USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 57 LYS NZ :NH3+ 163:sc= 0.613 (180deg=-0.0826) USER MOD Set 1.2: A 71 TYR OH : rot -103:sc= 1.85 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0828 X(o=-0.083,f=-0.18) USER MOD Single : A 39 LYS NZ :NH3+ -145:sc=-0.00228 (180deg=-0.137) USER MOD Single : A 42 HIS : no HE2:sc= -12.2! C(o=-12!,f=-23!) USER MOD Single : A 45 CYS SG : rot 70:sc= -3.84! USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.185 (180deg=-0.426) USER MOD Single : A 48 HIS : no HE2:sc= -3.05! C(o=-3.1!,f=-8.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 165:sc= -16! (180deg=-16.9!) USER MOD Single : A 55 MET CE :methyl -130:sc= -4.22! (180deg=-9.27!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 67:sc= 0.272 USER MOD Single : A 62 MET CE :methyl -155:sc= -2.97 (180deg=-5.34!) USER MOD Single : A 65 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.1!) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.29 F(o=-6.6!,f=-2.3) USER MOD Single : A 72 SER OG : rot 143:sc= -9.46! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -25.5! C(o=-26!,f=-35!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 128:sc= 0.198 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -145:sc= -0.773 (180deg=-5.63!) USER MOD Single : A 95 GLN : amide:sc= -2 K(o=-2,f=-4.1!) USER MOD Single : A 104 SER OG : rot 78:sc= -1.38 USER MOD Single : A 106 MET CE :methyl -117:sc= -3.8! (180deg=-6.52!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -85:sc= -0.485! USER MOD Single : A 119 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.07) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -12.4! C(o=-12!,f=-13!) USER MOD Single : A 126 MET CE :methyl -125:sc= -20.4! (180deg=-23.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 95.196 -7.263 4.385 1.00 0.00 N ATOM 2 CA GLY A 28 94.156 -6.296 4.836 1.00 0.00 C ATOM 3 C GLY A 28 94.109 -6.274 6.365 1.00 0.00 C ATOM 4 O GLY A 28 93.054 -6.197 6.962 1.00 0.00 O ATOM 0 HA2 GLY A 28 94.380 -5.300 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 28 93.183 -6.579 4.436 1.00 0.00 H new ATOM 10 N SER A 29 95.245 -6.341 7.004 1.00 0.00 N ATOM 11 CA SER A 29 95.263 -6.323 8.495 1.00 0.00 C ATOM 12 C SER A 29 94.238 -7.318 9.047 1.00 0.00 C ATOM 13 O SER A 29 93.189 -6.940 9.530 1.00 0.00 O ATOM 14 CB SER A 29 94.883 -4.892 8.880 1.00 0.00 C ATOM 15 OG SER A 29 96.053 -4.089 8.926 1.00 0.00 O ATOM 0 H SER A 29 96.160 -6.407 6.559 1.00 0.00 H new ATOM 0 HA SER A 29 96.234 -6.609 8.900 1.00 0.00 H new ATOM 0 HB2 SER A 29 94.177 -4.484 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 29 94.385 -4.885 9.850 1.00 0.00 H new ATOM 0 HG SER A 29 95.811 -3.172 9.171 1.00 0.00 H new ATOM 21 N GLY A 30 94.534 -8.587 8.979 1.00 0.00 N ATOM 22 CA GLY A 30 93.578 -9.604 9.500 1.00 0.00 C ATOM 23 C GLY A 30 93.815 -10.940 8.786 1.00 0.00 C ATOM 24 O GLY A 30 93.064 -11.311 7.906 1.00 0.00 O ATOM 0 H GLY A 30 95.396 -8.963 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 30 93.710 -9.726 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 30 92.553 -9.271 9.340 1.00 0.00 H new ATOM 28 N PRO A 31 94.858 -11.626 9.188 1.00 0.00 N ATOM 29 CA PRO A 31 95.194 -12.933 8.577 1.00 0.00 C ATOM 30 C PRO A 31 94.066 -13.942 8.812 1.00 0.00 C ATOM 31 O PRO A 31 92.959 -13.580 9.159 1.00 0.00 O ATOM 32 CB PRO A 31 96.464 -13.341 9.328 1.00 0.00 C ATOM 33 CG PRO A 31 96.809 -12.241 10.353 1.00 0.00 C ATOM 34 CD PRO A 31 95.748 -11.135 10.267 1.00 0.00 C ATOM 0 HA PRO A 31 95.331 -12.889 7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 31 96.314 -14.295 9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 31 97.289 -13.478 8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 31 96.838 -12.659 11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 31 97.798 -11.832 10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 31 95.214 -11.012 11.209 1.00 0.00 H new ATOM 0 HD3 PRO A 31 96.188 -10.169 10.021 1.00 0.00 H new ATOM 42 N LYS A 32 94.338 -15.205 8.627 1.00 0.00 N ATOM 43 CA LYS A 32 93.280 -16.235 8.839 1.00 0.00 C ATOM 44 C LYS A 32 92.145 -16.041 7.832 1.00 0.00 C ATOM 45 O LYS A 32 91.482 -15.023 7.816 1.00 0.00 O ATOM 46 CB LYS A 32 92.779 -15.997 10.264 1.00 0.00 C ATOM 47 CG LYS A 32 92.536 -17.343 10.951 1.00 0.00 C ATOM 48 CD LYS A 32 91.455 -18.115 10.191 1.00 0.00 C ATOM 49 CE LYS A 32 90.415 -18.641 11.181 1.00 0.00 C ATOM 50 NZ LYS A 32 89.565 -19.570 10.382 1.00 0.00 N ATOM 0 H LYS A 32 95.246 -15.569 8.338 1.00 0.00 H new ATOM 0 HA LYS A 32 93.656 -17.249 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 32 93.511 -15.417 10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 32 91.858 -15.415 10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 32 93.460 -17.921 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.227 -17.186 11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.978 -17.466 9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.902 -18.944 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 32 90.889 -19.157 12.016 1.00 0.00 H new ATOM 0 HE3 LYS A 32 89.824 -17.828 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 88.825 -19.974 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 89.122 -19.048 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 90.154 -20.336 9.998 1.00 0.00 H new ATOM 64 N GLY A 33 91.914 -17.011 6.989 1.00 0.00 N ATOM 65 CA GLY A 33 90.822 -16.881 5.985 1.00 0.00 C ATOM 66 C GLY A 33 91.071 -17.853 4.829 1.00 0.00 C ATOM 67 O GLY A 33 91.233 -19.041 5.029 1.00 0.00 O ATOM 0 H GLY A 33 92.435 -17.887 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 33 89.859 -17.092 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 33 90.778 -15.858 5.611 1.00 0.00 H new ATOM 71 N GLY A 34 91.103 -17.359 3.623 1.00 0.00 N ATOM 72 CA GLY A 34 91.341 -18.255 2.456 1.00 0.00 C ATOM 73 C GLY A 34 90.004 -18.587 1.790 1.00 0.00 C ATOM 74 O GLY A 34 89.848 -19.622 1.172 1.00 0.00 O ATOM 0 H GLY A 34 90.975 -16.373 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 34 92.006 -17.770 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 34 91.835 -19.170 2.781 1.00 0.00 H new ATOM 78 N GLY A 35 89.039 -17.718 1.912 1.00 0.00 N ATOM 79 CA GLY A 35 87.713 -17.984 1.286 1.00 0.00 C ATOM 80 C GLY A 35 86.745 -16.859 1.642 1.00 0.00 C ATOM 81 O GLY A 35 86.993 -16.066 2.529 1.00 0.00 O ATOM 0 H GLY A 35 89.111 -16.835 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.819 -18.058 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.320 -18.939 1.634 1.00 0.00 H new ATOM 85 N ASN A 36 85.644 -16.778 0.949 1.00 0.00 N ATOM 86 CA ASN A 36 84.660 -15.702 1.234 1.00 0.00 C ATOM 87 C ASN A 36 85.337 -14.338 1.149 1.00 0.00 C ATOM 88 O ASN A 36 85.940 -13.864 2.091 1.00 0.00 O ATOM 89 CB ASN A 36 84.166 -15.957 2.649 1.00 0.00 C ATOM 90 CG ASN A 36 83.806 -17.435 2.810 1.00 0.00 C ATOM 91 OD1 ASN A 36 83.157 -18.011 1.958 1.00 0.00 O ATOM 92 ND2 ASN A 36 84.202 -18.079 3.874 1.00 0.00 N ATOM 0 H ASN A 36 85.384 -17.414 0.195 1.00 0.00 H new ATOM 0 HA ASN A 36 83.839 -15.704 0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.936 -15.680 3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 36 83.295 -15.336 2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 36 83.967 -19.065 3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 36 84.746 -17.597 4.589 1.00 0.00 H new ATOM 99 N ALA A 37 85.231 -13.709 0.022 1.00 0.00 N ATOM 100 CA ALA A 37 85.853 -12.368 -0.158 1.00 0.00 C ATOM 101 C ALA A 37 85.005 -11.536 -1.119 1.00 0.00 C ATOM 102 O ALA A 37 84.381 -12.066 -2.007 1.00 0.00 O ATOM 103 CB ALA A 37 87.233 -12.644 -0.756 1.00 0.00 C ATOM 0 H ALA A 37 84.735 -14.066 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 37 85.926 -11.811 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.755 -11.701 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.810 -13.264 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.120 -13.164 -1.707 1.00 0.00 H new ATOM 109 N VAL A 38 84.959 -10.246 -0.927 1.00 0.00 N ATOM 110 CA VAL A 38 84.144 -9.361 -1.820 1.00 0.00 C ATOM 111 C VAL A 38 84.781 -7.966 -1.875 1.00 0.00 C ATOM 112 O VAL A 38 85.408 -7.552 -0.918 1.00 0.00 O ATOM 113 CB VAL A 38 82.770 -9.300 -1.156 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.225 -10.718 -0.979 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.897 -8.628 0.214 1.00 0.00 C ATOM 0 H VAL A 38 85.456 -9.758 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 38 84.083 -9.730 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 38 82.088 -8.725 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.244 -10.674 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.136 -11.198 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.906 -11.294 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.917 -8.583 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.578 -9.204 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.286 -7.617 0.089 1.00 0.00 H new ATOM 125 N LYS A 39 84.647 -7.208 -2.948 1.00 0.00 N ATOM 126 CA LYS A 39 85.282 -5.867 -2.916 1.00 0.00 C ATOM 127 C LYS A 39 84.291 -4.867 -2.319 1.00 0.00 C ATOM 128 O LYS A 39 83.304 -4.510 -2.932 1.00 0.00 O ATOM 129 CB LYS A 39 85.550 -5.536 -4.370 1.00 0.00 C ATOM 130 CG LYS A 39 86.649 -4.482 -4.462 1.00 0.00 C ATOM 131 CD LYS A 39 87.877 -4.990 -3.712 1.00 0.00 C ATOM 132 CE LYS A 39 89.105 -4.892 -4.619 1.00 0.00 C ATOM 133 NZ LYS A 39 88.947 -6.004 -5.599 1.00 0.00 N ATOM 0 H LYS A 39 84.147 -7.455 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 39 86.193 -5.835 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.849 -6.435 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.640 -5.169 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 39 86.898 -4.285 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.307 -3.540 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 39 88.032 -4.403 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.724 -6.023 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.149 -3.926 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 39 90.027 -4.997 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.882 -6.394 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.355 -6.751 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.494 -5.644 -6.463 1.00 0.00 H new ATOM 147 N VAL A 40 84.532 -4.447 -1.105 1.00 0.00 N ATOM 148 CA VAL A 40 83.586 -3.510 -0.438 1.00 0.00 C ATOM 149 C VAL A 40 84.122 -2.075 -0.387 1.00 0.00 C ATOM 150 O VAL A 40 85.305 -1.831 -0.259 1.00 0.00 O ATOM 151 CB VAL A 40 83.432 -4.064 0.978 1.00 0.00 C ATOM 152 CG1 VAL A 40 82.663 -5.385 0.928 1.00 0.00 C ATOM 153 CG2 VAL A 40 84.813 -4.302 1.594 1.00 0.00 C ATOM 0 H VAL A 40 85.344 -4.713 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 40 82.644 -3.451 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 40 82.885 -3.345 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 40 82.553 -5.780 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 40 81.677 -5.216 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.210 -6.102 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 40 84.698 -4.697 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 40 85.365 -5.018 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 40 85.361 -3.361 1.633 1.00 0.00 H new ATOM 163 N ARG A 41 83.224 -1.131 -0.458 1.00 0.00 N ATOM 164 CA ARG A 41 83.594 0.314 -0.389 1.00 0.00 C ATOM 165 C ARG A 41 82.550 1.005 0.495 1.00 0.00 C ATOM 166 O ARG A 41 81.425 0.551 0.571 1.00 0.00 O ATOM 167 CB ARG A 41 83.519 0.808 -1.834 1.00 0.00 C ATOM 168 CG ARG A 41 84.450 -0.038 -2.708 1.00 0.00 C ATOM 169 CD ARG A 41 84.832 0.749 -3.965 1.00 0.00 C ATOM 170 NE ARG A 41 84.496 -0.150 -5.104 1.00 0.00 N ATOM 171 CZ ARG A 41 85.195 -1.232 -5.310 1.00 0.00 C ATOM 172 NH1 ARG A 41 86.498 -1.180 -5.304 1.00 0.00 N ATOM 173 NH2 ARG A 41 84.590 -2.367 -5.527 1.00 0.00 N ATOM 0 H ARG A 41 82.224 -1.304 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 41 84.581 0.510 0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.495 0.739 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.807 1.858 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.346 -0.306 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.957 -0.970 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 41 84.279 1.686 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.892 1.004 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 41 83.719 0.080 -5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 41 86.972 -0.292 -5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 41 87.043 -2.027 -5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 41 83.571 -2.408 -5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 41 85.136 -3.213 -5.688 1.00 0.00 H new ATOM 187 N HIS A 42 82.877 2.057 1.204 1.00 0.00 N ATOM 188 CA HIS A 42 81.816 2.645 2.084 1.00 0.00 C ATOM 189 C HIS A 42 81.925 4.164 2.277 1.00 0.00 C ATOM 190 O HIS A 42 82.971 4.708 2.567 1.00 0.00 O ATOM 191 CB HIS A 42 81.957 1.954 3.453 1.00 0.00 C ATOM 192 CG HIS A 42 82.990 0.854 3.415 1.00 0.00 C ATOM 193 ND1 HIS A 42 82.669 -0.453 3.082 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.342 0.857 3.660 1.00 0.00 C ATOM 195 CE1 HIS A 42 83.803 -1.175 3.136 1.00 0.00 C ATOM 196 NE2 HIS A 42 84.852 -0.426 3.484 1.00 0.00 N ATOM 0 H HIS A 42 83.787 2.518 1.216 1.00 0.00 H new ATOM 0 HA HIS A 42 80.849 2.480 1.609 1.00 0.00 H new ATOM 0 HB2 HIS A 42 82.236 2.691 4.206 1.00 0.00 H new ATOM 0 HB3 HIS A 42 80.994 1.540 3.753 1.00 0.00 H new ATOM 0 HD1 HIS A 42 81.742 -0.803 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 42 84.921 1.723 3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 42 83.858 -2.232 2.924 1.00 0.00 H new ATOM 204 N ILE A 43 80.801 4.825 2.160 1.00 0.00 N ATOM 205 CA ILE A 43 80.717 6.301 2.375 1.00 0.00 C ATOM 206 C ILE A 43 79.588 6.581 3.387 1.00 0.00 C ATOM 207 O ILE A 43 78.429 6.372 3.089 1.00 0.00 O ATOM 208 CB ILE A 43 80.343 6.874 1.009 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.428 6.533 -0.012 1.00 0.00 C ATOM 210 CG2 ILE A 43 80.188 8.394 1.104 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.057 7.154 -1.356 1.00 0.00 C ATOM 0 H ILE A 43 79.912 4.388 1.917 1.00 0.00 H new ATOM 0 HA ILE A 43 81.641 6.734 2.758 1.00 0.00 H new ATOM 0 HB ILE A 43 79.397 6.436 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.394 6.911 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.526 5.452 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.921 8.794 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 43 79.404 8.636 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 43 81.129 8.836 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.826 6.916 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.099 6.754 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.981 8.236 -1.248 1.00 0.00 H new ATOM 223 N LEU A 44 79.897 7.024 4.583 1.00 0.00 N ATOM 224 CA LEU A 44 78.815 7.273 5.582 1.00 0.00 C ATOM 225 C LEU A 44 78.706 8.771 5.907 1.00 0.00 C ATOM 226 O LEU A 44 79.673 9.490 5.876 1.00 0.00 O ATOM 227 CB LEU A 44 79.267 6.465 6.814 1.00 0.00 C ATOM 228 CG LEU A 44 79.037 7.262 8.103 1.00 0.00 C ATOM 229 CD1 LEU A 44 77.542 7.528 8.285 1.00 0.00 C ATOM 230 CD2 LEU A 44 79.553 6.470 9.303 1.00 0.00 C ATOM 0 H LEU A 44 80.844 7.222 4.906 1.00 0.00 H new ATOM 0 HA LEU A 44 77.828 6.977 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 44 78.717 5.525 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.323 6.212 6.721 1.00 0.00 H new ATOM 0 HG LEU A 44 79.573 8.208 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 44 77.382 8.095 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.168 8.100 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.009 6.579 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 44 79.386 7.042 10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.022 5.521 9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.620 6.281 9.183 1.00 0.00 H new ATOM 242 N CYS A 45 77.538 9.243 6.244 1.00 0.00 N ATOM 243 CA CYS A 45 77.407 10.687 6.601 1.00 0.00 C ATOM 244 C CYS A 45 76.757 10.829 7.979 1.00 0.00 C ATOM 245 O CYS A 45 75.606 10.499 8.168 1.00 0.00 O ATOM 246 CB CYS A 45 76.517 11.308 5.528 1.00 0.00 C ATOM 247 SG CYS A 45 77.184 12.926 5.078 1.00 0.00 S ATOM 0 H CYS A 45 76.676 8.700 6.288 1.00 0.00 H new ATOM 0 HA CYS A 45 78.378 11.180 6.645 1.00 0.00 H new ATOM 0 HB2 CYS A 45 76.475 10.661 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.497 11.410 5.898 1.00 0.00 H new ATOM 0 HG CYS A 45 78.300 12.770 4.429 1.00 0.00 H new ATOM 253 N GLU A 46 77.488 11.314 8.944 1.00 0.00 N ATOM 254 CA GLU A 46 76.908 11.472 10.310 1.00 0.00 C ATOM 255 C GLU A 46 75.791 12.520 10.300 1.00 0.00 C ATOM 256 O GLU A 46 74.922 12.521 11.149 1.00 0.00 O ATOM 257 CB GLU A 46 78.071 11.941 11.182 1.00 0.00 C ATOM 258 CG GLU A 46 77.579 12.143 12.617 1.00 0.00 C ATOM 259 CD GLU A 46 78.533 11.440 13.583 1.00 0.00 C ATOM 260 OE1 GLU A 46 78.808 10.271 13.368 1.00 0.00 O ATOM 261 OE2 GLU A 46 78.970 12.081 14.524 1.00 0.00 O ATOM 0 H GLU A 46 78.460 11.608 8.848 1.00 0.00 H new ATOM 0 HA GLU A 46 76.467 10.545 10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.875 11.206 11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.481 12.873 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.527 13.207 12.849 1.00 0.00 H new ATOM 0 HG3 GLU A 46 76.571 11.743 12.728 1.00 0.00 H new ATOM 268 N LYS A 47 75.804 13.410 9.346 1.00 0.00 N ATOM 269 CA LYS A 47 74.740 14.454 9.284 1.00 0.00 C ATOM 270 C LYS A 47 73.734 14.103 8.186 1.00 0.00 C ATOM 271 O LYS A 47 72.716 14.750 8.033 1.00 0.00 O ATOM 272 CB LYS A 47 75.471 15.754 8.948 1.00 0.00 C ATOM 273 CG LYS A 47 76.330 15.549 7.698 1.00 0.00 C ATOM 274 CD LYS A 47 77.804 15.448 8.097 1.00 0.00 C ATOM 275 CE LYS A 47 78.189 16.659 8.949 1.00 0.00 C ATOM 276 NZ LYS A 47 78.560 16.087 10.274 1.00 0.00 N ATOM 0 H LYS A 47 76.505 13.460 8.607 1.00 0.00 H new ATOM 0 HA LYS A 47 74.184 14.536 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 74.751 16.555 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.097 16.059 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.021 14.643 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.186 16.379 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.978 14.528 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.430 15.404 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.022 17.206 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 47 77.359 17.360 9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 78.508 16.830 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.902 15.319 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.529 15.712 10.231 1.00 0.00 H new ATOM 290 N HIS A 48 74.014 13.082 7.423 1.00 0.00 N ATOM 291 CA HIS A 48 73.083 12.677 6.333 1.00 0.00 C ATOM 292 C HIS A 48 72.862 13.836 5.356 1.00 0.00 C ATOM 293 O HIS A 48 71.962 13.810 4.539 1.00 0.00 O ATOM 294 CB HIS A 48 71.783 12.299 7.042 1.00 0.00 C ATOM 295 CG HIS A 48 72.026 11.076 7.887 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.221 10.376 7.839 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.244 10.417 8.805 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.129 9.348 8.702 1.00 0.00 C ATOM 299 NE2 HIS A 48 71.943 9.327 9.318 1.00 0.00 N ATOM 0 H HIS A 48 74.853 12.508 7.509 1.00 0.00 H new ATOM 0 HA HIS A 48 73.475 11.849 5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.439 13.125 7.665 1.00 0.00 H new ATOM 0 HB3 HIS A 48 70.998 12.103 6.311 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.026 10.600 7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.241 10.701 9.086 1.00 0.00 H new ATOM 0 HE1 HIS A 48 73.916 8.629 8.876 1.00 0.00 H new ATOM 307 N GLY A 49 73.684 14.846 5.424 1.00 0.00 N ATOM 308 CA GLY A 49 73.532 15.999 4.491 1.00 0.00 C ATOM 309 C GLY A 49 74.223 15.660 3.168 1.00 0.00 C ATOM 310 O GLY A 49 73.787 16.056 2.105 1.00 0.00 O ATOM 0 H GLY A 49 74.456 14.923 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.476 16.210 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.971 16.897 4.926 1.00 0.00 H new ATOM 314 N LYS A 50 75.293 14.916 3.230 1.00 0.00 N ATOM 315 CA LYS A 50 76.017 14.531 1.983 1.00 0.00 C ATOM 316 C LYS A 50 75.791 13.054 1.694 1.00 0.00 C ATOM 317 O LYS A 50 75.981 12.601 0.586 1.00 0.00 O ATOM 318 CB LYS A 50 77.493 14.815 2.263 1.00 0.00 C ATOM 319 CG LYS A 50 77.641 16.236 2.809 1.00 0.00 C ATOM 320 CD LYS A 50 77.790 16.184 4.330 1.00 0.00 C ATOM 321 CE LYS A 50 79.246 15.883 4.691 1.00 0.00 C ATOM 322 NZ LYS A 50 79.788 17.178 5.190 1.00 0.00 N ATOM 0 H LYS A 50 75.699 14.556 4.094 1.00 0.00 H new ATOM 0 HA LYS A 50 75.668 15.085 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.884 14.095 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 50 78.076 14.702 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 50 78.511 16.719 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.771 16.834 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 50 77.485 17.134 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 50 77.136 15.417 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.313 15.106 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.804 15.528 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 80.785 17.056 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 79.717 17.896 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 79.241 17.487 6.019 1.00 0.00 H new ATOM 336 N ILE A 51 75.363 12.299 2.669 1.00 0.00 N ATOM 337 CA ILE A 51 75.105 10.859 2.407 1.00 0.00 C ATOM 338 C ILE A 51 74.294 10.759 1.112 1.00 0.00 C ATOM 339 O ILE A 51 74.430 9.827 0.344 1.00 0.00 O ATOM 340 CB ILE A 51 74.322 10.358 3.638 1.00 0.00 C ATOM 341 CG1 ILE A 51 74.876 8.999 4.077 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.825 10.222 3.328 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.380 7.904 3.134 1.00 0.00 C ATOM 0 H ILE A 51 75.183 12.613 3.623 1.00 0.00 H new ATOM 0 HA ILE A 51 76.004 10.257 2.273 1.00 0.00 H new ATOM 0 HB ILE A 51 74.441 11.088 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 51 75.966 9.024 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 51 74.562 8.781 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 51 72.301 9.867 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.425 11.192 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.685 9.510 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.778 6.941 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 51 73.291 7.871 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.716 8.118 2.119 1.00 0.00 H new ATOM 355 N MET A 52 73.468 11.742 0.861 1.00 0.00 N ATOM 356 CA MET A 52 72.665 11.746 -0.379 1.00 0.00 C ATOM 357 C MET A 52 73.532 12.172 -1.546 1.00 0.00 C ATOM 358 O MET A 52 73.614 11.495 -2.549 1.00 0.00 O ATOM 359 CB MET A 52 71.563 12.768 -0.134 1.00 0.00 C ATOM 360 CG MET A 52 70.293 12.300 -0.825 1.00 0.00 C ATOM 361 SD MET A 52 69.886 13.431 -2.181 1.00 0.00 S ATOM 362 CE MET A 52 71.506 13.424 -2.993 1.00 0.00 C ATOM 0 H MET A 52 73.320 12.545 1.473 1.00 0.00 H new ATOM 0 HA MET A 52 72.259 10.763 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 52 71.389 12.885 0.936 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.862 13.744 -0.517 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.428 11.289 -1.209 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.471 12.262 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.412 13.842 -3.995 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.206 14.026 -2.413 1.00 0.00 H new ATOM 0 HE3 MET A 52 71.875 12.401 -3.059 1.00 0.00 H new ATOM 372 N GLU A 53 74.216 13.263 -1.415 1.00 0.00 N ATOM 373 CA GLU A 53 75.110 13.676 -2.508 1.00 0.00 C ATOM 374 C GLU A 53 76.053 12.512 -2.708 1.00 0.00 C ATOM 375 O GLU A 53 76.494 12.220 -3.791 1.00 0.00 O ATOM 376 CB GLU A 53 75.855 14.915 -2.007 1.00 0.00 C ATOM 377 CG GLU A 53 75.849 15.993 -3.095 1.00 0.00 C ATOM 378 CD GLU A 53 76.385 17.305 -2.515 1.00 0.00 C ATOM 379 OE1 GLU A 53 77.066 17.247 -1.504 1.00 0.00 O ATOM 380 OE2 GLU A 53 76.106 18.343 -3.091 1.00 0.00 O ATOM 0 H GLU A 53 74.193 13.881 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 53 74.607 13.917 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.382 15.295 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.880 14.654 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.464 15.678 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.837 16.137 -3.474 1.00 0.00 H new ATOM 387 N ALA A 54 76.312 11.793 -1.657 1.00 0.00 N ATOM 388 CA ALA A 54 77.182 10.608 -1.813 1.00 0.00 C ATOM 389 C ALA A 54 76.498 9.699 -2.820 1.00 0.00 C ATOM 390 O ALA A 54 77.125 9.032 -3.618 1.00 0.00 O ATOM 391 CB ALA A 54 77.250 9.955 -0.434 1.00 0.00 C ATOM 0 H ALA A 54 75.965 11.972 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 54 78.189 10.835 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.882 9.068 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.670 10.661 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.247 9.669 -0.117 1.00 0.00 H new ATOM 397 N MET A 55 75.196 9.720 -2.809 1.00 0.00 N ATOM 398 CA MET A 55 74.423 8.899 -3.782 1.00 0.00 C ATOM 399 C MET A 55 74.345 9.650 -5.114 1.00 0.00 C ATOM 400 O MET A 55 74.609 9.101 -6.164 1.00 0.00 O ATOM 401 CB MET A 55 73.032 8.749 -3.164 1.00 0.00 C ATOM 402 CG MET A 55 72.926 7.388 -2.474 1.00 0.00 C ATOM 403 SD MET A 55 71.266 6.713 -2.732 1.00 0.00 S ATOM 404 CE MET A 55 70.899 6.345 -0.999 1.00 0.00 C ATOM 0 H MET A 55 74.630 10.273 -2.165 1.00 0.00 H new ATOM 0 HA MET A 55 74.878 7.927 -3.975 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.854 9.548 -2.445 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.268 8.838 -3.936 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.675 6.705 -2.875 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.127 7.491 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.538 5.320 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.804 6.462 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 55 70.134 7.031 -0.636 1.00 0.00 H new ATOM 414 N GLU A 56 73.996 10.910 -5.072 1.00 0.00 N ATOM 415 CA GLU A 56 73.914 11.705 -6.328 1.00 0.00 C ATOM 416 C GLU A 56 75.320 11.925 -6.891 1.00 0.00 C ATOM 417 O GLU A 56 75.631 11.491 -7.982 1.00 0.00 O ATOM 418 CB GLU A 56 73.282 13.034 -5.918 1.00 0.00 C ATOM 419 CG GLU A 56 71.778 12.994 -6.198 1.00 0.00 C ATOM 420 CD GLU A 56 71.146 11.819 -5.449 1.00 0.00 C ATOM 421 OE1 GLU A 56 71.635 10.711 -5.600 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.179 12.046 -4.739 1.00 0.00 O ATOM 0 H GLU A 56 73.765 11.421 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 56 73.331 11.206 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.460 13.222 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.743 13.853 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.315 13.929 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.600 12.894 -7.269 1.00 0.00 H new ATOM 429 N LYS A 57 76.178 12.589 -6.155 1.00 0.00 N ATOM 430 CA LYS A 57 77.558 12.818 -6.656 1.00 0.00 C ATOM 431 C LYS A 57 78.087 11.526 -7.289 1.00 0.00 C ATOM 432 O LYS A 57 78.376 11.477 -8.467 1.00 0.00 O ATOM 433 CB LYS A 57 78.393 13.212 -5.427 1.00 0.00 C ATOM 434 CG LYS A 57 79.269 14.414 -5.759 1.00 0.00 C ATOM 435 CD LYS A 57 79.269 15.408 -4.603 1.00 0.00 C ATOM 436 CE LYS A 57 79.904 16.722 -5.067 1.00 0.00 C ATOM 437 NZ LYS A 57 79.490 17.725 -4.049 1.00 0.00 N ATOM 0 H LYS A 57 75.978 12.979 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 57 77.601 13.597 -7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.735 13.450 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.015 12.373 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 57 80.288 14.084 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.904 14.899 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.250 15.584 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.824 15.001 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.989 16.639 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.555 17.000 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.099 18.565 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.501 18.000 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.580 17.313 -3.099 1.00 0.00 H new ATOM 451 N LEU A 58 78.209 10.480 -6.518 1.00 0.00 N ATOM 452 CA LEU A 58 78.711 9.195 -7.084 1.00 0.00 C ATOM 453 C LEU A 58 77.945 8.826 -8.360 1.00 0.00 C ATOM 454 O LEU A 58 78.511 8.329 -9.313 1.00 0.00 O ATOM 455 CB LEU A 58 78.435 8.162 -5.996 1.00 0.00 C ATOM 456 CG LEU A 58 79.324 8.441 -4.786 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.070 7.379 -3.717 1.00 0.00 C ATOM 458 CD2 LEU A 58 80.790 8.393 -5.212 1.00 0.00 C ATOM 0 H LEU A 58 77.984 10.459 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 58 79.765 9.253 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.385 8.198 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.626 7.159 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 58 79.095 9.427 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 58 79.703 7.575 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.023 7.410 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.302 6.394 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 58 81.426 8.592 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 58 81.020 7.406 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 58 80.971 9.147 -5.978 1.00 0.00 H new ATOM 470 N LYS A 59 76.659 9.051 -8.380 1.00 0.00 N ATOM 471 CA LYS A 59 75.854 8.698 -9.588 1.00 0.00 C ATOM 472 C LYS A 59 76.180 9.635 -10.752 1.00 0.00 C ATOM 473 O LYS A 59 76.869 9.266 -11.682 1.00 0.00 O ATOM 474 CB LYS A 59 74.396 8.874 -9.163 1.00 0.00 C ATOM 475 CG LYS A 59 73.737 7.501 -9.028 1.00 0.00 C ATOM 476 CD LYS A 59 72.243 7.677 -8.749 1.00 0.00 C ATOM 477 CE LYS A 59 71.445 7.300 -9.998 1.00 0.00 C ATOM 478 NZ LYS A 59 70.821 8.574 -10.454 1.00 0.00 N ATOM 0 H LYS A 59 76.129 9.464 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 59 76.066 7.685 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.344 9.409 -8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.861 9.475 -9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 59 73.882 6.925 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.205 6.939 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 59 71.942 7.051 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.033 8.709 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 59 72.092 6.879 -10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 59 70.689 6.549 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 70.256 8.397 -11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 70.206 8.947 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 71.565 9.268 -10.669 1.00 0.00 H new ATOM 492 N SER A 60 75.674 10.840 -10.704 1.00 0.00 N ATOM 493 CA SER A 60 75.927 11.826 -11.800 1.00 0.00 C ATOM 494 C SER A 60 77.327 11.641 -12.395 1.00 0.00 C ATOM 495 O SER A 60 77.546 11.858 -13.571 1.00 0.00 O ATOM 496 CB SER A 60 75.812 13.198 -11.130 1.00 0.00 C ATOM 497 OG SER A 60 75.438 13.037 -9.767 1.00 0.00 O ATOM 0 H SER A 60 75.089 11.188 -9.944 1.00 0.00 H new ATOM 0 HA SER A 60 75.223 11.704 -12.623 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.763 13.726 -11.196 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.073 13.807 -11.650 1.00 0.00 H new ATOM 0 HG SER A 60 76.165 12.597 -9.278 1.00 0.00 H new ATOM 503 N GLY A 61 78.275 11.244 -11.594 1.00 0.00 N ATOM 504 CA GLY A 61 79.657 11.049 -12.114 1.00 0.00 C ATOM 505 C GLY A 61 80.621 11.940 -11.330 1.00 0.00 C ATOM 506 O GLY A 61 81.792 12.033 -11.641 1.00 0.00 O ATOM 0 H GLY A 61 78.153 11.046 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.950 10.004 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.697 11.295 -13.175 1.00 0.00 H new ATOM 510 N MET A 62 80.137 12.590 -10.309 1.00 0.00 N ATOM 511 CA MET A 62 80.997 13.462 -9.495 1.00 0.00 C ATOM 512 C MET A 62 82.193 12.663 -8.980 1.00 0.00 C ATOM 513 O MET A 62 82.443 11.556 -9.412 1.00 0.00 O ATOM 514 CB MET A 62 80.070 13.888 -8.361 1.00 0.00 C ATOM 515 CG MET A 62 78.848 14.607 -8.964 1.00 0.00 C ATOM 516 SD MET A 62 79.407 15.930 -10.050 1.00 0.00 S ATOM 517 CE MET A 62 80.633 16.554 -8.891 1.00 0.00 C ATOM 0 H MET A 62 79.164 12.546 -10.007 1.00 0.00 H new ATOM 0 HA MET A 62 81.414 14.314 -10.032 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.751 13.018 -7.787 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.595 14.549 -7.672 1.00 0.00 H new ATOM 0 HG2 MET A 62 78.234 13.899 -9.521 1.00 0.00 H new ATOM 0 HG3 MET A 62 78.223 15.014 -8.169 1.00 0.00 H new ATOM 0 HE1 MET A 62 80.824 17.607 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 62 80.260 16.444 -7.873 1.00 0.00 H new ATOM 0 HE3 MET A 62 81.559 15.989 -9.002 1.00 0.00 H new ATOM 527 N ARG A 63 82.938 13.216 -8.075 1.00 0.00 N ATOM 528 CA ARG A 63 84.123 12.495 -7.543 1.00 0.00 C ATOM 529 C ARG A 63 83.710 11.330 -6.659 1.00 0.00 C ATOM 530 O ARG A 63 82.850 11.459 -5.812 1.00 0.00 O ATOM 531 CB ARG A 63 84.835 13.511 -6.672 1.00 0.00 C ATOM 532 CG ARG A 63 85.153 14.762 -7.471 1.00 0.00 C ATOM 533 CD ARG A 63 84.688 15.987 -6.676 1.00 0.00 C ATOM 534 NE ARG A 63 85.841 16.930 -6.712 1.00 0.00 N ATOM 535 CZ ARG A 63 85.643 18.209 -6.546 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.546 18.704 -5.342 1.00 0.00 N ATOM 537 NH2 ARG A 63 85.539 18.994 -7.585 1.00 0.00 N ATOM 0 H ARG A 63 82.779 14.141 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 63 84.733 12.099 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 63 84.210 13.767 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.755 13.080 -6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.224 14.823 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.654 14.729 -8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.799 16.433 -7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.430 15.718 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 63 86.785 16.576 -6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.625 18.091 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.391 19.704 -5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.613 18.607 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.384 19.994 -7.455 1.00 0.00 H new ATOM 551 N PHE A 64 84.348 10.212 -6.798 1.00 0.00 N ATOM 552 CA PHE A 64 84.023 9.086 -5.907 1.00 0.00 C ATOM 553 C PHE A 64 84.934 9.193 -4.689 1.00 0.00 C ATOM 554 O PHE A 64 84.563 8.846 -3.592 1.00 0.00 O ATOM 555 CB PHE A 64 84.327 7.823 -6.714 1.00 0.00 C ATOM 556 CG PHE A 64 83.309 7.670 -7.820 1.00 0.00 C ATOM 557 CD1 PHE A 64 83.411 8.451 -8.977 1.00 0.00 C ATOM 558 CD2 PHE A 64 82.268 6.744 -7.689 1.00 0.00 C ATOM 559 CE1 PHE A 64 82.470 8.307 -10.004 1.00 0.00 C ATOM 560 CE2 PHE A 64 81.327 6.600 -8.716 1.00 0.00 C ATOM 561 CZ PHE A 64 81.428 7.382 -9.873 1.00 0.00 C ATOM 0 H PHE A 64 85.077 10.032 -7.488 1.00 0.00 H new ATOM 0 HA PHE A 64 82.987 9.077 -5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.331 7.881 -7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.305 6.949 -6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 64 84.215 9.165 -9.078 1.00 0.00 H new ATOM 0 HD2 PHE A 64 82.190 6.141 -6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 64 82.548 8.910 -10.897 1.00 0.00 H new ATOM 0 HE2 PHE A 64 80.523 5.886 -8.616 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.702 7.271 -10.665 1.00 0.00 H new ATOM 571 N ASN A 65 86.130 9.693 -4.889 1.00 0.00 N ATOM 572 CA ASN A 65 87.090 9.831 -3.758 1.00 0.00 C ATOM 573 C ASN A 65 86.901 11.160 -3.025 1.00 0.00 C ATOM 574 O ASN A 65 87.074 11.232 -1.826 1.00 0.00 O ATOM 575 CB ASN A 65 88.472 9.774 -4.408 1.00 0.00 C ATOM 576 CG ASN A 65 89.548 9.831 -3.322 1.00 0.00 C ATOM 577 OD1 ASN A 65 89.252 9.711 -2.149 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.793 10.013 -3.664 1.00 0.00 N ATOM 0 H ASN A 65 86.480 10.012 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 65 86.946 9.049 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.575 8.858 -4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.595 10.607 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.518 10.055 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 65 91.042 10.114 -4.648 1.00 0.00 H new ATOM 585 N GLU A 66 86.538 12.211 -3.713 1.00 0.00 N ATOM 586 CA GLU A 66 86.341 13.501 -2.995 1.00 0.00 C ATOM 587 C GLU A 66 85.092 13.378 -2.139 1.00 0.00 C ATOM 588 O GLU A 66 85.094 13.710 -0.970 1.00 0.00 O ATOM 589 CB GLU A 66 86.173 14.573 -4.067 1.00 0.00 C ATOM 590 CG GLU A 66 87.330 14.488 -5.067 1.00 0.00 C ATOM 591 CD GLU A 66 88.561 15.180 -4.478 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.663 15.231 -3.264 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.380 15.648 -5.253 1.00 0.00 O ATOM 0 H GLU A 66 86.373 12.232 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 66 87.178 13.756 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.223 14.439 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.149 15.561 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.557 13.445 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.048 14.961 -6.008 1.00 0.00 H new ATOM 600 N VAL A 67 84.028 12.855 -2.691 1.00 0.00 N ATOM 601 CA VAL A 67 82.823 12.670 -1.864 1.00 0.00 C ATOM 602 C VAL A 67 83.155 11.593 -0.831 1.00 0.00 C ATOM 603 O VAL A 67 83.005 11.787 0.353 1.00 0.00 O ATOM 604 CB VAL A 67 81.701 12.203 -2.809 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.565 13.158 -3.991 1.00 0.00 C ATOM 606 CG2 VAL A 67 81.991 10.807 -3.332 1.00 0.00 C ATOM 0 H VAL A 67 83.951 12.556 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 67 82.508 13.578 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 67 80.770 12.192 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.767 12.812 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.327 14.157 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.504 13.188 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.187 10.494 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 67 82.934 10.812 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.060 10.112 -2.495 1.00 0.00 H new ATOM 616 N ALA A 68 83.666 10.469 -1.268 1.00 0.00 N ATOM 617 CA ALA A 68 84.034 9.415 -0.296 1.00 0.00 C ATOM 618 C ALA A 68 84.990 10.018 0.708 1.00 0.00 C ATOM 619 O ALA A 68 85.018 9.651 1.861 1.00 0.00 O ATOM 620 CB ALA A 68 84.718 8.316 -1.100 1.00 0.00 C ATOM 0 H ALA A 68 83.840 10.244 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 68 83.175 9.013 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.013 7.507 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.028 7.932 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.602 8.722 -1.592 1.00 0.00 H new ATOM 626 N ALA A 69 85.761 10.975 0.289 1.00 0.00 N ATOM 627 CA ALA A 69 86.675 11.615 1.250 1.00 0.00 C ATOM 628 C ALA A 69 85.847 12.029 2.458 1.00 0.00 C ATOM 629 O ALA A 69 85.899 11.410 3.502 1.00 0.00 O ATOM 630 CB ALA A 69 87.245 12.839 0.533 1.00 0.00 C ATOM 0 H ALA A 69 85.795 11.334 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 69 87.483 10.964 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.935 13.361 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.775 12.521 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.432 13.509 0.255 1.00 0.00 H new ATOM 636 N GLN A 70 85.068 13.070 2.327 1.00 0.00 N ATOM 637 CA GLN A 70 84.242 13.497 3.470 1.00 0.00 C ATOM 638 C GLN A 70 82.854 12.867 3.482 1.00 0.00 C ATOM 639 O GLN A 70 82.376 12.450 4.512 1.00 0.00 O ATOM 640 CB GLN A 70 84.117 14.994 3.366 1.00 0.00 C ATOM 641 CG GLN A 70 84.560 15.547 4.705 1.00 0.00 C ATOM 642 CD GLN A 70 83.524 15.167 5.785 1.00 0.00 C ATOM 643 OE1 GLN A 70 83.379 13.910 6.172 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 82.830 16.027 6.288 1.00 0.00 N flip ATOM 0 H GLN A 70 84.975 13.633 1.481 1.00 0.00 H new ATOM 0 HA GLN A 70 84.721 13.175 4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.739 15.382 2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.090 15.285 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.540 15.149 4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.661 16.631 4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.933 16.999 5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.144 15.777 7.001 1.00 0.00 H new ATOM 653 N TYR A 71 82.174 12.839 2.370 1.00 0.00 N ATOM 654 CA TYR A 71 80.799 12.272 2.385 1.00 0.00 C ATOM 655 C TYR A 71 80.837 10.943 3.133 1.00 0.00 C ATOM 656 O TYR A 71 79.885 10.551 3.780 1.00 0.00 O ATOM 657 CB TYR A 71 80.371 12.083 0.922 1.00 0.00 C ATOM 658 CG TYR A 71 80.174 13.426 0.235 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.753 14.608 0.740 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.393 13.484 -0.925 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.544 15.827 0.081 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.187 14.703 -1.578 1.00 0.00 C ATOM 663 CZ TYR A 71 79.761 15.874 -1.075 1.00 0.00 C ATOM 664 OH TYR A 71 79.556 17.076 -1.719 1.00 0.00 O ATOM 0 H TYR A 71 82.504 13.178 1.466 1.00 0.00 H new ATOM 0 HA TYR A 71 80.085 12.925 2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.127 11.505 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.445 11.510 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.357 14.574 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.947 12.582 -1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.989 16.732 0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.583 14.740 -2.473 1.00 0.00 H new ATOM 0 HH TYR A 71 78.656 17.406 -1.516 1.00 0.00 H new ATOM 674 N SER A 72 81.946 10.257 3.067 1.00 0.00 N ATOM 675 CA SER A 72 82.057 8.960 3.800 1.00 0.00 C ATOM 676 C SER A 72 82.073 9.203 5.315 1.00 0.00 C ATOM 677 O SER A 72 81.949 8.285 6.100 1.00 0.00 O ATOM 678 CB SER A 72 83.381 8.341 3.370 1.00 0.00 C ATOM 679 OG SER A 72 83.348 8.060 1.982 1.00 0.00 O ATOM 0 H SER A 72 82.775 10.535 2.542 1.00 0.00 H new ATOM 0 HA SER A 72 81.212 8.309 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 72 84.202 9.023 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.565 7.425 3.932 1.00 0.00 H new ATOM 0 HG SER A 72 84.230 8.236 1.592 1.00 0.00 H new ATOM 685 N GLU A 73 82.215 10.442 5.714 1.00 0.00 N ATOM 686 CA GLU A 73 82.241 10.807 7.161 1.00 0.00 C ATOM 687 C GLU A 73 82.816 9.672 8.002 1.00 0.00 C ATOM 688 O GLU A 73 82.295 9.316 9.041 1.00 0.00 O ATOM 689 CB GLU A 73 80.788 11.074 7.520 1.00 0.00 C ATOM 690 CG GLU A 73 80.732 12.211 8.533 1.00 0.00 C ATOM 691 CD GLU A 73 80.795 11.635 9.949 1.00 0.00 C ATOM 692 OE1 GLU A 73 80.534 10.452 10.098 1.00 0.00 O ATOM 693 OE2 GLU A 73 81.102 12.386 10.859 1.00 0.00 O ATOM 0 H GLU A 73 82.316 11.234 5.080 1.00 0.00 H new ATOM 0 HA GLU A 73 82.875 11.672 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.221 11.336 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.331 10.176 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 73 81.563 12.898 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 73 79.814 12.784 8.402 1.00 0.00 H new ATOM 700 N ASP A 74 83.891 9.108 7.549 1.00 0.00 N ATOM 701 CA ASP A 74 84.534 7.989 8.294 1.00 0.00 C ATOM 702 C ASP A 74 85.636 7.368 7.436 1.00 0.00 C ATOM 703 O ASP A 74 86.809 7.470 7.738 1.00 0.00 O ATOM 704 CB ASP A 74 83.411 6.979 8.541 1.00 0.00 C ATOM 705 CG ASP A 74 83.207 6.799 10.047 1.00 0.00 C ATOM 706 OD1 ASP A 74 83.508 7.725 10.781 1.00 0.00 O ATOM 707 OD2 ASP A 74 82.751 5.737 10.439 1.00 0.00 O ATOM 0 H ASP A 74 84.362 9.374 6.684 1.00 0.00 H new ATOM 0 HA ASP A 74 84.994 8.316 9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 74 82.487 7.326 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 74 83.660 6.023 8.080 1.00 0.00 H new ATOM 712 N LYS A 75 85.263 6.736 6.358 1.00 0.00 N ATOM 713 CA LYS A 75 86.278 6.116 5.460 1.00 0.00 C ATOM 714 C LYS A 75 86.065 6.622 4.028 1.00 0.00 C ATOM 715 O LYS A 75 85.902 7.804 3.802 1.00 0.00 O ATOM 716 CB LYS A 75 86.024 4.611 5.555 1.00 0.00 C ATOM 717 CG LYS A 75 87.307 3.855 5.199 1.00 0.00 C ATOM 718 CD LYS A 75 88.174 3.706 6.451 1.00 0.00 C ATOM 719 CE LYS A 75 88.671 2.264 6.557 1.00 0.00 C ATOM 720 NZ LYS A 75 89.605 2.267 7.719 1.00 0.00 N ATOM 0 H LYS A 75 84.295 6.622 6.059 1.00 0.00 H new ATOM 0 HA LYS A 75 87.302 6.363 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.702 4.348 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 75 85.220 4.323 4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 75 87.063 2.873 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 75 87.856 4.392 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 75 89.020 4.391 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 75 87.599 3.970 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 75 87.844 1.571 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 75 89.177 1.952 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 89.990 1.311 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 90.385 2.931 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 89.093 2.562 8.575 1.00 0.00 H new ATOM 734 N ALA A 76 86.057 5.745 3.060 1.00 0.00 N ATOM 735 CA ALA A 76 85.843 6.198 1.656 1.00 0.00 C ATOM 736 C ALA A 76 85.555 4.996 0.747 1.00 0.00 C ATOM 737 O ALA A 76 86.152 3.946 0.881 1.00 0.00 O ATOM 738 CB ALA A 76 87.152 6.879 1.253 1.00 0.00 C ATOM 0 H ALA A 76 86.189 4.741 3.180 1.00 0.00 H new ATOM 0 HA ALA A 76 84.991 6.872 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 76 87.073 7.241 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 76 87.346 7.719 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 76 87.971 6.163 1.323 1.00 0.00 H new ATOM 744 N ARG A 77 84.640 5.143 -0.175 1.00 0.00 N ATOM 745 CA ARG A 77 84.305 4.013 -1.095 1.00 0.00 C ATOM 746 C ARG A 77 85.501 3.682 -1.994 1.00 0.00 C ATOM 747 O ARG A 77 85.706 2.553 -2.388 1.00 0.00 O ATOM 748 CB ARG A 77 83.149 4.536 -1.948 1.00 0.00 C ATOM 749 CG ARG A 77 81.904 3.663 -1.749 1.00 0.00 C ATOM 750 CD ARG A 77 80.736 4.172 -2.621 1.00 0.00 C ATOM 751 NE ARG A 77 81.334 5.097 -3.635 1.00 0.00 N ATOM 752 CZ ARG A 77 81.324 4.786 -4.904 1.00 0.00 C ATOM 753 NH1 ARG A 77 80.308 5.119 -5.652 1.00 0.00 N ATOM 754 NH2 ARG A 77 82.335 4.148 -5.426 1.00 0.00 N ATOM 0 H ARG A 77 84.108 5.999 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 77 84.049 3.105 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.925 5.568 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 77 83.436 4.538 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 77 82.134 2.629 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 77 81.611 3.672 -0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 77 80.225 3.341 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 77 79.995 4.690 -2.013 1.00 0.00 H new ATOM 0 HE ARG A 77 81.752 5.977 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 77 79.520 5.623 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 77 80.302 4.875 -6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 77 83.132 3.892 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 77 82.328 3.905 -6.417 1.00 0.00 H new ATOM 768 N GLN A 78 86.293 4.661 -2.321 1.00 0.00 N ATOM 769 CA GLN A 78 87.473 4.414 -3.196 1.00 0.00 C ATOM 770 C GLN A 78 88.741 4.734 -2.411 1.00 0.00 C ATOM 771 O GLN A 78 89.539 3.868 -2.114 1.00 0.00 O ATOM 772 CB GLN A 78 87.334 5.375 -4.394 1.00 0.00 C ATOM 773 CG GLN A 78 85.867 5.505 -4.841 1.00 0.00 C ATOM 774 CD GLN A 78 85.113 6.372 -3.840 1.00 0.00 C ATOM 775 OE1 GLN A 78 85.728 6.994 -2.999 1.00 0.00 O ATOM 776 NE2 GLN A 78 83.808 6.424 -3.871 1.00 0.00 N ATOM 0 H GLN A 78 86.174 5.628 -2.019 1.00 0.00 H new ATOM 0 HA GLN A 78 87.526 3.379 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 78 87.722 6.357 -4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 78 87.939 5.013 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 78 85.815 5.948 -5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 78 85.406 4.520 -4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.293 5.900 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 78 83.304 6.988 -3.187 1.00 0.00 H new ATOM 785 N GLY A 79 88.920 5.976 -2.053 1.00 0.00 N ATOM 786 CA GLY A 79 90.122 6.356 -1.267 1.00 0.00 C ATOM 787 C GLY A 79 90.117 5.563 0.042 1.00 0.00 C ATOM 788 O GLY A 79 91.121 5.450 0.719 1.00 0.00 O ATOM 0 H GLY A 79 88.284 6.743 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.028 6.144 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.117 7.426 -1.061 1.00 0.00 H new ATOM 792 N GLY A 80 88.987 5.007 0.398 1.00 0.00 N ATOM 793 CA GLY A 80 88.900 4.213 1.657 1.00 0.00 C ATOM 794 C GLY A 80 88.458 2.784 1.330 1.00 0.00 C ATOM 795 O GLY A 80 88.273 1.967 2.211 1.00 0.00 O ATOM 0 H GLY A 80 88.118 5.070 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 80 89.868 4.200 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 80 88.191 4.676 2.343 1.00 0.00 H new ATOM 799 N ASP A 81 88.283 2.477 0.072 1.00 0.00 N ATOM 800 CA ASP A 81 87.849 1.102 -0.309 1.00 0.00 C ATOM 801 C ASP A 81 88.583 0.058 0.536 1.00 0.00 C ATOM 802 O ASP A 81 89.695 -0.327 0.235 1.00 0.00 O ATOM 803 CB ASP A 81 88.232 0.963 -1.784 1.00 0.00 C ATOM 804 CG ASP A 81 87.854 -0.436 -2.278 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.380 -1.219 -1.473 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.046 -0.697 -3.454 1.00 0.00 O ATOM 0 H ASP A 81 88.422 3.119 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 81 86.783 0.946 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.720 1.721 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.302 1.129 -1.910 1.00 0.00 H new ATOM 811 N LEU A 82 87.968 -0.402 1.593 1.00 0.00 N ATOM 812 CA LEU A 82 88.632 -1.421 2.458 1.00 0.00 C ATOM 813 C LEU A 82 89.335 -2.473 1.595 1.00 0.00 C ATOM 814 O LEU A 82 90.331 -3.047 1.988 1.00 0.00 O ATOM 815 CB LEU A 82 87.496 -2.057 3.259 1.00 0.00 C ATOM 816 CG LEU A 82 87.244 -1.239 4.528 1.00 0.00 C ATOM 817 CD1 LEU A 82 86.129 -1.895 5.344 1.00 0.00 C ATOM 818 CD2 LEU A 82 88.524 -1.187 5.363 1.00 0.00 C ATOM 0 H LEU A 82 87.036 -0.117 1.895 1.00 0.00 H new ATOM 0 HA LEU A 82 89.393 -0.983 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.590 -2.098 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.752 -3.084 3.521 1.00 0.00 H new ATOM 0 HG LEU A 82 86.947 -0.226 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 82 85.949 -1.313 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 82 85.217 -1.933 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 82 86.426 -2.908 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 82 88.345 -0.605 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 82 88.821 -2.199 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 82 89.319 -0.720 4.782 1.00 0.00 H new ATOM 830 N GLY A 83 88.826 -2.726 0.420 1.00 0.00 N ATOM 831 CA GLY A 83 89.466 -3.738 -0.468 1.00 0.00 C ATOM 832 C GLY A 83 88.912 -5.127 -0.148 1.00 0.00 C ATOM 833 O GLY A 83 87.978 -5.272 0.616 1.00 0.00 O ATOM 0 H GLY A 83 87.995 -2.276 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.276 -3.492 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.547 -3.726 -0.329 1.00 0.00 H new ATOM 837 N TRP A 84 89.486 -6.152 -0.723 1.00 0.00 N ATOM 838 CA TRP A 84 88.999 -7.536 -0.452 1.00 0.00 C ATOM 839 C TRP A 84 88.685 -7.699 1.038 1.00 0.00 C ATOM 840 O TRP A 84 89.428 -7.249 1.888 1.00 0.00 O ATOM 841 CB TRP A 84 90.160 -8.443 -0.866 1.00 0.00 C ATOM 842 CG TRP A 84 90.045 -8.768 -2.318 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.953 -8.431 -3.257 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.986 -9.487 -3.010 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.518 -8.893 -4.488 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.308 -9.551 -4.387 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.789 -10.083 -2.582 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.469 -10.184 -5.307 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.943 -10.720 -3.503 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.281 -10.771 -4.861 1.00 0.00 C ATOM 0 H TRP A 84 90.272 -6.089 -1.370 1.00 0.00 H new ATOM 0 HA TRP A 84 88.084 -7.774 -0.994 1.00 0.00 H new ATOM 0 HB2 TRP A 84 91.111 -7.948 -0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 84 90.148 -9.359 -0.275 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.870 -7.889 -3.078 1.00 0.00 H new ATOM 0 HE1 TRP A 84 91.028 -8.763 -5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.517 -10.051 -1.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.735 -10.220 -6.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.024 -11.174 -3.162 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.625 -11.263 -5.563 1.00 0.00 H new ATOM 861 N MET A 85 87.590 -8.333 1.368 1.00 0.00 N ATOM 862 CA MET A 85 87.246 -8.506 2.809 1.00 0.00 C ATOM 863 C MET A 85 86.526 -9.837 3.042 1.00 0.00 C ATOM 864 O MET A 85 85.817 -10.329 2.190 1.00 0.00 O ATOM 865 CB MET A 85 86.319 -7.335 3.136 1.00 0.00 C ATOM 866 CG MET A 85 86.435 -6.995 4.622 1.00 0.00 C ATOM 867 SD MET A 85 87.886 -5.947 4.888 1.00 0.00 S ATOM 868 CE MET A 85 87.734 -5.802 6.685 1.00 0.00 C ATOM 0 H MET A 85 86.925 -8.735 0.708 1.00 0.00 H new ATOM 0 HA MET A 85 88.135 -8.519 3.440 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.584 -6.468 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.289 -7.593 2.890 1.00 0.00 H new ATOM 0 HG2 MET A 85 85.535 -6.481 4.960 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.520 -7.909 5.210 1.00 0.00 H new ATOM 0 HE1 MET A 85 88.545 -5.183 7.070 1.00 0.00 H new ATOM 0 HE2 MET A 85 86.777 -5.342 6.933 1.00 0.00 H new ATOM 0 HE3 MET A 85 87.788 -6.793 7.136 1.00 0.00 H new ATOM 878 N THR A 86 86.703 -10.420 4.198 1.00 0.00 N ATOM 879 CA THR A 86 86.031 -11.716 4.500 1.00 0.00 C ATOM 880 C THR A 86 85.422 -11.699 5.889 1.00 0.00 C ATOM 881 O THR A 86 85.880 -11.025 6.790 1.00 0.00 O ATOM 882 CB THR A 86 87.087 -12.800 4.424 1.00 0.00 C ATOM 883 OG1 THR A 86 86.523 -14.030 4.858 1.00 0.00 O ATOM 884 CG2 THR A 86 88.252 -12.428 5.328 1.00 0.00 C ATOM 0 H THR A 86 87.287 -10.052 4.949 1.00 0.00 H new ATOM 0 HA THR A 86 85.227 -11.894 3.786 1.00 0.00 H new ATOM 0 HB THR A 86 87.441 -12.902 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 86 86.684 -14.720 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 86 89.015 -13.205 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 86 88.678 -11.479 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.900 -12.333 6.355 1.00 0.00 H new ATOM 892 N ARG A 87 84.389 -12.446 6.045 1.00 0.00 N ATOM 893 CA ARG A 87 83.695 -12.520 7.363 1.00 0.00 C ATOM 894 C ARG A 87 84.705 -12.785 8.481 1.00 0.00 C ATOM 895 O ARG A 87 85.840 -13.143 8.234 1.00 0.00 O ATOM 896 CB ARG A 87 82.718 -13.689 7.234 1.00 0.00 C ATOM 897 CG ARG A 87 81.498 -13.435 8.121 1.00 0.00 C ATOM 898 CD ARG A 87 80.290 -14.185 7.554 1.00 0.00 C ATOM 899 NE ARG A 87 80.564 -15.621 7.842 1.00 0.00 N ATOM 900 CZ ARG A 87 80.154 -16.153 8.960 1.00 0.00 C ATOM 901 NH1 ARG A 87 78.887 -16.124 9.272 1.00 0.00 N ATOM 902 NH2 ARG A 87 81.011 -16.715 9.769 1.00 0.00 N ATOM 0 H ARG A 87 83.979 -13.023 5.311 1.00 0.00 H new ATOM 0 HA ARG A 87 83.185 -11.589 7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.408 -13.805 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 87 83.206 -14.619 7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 87 81.700 -13.767 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 87 81.286 -12.367 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 87 79.364 -13.857 8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.182 -14.010 6.484 1.00 0.00 H new ATOM 0 HE ARG A 87 81.073 -16.189 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 87 78.216 -15.685 8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 87 78.567 -16.540 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 87 82.002 -16.738 9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 87 80.690 -17.131 10.643 1.00 0.00 H new ATOM 916 N GLY A 88 84.302 -12.612 9.710 1.00 0.00 N ATOM 917 CA GLY A 88 85.240 -12.853 10.843 1.00 0.00 C ATOM 918 C GLY A 88 85.715 -11.510 11.402 1.00 0.00 C ATOM 919 O GLY A 88 85.402 -11.146 12.518 1.00 0.00 O ATOM 0 H GLY A 88 83.364 -12.314 9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 88 84.744 -13.430 11.624 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.093 -13.441 10.505 1.00 0.00 H new ATOM 923 N SER A 89 86.469 -10.772 10.634 1.00 0.00 N ATOM 924 CA SER A 89 86.965 -9.453 11.122 1.00 0.00 C ATOM 925 C SER A 89 85.899 -8.375 10.910 1.00 0.00 C ATOM 926 O SER A 89 85.951 -7.312 11.498 1.00 0.00 O ATOM 927 CB SER A 89 88.202 -9.157 10.275 1.00 0.00 C ATOM 928 OG SER A 89 89.314 -8.924 11.128 1.00 0.00 O ATOM 0 H SER A 89 86.763 -11.025 9.691 1.00 0.00 H new ATOM 0 HA SER A 89 87.194 -9.467 12.188 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.410 -9.995 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.025 -8.286 9.645 1.00 0.00 H new ATOM 0 HG SER A 89 90.108 -8.736 10.586 1.00 0.00 H new ATOM 934 N MET A 90 84.931 -8.639 10.076 1.00 0.00 N ATOM 935 CA MET A 90 83.863 -7.626 9.829 1.00 0.00 C ATOM 936 C MET A 90 82.998 -7.458 11.079 1.00 0.00 C ATOM 937 O MET A 90 83.460 -7.612 12.192 1.00 0.00 O ATOM 938 CB MET A 90 83.035 -8.193 8.675 1.00 0.00 C ATOM 939 CG MET A 90 82.881 -7.130 7.587 1.00 0.00 C ATOM 940 SD MET A 90 81.994 -7.833 6.176 1.00 0.00 S ATOM 941 CE MET A 90 82.925 -6.986 4.877 1.00 0.00 C ATOM 0 H MET A 90 84.832 -9.510 9.555 1.00 0.00 H new ATOM 0 HA MET A 90 84.272 -6.644 9.591 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.520 -9.079 8.266 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.055 -8.504 9.035 1.00 0.00 H new ATOM 0 HG2 MET A 90 82.339 -6.270 7.979 1.00 0.00 H new ATOM 0 HG3 MET A 90 83.861 -6.772 7.272 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.258 -6.748 4.048 1.00 0.00 H new ATOM 0 HE2 MET A 90 83.351 -6.066 5.276 1.00 0.00 H new ATOM 0 HE3 MET A 90 83.727 -7.634 4.523 1.00 0.00 H new ATOM 951 N VAL A 91 81.744 -7.146 10.905 1.00 0.00 N ATOM 952 CA VAL A 91 80.849 -6.970 12.083 1.00 0.00 C ATOM 953 C VAL A 91 79.600 -7.852 11.924 1.00 0.00 C ATOM 954 O VAL A 91 79.670 -8.945 11.398 1.00 0.00 O ATOM 955 CB VAL A 91 80.496 -5.477 12.086 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.361 -5.204 11.097 1.00 0.00 C ATOM 957 CG2 VAL A 91 80.068 -5.052 13.492 1.00 0.00 C ATOM 0 H VAL A 91 81.300 -7.005 9.998 1.00 0.00 H new ATOM 0 HA VAL A 91 81.315 -7.266 13.023 1.00 0.00 H new ATOM 0 HB VAL A 91 81.373 -4.904 11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.118 -4.142 11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.674 -5.496 10.094 1.00 0.00 H new ATOM 0 HG13 VAL A 91 78.481 -5.780 11.384 1.00 0.00 H new ATOM 0 HG21 VAL A 91 79.818 -3.991 13.491 1.00 0.00 H new ATOM 0 HG22 VAL A 91 79.196 -5.630 13.797 1.00 0.00 H new ATOM 0 HG23 VAL A 91 80.885 -5.232 14.191 1.00 0.00 H new ATOM 967 N GLY A 92 78.466 -7.396 12.378 1.00 0.00 N ATOM 968 CA GLY A 92 77.231 -8.223 12.256 1.00 0.00 C ATOM 969 C GLY A 92 76.397 -7.758 11.053 1.00 0.00 C ATOM 970 O GLY A 92 76.348 -8.433 10.044 1.00 0.00 O ATOM 0 H GLY A 92 78.340 -6.489 12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.498 -9.273 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.641 -8.145 13.169 1.00 0.00 H new ATOM 974 N PRO A 93 75.755 -6.625 11.202 1.00 0.00 N ATOM 975 CA PRO A 93 74.902 -6.079 10.116 1.00 0.00 C ATOM 976 C PRO A 93 75.709 -5.847 8.835 1.00 0.00 C ATOM 977 O PRO A 93 75.340 -6.301 7.770 1.00 0.00 O ATOM 978 CB PRO A 93 74.409 -4.756 10.708 1.00 0.00 C ATOM 979 CG PRO A 93 74.999 -4.594 12.123 1.00 0.00 C ATOM 980 CD PRO A 93 75.848 -5.830 12.450 1.00 0.00 C ATOM 0 HA PRO A 93 74.094 -6.750 9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.713 -3.923 10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.320 -4.744 10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.609 -3.692 12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 93 74.199 -4.481 12.855 1.00 0.00 H new ATOM 0 HD2 PRO A 93 76.878 -5.563 12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.456 -6.376 13.308 1.00 0.00 H new ATOM 988 N PHE A 94 76.801 -5.138 8.921 1.00 0.00 N ATOM 989 CA PHE A 94 77.615 -4.879 7.699 1.00 0.00 C ATOM 990 C PHE A 94 77.773 -6.166 6.884 1.00 0.00 C ATOM 991 O PHE A 94 77.617 -6.171 5.679 1.00 0.00 O ATOM 992 CB PHE A 94 78.967 -4.395 8.217 1.00 0.00 C ATOM 993 CG PHE A 94 79.744 -3.771 7.082 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.519 -4.577 6.239 1.00 0.00 C ATOM 995 CD2 PHE A 94 79.689 -2.388 6.874 1.00 0.00 C ATOM 996 CE1 PHE A 94 81.238 -3.997 5.187 1.00 0.00 C ATOM 997 CE2 PHE A 94 80.409 -1.809 5.823 1.00 0.00 C ATOM 998 CZ PHE A 94 81.184 -2.614 4.979 1.00 0.00 C ATOM 0 H PHE A 94 77.164 -4.728 9.781 1.00 0.00 H new ATOM 0 HA PHE A 94 77.149 -4.146 7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 94 78.824 -3.669 9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.527 -5.229 8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 94 80.562 -5.644 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 94 79.091 -1.768 7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 94 81.835 -4.618 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 94 80.367 -0.742 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.740 -2.168 4.168 1.00 0.00 H new ATOM 1008 N GLN A 95 78.077 -7.259 7.531 1.00 0.00 N ATOM 1009 CA GLN A 95 78.237 -8.542 6.788 1.00 0.00 C ATOM 1010 C GLN A 95 76.860 -9.116 6.439 1.00 0.00 C ATOM 1011 O GLN A 95 76.669 -9.711 5.398 1.00 0.00 O ATOM 1012 CB GLN A 95 78.979 -9.468 7.754 1.00 0.00 C ATOM 1013 CG GLN A 95 78.825 -10.920 7.293 1.00 0.00 C ATOM 1014 CD GLN A 95 77.859 -11.651 8.228 1.00 0.00 C ATOM 1015 OE1 GLN A 95 77.604 -11.202 9.327 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.309 -12.767 7.835 1.00 0.00 N ATOM 0 H GLN A 95 78.221 -7.319 8.539 1.00 0.00 H new ATOM 0 HA GLN A 95 78.779 -8.418 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.034 -9.198 7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.582 -9.352 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.451 -10.950 6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.795 -11.418 7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 95 77.523 -13.144 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 95 76.665 -13.263 8.451 1.00 0.00 H new ATOM 1025 N GLU A 96 75.900 -8.938 7.305 1.00 0.00 N ATOM 1026 CA GLU A 96 74.535 -9.470 7.027 1.00 0.00 C ATOM 1027 C GLU A 96 73.961 -8.823 5.762 1.00 0.00 C ATOM 1028 O GLU A 96 73.173 -9.416 5.054 1.00 0.00 O ATOM 1029 CB GLU A 96 73.705 -9.084 8.253 1.00 0.00 C ATOM 1030 CG GLU A 96 73.637 -10.271 9.217 1.00 0.00 C ATOM 1031 CD GLU A 96 72.249 -10.333 9.858 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.863 -9.359 10.483 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.597 -11.354 9.714 1.00 0.00 O ATOM 0 H GLU A 96 76.002 -8.447 8.193 1.00 0.00 H new ATOM 0 HA GLU A 96 74.537 -10.547 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.151 -8.223 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.700 -8.791 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.844 -11.198 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.401 -10.170 9.988 1.00 0.00 H new ATOM 1040 N ALA A 97 74.346 -7.608 5.480 1.00 0.00 N ATOM 1041 CA ALA A 97 73.817 -6.918 4.268 1.00 0.00 C ATOM 1042 C ALA A 97 74.679 -7.234 3.041 1.00 0.00 C ATOM 1043 O ALA A 97 74.275 -7.958 2.154 1.00 0.00 O ATOM 1044 CB ALA A 97 73.892 -5.427 4.601 1.00 0.00 C ATOM 0 H ALA A 97 75.004 -7.063 6.037 1.00 0.00 H new ATOM 0 HA ALA A 97 72.804 -7.239 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.519 -4.847 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.283 -5.220 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.927 -5.151 4.803 1.00 0.00 H new ATOM 1050 N ALA A 98 75.857 -6.683 2.982 1.00 0.00 N ATOM 1051 CA ALA A 98 76.745 -6.932 1.808 1.00 0.00 C ATOM 1052 C ALA A 98 77.093 -8.419 1.687 1.00 0.00 C ATOM 1053 O ALA A 98 76.665 -9.094 0.771 1.00 0.00 O ATOM 1054 CB ALA A 98 78.005 -6.111 2.087 1.00 0.00 C ATOM 0 H ALA A 98 76.247 -6.069 3.697 1.00 0.00 H new ATOM 0 HA ALA A 98 76.265 -6.651 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.712 -6.240 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.740 -5.057 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.462 -6.450 3.017 1.00 0.00 H new ATOM 1060 N PHE A 99 77.879 -8.929 2.594 1.00 0.00 N ATOM 1061 CA PHE A 99 78.271 -10.368 2.522 1.00 0.00 C ATOM 1062 C PHE A 99 77.066 -11.248 2.181 1.00 0.00 C ATOM 1063 O PHE A 99 77.200 -12.283 1.557 1.00 0.00 O ATOM 1064 CB PHE A 99 78.802 -10.706 3.914 1.00 0.00 C ATOM 1065 CG PHE A 99 80.127 -11.414 3.777 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.163 -12.781 3.477 1.00 0.00 C ATOM 1067 CD2 PHE A 99 81.322 -10.704 3.944 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.391 -13.438 3.344 1.00 0.00 C ATOM 1069 CE2 PHE A 99 82.551 -11.359 3.812 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.585 -12.726 3.512 1.00 0.00 C ATOM 0 H PHE A 99 78.268 -8.413 3.383 1.00 0.00 H new ATOM 0 HA PHE A 99 79.013 -10.545 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.921 -9.796 4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 99 78.090 -11.339 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 99 79.241 -13.329 3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 99 81.295 -9.649 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 99 81.418 -14.492 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 99 83.472 -10.811 3.941 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.534 -13.232 3.410 1.00 0.00 H new ATOM 1080 N ALA A 100 75.892 -10.855 2.587 1.00 0.00 N ATOM 1081 CA ALA A 100 74.688 -11.682 2.287 1.00 0.00 C ATOM 1082 C ALA A 100 74.168 -11.382 0.878 1.00 0.00 C ATOM 1083 O ALA A 100 73.841 -12.276 0.123 1.00 0.00 O ATOM 1084 CB ALA A 100 73.655 -11.274 3.337 1.00 0.00 C ATOM 0 H ALA A 100 75.713 -9.999 3.112 1.00 0.00 H new ATOM 0 HA ALA A 100 74.906 -12.749 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.737 -11.841 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.047 -11.481 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.444 -10.209 3.245 1.00 0.00 H new ATOM 1090 N LEU A 101 74.080 -10.130 0.520 1.00 0.00 N ATOM 1091 CA LEU A 101 73.571 -9.776 -0.834 1.00 0.00 C ATOM 1092 C LEU A 101 74.713 -9.774 -1.859 1.00 0.00 C ATOM 1093 O LEU A 101 75.870 -9.707 -1.496 1.00 0.00 O ATOM 1094 CB LEU A 101 72.990 -8.374 -0.671 1.00 0.00 C ATOM 1095 CG LEU A 101 72.051 -8.352 0.538 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.726 -6.902 0.902 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.758 -9.095 0.195 1.00 0.00 C ATOM 0 H LEU A 101 74.339 -9.337 1.107 1.00 0.00 H new ATOM 0 HA LEU A 101 72.833 -10.490 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.793 -7.649 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 101 72.448 -8.086 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 101 72.535 -8.840 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.057 -6.884 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.647 -6.373 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.242 -6.414 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.090 -9.079 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.272 -8.608 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.990 -10.128 -0.065 1.00 0.00 H new ATOM 1109 N PRO A 102 74.344 -9.850 -3.117 1.00 0.00 N ATOM 1110 CA PRO A 102 75.346 -9.859 -4.213 1.00 0.00 C ATOM 1111 C PRO A 102 76.123 -8.538 -4.240 1.00 0.00 C ATOM 1112 O PRO A 102 75.861 -7.639 -3.466 1.00 0.00 O ATOM 1113 CB PRO A 102 74.472 -10.000 -5.463 1.00 0.00 C ATOM 1114 CG PRO A 102 72.993 -10.058 -5.033 1.00 0.00 C ATOM 1115 CD PRO A 102 72.916 -9.930 -3.507 1.00 0.00 C ATOM 0 HA PRO A 102 76.094 -10.645 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 102 74.637 -9.158 -6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 102 74.741 -10.903 -6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 102 72.430 -9.254 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 102 72.543 -10.997 -5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.362 -9.042 -3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 102 72.419 -10.787 -3.053 1.00 0.00 H new ATOM 1123 N VAL A 103 77.073 -8.408 -5.130 1.00 0.00 N ATOM 1124 CA VAL A 103 77.852 -7.158 -5.211 1.00 0.00 C ATOM 1125 C VAL A 103 76.927 -5.981 -5.483 1.00 0.00 C ATOM 1126 O VAL A 103 75.794 -6.155 -5.887 1.00 0.00 O ATOM 1127 CB VAL A 103 78.794 -7.399 -6.369 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.835 -8.426 -5.946 1.00 0.00 C ATOM 1129 CG2 VAL A 103 78.017 -7.909 -7.575 1.00 0.00 C ATOM 0 H VAL A 103 77.337 -9.126 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 103 78.383 -6.917 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 103 79.287 -6.467 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.522 -8.610 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 103 80.392 -8.048 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.338 -9.357 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 103 78.703 -8.080 -8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.519 -8.844 -7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 103 77.272 -7.169 -7.867 1.00 0.00 H new ATOM 1139 N SER A 104 77.406 -4.784 -5.262 1.00 0.00 N ATOM 1140 CA SER A 104 76.544 -3.566 -5.490 1.00 0.00 C ATOM 1141 C SER A 104 77.127 -2.307 -4.810 1.00 0.00 C ATOM 1142 O SER A 104 78.322 -2.154 -4.666 1.00 0.00 O ATOM 1143 CB SER A 104 75.186 -3.908 -4.847 1.00 0.00 C ATOM 1144 OG SER A 104 74.165 -3.837 -5.831 1.00 0.00 O ATOM 0 H SER A 104 78.352 -4.589 -4.935 1.00 0.00 H new ATOM 0 HA SER A 104 76.473 -3.340 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 104 75.219 -4.907 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 104 74.971 -3.214 -4.034 1.00 0.00 H new ATOM 0 HG SER A 104 74.186 -4.646 -6.383 1.00 0.00 H new ATOM 1150 N GLY A 105 76.253 -1.413 -4.397 1.00 0.00 N ATOM 1151 CA GLY A 105 76.655 -0.146 -3.711 1.00 0.00 C ATOM 1152 C GLY A 105 77.068 0.909 -4.738 1.00 0.00 C ATOM 1153 O GLY A 105 77.095 0.654 -5.917 1.00 0.00 O ATOM 0 H GLY A 105 75.245 -1.518 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 105 75.826 0.228 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 105 77.482 -0.341 -3.028 1.00 0.00 H new ATOM 1157 N MET A 106 77.419 2.088 -4.282 1.00 0.00 N ATOM 1158 CA MET A 106 77.871 3.175 -5.194 1.00 0.00 C ATOM 1159 C MET A 106 76.716 3.868 -5.933 1.00 0.00 C ATOM 1160 O MET A 106 76.803 5.033 -6.266 1.00 0.00 O ATOM 1161 CB MET A 106 78.855 2.477 -6.143 1.00 0.00 C ATOM 1162 CG MET A 106 78.247 2.271 -7.542 1.00 0.00 C ATOM 1163 SD MET A 106 78.751 0.661 -8.197 1.00 0.00 S ATOM 1164 CE MET A 106 77.090 -0.058 -8.323 1.00 0.00 C ATOM 0 H MET A 106 77.409 2.343 -3.294 1.00 0.00 H new ATOM 0 HA MET A 106 78.335 3.997 -4.649 1.00 0.00 H new ATOM 0 HB2 MET A 106 79.765 3.071 -6.225 1.00 0.00 H new ATOM 0 HB3 MET A 106 79.142 1.512 -5.725 1.00 0.00 H new ATOM 0 HG2 MET A 106 77.160 2.328 -7.488 1.00 0.00 H new ATOM 0 HG3 MET A 106 78.575 3.066 -8.212 1.00 0.00 H new ATOM 0 HE1 MET A 106 77.016 -0.921 -7.661 1.00 0.00 H new ATOM 0 HE2 MET A 106 76.348 0.686 -8.033 1.00 0.00 H new ATOM 0 HE3 MET A 106 76.906 -0.372 -9.351 1.00 0.00 H new ATOM 1174 N ASP A 107 75.652 3.180 -6.203 1.00 0.00 N ATOM 1175 CA ASP A 107 74.525 3.827 -6.928 1.00 0.00 C ATOM 1176 C ASP A 107 73.448 2.791 -7.225 1.00 0.00 C ATOM 1177 O ASP A 107 73.581 1.976 -8.116 1.00 0.00 O ATOM 1178 CB ASP A 107 75.135 4.363 -8.226 1.00 0.00 C ATOM 1179 CG ASP A 107 74.022 4.647 -9.238 1.00 0.00 C ATOM 1180 OD1 ASP A 107 72.912 4.916 -8.808 1.00 0.00 O ATOM 1181 OD2 ASP A 107 74.299 4.591 -10.424 1.00 0.00 O ATOM 0 H ASP A 107 75.509 2.201 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 107 74.057 4.624 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 107 75.699 5.274 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 107 75.837 3.637 -8.637 1.00 0.00 H new ATOM 1186 N LYS A 108 72.395 2.808 -6.468 1.00 0.00 N ATOM 1187 CA LYS A 108 71.304 1.817 -6.680 1.00 0.00 C ATOM 1188 C LYS A 108 71.865 0.407 -6.477 1.00 0.00 C ATOM 1189 O LYS A 108 71.932 -0.376 -7.403 1.00 0.00 O ATOM 1190 CB LYS A 108 70.842 2.022 -8.122 1.00 0.00 C ATOM 1191 CG LYS A 108 69.625 1.136 -8.397 1.00 0.00 C ATOM 1192 CD LYS A 108 68.463 1.573 -7.503 1.00 0.00 C ATOM 1193 CE LYS A 108 67.167 0.929 -7.998 1.00 0.00 C ATOM 1194 NZ LYS A 108 67.089 -0.374 -7.278 1.00 0.00 N ATOM 0 H LYS A 108 72.238 3.468 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 108 70.475 1.943 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.589 3.069 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 108 71.649 1.775 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.338 1.209 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 108 69.872 0.092 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 108 68.655 1.281 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 108 68.370 2.659 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 108 66.304 1.556 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 108 67.185 0.783 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 66.225 -0.877 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 67.921 -0.952 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 67.067 -0.203 -6.252 1.00 0.00 H new ATOM 1208 N PRO A 109 72.264 0.137 -5.258 1.00 0.00 N ATOM 1209 CA PRO A 109 72.843 -1.180 -4.908 1.00 0.00 C ATOM 1210 C PRO A 109 71.830 -2.305 -5.108 1.00 0.00 C ATOM 1211 O PRO A 109 70.929 -2.213 -5.918 1.00 0.00 O ATOM 1212 CB PRO A 109 73.207 -1.005 -3.429 1.00 0.00 C ATOM 1213 CG PRO A 109 72.865 0.431 -3.008 1.00 0.00 C ATOM 1214 CD PRO A 109 72.150 1.131 -4.166 1.00 0.00 C ATOM 0 HA PRO A 109 73.694 -1.458 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 109 72.657 -1.720 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 109 74.268 -1.202 -3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 109 72.229 0.423 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 109 73.773 0.973 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 109 71.110 1.354 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 109 72.627 2.076 -4.426 1.00 0.00 H new ATOM 1222 N VAL A 110 71.990 -3.377 -4.388 1.00 0.00 N ATOM 1223 CA VAL A 110 71.064 -4.527 -4.540 1.00 0.00 C ATOM 1224 C VAL A 110 70.027 -4.553 -3.415 1.00 0.00 C ATOM 1225 O VAL A 110 70.137 -3.828 -2.450 1.00 0.00 O ATOM 1226 CB VAL A 110 71.967 -5.752 -4.449 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.834 -5.656 -3.193 1.00 0.00 C ATOM 1228 CG2 VAL A 110 71.100 -6.993 -4.353 1.00 0.00 C ATOM 0 H VAL A 110 72.728 -3.506 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 110 70.504 -4.479 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 110 72.605 -5.804 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 110 73.479 -6.532 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 110 73.447 -4.756 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 110 72.194 -5.611 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 110 71.735 -7.876 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 110 70.472 -6.930 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 110 70.469 -7.065 -5.239 1.00 0.00 H new ATOM 1238 N PHE A 111 69.036 -5.408 -3.551 1.00 0.00 N ATOM 1239 CA PHE A 111 67.954 -5.556 -2.521 1.00 0.00 C ATOM 1240 C PHE A 111 67.870 -4.349 -1.582 1.00 0.00 C ATOM 1241 O PHE A 111 67.041 -3.476 -1.749 1.00 0.00 O ATOM 1242 CB PHE A 111 68.333 -6.816 -1.739 1.00 0.00 C ATOM 1243 CG PHE A 111 68.334 -8.006 -2.671 1.00 0.00 C ATOM 1244 CD1 PHE A 111 67.237 -8.243 -3.508 1.00 0.00 C ATOM 1245 CD2 PHE A 111 69.435 -8.872 -2.699 1.00 0.00 C ATOM 1246 CE1 PHE A 111 67.241 -9.345 -4.371 1.00 0.00 C ATOM 1247 CE2 PHE A 111 69.438 -9.974 -3.564 1.00 0.00 C ATOM 1248 CZ PHE A 111 68.341 -10.210 -4.399 1.00 0.00 C ATOM 0 H PHE A 111 68.931 -6.026 -4.356 1.00 0.00 H new ATOM 0 HA PHE A 111 66.973 -5.624 -2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 111 69.317 -6.694 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.626 -6.978 -0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 111 66.388 -7.576 -3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 111 70.282 -8.690 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 111 66.394 -9.528 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 111 70.287 -10.641 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 111 68.343 -11.060 -5.065 1.00 0.00 H new ATOM 1258 N THR A 112 68.713 -4.302 -0.589 1.00 0.00 N ATOM 1259 CA THR A 112 68.672 -3.158 0.373 1.00 0.00 C ATOM 1260 C THR A 112 69.159 -1.866 -0.288 1.00 0.00 C ATOM 1261 O THR A 112 69.336 -1.792 -1.487 1.00 0.00 O ATOM 1262 CB THR A 112 69.613 -3.555 1.511 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.662 -2.504 2.467 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.017 -3.809 0.959 1.00 0.00 C ATOM 0 H THR A 112 69.429 -5.003 -0.399 1.00 0.00 H new ATOM 0 HA THR A 112 67.657 -2.967 0.722 1.00 0.00 H new ATOM 0 HB THR A 112 69.245 -4.465 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.263 -2.755 3.199 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.683 -4.091 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 112 70.979 -4.614 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.390 -2.902 0.483 1.00 0.00 H new ATOM 1272 N ASP A 113 69.381 -0.848 0.500 1.00 0.00 N ATOM 1273 CA ASP A 113 69.862 0.452 -0.056 1.00 0.00 C ATOM 1274 C ASP A 113 71.317 0.686 0.364 1.00 0.00 C ATOM 1275 O ASP A 113 71.820 0.008 1.238 1.00 0.00 O ATOM 1276 CB ASP A 113 68.945 1.510 0.558 1.00 0.00 C ATOM 1277 CG ASP A 113 67.628 1.557 -0.219 1.00 0.00 C ATOM 1278 OD1 ASP A 113 67.094 0.498 -0.504 1.00 0.00 O ATOM 1279 OD2 ASP A 113 67.175 2.650 -0.515 1.00 0.00 O ATOM 0 H ASP A 113 69.249 -0.861 1.511 1.00 0.00 H new ATOM 0 HA ASP A 113 69.833 0.479 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 113 68.753 1.277 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 113 69.430 2.486 0.532 1.00 0.00 H new ATOM 1284 N PRO A 114 71.959 1.633 -0.276 1.00 0.00 N ATOM 1285 CA PRO A 114 73.373 1.934 0.042 1.00 0.00 C ATOM 1286 C PRO A 114 73.561 2.321 1.523 1.00 0.00 C ATOM 1287 O PRO A 114 74.329 1.689 2.219 1.00 0.00 O ATOM 1288 CB PRO A 114 73.702 3.091 -0.908 1.00 0.00 C ATOM 1289 CG PRO A 114 72.442 3.414 -1.741 1.00 0.00 C ATOM 1290 CD PRO A 114 71.319 2.442 -1.343 1.00 0.00 C ATOM 0 HA PRO A 114 74.034 1.077 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.017 3.968 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.530 2.820 -1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.129 4.443 -1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.660 3.323 -2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.436 2.968 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.999 1.826 -2.183 1.00 0.00 H new ATOM 1298 N PRO A 115 72.859 3.336 1.964 1.00 0.00 N ATOM 1299 CA PRO A 115 72.971 3.785 3.375 1.00 0.00 C ATOM 1300 C PRO A 115 72.565 2.661 4.334 1.00 0.00 C ATOM 1301 O PRO A 115 71.446 2.615 4.806 1.00 0.00 O ATOM 1302 CB PRO A 115 71.961 4.932 3.443 1.00 0.00 C ATOM 1303 CG PRO A 115 71.296 5.089 2.063 1.00 0.00 C ATOM 1304 CD PRO A 115 71.920 4.074 1.097 1.00 0.00 C ATOM 0 HA PRO A 115 73.983 4.074 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.208 4.727 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.460 5.858 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.221 4.925 2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 115 71.437 6.103 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.169 3.416 0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.433 4.565 0.270 1.00 0.00 H new ATOM 1312 N VAL A 116 73.455 1.754 4.625 1.00 0.00 N ATOM 1313 CA VAL A 116 73.100 0.644 5.553 1.00 0.00 C ATOM 1314 C VAL A 116 73.413 1.044 6.998 1.00 0.00 C ATOM 1315 O VAL A 116 74.317 1.813 7.259 1.00 0.00 O ATOM 1316 CB VAL A 116 73.975 -0.531 5.116 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.945 -0.654 3.591 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.415 -0.307 5.582 1.00 0.00 C ATOM 0 H VAL A 116 74.408 1.733 4.263 1.00 0.00 H new ATOM 0 HA VAL A 116 72.039 0.396 5.517 1.00 0.00 H new ATOM 0 HB VAL A 116 73.591 -1.448 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 116 74.569 -1.492 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.920 -0.823 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.324 0.265 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 116 76.034 -1.147 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.801 0.612 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.437 -0.226 6.669 1.00 0.00 H new ATOM 1328 N LYS A 117 72.672 0.528 7.939 1.00 0.00 N ATOM 1329 CA LYS A 117 72.923 0.879 9.366 1.00 0.00 C ATOM 1330 C LYS A 117 73.670 -0.260 10.067 1.00 0.00 C ATOM 1331 O LYS A 117 73.413 -1.423 9.827 1.00 0.00 O ATOM 1332 CB LYS A 117 71.534 1.062 9.977 1.00 0.00 C ATOM 1333 CG LYS A 117 71.501 2.353 10.797 1.00 0.00 C ATOM 1334 CD LYS A 117 70.488 2.207 11.936 1.00 0.00 C ATOM 1335 CE LYS A 117 71.193 2.424 13.276 1.00 0.00 C ATOM 1336 NZ LYS A 117 70.107 2.802 14.224 1.00 0.00 N ATOM 0 H LYS A 117 71.902 -0.123 7.782 1.00 0.00 H new ATOM 0 HA LYS A 117 73.537 1.774 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 117 70.781 1.100 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.289 0.210 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 117 72.491 2.565 11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 117 71.229 3.195 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 117 69.682 2.931 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 117 70.034 1.217 11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 117 71.706 1.520 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 117 71.946 3.209 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 70.512 2.968 15.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.641 3.670 13.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 69.409 2.033 14.277 1.00 0.00 H new ATOM 1350 N THR A 118 74.592 0.066 10.930 1.00 0.00 N ATOM 1351 CA THR A 118 75.353 -0.998 11.647 1.00 0.00 C ATOM 1352 C THR A 118 75.582 -0.592 13.105 1.00 0.00 C ATOM 1353 O THR A 118 75.130 -1.249 14.021 1.00 0.00 O ATOM 1354 CB THR A 118 76.685 -1.105 10.903 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.507 0.001 11.248 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.433 -1.104 9.394 1.00 0.00 C ATOM 0 H THR A 118 74.852 1.023 11.170 1.00 0.00 H new ATOM 0 HA THR A 118 74.819 -1.948 11.662 1.00 0.00 H new ATOM 0 HB THR A 118 77.184 -2.032 11.184 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.284 0.765 10.676 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.384 -1.180 8.866 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.802 -1.953 9.130 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.933 -0.178 9.109 1.00 0.00 H new ATOM 1364 N LYS A 119 76.281 0.488 13.324 1.00 0.00 N ATOM 1365 CA LYS A 119 76.539 0.937 14.723 1.00 0.00 C ATOM 1366 C LYS A 119 77.045 2.382 14.728 1.00 0.00 C ATOM 1367 O LYS A 119 77.889 2.752 15.519 1.00 0.00 O ATOM 1368 CB LYS A 119 77.614 -0.013 15.252 1.00 0.00 C ATOM 1369 CG LYS A 119 77.205 -0.528 16.633 1.00 0.00 C ATOM 1370 CD LYS A 119 77.486 -2.029 16.714 1.00 0.00 C ATOM 1371 CE LYS A 119 76.213 -2.767 17.135 1.00 0.00 C ATOM 1372 NZ LYS A 119 75.516 -3.088 15.856 1.00 0.00 N ATOM 0 H LYS A 119 76.684 1.078 12.597 1.00 0.00 H new ATOM 0 HA LYS A 119 75.639 0.915 15.338 1.00 0.00 H new ATOM 0 HB2 LYS A 119 77.746 -0.849 14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 119 78.572 0.503 15.314 1.00 0.00 H new ATOM 0 HG2 LYS A 119 77.758 0.000 17.410 1.00 0.00 H new ATOM 0 HG3 LYS A 119 76.147 -0.334 16.808 1.00 0.00 H new ATOM 0 HD2 LYS A 119 77.830 -2.398 15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 119 78.284 -2.222 17.431 1.00 0.00 H new ATOM 0 HE2 LYS A 119 76.448 -3.672 17.695 1.00 0.00 H new ATOM 0 HE3 LYS A 119 75.591 -2.146 17.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 74.553 -3.425 16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 75.466 -2.234 15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 76.042 -3.829 15.350 1.00 0.00 H new ATOM 1386 N PHE A 120 76.534 3.200 13.848 1.00 0.00 N ATOM 1387 CA PHE A 120 76.983 4.622 13.802 1.00 0.00 C ATOM 1388 C PHE A 120 75.960 5.472 13.042 1.00 0.00 C ATOM 1389 O PHE A 120 75.508 6.491 13.523 1.00 0.00 O ATOM 1390 CB PHE A 120 78.317 4.592 13.056 1.00 0.00 C ATOM 1391 CG PHE A 120 79.407 5.117 13.960 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.093 4.243 14.810 1.00 0.00 C ATOM 1393 CD2 PHE A 120 79.729 6.480 13.948 1.00 0.00 C ATOM 1394 CE1 PHE A 120 81.103 4.731 15.649 1.00 0.00 C ATOM 1395 CE2 PHE A 120 80.739 6.968 14.787 1.00 0.00 C ATOM 1396 CZ PHE A 120 81.425 6.093 15.637 1.00 0.00 C ATOM 0 H PHE A 120 75.826 2.946 13.159 1.00 0.00 H new ATOM 0 HA PHE A 120 77.083 5.058 14.796 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.548 3.574 12.742 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.255 5.198 12.152 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.844 3.192 14.819 1.00 0.00 H new ATOM 0 HD2 PHE A 120 79.199 7.155 13.292 1.00 0.00 H new ATOM 0 HE1 PHE A 120 81.633 4.056 16.305 1.00 0.00 H new ATOM 0 HE2 PHE A 120 80.988 8.019 14.778 1.00 0.00 H new ATOM 0 HZ PHE A 120 82.204 6.469 16.284 1.00 0.00 H new ATOM 1406 N GLY A 121 75.593 5.059 11.859 1.00 0.00 N ATOM 1407 CA GLY A 121 74.601 5.845 11.073 1.00 0.00 C ATOM 1408 C GLY A 121 74.272 5.100 9.777 1.00 0.00 C ATOM 1409 O GLY A 121 73.970 3.923 9.784 1.00 0.00 O ATOM 0 H GLY A 121 75.937 4.213 11.404 1.00 0.00 H new ATOM 0 HA2 GLY A 121 73.694 5.996 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.002 6.833 10.846 1.00 0.00 H new ATOM 1413 N TYR A 122 74.329 5.777 8.662 1.00 0.00 N ATOM 1414 CA TYR A 122 74.019 5.108 7.366 1.00 0.00 C ATOM 1415 C TYR A 122 75.263 5.082 6.474 1.00 0.00 C ATOM 1416 O TYR A 122 75.747 6.106 6.036 1.00 0.00 O ATOM 1417 CB TYR A 122 72.924 5.965 6.732 1.00 0.00 C ATOM 1418 CG TYR A 122 71.608 5.680 7.414 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.136 4.366 7.501 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.861 6.730 7.960 1.00 0.00 C ATOM 1421 CE1 TYR A 122 69.916 4.099 8.135 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.640 6.465 8.594 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.169 5.150 8.681 1.00 0.00 C ATOM 1424 OH TYR A 122 67.967 4.888 9.306 1.00 0.00 O ATOM 0 H TYR A 122 74.577 6.764 8.593 1.00 0.00 H new ATOM 0 HA TYR A 122 73.702 4.074 7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.174 7.022 6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.849 5.749 5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 122 71.713 3.557 7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.226 7.744 7.893 1.00 0.00 H new ATOM 0 HE1 TYR A 122 69.552 3.084 8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.063 7.275 9.015 1.00 0.00 H new ATOM 0 HH TYR A 122 67.577 5.727 9.630 1.00 0.00 H new ATOM 1434 N HIS A 123 75.784 3.917 6.202 1.00 0.00 N ATOM 1435 CA HIS A 123 76.997 3.826 5.337 1.00 0.00 C ATOM 1436 C HIS A 123 76.620 3.270 3.962 1.00 0.00 C ATOM 1437 O HIS A 123 75.824 2.361 3.852 1.00 0.00 O ATOM 1438 CB HIS A 123 77.940 2.854 6.055 1.00 0.00 C ATOM 1439 CG HIS A 123 77.911 3.103 7.539 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.916 3.799 8.191 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.010 2.747 8.511 1.00 0.00 C ATOM 1442 CE1 HIS A 123 78.599 3.839 9.498 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.446 3.213 9.748 1.00 0.00 N ATOM 0 H HIS A 123 75.424 3.025 6.540 1.00 0.00 H new ATOM 0 HA HIS A 123 77.459 4.801 5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.643 1.826 5.845 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.956 2.976 5.678 1.00 0.00 H new ATOM 0 HD1 HIS A 123 79.745 4.207 7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.100 2.190 8.342 1.00 0.00 H new ATOM 0 HE1 HIS A 123 79.204 4.319 10.253 1.00 0.00 H new ATOM 1451 N ILE A 124 77.195 3.796 2.914 1.00 0.00 N ATOM 1452 CA ILE A 124 76.873 3.278 1.552 1.00 0.00 C ATOM 1453 C ILE A 124 77.836 2.145 1.204 1.00 0.00 C ATOM 1454 O ILE A 124 78.961 2.371 0.813 1.00 0.00 O ATOM 1455 CB ILE A 124 77.066 4.468 0.613 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.090 5.577 1.005 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.790 4.032 -0.827 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.351 6.813 0.145 1.00 0.00 C ATOM 0 H ILE A 124 77.871 4.559 2.941 1.00 0.00 H new ATOM 0 HA ILE A 124 75.861 2.879 1.479 1.00 0.00 H new ATOM 0 HB ILE A 124 78.090 4.834 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.063 5.237 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.208 5.824 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.928 4.881 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.480 3.235 -1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.765 3.669 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.655 7.604 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.373 7.157 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.211 6.561 -0.906 1.00 0.00 H new ATOM 1470 N ILE A 125 77.406 0.924 1.364 1.00 0.00 N ATOM 1471 CA ILE A 125 78.301 -0.225 1.073 1.00 0.00 C ATOM 1472 C ILE A 125 78.177 -0.667 -0.387 1.00 0.00 C ATOM 1473 O ILE A 125 77.136 -0.555 -1.003 1.00 0.00 O ATOM 1474 CB ILE A 125 77.817 -1.330 2.015 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.383 -1.089 3.415 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.290 -2.691 1.505 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.923 -2.213 4.346 1.00 0.00 C ATOM 0 H ILE A 125 76.470 0.674 1.685 1.00 0.00 H new ATOM 0 HA ILE A 125 79.352 0.024 1.223 1.00 0.00 H new ATOM 0 HB ILE A 125 76.728 -1.318 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.472 -1.054 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.045 -0.125 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.942 -3.473 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 125 77.886 -2.866 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.379 -2.705 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.324 -2.045 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.834 -2.226 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.282 -3.170 3.967 1.00 0.00 H new ATOM 1489 N MET A 126 79.246 -1.182 -0.926 1.00 0.00 N ATOM 1490 CA MET A 126 79.248 -1.660 -2.327 1.00 0.00 C ATOM 1491 C MET A 126 80.148 -2.898 -2.431 1.00 0.00 C ATOM 1492 O MET A 126 81.356 -2.807 -2.382 1.00 0.00 O ATOM 1493 CB MET A 126 79.789 -0.467 -3.159 1.00 0.00 C ATOM 1494 CG MET A 126 81.060 -0.844 -3.940 1.00 0.00 C ATOM 1495 SD MET A 126 81.284 0.294 -5.330 1.00 0.00 S ATOM 1496 CE MET A 126 81.505 1.807 -4.362 1.00 0.00 C ATOM 0 H MET A 126 80.136 -1.292 -0.439 1.00 0.00 H new ATOM 0 HA MET A 126 78.264 -1.960 -2.688 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.021 -0.132 -3.856 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.005 0.370 -2.496 1.00 0.00 H new ATOM 0 HG2 MET A 126 81.928 -0.804 -3.282 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.984 -1.868 -4.305 1.00 0.00 H new ATOM 0 HE1 MET A 126 80.783 2.556 -4.688 1.00 0.00 H new ATOM 0 HE2 MET A 126 81.350 1.589 -3.305 1.00 0.00 H new ATOM 0 HE3 MET A 126 82.515 2.189 -4.509 1.00 0.00 H new ATOM 1506 N VAL A 127 79.570 -4.050 -2.600 1.00 0.00 N ATOM 1507 CA VAL A 127 80.400 -5.276 -2.739 1.00 0.00 C ATOM 1508 C VAL A 127 80.697 -5.445 -4.223 1.00 0.00 C ATOM 1509 O VAL A 127 79.818 -5.291 -5.044 1.00 0.00 O ATOM 1510 CB VAL A 127 79.525 -6.415 -2.211 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.093 -7.758 -2.672 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.500 -6.370 -0.682 1.00 0.00 C ATOM 0 H VAL A 127 78.562 -4.197 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 127 81.345 -5.245 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 127 78.512 -6.301 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.467 -8.567 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 127 80.110 -7.791 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.107 -7.875 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.877 -7.181 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.514 -6.482 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.091 -5.415 -0.353 1.00 0.00 H new ATOM 1522 N GLU A 128 81.916 -5.716 -4.599 1.00 0.00 N ATOM 1523 CA GLU A 128 82.188 -5.833 -6.048 1.00 0.00 C ATOM 1524 C GLU A 128 83.334 -6.806 -6.327 1.00 0.00 C ATOM 1525 O GLU A 128 84.477 -6.458 -6.336 1.00 0.00 O ATOM 1526 CB GLU A 128 82.574 -4.422 -6.488 1.00 0.00 C ATOM 1527 CG GLU A 128 82.536 -4.337 -8.015 1.00 0.00 C ATOM 1528 CD GLU A 128 81.101 -4.550 -8.502 1.00 0.00 C ATOM 1529 OE1 GLU A 128 80.195 -4.407 -7.696 1.00 0.00 O ATOM 1530 OE2 GLU A 128 80.932 -4.854 -9.671 1.00 0.00 O ATOM 0 H GLU A 128 82.714 -5.858 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 128 81.323 -6.220 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 128 81.888 -3.694 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 128 83.571 -4.176 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 128 82.903 -3.365 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 128 83.194 -5.090 -8.448 1.00 0.00 H new ATOM 1537 N GLY A 129 83.033 -8.020 -6.560 1.00 0.00 N ATOM 1538 CA GLY A 129 84.103 -9.001 -6.865 1.00 0.00 C ATOM 1539 C GLY A 129 84.282 -9.936 -5.690 1.00 0.00 C ATOM 1540 O GLY A 129 84.983 -9.635 -4.746 1.00 0.00 O ATOM 0 H GLY A 129 82.085 -8.397 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 129 83.846 -9.569 -7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.038 -8.481 -7.075 1.00 0.00 H new ATOM 1544 N ARG A 130 83.658 -11.071 -5.730 1.00 0.00 N ATOM 1545 CA ARG A 130 83.815 -12.007 -4.597 1.00 0.00 C ATOM 1546 C ARG A 130 84.497 -13.297 -5.060 1.00 0.00 C ATOM 1547 O ARG A 130 84.676 -13.527 -6.239 1.00 0.00 O ATOM 1548 CB ARG A 130 82.400 -12.293 -4.099 1.00 0.00 C ATOM 1549 CG ARG A 130 81.585 -10.997 -4.075 1.00 0.00 C ATOM 1550 CD ARG A 130 80.201 -11.280 -3.486 1.00 0.00 C ATOM 1551 NE ARG A 130 79.373 -11.707 -4.648 1.00 0.00 N ATOM 1552 CZ ARG A 130 79.126 -12.974 -4.842 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.333 -13.616 -4.028 1.00 0.00 N ATOM 1554 NH2 ARG A 130 79.669 -13.598 -5.851 1.00 0.00 N ATOM 0 H ARG A 130 83.054 -11.388 -6.488 1.00 0.00 H new ATOM 0 HA ARG A 130 84.439 -11.586 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.918 -13.024 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.437 -12.728 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 130 82.099 -10.242 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.488 -10.596 -5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.247 -12.059 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.785 -10.393 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 130 78.999 -11.010 -5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 130 77.906 -13.128 -3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 130 78.140 -14.606 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 130 80.287 -13.096 -6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 130 79.476 -14.588 -6.002 1.00 0.00 H new ATOM 1568 N LYS A 131 84.875 -14.141 -4.140 1.00 0.00 N ATOM 1569 CA LYS A 131 85.543 -15.416 -4.527 1.00 0.00 C ATOM 1570 C LYS A 131 85.429 -16.439 -3.394 1.00 0.00 C ATOM 1571 O LYS A 131 86.132 -16.283 -2.409 1.00 0.00 O ATOM 1572 CB LYS A 131 87.006 -15.042 -4.766 1.00 0.00 C ATOM 1573 CG LYS A 131 87.509 -14.179 -3.608 1.00 0.00 C ATOM 1574 CD LYS A 131 88.736 -14.840 -2.976 1.00 0.00 C ATOM 1575 CE LYS A 131 89.960 -14.593 -3.860 1.00 0.00 C ATOM 1576 NZ LYS A 131 91.075 -14.342 -2.904 1.00 0.00 N ATOM 1577 OXT LYS A 131 84.639 -17.359 -3.530 1.00 0.00 O ATOM 0 H LYS A 131 84.750 -14.003 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 131 85.089 -15.867 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 131 87.613 -15.943 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 131 87.105 -14.500 -5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 131 87.764 -13.182 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 131 86.723 -14.058 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 131 88.907 -14.436 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 131 88.567 -15.911 -2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 131 90.170 -15.454 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 131 89.805 -13.740 -4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 91.952 -14.163 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 90.850 -13.513 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 91.202 -15.174 -2.293 1.00 0.00 H new TER 1591 LYS A 131