USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot -152:sc= -2.51 USER MOD Set 1.2: A 102 CYS SG : rot -167:sc= -4.87! USER MOD Set 1.3: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -1.41 K(o=-11,f=-14) USER MOD Set 1.5: A 116 HIS : no HE2:sc= -1.43 X(o=-11,f=-10!) USER MOD Set 1.6: A 119 HIS : no HD1:sc= -0.486 K(o=-11,f=-15) USER MOD Set 2.1: A 69 CYS SG : rot 80:sc= 2.24 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 172:sc= 0.298 (180deg=0) USER MOD Set 2.3: A 71 THR OG1 : rot 76:sc= 0.97 USER MOD Set 2.4: A 72 CYS SG : rot -50:sc= -0.876! USER MOD Set 2.5: A 85 HIS : no HD1:sc= -2.52 K(o=-1.1,f=-4.2) USER MOD Set 2.6: A 89 HIS : no HD1:sc= -1.23 K(o=-1.1,f=-2.1) USER MOD Set 3.1: A 68 GLN : amide:sc= -0.0977 K(o=0.025,f=-4.8!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -116:sc= 0.123 (180deg=0) USER MOD Set 4.1: A 39 CYS SG : rot -160:sc= 1.6 USER MOD Set 4.2: A 57 HIS : no HD1:sc= -1.64 K(o=1,f=-4.3!) USER MOD Set 4.3: A 58 GLN : amide:sc= 1.06 K(o=1,f=0.11) USER MOD Set 4.4: A 61 HIS : no HD1:sc= 0 X(o=1,f=0.61) USER MOD Set 5.1: A 9 CYS SG : rot -172:sc= 0.27 USER MOD Set 5.2: A 14 CYS SG : rot -174:sc= -2.69! USER MOD Set 5.3: A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00256) USER MOD Set 5.4: A 18 TYR OH : rot 180:sc= -0.108 USER MOD Set 5.5: A 27 HIS : no HE2:sc= -1.94 K(o=-7.5,f=-9.4) USER MOD Set 5.6: A 31 HIS : no HE2:sc= -2.99 K(o=-7.5,f=-11) USER MOD Single : A 8 MET CE :methyl -173:sc= -0.0371 (180deg=-0.155) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.237 K(o=0.24,f=-1.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0038 USER MOD Single : A 23 HIS : no HE2:sc= -2.7 K(o=-2.7,f=-6.9!) USER MOD Single : A 25 GLN : amide:sc= 1.06 K(o=1.1,f=-0.22) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 75:sc= 1.25 USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= 1.37 (180deg=-0.466) USER MOD Single : A 32 THR OG1 : rot -62:sc= 1.13 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.39 K(o=1.4,f=-2.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00559 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 53 GLN : amide:sc= 1.03 K(o=1,f=-6.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -41:sc= 2.06 USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00439) USER MOD Single : A 73 GLN : amide:sc= 0.488 K(o=0.49,f=-0.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00463 USER MOD Single : A 79 SER OG : rot 180:sc= 0.003 USER MOD Single : A 81 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.58) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 86 THR OG1 : rot 66:sc= 1.15 USER MOD Single : A 88 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 90 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 170:sc= -0.0389 USER MOD Single : A 101 SER OG : rot -43:sc= 1.19 USER MOD Single : A 103 GLN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 117 ASN : amide:sc= 1.23 K(o=1.2,f=-0.041) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 5.062 21.103 -8.762 1.00 0.00 N ATOM 98 CA PHE A 7 5.001 20.127 -7.663 1.00 0.00 C ATOM 99 C PHE A 7 6.245 19.239 -7.666 1.00 0.00 C ATOM 100 O PHE A 7 6.790 18.955 -8.709 1.00 0.00 O ATOM 101 CB PHE A 7 3.745 19.252 -7.805 1.00 0.00 C ATOM 102 CG PHE A 7 2.421 19.979 -7.686 1.00 0.00 C ATOM 103 CD1 PHE A 7 1.822 20.147 -6.426 1.00 0.00 C ATOM 104 CD2 PHE A 7 1.773 20.475 -8.829 1.00 0.00 C ATOM 105 CE1 PHE A 7 0.597 20.824 -6.302 1.00 0.00 C ATOM 106 CE2 PHE A 7 0.550 21.160 -8.709 1.00 0.00 C ATOM 107 CZ PHE A 7 -0.026 21.354 -7.444 1.00 0.00 C ATOM 0 HA PHE A 7 4.958 20.672 -6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 7 3.779 18.754 -8.774 1.00 0.00 H new ATOM 0 HB3 PHE A 7 3.780 18.472 -7.044 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.307 19.752 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.215 20.330 -9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.136 20.937 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.054 21.537 -9.591 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.947 21.910 -7.349 1.00 0.00 H new ATOM 117 N MET A 8 6.743 18.884 -6.482 1.00 0.00 N ATOM 118 CA MET A 8 7.795 17.849 -6.367 1.00 0.00 C ATOM 119 C MET A 8 7.507 16.893 -5.225 1.00 0.00 C ATOM 120 O MET A 8 6.927 17.276 -4.204 1.00 0.00 O ATOM 121 CB MET A 8 9.181 18.487 -6.184 1.00 0.00 C ATOM 122 CG MET A 8 9.401 19.223 -4.856 1.00 0.00 C ATOM 123 SD MET A 8 11.066 19.920 -4.667 1.00 0.00 S ATOM 124 CE MET A 8 12.035 18.402 -4.442 1.00 0.00 C ATOM 0 H MET A 8 6.446 19.286 -5.593 1.00 0.00 H new ATOM 0 HA MET A 8 7.793 17.282 -7.298 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.936 17.706 -6.275 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.349 19.189 -7.000 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.670 20.027 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.211 18.533 -4.034 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.063 18.661 -4.188 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.601 17.809 -3.637 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.024 17.823 -5.365 1.00 0.00 H new ATOM 134 N CYS A 9 7.988 15.663 -5.377 1.00 0.00 N ATOM 135 CA CYS A 9 7.988 14.690 -4.291 1.00 0.00 C ATOM 136 C CYS A 9 9.044 15.075 -3.223 1.00 0.00 C ATOM 137 O CYS A 9 9.913 15.919 -3.469 1.00 0.00 O ATOM 138 CB CYS A 9 8.294 13.290 -4.856 1.00 0.00 C ATOM 139 SG CYS A 9 8.256 12.016 -3.571 1.00 0.00 S ATOM 0 H CYS A 9 8.386 15.315 -6.249 1.00 0.00 H new ATOM 0 HA CYS A 9 7.006 14.682 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.567 13.045 -5.631 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.275 13.297 -5.330 1.00 0.00 H new ATOM 0 HG CYS A 9 8.681 10.890 -4.063 1.00 0.00 H new ATOM 144 N ALA A 10 8.969 14.429 -2.055 1.00 0.00 N ATOM 145 CA ALA A 10 9.928 14.663 -0.969 1.00 0.00 C ATOM 146 C ALA A 10 10.584 13.339 -0.502 1.00 0.00 C ATOM 147 O ALA A 10 11.443 13.346 0.383 1.00 0.00 O ATOM 148 CB ALA A 10 9.218 15.341 0.207 1.00 0.00 C ATOM 0 H ALA A 10 8.252 13.738 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 10 10.718 15.314 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.932 15.514 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.802 16.294 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.414 14.698 0.566 1.00 0.00 H new ATOM 154 N TYR A 11 10.179 12.207 -1.109 1.00 0.00 N ATOM 155 CA TYR A 11 10.780 10.912 -0.796 1.00 0.00 C ATOM 156 C TYR A 11 12.241 10.865 -1.305 1.00 0.00 C ATOM 157 O TYR A 11 12.494 11.109 -2.482 1.00 0.00 O ATOM 158 CB TYR A 11 9.969 9.785 -1.434 1.00 0.00 C ATOM 159 CG TYR A 11 10.457 8.431 -0.964 1.00 0.00 C ATOM 160 CD1 TYR A 11 10.346 8.098 0.394 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.157 7.576 -1.833 1.00 0.00 C ATOM 162 CE1 TYR A 11 11.070 7.006 0.899 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.772 6.412 -1.352 1.00 0.00 C ATOM 164 CZ TYR A 11 11.787 6.157 0.032 1.00 0.00 C ATOM 165 OH TYR A 11 12.533 5.132 0.519 1.00 0.00 O ATOM 0 H TYR A 11 9.442 12.171 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 11 10.778 10.779 0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.915 9.903 -1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.046 9.846 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.709 8.677 1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.222 7.819 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.078 6.815 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.231 5.716 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 11 12.956 4.653 -0.224 1.00 0.00 H new ATOM 175 N PRO A 12 13.219 10.579 -0.405 1.00 0.00 N ATOM 176 CA PRO A 12 14.654 10.640 -0.736 1.00 0.00 C ATOM 177 C PRO A 12 15.036 9.826 -1.994 1.00 0.00 C ATOM 178 O PRO A 12 15.991 10.172 -2.689 1.00 0.00 O ATOM 179 CB PRO A 12 15.335 10.055 0.506 1.00 0.00 C ATOM 180 CG PRO A 12 14.397 10.432 1.649 1.00 0.00 C ATOM 181 CD PRO A 12 13.012 10.318 1.016 1.00 0.00 C ATOM 0 HA PRO A 12 14.957 11.660 -0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.453 8.974 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 12 16.331 10.474 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.508 9.759 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.591 11.441 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.586 9.328 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.319 11.038 1.452 1.00 0.00 H new ATOM 189 N GLY A 13 14.270 8.761 -2.286 1.00 0.00 N ATOM 190 CA GLY A 13 14.557 7.905 -3.455 1.00 0.00 C ATOM 191 C GLY A 13 13.905 8.431 -4.754 1.00 0.00 C ATOM 192 O GLY A 13 14.035 7.812 -5.810 1.00 0.00 O ATOM 0 H GLY A 13 13.458 8.473 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.636 7.839 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.199 6.895 -3.257 1.00 0.00 H new ATOM 196 N CYS A 14 13.182 9.556 -4.650 1.00 0.00 N ATOM 197 CA CYS A 14 12.451 10.131 -5.782 1.00 0.00 C ATOM 198 C CYS A 14 12.766 11.637 -5.926 1.00 0.00 C ATOM 199 O CYS A 14 13.684 12.018 -6.661 1.00 0.00 O ATOM 200 CB CYS A 14 10.946 9.920 -5.577 1.00 0.00 C ATOM 201 SG CYS A 14 9.943 10.797 -6.796 1.00 0.00 S ATOM 0 H CYS A 14 13.090 10.087 -3.784 1.00 0.00 H new ATOM 0 HA CYS A 14 12.765 9.630 -6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.723 8.854 -5.629 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.670 10.255 -4.577 1.00 0.00 H new ATOM 0 HG CYS A 14 8.686 10.683 -6.486 1.00 0.00 H new ATOM 206 N ASN A 15 12.023 12.479 -5.184 1.00 0.00 N ATOM 207 CA ASN A 15 12.209 13.946 -5.212 1.00 0.00 C ATOM 208 C ASN A 15 11.932 14.530 -6.636 1.00 0.00 C ATOM 209 O ASN A 15 12.446 15.599 -6.983 1.00 0.00 O ATOM 210 CB ASN A 15 13.656 14.315 -4.766 1.00 0.00 C ATOM 211 CG ASN A 15 14.324 13.443 -3.704 1.00 0.00 C ATOM 212 OD1 ASN A 15 14.272 13.714 -2.513 1.00 0.00 O ATOM 213 ND2 ASN A 15 15.029 12.415 -4.142 1.00 0.00 N ATOM 0 H ASN A 15 11.284 12.168 -4.554 1.00 0.00 H new ATOM 0 HA ASN A 15 11.492 14.384 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.291 14.307 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.640 15.340 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.543 11.831 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.060 12.206 -5.140 1.00 0.00 H new ATOM 220 N LYS A 16 11.131 13.812 -7.450 1.00 0.00 N ATOM 221 CA LYS A 16 10.858 14.227 -8.841 1.00 0.00 C ATOM 222 C LYS A 16 9.777 15.276 -8.889 1.00 0.00 C ATOM 223 O LYS A 16 9.091 15.512 -7.904 1.00 0.00 O ATOM 224 CB LYS A 16 10.429 13.002 -9.689 1.00 0.00 C ATOM 225 CG LYS A 16 11.509 12.523 -10.672 1.00 0.00 C ATOM 226 CD LYS A 16 12.771 11.937 -10.019 1.00 0.00 C ATOM 227 CE LYS A 16 12.488 10.731 -9.121 1.00 0.00 C ATOM 228 NZ LYS A 16 11.888 9.593 -9.844 1.00 0.00 N ATOM 0 H LYS A 16 10.665 12.949 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 16 11.774 14.652 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.169 12.181 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.528 13.255 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.073 11.768 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.802 13.362 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.472 11.642 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.259 12.713 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.419 10.407 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.818 11.035 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.737 8.803 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.976 9.883 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.528 9.290 -10.606 1.00 0.00 H new ATOM 242 N ARG A 17 9.628 15.917 -10.056 1.00 0.00 N ATOM 243 CA ARG A 17 8.725 17.049 -10.196 1.00 0.00 C ATOM 244 C ARG A 17 7.489 16.682 -11.047 1.00 0.00 C ATOM 245 O ARG A 17 7.607 16.089 -12.118 1.00 0.00 O ATOM 246 CB ARG A 17 9.467 18.234 -10.837 1.00 0.00 C ATOM 247 CG ARG A 17 10.697 18.727 -10.052 1.00 0.00 C ATOM 248 CD ARG A 17 11.464 19.817 -10.817 1.00 0.00 C ATOM 249 NE ARG A 17 10.609 20.968 -11.158 1.00 0.00 N ATOM 250 CZ ARG A 17 10.765 21.805 -12.179 1.00 0.00 C ATOM 251 NH1 ARG A 17 11.825 21.800 -12.958 1.00 0.00 N ATOM 252 NH2 ARG A 17 9.814 22.669 -12.437 1.00 0.00 N ATOM 0 H ARG A 17 10.124 15.665 -10.911 1.00 0.00 H new ATOM 0 HA ARG A 17 8.379 17.329 -9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.785 17.946 -11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.769 19.064 -10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.379 19.117 -9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.362 17.886 -9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.305 20.158 -10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.879 19.392 -11.731 1.00 0.00 H new ATOM 0 HE ARG A 17 9.812 21.141 -10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.577 21.132 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.895 22.465 -13.729 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.974 22.690 -11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.914 23.320 -13.216 1.00 0.00 H new ATOM 266 N TYR A 18 6.316 17.073 -10.548 1.00 0.00 N ATOM 267 CA TYR A 18 5.035 16.783 -11.165 1.00 0.00 C ATOM 268 C TYR A 18 4.299 18.092 -11.550 1.00 0.00 C ATOM 269 O TYR A 18 4.664 19.188 -11.091 1.00 0.00 O ATOM 270 CB TYR A 18 4.177 15.992 -10.176 1.00 0.00 C ATOM 271 CG TYR A 18 4.673 14.598 -9.857 1.00 0.00 C ATOM 272 CD1 TYR A 18 5.733 14.402 -8.950 1.00 0.00 C ATOM 273 CD2 TYR A 18 4.089 13.488 -10.487 1.00 0.00 C ATOM 274 CE1 TYR A 18 6.241 13.108 -8.733 1.00 0.00 C ATOM 275 CE2 TYR A 18 4.664 12.214 -10.352 1.00 0.00 C ATOM 276 CZ TYR A 18 5.785 12.036 -9.519 1.00 0.00 C ATOM 277 OH TYR A 18 6.450 10.851 -9.493 1.00 0.00 O ATOM 0 H TYR A 18 6.235 17.611 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 18 5.203 16.202 -12.072 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.110 16.557 -9.246 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.166 15.917 -10.577 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.155 15.244 -8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.194 13.614 -11.078 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.980 12.939 -7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.247 11.373 -10.886 1.00 0.00 H new ATOM 0 HH TYR A 18 6.006 10.214 -10.091 1.00 0.00 H new ATOM 287 N PHE A 19 3.223 17.955 -12.343 1.00 0.00 N ATOM 288 CA PHE A 19 2.414 19.106 -12.769 1.00 0.00 C ATOM 289 C PHE A 19 0.994 19.034 -12.186 1.00 0.00 C ATOM 290 O PHE A 19 0.509 19.997 -11.601 1.00 0.00 O ATOM 291 CB PHE A 19 2.339 19.152 -14.305 1.00 0.00 C ATOM 292 CG PHE A 19 1.417 20.232 -14.847 1.00 0.00 C ATOM 293 CD1 PHE A 19 1.658 21.584 -14.536 1.00 0.00 C ATOM 294 CD2 PHE A 19 0.295 19.888 -15.626 1.00 0.00 C ATOM 295 CE1 PHE A 19 0.767 22.582 -14.969 1.00 0.00 C ATOM 296 CE2 PHE A 19 -0.586 20.888 -16.077 1.00 0.00 C ATOM 297 CZ PHE A 19 -0.354 22.234 -15.743 1.00 0.00 C ATOM 0 H PHE A 19 2.895 17.058 -12.701 1.00 0.00 H new ATOM 0 HA PHE A 19 2.892 20.012 -12.396 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.341 19.311 -14.703 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.001 18.183 -14.671 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.532 21.856 -13.962 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.111 18.854 -15.878 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.944 23.615 -14.707 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.441 20.622 -16.680 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.036 23.000 -16.081 1.00 0.00 H new ATOM 307 N LYS A 20 0.318 17.895 -12.391 1.00 0.00 N ATOM 308 CA LYS A 20 -1.055 17.707 -11.904 1.00 0.00 C ATOM 309 C LYS A 20 -1.062 17.418 -10.395 1.00 0.00 C ATOM 310 O LYS A 20 -0.551 16.398 -9.947 1.00 0.00 O ATOM 311 CB LYS A 20 -1.727 16.549 -12.663 1.00 0.00 C ATOM 312 CG LYS A 20 -2.391 17.065 -13.950 1.00 0.00 C ATOM 313 CD LYS A 20 -3.079 15.949 -14.749 1.00 0.00 C ATOM 314 CE LYS A 20 -2.068 14.972 -15.359 1.00 0.00 C ATOM 315 NZ LYS A 20 -2.748 13.931 -16.156 1.00 0.00 N ATOM 0 H LYS A 20 0.699 17.091 -12.890 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.613 18.626 -12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.986 15.788 -12.908 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.473 16.073 -12.027 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.125 17.829 -13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.638 17.543 -14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.761 15.404 -14.097 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.681 16.390 -15.543 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.366 15.517 -15.990 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.486 14.504 -14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.040 13.283 -16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.400 13.397 -15.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.284 14.379 -16.927 1.00 0.00 H new ATOM 329 N LEU A 21 -1.704 18.302 -9.633 1.00 0.00 N ATOM 330 CA LEU A 21 -1.798 18.150 -8.169 1.00 0.00 C ATOM 331 C LEU A 21 -2.234 16.708 -7.791 1.00 0.00 C ATOM 332 O LEU A 21 -1.598 16.057 -6.971 1.00 0.00 O ATOM 333 CB LEU A 21 -2.805 19.176 -7.601 1.00 0.00 C ATOM 334 CG LEU A 21 -2.987 19.120 -6.065 1.00 0.00 C ATOM 335 CD1 LEU A 21 -3.167 20.519 -5.463 1.00 0.00 C ATOM 336 CD2 LEU A 21 -4.233 18.319 -5.666 1.00 0.00 C ATOM 0 H LEU A 21 -2.169 19.133 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.814 18.333 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.478 20.178 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.774 19.015 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.082 18.645 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.292 20.437 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.288 21.125 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.050 20.990 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.324 18.304 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.119 18.785 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.143 17.298 -6.036 1.00 0.00 H new ATOM 348 N SER A 22 -3.309 16.228 -8.427 1.00 0.00 N ATOM 349 CA SER A 22 -3.861 14.876 -8.168 1.00 0.00 C ATOM 350 C SER A 22 -2.920 13.758 -8.642 1.00 0.00 C ATOM 351 O SER A 22 -2.851 12.698 -8.025 1.00 0.00 O ATOM 352 CB SER A 22 -5.212 14.731 -8.871 1.00 0.00 C ATOM 353 OG SER A 22 -5.116 15.122 -10.231 1.00 0.00 O ATOM 0 H SER A 22 -3.824 16.755 -9.132 1.00 0.00 H new ATOM 0 HA SER A 22 -3.977 14.774 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.551 13.697 -8.808 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.959 15.342 -8.364 1.00 0.00 H new ATOM 0 HG SER A 22 -5.990 15.020 -10.663 1.00 0.00 H new ATOM 359 N HIS A 23 -2.225 13.993 -9.755 1.00 0.00 N ATOM 360 CA HIS A 23 -1.300 12.981 -10.279 1.00 0.00 C ATOM 361 C HIS A 23 -0.086 12.848 -9.346 1.00 0.00 C ATOM 362 O HIS A 23 0.370 11.739 -9.062 1.00 0.00 O ATOM 363 CB HIS A 23 -0.872 13.331 -11.734 1.00 0.00 C ATOM 364 CG HIS A 23 0.483 13.795 -12.252 1.00 0.00 C ATOM 365 ND1 HIS A 23 0.994 13.390 -13.471 1.00 0.00 N ATOM 366 CD2 HIS A 23 1.223 14.887 -11.885 1.00 0.00 C ATOM 367 CE1 HIS A 23 1.985 14.228 -13.827 1.00 0.00 C ATOM 368 NE2 HIS A 23 2.145 15.176 -12.896 1.00 0.00 N ATOM 0 H HIS A 23 -2.280 14.852 -10.302 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.806 12.016 -10.313 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.101 12.437 -12.314 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.571 14.105 -12.052 1.00 0.00 H new ATOM 0 HD1 HIS A 23 0.673 12.587 -14.012 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.112 15.437 -10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.567 14.147 -14.733 1.00 0.00 H new ATOM 376 N LEU A 24 0.330 13.976 -8.760 1.00 0.00 N ATOM 377 CA LEU A 24 1.360 13.967 -7.729 1.00 0.00 C ATOM 378 C LEU A 24 0.816 13.395 -6.383 1.00 0.00 C ATOM 379 O LEU A 24 1.519 12.659 -5.686 1.00 0.00 O ATOM 380 CB LEU A 24 1.902 15.380 -7.518 1.00 0.00 C ATOM 381 CG LEU A 24 3.099 15.545 -6.542 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.647 16.097 -5.185 1.00 0.00 C ATOM 383 CD2 LEU A 24 3.986 14.313 -6.299 1.00 0.00 C ATOM 0 H LEU A 24 -0.033 14.902 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 24 2.167 13.317 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.201 15.775 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.085 16.005 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 24 3.731 16.253 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.511 16.199 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.181 17.072 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.928 15.413 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.781 14.569 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.382 13.506 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.424 13.989 -7.243 1.00 0.00 H new ATOM 395 N GLN A 25 -0.449 13.694 -6.053 1.00 0.00 N ATOM 396 CA GLN A 25 -1.091 13.099 -4.868 1.00 0.00 C ATOM 397 C GLN A 25 -1.096 11.578 -4.984 1.00 0.00 C ATOM 398 O GLN A 25 -0.649 10.882 -4.076 1.00 0.00 O ATOM 399 CB GLN A 25 -2.541 13.609 -4.718 1.00 0.00 C ATOM 400 CG GLN A 25 -2.778 15.036 -4.195 1.00 0.00 C ATOM 401 CD GLN A 25 -1.570 15.720 -3.567 1.00 0.00 C ATOM 402 OE1 GLN A 25 -1.350 15.675 -2.365 1.00 0.00 O ATOM 403 NE2 GLN A 25 -0.753 16.356 -4.379 1.00 0.00 N ATOM 0 H GLN A 25 -1.042 14.335 -6.580 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.521 13.395 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.020 13.532 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.064 12.923 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.132 15.652 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.579 15.004 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.949 16.385 -5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.076 16.820 -4.008 1.00 0.00 H new ATOM 412 N MET A 26 -1.528 11.073 -6.147 1.00 0.00 N ATOM 413 CA MET A 26 -1.490 9.644 -6.436 1.00 0.00 C ATOM 414 C MET A 26 -0.056 9.103 -6.306 1.00 0.00 C ATOM 415 O MET A 26 0.187 8.142 -5.572 1.00 0.00 O ATOM 416 CB MET A 26 -2.028 9.385 -7.856 1.00 0.00 C ATOM 417 CG MET A 26 -2.216 7.900 -8.169 1.00 0.00 C ATOM 418 SD MET A 26 -0.736 7.038 -8.756 1.00 0.00 S ATOM 419 CE MET A 26 -1.403 5.362 -8.897 1.00 0.00 C ATOM 0 H MET A 26 -1.909 11.642 -6.903 1.00 0.00 H new ATOM 0 HA MET A 26 -2.119 9.124 -5.714 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.982 9.898 -7.975 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.340 9.818 -8.582 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.575 7.399 -7.270 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.997 7.801 -8.923 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.622 4.688 -9.250 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.757 5.028 -7.922 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.232 5.359 -9.605 1.00 0.00 H new ATOM 429 N HIS A 27 0.911 9.817 -6.908 1.00 0.00 N ATOM 430 CA HIS A 27 2.312 9.394 -6.872 1.00 0.00 C ATOM 431 C HIS A 27 2.796 9.262 -5.425 1.00 0.00 C ATOM 432 O HIS A 27 3.434 8.272 -5.063 1.00 0.00 O ATOM 433 CB HIS A 27 3.198 10.428 -7.615 1.00 0.00 C ATOM 434 CG HIS A 27 4.630 10.217 -7.231 1.00 0.00 C ATOM 435 ND1 HIS A 27 5.363 9.061 -7.416 1.00 0.00 N ATOM 436 CD2 HIS A 27 5.348 11.049 -6.423 1.00 0.00 C ATOM 437 CE1 HIS A 27 6.517 9.212 -6.746 1.00 0.00 C ATOM 438 NE2 HIS A 27 6.548 10.417 -6.170 1.00 0.00 N ATOM 0 H HIS A 27 0.745 10.683 -7.421 1.00 0.00 H new ATOM 0 HA HIS A 27 2.390 8.425 -7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.078 10.319 -8.693 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.886 11.441 -7.361 1.00 0.00 H new ATOM 0 HD1 HIS A 27 5.081 8.245 -7.960 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.037 12.015 -6.053 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.301 8.472 -6.682 1.00 0.00 H new ATOM 446 N SER A 28 2.404 10.216 -4.583 1.00 0.00 N ATOM 447 CA SER A 28 2.860 10.266 -3.202 1.00 0.00 C ATOM 448 C SER A 28 2.470 8.985 -2.442 1.00 0.00 C ATOM 449 O SER A 28 3.273 8.440 -1.671 1.00 0.00 O ATOM 450 CB SER A 28 2.240 11.489 -2.504 1.00 0.00 C ATOM 451 OG SER A 28 2.516 12.684 -3.217 1.00 0.00 O ATOM 0 H SER A 28 1.766 10.969 -4.839 1.00 0.00 H new ATOM 0 HA SER A 28 3.947 10.346 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.162 11.354 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.632 11.569 -1.490 1.00 0.00 H new ATOM 0 HG SER A 28 1.954 12.724 -4.019 1.00 0.00 H new ATOM 457 N ARG A 29 1.273 8.441 -2.750 1.00 0.00 N ATOM 458 CA ARG A 29 0.790 7.207 -2.100 1.00 0.00 C ATOM 459 C ARG A 29 1.797 6.068 -2.288 1.00 0.00 C ATOM 460 O ARG A 29 1.980 5.245 -1.392 1.00 0.00 O ATOM 461 CB ARG A 29 -0.595 6.797 -2.649 1.00 0.00 C ATOM 462 CG ARG A 29 -1.756 7.501 -1.902 1.00 0.00 C ATOM 463 CD ARG A 29 -1.861 8.998 -2.211 1.00 0.00 C ATOM 464 NE ARG A 29 -2.786 9.732 -1.330 1.00 0.00 N ATOM 465 CZ ARG A 29 -2.747 11.049 -1.109 1.00 0.00 C ATOM 466 NH1 ARG A 29 -1.885 11.839 -1.717 1.00 0.00 N ATOM 467 NH2 ARG A 29 -3.537 11.609 -0.225 1.00 0.00 N ATOM 0 H ARG A 29 0.630 8.833 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 29 0.687 7.408 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.649 7.039 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.712 5.717 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.696 7.016 -2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.621 7.368 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.870 9.445 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.185 9.123 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.510 9.195 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.217 11.449 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.886 12.840 -1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.194 11.038 0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.494 12.616 -0.068 1.00 0.00 H new ATOM 481 N LYS A 30 2.420 6.005 -3.480 1.00 0.00 N ATOM 482 CA LYS A 30 3.345 4.914 -3.820 1.00 0.00 C ATOM 483 C LYS A 30 4.492 4.799 -2.794 1.00 0.00 C ATOM 484 O LYS A 30 4.972 3.700 -2.525 1.00 0.00 O ATOM 485 CB LYS A 30 3.944 5.144 -5.221 1.00 0.00 C ATOM 486 CG LYS A 30 2.916 5.201 -6.361 1.00 0.00 C ATOM 487 CD LYS A 30 3.617 4.924 -7.703 1.00 0.00 C ATOM 488 CE LYS A 30 2.667 4.993 -8.901 1.00 0.00 C ATOM 489 NZ LYS A 30 2.350 6.383 -9.275 1.00 0.00 N ATOM 0 H LYS A 30 2.298 6.696 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 30 2.774 3.986 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.507 6.078 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.655 4.345 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.129 4.466 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.438 6.180 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.421 5.647 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.078 3.937 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.119 4.483 -9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.745 4.462 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.332 6.468 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.419 6.643 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.075 7.021 -8.888 1.00 0.00 H new ATOM 503 N HIS A 31 4.939 5.940 -2.231 1.00 0.00 N ATOM 504 CA HIS A 31 6.110 5.937 -1.325 1.00 0.00 C ATOM 505 C HIS A 31 5.730 5.438 0.081 1.00 0.00 C ATOM 506 O HIS A 31 6.592 5.000 0.833 1.00 0.00 O ATOM 507 CB HIS A 31 6.731 7.337 -1.241 1.00 0.00 C ATOM 508 CG HIS A 31 7.525 7.617 -2.497 1.00 0.00 C ATOM 509 ND1 HIS A 31 8.458 6.761 -3.045 1.00 0.00 N ATOM 510 CD2 HIS A 31 7.506 8.752 -3.265 1.00 0.00 C ATOM 511 CE1 HIS A 31 9.010 7.381 -4.097 1.00 0.00 C ATOM 512 NE2 HIS A 31 8.475 8.590 -4.260 1.00 0.00 N ATOM 0 H HIS A 31 4.519 6.857 -2.382 1.00 0.00 H new ATOM 0 HA HIS A 31 6.847 5.249 -1.740 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.949 8.086 -1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.378 7.407 -0.367 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.686 5.825 -2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.864 9.609 -3.128 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.781 6.959 -4.725 1.00 0.00 H new ATOM 520 N THR A 32 4.434 5.507 0.432 1.00 0.00 N ATOM 521 CA THR A 32 3.964 5.014 1.753 1.00 0.00 C ATOM 522 C THR A 32 4.335 3.518 1.985 1.00 0.00 C ATOM 523 O THR A 32 4.281 3.036 3.113 1.00 0.00 O ATOM 524 CB THR A 32 2.435 5.161 1.880 1.00 0.00 C ATOM 525 OG1 THR A 32 1.750 4.338 0.965 1.00 0.00 O ATOM 526 CG2 THR A 32 1.959 6.604 1.685 1.00 0.00 C ATOM 0 H THR A 32 3.700 5.891 -0.163 1.00 0.00 H new ATOM 0 HA THR A 32 4.465 5.623 2.505 1.00 0.00 H new ATOM 0 HB THR A 32 2.204 4.850 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.977 4.607 0.050 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.874 6.646 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.418 7.244 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.245 6.950 0.692 1.00 0.00 H new ATOM 592 N TYR A 37 8.596 -2.058 8.567 1.00 0.00 N ATOM 593 CA TYR A 37 8.150 -2.394 9.939 1.00 0.00 C ATOM 594 C TYR A 37 8.528 -3.849 10.283 1.00 0.00 C ATOM 595 O TYR A 37 8.749 -4.659 9.392 1.00 0.00 O ATOM 596 CB TYR A 37 6.614 -2.219 10.069 1.00 0.00 C ATOM 597 CG TYR A 37 5.933 -1.007 9.449 1.00 0.00 C ATOM 598 CD1 TYR A 37 5.879 -0.875 8.058 1.00 0.00 C ATOM 599 CD2 TYR A 37 5.308 -0.026 10.244 1.00 0.00 C ATOM 600 CE1 TYR A 37 5.352 0.285 7.473 1.00 0.00 C ATOM 601 CE2 TYR A 37 4.733 1.126 9.665 1.00 0.00 C ATOM 602 CZ TYR A 37 4.766 1.286 8.263 1.00 0.00 C ATOM 603 OH TYR A 37 4.192 2.351 7.642 1.00 0.00 O ATOM 0 HA TYR A 37 8.648 -1.717 10.633 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.149 -3.107 9.641 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.377 -2.216 11.133 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.246 -1.673 7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.268 -0.158 11.315 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.398 0.410 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.272 1.878 10.289 1.00 0.00 H new ATOM 0 HH TYR A 37 3.826 2.963 8.314 1.00 0.00 H new ATOM 613 N GLN A 38 8.551 -4.177 11.585 1.00 0.00 N ATOM 614 CA GLN A 38 8.703 -5.579 12.035 1.00 0.00 C ATOM 615 C GLN A 38 7.674 -5.922 13.113 1.00 0.00 C ATOM 616 O GLN A 38 7.233 -5.048 13.864 1.00 0.00 O ATOM 617 CB GLN A 38 10.124 -5.814 12.577 1.00 0.00 C ATOM 618 CG GLN A 38 10.518 -5.154 13.915 1.00 0.00 C ATOM 619 CD GLN A 38 11.524 -6.032 14.653 1.00 0.00 C ATOM 620 OE1 GLN A 38 12.731 -5.857 14.562 1.00 0.00 O ATOM 621 NE2 GLN A 38 11.059 -7.036 15.371 1.00 0.00 N ATOM 0 H GLN A 38 8.467 -3.500 12.343 1.00 0.00 H new ATOM 0 HA GLN A 38 8.534 -6.229 11.176 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.265 -6.890 12.683 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.829 -5.473 11.819 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.948 -4.169 13.732 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.632 -5.005 14.532 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.053 -7.184 15.449 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.706 -7.664 15.849 1.00 0.00 H new ATOM 630 N CYS A 39 7.342 -7.210 13.216 1.00 0.00 N ATOM 631 CA CYS A 39 6.488 -7.709 14.298 1.00 0.00 C ATOM 632 C CYS A 39 7.219 -7.618 15.656 1.00 0.00 C ATOM 633 O CYS A 39 8.441 -7.792 15.732 1.00 0.00 O ATOM 634 CB CYS A 39 6.089 -9.162 14.020 1.00 0.00 C ATOM 635 SG CYS A 39 4.912 -9.696 15.295 1.00 0.00 S ATOM 0 H CYS A 39 7.652 -7.929 12.562 1.00 0.00 H new ATOM 0 HA CYS A 39 5.592 -7.090 14.344 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.639 -9.248 13.031 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.970 -9.804 14.026 1.00 0.00 H new ATOM 0 HG CYS A 39 4.883 -10.995 15.342 1.00 0.00 H new ATOM 731 N ARG A 46 8.990 -11.176 11.824 1.00 0.00 N ATOM 732 CA ARG A 46 8.835 -10.905 10.390 1.00 0.00 C ATOM 733 C ARG A 46 8.750 -9.406 10.139 1.00 0.00 C ATOM 734 O ARG A 46 8.596 -8.618 11.073 1.00 0.00 O ATOM 735 CB ARG A 46 7.565 -11.592 9.853 1.00 0.00 C ATOM 736 CG ARG A 46 7.684 -13.124 9.843 1.00 0.00 C ATOM 737 CD ARG A 46 6.507 -13.767 9.095 1.00 0.00 C ATOM 738 NE ARG A 46 6.614 -13.585 7.630 1.00 0.00 N ATOM 739 CZ ARG A 46 7.392 -14.280 6.804 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.125 -15.293 7.210 1.00 0.00 N ATOM 741 NH2 ARG A 46 7.464 -13.966 5.532 1.00 0.00 N ATOM 0 HA ARG A 46 9.706 -11.303 9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.712 -11.301 10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.366 -11.240 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.622 -13.416 9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.714 -13.496 10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.469 -14.832 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.572 -13.331 9.447 1.00 0.00 H new ATOM 0 HE ARG A 46 6.035 -12.856 7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.111 -15.572 8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.708 -15.800 6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.921 -13.183 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.063 -14.505 4.907 1.00 0.00 H new ATOM 755 N ARG A 47 8.853 -9.015 8.864 1.00 0.00 N ATOM 756 CA ARG A 47 8.817 -7.605 8.478 1.00 0.00 C ATOM 757 C ARG A 47 7.671 -7.338 7.497 1.00 0.00 C ATOM 758 O ARG A 47 7.274 -8.218 6.738 1.00 0.00 O ATOM 759 CB ARG A 47 10.157 -7.203 7.827 1.00 0.00 C ATOM 760 CG ARG A 47 11.290 -6.853 8.803 1.00 0.00 C ATOM 761 CD ARG A 47 11.972 -8.034 9.508 1.00 0.00 C ATOM 762 NE ARG A 47 13.103 -7.525 10.303 1.00 0.00 N ATOM 763 CZ ARG A 47 13.189 -7.495 11.628 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.487 -8.272 12.419 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.993 -6.628 12.197 1.00 0.00 N ATOM 0 H ARG A 47 8.962 -9.660 8.081 1.00 0.00 H new ATOM 0 HA ARG A 47 8.654 -7.009 9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.491 -8.022 7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.982 -6.345 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.051 -6.295 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.890 -6.185 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.260 -8.551 10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.323 -8.760 8.774 1.00 0.00 H new ATOM 0 HE ARG A 47 13.901 -7.159 9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.832 -8.945 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.597 -8.203 13.431 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.542 -5.988 11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.069 -6.594 13.214 1.00 0.00 H new ATOM 779 N PHE A 48 7.191 -6.092 7.488 1.00 0.00 N ATOM 780 CA PHE A 48 6.126 -5.656 6.577 1.00 0.00 C ATOM 781 C PHE A 48 6.471 -4.290 5.976 1.00 0.00 C ATOM 782 O PHE A 48 7.365 -3.602 6.457 1.00 0.00 O ATOM 783 CB PHE A 48 4.792 -5.565 7.340 1.00 0.00 C ATOM 784 CG PHE A 48 4.333 -6.925 7.816 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.568 -7.731 6.954 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.805 -7.442 9.039 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.353 -9.079 7.274 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.607 -8.798 9.348 1.00 0.00 C ATOM 789 CZ PHE A 48 3.927 -9.623 8.436 1.00 0.00 C ATOM 0 H PHE A 48 7.528 -5.357 8.110 1.00 0.00 H new ATOM 0 HA PHE A 48 6.032 -6.384 5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.905 -4.898 8.195 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.031 -5.128 6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.148 -7.314 6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.318 -6.797 9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.747 -9.698 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.975 -9.203 10.279 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.845 -10.682 8.629 1.00 0.00 H new ATOM 799 N SER A 49 5.766 -3.915 4.904 1.00 0.00 N ATOM 800 CA SER A 49 6.055 -2.664 4.182 1.00 0.00 C ATOM 801 C SER A 49 4.988 -1.581 4.469 1.00 0.00 C ATOM 802 O SER A 49 5.097 -0.455 3.984 1.00 0.00 O ATOM 803 CB SER A 49 6.120 -2.941 2.670 1.00 0.00 C ATOM 804 OG SER A 49 5.148 -3.893 2.264 1.00 0.00 O ATOM 0 H SER A 49 4.993 -4.455 4.515 1.00 0.00 H new ATOM 0 HA SER A 49 7.017 -2.289 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.967 -2.010 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.114 -3.304 2.410 1.00 0.00 H new ATOM 0 HG SER A 49 5.219 -4.041 1.298 1.00 0.00 H new ATOM 810 N ARG A 50 3.990 -1.917 5.311 1.00 0.00 N ATOM 811 CA ARG A 50 2.974 -0.940 5.753 1.00 0.00 C ATOM 812 C ARG A 50 2.489 -1.256 7.165 1.00 0.00 C ATOM 813 O ARG A 50 2.460 -2.419 7.580 1.00 0.00 O ATOM 814 CB ARG A 50 1.777 -0.949 4.791 1.00 0.00 C ATOM 815 CG ARG A 50 2.028 -0.256 3.441 1.00 0.00 C ATOM 816 CD ARG A 50 0.708 -0.031 2.689 1.00 0.00 C ATOM 817 NE ARG A 50 0.026 -1.301 2.386 1.00 0.00 N ATOM 818 CZ ARG A 50 0.228 -2.068 1.321 1.00 0.00 C ATOM 819 NH1 ARG A 50 1.135 -1.775 0.420 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.438 -3.180 1.174 1.00 0.00 N ATOM 0 H ARG A 50 3.866 -2.853 5.697 1.00 0.00 H new ATOM 0 HA ARG A 50 3.436 0.047 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.487 -1.983 4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.932 -0.465 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.526 0.700 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.698 -0.864 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.052 0.600 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.906 0.506 1.761 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.669 -1.623 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.708 -0.938 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.267 -2.384 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.118 -3.464 1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.279 -3.765 0.354 1.00 0.00 H new ATOM 834 N SER A 51 2.024 -0.220 7.867 1.00 0.00 N ATOM 835 CA SER A 51 1.459 -0.368 9.212 1.00 0.00 C ATOM 836 C SER A 51 0.219 -1.268 9.187 1.00 0.00 C ATOM 837 O SER A 51 0.066 -2.143 10.031 1.00 0.00 O ATOM 838 CB SER A 51 1.085 1.011 9.773 1.00 0.00 C ATOM 839 OG SER A 51 0.472 1.804 8.770 1.00 0.00 O ATOM 0 H SER A 51 2.028 0.740 7.522 1.00 0.00 H new ATOM 0 HA SER A 51 2.210 -0.832 9.851 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.407 0.895 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.978 1.513 10.147 1.00 0.00 H new ATOM 0 HG SER A 51 0.238 2.679 9.143 1.00 0.00 H new ATOM 845 N ASP A 52 -0.664 -1.046 8.205 1.00 0.00 N ATOM 846 CA ASP A 52 -1.893 -1.839 8.074 1.00 0.00 C ATOM 847 C ASP A 52 -1.573 -3.322 7.813 1.00 0.00 C ATOM 848 O ASP A 52 -2.305 -4.200 8.249 1.00 0.00 O ATOM 849 CB ASP A 52 -2.760 -1.290 6.937 1.00 0.00 C ATOM 850 CG ASP A 52 -2.297 -1.716 5.544 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.471 -0.979 4.970 1.00 0.00 O ATOM 852 OD2 ASP A 52 -2.733 -2.783 5.052 1.00 0.00 O ATOM 0 H ASP A 52 -0.551 -0.326 7.491 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.440 -1.765 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.788 -1.621 7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.765 -0.201 6.990 1.00 0.00 H new ATOM 857 N GLN A 53 -0.480 -3.585 7.081 1.00 0.00 N ATOM 858 CA GLN A 53 -0.074 -4.957 6.760 1.00 0.00 C ATOM 859 C GLN A 53 0.485 -5.653 7.988 1.00 0.00 C ATOM 860 O GLN A 53 0.117 -6.782 8.285 1.00 0.00 O ATOM 861 CB GLN A 53 0.979 -4.947 5.642 1.00 0.00 C ATOM 862 CG GLN A 53 0.306 -4.590 4.314 1.00 0.00 C ATOM 863 CD GLN A 53 -0.776 -5.609 3.994 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.488 -6.783 3.802 1.00 0.00 O ATOM 865 NE2 GLN A 53 -2.044 -5.239 3.992 1.00 0.00 N ATOM 0 H GLN A 53 0.136 -2.866 6.702 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.953 -5.504 6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.762 -4.225 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.458 -5.924 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.128 -3.592 4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.047 -4.569 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.290 -4.262 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.777 -5.930 3.831 1.00 0.00 H new ATOM 874 N LEU A 54 1.313 -4.936 8.745 1.00 0.00 N ATOM 875 CA LEU A 54 1.785 -5.407 10.039 1.00 0.00 C ATOM 876 C LEU A 54 0.589 -5.647 11.001 1.00 0.00 C ATOM 877 O LEU A 54 0.502 -6.690 11.639 1.00 0.00 O ATOM 878 CB LEU A 54 2.750 -4.357 10.628 1.00 0.00 C ATOM 879 CG LEU A 54 3.256 -4.471 12.067 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.906 -5.814 12.364 1.00 0.00 C ATOM 881 CD2 LEU A 54 4.335 -3.399 12.259 1.00 0.00 C ATOM 0 H LEU A 54 1.672 -4.019 8.479 1.00 0.00 H new ATOM 0 HA LEU A 54 2.308 -6.355 9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.628 -4.332 9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.260 -3.387 10.538 1.00 0.00 H new ATOM 0 HG LEU A 54 2.399 -4.354 12.731 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.244 -5.833 13.400 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.181 -6.612 12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.759 -5.960 11.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.721 -3.450 13.277 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.148 -3.571 11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.904 -2.413 12.083 1.00 0.00 H new ATOM 893 N LYS A 55 -0.374 -4.705 11.009 1.00 0.00 N ATOM 894 CA LYS A 55 -1.606 -4.835 11.819 1.00 0.00 C ATOM 895 C LYS A 55 -2.446 -6.056 11.368 1.00 0.00 C ATOM 896 O LYS A 55 -2.905 -6.840 12.198 1.00 0.00 O ATOM 897 CB LYS A 55 -2.441 -3.545 11.696 1.00 0.00 C ATOM 898 CG LYS A 55 -3.806 -3.566 12.405 1.00 0.00 C ATOM 899 CD LYS A 55 -4.386 -2.153 12.610 1.00 0.00 C ATOM 900 CE LYS A 55 -4.447 -1.279 11.347 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.361 -1.827 10.323 1.00 0.00 N ATOM 0 H LYS A 55 -0.324 -3.844 10.464 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.321 -4.990 12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.857 -2.716 12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.604 -3.339 10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.507 -4.162 11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.702 -4.056 13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.393 -2.247 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.787 -1.637 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.772 -0.275 11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.447 -1.187 10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.366 -1.202 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.038 -2.775 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.322 -1.891 10.714 1.00 0.00 H new ATOM 915 N ARG A 56 -2.610 -6.221 10.044 1.00 0.00 N ATOM 916 CA ARG A 56 -3.306 -7.395 9.478 1.00 0.00 C ATOM 917 C ARG A 56 -2.583 -8.685 9.876 1.00 0.00 C ATOM 918 O ARG A 56 -3.201 -9.621 10.370 1.00 0.00 O ATOM 919 CB ARG A 56 -3.366 -7.277 7.933 1.00 0.00 C ATOM 920 CG ARG A 56 -4.170 -8.399 7.245 1.00 0.00 C ATOM 921 CD ARG A 56 -4.359 -8.172 5.731 1.00 0.00 C ATOM 922 NE ARG A 56 -3.120 -8.393 4.958 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.969 -9.072 3.820 1.00 0.00 C ATOM 924 NH1 ARG A 56 -3.952 -9.631 3.154 1.00 0.00 N ATOM 925 NH2 ARG A 56 -1.775 -9.183 3.297 1.00 0.00 N ATOM 0 H ARG A 56 -2.272 -5.559 9.345 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.321 -7.427 9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.807 -6.315 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.349 -7.280 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.661 -9.350 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.148 -8.479 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.136 -8.842 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.710 -7.154 5.562 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.274 -7.974 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.908 -9.561 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.760 -10.136 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.974 -8.753 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.645 -9.700 2.427 1.00 0.00 H new ATOM 939 N HIS A 57 -1.256 -8.675 9.753 1.00 0.00 N ATOM 940 CA HIS A 57 -0.425 -9.814 10.131 1.00 0.00 C ATOM 941 C HIS A 57 -0.582 -10.138 11.629 1.00 0.00 C ATOM 942 O HIS A 57 -0.703 -11.301 12.006 1.00 0.00 O ATOM 943 CB HIS A 57 1.043 -9.498 9.818 1.00 0.00 C ATOM 944 CG HIS A 57 2.005 -10.183 10.743 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.378 -11.510 10.718 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.543 -9.610 11.858 1.00 0.00 C ATOM 947 CE1 HIS A 57 3.135 -11.731 11.805 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.248 -10.603 12.516 1.00 0.00 N ATOM 0 H HIS A 57 -0.730 -7.880 9.390 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.746 -10.685 9.559 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.261 -9.795 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.197 -8.421 9.877 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.439 -8.581 12.168 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.585 -12.677 12.066 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.763 -10.494 13.390 1.00 0.00 H new ATOM 956 N GLN A 58 -0.684 -9.091 12.458 1.00 0.00 N ATOM 957 CA GLN A 58 -0.892 -9.247 13.903 1.00 0.00 C ATOM 958 C GLN A 58 -2.104 -10.141 14.183 1.00 0.00 C ATOM 959 O GLN A 58 -2.092 -10.931 15.129 1.00 0.00 O ATOM 960 CB GLN A 58 -1.084 -7.867 14.570 1.00 0.00 C ATOM 961 CG GLN A 58 -0.116 -7.667 15.750 1.00 0.00 C ATOM 962 CD GLN A 58 1.352 -7.716 15.311 1.00 0.00 C ATOM 963 OE1 GLN A 58 1.802 -6.894 14.530 1.00 0.00 O ATOM 964 NE2 GLN A 58 2.119 -8.663 15.820 1.00 0.00 N ATOM 0 H GLN A 58 -0.625 -8.121 12.150 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.007 -9.723 14.326 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.926 -7.081 13.832 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.111 -7.772 14.922 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.319 -6.707 16.225 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.295 -8.438 16.499 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.726 -9.342 16.472 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.104 -8.715 15.561 1.00 0.00 H new ATOM 973 N ARG A 59 -3.143 -10.038 13.325 1.00 0.00 N ATOM 974 CA ARG A 59 -4.392 -10.789 13.515 1.00 0.00 C ATOM 975 C ARG A 59 -4.108 -12.297 13.640 1.00 0.00 C ATOM 976 O ARG A 59 -4.743 -12.982 14.443 1.00 0.00 O ATOM 977 CB ARG A 59 -5.334 -10.541 12.317 1.00 0.00 C ATOM 978 CG ARG A 59 -6.766 -11.089 12.416 1.00 0.00 C ATOM 979 CD ARG A 59 -7.744 -10.128 13.095 1.00 0.00 C ATOM 980 NE ARG A 59 -7.518 -10.052 14.542 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.933 -9.107 15.371 1.00 0.00 C ATOM 982 NH1 ARG A 59 -8.566 -8.028 14.966 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.708 -9.255 16.653 1.00 0.00 N ATOM 0 H ARG A 59 -3.136 -9.442 12.497 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.865 -10.445 14.435 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.396 -9.465 12.155 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.870 -10.971 11.429 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.129 -11.316 11.414 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.749 -12.028 12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.640 -9.135 12.658 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.766 -10.455 12.904 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.980 -10.813 14.957 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.757 -7.891 13.973 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.866 -7.328 15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.222 -10.085 16.993 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.018 -8.540 17.311 1.00 0.00 H new ATOM 997 N ARG A 60 -3.068 -12.777 12.923 1.00 0.00 N ATOM 998 CA ARG A 60 -2.614 -14.181 13.031 1.00 0.00 C ATOM 999 C ARG A 60 -2.283 -14.544 14.485 1.00 0.00 C ATOM 1000 O ARG A 60 -2.709 -15.582 14.981 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.363 -14.396 12.152 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.728 -15.792 12.284 1.00 0.00 C ATOM 1003 CD ARG A 60 0.590 -15.861 11.499 1.00 0.00 C ATOM 1004 NE ARG A 60 1.205 -17.195 11.592 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.148 -17.704 10.804 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.628 -17.072 9.754 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.631 -18.898 11.062 1.00 0.00 N ATOM 0 H ARG A 60 -2.529 -12.214 12.265 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.423 -14.826 12.688 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.633 -14.230 11.109 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.617 -13.645 12.412 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.544 -16.016 13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.419 -16.549 11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.405 -15.617 10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.283 -15.112 11.883 1.00 0.00 H new ATOM 0 HE ARG A 60 0.871 -17.796 12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.276 -16.146 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.352 -17.508 9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.283 -19.427 11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.354 -19.296 10.463 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.515 -13.678 15.161 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.084 -13.939 16.541 1.00 0.00 C ATOM 1023 C HIS A 61 -2.264 -13.818 17.518 1.00 0.00 C ATOM 1024 O HIS A 61 -2.323 -14.530 18.515 1.00 0.00 O ATOM 1025 CB HIS A 61 0.032 -12.959 16.939 1.00 0.00 C ATOM 1026 CG HIS A 61 1.291 -13.186 16.133 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.882 -14.408 15.895 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.054 -12.235 15.508 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.975 -14.192 15.144 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.127 -12.885 14.903 1.00 0.00 N ATOM 0 H HIS A 61 -1.181 -12.794 14.776 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.701 -14.958 16.592 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.314 -11.936 16.793 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.254 -13.072 18.000 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.859 -11.173 15.488 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.638 -14.965 14.785 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.884 -12.448 14.377 1.00 0.00 H new ATOM 1038 N THR A 62 -3.223 -12.935 17.197 1.00 0.00 N ATOM 1039 CA THR A 62 -4.446 -12.784 18.010 1.00 0.00 C ATOM 1040 C THR A 62 -5.377 -14.008 17.854 1.00 0.00 C ATOM 1041 O THR A 62 -6.222 -14.261 18.708 1.00 0.00 O ATOM 1042 CB THR A 62 -5.230 -11.523 17.602 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.949 -11.705 16.392 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.383 -10.250 17.488 1.00 0.00 C ATOM 0 H THR A 62 -3.179 -12.317 16.386 1.00 0.00 H new ATOM 0 HA THR A 62 -4.125 -12.699 19.048 1.00 0.00 H new ATOM 0 HB THR A 62 -5.924 -11.377 18.430 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.397 -12.205 15.755 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.019 -9.414 17.196 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.919 -10.034 18.450 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.607 -10.395 16.736 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.213 -14.752 16.744 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.028 -15.954 16.490 1.00 0.00 C ATOM 1054 C GLY A 63 -7.506 -15.624 16.142 1.00 0.00 C ATOM 1055 O GLY A 63 -8.288 -16.523 15.831 1.00 0.00 O ATOM 0 H GLY A 63 -4.530 -14.544 16.015 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.585 -16.520 15.670 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.003 -16.596 17.371 1.00 0.00 H new ATOM 1059 N VAL A 64 -7.877 -14.336 16.222 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.271 -13.911 16.007 1.00 0.00 C ATOM 1061 C VAL A 64 -9.621 -13.920 14.513 1.00 0.00 C ATOM 1062 O VAL A 64 -8.858 -13.425 13.680 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.489 -12.492 16.584 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -10.955 -12.044 16.470 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -9.121 -12.400 18.071 1.00 0.00 C ATOM 0 H VAL A 64 -7.234 -13.573 16.433 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.924 -14.616 16.522 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.838 -11.849 15.991 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.063 -11.043 16.887 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.252 -12.034 15.421 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.591 -12.737 17.021 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.292 -11.384 18.426 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.739 -13.093 18.642 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.070 -12.658 18.202 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.821 -14.427 14.194 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.341 -14.423 12.819 1.00 0.00 C ATOM 1077 C LYS A 65 -12.658 -13.613 12.748 1.00 0.00 C ATOM 1078 O LYS A 65 -13.743 -14.165 12.929 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.585 -15.872 12.351 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.266 -16.642 12.181 1.00 0.00 C ATOM 1081 CD LYS A 65 -10.505 -18.051 11.618 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.213 -18.877 11.607 1.00 0.00 C ATOM 1083 NZ LYS A 65 -8.209 -18.332 10.671 1.00 0.00 N ATOM 0 H LYS A 65 -11.453 -14.848 14.875 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.607 -13.954 12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.217 -16.387 13.075 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.126 -15.863 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.605 -16.090 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.759 -16.715 13.143 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.259 -18.561 12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.900 -17.977 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.793 -18.904 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.444 -19.906 11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.360 -18.932 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.605 -18.314 9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.955 -17.366 10.959 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.558 -12.273 12.581 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.708 -11.377 12.689 1.00 0.00 C ATOM 1099 C PRO A 66 -14.566 -11.332 11.408 1.00 0.00 C ATOM 1100 O PRO A 66 -15.738 -10.955 11.459 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.073 -10.007 12.960 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.727 -10.073 12.237 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.314 -11.533 12.416 1.00 0.00 C ATOM 0 HA PRO A 66 -14.397 -11.707 13.467 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.693 -9.197 12.576 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.944 -9.831 14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.820 -9.806 11.184 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.999 -9.391 12.676 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.756 -11.892 11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.667 -11.654 13.285 1.00 0.00 H new ATOM 1111 N PHE A 67 -13.981 -11.718 10.262 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.704 -11.682 8.979 1.00 0.00 C ATOM 1113 C PHE A 67 -15.667 -12.884 8.862 1.00 0.00 C ATOM 1114 O PHE A 67 -15.320 -13.912 8.302 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.703 -11.686 7.800 1.00 0.00 C ATOM 1116 CG PHE A 67 -12.945 -10.379 7.622 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.512 -9.314 6.894 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.673 -10.218 8.201 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.831 -8.088 6.792 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.976 -9.005 8.074 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.559 -7.935 7.373 1.00 0.00 C ATOM 0 H PHE A 67 -13.020 -12.055 10.197 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.291 -10.764 8.942 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -12.985 -12.492 7.950 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.243 -11.908 6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.471 -9.440 6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.228 -11.035 8.749 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.286 -7.262 6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.996 -8.895 8.513 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.031 -6.997 7.281 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.856 -12.749 9.451 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.845 -13.842 9.455 1.00 0.00 C ATOM 1133 C GLN A 68 -18.773 -13.740 8.238 1.00 0.00 C ATOM 1134 O GLN A 68 -19.299 -12.668 7.932 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.677 -13.764 10.751 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.868 -14.718 10.832 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.594 -14.622 12.168 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.452 -15.463 13.040 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -21.399 -13.597 12.376 1.00 0.00 N ATOM 0 H GLN A 68 -17.162 -11.902 9.930 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.319 -14.795 9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.018 -13.962 11.596 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.044 -12.744 10.865 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.566 -14.495 10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.523 -15.741 10.681 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.522 -12.890 11.651 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.898 -13.512 13.262 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.947 -14.869 7.537 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.719 -14.901 6.295 1.00 0.00 C ATOM 1150 C CYS A 69 -21.207 -14.564 6.548 1.00 0.00 C ATOM 1151 O CYS A 69 -21.875 -15.189 7.381 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.608 -16.292 5.655 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.715 -16.402 4.228 1.00 0.00 S ATOM 0 H CYS A 69 -18.561 -15.772 7.813 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.310 -14.148 5.622 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.580 -16.478 5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.864 -17.060 6.385 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.160 -15.827 3.203 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.716 -13.577 5.800 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.134 -13.174 5.879 1.00 0.00 C ATOM 1160 C LYS A 70 -24.082 -14.321 5.432 1.00 0.00 C ATOM 1161 O LYS A 70 -25.299 -14.199 5.547 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.372 -11.924 4.993 1.00 0.00 C ATOM 1163 CG LYS A 70 -22.830 -11.956 3.544 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.668 -12.763 2.540 1.00 0.00 C ATOM 1165 CE LYS A 70 -22.903 -12.939 1.225 1.00 0.00 C ATOM 1166 NZ LYS A 70 -23.540 -13.965 0.376 1.00 0.00 N ATOM 0 H LYS A 70 -21.168 -13.038 5.129 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.359 -12.940 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.446 -11.746 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -22.929 -11.066 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.750 -10.931 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -21.821 -12.368 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -23.910 -13.739 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.613 -12.253 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.868 -11.990 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.872 -13.224 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.087 -13.971 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.430 -14.899 0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.552 -13.749 0.270 1.00 0.00 H new ATOM 1180 N THR A 71 -23.507 -15.414 4.905 1.00 0.00 N ATOM 1181 CA THR A 71 -24.295 -16.542 4.379 1.00 0.00 C ATOM 1182 C THR A 71 -24.251 -17.737 5.346 1.00 0.00 C ATOM 1183 O THR A 71 -25.276 -18.110 5.917 1.00 0.00 O ATOM 1184 CB THR A 71 -23.765 -17.000 2.988 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.822 -16.112 2.420 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.912 -17.118 1.988 1.00 0.00 C ATOM 0 H THR A 71 -22.498 -15.541 4.832 1.00 0.00 H new ATOM 0 HA THR A 71 -25.323 -16.195 4.274 1.00 0.00 H new ATOM 0 HB THR A 71 -23.282 -17.959 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.957 -16.224 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.521 -17.439 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.635 -17.850 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.400 -16.150 1.878 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.057 -18.334 5.521 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.905 -19.568 6.318 1.00 0.00 C ATOM 1196 C CYS A 72 -22.151 -19.298 7.653 1.00 0.00 C ATOM 1197 O CYS A 72 -21.925 -20.216 8.444 1.00 0.00 O ATOM 1198 CB CYS A 72 -22.145 -20.610 5.496 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.444 -20.066 5.307 1.00 0.00 S ATOM 0 H CYS A 72 -22.186 -17.984 5.123 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.899 -19.939 6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -22.179 -21.580 5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.612 -20.735 4.519 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.426 -18.833 4.896 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.788 -18.022 7.886 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.125 -17.579 9.141 1.00 0.00 C ATOM 1206 C GLN A 73 -19.705 -18.186 9.287 1.00 0.00 C ATOM 1207 O GLN A 73 -19.077 -18.063 10.341 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.999 -17.931 10.376 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.181 -16.950 10.524 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.296 -17.129 9.494 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -25.259 -17.845 9.723 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.233 -16.469 8.350 1.00 0.00 N ATOM 0 H GLN A 73 -21.942 -17.268 7.217 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.015 -16.496 9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.378 -18.948 10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.386 -17.904 11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.606 -17.063 11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.800 -15.931 10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.433 -15.869 8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.985 -16.560 7.667 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.171 -18.741 8.190 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.764 -19.153 8.135 1.00 0.00 C ATOM 1223 C ARG A 74 -16.858 -17.975 8.467 1.00 0.00 C ATOM 1224 O ARG A 74 -16.910 -16.937 7.807 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.420 -19.680 6.730 1.00 0.00 C ATOM 1226 CG ARG A 74 -17.410 -21.210 6.582 1.00 0.00 C ATOM 1227 CD ARG A 74 -16.385 -21.926 7.484 1.00 0.00 C ATOM 1228 NE ARG A 74 -15.139 -21.152 7.659 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.892 -21.577 7.789 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.549 -22.844 7.708 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.948 -20.699 8.022 1.00 0.00 N ATOM 0 H ARG A 74 -19.692 -18.914 7.331 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.607 -19.946 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.138 -19.268 6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.439 -19.299 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.405 -21.592 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.201 -21.462 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.833 -22.111 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.146 -22.899 7.054 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.257 -20.139 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.260 -23.555 7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.572 -23.116 7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.180 -19.709 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.981 -21.006 8.125 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.088 -18.105 9.550 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.256 -17.006 10.027 1.00 0.00 C ATOM 1247 C LYS A 75 -13.885 -17.020 9.346 1.00 0.00 C ATOM 1248 O LYS A 75 -13.288 -18.079 9.141 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.076 -17.108 11.552 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.375 -16.867 12.344 1.00 0.00 C ATOM 1251 CD LYS A 75 -17.052 -18.167 12.810 1.00 0.00 C ATOM 1252 CE LYS A 75 -18.453 -17.903 13.372 1.00 0.00 C ATOM 1253 NZ LYS A 75 -18.418 -17.103 14.613 1.00 0.00 N ATOM 0 H LYS A 75 -16.026 -18.957 10.108 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.756 -16.069 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.688 -18.096 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.327 -16.383 11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.153 -16.249 13.214 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.072 -16.305 11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.120 -18.863 11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.437 -18.645 13.573 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.050 -17.382 12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.948 -18.854 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.787 -17.671 15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.438 -16.822 14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.004 -16.252 14.494 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.395 -15.825 9.015 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.087 -15.648 8.384 1.00 0.00 C ATOM 1269 C PHE A 76 -11.315 -14.516 9.070 1.00 0.00 C ATOM 1270 O PHE A 76 -11.893 -13.707 9.796 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.268 -15.316 6.891 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.968 -16.413 6.135 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.268 -17.585 5.793 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.346 -16.305 5.877 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.956 -18.662 5.214 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.030 -17.383 5.303 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.337 -18.567 4.987 1.00 0.00 C ATOM 0 H PHE A 76 -13.895 -14.951 9.177 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.522 -16.575 8.485 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.838 -14.392 6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.291 -15.136 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.206 -17.655 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.874 -15.395 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.424 -19.562 4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.089 -17.306 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.871 -19.407 4.568 1.00 0.00 H new ATOM 1287 N SER A 77 -10.008 -14.460 8.829 1.00 0.00 N ATOM 1288 CA SER A 77 -9.151 -13.431 9.428 1.00 0.00 C ATOM 1289 C SER A 77 -8.875 -12.286 8.438 1.00 0.00 C ATOM 1290 O SER A 77 -8.318 -11.257 8.818 1.00 0.00 O ATOM 1291 CB SER A 77 -7.819 -14.059 9.863 1.00 0.00 C ATOM 1292 OG SER A 77 -7.273 -14.772 8.764 1.00 0.00 O ATOM 0 H SER A 77 -9.515 -15.115 8.222 1.00 0.00 H new ATOM 0 HA SER A 77 -9.671 -13.019 10.293 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.126 -13.285 10.193 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.975 -14.729 10.708 1.00 0.00 H new ATOM 0 HG SER A 77 -6.420 -15.177 9.028 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.271 -12.478 7.165 1.00 0.00 N ATOM 1299 CA ARG A 78 -8.985 -11.506 6.099 1.00 0.00 C ATOM 1300 C ARG A 78 -10.208 -11.295 5.200 1.00 0.00 C ATOM 1301 O ARG A 78 -10.976 -12.229 4.938 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.803 -12.002 5.254 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.460 -11.842 5.987 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.395 -12.821 5.499 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.212 -12.774 4.041 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.072 -12.927 3.386 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.923 -12.984 4.013 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.097 -12.998 2.076 1.00 0.00 N ATOM 0 H ARG A 78 -9.790 -13.299 6.852 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.734 -10.552 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.954 -13.051 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.771 -11.449 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.098 -10.823 5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.616 -11.986 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.447 -12.595 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.673 -13.833 5.794 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.046 -12.607 3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.893 -12.910 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.059 -13.102 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.985 -12.935 1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.228 -13.116 1.555 1.00 0.00 H new ATOM 1322 N SER A 79 -10.336 -10.077 4.671 1.00 0.00 N ATOM 1323 CA SER A 79 -11.436 -9.726 3.771 1.00 0.00 C ATOM 1324 C SER A 79 -11.289 -10.438 2.415 1.00 0.00 C ATOM 1325 O SER A 79 -12.266 -10.910 1.854 1.00 0.00 O ATOM 1326 CB SER A 79 -11.465 -8.211 3.558 1.00 0.00 C ATOM 1327 OG SER A 79 -10.185 -7.740 3.171 1.00 0.00 O ATOM 0 H SER A 79 -9.686 -9.312 4.852 1.00 0.00 H new ATOM 0 HA SER A 79 -12.370 -10.051 4.229 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.199 -7.959 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.780 -7.715 4.476 1.00 0.00 H new ATOM 0 HG SER A 79 -10.220 -6.770 3.037 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.051 -10.516 1.904 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.768 -11.205 0.626 1.00 0.00 C ATOM 1335 C ASP A 80 -10.108 -12.731 0.724 1.00 0.00 C ATOM 1336 O ASP A 80 -10.643 -13.316 -0.221 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.291 -11.009 0.246 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.270 -11.396 1.316 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -6.900 -12.590 1.371 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.861 -10.486 2.070 1.00 0.00 O ATOM 0 H ASP A 80 -9.228 -10.113 2.352 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.398 -10.770 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.086 -11.592 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.138 -9.961 -0.013 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.879 -13.318 1.912 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.298 -14.716 2.191 1.00 0.00 C ATOM 1347 C HIS A 81 -11.824 -14.827 2.207 1.00 0.00 C ATOM 1348 O HIS A 81 -12.386 -15.730 1.601 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.741 -15.194 3.543 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.288 -15.521 3.603 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.401 -15.513 2.566 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.609 -15.845 4.741 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.209 -15.832 3.079 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.276 -15.980 4.409 1.00 0.00 N ATOM 0 H HIS A 81 -9.411 -12.857 2.692 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.898 -15.347 1.397 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.944 -14.421 4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.300 -16.080 3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.037 -15.973 5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.308 -15.955 2.497 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.500 -16.157 5.047 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.493 -13.895 2.904 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.960 -13.895 2.982 1.00 0.00 C ATOM 1364 C LEU A 82 -14.586 -13.693 1.590 1.00 0.00 C ATOM 1365 O LEU A 82 -15.487 -14.428 1.197 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.434 -12.788 3.930 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.971 -12.802 4.103 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.310 -12.511 5.556 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.695 -11.781 3.215 1.00 0.00 C ATOM 0 H LEU A 82 -12.044 -13.137 3.418 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.281 -14.863 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.957 -12.913 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.120 -11.819 3.543 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.313 -13.792 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.392 -12.519 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.862 -13.273 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.919 -11.532 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.769 -11.846 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.348 -10.777 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.482 -11.994 2.167 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.085 -12.699 0.846 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.558 -12.417 -0.521 1.00 0.00 C ATOM 1383 C LYS A 83 -14.287 -13.611 -1.447 1.00 0.00 C ATOM 1384 O LYS A 83 -15.081 -13.906 -2.332 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.848 -11.162 -1.065 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.431 -10.632 -2.383 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.680 -9.374 -2.845 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.319 -8.749 -4.091 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.150 -9.604 -5.284 1.00 0.00 N ATOM 0 H LYS A 83 -13.348 -12.072 1.168 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.634 -12.243 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.901 -10.374 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.793 -11.391 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.365 -11.403 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.488 -10.402 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.668 -8.642 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.642 -9.629 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.381 -8.584 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.872 -7.773 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.596 -9.147 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.136 -9.741 -5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.599 -10.527 -5.116 1.00 0.00 H new ATOM 1403 N THR A 84 -13.174 -14.308 -1.209 1.00 0.00 N ATOM 1404 CA THR A 84 -12.841 -15.527 -1.960 1.00 0.00 C ATOM 1405 C THR A 84 -13.818 -16.664 -1.608 1.00 0.00 C ATOM 1406 O THR A 84 -14.494 -17.206 -2.487 1.00 0.00 O ATOM 1407 CB THR A 84 -11.409 -15.977 -1.616 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.509 -15.024 -2.128 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.926 -17.358 -2.023 1.00 0.00 C ATOM 0 H THR A 84 -12.485 -14.051 -0.502 1.00 0.00 H new ATOM 0 HA THR A 84 -12.917 -15.304 -3.024 1.00 0.00 H new ATOM 0 HB THR A 84 -11.444 -16.053 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.557 -14.207 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.895 -17.494 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.557 -18.116 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.978 -17.457 -3.107 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.012 -16.891 -0.303 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.949 -17.904 0.189 1.00 0.00 C ATOM 1419 C HIS A 85 -16.392 -17.574 -0.239 1.00 0.00 C ATOM 1420 O HIS A 85 -17.178 -18.467 -0.525 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.864 -17.982 1.720 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.110 -18.520 2.355 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.493 -19.842 2.446 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.145 -17.741 2.789 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.755 -19.854 2.911 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.173 -18.601 3.133 1.00 0.00 N ATOM 0 H HIS A 85 -13.527 -16.381 0.435 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.677 -18.867 -0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.020 -18.614 1.999 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.662 -16.987 2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.158 -16.663 2.851 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.344 -20.743 3.080 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.088 -18.329 3.492 1.00 0.00 H new ATOM 1434 N THR A 86 -16.687 -16.282 -0.366 1.00 0.00 N ATOM 1435 CA THR A 86 -18.002 -15.807 -0.816 1.00 0.00 C ATOM 1436 C THR A 86 -18.384 -16.456 -2.165 1.00 0.00 C ATOM 1437 O THR A 86 -19.546 -16.852 -2.372 1.00 0.00 O ATOM 1438 CB THR A 86 -18.008 -14.277 -0.964 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.743 -13.680 0.283 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.311 -13.629 -1.393 1.00 0.00 C ATOM 0 H THR A 86 -16.026 -15.533 -0.161 1.00 0.00 H new ATOM 0 HA THR A 86 -18.735 -16.094 -0.062 1.00 0.00 H new ATOM 0 HB THR A 86 -17.264 -14.116 -1.744 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.828 -13.895 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.176 -12.549 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.607 -14.017 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.087 -13.854 -0.662 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.393 -16.586 -3.075 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.634 -17.146 -4.423 1.00 0.00 C ATOM 1450 C ARG A 87 -18.138 -18.608 -4.331 1.00 0.00 C ATOM 1451 O ARG A 87 -18.834 -19.086 -5.226 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.338 -17.099 -5.258 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.629 -15.739 -5.412 1.00 0.00 C ATOM 1454 CD ARG A 87 -16.532 -14.543 -5.763 1.00 0.00 C ATOM 1455 NE ARG A 87 -16.680 -13.642 -4.615 1.00 0.00 N ATOM 1456 CZ ARG A 87 -17.432 -12.556 -4.506 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -18.207 -12.098 -5.461 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -17.396 -11.884 -3.383 1.00 0.00 N ATOM 0 H ARG A 87 -16.426 -16.313 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.400 -16.541 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.629 -17.798 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.570 -17.471 -6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -15.109 -15.515 -4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.868 -15.834 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -16.108 -13.997 -6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -17.512 -14.902 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.131 -13.884 -3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -18.256 -12.585 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.760 -11.255 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.799 -12.200 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.965 -11.045 -3.273 1.00 0.00 H new ATOM 1472 N THR A 88 -17.835 -19.272 -3.204 1.00 0.00 N ATOM 1473 CA THR A 88 -18.313 -20.653 -2.940 1.00 0.00 C ATOM 1474 C THR A 88 -19.845 -20.741 -3.068 1.00 0.00 C ATOM 1475 O THR A 88 -20.368 -21.710 -3.610 1.00 0.00 O ATOM 1476 CB THR A 88 -17.919 -21.116 -1.523 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.572 -20.827 -1.254 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.133 -22.608 -1.283 1.00 0.00 C ATOM 0 H THR A 88 -17.262 -18.881 -2.457 1.00 0.00 H new ATOM 0 HA THR A 88 -17.842 -21.298 -3.682 1.00 0.00 H new ATOM 0 HB THR A 88 -18.580 -20.564 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.517 -20.057 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.834 -22.859 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.186 -22.852 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.532 -23.180 -1.990 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.558 -19.704 -2.585 1.00 0.00 N ATOM 1487 CA HIS A 89 -22.032 -19.657 -2.692 1.00 0.00 C ATOM 1488 C HIS A 89 -22.471 -18.870 -3.939 1.00 0.00 C ATOM 1489 O HIS A 89 -23.621 -18.963 -4.363 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.642 -18.999 -1.438 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.815 -18.928 -0.186 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -20.892 -17.947 0.075 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -22.005 -19.649 0.964 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -20.544 -18.060 1.367 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.189 -19.087 1.947 1.00 0.00 N ATOM 0 H HIS A 89 -20.144 -18.895 -2.122 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.390 -20.683 -2.777 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.927 -17.981 -1.704 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.561 -19.534 -1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -22.664 -20.496 1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -19.841 -17.414 1.872 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -21.100 -19.395 2.915 1.00 0.00 H new ATOM 1503 N THR A 90 -21.565 -18.038 -4.466 1.00 0.00 N ATOM 1504 CA THR A 90 -21.931 -17.071 -5.515 1.00 0.00 C ATOM 1505 C THR A 90 -21.723 -17.660 -6.930 1.00 0.00 C ATOM 1506 O THR A 90 -22.154 -17.068 -7.914 1.00 0.00 O ATOM 1507 CB THR A 90 -21.082 -15.787 -5.386 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.021 -15.359 -4.036 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.611 -14.578 -6.154 1.00 0.00 C ATOM 0 H THR A 90 -20.584 -18.012 -4.189 1.00 0.00 H new ATOM 0 HA THR A 90 -22.987 -16.838 -5.380 1.00 0.00 H new ATOM 0 HB THR A 90 -20.118 -16.084 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.421 -15.949 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 90 -20.945 -13.729 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.657 -14.814 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.609 -14.327 -5.795 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.136 -18.870 -7.013 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.983 -19.563 -8.312 1.00 0.00 C ATOM 1519 C GLY A 91 -20.046 -18.814 -9.285 1.00 0.00 C ATOM 1520 O GLY A 91 -19.973 -19.148 -10.466 1.00 0.00 O ATOM 0 H GLY A 91 -20.765 -19.382 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.593 -20.566 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.963 -19.677 -8.775 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.357 -17.785 -8.780 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.539 -16.914 -9.616 1.00 0.00 C ATOM 1526 C GLU A 92 -17.172 -17.557 -9.910 1.00 0.00 C ATOM 1527 O GLU A 92 -16.249 -17.480 -9.097 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.341 -15.564 -8.916 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.803 -14.483 -9.864 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.385 -13.223 -9.104 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.099 -12.862 -8.139 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.339 -12.647 -9.470 1.00 0.00 O ATOM 0 H GLU A 92 -19.353 -17.538 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.055 -16.762 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.291 -15.234 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.650 -15.689 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.949 -14.875 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.568 -14.229 -10.598 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.047 -18.160 -11.102 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.776 -18.740 -11.562 1.00 0.00 C ATOM 1541 C LYS A 93 -15.324 -18.067 -12.876 1.00 0.00 C ATOM 1542 O LYS A 93 -15.643 -18.542 -13.963 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.937 -20.260 -11.779 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.179 -21.021 -10.469 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.379 -22.519 -10.721 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.563 -23.247 -9.387 1.00 0.00 C ATOM 1547 NZ LYS A 93 -16.680 -24.705 -9.587 1.00 0.00 N ATOM 0 H LYS A 93 -17.814 -18.259 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.017 -18.567 -10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.770 -20.440 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.042 -20.651 -12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.332 -20.873 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.057 -20.615 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.251 -22.677 -11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.519 -22.926 -11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -15.717 -23.034 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.456 -22.873 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.804 -25.173 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.502 -24.908 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.817 -25.063 -10.044 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.627 -16.912 -12.780 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.224 -16.141 -13.947 1.00 0.00 C ATOM 1563 C PRO A 94 -12.901 -16.638 -14.568 1.00 0.00 C ATOM 1564 O PRO A 94 -12.654 -16.426 -15.757 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.061 -14.719 -13.398 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.588 -14.930 -11.959 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.274 -16.233 -11.539 1.00 0.00 C ATOM 0 HA PRO A 94 -14.954 -16.222 -14.752 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.335 -14.148 -13.977 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.001 -14.168 -13.433 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.503 -15.013 -11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.879 -14.099 -11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.609 -16.847 -10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.160 -16.032 -10.937 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.051 -17.296 -13.754 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.716 -17.727 -14.214 1.00 0.00 C ATOM 1577 C PHE A 95 -10.823 -18.964 -15.120 1.00 0.00 C ATOM 1578 O PHE A 95 -10.624 -20.091 -14.677 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.815 -18.036 -13.012 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.551 -16.841 -12.131 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.594 -15.877 -12.504 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.291 -16.682 -10.950 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.374 -14.752 -11.689 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.082 -15.547 -10.145 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.125 -14.583 -10.512 1.00 0.00 C ATOM 0 H PHE A 95 -12.262 -17.538 -12.786 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.276 -16.913 -14.790 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.277 -18.822 -12.415 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.864 -18.428 -13.373 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.029 -16.002 -13.416 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.017 -17.427 -10.660 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.630 -14.020 -11.966 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.659 -15.415 -9.241 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.967 -13.714 -9.890 1.00 0.00 H new ATOM 1595 N SER A 96 -11.158 -18.732 -16.389 1.00 0.00 N ATOM 1596 CA SER A 96 -11.337 -19.815 -17.363 1.00 0.00 C ATOM 1597 C SER A 96 -9.996 -20.206 -17.992 1.00 0.00 C ATOM 1598 O SER A 96 -9.181 -19.343 -18.323 1.00 0.00 O ATOM 1599 CB SER A 96 -12.306 -19.365 -18.466 1.00 0.00 C ATOM 1600 OG SER A 96 -13.488 -18.796 -17.922 1.00 0.00 O ATOM 0 H SER A 96 -11.312 -17.799 -16.771 1.00 0.00 H new ATOM 0 HA SER A 96 -11.746 -20.681 -16.843 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.813 -18.636 -19.109 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.567 -20.218 -19.092 1.00 0.00 H new ATOM 0 HG SER A 96 -14.009 -18.376 -18.638 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.790 -21.515 -18.180 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.572 -22.027 -18.802 1.00 0.00 C ATOM 1608 C CYS A 97 -8.535 -21.688 -20.302 1.00 0.00 C ATOM 1609 O CYS A 97 -9.566 -21.380 -20.911 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.490 -23.547 -18.609 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.858 -24.232 -18.973 1.00 0.00 S ATOM 0 H CYS A 97 -10.456 -22.238 -17.908 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.716 -21.552 -18.323 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.756 -23.790 -17.580 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.228 -24.027 -19.251 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.983 -25.463 -19.372 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.332 -21.748 -20.881 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.111 -21.385 -22.291 1.00 0.00 C ATOM 1618 C ARG A 98 -6.543 -22.574 -23.089 1.00 0.00 C ATOM 1619 O ARG A 98 -6.182 -22.430 -24.256 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.140 -20.180 -22.375 1.00 0.00 C ATOM 1621 CG ARG A 98 -4.882 -20.199 -21.476 1.00 0.00 C ATOM 1622 CD ARG A 98 -3.909 -21.369 -21.685 1.00 0.00 C ATOM 1623 NE ARG A 98 -3.369 -21.406 -23.054 1.00 0.00 N ATOM 1624 CZ ARG A 98 -2.737 -22.420 -23.637 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -2.514 -23.570 -23.035 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -2.294 -22.290 -24.867 1.00 0.00 N ATOM 0 H ARG A 98 -6.488 -22.047 -20.393 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.071 -21.111 -22.729 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.810 -20.088 -23.410 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.705 -19.278 -22.140 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.336 -19.269 -21.633 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.206 -20.206 -20.435 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.087 -21.287 -20.974 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.421 -22.307 -21.473 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.493 -20.563 -23.615 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.831 -23.714 -22.076 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.024 -24.317 -23.527 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.436 -21.414 -25.370 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.808 -23.065 -25.319 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.460 -23.743 -22.443 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.936 -24.947 -23.086 1.00 0.00 C ATOM 1642 C TRP A 99 -6.932 -25.480 -24.154 1.00 0.00 C ATOM 1643 O TRP A 99 -8.121 -25.140 -24.134 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.670 -26.022 -22.025 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.337 -25.867 -21.340 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.007 -24.875 -20.483 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.144 -26.708 -21.438 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.714 -25.039 -20.034 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.131 -26.153 -20.595 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.811 -27.887 -22.140 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.857 -26.724 -20.468 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.537 -28.474 -22.015 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.560 -27.896 -21.185 1.00 0.00 C ATOM 0 H TRP A 99 -6.750 -23.878 -21.474 1.00 0.00 H new ATOM 0 HA TRP A 99 -5.002 -24.698 -23.589 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.461 -25.987 -21.276 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.718 -27.005 -22.494 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.663 -24.068 -20.191 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.250 -24.416 -19.373 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.546 -28.347 -22.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.114 -26.270 -19.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.308 -29.377 -22.562 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.416 -28.351 -21.099 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.432 -26.286 -25.125 1.00 0.00 N ATOM 1665 CA PRO A 100 -7.225 -26.754 -26.268 1.00 0.00 C ATOM 1666 C PRO A 100 -8.589 -27.347 -25.859 1.00 0.00 C ATOM 1667 O PRO A 100 -8.658 -28.439 -25.297 1.00 0.00 O ATOM 1668 CB PRO A 100 -6.332 -27.824 -26.914 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.920 -27.310 -26.634 1.00 0.00 C ATOM 1670 CD PRO A 100 -5.040 -26.708 -25.235 1.00 0.00 C ATOM 0 HA PRO A 100 -7.480 -25.934 -26.939 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.498 -28.807 -26.474 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.523 -27.917 -27.983 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.185 -28.114 -26.665 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.609 -26.566 -27.367 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.787 -27.439 -24.467 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.361 -25.865 -25.108 1.00 0.00 H new ATOM 1678 N SER A 101 -9.672 -26.620 -26.195 1.00 0.00 N ATOM 1679 CA SER A 101 -11.060 -27.089 -25.960 1.00 0.00 C ATOM 1680 C SER A 101 -11.341 -27.348 -24.454 1.00 0.00 C ATOM 1681 O SER A 101 -12.301 -28.046 -24.113 1.00 0.00 O ATOM 1682 CB SER A 101 -11.326 -28.374 -26.767 1.00 0.00 C ATOM 1683 OG SER A 101 -12.680 -28.740 -26.608 1.00 0.00 O ATOM 0 H SER A 101 -9.616 -25.700 -26.633 1.00 0.00 H new ATOM 0 HA SER A 101 -11.732 -26.298 -26.292 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.101 -28.211 -27.821 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.675 -29.177 -26.422 1.00 0.00 H new ATOM 0 HG SER A 101 -12.939 -28.634 -25.669 1.00 0.00 H new ATOM 1689 N CYS A 102 -10.526 -26.749 -23.571 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.724 -26.871 -22.128 1.00 0.00 C ATOM 1691 C CYS A 102 -11.826 -25.900 -21.645 1.00 0.00 C ATOM 1692 O CYS A 102 -12.998 -26.275 -21.556 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.406 -26.582 -21.398 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.750 -26.544 -19.629 1.00 0.00 S ATOM 0 H CYS A 102 -9.725 -26.176 -23.837 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.043 -27.889 -21.903 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.667 -27.350 -21.627 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.989 -25.630 -21.726 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.731 -26.038 -19.000 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.435 -24.639 -21.377 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.368 -23.589 -20.909 1.00 0.00 C ATOM 1701 C GLN A 103 -12.936 -23.919 -19.498 1.00 0.00 C ATOM 1702 O GLN A 103 -13.925 -23.317 -19.069 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.535 -23.412 -21.917 1.00 0.00 C ATOM 1704 CG GLN A 103 -13.140 -23.329 -23.410 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.973 -24.233 -24.321 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.465 -23.813 -25.356 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -14.150 -25.502 -23.997 1.00 0.00 N ATOM 0 H GLN A 103 -10.472 -24.319 -21.477 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.806 -22.657 -20.841 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.226 -24.246 -21.791 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.079 -22.504 -21.655 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.242 -22.297 -23.746 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.088 -23.595 -23.513 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.746 -25.870 -23.136 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.691 -26.114 -24.608 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.257 -24.823 -18.760 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.624 -25.115 -17.360 1.00 0.00 C ATOM 1718 C LYS A 104 -12.384 -23.881 -16.494 1.00 0.00 C ATOM 1719 O LYS A 104 -11.377 -23.193 -16.651 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.799 -26.304 -16.830 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.376 -27.614 -17.406 1.00 0.00 C ATOM 1722 CD LYS A 104 -11.584 -28.886 -17.065 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.367 -29.042 -17.981 1.00 0.00 C ATOM 1724 NZ LYS A 104 -9.730 -30.368 -17.852 1.00 0.00 N ATOM 0 H LYS A 104 -11.460 -25.357 -19.107 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.681 -25.379 -17.318 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.753 -26.195 -17.118 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.829 -26.327 -15.741 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.397 -27.733 -17.042 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.433 -27.521 -18.491 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.258 -28.847 -16.026 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.231 -29.758 -17.163 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.673 -28.888 -19.016 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.637 -28.267 -17.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.912 -30.424 -18.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.413 -30.507 -16.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.416 -31.109 -18.102 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.361 -23.554 -15.641 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.359 -22.273 -14.921 1.00 0.00 C ATOM 1740 C LYS A 105 -13.077 -22.461 -13.435 1.00 0.00 C ATOM 1741 O LYS A 105 -13.554 -23.409 -12.814 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.709 -21.574 -15.105 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.103 -21.459 -16.586 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.182 -20.398 -16.816 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.429 -20.260 -18.320 1.00 0.00 C ATOM 1746 NZ LYS A 105 -17.448 -19.229 -18.602 1.00 0.00 N ATOM 0 H LYS A 105 -14.159 -24.154 -15.432 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.562 -21.658 -15.338 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.479 -22.127 -14.567 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.664 -20.578 -14.664 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.221 -21.212 -17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.464 -22.425 -16.940 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.103 -20.681 -16.307 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.867 -19.443 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.497 -20.000 -18.822 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.754 -21.217 -18.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.595 -19.158 -19.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -18.343 -19.491 -18.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.125 -18.312 -18.234 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.362 -21.489 -12.858 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.071 -21.461 -11.418 1.00 0.00 C ATOM 1762 C PHE A 106 -12.453 -20.111 -10.820 1.00 0.00 C ATOM 1763 O PHE A 106 -12.632 -19.129 -11.542 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.577 -21.728 -11.182 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.165 -23.067 -11.755 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.390 -24.246 -11.022 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.724 -23.141 -13.089 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.210 -25.498 -11.636 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.571 -24.390 -13.713 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.830 -25.566 -12.988 1.00 0.00 C ATOM 0 H PHE A 106 -11.969 -20.701 -13.373 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.660 -22.238 -10.930 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.986 -20.935 -11.641 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.365 -21.706 -10.113 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.701 -24.190 -9.989 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.503 -22.235 -13.634 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.363 -26.405 -11.071 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.256 -24.446 -14.744 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.737 -26.527 -13.472 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.578 -20.067 -9.490 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.959 -18.841 -8.791 1.00 0.00 C ATOM 1782 C ALA A 107 -11.728 -18.126 -8.212 1.00 0.00 C ATOM 1783 O ALA A 107 -11.846 -17.042 -7.642 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.946 -19.177 -7.664 1.00 0.00 C ATOM 0 H ALA A 107 -12.420 -20.868 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.433 -18.170 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.229 -18.262 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.835 -19.644 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.475 -19.864 -6.960 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.540 -18.726 -8.396 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.291 -18.128 -7.934 1.00 0.00 C ATOM 1792 C ARG A 108 -8.215 -18.205 -9.020 1.00 0.00 C ATOM 1793 O ARG A 108 -8.072 -19.225 -9.711 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.804 -18.840 -6.673 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.718 -18.672 -5.449 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.464 -19.749 -4.390 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.041 -19.892 -4.032 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.574 -20.413 -2.905 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.370 -20.618 -1.887 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.314 -20.749 -2.832 1.00 0.00 N ATOM 0 H ARG A 108 -10.426 -19.626 -8.863 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.479 -17.079 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.700 -19.903 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.811 -18.468 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.558 -17.687 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.760 -18.714 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.035 -19.508 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.837 -20.705 -4.758 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.355 -19.561 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.359 -20.377 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.002 -21.019 -1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.702 -20.610 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.942 -21.151 -1.971 1.00 0.00 H new ATOM 1814 N SER A 109 -7.433 -17.133 -9.134 1.00 0.00 N ATOM 1815 CA SER A 109 -6.344 -17.062 -10.098 1.00 0.00 C ATOM 1816 C SER A 109 -5.354 -18.213 -9.885 1.00 0.00 C ATOM 1817 O SER A 109 -4.964 -18.883 -10.833 1.00 0.00 O ATOM 1818 CB SER A 109 -5.613 -15.715 -9.958 1.00 0.00 C ATOM 1819 OG SER A 109 -5.341 -15.425 -8.596 1.00 0.00 O ATOM 0 H SER A 109 -7.538 -16.295 -8.562 1.00 0.00 H new ATOM 0 HA SER A 109 -6.763 -17.147 -11.101 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.680 -15.743 -10.521 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.222 -14.920 -10.389 1.00 0.00 H new ATOM 0 HG SER A 109 -4.875 -14.565 -8.531 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.985 -18.460 -8.624 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.033 -19.520 -8.285 1.00 0.00 C ATOM 1827 C ASP A 110 -4.624 -20.926 -8.571 1.00 0.00 C ATOM 1828 O ASP A 110 -3.898 -21.832 -8.956 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.613 -19.410 -6.818 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.635 -19.859 -5.775 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.823 -19.501 -5.908 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.209 -20.513 -4.798 1.00 0.00 O ATOM 0 H ASP A 110 -5.333 -17.938 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.154 -19.392 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.705 -19.997 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.354 -18.371 -6.615 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.949 -21.090 -8.388 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.623 -22.355 -8.750 1.00 0.00 C ATOM 1839 C GLU A 111 -6.464 -22.630 -10.248 1.00 0.00 C ATOM 1840 O GLU A 111 -6.146 -23.753 -10.646 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.123 -22.302 -8.390 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.420 -22.702 -6.933 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.928 -22.755 -6.607 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.714 -22.097 -7.335 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.271 -23.419 -5.606 1.00 0.00 O ATOM 0 H GLU A 111 -6.566 -20.377 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.156 -23.160 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.495 -21.292 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.673 -22.964 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.978 -23.679 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.936 -21.992 -6.263 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.604 -21.577 -11.072 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.345 -21.692 -12.514 1.00 0.00 C ATOM 1854 C LEU A 112 -4.841 -21.976 -12.788 1.00 0.00 C ATOM 1855 O LEU A 112 -4.505 -22.838 -13.601 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.781 -20.409 -13.238 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.502 -20.459 -14.754 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.254 -21.602 -15.437 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.900 -19.150 -15.439 1.00 0.00 C ATOM 0 H LEU A 112 -6.892 -20.647 -10.767 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.927 -22.530 -12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.846 -20.248 -13.074 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.259 -19.556 -12.804 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.429 -20.621 -14.856 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.029 -21.600 -16.503 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.944 -22.552 -15.002 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.326 -21.470 -15.293 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.690 -19.219 -16.506 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.965 -18.970 -15.290 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.329 -18.327 -15.010 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.947 -21.265 -12.076 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.485 -21.495 -12.206 1.00 0.00 C ATOM 1873 C VAL A 113 -2.143 -22.955 -11.873 1.00 0.00 C ATOM 1874 O VAL A 113 -1.366 -23.599 -12.581 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.703 -20.551 -11.254 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.197 -20.864 -11.214 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.825 -19.064 -11.607 1.00 0.00 C ATOM 0 H VAL A 113 -4.201 -20.534 -11.411 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.196 -21.285 -13.236 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.170 -20.738 -10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.300 -20.173 -10.533 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.047 -21.887 -10.868 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.224 -20.754 -12.213 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.250 -18.473 -10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.439 -18.896 -12.613 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.872 -18.765 -11.565 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.783 -23.484 -10.824 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.623 -24.890 -10.452 1.00 0.00 C ATOM 1889 C ARG A 114 -3.173 -25.799 -11.554 1.00 0.00 C ATOM 1890 O ARG A 114 -2.480 -26.699 -12.017 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.353 -25.175 -9.127 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.356 -26.681 -8.810 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.891 -26.984 -7.413 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.929 -26.597 -6.373 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.097 -26.782 -5.070 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.185 -27.344 -4.601 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.181 -26.387 -4.218 1.00 0.00 N ATOM 0 H ARG A 114 -3.415 -22.959 -10.220 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.560 -25.095 -10.324 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.868 -24.630 -8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.379 -24.811 -9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.963 -27.203 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.342 -27.070 -8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.830 -26.452 -7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.111 -28.048 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.063 -26.151 -6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.919 -27.647 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.297 -27.478 -3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.332 -25.934 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.318 -26.533 -3.218 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.382 -25.483 -12.044 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.019 -26.277 -13.099 1.00 0.00 C ATOM 1913 C HIS A 115 -4.096 -26.411 -14.310 1.00 0.00 C ATOM 1914 O HIS A 115 -3.829 -27.517 -14.770 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.341 -25.624 -13.523 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.002 -26.368 -14.654 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.582 -27.610 -14.552 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.083 -25.972 -15.965 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.017 -27.944 -15.776 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.743 -26.977 -16.659 1.00 0.00 N ATOM 0 H HIS A 115 -4.934 -24.686 -11.726 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.219 -27.273 -12.704 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.017 -25.588 -12.669 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.155 -24.594 -13.827 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.666 -28.172 -13.705 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.704 -25.050 -16.380 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.520 -28.869 -16.016 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.548 -25.281 -14.770 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.599 -25.280 -15.883 1.00 0.00 C ATOM 1930 C HIS A 116 -1.386 -26.197 -15.580 1.00 0.00 C ATOM 1931 O HIS A 116 -0.958 -26.970 -16.437 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.108 -23.850 -16.153 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.089 -22.894 -16.798 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.279 -23.177 -17.443 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.872 -21.548 -16.925 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.757 -22.020 -17.931 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -3.931 -21.002 -17.652 1.00 0.00 N ATOM 0 H HIS A 116 -3.747 -24.357 -14.387 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.111 -25.663 -16.765 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.788 -23.418 -15.205 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.226 -23.910 -16.790 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -4.714 -24.095 -17.532 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.027 -21.003 -16.531 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.684 -21.923 -18.476 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.889 -26.152 -14.329 1.00 0.00 N ATOM 1946 CA ASN A 117 0.281 -26.956 -13.931 1.00 0.00 C ATOM 1947 C ASN A 117 -0.074 -28.459 -13.849 1.00 0.00 C ATOM 1948 O ASN A 117 0.813 -29.310 -13.845 1.00 0.00 O ATOM 1949 CB ASN A 117 0.814 -26.469 -12.569 1.00 0.00 C ATOM 1950 CG ASN A 117 1.790 -25.311 -12.725 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.991 -25.499 -12.818 1.00 0.00 O ATOM 1952 ND2 ASN A 117 1.318 -24.084 -12.772 1.00 0.00 N ATOM 0 H ASN A 117 -1.275 -25.573 -13.583 1.00 0.00 H new ATOM 0 HA ASN A 117 1.053 -26.830 -14.690 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -0.022 -26.158 -11.942 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.308 -27.294 -12.056 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.956 -23.296 -12.886 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.314 -23.920 -12.695 1.00 0.00 H new ATOM 1959 N MET A 118 -1.379 -28.767 -13.818 1.00 0.00 N ATOM 1960 CA MET A 118 -1.857 -30.152 -13.793 1.00 0.00 C ATOM 1961 C MET A 118 -2.474 -30.551 -15.156 1.00 0.00 C ATOM 1962 O MET A 118 -3.020 -31.643 -15.297 1.00 0.00 O ATOM 1963 CB MET A 118 -2.910 -30.318 -12.679 1.00 0.00 C ATOM 1964 CG MET A 118 -2.309 -30.130 -11.280 1.00 0.00 C ATOM 1965 SD MET A 118 -3.511 -30.293 -9.928 1.00 0.00 S ATOM 1966 CE MET A 118 -2.370 -30.300 -8.521 1.00 0.00 C ATOM 0 H MET A 118 -2.123 -28.070 -13.810 1.00 0.00 H new ATOM 0 HA MET A 118 -1.007 -30.805 -13.596 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.711 -29.594 -12.828 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.358 -31.309 -12.750 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.515 -30.863 -11.136 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.847 -29.144 -11.224 1.00 0.00 H new ATOM 0 HE1 MET A 118 -2.936 -30.394 -7.594 1.00 0.00 H new ATOM 0 HE2 MET A 118 -1.683 -31.141 -8.614 1.00 0.00 H new ATOM 0 HE3 MET A 118 -1.804 -29.369 -8.507 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.417 -29.637 -16.140 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.100 -29.838 -17.414 1.00 0.00 C ATOM 1978 C HIS A 119 -2.392 -30.906 -18.256 1.00 0.00 C ATOM 1979 O HIS A 119 -2.878 -31.291 -19.324 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.154 -28.519 -18.189 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.445 -28.393 -18.937 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -4.940 -29.298 -19.845 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.422 -27.477 -18.673 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.207 -28.930 -20.112 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.543 -27.847 -19.411 1.00 0.00 N ATOM 0 H HIS A 119 -1.905 -28.757 -16.071 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.114 -30.181 -17.207 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.045 -27.682 -17.499 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.318 -28.468 -18.887 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.341 -26.625 -18.015 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.862 -29.443 -20.801 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -7.449 -27.379 -19.415 1.00 0.00 H new