 65 13.455 4.233 -11.695 1.00 0.79 C ATOM 1037 CG ASN A 65 14.402 3.925 -10.562 1.00 1.01 C ATOM 1038 OD1 ASN A 65 15.582 4.248 -10.625 1.00 1.65 O ATOM 1039 ND2 ASN A 65 13.896 3.298 -9.519 1.00 1.16 N ATOM 0 H ASN A 65 12.199 2.210 -11.007 1.00 0.63 H new ATOM 0 HA ASN A 65 12.838 3.379 -13.555 1.00 0.72 H new ATOM 0 HB2 ASN A 65 13.842 5.071 -12.275 1.00 0.79 H new ATOM 0 HB3 ASN A 65 12.492 4.543 -11.290 1.00 0.79 H new ATOM 0 HD21 ASN A 65 14.493 3.064 -8.725 1.00 1.16 H new ATOM 0 HD22 ASN A 65 12.908 3.046 -9.505 1.00 1.16 H new ATOM 1046 N ARG A 66 14.720 1.143 -12.292 1.00 0.60 N ATOM 1047 CA ARG A 66 15.846 0.236 -12.465 1.00 0.60 C ATOM 1048 C ARG A 66 17.196 0.894 -12.241 1.00 0.61 C ATOM 1049 O ARG A 66 18.109 0.765 -13.060 1.00 0.69 O ATOM 1050 CB ARG A 66 15.796 -0.433 -13.825 1.00 0.67 C ATOM 1051 CG ARG A 66 14.621 -1.383 -13.993 1.00 0.71 C ATOM 1052 CD ARG A 66 14.706 -2.564 -13.036 1.00 0.71 C ATOM 1053 NE ARG A 66 13.792 -3.641 -13.414 1.00 0.78 N ATOM 1054 CZ ARG A 66 14.183 -4.873 -13.742 1.00 1.20 C ATOM 1055 NH1 ARG A 66 15.476 -5.179 -13.790 1.00 2.24 N ATOM 1056 NH2 ARG A 66 13.281 -5.803 -14.029 1.00 1.15 N ATOM 0 H ARG A 66 14.014 0.780 -11.651 1.00 0.60 H new ATOM 0 HA ARG A 66 15.744 -0.522 -11.688 1.00 0.60 H new ATOM 0 HB2 ARG A 66 15.745 0.335 -14.597 1.00 0.67 H new ATOM 0 HB3 ARG A 66 16.723 -0.983 -13.984 1.00 0.67 H new ATOM 0 HG2 ARG A 66 13.690 -0.843 -13.822 1.00 0.71 H new ATOM 0 HG3 ARG A 66 14.593 -1.749 -15.020 1.00 0.71 H new ATOM 0 HD2 ARG A 66 15.727 -2.944 -13.019 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.474 -2.229 -12.025 1.00 0.71 H new ATOM 0 HE ARG A 66 12.793 -3.437 -13.428 1.00 0.78 H new ATOM 0 HH11 ARG A 66 16.176 -4.469 -13.575 1.00 2.24 H new ATOM 0 HH12 ARG A 66 15.768 -6.123 -14.042 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.287 -5.576 -13.999 1.00 1.15 H new ATOM 0 HH22 ARG A 66 13.582 -6.745 -14.280 1.00 1.15 H new ATOM 1070 N ASP A 67 17.333 1.554 -11.110 1.00 0.58 N ATOM 1071 CA ASP A 67 18.607 2.142 -10.722 1.00 0.62 C ATOM 1072 C ASP A 67 19.142 1.393 -9.513 1.00 0.56 C ATOM 1073 O ASP A 67 20.236 1.669 -9.016 1.00 0.57 O ATOM 1074 CB ASP A 67 18.448 3.629 -10.404 1.00 0.70 C ATOM 1075 CG ASP A 67 19.762 4.379 -10.430 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.417 4.408 -11.495 1.00 1.72 O ATOM 1077 OD2 ASP A 67 20.137 4.971 -9.403 1.00 1.64 O ATOM 0 H ASP A 67 16.579 1.699 -10.439 1.00 0.58 H new ATOM 0 HA ASP A 67 19.311 2.057 -11.550 1.00 0.62 H new ATOM 0 HB2 ASP A 67 17.764 4.079 -11.124 1.00 0.70 H new ATOM 0 HB3 ASP A 67 17.992 3.739 -9.420 1.00 0.70 H new ATOM 1082 N ASN A 68 18.344 0.426 -9.069 1.00 0.53 N ATOM 1083 CA ASN A 68 18.657 -0.423 -7.925 1.00 0.51 C ATOM 1084 C ASN A 68 18.614 0.359 -6.627 1.00 0.47 C ATOM 1085 O ASN A 68 19.429 0.150 -5.726 1.00 0.48 O ATOM 1086 CB ASN A 68 19.991 -1.149 -8.107 1.00 0.58 C ATOM 1087 CG ASN A 68 19.819 -2.481 -8.820 1.00 0.73 C ATOM 1088 OD1 ASN A 68 20.655 -3.376 -8.698 1.00 1.08 O ATOM 1089 ND2 ASN A 68 18.709 -2.643 -9.530 1.00 0.66 N ATOM 0 H ASN A 68 17.447 0.207 -9.502 1.00 0.53 H new ATOM 0 HA ASN A 68 17.884 -1.189 -7.867 1.00 0.51 H new ATOM 0 HB2 ASN A 68 20.673 -0.518 -8.677 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.450 -1.316 -7.132 1.00 0.58 H new ATOM 0 HD21 ASN A 68 18.527 -3.532 -9.996 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.038 -1.879 -9.609 1.00 0.66 H new ATOM 1096 N GLU A 69 17.653 1.269 -6.554 1.00 0.46 N ATOM 1097 CA GLU A 69 17.298 1.940 -5.315 1.00 0.42 C ATOM 1098 C GLU A 69 15.797 2.200 -5.324 1.00 0.41 C ATOM 1099 O GLU A 69 15.288 2.928 -6.176 1.00 0.44 O ATOM 1100 CB GLU A 69 18.048 3.261 -5.127 1.00 0.46 C ATOM 1101 CG GLU A 69 19.557 3.156 -5.252 1.00 0.50 C ATOM 1102 CD GLU A 69 20.263 4.460 -4.938 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.251 5.367 -5.796 1.00 1.29 O ATOM 1104 OE2 GLU A 69 20.854 4.580 -3.844 1.00 1.31 O ATOM 0 H GLU A 69 17.096 1.563 -7.357 1.00 0.46 H new ATOM 0 HA GLU A 69 17.581 1.294 -4.484 1.00 0.42 H new ATOM 0 HB2 GLU A 69 17.685 3.977 -5.864 1.00 0.46 H new ATOM 0 HB3 GLU A 69 17.806 3.664 -4.144 1.00 0.46 H new ATOM 0 HG2 GLU A 69 19.920 2.380 -4.578 1.00 0.50 H new ATOM 0 HG3 GLU A 69 19.813 2.844 -6.265 1.00 0.50 H new ATOM 1111 N VAL A 70 15.101 1.598 -4.379 1.00 0.37 N ATOM 1112 CA VAL A 70 13.637 1.655 -4.342 1.00 0.36 C ATOM 1113 C VAL A 70 13.127 2.963 -3.744 1.00 0.35 C ATOM 1114 O VAL A 70 13.382 3.264 -2.583 1.00 0.36 O ATOM 1115 CB VAL A 70 13.058 0.472 -3.537 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.589 0.690 -3.205 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.223 -0.818 -4.311 1.00 0.37 C ATOM 0 H VAL A 70 15.520 1.060 -3.620 1.00 0.37 H new ATOM 0 HA VAL A 70 13.300 1.595 -5.377 1.00 0.36 H new ATOM 0 HB VAL A 70 13.611 0.406 -2.600 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.214 -0.162 -2.638 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.481 1.597 -2.611 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.018 0.791 -4.128 1.00 0.34 H new ATOM 0 HG21 VAL A 70 12.811 -1.645 -3.732 1.00 0.37 H new ATOM 0 HG22 VAL A 70 12.695 -0.742 -5.262 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.282 -0.998 -4.497 1.00 0.37 H new ATOM 1127 N ASP A 71 12.388 3.726 -4.539 1.00 0.38 N ATOM 1128 CA ASP A 71 11.797 4.976 -4.064 1.00 0.39 C ATOM 1129 C ASP A 71 10.606 4.678 -3.171 1.00 0.37 C ATOM 1130 O ASP A 71 10.115 3.552 -3.159 1.00 0.35 O ATOM 1131 CB ASP A 71 11.384 5.873 -5.241 1.00 0.45 C ATOM 1132 CG ASP A 71 9.880 6.073 -5.362 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.230 5.279 -6.045 1.00 1.43 O ATOM 1134 OD2 ASP A 71 9.340 7.031 -4.758 1.00 1.35 O ATOM 0 H ASP A 71 12.182 3.504 -5.513 1.00 0.38 H new ATOM 0 HA ASP A 71 12.546 5.515 -3.484 1.00 0.39 H new ATOM 0 HB2 ASP A 71 11.863 6.846 -5.130 1.00 0.45 H new ATOM 0 HB3 ASP A 71 11.759 5.437 -6.167 1.00 0.45 H new ATOM 1139 N PHE A 72 10.134 5.661 -2.417 1.00 0.41 N ATOM 1140 CA PHE A 72 9.031 5.406 -1.511 1.00 0.44 C ATOM 1141 C PHE A 72 7.790 4.971 -2.270 1.00 0.40 C ATOM 1142 O PHE A 72 7.031 4.151 -1.783 1.00 0.42 O ATOM 1143 CB PHE A 72 8.687 6.602 -0.635 1.00 0.54 C ATOM 1144 CG PHE A 72 7.593 6.255 0.327 1.00 0.94 C ATOM 1145 CD1 PHE A 72 7.818 5.329 1.324 1.00 1.70 C ATOM 1146 CD2 PHE A 72 6.337 6.809 0.209 1.00 1.69 C ATOM 1147 CE1 PHE A 72 6.818 4.968 2.193 1.00 2.17 C ATOM 1148 CE2 PHE A 72 5.326 6.448 1.073 1.00 2.18 C ATOM 1149 CZ PHE A 72 5.568 5.526 2.066 1.00 2.15 C ATOM 0 H PHE A 72 10.488 6.617 -2.415 1.00 0.41 H new ATOM 0 HA PHE A 72 9.368 4.602 -0.857 1.00 0.44 H new ATOM 0 HB2 PHE A 72 9.572 6.924 -0.086 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.377 7.440 -1.260 1.00 0.54 H new ATOM 0 HD1 PHE A 72 8.796 4.881 1.423 1.00 1.70 H new ATOM 0 HD2 PHE A 72 6.143 7.533 -0.568 1.00 1.69 H new ATOM 0 HE1 PHE A 72 7.013 4.248 2.974 1.00 2.17 H new ATOM 0 HE2 PHE A 72 4.345 6.888 0.971 1.00 2.18 H new ATOM 0 HZ PHE A 72 4.777 5.241 2.744 1.00 2.15 H new ATOM 1159 N GLN A 73 7.581 5.520 -3.451 1.00 0.38 N ATOM 1160 CA GLN A 73 6.459 5.106 -4.278 1.00 0.37 C ATOM 1161 C GLN A 73 6.603 3.638 -4.667 1.00 0.36 C ATOM 1162 O GLN A 73 5.677 2.851 -4.486 1.00 0.37 O ATOM 1163 CB GLN A 73 6.331 5.996 -5.520 1.00 0.41 C ATOM 1164 CG GLN A 73 5.224 5.558 -6.462 1.00 0.50 C ATOM 1165 CD GLN A 73 5.749 4.925 -7.732 1.00 0.42 C ATOM 1166 OE1 GLN A 73 5.867 5.582 -8.766 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.133 3.665 -7.639 1.00 0.41 N ATOM 0 H GLN A 73 8.167 6.248 -3.859 1.00 0.38 H new ATOM 0 HA GLN A 73 5.543 5.220 -3.697 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.145 7.023 -5.205 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.279 5.994 -6.059 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.577 4.847 -5.948 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.610 6.421 -6.719 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.016 3.160 -6.761 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.547 3.197 -8.445 1.00 0.41 H new ATOM 1176 N GLU A 74 7.764 3.280 -5.201 1.00 0.37 N ATOM 1177 CA GLU A 74 8.070 1.896 -5.547 1.00 0.40 C ATOM 1178 C GLU A 74 7.937 0.992 -4.315 1.00 0.38 C ATOM 1179 O GLU A 74 7.507 -0.157 -4.413 1.00 0.41 O ATOM 1180 CB GLU A 74 9.486 1.819 -6.140 1.00 0.45 C ATOM 1181 CG GLU A 74 9.665 2.677 -7.392 1.00 0.59 C ATOM 1182 CD GLU A 74 11.102 2.756 -7.885 1.00 1.40 C ATOM 1183 OE1 GLU A 74 11.995 3.113 -7.086 1.00 2.04 O ATOM 1184 OE2 GLU A 74 11.341 2.491 -9.087 1.00 2.18 O ATOM 0 H GLU A 74 8.517 3.937 -5.406 1.00 0.37 H new ATOM 0 HA GLU A 74 7.358 1.544 -6.293 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.206 2.135 -5.385 1.00 0.45 H new ATOM 0 HB3 GLU A 74 9.714 0.781 -6.383 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.040 2.275 -8.189 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.307 3.685 -7.184 1.00 0.59 H new ATOM 1191 N TYR A 75 8.275 1.544 -3.155 1.00 0.34 N ATOM 1192 CA TYR A 75 8.174 0.835 -1.884 1.00 0.37 C ATOM 1193 C TYR A 75 6.708 0.730 -1.425 1.00 0.34 C ATOM 1194 O TYR A 75 6.297 -0.264 -0.831 1.00 0.34 O ATOM 1195 CB TYR A 75 9.016 1.564 -0.827 1.00 0.43 C ATOM 1196 CG TYR A 75 8.886 0.988 0.567 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.445 -0.241 0.886 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.201 1.675 1.563 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.325 -0.772 2.156 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.076 1.151 2.837 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.638 -0.074 3.128 1.00 1.84 C ATOM 1202 OH TYR A 75 8.528 -0.601 4.396 1.00 2.33 O ATOM 0 H TYR A 75 8.627 2.497 -3.069 1.00 0.34 H new ATOM 0 HA TYR A 75 8.554 -0.178 -2.015 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.064 1.532 -1.126 1.00 0.43 H new ATOM 0 HB3 TYR A 75 8.723 2.614 -0.804 1.00 0.43 H new ATOM 0 HD1 TYR A 75 9.983 -0.792 0.129 1.00 1.50 H new ATOM 0 HD2 TYR A 75 7.759 2.634 1.338 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.767 -1.730 2.387 1.00 1.86 H new ATOM 0 HE2 TYR A 75 7.541 1.698 3.599 1.00 2.09 H new ATOM 0 HH TYR A 75 7.618 -0.939 4.532 1.00 2.33 H new ATOM 1212 N SER A 76 5.930 1.765 -1.710 1.00 0.35 N ATOM 1213 CA SER A 76 4.510 1.793 -1.370 1.00 0.37 C ATOM 1214 C SER A 76 3.752 0.806 -2.233 1.00 0.36 C ATOM 1215 O SER A 76 2.888 0.066 -1.753 1.00 0.41 O ATOM 1216 CB SER A 76 3.944 3.198 -1.579 1.00 0.41 C ATOM 1217 OG SER A 76 4.577 4.134 -0.733 1.00 1.21 O ATOM 0 H SER A 76 6.261 2.607 -2.181 1.00 0.35 H new ATOM 0 HA SER A 76 4.397 1.516 -0.322 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.077 3.496 -2.619 1.00 0.41 H new ATOM 0 HB3 SER A 76 2.872 3.194 -1.383 1.00 0.41 H new ATOM 0 HG SER A 76 5.544 4.115 -0.890 1.00 1.21 H new ATOM 1223 N VAL A 77 4.094 0.799 -3.514 1.00 0.35 N ATOM 1224 CA VAL A 77 3.534 -0.150 -4.452 1.00 0.36 C ATOM 1225 C VAL A 77 3.895 -1.544 -3.995 1.00 0.33 C ATOM 1226 O VAL A 77 3.131 -2.489 -4.149 1.00 0.33 O ATOM 1227 CB VAL A 77 4.064 0.079 -5.886 1.00 0.40 C ATOM 1228 CG1 VAL A 77 3.612 -1.036 -6.817 1.00 0.43 C ATOM 1229 CG2 VAL A 77 3.612 1.431 -6.415 1.00 0.44 C ATOM 0 H VAL A 77 4.764 1.449 -3.925 1.00 0.35 H new ATOM 0 HA VAL A 77 2.452 -0.017 -4.478 1.00 0.36 H new ATOM 0 HB VAL A 77 5.153 0.070 -5.849 1.00 0.40 H new ATOM 0 HG11 VAL A 77 3.998 -0.852 -7.820 1.00 0.43 H new ATOM 0 HG12 VAL A 77 3.991 -1.991 -6.452 1.00 0.43 H new ATOM 0 HG13 VAL A 77 2.523 -1.066 -6.847 1.00 0.43 H new ATOM 0 HG21 VAL A 77 3.995 1.573 -7.425 1.00 0.44 H new ATOM 0 HG22 VAL A 77 2.523 1.470 -6.431 1.00 0.44 H new ATOM 0 HG23 VAL A 77 3.993 2.221 -5.768 1.00 0.44 H new ATOM 1239 N PHE A 78 5.058 -1.637 -3.385 1.00 0.32 N ATOM 1240 CA PHE A 78 5.541 -2.898 -2.842 1.00 0.29 C ATOM 1241 C PHE A 78 4.625 -3.390 -1.729 1.00 0.27 C ATOM 1242 O PHE A 78 4.029 -4.460 -1.834 1.00 0.28 O ATOM 1243 CB PHE A 78 6.965 -2.744 -2.307 1.00 0.27 C ATOM 1244 CG PHE A 78 7.456 -3.935 -1.531 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.288 -5.224 -2.017 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.087 -3.761 -0.312 1.00 1.18 C ATOM 1247 CE1 PHE A 78 7.739 -6.313 -1.299 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.541 -4.846 0.408 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.366 -6.124 -0.085 1.00 0.37 C ATOM 0 H PHE A 78 5.693 -0.851 -3.250 1.00 0.32 H new ATOM 0 HA PHE A 78 5.543 -3.632 -3.648 1.00 0.29 H new ATOM 0 HB2 PHE A 78 7.640 -2.565 -3.144 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.009 -1.862 -1.667 1.00 0.27 H new ATOM 0 HD1 PHE A 78 6.799 -5.377 -2.968 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.226 -2.764 0.080 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.601 -7.311 -1.687 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.033 -4.696 1.357 1.00 1.19 H new ATOM 0 HZ PHE A 78 8.720 -6.974 0.479 1.00 0.37 H new ATOM 1259 N LEU A 79 4.513 -2.591 -0.675 1.00 0.27 N ATOM 1260 CA LEU A 79 3.724 -2.962 0.496 1.00 0.26 C ATOM 1261 C LEU A 79 2.288 -3.306 0.115 1.00 0.31 C ATOM 1262 O LEU A 79 1.709 -4.264 0.629 1.00 0.33 O ATOM 1263 CB LEU A 79 3.727 -1.832 1.520 1.00 0.29 C ATOM 1264 CG LEU A 79 5.109 -1.419 2.020 1.00 0.29 C ATOM 1265 CD1 LEU A 79 4.974 -0.428 3.153 1.00 0.40 C ATOM 1266 CD2 LEU A 79 5.908 -2.630 2.466 1.00 0.30 C ATOM 0 H LEU A 79 4.961 -1.677 -0.606 1.00 0.27 H new ATOM 0 HA LEU A 79 4.184 -3.848 0.934 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.241 -0.961 1.080 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.123 -2.135 2.375 1.00 0.29 H new ATOM 0 HG LEU A 79 5.646 -0.945 1.198 1.00 0.29 H new ATOM 0 HD11 LEU A 79 5.965 -0.139 3.504 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.441 0.456 2.802 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.419 -0.885 3.972 1.00 0.40 H new ATOM 0 HD21 LEU A 79 6.889 -2.309 2.818 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.380 -3.137 3.274 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.030 -3.315 1.627 1.00 0.30 H new ATOM 1278 N SER A 80 1.720 -2.528 -0.797 1.00 0.36 N ATOM 1279 CA SER A 80 0.364 -2.772 -1.259 1.00 0.47 C ATOM 1280 C SER A 80 0.296 -4.048 -2.076 1.00 0.37 C ATOM 1281 O SER A 80 -0.617 -4.852 -1.896 1.00 0.38 O ATOM 1282 CB SER A 80 -0.140 -1.605 -2.088 1.00 0.66 C ATOM 1283 OG SER A 80 0.814 -1.222 -3.060 1.00 0.84 O ATOM 0 H SER A 80 2.177 -1.725 -1.229 1.00 0.36 H new ATOM 0 HA SER A 80 -0.273 -2.881 -0.381 1.00 0.47 H new ATOM 0 HB2 SER A 80 -1.074 -1.880 -2.579 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.359 -0.759 -1.436 1.00 0.66 H new ATOM 0 HG SER A 80 1.495 -0.653 -2.644 1.00 0.84 H new ATOM 1289 N SER A 81 1.263 -4.228 -2.974 1.00 0.33 N ATOM 1290 CA SER A 81 1.335 -5.438 -3.768 1.00 0.30 C ATOM 1291 C SER A 81 1.381 -6.650 -2.860 1.00 0.24 C ATOM 1292 O SER A 81 0.773 -7.658 -3.160 1.00 0.26 O ATOM 1293 CB SER A 81 2.546 -5.429 -4.703 1.00 0.37 C ATOM 1294 OG SER A 81 2.412 -4.426 -5.698 1.00 1.22 O ATOM 0 H SER A 81 2.001 -3.550 -3.164 1.00 0.33 H new ATOM 0 HA SER A 81 0.440 -5.485 -4.389 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.454 -5.255 -4.126 1.00 0.37 H new ATOM 0 HB3 SER A 81 2.651 -6.405 -5.177 1.00 0.37 H new ATOM 0 HG SER A 81 2.877 -3.614 -5.408 1.00 1.22 H new ATOM 1300 N ILE A 82 2.083 -6.533 -1.740 1.00 0.23 N ATOM 1301 CA ILE A 82 2.101 -7.595 -0.747 1.00 0.23 C ATOM 1302 C ILE A 82 0.700 -7.882 -0.246 1.00 0.27 C ATOM 1303 O ILE A 82 0.186 -8.989 -0.378 1.00 0.30 O ATOM 1304 CB ILE A 82 2.917 -7.234 0.493 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.343 -6.836 0.137 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.898 -8.413 1.451 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.119 -6.329 1.329 1.00 0.23 C ATOM 0 H ILE A 82 2.645 -5.716 -1.499 1.00 0.23 H new ATOM 0 HA ILE A 82 2.545 -8.452 -1.253 1.00 0.23 H new ATOM 0 HB ILE A 82 2.466 -6.365 0.973 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.860 -7.695 -0.290 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.320 -6.064 -0.632 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.477 -8.168 2.341 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.869 -8.633 1.737 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.333 -9.285 0.963 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.128 -6.060 1.018 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.620 -5.452 1.742 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.169 -7.109 2.089 1.00 0.23 H new ATOM 1319 N ALA A 83 0.106 -6.864 0.355 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.184 -6.993 0.999 1.00 0.36 C ATOM 1321 C ALA A 83 -2.225 -7.544 0.032 1.00 0.37 C ATOM 1322 O ALA A 83 -2.951 -8.486 0.358 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.606 -5.644 1.569 1.00 0.40 C ATOM 0 H ALA A 83 0.507 -5.927 0.408 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.104 -7.706 1.820 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.577 -5.742 2.054 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -0.868 -5.310 2.299 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.675 -4.914 0.763 1.00 0.40 H new ATOM 1329 N MET A 84 -2.267 -6.995 -1.173 1.00 0.37 N ATOM 1330 CA MET A 84 -3.262 -7.414 -2.144 1.00 0.43 C ATOM 1331 C MET A 84 -2.899 -8.747 -2.789 1.00 0.34 C ATOM 1332 O MET A 84 -3.790 -9.536 -3.077 1.00 0.37 O ATOM 1333 CB MET A 84 -3.530 -6.317 -3.182 1.00 0.64 C ATOM 1334 CG MET A 84 -2.368 -5.957 -4.093 1.00 0.44 C ATOM 1335 SD MET A 84 -2.283 -7.023 -5.549 1.00 1.00 S ATOM 1336 CE MET A 84 -0.864 -6.347 -6.407 1.00 1.26 C ATOM 0 H MET A 84 -1.631 -6.267 -1.498 1.00 0.37 H new ATOM 0 HA MET A 84 -4.196 -7.576 -1.606 1.00 0.43 H new ATOM 0 HB2 MET A 84 -4.368 -6.631 -3.804 1.00 0.64 H new ATOM 0 HB3 MET A 84 -3.844 -5.416 -2.655 1.00 0.64 H new ATOM 0 HG2 MET A 84 -2.466 -4.919 -4.411 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.435 -6.033 -3.535 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.960 -6.538 -7.476 1.00 1.26 H new ATOM 0 HE2 MET A 84 -0.812 -5.272 -6.234 1.00 1.26 H new ATOM 0 HE3 MET A 84 0.045 -6.819 -6.034 1.00 1.26 H new ATOM 1346 N MET A 85 -1.608 -9.030 -2.970 1.00 0.34 N ATOM 1347 CA MET A 85 -1.199 -10.334 -3.497 1.00 0.35 C ATOM 1348 C MET A 85 -1.559 -11.419 -2.488 1.00 0.35 C ATOM 1349 O MET A 85 -1.944 -12.531 -2.855 1.00 0.42 O ATOM 1350 CB MET A 85 0.307 -10.383 -3.821 1.00 0.39 C ATOM 1351 CG MET A 85 1.182 -10.638 -2.614 1.00 1.36 C ATOM 1352 SD MET A 85 2.895 -11.025 -3.036 1.00 2.66 S ATOM 1353 CE MET A 85 2.697 -12.601 -3.866 1.00 3.35 C ATOM 0 H MET A 85 -0.841 -8.389 -2.765 1.00 0.34 H new ATOM 0 HA MET A 85 -1.732 -10.503 -4.433 1.00 0.35 H new ATOM 0 HB2 MET A 85 0.485 -11.165 -4.559 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.602 -9.439 -4.279 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.164 -9.759 -1.970 1.00 1.36 H new ATOM 0 HG3 MET A 85 0.762 -11.463 -2.039 1.00 1.36 H new ATOM 0 HE1 MET A 85 3.644 -13.140 -3.854 1.00 3.35 H new ATOM 0 HE2 MET A 85 1.938 -13.190 -3.352 1.00 3.35 H new ATOM 0 HE3 MET A 85 2.388 -12.433 -4.898 1.00 3.35 H new ATOM 1363 N SER A 86 -1.454 -11.071 -1.209 1.00 0.33 N ATOM 1364 CA SER A 86 -1.815 -11.974 -0.135 1.00 0.39 C ATOM 1365 C SER A 86 -3.327 -12.176 -0.095 1.00 0.43 C ATOM 1366 O SER A 86 -3.812 -13.235 0.298 1.00 0.57 O ATOM 1367 CB SER A 86 -1.308 -11.422 1.199 1.00 0.43 C ATOM 1368 OG SER A 86 0.096 -11.217 1.159 1.00 1.24 O ATOM 0 H SER A 86 -1.118 -10.160 -0.895 1.00 0.33 H new ATOM 0 HA SER A 86 -1.348 -12.943 -0.313 1.00 0.39 H new ATOM 0 HB2 SER A 86 -1.811 -10.481 1.423 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.556 -12.116 2.002 1.00 0.43 H new ATOM 0 HG SER A 86 0.298 -10.451 0.582 1.00 1.24 H new ATOM 1374 N ASN A 87 -4.072 -11.165 -0.526 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.525 -11.240 -0.513 1.00 0.51 C ATOM 1376 C ASN A 87 -6.050 -11.979 -1.737 1.00 0.44 C ATOM 1377 O ASN A 87 -7.010 -12.738 -1.644 1.00 0.53 O ATOM 1378 CB ASN A 87 -6.147 -9.857 -0.482 1.00 0.69 C ATOM 1379 CG ASN A 87 -7.594 -9.898 -0.024 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -7.902 -9.573 1.117 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -8.483 -10.356 -0.889 1.00 1.49 N ATOM 0 H ASN A 87 -3.695 -10.289 -0.887 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.803 -11.785 0.389 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.573 -9.215 0.186 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -6.093 -9.412 -1.476 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -9.461 -10.448 -0.615 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -8.191 -10.617 -1.831 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.444 -11.732 -2.890 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.815 -12.447 -4.107 1.00 0.43 C ATOM 1390 C GLU A 88 -5.546 -13.935 -3.926 1.00 0.52 C ATOM 1391 O GLU A 88 -6.183 -14.783 -4.543 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.041 -11.918 -5.314 1.00 0.48 C ATOM 1393 CG GLU A 88 -5.164 -10.420 -5.520 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.469 -9.966 -6.786 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -3.243 -10.158 -6.901 1.00 1.73 O ATOM 1396 OE2 GLU A 88 -5.154 -9.435 -7.684 1.00 1.49 O ATOM 0 H GLU A 88 -4.698 -11.047 -3.010 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.877 -12.287 -4.292 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.988 -12.173 -5.197 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.394 -12.428 -6.210 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -6.218 -10.145 -5.566 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.735 -9.899 -4.664 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.589 -14.238 -3.065 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.302 -15.610 -2.694 1.00 0.63 C ATOM 1405 C PHE A 89 -5.172 -16.034 -1.515 1.00 0.66 C ATOM 1406 O PHE A 89 -5.364 -17.224 -1.266 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.814 -15.745 -2.359 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.365 -17.147 -2.069 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.266 -18.082 -3.086 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -2.037 -17.529 -0.779 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -1.849 -19.371 -2.822 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.619 -18.816 -0.509 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.525 -19.739 -1.531 1.00 2.70 C ATOM 0 H PHE A 89 -3.995 -13.546 -2.608 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.533 -16.269 -3.530 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.230 -15.355 -3.193 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.591 -15.120 -1.494 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.518 -17.799 -4.097 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -2.109 -16.811 0.025 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -1.776 -20.091 -3.624 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -1.366 -19.101 0.501 1.00 2.80 H new ATOM 0 HZ PHE A 89 -1.199 -20.747 -1.321 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.720 -15.055 -0.806 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.627 -15.329 0.297 1.00 0.68 C ATOM 1425 C PHE A 90 -7.955 -15.830 -0.254 1.00 0.68 C ATOM 1426 O PHE A 90 -8.640 -16.634 0.374 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.829 -14.066 1.143 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.707 -14.257 2.348 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -7.206 -14.839 3.501 1.00 1.53 C ATOM 1430 CD2 PHE A 90 -9.030 -13.847 2.327 1.00 1.46 C ATOM 1431 CE1 PHE A 90 -8.012 -15.008 4.613 1.00 1.64 C ATOM 1432 CE2 PHE A 90 -9.839 -14.014 3.434 1.00 1.59 C ATOM 1433 CZ PHE A 90 -9.328 -14.595 4.578 1.00 1.21 C ATOM 0 H PHE A 90 -5.551 -14.064 -0.977 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.198 -16.099 0.938 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.855 -13.705 1.473 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.261 -13.288 0.514 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -6.177 -15.164 3.532 1.00 1.53 H new ATOM 0 HD2 PHE A 90 -9.434 -13.392 1.435 1.00 1.46 H new ATOM 0 HE1 PHE A 90 -7.612 -15.463 5.507 1.00 1.64 H new ATOM 0 HE2 PHE A 90 -10.869 -13.691 3.405 1.00 1.59 H new ATOM 0 HZ PHE A 90 -9.958 -14.726 5.445 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.304 -15.356 -1.446 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.511 -15.807 -2.114 1.00 0.72 C ATOM 1445 C GLU A 91 -9.238 -17.074 -2.922 1.00 0.77 C ATOM 1446 O GLU A 91 -10.155 -17.826 -3.251 1.00 0.96 O ATOM 1447 CB GLU A 91 -10.076 -14.706 -3.011 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.155 -14.360 -4.153 1.00 0.92 C ATOM 1449 CD GLU A 91 -9.549 -13.104 -4.900 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.673 -13.050 -5.444 1.00 2.25 O ATOM 1451 OE2 GLU A 91 -8.722 -12.171 -4.965 1.00 2.23 O ATOM 0 H GLU A 91 -7.767 -14.661 -1.965 1.00 0.61 H new ATOM 0 HA GLU A 91 -10.255 -16.041 -1.353 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -11.039 -15.025 -3.410 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.259 -13.813 -2.413 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -8.143 -14.239 -3.767 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -9.131 -15.195 -4.853 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.969 -17.300 -3.236 1.00 0.71 N ATOM 1459 CA GLY A 92 -7.573 -18.489 -3.971 1.00 0.82 C ATOM 1460 C GLY A 92 -7.183 -18.164 -5.395 1.00 0.81 C ATOM 1461 O GLY A 92 -6.297 -18.795 -5.971 1.00 0.92 O ATOM 0 H GLY A 92 -7.200 -16.676 -2.993 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -6.735 -18.967 -3.464 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -8.395 -19.205 -3.973 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.858 -17.177 -5.951 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.587 -16.687 -7.292 1.00 0.78 C ATOM 1467 C PHE A 93 -8.299 -15.358 -7.450 1.00 0.69 C ATOM 1468 O PHE A 93 -9.476 -15.260 -7.118 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.078 -17.684 -8.352 1.00 1.00 C ATOM 1470 CG PHE A 93 -7.742 -17.280 -9.762 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -6.527 -17.634 -10.325 1.00 2.41 C ATOM 1472 CD2 PHE A 93 -8.638 -16.542 -10.521 1.00 2.59 C ATOM 1473 CE1 PHE A 93 -6.210 -17.261 -11.617 1.00 3.46 C ATOM 1474 CE2 PHE A 93 -8.327 -16.165 -11.813 1.00 3.60 C ATOM 1475 CZ PHE A 93 -7.112 -16.526 -12.362 1.00 3.91 C ATOM 0 H PHE A 93 -8.619 -16.686 -5.481 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.513 -16.566 -7.433 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -7.641 -18.662 -8.149 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -9.159 -17.794 -8.262 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -5.819 -18.209 -9.747 1.00 2.41 H new ATOM 0 HD2 PHE A 93 -9.590 -16.259 -10.097 1.00 2.59 H new ATOM 0 HE1 PHE A 93 -5.259 -17.543 -12.044 1.00 3.46 H new ATOM 0 HE2 PHE A 93 -9.033 -15.589 -12.393 1.00 3.60 H new ATOM 0 HZ PHE A 93 -6.867 -16.234 -13.373 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.597 -14.315 -7.918 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.164 -12.968 -8.029 1.00 0.61 C ATOM 1487 C PRO A 94 -9.379 -12.910 -8.948 1.00 0.71 C ATOM 1488 O PRO A 94 -9.258 -12.661 -10.149 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.019 -12.132 -8.601 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.074 -13.113 -9.201 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.199 -14.363 -8.378 1.00 0.83 C ATOM 0 HA PRO A 94 -8.526 -12.611 -7.065 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.383 -11.428 -9.350 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.533 -11.545 -7.821 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -6.322 -13.306 -10.245 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.052 -12.733 -9.181 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -5.998 -15.257 -8.968 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.499 -14.369 -7.543 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.549 -13.119 -8.367 1.00 0.71 N ATOM 1500 CA ASP A 95 -11.792 -13.140 -9.125 1.00 0.88 C ATOM 1501 C ASP A 95 -12.584 -11.869 -8.897 1.00 0.84 C ATOM 1502 O ASP A 95 -13.644 -11.665 -9.487 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.639 -14.356 -8.754 1.00 1.12 C ATOM 1504 CG ASP A 95 -12.153 -15.632 -9.411 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -12.096 -15.678 -10.657 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -11.863 -16.608 -8.686 1.00 2.40 O ATOM 0 H ASP A 95 -10.665 -13.278 -7.366 1.00 0.71 H new ATOM 0 HA ASP A 95 -11.533 -13.206 -10.182 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.629 -14.483 -7.672 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -13.674 -14.175 -9.044 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.054 -11.011 -8.046 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.664 -9.720 -7.784 1.00 0.86 C ATOM 1513 C LYS A 96 -12.073 -8.691 -8.731 1.00 0.84 C ATOM 1514 O LYS A 96 -12.468 -7.525 -8.749 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.442 -9.312 -6.328 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.089 -9.733 -5.783 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.851 -9.181 -4.388 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.585 -9.745 -3.782 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.406 -9.434 -4.627 1.00 1.86 N ATOM 0 H LYS A 96 -11.197 -11.186 -7.521 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.739 -9.782 -7.951 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.539 -8.230 -6.243 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.226 -9.751 -5.712 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -11.028 -10.821 -5.759 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.302 -9.384 -6.452 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.783 -8.094 -4.432 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.701 -9.422 -3.749 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -9.440 -9.332 -2.784 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.681 -10.825 -3.669 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.553 -9.401 -4.034 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.295 -10.171 -5.353 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -8.543 -8.512 -5.088 1.00 1.86 H new ATOM 1663 N SER B 3 8.678 -2.796 13.233 1.00 0.80 N ATOM 1664 CA SER B 3 8.207 -4.040 13.870 1.00 0.78 C ATOM 1665 C SER B 3 6.701 -4.344 13.542 1.00 0.65 C ATOM 1666 O SER B 3 6.267 -4.060 12.442 1.00 0.83 O ATOM 1667 CB SER B 3 8.496 -3.875 15.364 1.00 0.97 C ATOM 1668 OG SER B 3 9.777 -3.301 15.563 1.00 1.18 O ATOM 0 HA SER B 3 8.728 -4.916 13.482 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.734 -3.244 15.820 1.00 0.97 H new ATOM 0 HB3 SER B 3 8.445 -4.845 15.859 1.00 0.97 H new ATOM 0 HG SER B 3 10.031 -2.785 14.770 1.00 1.18 H new ATOM 1674 N PRO B 4 5.916 -5.095 14.378 1.00 0.67 N ATOM 1675 CA PRO B 4 4.475 -5.338 14.137 1.00 0.62 C ATOM 1676 C PRO B 4 3.677 -4.242 13.383 1.00 0.47 C ATOM 1677 O PRO B 4 2.561 -4.512 12.965 1.00 0.50 O ATOM 1678 CB PRO B 4 3.950 -5.499 15.552 1.00 0.79 C ATOM 1679 CG PRO B 4 5.023 -6.270 16.232 1.00 0.97 C ATOM 1680 CD PRO B 4 6.324 -5.803 15.621 1.00 0.88 C ATOM 0 HA PRO B 4 4.350 -6.185 13.462 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.783 -4.534 16.031 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.999 -6.032 15.570 1.00 0.79 H new ATOM 0 HG2 PRO B 4 5.011 -6.091 17.307 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.886 -7.341 16.086 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.865 -5.140 16.296 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.984 -6.642 15.402 1.00 0.88 H new ATOM 1688 N LEU B 5 4.203 -3.019 13.233 1.00 0.36 N ATOM 1689 CA LEU B 5 3.548 -1.996 12.406 1.00 0.32 C ATOM 1690 C LEU B 5 3.419 -2.437 10.955 1.00 0.30 C ATOM 1691 O LEU B 5 2.346 -2.331 10.374 1.00 0.32 O ATOM 1692 CB LEU B 5 4.299 -0.670 12.438 1.00 0.32 C ATOM 1693 CG LEU B 5 3.841 0.362 11.395 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.568 1.691 12.068 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.883 0.546 10.303 1.00 0.27 C ATOM 0 H LEU B 5 5.073 -2.715 13.670 1.00 0.36 H new ATOM 0 HA LEU B 5 2.555 -1.861 12.836 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.192 -0.233 13.431 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.361 -0.867 12.290 1.00 0.32 H new ATOM 0 HG LEU B 5 2.926 -0.011 10.934 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.244 2.417 11.322 1.00 0.41 H new ATOM 0 HD12 LEU B 5 2.786 1.566 12.816 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.478 2.048 12.550 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.528 1.282 9.582 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.817 0.893 10.746 1.00 0.27 H new ATOM 0 HD23 LEU B 5 5.052 -0.405 9.798 1.00 0.27 H new ATOM 1707 N GLU B 6 4.504 -2.906 10.352 1.00 0.35 N ATOM 1708 CA GLU B 6 4.422 -3.355 8.974 1.00 0.42 C ATOM 1709 C GLU B 6 3.512 -4.581 8.897 1.00 0.34 C ATOM 1710 O GLU B 6 2.688 -4.743 7.984 1.00 0.32 O ATOM 1711 CB GLU B 6 5.791 -3.673 8.396 1.00 0.62 C ATOM 1712 CG GLU B 6 6.659 -2.448 8.144 1.00 1.80 C ATOM 1713 CD GLU B 6 6.072 -1.497 7.119 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.283 -0.615 7.512 1.00 3.61 O ATOM 1715 OE2 GLU B 6 6.400 -1.627 5.919 1.00 3.32 O ATOM 0 H GLU B 6 5.425 -2.983 10.783 1.00 0.35 H new ATOM 0 HA GLU B 6 4.004 -2.545 8.376 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.315 -4.342 9.078 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.661 -4.212 7.458 1.00 0.62 H new ATOM 0 HG2 GLU B 6 6.804 -1.914 9.083 1.00 1.80 H new ATOM 0 HG3 GLU B 6 7.644 -2.772 7.807 1.00 1.80 H new ATOM 1722 N LYS B 7 3.636 -5.424 9.912 1.00 0.35 N ATOM 1723 CA LYS B 7 2.758 -6.572 10.066 1.00 0.36 C ATOM 1724 C LYS B 7 1.322 -6.074 10.293 1.00 0.32 C ATOM 1725 O LYS B 7 0.355 -6.807 10.116 1.00 0.35 O ATOM 1726 CB LYS B 7 3.191 -7.454 11.249 1.00 0.44 C ATOM 1727 CG LYS B 7 4.698 -7.535 11.492 1.00 0.64 C ATOM 1728 CD LYS B 7 5.431 -8.498 10.562 1.00 0.80 C ATOM 1729 CE LYS B 7 6.806 -8.812 11.124 1.00 1.78 C ATOM 1730 NZ LYS B 7 6.721 -9.619 12.374 1.00 2.82 N ATOM 0 H LYS B 7 4.340 -5.332 10.644 1.00 0.35 H new ATOM 0 HA LYS B 7 2.812 -7.176 9.160 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.714 -7.077 12.154 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.812 -8.463 11.085 1.00 0.44 H new ATOM 0 HG2 LYS B 7 5.127 -6.540 11.377 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.872 -7.840 12.524 1.00 0.64 H new ATOM 0 HD2 LYS B 7 4.856 -9.417 10.449 1.00 0.80 H new ATOM 0 HD3 LYS B 7 5.526 -8.058 9.569 1.00 0.80 H new ATOM 0 HE2 LYS B 7 7.388 -9.355 10.379 1.00 1.78 H new ATOM 0 HE3 LYS B 7 7.337 -7.882 11.327 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 7.600 -10.161 12.498 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 6.587 -8.985 13.188 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 5.916 -10.275 12.310 1.00 2.82 H new ATOM 1744 N ALA B 8 1.207 -4.820 10.723 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.081 -4.188 10.971 1.00 0.29 C ATOM 1746 C ALA B 8 -0.688 -3.659 9.683 1.00 0.27 C ATOM 1747 O ALA B 8 -1.901 -3.505 9.597 1.00 0.28 O ATOM 1748 CB ALA B 8 0.040 -3.077 11.999 1.00 0.32 C ATOM 0 H ALA B 8 2.007 -4.215 10.909 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.748 -4.950 11.374 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.938 -2.625 12.163 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.411 -3.489 12.938 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.734 -2.319 11.636 1.00 0.32 H new ATOM 1754 N LEU B 9 0.139 -3.362 8.681 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.411 -3.101 7.349 1.00 0.25 C ATOM 1756 C LEU B 9 -1.101 -4.376 6.883 1.00 0.25 C ATOM 1757 O LEU B 9 -2.102 -4.354 6.170 1.00 0.26 O ATOM 1758 CB LEU B 9 0.653 -2.699 6.319 1.00 0.26 C ATOM 1759 CG LEU B 9 1.924 -2.067 6.873 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.881 -1.747 5.743 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.633 -0.817 7.686 1.00 0.27 C ATOM 0 H LEU B 9 1.154 -3.297 8.757 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.099 -2.259 7.425 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.932 -3.586 5.751 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.201 -1.999 5.616 1.00 0.26 H new ATOM 0 HG LEU B 9 2.385 -2.791 7.545 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.786 -1.296 6.150 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.139 -2.664 5.214 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.407 -1.050 5.051 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.568 -0.401 8.061 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.135 -0.081 7.055 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.987 -1.072 8.526 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.551 -5.500 7.312 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.215 -6.794 7.102 1.00 0.28 C ATOM 1775 C ASP B 10 -2.528 -6.852 7.894 1.00 0.27 C ATOM 1776 O ASP B 10 -3.538 -7.404 7.438 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.307 -7.955 7.503 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.028 -9.289 7.484 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.149 -9.892 6.396 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -1.472 -9.747 8.558 1.00 1.15 O ATOM 0 H ASP B 10 0.342 -5.553 7.803 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.435 -6.889 6.039 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.545 -7.997 6.825 1.00 0.33 H new ATOM 0 HB3 ASP B 10 0.089 -7.774 8.502 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.518 -6.263 9.081 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.729 -6.136 9.874 1.00 0.27 C ATOM 1787 C VAL B 11 -4.742 -5.251 9.141 1.00 0.27 C ATOM 1788 O VAL B 11 -5.949 -5.413 9.304 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.417 -5.568 11.276 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.688 -5.327 12.068 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.499 -6.515 12.035 1.00 0.31 C ATOM 0 H VAL B 11 -1.685 -5.866 9.515 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.161 -7.128 10.009 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.914 -4.610 11.146 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.435 -4.927 13.050 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.318 -4.613 11.537 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.226 -6.267 12.187 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.287 -6.103 13.022 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -2.986 -7.484 12.143 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.566 -6.637 11.484 1.00 0.31 H new ATOM 1801 N MET B 12 -4.238 -4.338 8.312 1.00 0.26 N ATOM 1802 CA MET B 12 -5.089 -3.538 7.433 1.00 0.29 C ATOM 1803 C MET B 12 -5.804 -4.438 6.423 1.00 0.29 C ATOM 1804 O MET B 12 -6.953 -4.180 6.059 1.00 0.33 O ATOM 1805 CB MET B 12 -4.271 -2.442 6.724 1.00 0.32 C ATOM 1806 CG MET B 12 -4.975 -1.809 5.536 1.00 0.98 C ATOM 1807 SD MET B 12 -4.802 -2.766 4.011 1.00 2.23 S ATOM 1808 CE MET B 12 -3.035 -2.671 3.738 1.00 2.75 C ATOM 0 H MET B 12 -3.242 -4.134 8.231 1.00 0.26 H new ATOM 0 HA MET B 12 -5.845 -3.041 8.041 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.028 -1.662 7.446 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.327 -2.870 6.387 1.00 0.32 H new ATOM 0 HG2 MET B 12 -6.034 -1.696 5.768 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.575 -0.808 5.376 1.00 0.98 H new ATOM 0 HE1 MET B 12 -2.841 -2.241 2.755 1.00 2.75 H new ATOM 0 HE2 MET B 12 -2.582 -2.043 4.505 1.00 2.75 H new ATOM 0 HE3 MET B 12 -2.605 -3.671 3.788 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.130 -5.499 5.977 1.00 0.29 N ATOM 1819 CA VAL B 13 -5.786 -6.514 5.147 1.00 0.31 C ATOM 1820 C VAL B 13 -7.038 -7.011 5.862 1.00 0.27 C ATOM 1821 O VAL B 13 -8.114 -7.153 5.266 1.00 0.27 O ATOM 1822 CB VAL B 13 -4.871 -7.727 4.846 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.575 -8.714 3.924 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.550 -7.288 4.233 1.00 0.42 C ATOM 0 H VAL B 13 -4.145 -5.678 6.172 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.032 -6.042 4.196 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.656 -8.220 5.794 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -4.916 -9.559 3.724 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.488 -9.070 4.401 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -5.826 -8.220 2.985 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -2.932 -8.164 4.034 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -3.740 -6.759 3.299 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.030 -6.626 4.925 1.00 0.42 H new ATOM 1834 N SER B 14 -6.892 -7.251 7.157 1.00 0.26 N ATOM 1835 CA SER B 14 -8.015 -7.675 7.985 1.00 0.26 C ATOM 1836 C SER B 14 -9.013 -6.535 8.216 1.00 0.25 C ATOM 1837 O SER B 14 -10.211 -6.783 8.390 1.00 0.25 O ATOM 1838 CB SER B 14 -7.502 -8.223 9.316 1.00 0.31 C ATOM 1839 OG SER B 14 -6.550 -9.256 9.103 1.00 1.18 O ATOM 0 H SER B 14 -6.008 -7.160 7.658 1.00 0.26 H new ATOM 0 HA SER B 14 -8.546 -8.465 7.454 1.00 0.26 H new ATOM 0 HB2 SER B 14 -7.049 -7.418 9.895 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.337 -8.607 9.902 1.00 0.31 H new ATOM 0 HG SER B 14 -6.233 -9.592 9.967 1.00 1.18 H new ATOM 1845 N THR B 15 -8.523 -5.298 8.219 1.00 0.28 N ATOM 1846 CA THR B 15 -9.387 -4.121 8.275 1.00 0.32 C ATOM 1847 C THR B 15 -10.435 -4.197 7.167 1.00 0.28 C ATOM 1848 O THR B 15 -11.641 -4.026 7.394 1.00 0.29 O ATOM 1849 CB THR B 15 -8.563 -2.828 8.099 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.623 -2.694 9.173 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.461 -1.603 8.044 1.00 0.93 C ATOM 0 H THR B 15 -7.526 -5.084 8.183 1.00 0.28 H new ATOM 0 HA THR B 15 -9.874 -4.102 9.250 1.00 0.32 H new ATOM 0 HB THR B 15 -8.026 -2.899 7.153 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.217 -1.803 9.143 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.850 -0.709 7.920 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.148 -1.693 7.202 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.030 -1.527 8.970 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.951 -4.486 5.970 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.793 -4.582 4.794 1.00 0.27 C ATOM 1861 C PHE B 16 -11.846 -5.671 4.924 1.00 0.29 C ATOM 1862 O PHE B 16 -13.029 -5.407 4.738 1.00 0.37 O ATOM 1863 CB PHE B 16 -9.924 -4.817 3.567 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.688 -5.034 2.292 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.029 -3.964 1.484 1.00 1.65 C ATOM 1866 CD2 PHE B 16 -11.049 -6.312 1.894 1.00 1.73 C ATOM 1867 CE1 PHE B 16 -11.717 -4.162 0.305 1.00 2.27 C ATOM 1868 CE2 PHE B 16 -11.740 -6.517 0.719 1.00 2.34 C ATOM 1869 CZ PHE B 16 -12.074 -5.439 -0.077 1.00 2.36 C ATOM 0 H PHE B 16 -8.962 -4.660 5.789 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.331 -3.640 4.688 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.262 -3.961 3.437 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.290 -5.685 3.748 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -10.753 -2.962 1.780 1.00 1.65 H new ATOM 0 HD2 PHE B 16 -10.786 -7.157 2.512 1.00 1.73 H new ATOM 0 HE1 PHE B 16 -11.976 -3.319 -0.318 1.00 2.27 H new ATOM 0 HE2 PHE B 16 -12.019 -7.517 0.422 1.00 2.34 H new ATOM 0 HZ PHE B 16 -12.615 -5.595 -0.999 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.417 -6.884 5.252 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.338 -8.022 5.361 1.00 0.40 C ATOM 1881 C HIS B 17 -13.471 -7.710 6.319 1.00 0.36 C ATOM 1882 O HIS B 17 -14.593 -8.195 6.158 1.00 0.42 O ATOM 1883 CB HIS B 17 -11.608 -9.264 5.860 1.00 0.59 C ATOM 1884 CG HIS B 17 -10.482 -9.717 4.988 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -9.353 -10.329 5.483 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -10.313 -9.651 3.648 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -8.542 -10.619 4.488 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -9.099 -10.218 3.361 1.00 2.20 N ATOM 0 H HIS B 17 -10.442 -7.110 5.448 1.00 0.31 H new ATOM 0 HA HIS B 17 -12.742 -8.209 4.366 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -11.219 -9.064 6.858 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -12.327 -10.078 5.955 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -11.007 -9.229 2.936 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -7.581 -11.104 4.579 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -8.693 -10.314 2.430 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.166 -6.893 7.310 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.135 -6.500 8.307 1.00 0.39 C ATOM 1899 C LYS B 18 -15.253 -5.692 7.672 1.00 0.37 C ATOM 1900 O LYS B 18 -16.430 -6.017 7.818 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.447 -5.674 9.387 1.00 0.43 C ATOM 1902 CG LYS B 18 -14.408 -5.031 10.374 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.665 -4.257 11.443 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.749 -3.212 10.833 1.00 0.79 C ATOM 1905 NZ LYS B 18 -12.079 -2.395 11.868 1.00 1.28 N ATOM 0 H LYS B 18 -12.240 -6.486 7.443 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.566 -7.396 8.753 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.754 -6.313 9.933 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.853 -4.893 8.911 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -15.085 -4.362 9.842 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -15.022 -5.801 10.841 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -14.381 -3.773 12.108 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -13.079 -4.945 12.052 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.997 -3.704 10.216 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -13.326 -2.562 10.175 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -11.911 -1.437 11.499 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -12.684 -2.340 12.712 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -11.170 -2.833 12.121 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.873 -4.651 6.947 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.847 -3.741 6.377 1.00 0.29 C ATOM 1921 C TYR B 19 -16.488 -4.284 5.116 1.00 0.33 C ATOM 1922 O TYR B 19 -17.663 -4.056 4.904 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.228 -2.375 6.128 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.280 -1.503 7.352 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -16.471 -0.911 7.738 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -14.159 -1.297 8.138 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -16.545 -0.133 8.871 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -14.226 -0.525 9.278 1.00 1.26 C ATOM 1929 CZ TYR B 19 -15.421 0.056 9.639 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.498 0.812 10.782 1.00 0.79 O ATOM 0 H TYR B 19 -13.901 -4.418 6.742 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.646 -3.634 7.111 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.191 -2.498 5.814 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -15.753 -1.883 5.309 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -17.357 -1.062 7.140 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -13.219 -1.747 7.854 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -17.480 0.326 9.155 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -13.345 -0.377 9.885 1.00 1.26 H new ATOM 0 HH TYR B 19 -14.617 0.847 11.211 1.00 0.79 H new ATOM 1940 N SER B 20 -15.734 -5.004 4.297 1.00 0.29 N ATOM 1941 CA SER B 20 -16.282 -5.580 3.075 1.00 0.32 C ATOM 1942 C SER B 20 -17.194 -6.751 3.393 1.00 0.40 C ATOM 1943 O SER B 20 -18.059 -7.117 2.603 1.00 0.60 O ATOM 1944 CB SER B 20 -15.155 -6.052 2.168 1.00 0.35 C ATOM 1945 OG SER B 20 -14.247 -5.004 1.924 1.00 0.86 O ATOM 0 H SER B 20 -14.746 -5.203 4.454 1.00 0.29 H new ATOM 0 HA SER B 20 -16.861 -4.809 2.568 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.635 -6.891 2.630 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.566 -6.412 1.225 1.00 0.35 H new ATOM 0 HG SER B 20 -13.408 -5.372 1.576 1.00 0.86 H new ATOM 1951 N GLY B 21 -16.996 -7.338 4.561 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.791 -8.478 4.949 1.00 0.43 C ATOM 1953 C GLY B 21 -19.104 -8.081 5.575 1.00 0.41 C ATOM 1954 O GLY B 21 -19.693 -8.849 6.334 1.00 0.46 O ATOM 0 H GLY B 21 -16.299 -7.045 5.246 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -17.983 -9.098 4.073 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.226 -9.088 5.654 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.565 -6.881 5.264 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.835 -6.405 5.788 1.00 0.46 C ATOM 1960 C LYS B 22 -21.915 -6.501 4.721 1.00 0.52 C ATOM 1961 O LYS B 22 -22.953 -7.135 4.914 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.726 -4.961 6.261 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.588 -4.697 7.229 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.611 -3.268 7.773 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.621 -2.206 6.671 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.975 -1.981 6.092 1.00 1.08 N ATOM 0 H LYS B 22 -19.082 -6.221 4.654 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.101 -7.035 6.637 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.602 -4.316 5.391 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.664 -4.677 6.738 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.649 -5.401 8.059 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.637 -4.877 6.727 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.492 -3.139 8.402 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.740 -3.114 8.410 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -19.244 -1.267 7.076 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -18.938 -2.508 5.877 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -21.085 -0.976 5.846 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.087 -2.561 5.236 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.699 -2.248 6.789 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.643 -5.875 3.591 1.00 0.47 N ATOM 1981 CA GLU B 23 -22.594 -5.755 2.503 1.00 0.54 C ATOM 1982 C GLU B 23 -21.913 -6.126 1.188 1.00 0.58 C ATOM 1983 O GLU B 23 -20.690 -6.210 1.121 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.105 -4.309 2.428 1.00 0.67 C ATOM 1985 CG GLU B 23 -23.574 -3.754 3.765 1.00 1.15 C ATOM 1986 CD GLU B 23 -23.979 -2.299 3.703 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -25.028 -1.990 3.099 1.00 2.38 O ATOM 1988 OE2 GLU B 23 -23.260 -1.457 4.282 1.00 1.96 O ATOM 0 H GLU B 23 -20.745 -5.431 3.401 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.434 -6.428 2.678 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -22.310 -3.672 2.039 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.929 -4.261 1.716 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -24.420 -4.344 4.118 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -22.776 -3.870 4.498 1.00 1.15 H new ATOM 1995 N GLY B 24 -22.696 -6.375 0.160 1.00 0.72 N ATOM 1996 CA GLY B 24 -22.137 -6.530 -1.167 1.00 0.85 C ATOM 1997 C GLY B 24 -21.412 -7.848 -1.400 1.00 0.79 C ATOM 1998 O GLY B 24 -22.039 -8.907 -1.482 1.00 0.92 O ATOM 0 H GLY B 24 -23.710 -6.474 0.215 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -22.940 -6.438 -1.898 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -21.442 -5.711 -1.352 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.086 -7.782 -1.496 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.307 -8.887 -2.056 1.00 0.70 C ATOM 2004 C ASP B 25 -18.439 -9.610 -1.018 1.00 0.73 C ATOM 2005 O ASP B 25 -18.007 -10.735 -1.265 1.00 1.34 O ATOM 2006 CB ASP B 25 -18.422 -8.348 -3.183 1.00 0.72 C ATOM 2007 CG ASP B 25 -17.771 -9.439 -4.012 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -18.415 -9.929 -4.967 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -16.613 -9.804 -3.723 1.00 1.64 O ATOM 0 H ASP B 25 -19.530 -6.981 -1.196 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.016 -9.625 -2.431 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -19.023 -7.716 -3.836 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -17.645 -7.715 -2.754 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.175 -8.959 0.124 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.301 -9.496 1.173 1.00 0.56 C ATOM 2016 C LYS B 26 -15.823 -9.347 0.795 1.00 0.49 C ATOM 2017 O LYS B 26 -14.941 -9.366 1.655 1.00 0.55 O ATOM 2018 CB LYS B 26 -17.657 -10.954 1.495 1.00 0.71 C ATOM 2019 CG LYS B 26 -16.639 -11.671 2.354 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.695 -11.214 3.801 1.00 0.70 C ATOM 2021 CE LYS B 26 -15.809 -12.065 4.697 1.00 0.94 C ATOM 2022 NZ LYS B 26 -15.944 -11.687 6.127 1.00 1.56 N ATOM 0 H LYS B 26 -18.564 -8.042 0.345 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.465 -8.910 2.078 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.622 -10.976 2.002 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -17.775 -11.501 0.560 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -16.816 -12.745 2.306 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -15.640 -11.494 1.956 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.383 -10.172 3.865 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.724 -11.261 4.157 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -16.070 -13.116 4.573 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -14.769 -11.956 4.389 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -15.324 -12.290 6.705 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -15.671 -10.691 6.250 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -16.931 -11.815 6.428 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.563 -9.164 -0.487 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.210 -8.970 -0.978 1.00 0.43 C ATOM 2038 C PHE B 27 -14.118 -7.640 -1.709 1.00 0.39 C ATOM 2039 O PHE B 27 -13.137 -7.358 -2.400 1.00 0.40 O ATOM 2040 CB PHE B 27 -13.791 -10.114 -1.906 1.00 0.49 C ATOM 2041 CG PHE B 27 -13.605 -11.433 -1.211 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -14.672 -12.301 -1.042 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -12.360 -11.805 -0.732 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -14.499 -13.515 -0.410 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -12.182 -13.018 -0.098 1.00 1.59 C ATOM 2046 CZ PHE B 27 -13.253 -13.875 0.063 1.00 1.65 C ATOM 0 H PHE B 27 -16.279 -9.146 -1.214 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.530 -8.963 -0.126 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.544 -10.229 -2.685 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -12.859 -9.842 -2.402 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -15.649 -12.024 -1.409 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -11.519 -11.139 -0.856 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -15.338 -14.184 -0.285 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -11.206 -13.297 0.272 1.00 1.59 H new ATOM 0 HZ PHE B 27 -13.116 -14.825 0.558 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.155 -6.832 -1.541 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.223 -5.509 -2.133 1.00 0.36 C ATOM 2058 C LYS B 28 -16.046 -4.592 -1.258 1.00 0.34 C ATOM 2059 O LYS B 28 -17.042 -5.009 -0.673 1.00 0.37 O ATOM 2060 CB LYS B 28 -15.839 -5.531 -3.532 1.00 0.40 C ATOM 2061 CG LYS B 28 -14.934 -6.056 -4.627 1.00 0.49 C ATOM 2062 CD LYS B 28 -15.594 -5.884 -5.981 1.00 0.56 C ATOM 2063 CE LYS B 28 -14.655 -6.234 -7.122 1.00 0.86 C ATOM 2064 NZ LYS B 28 -13.580 -5.218 -7.295 1.00 1.70 N ATOM 0 H LYS B 28 -15.975 -7.079 -0.987 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.199 -5.146 -2.215 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -16.741 -6.142 -3.505 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.147 -4.518 -3.792 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -13.983 -5.524 -4.608 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -14.714 -7.109 -4.453 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -16.481 -6.516 -6.035 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -15.930 -4.853 -6.092 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -14.205 -7.209 -6.934 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -15.225 -6.319 -8.047 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -13.238 -5.238 -8.277 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -13.957 -4.273 -7.079 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -12.793 -5.432 -6.650 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.622 -3.347 -1.196 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.301 -2.328 -0.435 1.00 0.28 C ATOM 2080 C LEU B 29 -17.209 -1.538 -1.340 1.00 0.30 C ATOM 2081 O LEU B 29 -16.749 -0.754 -2.172 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.296 -1.368 0.196 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.345 -1.982 1.207 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.106 -1.124 1.333 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.029 -2.115 2.553 1.00 0.25 C ATOM 0 H LEU B 29 -14.787 -3.014 -1.679 1.00 0.31 H new ATOM 0 HA LEU B 29 -16.878 -2.818 0.349 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -14.707 -0.913 -0.600 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -15.847 -0.564 0.684 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.055 -2.975 0.864 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.427 -1.570 2.060 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.609 -1.058 0.365 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.388 -0.125 1.665 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.337 -2.557 3.271 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.336 -1.130 2.904 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -15.906 -2.754 2.454 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.489 -1.738 -1.176 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.467 -0.923 -1.859 1.00 0.35 C ATOM 2099 C ASN B 30 -19.481 0.439 -1.189 1.00 0.32 C ATOM 2100 O ASN B 30 -18.900 0.587 -0.116 1.00 0.30 O ATOM 2101 CB ASN B 30 -20.835 -1.606 -1.825 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.171 -2.160 -0.457 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -21.906 -1.544 0.315 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -20.597 -3.312 -0.131 1.00 0.42 N ATOM 0 H ASN B 30 -18.884 -2.460 -0.574 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.212 -0.796 -2.911 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.602 -0.891 -2.123 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -20.852 -2.415 -2.556 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -20.758 -3.720 0.790 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -19.995 -3.789 -0.802 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.099 1.435 -1.808 1.00 0.35 N ATOM 2112 CA LYS B 31 -19.976 2.809 -1.322 1.00 0.34 C ATOM 2113 C LYS B 31 -20.346 2.920 0.155 1.00 0.31 C ATOM 2114 O LYS B 31 -19.734 3.688 0.898 1.00 0.30 O ATOM 2115 CB LYS B 31 -20.829 3.773 -2.144 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.014 4.684 -3.053 1.00 0.68 C ATOM 2117 CD LYS B 31 -20.896 5.657 -3.820 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.805 4.932 -4.797 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.682 5.869 -5.546 1.00 1.99 N ATOM 0 H LYS B 31 -20.684 1.324 -2.636 1.00 0.35 H new ATOM 0 HA LYS B 31 -18.929 3.088 -1.437 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -21.528 3.199 -2.752 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.424 4.386 -1.467 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -19.293 5.242 -2.456 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -19.444 4.078 -3.757 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -21.500 6.233 -3.119 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -20.271 6.367 -4.361 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -21.199 4.363 -5.501 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -22.421 4.215 -4.254 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -23.398 5.329 -6.072 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.155 6.511 -4.878 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -22.108 6.424 -6.212 1.00 1.99 H new ATOM 2133 N SER B 32 -21.338 2.136 0.566 1.00 0.34 N ATOM 2134 CA SER B 32 -21.746 2.065 1.964 1.00 0.37 C ATOM 2135 C SER B 32 -20.539 1.755 2.843 1.00 0.34 C ATOM 2136 O SER B 32 -20.196 2.507 3.764 1.00 0.37 O ATOM 2137 CB SER B 32 -22.789 0.957 2.134 1.00 0.45 C ATOM 2138 OG SER B 32 -23.408 1.015 3.405 1.00 1.33 O ATOM 0 H SER B 32 -21.878 1.536 -0.057 1.00 0.34 H new ATOM 0 HA SER B 32 -22.172 3.024 2.260 1.00 0.37 H new ATOM 0 HB2 SER B 32 -23.546 1.047 1.355 1.00 0.45 H new ATOM 0 HB3 SER B 32 -22.313 -0.015 2.005 1.00 0.45 H new ATOM 0 HG SER B 32 -23.168 0.218 3.922 1.00 1.33 H new ATOM 2144 N GLU B 33 -19.889 0.655 2.510 1.00 0.32 N ATOM 2145 CA GLU B 33 -18.756 0.149 3.255 1.00 0.34 C ATOM 2146 C GLU B 33 -17.543 1.052 3.099 1.00 0.30 C ATOM 2147 O GLU B 33 -16.848 1.338 4.075 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.426 -1.239 2.744 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.569 -2.214 2.856 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.146 -3.603 2.466 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -18.409 -3.737 1.473 1.00 2.32 O ATOM 2152 OE2 GLU B 33 -19.537 -4.556 3.159 1.00 2.15 O ATOM 0 H GLU B 33 -20.138 0.082 1.704 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.014 0.118 4.314 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.121 -1.169 1.700 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.573 -1.628 3.300 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -19.945 -2.220 3.879 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.390 -1.889 2.217 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.289 1.483 1.863 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.172 2.360 1.565 1.00 0.33 C ATOM 2161 C LEU B 34 -16.218 3.589 2.462 1.00 0.29 C ATOM 2162 O LEU B 34 -15.208 3.981 3.041 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.205 2.797 0.102 1.00 0.50 C ATOM 2164 CG LEU B 34 -14.972 3.572 -0.359 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -13.785 2.634 -0.479 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -15.241 4.278 -1.678 1.00 0.54 C ATOM 0 H LEU B 34 -17.851 1.232 1.050 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.249 1.810 1.749 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.317 1.913 -0.525 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.088 3.416 -0.059 1.00 0.50 H new ATOM 0 HG LEU B 34 -14.739 4.334 0.385 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -12.910 3.195 -0.808 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -13.581 2.179 0.490 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.010 1.853 -1.206 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -14.349 4.824 -1.987 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -15.498 3.541 -2.439 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.069 4.976 -1.555 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.405 4.183 2.576 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.613 5.322 3.458 1.00 0.29 C ATOM 2180 C LYS B 35 -17.166 5.005 4.875 1.00 0.29 C ATOM 2181 O LYS B 35 -16.285 5.670 5.414 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.083 5.731 3.483 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.496 6.646 2.345 1.00 0.39 C ATOM 2184 CD LYS B 35 -20.994 6.878 2.355 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.380 8.143 1.610 1.00 0.70 C ATOM 2186 NZ LYS B 35 -22.851 8.362 1.642 1.00 1.29 N ATOM 0 H LYS B 35 -18.238 3.890 2.065 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.014 6.145 3.068 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.699 4.832 3.453 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.293 6.230 4.429 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -18.976 7.600 2.432 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.198 6.206 1.393 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.496 6.023 1.902 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.344 6.943 3.385 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -20.873 8.999 2.056 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.043 8.076 0.576 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.110 9.084 0.940 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -23.340 7.471 1.419 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.134 8.684 2.590 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.765 3.978 5.462 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.499 3.629 6.853 1.00 0.32 C ATOM 2202 C GLU B 36 -16.034 3.332 7.074 1.00 0.31 C ATOM 2203 O GLU B 36 -15.428 3.853 7.996 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.333 2.429 7.270 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.796 2.618 6.971 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.635 1.412 7.341 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -20.880 1.199 8.547 1.00 1.31 O ATOM 2208 OE2 GLU B 36 -21.049 0.665 6.431 1.00 1.14 O ATOM 0 H GLU B 36 -18.439 3.370 4.997 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.773 4.488 7.466 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -17.971 1.540 6.753 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.203 2.252 8.338 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.163 3.489 7.513 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -19.920 2.828 5.909 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.466 2.509 6.218 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.072 2.142 6.348 1.00 0.26 C ATOM 2217 C LEU B 37 -13.193 3.384 6.243 1.00 0.27 C ATOM 2218 O LEU B 37 -12.368 3.634 7.107 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.702 1.115 5.272 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.367 0.383 5.481 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.312 -0.882 4.642 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.200 1.283 5.122 1.00 0.50 C ATOM 0 H LEU B 37 -15.947 2.082 5.426 1.00 0.27 H new ATOM 0 HA LEU B 37 -13.907 1.690 7.326 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.498 0.372 5.216 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -13.670 1.622 4.308 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.295 0.113 6.535 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.359 -1.385 4.804 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.127 -1.546 4.931 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.411 -0.624 3.588 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.265 0.745 5.277 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.278 1.581 4.076 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.217 2.171 5.754 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.391 4.171 5.199 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.591 5.371 4.995 1.00 0.29 C ATOM 2236 C LEU B 38 -12.718 6.331 6.175 1.00 0.30 C ATOM 2237 O LEU B 38 -11.730 6.720 6.774 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.011 6.069 3.706 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.132 5.792 2.484 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -10.750 6.382 2.689 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.030 4.301 2.208 1.00 0.43 C ATOM 0 H LEU B 38 -14.096 4.003 4.481 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.547 5.069 4.917 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.033 5.772 3.470 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.025 7.144 3.885 1.00 0.31 H new ATOM 0 HG LEU B 38 -12.597 6.265 1.619 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.134 6.178 1.813 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -10.832 7.459 2.833 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.289 5.933 3.569 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -11.400 4.135 1.334 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -11.593 3.800 3.072 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.025 3.897 2.020 1.00 0.43 H new ATOM 2253 N THR B 39 -13.940 6.713 6.487 1.00 0.31 N ATOM 2254 CA THR B 39 -14.219 7.597 7.620 1.00 0.33 C ATOM 2255 C THR B 39 -13.648 7.073 8.946 1.00 0.34 C ATOM 2256 O THR B 39 -13.126 7.839 9.756 1.00 0.38 O ATOM 2257 CB THR B 39 -15.739 7.795 7.782 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.389 6.533 7.970 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.321 8.473 6.558 1.00 0.34 C ATOM 0 H THR B 39 -14.771 6.425 5.970 1.00 0.31 H new ATOM 0 HA THR B 39 -13.728 8.544 7.395 1.00 0.33 H new ATOM 0 HB THR B 39 -15.905 8.424 8.656 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.429 6.055 7.115 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.395 8.604 6.691 1.00 0.34 H new ATOM 0 HG22 THR B 39 -15.850 9.447 6.423 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.137 7.856 5.678 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.753 5.771 9.158 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.438 5.160 10.451 1.00 0.36 C ATOM 2269 C ARG B 40 -11.993 4.688 10.567 1.00 0.40 C ATOM 2270 O ARG B 40 -11.353 4.907 11.599 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.426 4.022 10.701 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.779 4.537 11.164 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.862 3.480 11.070 1.00 0.56 C ATOM 2274 NE ARG B 40 -18.192 4.049 11.290 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.250 3.347 11.688 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.141 2.048 11.932 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.424 3.948 11.844 1.00 2.31 N ATOM 0 H ARG B 40 -14.057 5.106 8.447 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.541 5.924 11.222 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.552 3.443 9.786 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -14.018 3.346 11.453 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.700 4.882 12.195 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -16.063 5.399 10.560 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.826 3.008 10.088 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.674 2.699 11.807 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.316 5.048 11.128 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.242 1.581 11.815 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -19.956 1.516 12.237 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.514 4.947 11.659 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.236 3.411 12.149 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.476 4.070 9.525 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.122 3.546 9.552 1.00 0.46 C ATOM 2293 C GLU B 41 -9.154 4.597 9.029 1.00 0.54 C ATOM 2294 O GLU B 41 -8.027 4.719 9.494 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.050 2.291 8.685 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.197 1.307 8.924 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.285 0.784 10.350 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.696 1.537 11.253 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -10.969 -0.403 10.580 1.00 1.30 O ATOM 0 H GLU B 41 -11.972 3.917 8.647 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.848 3.293 10.576 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.050 2.586 7.636 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.104 1.784 8.874 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.138 1.795 8.669 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.082 0.462 8.246 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.631 5.430 8.120 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.785 6.445 7.510 1.00 0.41 C ATOM 2308 C LEU B 42 -9.289 7.880 7.793 1.00 0.37 C ATOM 2309 O LEU B 42 -9.372 8.695 6.871 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.718 6.178 5.999 1.00 0.44 C ATOM 2311 CG LEU B 42 -8.001 4.882 5.601 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -8.425 4.424 4.218 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.503 5.085 5.623 1.00 0.74 C ATOM 0 H LEU B 42 -10.595 5.425 7.788 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.790 6.380 7.950 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.734 6.149 5.605 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.214 7.017 5.519 1.00 0.44 H new ATOM 0 HG LEU B 42 -8.277 4.114 6.324 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.900 3.503 3.963 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.500 4.244 4.208 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -8.180 5.195 3.488 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -6.006 4.158 5.339 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.232 5.872 4.920 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.189 5.372 6.627 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.614 8.223 9.076 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.139 9.548 9.453 1.00 0.43 C ATOM 2327 C PRO B 43 -9.289 10.714 8.980 1.00 0.45 C ATOM 2328 O PRO B 43 -9.803 11.790 8.723 1.00 0.49 O ATOM 2329 CB PRO B 43 -10.105 9.524 10.975 1.00 0.50 C ATOM 2330 CG PRO B 43 -10.258 8.098 11.328 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.533 7.340 10.258 1.00 0.44 C ATOM 0 HA PRO B 43 -11.119 9.701 9.001 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -9.168 9.929 11.357 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.909 10.126 11.399 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.836 7.890 12.311 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.310 7.814 11.366 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.498 7.144 10.539 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -10.000 6.374 10.067 1.00 0.44 H new ATOM 2339 N SER B 44 -7.989 10.514 8.905 1.00 0.45 N ATOM 2340 CA SER B 44 -7.090 11.585 8.520 1.00 0.47 C ATOM 2341 C SER B 44 -7.212 11.840 7.021 1.00 0.44 C ATOM 2342 O SER B 44 -7.433 12.969 6.558 1.00 0.45 O ATOM 2343 CB SER B 44 -5.657 11.210 8.887 1.00 0.51 C ATOM 2344 OG SER B 44 -4.759 12.274 8.633 1.00 0.59 O ATOM 0 H SER B 44 -7.532 9.624 9.104 1.00 0.45 H new ATOM 0 HA SER B 44 -7.357 12.498 9.053 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.610 10.937 9.941 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.353 10.332 8.317 1.00 0.51 H new ATOM 0 HG SER B 44 -3.851 12.002 8.880 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.140 10.735 6.299 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.090 10.709 4.852 1.00 0.41 C ATOM 2352 C PHE B 45 -8.283 11.415 4.225 1.00 0.41 C ATOM 2353 O PHE B 45 -8.115 12.372 3.468 1.00 0.46 O ATOM 2354 CB PHE B 45 -6.980 9.248 4.436 1.00 0.45 C ATOM 2355 CG PHE B 45 -5.770 8.600 5.065 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -5.819 8.105 6.362 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -4.577 8.519 4.376 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -4.704 7.537 6.950 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -3.455 7.954 4.960 1.00 2.38 C ATOM 2360 CZ PHE B 45 -3.521 7.462 6.247 1.00 2.40 C ATOM 0 H PHE B 45 -7.114 9.805 6.718 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.224 11.262 4.488 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -7.881 8.712 4.734 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -6.912 9.179 3.350 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -6.742 8.165 6.920 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -4.517 8.901 3.368 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -4.760 7.153 7.958 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -2.529 7.899 4.408 1.00 2.38 H new ATOM 0 HZ PHE B 45 -2.648 7.019 6.703 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.484 10.964 4.539 1.00 0.45 N ATOM 2371 CA LEU B 46 -10.673 11.653 4.062 1.00 0.57 C ATOM 2372 C LEU B 46 -11.160 12.691 5.054 1.00 0.65 C ATOM 2373 O LEU B 46 -12.116 13.405 4.783 1.00 0.66 O ATOM 2374 CB LEU B 46 -11.790 10.682 3.728 1.00 0.67 C ATOM 2375 CG LEU B 46 -11.605 9.909 2.431 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -12.884 9.184 2.100 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.197 10.835 1.290 1.00 0.54 C ATOM 0 H LEU B 46 -9.663 10.139 5.112 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.385 12.169 3.146 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -11.888 9.969 4.547 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -12.727 11.235 3.673 1.00 0.67 H new ATOM 0 HG LEU B 46 -10.802 9.184 2.563 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -12.757 8.628 1.171 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.129 8.493 2.906 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -13.692 9.906 1.983 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.072 10.254 0.376 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -11.970 11.588 1.138 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.256 11.326 1.539 1.00 0.54 H new ATOM 2389 N GLY B 47 -10.510 12.785 6.200 1.00 0.74 N ATOM 2390 CA GLY B 47 -10.827 13.858 7.122 1.00 0.90 C ATOM 2391 C GLY B 47 -10.613 15.192 6.460 1.00 0.89 C ATOM 2392 O GLY B 47 -11.267 16.183 6.788 1.00 0.99 O ATOM 0 H GLY B 47 -9.776 12.147 6.509 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -11.862 13.770 7.452 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.201 13.780 8.011 1.00 0.90 H new ATOM 2396 N LYS B 48 -9.679 15.205 5.525 1.00 0.79 N ATOM 2397 CA LYS B 48 -9.460 16.362 4.677 1.00 0.82 C ATOM 2398 C LYS B 48 -10.575 16.550 3.653 1.00 0.78 C ATOM 2399 O LYS B 48 -10.893 17.677 3.282 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.147 16.220 3.929 1.00 0.81 C ATOM 2401 CG LYS B 48 -6.907 16.352 4.799 1.00 1.08 C ATOM 2402 CD LYS B 48 -6.842 17.705 5.490 1.00 1.51 C ATOM 2403 CE LYS B 48 -5.552 17.868 6.279 1.00 2.27 C ATOM 2404 NZ LYS B 48 -5.367 16.791 7.291 1.00 3.17 N ATOM 0 H LYS B 48 -9.056 14.420 5.334 1.00 0.79 H new ATOM 0 HA LYS B 48 -9.441 17.232 5.334 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.128 15.248 3.436 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -8.107 16.976 3.145 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -6.903 15.561 5.549 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -6.017 16.214 4.186 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -6.917 18.498 4.746 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -7.695 17.814 6.160 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -4.706 17.867 5.592 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -5.555 18.837 6.779 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -4.570 17.033 7.914 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -6.233 16.695 7.858 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -5.168 15.892 6.808 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.164 15.455 3.193 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.094 15.523 2.077 1.00 0.81 C ATOM 2420 C ARG B 49 -13.153 14.424 2.165 1.00 0.74 C ATOM 2421 O ARG B 49 -13.075 13.414 1.469 1.00 1.00 O ATOM 2422 CB ARG B 49 -11.317 15.410 0.758 1.00 0.95 C ATOM 2423 CG ARG B 49 -11.888 16.244 -0.383 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.325 15.868 -0.694 1.00 1.01 C ATOM 2425 NE ARG B 49 -13.845 16.586 -1.859 1.00 1.61 N ATOM 2426 CZ ARG B 49 -14.936 17.350 -1.849 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -15.577 17.595 -0.711 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -15.367 17.899 -2.977 1.00 2.50 N ATOM 0 H ARG B 49 -11.016 14.519 3.571 1.00 0.73 H new ATOM 0 HA ARG B 49 -12.611 16.482 2.116 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -10.284 15.713 0.932 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.295 14.364 0.452 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -11.838 17.301 -0.121 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -11.276 16.107 -1.274 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.387 14.795 -0.873 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -13.951 16.083 0.172 1.00 1.01 H new ATOM 0 HE ARG B 49 -13.337 16.495 -2.739 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -15.234 17.197 0.163 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -16.412 18.181 -0.712 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -14.863 17.736 -3.849 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -16.202 18.485 -2.973 1.00 2.50 H new ATOM 2442 N THR B 50 -14.139 14.625 3.022 1.00 0.75 N ATOM 2443 CA THR B 50 -15.260 13.695 3.119 1.00 0.72 C ATOM 2444 C THR B 50 -16.520 14.273 2.491 1.00 0.82 C ATOM 2445 O THR B 50 -17.055 15.282 2.950 1.00 1.33 O ATOM 2446 CB THR B 50 -15.574 13.289 4.573 1.00 0.73 C ATOM 2447 OG1 THR B 50 -15.311 14.384 5.462 1.00 0.83 O ATOM 2448 CG2 THR B 50 -14.762 12.077 4.995 1.00 0.63 C ATOM 0 H THR B 50 -14.190 15.419 3.660 1.00 0.75 H new ATOM 0 HA THR B 50 -14.949 12.805 2.571 1.00 0.72 H new ATOM 0 HB THR B 50 -16.631 13.027 4.625 1.00 0.73 H new ATOM 0 HG1 THR B 50 -15.516 14.115 6.382 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.006 11.816 6.025 1.00 0.63 H new ATOM 0 HG22 THR B 50 -14.997 11.236 4.342 1.00 0.63 H new ATOM 0 HG23 THR B 50 -13.699 12.308 4.921 1.00 0.63 H new ATOM 2456 N ASP B 51 -16.979 13.628 1.434 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.224 13.998 0.779 1.00 0.61 C ATOM 2458 C ASP B 51 -18.705 12.819 -0.042 1.00 0.58 C ATOM 2459 O ASP B 51 -17.880 12.035 -0.503 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.024 15.220 -0.122 1.00 0.68 C ATOM 2461 CG ASP B 51 -19.324 15.742 -0.698 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -19.751 15.250 -1.759 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -19.925 16.653 -0.090 1.00 1.77 O ATOM 0 H ASP B 51 -16.502 12.835 1.005 1.00 0.57 H new ATOM 0 HA ASP B 51 -18.966 14.258 1.534 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.541 16.012 0.450 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -17.349 14.958 -0.937 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.007 12.664 -0.216 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.528 11.525 -0.975 1.00 0.71 C ATOM 2470 C GLU B 52 -19.929 11.497 -2.375 1.00 0.66 C ATOM 2471 O GLU B 52 -19.573 10.435 -2.888 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.051 11.555 -1.061 1.00 0.87 C ATOM 2473 CG GLU B 52 -22.730 11.669 0.291 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.209 11.370 0.224 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -24.995 12.274 -0.123 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -24.594 10.220 0.511 1.00 1.90 O ATOM 0 H GLU B 52 -20.718 13.298 0.149 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.238 10.619 -0.443 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.356 12.396 -1.684 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.397 10.649 -1.558 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -22.255 10.982 0.991 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.584 12.675 0.683 1.00 0.95 H new ATOM 2483 N ALA B 53 -19.784 12.676 -2.968 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.176 12.794 -4.282 1.00 0.76 C ATOM 2485 C ALA B 53 -17.708 12.396 -4.220 1.00 0.66 C ATOM 2486 O ALA B 53 -17.184 11.777 -5.141 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.322 14.210 -4.814 1.00 0.91 C ATOM 0 H ALA B 53 -20.080 13.562 -2.558 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.692 12.118 -4.965 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -18.860 14.278 -5.799 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.380 14.463 -4.891 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -18.831 14.906 -4.134 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.054 12.735 -3.117 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.659 12.380 -2.915 1.00 0.58 C ATOM 2495 C ALA B 54 -15.514 10.874 -2.787 1.00 0.48 C ATOM 2496 O ALA B 54 -14.586 10.285 -3.329 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.105 13.072 -1.681 1.00 0.64 C ATOM 0 H ALA B 54 -17.471 13.258 -2.347 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.088 12.714 -3.781 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.060 12.794 -1.546 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.180 14.152 -1.805 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -15.677 12.767 -0.805 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.450 10.259 -2.074 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.484 8.810 -1.938 1.00 0.42 C ATOM 2505 C PHE B 55 -16.725 8.151 -3.284 1.00 0.44 C ATOM 2506 O PHE B 55 -16.105 7.148 -3.607 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.575 8.376 -0.961 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.230 8.627 0.480 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.299 7.834 1.130 1.00 1.87 C ATOM 2510 CD2 PHE B 55 -17.833 9.656 1.184 1.00 1.97 C ATOM 2511 CE1 PHE B 55 -15.979 8.065 2.453 1.00 2.69 C ATOM 2512 CE2 PHE B 55 -17.515 9.891 2.506 1.00 2.77 C ATOM 2513 CZ PHE B 55 -16.586 9.096 3.141 1.00 2.95 C ATOM 0 H PHE B 55 -17.198 10.745 -1.579 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.516 8.494 -1.550 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -18.497 8.904 -1.202 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.772 7.313 -1.099 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -15.819 7.027 0.597 1.00 1.87 H new ATOM 0 HD2 PHE B 55 -18.562 10.283 0.692 1.00 1.97 H new ATOM 0 HE1 PHE B 55 -15.253 7.438 2.950 1.00 2.69 H new ATOM 0 HE2 PHE B 55 -17.994 10.697 3.042 1.00 2.77 H new ATOM 0 HZ PHE B 55 -16.333 9.279 4.175 1.00 2.95 H new ATOM 2523 N GLN B 56 -17.635 8.722 -4.058 1.00 0.48 N ATOM 2524 CA GLN B 56 -17.936 8.221 -5.390 1.00 0.54 C ATOM 2525 C GLN B 56 -16.717 8.343 -6.301 1.00 0.53 C ATOM 2526 O GLN B 56 -16.358 7.395 -6.999 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.118 8.990 -5.980 1.00 0.62 C ATOM 2528 CG GLN B 56 -19.446 8.610 -7.412 1.00 0.76 C ATOM 2529 CD GLN B 56 -19.831 7.151 -7.574 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.000 6.789 -7.451 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -18.854 6.306 -7.865 1.00 0.87 N ATOM 0 H GLN B 56 -18.181 9.539 -3.784 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.200 7.166 -5.314 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -19.997 8.818 -5.359 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.902 10.057 -5.938 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.264 9.236 -7.768 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -18.584 8.823 -8.044 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -17.897 6.646 -7.959 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -19.059 5.315 -7.996 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.083 9.507 -6.285 1.00 0.51 N ATOM 2541 CA LYS B 57 -14.895 9.733 -7.095 1.00 0.51 C ATOM 2542 C LYS B 57 -13.769 8.808 -6.661 1.00 0.47 C ATOM 2543 O LYS B 57 -13.151 8.148 -7.491 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.443 11.193 -7.010 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.674 11.973 -8.296 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.154 12.122 -8.621 1.00 1.00 C ATOM 2547 CE LYS B 57 -16.826 13.164 -7.739 1.00 0.86 C ATOM 2548 NZ LYS B 57 -16.245 14.518 -7.932 1.00 1.60 N ATOM 0 H LYS B 57 -16.371 10.307 -5.722 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.149 9.513 -8.132 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -14.976 11.684 -6.195 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.382 11.223 -6.761 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.222 12.961 -8.206 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.172 11.467 -9.121 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.269 12.403 -9.668 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.653 11.161 -8.492 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.893 13.193 -7.961 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.726 12.873 -6.693 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -16.925 15.236 -7.610 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -15.367 14.601 -7.381 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -16.036 14.666 -8.940 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.519 8.756 -5.355 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.504 7.879 -4.800 1.00 0.43 C ATOM 2564 C LEU B 58 -12.796 6.436 -5.162 1.00 0.42 C ATOM 2565 O LEU B 58 -11.895 5.685 -5.530 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.447 8.023 -3.283 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.319 7.249 -2.614 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -9.977 7.743 -3.126 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.407 7.380 -1.105 1.00 0.40 C ATOM 0 H LEU B 58 -14.012 9.317 -4.661 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.540 8.165 -5.222 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -12.342 9.079 -3.035 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.397 7.690 -2.864 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.416 6.193 -2.865 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.175 7.185 -2.643 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -9.923 7.596 -4.205 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -9.869 8.803 -2.898 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -10.593 6.821 -0.643 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.329 8.431 -0.826 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.362 6.983 -0.760 1.00 0.40 H new ATOM 2581 N MET B 59 -14.060 6.062 -5.051 1.00 0.45 N ATOM 2582 CA MET B 59 -14.515 4.747 -5.456 1.00 0.48 C ATOM 2583 C MET B 59 -14.076 4.464 -6.875 1.00 0.48 C ATOM 2584 O MET B 59 -13.302 3.555 -7.109 1.00 0.48 O ATOM 2585 CB MET B 59 -16.038 4.655 -5.333 1.00 0.54 C ATOM 2586 CG MET B 59 -16.650 3.433 -5.997 1.00 0.57 C ATOM 2587 SD MET B 59 -18.129 2.857 -5.153 1.00 1.64 S ATOM 2588 CE MET B 59 -17.412 2.149 -3.674 1.00 2.39 C ATOM 0 H MET B 59 -14.796 6.662 -4.678 1.00 0.45 H new ATOM 0 HA MET B 59 -14.072 3.998 -4.800 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.305 4.651 -4.276 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.480 5.550 -5.770 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.896 3.671 -7.032 1.00 0.57 H new ATOM 0 HG3 MET B 59 -15.914 2.630 -6.021 1.00 0.57 H new ATOM 0 HE1 MET B 59 -17.954 1.243 -3.405 1.00 2.39 H new ATOM 0 HE2 MET B 59 -16.366 1.905 -3.858 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.479 2.868 -2.857 1.00 2.39 H new ATOM 2598 N SER B 60 -14.523 5.293 -7.799 1.00 0.49 N ATOM 2599 CA SER B 60 -14.194 5.135 -9.213 1.00 0.52 C ATOM 2600 C SER B 60 -12.677 5.167 -9.459 1.00 0.51 C ATOM 2601 O SER B 60 -12.191 4.614 -10.444 1.00 0.55 O ATOM 2602 CB SER B 60 -14.883 6.234 -10.017 1.00 0.55 C ATOM 2603 OG SER B 60 -16.274 6.261 -9.743 1.00 1.34 O ATOM 0 H SER B 60 -15.122 6.093 -7.598 1.00 0.49 H new ATOM 0 HA SER B 60 -14.551 4.157 -9.537 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.441 7.200 -9.774 1.00 0.55 H new ATOM 0 HB3 SER B 60 -14.721 6.068 -11.082 1.00 0.55 H new ATOM 0 HG SER B 60 -16.697 6.973 -10.267 1.00 1.34 H new ATOM 2609 N ASN B 61 -11.938 5.813 -8.562 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.478 5.882 -8.666 1.00 0.50 C ATOM 2611 C ASN B 61 -9.862 4.515 -8.415 1.00 0.49 C ATOM 2612 O ASN B 61 -8.974 4.068 -9.144 1.00 0.56 O ATOM 2613 CB ASN B 61 -9.892 6.872 -7.651 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.189 8.319 -7.984 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.333 8.686 -9.148 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.275 9.162 -6.962 1.00 0.57 N ATOM 0 H ASN B 61 -12.324 6.298 -7.752 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.243 6.220 -9.675 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.290 6.645 -6.662 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -8.812 6.733 -7.600 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.466 10.150 -7.130 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.150 8.822 -6.009 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.343 3.863 -7.373 1.00 0.44 N ATOM 2624 CA LEU B 62 -9.796 2.589 -6.935 1.00 0.43 C ATOM 2625 C LEU B 62 -10.478 1.455 -7.678 1.00 0.48 C ATOM 2626 O LEU B 62 -9.823 0.559 -8.207 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.021 2.436 -5.432 1.00 0.38 C ATOM 2628 CG LEU B 62 -9.867 3.728 -4.628 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.169 3.486 -3.158 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.478 4.319 -4.820 1.00 0.35 C ATOM 0 H LEU B 62 -11.122 4.199 -6.807 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.727 2.557 -7.147 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.022 2.039 -5.267 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.318 1.698 -5.046 1.00 0.38 H new ATOM 0 HG LEU B 62 -10.590 4.454 -5.000 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.053 4.418 -2.605 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.192 3.125 -3.051 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.478 2.741 -2.763 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.390 5.237 -4.239 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -7.728 3.603 -4.483 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.319 4.540 -5.875 1.00 0.35 H new ATOM 2642 N ASP B 63 -11.801 1.537 -7.701 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.672 0.608 -8.412 1.00 0.53 C ATOM 2644 C ASP B 63 -12.408 0.703 -9.914 1.00 0.57 C ATOM 2645 O ASP B 63 -13.142 1.351 -10.657 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.131 0.962 -8.050 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.203 0.244 -8.839 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.336 -0.988 -8.714 1.00 1.24 O ATOM 2649 OD2 ASP B 63 -15.965 0.929 -9.552 1.00 1.34 O ATOM 0 H ASP B 63 -12.313 2.271 -7.213 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.478 -0.424 -8.122 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.283 0.750 -6.992 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.267 2.035 -8.183 1.00 0.56 H new ATOM 2654 N SER B 64 -11.329 0.065 -10.344 1.00 0.58 N ATOM 2655 CA SER B 64 -10.900 0.103 -11.732 1.00 0.64 C ATOM 2656 C SER B 64 -11.745 -0.861 -12.545 1.00 0.65 C ATOM 2657 O SER B 64 -11.871 -0.736 -13.765 1.00 0.75 O ATOM 2658 CB SER B 64 -9.414 -0.260 -11.834 1.00 0.72 C ATOM 2659 OG SER B 64 -8.911 -0.042 -13.143 1.00 1.38 O ATOM 0 H SER B 64 -10.727 -0.493 -9.739 1.00 0.58 H new ATOM 0 HA SER B 64 -11.032 1.110 -12.128 1.00 0.64 H new ATOM 0 HB2 SER B 64 -8.844 0.335 -11.121 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.275 -1.306 -11.560 1.00 0.72 H new ATOM 0 HG SER B 64 -7.961 -0.282 -13.173 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.331 -1.822 -11.847 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.255 -2.763 -12.459 1.00 0.72 C ATOM 2667 C ASN B 65 -14.596 -2.069 -12.712 1.00 0.69 C ATOM 2668 O ASN B 65 -15.456 -2.564 -13.445 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.438 -3.988 -11.557 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.372 -3.701 -10.408 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -15.552 -4.030 -10.464 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -13.855 -3.090 -9.360 1.00 1.16 N ATOM 0 H ASN B 65 -12.181 -1.971 -10.849 1.00 0.63 H new ATOM 0 HA ASN B 65 -12.849 -3.103 -13.412 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -13.829 -4.818 -12.145 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -12.469 -4.302 -11.169 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -14.442 -2.874 -8.555 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -12.868 -2.834 -9.355 1.00 1.16 H new ATOM 2679 N ARG B 66 -14.718 -0.892 -12.084 1.00 0.60 N ATOM 2680 CA ARG B 66 -15.848 0.017 -12.224 1.00 0.60 C ATOM 2681 C ARG B 66 -17.194 -0.648 -11.990 1.00 0.60 C ATOM 2682 O ARG B 66 -18.114 -0.520 -12.796 1.00 0.69 O ATOM 2683 CB ARG B 66 -15.821 0.710 -13.574 1.00 0.67 C ATOM 2684 CG ARG B 66 -14.647 1.665 -13.748 1.00 0.70 C ATOM 2685 CD ARG B 66 -14.715 2.829 -12.766 1.00 0.70 C ATOM 2686 NE ARG B 66 -13.807 3.915 -13.140 1.00 0.78 N ATOM 2687 CZ ARG B 66 -14.205 5.151 -13.441 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -15.499 5.454 -13.460 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -13.306 6.084 -13.729 1.00 1.15 N ATOM 0 H ARG B 66 -14.005 -0.541 -11.445 1.00 0.60 H new ATOM 0 HA ARG B 66 -15.734 0.762 -11.437 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -15.784 -0.045 -14.359 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -16.751 1.263 -13.707 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -13.713 1.122 -13.605 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -14.639 2.050 -14.768 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -15.736 3.208 -12.723 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.464 2.475 -11.766 1.00 0.70 H new ATOM 0 HE ARG B 66 -12.808 3.713 -13.172 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -16.193 4.739 -13.244 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -15.798 6.402 -13.691 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.312 5.855 -13.720 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -13.609 7.030 -13.960 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.313 -1.323 -10.864 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.581 -1.919 -10.465 1.00 0.61 C ATOM 2705 C ASP B 67 -19.101 -1.191 -9.236 1.00 0.56 C ATOM 2706 O ASP B 67 -20.189 -1.477 -8.727 1.00 0.57 O ATOM 2707 CB ASP B 67 -18.410 -3.411 -10.172 1.00 0.69 C ATOM 2708 CG ASP B 67 -19.721 -4.166 -10.191 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.399 -4.165 -11.240 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.066 -4.797 -9.173 1.00 1.63 O ATOM 0 H ASP B 67 -16.549 -1.475 -10.206 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.299 -1.821 -11.279 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -17.735 -3.846 -10.909 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -17.939 -3.533 -9.196 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.294 -0.228 -8.790 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.586 0.601 -7.627 1.00 0.51 C ATOM 2717 C ASN B 68 -18.520 -0.198 -6.341 1.00 0.46 C ATOM 2718 O ASN B 68 -19.314 0.000 -5.419 1.00 0.47 O ATOM 2719 CB ASN B 68 -19.922 1.331 -7.775 1.00 0.58 C ATOM 2720 CG ASN B 68 -19.761 2.672 -8.471 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -20.598 3.563 -8.324 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -18.665 2.845 -9.197 1.00 0.66 N ATOM 0 H ASN B 68 -17.405 -0.001 -9.236 1.00 0.53 H new ATOM 0 HA ASN B 68 -17.810 1.364 -7.570 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -20.615 0.709 -8.342 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.363 1.484 -6.790 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -18.493 3.740 -9.656 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -17.994 2.084 -9.296 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.559 -1.110 -6.300 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.186 -1.798 -5.078 1.00 0.42 C ATOM 2731 C GLU B 69 -15.686 -2.057 -5.113 1.00 0.40 C ATOM 2732 O GLU B 69 -15.189 -2.771 -5.984 1.00 0.44 O ATOM 2733 CB GLU B 69 -17.933 -3.123 -4.902 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.446 -3.019 -5.002 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.146 -4.325 -4.684 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.189 -5.214 -5.556 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -20.671 -4.466 -3.563 1.00 1.31 O ATOM 0 H GLU B 69 -17.017 -1.392 -7.116 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.457 -1.165 -4.233 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.580 -3.826 -5.657 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.675 -3.543 -3.930 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -19.799 -2.247 -4.318 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -19.718 -2.702 -6.009 1.00 0.50 H new ATOM 2744 N VAL B 70 -14.976 -1.468 -4.171 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.511 -1.526 -4.157 1.00 0.36 C ATOM 2746 C VAL B 70 -12.991 -2.843 -3.589 1.00 0.35 C ATOM 2747 O VAL B 70 -13.230 -3.166 -2.430 1.00 0.36 O ATOM 2748 CB VAL B 70 -12.920 -0.355 -3.343 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.447 -0.574 -3.037 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.101 0.948 -4.093 1.00 0.36 C ATOM 0 H VAL B 70 -15.383 -0.940 -3.399 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.189 -1.450 -5.196 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.458 -0.306 -2.396 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.065 0.270 -2.463 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.328 -1.490 -2.458 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -10.890 -0.660 -3.970 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.680 1.766 -3.508 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.590 0.889 -5.054 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.163 1.129 -4.257 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.264 -3.592 -4.407 1.00 0.37 N ATOM 2761 CA ASP B 71 -11.667 -4.849 -3.961 1.00 0.39 C ATOM 2762 C ASP B 71 -10.461 -4.565 -3.082 1.00 0.37 C ATOM 2763 O ASP B 71 -9.971 -3.439 -3.063 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.269 -5.726 -5.159 1.00 0.45 C ATOM 2765 CG ASP B 71 -9.768 -5.923 -5.307 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.131 -5.118 -5.988 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -9.216 -6.888 -4.727 1.00 1.35 O ATOM 0 H ASP B 71 -12.072 -3.354 -5.380 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.408 -5.397 -3.379 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -11.745 -6.701 -5.057 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -11.658 -5.275 -6.072 1.00 0.45 H new ATOM 2772 N PHE B 72 -9.977 -5.559 -2.351 1.00 0.41 N ATOM 2773 CA PHE B 72 -8.861 -5.317 -1.458 1.00 0.44 C ATOM 2774 C PHE B 72 -7.632 -4.869 -2.229 1.00 0.40 C ATOM 2775 O PHE B 72 -6.863 -4.058 -1.740 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.503 -6.526 -0.607 1.00 0.54 C ATOM 2777 CG PHE B 72 -7.395 -6.193 0.344 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -7.605 -5.283 1.361 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -6.140 -6.743 0.198 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -6.590 -4.935 2.220 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -5.116 -6.396 1.051 1.00 2.18 C ATOM 2782 CZ PHE B 72 -5.343 -5.490 2.064 1.00 2.15 C ATOM 0 H PHE B 72 -10.330 -6.516 -2.359 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.188 -4.523 -0.786 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -9.379 -6.858 -0.050 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -8.201 -7.353 -1.250 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -8.581 -4.838 1.483 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -5.957 -7.454 -0.594 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -6.772 -4.227 3.015 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -4.136 -6.833 0.926 1.00 2.18 H new ATOM 0 HZ PHE B 72 -4.542 -5.217 2.734 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.441 -5.397 -3.422 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.334 -4.970 -4.258 1.00 0.37 C ATOM 2794 C GLN B 73 -6.484 -3.496 -4.622 1.00 0.36 C ATOM 2795 O GLN B 73 -5.553 -2.713 -4.443 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.225 -5.838 -5.516 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.137 -5.382 -6.467 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.682 -4.729 -7.719 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -5.814 -5.369 -8.763 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.063 -3.472 -7.599 1.00 0.41 N ATOM 0 H GLN B 73 -8.033 -6.118 -3.833 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.410 -5.093 -3.692 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.032 -6.869 -5.222 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.182 -5.830 -6.039 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.483 -4.678 -5.952 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.525 -6.239 -6.748 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -5.933 -2.982 -6.714 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.487 -2.990 -8.391 1.00 0.41 H new ATOM 2809 N GLU B 74 -7.653 -3.130 -5.131 1.00 0.37 N ATOM 2810 CA GLU B 74 -7.966 -1.742 -5.452 1.00 0.39 C ATOM 2811 C GLU B 74 -7.815 -0.858 -4.207 1.00 0.38 C ATOM 2812 O GLU B 74 -7.388 0.294 -4.293 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.390 -1.655 -6.024 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.585 -2.492 -7.289 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.031 -2.569 -7.759 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -11.910 -2.948 -6.951 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -11.294 -2.284 -8.953 1.00 2.18 O ATOM 0 H GLU B 74 -8.409 -3.784 -5.333 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.266 -1.378 -6.204 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.100 -1.985 -5.265 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.622 -0.613 -6.246 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -8.975 -2.072 -8.089 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.218 -3.502 -7.105 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.134 -1.428 -3.051 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.012 -0.739 -1.771 1.00 0.36 C ATOM 2826 C TYR B 75 -6.540 -0.638 -1.336 1.00 0.34 C ATOM 2827 O TYR B 75 -6.118 0.350 -0.735 1.00 0.34 O ATOM 2828 CB TYR B 75 -8.836 -1.486 -0.713 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.685 -0.932 0.688 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.240 0.291 1.035 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -7.983 -1.634 1.661 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.101 0.801 2.311 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -7.841 -1.130 2.941 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.400 0.088 3.261 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.271 0.594 4.535 1.00 2.33 O ATOM 0 H TYR B 75 -8.485 -2.383 -2.974 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.394 0.276 -1.878 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -9.888 -1.451 -0.995 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.541 -2.535 -0.712 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.790 0.854 0.295 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -7.542 -2.588 1.413 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.540 1.755 2.564 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.294 -1.689 3.686 1.00 2.09 H new ATOM 0 HH TYR B 75 -7.366 0.950 4.655 1.00 2.33 H new ATOM 2845 N SER B 76 -5.764 -1.668 -1.647 1.00 0.35 N ATOM 2846 CA SER B 76 -4.340 -1.701 -1.330 1.00 0.36 C ATOM 2847 C SER B 76 -3.596 -0.700 -2.190 1.00 0.36 C ATOM 2848 O SER B 76 -2.724 0.031 -1.711 1.00 0.41 O ATOM 2849 CB SER B 76 -3.777 -3.101 -1.572 1.00 0.41 C ATOM 2850 OG SER B 76 -4.396 -4.051 -0.731 1.00 1.21 O ATOM 0 H SER B 76 -6.102 -2.503 -2.125 1.00 0.35 H new ATOM 0 HA SER B 76 -4.210 -1.442 -0.279 1.00 0.36 H new ATOM 0 HB2 SER B 76 -3.927 -3.381 -2.615 1.00 0.41 H new ATOM 0 HB3 SER B 76 -2.702 -3.099 -1.394 1.00 0.41 H new ATOM 0 HG SER B 76 -5.342 -4.134 -0.972 1.00 1.21 H new ATOM 2856 N VAL B 77 -3.958 -0.674 -3.463 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.414 0.291 -4.394 1.00 0.36 C ATOM 2858 C VAL B 77 -3.766 1.679 -3.910 1.00 0.33 C ATOM 2859 O VAL B 77 -3.004 2.625 -4.059 1.00 0.32 O ATOM 2860 CB VAL B 77 -3.967 0.082 -5.822 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -3.535 1.212 -6.742 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -3.519 -1.260 -6.380 1.00 0.43 C ATOM 0 H VAL B 77 -4.633 -1.319 -3.874 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.333 0.161 -4.438 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.056 0.086 -5.766 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -3.937 1.042 -7.741 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -3.911 2.159 -6.356 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -2.447 1.246 -6.790 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -3.919 -1.388 -7.386 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.430 -1.294 -6.415 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -3.886 -2.061 -5.739 1.00 0.43 H new ATOM 2872 N PHE B 78 -4.921 1.761 -3.283 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.396 3.013 -2.712 1.00 0.29 C ATOM 2874 C PHE B 78 -4.463 3.486 -1.605 1.00 0.27 C ATOM 2875 O PHE B 78 -3.870 4.560 -1.701 1.00 0.28 O ATOM 2876 CB PHE B 78 -6.811 2.848 -2.158 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.292 4.026 -1.355 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.132 5.321 -1.823 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -7.904 3.832 -0.128 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.572 6.399 -1.082 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.346 4.907 0.615 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.180 6.191 0.139 1.00 0.37 C ATOM 0 H PHE B 78 -5.555 0.972 -3.153 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.411 3.761 -3.505 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.498 2.681 -2.987 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -6.844 1.956 -1.532 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -6.657 5.488 -2.779 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.037 2.829 0.251 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.441 7.403 -1.457 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -8.822 4.743 1.570 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.525 7.032 0.721 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.333 2.671 -0.566 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.527 3.024 0.599 1.00 0.27 C ATOM 2894 C LEU B 79 -2.096 3.375 0.201 1.00 0.31 C ATOM 2895 O LEU B 79 -1.508 4.325 0.721 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.514 1.879 1.604 1.00 0.29 C ATOM 2897 CG LEU B 79 -4.887 1.456 2.121 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -4.735 0.449 3.235 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.681 2.659 2.599 1.00 0.30 C ATOM 0 H LEU B 79 -4.778 1.755 -0.505 1.00 0.27 H new ATOM 0 HA LEU B 79 -3.980 3.902 1.058 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.035 1.016 1.142 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -2.896 2.169 2.454 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.435 0.994 1.300 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -5.720 0.154 3.596 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.208 -0.429 2.862 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.167 0.894 4.052 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.655 2.331 2.962 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.141 3.154 3.406 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -5.818 3.356 1.772 1.00 0.30 H new ATOM 2911 N SER B 80 -1.542 2.612 -0.731 1.00 0.36 N ATOM 2912 CA SER B 80 -0.194 2.866 -1.211 1.00 0.47 C ATOM 2913 C SER B 80 -0.143 4.155 -2.008 1.00 0.37 C ATOM 2914 O SER B 80 0.769 4.960 -1.826 1.00 0.38 O ATOM 2915 CB SER B 80 0.295 1.713 -2.070 1.00 0.66 C ATOM 2916 OG SER B 80 -0.673 1.351 -3.036 1.00 0.84 O ATOM 0 H SER B 80 -2.005 1.815 -1.168 1.00 0.36 H new ATOM 0 HA SER B 80 0.458 2.962 -0.343 1.00 0.47 H new ATOM 0 HB2 SER B 80 1.223 1.995 -2.568 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.521 0.854 -1.437 1.00 0.66 H new ATOM 0 HG SER B 80 -1.347 0.772 -2.623 1.00 0.84 H new ATOM 2922 N SER B 81 -1.123 4.346 -2.889 1.00 0.33 N ATOM 2923 CA SER B 81 -1.210 5.570 -3.664 1.00 0.30 C ATOM 2924 C SER B 81 -1.240 6.766 -2.735 1.00 0.24 C ATOM 2925 O SER B 81 -0.637 7.779 -3.027 1.00 0.26 O ATOM 2926 CB SER B 81 -2.438 5.578 -4.576 1.00 0.37 C ATOM 2927 OG SER B 81 -2.324 4.598 -5.595 1.00 1.22 O ATOM 0 H SER B 81 -1.862 3.669 -3.079 1.00 0.33 H new ATOM 0 HA SER B 81 -0.328 5.626 -4.302 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.335 5.390 -3.985 1.00 0.37 H new ATOM 0 HB3 SER B 81 -2.554 6.564 -5.027 1.00 0.37 H new ATOM 0 HG SER B 81 -2.243 3.710 -5.188 1.00 1.22 H new ATOM 2933 N ILE B 82 -1.924 6.630 -1.606 1.00 0.23 N ATOM 2934 CA ILE B 82 -1.926 7.678 -0.595 1.00 0.23 C ATOM 2935 C ILE B 82 -0.518 7.957 -0.109 1.00 0.27 C ATOM 2936 O ILE B 82 -0.008 9.069 -0.227 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.722 7.297 0.652 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.154 6.902 0.312 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.690 8.459 1.628 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -4.912 6.375 1.508 1.00 0.23 C ATOM 0 H ILE B 82 -2.481 5.809 -1.369 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.377 8.542 -1.082 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.262 6.422 1.111 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.679 7.767 -0.094 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.141 6.142 -0.469 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.255 8.198 2.523 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.657 8.676 1.902 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.134 9.338 1.161 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -5.926 6.109 1.208 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.406 5.492 1.899 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -4.952 7.143 2.281 1.00 0.23 H new ATOM 2952 N ALA B 83 0.085 6.931 0.467 1.00 0.30 N ATOM 2953 CA ALA B 83 1.385 7.051 1.092 1.00 0.36 C ATOM 2954 C ALA B 83 2.411 7.618 0.119 1.00 0.37 C ATOM 2955 O ALA B 83 3.144 8.553 0.451 1.00 0.42 O ATOM 2956 CB ALA B 83 1.817 5.695 1.633 1.00 0.40 C ATOM 0 H ALA B 83 -0.315 5.994 0.513 1.00 0.30 H new ATOM 0 HA ALA B 83 1.316 7.751 1.925 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.796 5.786 2.103 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.091 5.349 2.369 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.873 4.978 0.814 1.00 0.40 H new ATOM 2962 N MET B 84 2.434 7.089 -1.096 1.00 0.37 N ATOM 2963 CA MET B 84 3.412 7.523 -2.077 1.00 0.43 C ATOM 2964 C MET B 84 3.038 8.866 -2.694 1.00 0.34 C ATOM 2965 O MET B 84 3.923 9.661 -2.982 1.00 0.37 O ATOM 2966 CB MET B 84 3.666 6.442 -3.137 1.00 0.64 C ATOM 2967 CG MET B 84 2.488 6.093 -4.033 1.00 0.44 C ATOM 2968 SD MET B 84 2.372 7.186 -5.469 1.00 1.00 S ATOM 2969 CE MET B 84 0.944 6.516 -6.317 1.00 1.26 C ATOM 0 H MET B 84 1.793 6.366 -1.422 1.00 0.37 H new ATOM 0 HA MET B 84 4.355 7.676 -1.552 1.00 0.43 H new ATOM 0 HB2 MET B 84 4.492 6.768 -3.768 1.00 0.64 H new ATOM 0 HB3 MET B 84 3.992 5.534 -2.630 1.00 0.64 H new ATOM 0 HG2 MET B 84 2.584 5.061 -4.371 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.565 6.155 -3.457 1.00 0.44 H new ATOM 0 HE1 MET B 84 1.064 6.649 -7.392 1.00 1.26 H new ATOM 0 HE2 MET B 84 0.852 5.454 -6.091 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.046 7.037 -5.985 1.00 1.26 H new ATOM 2979 N MET B 85 1.745 9.151 -2.853 1.00 0.33 N ATOM 2980 CA MET B 85 1.326 10.463 -3.352 1.00 0.35 C ATOM 2981 C MET B 85 1.704 11.530 -2.331 1.00 0.35 C ATOM 2982 O MET B 85 2.087 12.647 -2.685 1.00 0.42 O ATOM 2983 CB MET B 85 -0.184 10.517 -3.649 1.00 0.39 C ATOM 2984 CG MET B 85 -1.039 10.750 -2.423 1.00 1.36 C ATOM 2985 SD MET B 85 -2.759 11.141 -2.806 1.00 2.66 S ATOM 2986 CE MET B 85 -2.578 12.730 -3.615 1.00 3.35 C ATOM 0 H MET B 85 0.982 8.506 -2.648 1.00 0.33 H new ATOM 0 HA MET B 85 1.841 10.648 -4.295 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.375 11.312 -4.370 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.486 9.581 -4.119 1.00 0.39 H new ATOM 0 HG2 MET B 85 -1.009 9.860 -1.795 1.00 1.36 H new ATOM 0 HG3 MET B 85 -0.610 11.566 -1.841 1.00 1.36 H new ATOM 0 HE1 MET B 85 -3.525 13.268 -3.577 1.00 3.35 H new ATOM 0 HE2 MET B 85 -1.810 13.312 -3.106 1.00 3.35 H new ATOM 0 HE3 MET B 85 -2.289 12.578 -4.655 1.00 3.35 H new ATOM 2996 N SER B 86 1.618 11.163 -1.058 1.00 0.33 N ATOM 2997 CA SER B 86 1.993 12.051 0.023 1.00 0.39 C ATOM 2998 C SER B 86 3.506 12.254 0.046 1.00 0.43 C ATOM 2999 O SER B 86 3.997 13.308 0.446 1.00 0.57 O ATOM 3000 CB SER B 86 1.502 11.480 1.354 1.00 0.43 C ATOM 3001 OG SER B 86 0.099 11.272 1.327 1.00 1.25 O ATOM 0 H SER B 86 1.288 10.247 -0.753 1.00 0.33 H new ATOM 0 HA SER B 86 1.525 13.023 -0.135 1.00 0.39 H new ATOM 0 HB2 SER B 86 2.010 10.538 1.560 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.757 12.163 2.164 1.00 0.43 H new ATOM 0 HG SER B 86 -0.107 10.502 0.757 1.00 1.25 H new ATOM 3007 N ASN B 87 4.245 11.249 -0.411 1.00 0.40 N ATOM 3008 CA ASN B 87 5.698 11.325 -0.420 1.00 0.51 C ATOM 3009 C ASN B 87 6.201 12.084 -1.640 1.00 0.44 C ATOM 3010 O ASN B 87 7.165 12.840 -1.550 1.00 0.53 O ATOM 3011 CB ASN B 87 6.321 9.943 -0.421 1.00 0.69 C ATOM 3012 CG ASN B 87 7.776 9.978 0.014 1.00 1.43 C ATOM 3013 OD1 ASN B 87 8.103 9.638 1.146 1.00 2.36 O ATOM 3014 ND2 ASN B 87 8.649 10.449 -0.859 1.00 1.49 N ATOM 0 H ASN B 87 3.863 10.377 -0.778 1.00 0.40 H new ATOM 0 HA ASN B 87 5.991 11.855 0.486 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.758 9.290 0.246 1.00 0.69 H new ATOM 0 HB3 ASN B 87 6.251 9.514 -1.420 1.00 0.69 H new ATOM 0 HD21 ASN B 87 9.631 10.540 -0.600 1.00 1.49 H new ATOM 0 HD22 ASN B 87 8.341 10.722 -1.792 1.00 1.49 H new ATOM 3021 N GLU B 88 5.578 11.855 -2.788 1.00 0.37 N ATOM 3022 CA GLU B 88 5.930 12.590 -3.998 1.00 0.42 C ATOM 3023 C GLU B 88 5.664 14.075 -3.790 1.00 0.51 C ATOM 3024 O GLU B 88 6.291 14.933 -4.404 1.00 0.66 O ATOM 3025 CB GLU B 88 5.140 12.078 -5.199 1.00 0.48 C ATOM 3026 CG GLU B 88 5.263 10.583 -5.427 1.00 0.51 C ATOM 3027 CD GLU B 88 4.561 10.146 -6.690 1.00 0.91 C ATOM 3028 OE1 GLU B 88 3.329 10.324 -6.789 1.00 1.74 O ATOM 3029 OE2 GLU B 88 5.245 9.648 -7.604 1.00 1.49 O ATOM 0 H GLU B 88 4.831 11.171 -2.908 1.00 0.37 H new ATOM 0 HA GLU B 88 6.990 12.436 -4.201 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.088 12.329 -5.063 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.479 12.601 -6.093 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.317 10.310 -5.484 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.842 10.050 -4.575 1.00 0.51 H new ATOM 3036 N PHE B 89 4.723 14.364 -2.909 1.00 0.50 N ATOM 3037 CA PHE B 89 4.440 15.730 -2.510 1.00 0.63 C ATOM 3038 C PHE B 89 5.328 16.136 -1.337 1.00 0.66 C ATOM 3039 O PHE B 89 5.516 17.322 -1.066 1.00 0.79 O ATOM 3040 CB PHE B 89 2.958 15.858 -2.150 1.00 0.73 C ATOM 3041 CG PHE B 89 2.513 17.255 -1.829 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.399 18.205 -2.829 1.00 1.70 C ATOM 3043 CD2 PHE B 89 2.207 17.616 -0.527 1.00 2.16 C ATOM 3044 CE1 PHE B 89 1.987 19.490 -2.538 1.00 2.37 C ATOM 3045 CE2 PHE B 89 1.794 18.900 -0.230 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.684 19.837 -1.238 1.00 2.70 C ATOM 0 H PHE B 89 4.138 13.664 -2.453 1.00 0.50 H new ATOM 0 HA PHE B 89 4.658 16.403 -3.339 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.362 15.482 -2.981 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.749 15.218 -1.293 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.635 17.938 -3.849 1.00 1.70 H new ATOM 0 HD2 PHE B 89 2.292 16.886 0.264 1.00 2.16 H new ATOM 0 HE1 PHE B 89 1.902 20.222 -3.327 1.00 2.37 H new ATOM 0 HE2 PHE B 89 1.558 19.170 0.789 1.00 2.79 H new ATOM 0 HZ PHE B 89 1.361 20.842 -1.009 1.00 2.70 H new ATOM 3056 N PHE B 90 5.890 15.147 -0.656 1.00 0.60 N ATOM 3057 CA PHE B 90 6.812 15.404 0.438 1.00 0.68 C ATOM 3058 C PHE B 90 8.133 15.911 -0.123 1.00 0.68 C ATOM 3059 O PHE B 90 8.841 16.691 0.517 1.00 0.79 O ATOM 3060 CB PHE B 90 7.026 14.127 1.260 1.00 0.70 C ATOM 3061 CG PHE B 90 7.923 14.298 2.453 1.00 0.85 C ATOM 3062 CD1 PHE B 90 7.440 14.860 3.624 1.00 1.53 C ATOM 3063 CD2 PHE B 90 9.246 13.887 2.406 1.00 1.46 C ATOM 3064 CE1 PHE B 90 8.262 15.011 4.725 1.00 1.64 C ATOM 3065 CE2 PHE B 90 10.071 14.036 3.503 1.00 1.59 C ATOM 3066 CZ PHE B 90 9.578 14.599 4.664 1.00 1.21 C ATOM 0 H PHE B 90 5.722 14.158 -0.843 1.00 0.60 H new ATOM 0 HA PHE B 90 6.392 16.165 1.096 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.057 13.762 1.599 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.447 13.359 0.612 1.00 0.70 H new ATOM 0 HD1 PHE B 90 6.411 15.183 3.677 1.00 1.53 H new ATOM 0 HD2 PHE B 90 9.636 13.445 1.501 1.00 1.46 H new ATOM 0 HE1 PHE B 90 7.875 15.451 5.632 1.00 1.64 H new ATOM 0 HE2 PHE B 90 11.100 13.713 3.453 1.00 1.59 H new ATOM 0 HZ PHE B 90 10.222 14.717 5.523 1.00 1.21 H new ATOM 3076 N GLU B 91 8.460 15.462 -1.329 1.00 0.61 N ATOM 3077 CA GLU B 91 9.654 15.925 -2.009 1.00 0.72 C ATOM 3078 C GLU B 91 9.364 17.209 -2.787 1.00 0.77 C ATOM 3079 O GLU B 91 10.271 17.981 -3.099 1.00 0.95 O ATOM 3080 CB GLU B 91 10.203 14.838 -2.933 1.00 0.82 C ATOM 3081 CG GLU B 91 9.262 14.508 -4.063 1.00 0.92 C ATOM 3082 CD GLU B 91 9.649 13.267 -4.841 1.00 1.57 C ATOM 3083 OE1 GLU B 91 10.756 13.237 -5.419 1.00 2.25 O ATOM 3084 OE2 GLU B 91 8.830 12.326 -4.900 1.00 2.22 O ATOM 0 H GLU B 91 7.913 14.778 -1.852 1.00 0.61 H new ATOM 0 HA GLU B 91 10.414 16.147 -1.260 1.00 0.72 H new ATOM 0 HB2 GLU B 91 11.158 15.164 -3.344 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.397 13.936 -2.352 1.00 0.82 H new ATOM 0 HG2 GLU B 91 8.258 14.374 -3.660 1.00 0.92 H new ATOM 0 HG3 GLU B 91 9.220 15.356 -4.747 1.00 0.92 H new ATOM 3091 N GLY B 92 8.092 17.433 -3.086 1.00 0.71 N ATOM 3092 CA GLY B 92 7.684 18.633 -3.796 1.00 0.82 C ATOM 3093 C GLY B 92 7.273 18.330 -5.219 1.00 0.81 C ATOM 3094 O GLY B 92 6.374 18.966 -5.774 1.00 0.91 O ATOM 0 H GLY B 92 7.328 16.800 -2.848 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.853 19.102 -3.270 1.00 0.82 H new ATOM 0 HA3 GLY B 92 8.505 19.350 -3.799 1.00 0.82 H new ATOM 3098 N PHE B 93 7.939 17.349 -5.800 1.00 0.76 N ATOM 3099 CA PHE B 93 7.651 16.881 -7.143 1.00 0.78 C ATOM 3100 C PHE B 93 8.364 15.558 -7.337 1.00 0.69 C ATOM 3101 O PHE B 93 9.550 15.463 -7.039 1.00 0.82 O ATOM 3102 CB PHE B 93 8.124 17.893 -8.195 1.00 1.00 C ATOM 3103 CG PHE B 93 7.765 17.511 -9.604 1.00 1.67 C ATOM 3104 CD1 PHE B 93 6.544 17.876 -10.143 1.00 2.41 C ATOM 3105 CD2 PHE B 93 8.646 16.780 -10.387 1.00 2.58 C ATOM 3106 CE1 PHE B 93 6.207 17.521 -11.437 1.00 3.46 C ATOM 3107 CE2 PHE B 93 8.314 16.423 -11.679 1.00 3.59 C ATOM 3108 CZ PHE B 93 7.093 16.794 -12.205 1.00 3.90 C ATOM 0 H PHE B 93 8.704 16.849 -5.347 1.00 0.76 H new ATOM 0 HA PHE B 93 6.575 16.761 -7.266 1.00 0.78 H new ATOM 0 HB2 PHE B 93 7.690 18.867 -7.970 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.206 18.001 -8.122 1.00 1.00 H new ATOM 0 HD1 PHE B 93 5.846 18.445 -9.547 1.00 2.41 H new ATOM 0 HD2 PHE B 93 9.603 16.487 -9.981 1.00 2.58 H new ATOM 0 HE1 PHE B 93 5.251 17.813 -11.846 1.00 3.46 H new ATOM 0 HE2 PHE B 93 9.010 15.854 -12.278 1.00 3.59 H new ATOM 0 HZ PHE B 93 6.832 16.516 -13.215 1.00 3.90 H new ATOM 3118 N PRO B 94 7.655 14.519 -7.808 1.00 0.64 N ATOM 3119 CA PRO B 94 8.222 13.174 -7.948 1.00 0.61 C ATOM 3120 C PRO B 94 9.424 13.132 -8.885 1.00 0.71 C ATOM 3121 O PRO B 94 9.288 12.904 -10.086 1.00 0.90 O ATOM 3122 CB PRO B 94 7.069 12.346 -8.518 1.00 0.65 C ATOM 3123 CG PRO B 94 6.114 13.335 -9.088 1.00 0.84 C ATOM 3124 CD PRO B 94 6.250 14.569 -8.244 1.00 0.83 C ATOM 0 HA PRO B 94 8.598 12.802 -6.995 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.423 11.655 -9.284 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.595 11.746 -7.741 1.00 0.65 H new ATOM 0 HG2 PRO B 94 6.347 13.547 -10.131 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.093 12.953 -9.061 1.00 0.84 H new ATOM 0 HD2 PRO B 94 6.036 15.473 -8.814 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.564 14.556 -7.397 1.00 0.83 H new ATOM 3132 N ASP B 95 10.603 13.334 -8.318 1.00 0.71 N ATOM 3133 CA ASP B 95 11.833 13.368 -9.098 1.00 0.87 C ATOM 3134 C ASP B 95 12.628 12.092 -8.904 1.00 0.84 C ATOM 3135 O ASP B 95 13.677 11.897 -9.517 1.00 0.96 O ATOM 3136 CB ASP B 95 12.691 14.577 -8.727 1.00 1.12 C ATOM 3137 CG ASP B 95 12.208 15.865 -9.366 1.00 1.70 C ATOM 3138 OD1 ASP B 95 12.174 15.936 -10.614 1.00 2.16 O ATOM 3139 OD2 ASP B 95 11.900 16.826 -8.629 1.00 2.40 O ATOM 0 H ASP B 95 10.736 13.478 -7.317 1.00 0.71 H new ATOM 0 HA ASP B 95 11.553 13.454 -10.148 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.694 14.694 -7.643 1.00 1.12 H new ATOM 0 HB3 ASP B 95 13.721 14.391 -9.031 1.00 1.12 H new ATOM 3144 N LYS B 96 12.112 11.221 -8.057 1.00 0.81 N ATOM 3145 CA LYS B 96 12.728 9.925 -7.825 1.00 0.86 C ATOM 3146 C LYS B 96 12.123 8.910 -8.777 1.00 0.83 C ATOM 3147 O LYS B 96 12.521 7.745 -8.823 1.00 0.94 O ATOM 3148 CB LYS B 96 12.529 9.497 -6.369 1.00 0.97 C ATOM 3149 CG LYS B 96 11.183 9.906 -5.800 1.00 0.93 C ATOM 3150 CD LYS B 96 10.965 9.330 -4.411 1.00 0.65 C ATOM 3151 CE LYS B 96 9.707 9.883 -3.779 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.516 9.581 -4.611 1.00 1.85 N ATOM 0 H LYS B 96 11.264 11.387 -7.515 1.00 0.81 H new ATOM 0 HA LYS B 96 13.800 9.989 -8.010 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.631 8.414 -6.299 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.321 9.932 -5.759 1.00 0.97 H new ATOM 0 HG2 LYS B 96 11.120 10.993 -5.758 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.388 9.567 -6.464 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.897 8.244 -4.472 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.823 9.561 -3.780 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.578 9.456 -2.784 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.803 10.961 -3.653 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 7.664 9.589 -4.014 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.422 10.300 -5.357 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 8.625 8.643 -5.046 1.00 1.85 H new