USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 692 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0442) USER MOD Set 2.1: A 72 CYS SG : rot 148:sc= 1.01 USER MOD Set 2.2: A 75 CYS SG : rot -65:sc= -0.855 USER MOD Set 2.3: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 98 CYS SG : rot -136:sc= 0.512 USER MOD Set 2.5: A 101 CYS SG : rot 150:sc= -2.49 USER MOD Set 3.1: A 57 CYS SG : rot 148:sc= 0.694 USER MOD Set 3.2: A 60 CYS SG : rot -63:sc= -1.38 USER MOD Set 3.3: A 62 GLN : amide:sc= 0 X(o=-2.5,f=-2.9) USER MOD Set 3.4: A 69 MET CE :methyl 150:sc= -0.8 (180deg=-1.58!) USER MOD Set 3.5: A 80 HIS : no HD1:sc= -1.23 K(o=-2.5,f=-4.6) USER MOD Set 3.6: A 83 CYS SG : rot 138:sc= 0.24 USER MOD Set 4.1: A 25 CYS SG : rot 147:sc= 0.993 USER MOD Set 4.2: A 28 CYS SG : rot -53:sc= -0.104 USER MOD Set 4.3: A 51 CYS SG : rot -148:sc= -0.734 USER MOD Set 4.4: A 54 CYS SG : rot 120:sc= -2.29 USER MOD Set 5.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.1: A 10 CYS SG : rot -173:sc= 0.123 USER MOD Set 6.2: A 13 CYS SG : rot -119:sc= -2.25 USER MOD Set 6.3: A 22 GLN : amide:sc= -1.57 K(o=-9.9,f=-9.2) USER MOD Set 6.4: A 33 HIS : no HD1:sc= -4.97! K(o=-9.9!,f=-9.4) USER MOD Set 6.5: A 36 CYS SG : rot 80:sc= -1.27 USER MOD Single : A 9 ASN : amide:sc= -0.0811 K(o=-0.081,f=-1.9!) USER MOD Single : A 15 SER OG : rot 24:sc= 0.0209 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.7! C(o=-2.7!,f=-4.4!) USER MOD Single : A 31 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-3.7!) USER MOD Single : A 32 TYR OH : rot 137:sc= -0.151 USER MOD Single : A 35 MET CE :methyl 155:sc= -0.0957 (180deg=-0.676) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= 1.31 (180deg=0.16) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -5.95! (180deg=-6.45!) USER MOD Single : A 58 GLN : amide:sc= -0.0767 X(o=-0.077,f=-0.077) USER MOD Single : A 59 ASN : amide:sc= -0.729 K(o=-0.73,f=-0.18) USER MOD Single : A 61 LYS NZ :NH3+ -101:sc=-0.00561 (180deg=-0.532) USER MOD Single : A 63 SER OG : rot -15:sc= 0.287! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -121:sc= 0.0714 (180deg=-2.65!) USER MOD Single : A 81 THR OG1 : rot 17:sc= 0.593 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 88 MET CE :methyl 146:sc= -2.67 (180deg=-6.23!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -18.355 4.215 0.265 1.00 0.00 N ATOM 67 CA ALA A 8 -16.930 4.202 0.575 1.00 0.00 C ATOM 68 C ALA A 8 -16.670 3.569 1.937 1.00 0.00 C ATOM 69 O ALA A 8 -16.728 4.241 2.966 1.00 0.00 O ATOM 70 CB ALA A 8 -16.369 5.616 0.532 1.00 0.00 C ATOM 0 HA ALA A 8 -16.424 3.598 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.305 5.592 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.513 6.034 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.887 6.235 1.264 1.00 0.00 H new ATOM 76 N ASN A 9 -16.385 2.271 1.936 1.00 0.00 N ATOM 77 CA ASN A 9 -16.118 1.546 3.173 1.00 0.00 C ATOM 78 C ASN A 9 -14.819 0.751 3.068 1.00 0.00 C ATOM 79 O ASN A 9 -14.161 0.751 2.028 1.00 0.00 O ATOM 80 CB ASN A 9 -17.280 0.605 3.499 1.00 0.00 C ATOM 81 CG ASN A 9 -18.431 1.321 4.177 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.282 2.446 4.655 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.588 0.670 4.224 1.00 0.00 N ATOM 0 H ASN A 9 -16.333 1.700 1.093 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.014 2.275 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.636 0.140 2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.924 -0.197 4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.398 1.101 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.666 -0.261 3.815 1.00 0.00 H new ATOM 90 N CYS A 10 -14.457 0.075 4.153 1.00 0.00 N ATOM 91 CA CYS A 10 -13.238 -0.724 4.185 1.00 0.00 C ATOM 92 C CYS A 10 -13.316 -1.875 3.186 1.00 0.00 C ATOM 93 O CYS A 10 -14.380 -2.457 2.976 1.00 0.00 O ATOM 94 CB CYS A 10 -12.998 -1.271 5.594 1.00 0.00 C ATOM 95 SG CYS A 10 -11.341 -1.984 5.842 1.00 0.00 S ATOM 0 H CYS A 10 -14.991 0.065 5.022 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.404 -0.080 3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.147 -0.467 6.315 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.746 -2.034 5.808 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.279 -2.541 7.015 1.00 0.00 H new ATOM 100 N ALA A 11 -12.181 -2.198 2.574 1.00 0.00 N ATOM 101 CA ALA A 11 -12.120 -3.281 1.600 1.00 0.00 C ATOM 102 C ALA A 11 -11.699 -4.590 2.260 1.00 0.00 C ATOM 103 O ALA A 11 -11.495 -5.599 1.585 1.00 0.00 O ATOM 104 CB ALA A 11 -11.163 -2.923 0.473 1.00 0.00 C ATOM 0 H ALA A 11 -11.292 -1.725 2.736 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.118 -3.420 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.127 -3.740 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.509 -2.017 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.166 -2.755 0.881 1.00 0.00 H new ATOM 110 N VAL A 12 -11.570 -4.566 3.582 1.00 0.00 N ATOM 111 CA VAL A 12 -11.173 -5.751 4.333 1.00 0.00 C ATOM 112 C VAL A 12 -12.282 -6.200 5.278 1.00 0.00 C ATOM 113 O VAL A 12 -12.650 -7.375 5.308 1.00 0.00 O ATOM 114 CB VAL A 12 -9.891 -5.496 5.148 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.489 -6.746 5.917 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.764 -5.034 4.237 1.00 0.00 C ATOM 0 H VAL A 12 -11.735 -3.739 4.156 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.980 -6.538 3.604 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.091 -4.704 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.581 -6.547 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.291 -7.027 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.306 -7.561 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.866 -4.859 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.562 -5.802 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.055 -4.110 3.738 1.00 0.00 H new ATOM 126 N CYS A 13 -12.812 -5.257 6.049 1.00 0.00 N ATOM 127 CA CYS A 13 -13.880 -5.554 6.997 1.00 0.00 C ATOM 128 C CYS A 13 -15.235 -5.122 6.442 1.00 0.00 C ATOM 129 O CYS A 13 -16.280 -5.588 6.896 1.00 0.00 O ATOM 130 CB CYS A 13 -13.617 -4.852 8.331 1.00 0.00 C ATOM 131 SG CYS A 13 -13.840 -3.045 8.278 1.00 0.00 S ATOM 0 H CYS A 13 -12.519 -4.280 6.036 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.899 -6.632 7.159 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.285 -5.268 9.086 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.598 -5.072 8.650 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.720 -2.460 8.583 1.00 0.00 H new ATOM 136 N ASP A 14 -15.208 -4.231 5.457 1.00 0.00 N ATOM 137 CA ASP A 14 -16.433 -3.737 4.839 1.00 0.00 C ATOM 138 C ASP A 14 -17.278 -2.965 5.847 1.00 0.00 C ATOM 139 O ASP A 14 -18.485 -3.180 5.953 1.00 0.00 O ATOM 140 CB ASP A 14 -17.242 -4.900 4.260 1.00 0.00 C ATOM 141 CG ASP A 14 -16.891 -5.186 2.814 1.00 0.00 C ATOM 142 OD1 ASP A 14 -15.707 -5.470 2.536 1.00 0.00 O ATOM 143 OD2 ASP A 14 -17.799 -5.125 1.959 1.00 0.00 O ATOM 0 H ASP A 14 -14.351 -3.836 5.069 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.156 -3.060 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.065 -5.794 4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.305 -4.672 4.334 1.00 0.00 H new ATOM 148 N SER A 15 -16.635 -2.068 6.586 1.00 0.00 N ATOM 149 CA SER A 15 -17.326 -1.267 7.590 1.00 0.00 C ATOM 150 C SER A 15 -16.761 0.149 7.639 1.00 0.00 C ATOM 151 O SER A 15 -15.581 0.384 7.376 1.00 0.00 O ATOM 152 CB SER A 15 -17.208 -1.924 8.967 1.00 0.00 C ATOM 153 OG SER A 15 -18.212 -2.906 9.151 1.00 0.00 O ATOM 0 H SER A 15 -15.636 -1.877 6.509 1.00 0.00 H new ATOM 0 HA SER A 15 -18.378 -1.210 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.224 -2.381 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.291 -1.164 9.744 1.00 0.00 H new ATOM 0 HG SER A 15 -18.519 -3.228 8.278 1.00 0.00 H new ATOM 159 N PRO A 16 -17.622 1.118 7.985 1.00 0.00 N ATOM 160 CA PRO A 16 -17.232 2.528 8.078 1.00 0.00 C ATOM 161 C PRO A 16 -16.305 2.796 9.258 1.00 0.00 C ATOM 162 O PRO A 16 -15.257 3.423 9.107 1.00 0.00 O ATOM 163 CB PRO A 16 -18.566 3.253 8.270 1.00 0.00 C ATOM 164 CG PRO A 16 -19.465 2.235 8.884 1.00 0.00 C ATOM 165 CD PRO A 16 -19.043 0.911 8.312 1.00 0.00 C ATOM 0 HA PRO A 16 -16.676 2.856 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.454 4.124 8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.963 3.610 7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.373 2.238 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.509 2.446 8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.176 0.102 9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.625 0.651 7.428 1.00 0.00 H new ATOM 173 N GLY A 17 -16.697 2.317 10.434 1.00 0.00 N ATOM 174 CA GLY A 17 -15.889 2.516 11.623 1.00 0.00 C ATOM 175 C GLY A 17 -15.348 3.928 11.727 1.00 0.00 C ATOM 176 O GLY A 17 -16.100 4.897 11.624 1.00 0.00 O ATOM 0 H GLY A 17 -17.560 1.794 10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.487 2.294 12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.057 1.811 11.616 1.00 0.00 H new ATOM 180 N ASP A 18 -14.041 4.045 11.933 1.00 0.00 N ATOM 181 CA ASP A 18 -13.399 5.349 12.052 1.00 0.00 C ATOM 182 C ASP A 18 -12.665 5.712 10.765 1.00 0.00 C ATOM 183 O ASP A 18 -11.574 5.206 10.495 1.00 0.00 O ATOM 184 CB ASP A 18 -12.423 5.355 13.230 1.00 0.00 C ATOM 185 CG ASP A 18 -12.307 6.721 13.877 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.278 7.503 13.794 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.245 7.009 14.468 1.00 0.00 O ATOM 0 H ASP A 18 -13.405 3.252 12.021 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.175 6.094 12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.752 4.630 13.975 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.440 5.034 12.885 1.00 0.00 H new ATOM 192 N LEU A 19 -13.269 6.591 9.973 1.00 0.00 N ATOM 193 CA LEU A 19 -12.674 7.022 8.713 1.00 0.00 C ATOM 194 C LEU A 19 -11.398 7.820 8.959 1.00 0.00 C ATOM 195 O LEU A 19 -10.529 7.905 8.090 1.00 0.00 O ATOM 196 CB LEU A 19 -13.671 7.865 7.917 1.00 0.00 C ATOM 197 CG LEU A 19 -14.588 7.099 6.963 1.00 0.00 C ATOM 198 CD1 LEU A 19 -13.784 6.491 5.823 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.354 6.019 7.712 1.00 0.00 C ATOM 0 H LEU A 19 -14.171 7.019 10.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.419 6.132 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.293 8.417 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.113 8.602 7.339 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.308 7.800 6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.453 5.950 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.281 7.284 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.041 5.803 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.002 5.484 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.650 5.320 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.960 6.478 8.493 1.00 0.00 H new ATOM 211 N LEU A 20 -11.289 8.401 10.148 1.00 0.00 N ATOM 212 CA LEU A 20 -10.117 9.191 10.510 1.00 0.00 C ATOM 213 C LEU A 20 -8.868 8.318 10.563 1.00 0.00 C ATOM 214 O LEU A 20 -7.755 8.795 10.341 1.00 0.00 O ATOM 215 CB LEU A 20 -10.335 9.872 11.862 1.00 0.00 C ATOM 216 CG LEU A 20 -11.453 10.913 11.917 1.00 0.00 C ATOM 217 CD1 LEU A 20 -11.744 11.309 13.356 1.00 0.00 C ATOM 218 CD2 LEU A 20 -11.084 12.136 11.090 1.00 0.00 C ATOM 0 H LEU A 20 -11.998 8.340 10.879 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.972 9.954 9.745 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.546 9.102 12.604 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.403 10.353 12.158 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.355 10.471 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.542 12.051 13.375 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.053 10.429 13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.846 11.732 13.806 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.891 12.867 11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.169 12.579 11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.927 11.840 10.053 1.00 0.00 H new ATOM 230 N ASP A 21 -9.059 7.036 10.856 1.00 0.00 N ATOM 231 CA ASP A 21 -7.948 6.095 10.935 1.00 0.00 C ATOM 232 C ASP A 21 -7.969 5.130 9.754 1.00 0.00 C ATOM 233 O ASP A 21 -7.551 3.979 9.875 1.00 0.00 O ATOM 234 CB ASP A 21 -8.004 5.315 12.249 1.00 0.00 C ATOM 235 CG ASP A 21 -8.338 6.200 13.434 1.00 0.00 C ATOM 236 OD1 ASP A 21 -7.750 7.297 13.540 1.00 0.00 O ATOM 237 OD2 ASP A 21 -9.187 5.796 14.255 1.00 0.00 O ATOM 0 H ASP A 21 -9.974 6.625 11.043 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.019 6.664 10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.750 4.525 12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.043 4.830 12.421 1.00 0.00 H new ATOM 242 N GLN A 22 -8.460 5.607 8.615 1.00 0.00 N ATOM 243 CA GLN A 22 -8.537 4.784 7.413 1.00 0.00 C ATOM 244 C GLN A 22 -7.690 5.377 6.292 1.00 0.00 C ATOM 245 O GLN A 22 -7.751 6.577 6.023 1.00 0.00 O ATOM 246 CB GLN A 22 -9.990 4.650 6.954 1.00 0.00 C ATOM 247 CG GLN A 22 -10.775 3.597 7.719 1.00 0.00 C ATOM 248 CD GLN A 22 -11.859 2.951 6.879 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.579 2.105 6.028 1.00 0.00 O ATOM 250 NE2 GLN A 22 -13.105 3.346 7.112 1.00 0.00 N ATOM 0 H GLN A 22 -8.810 6.558 8.499 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.147 3.795 7.654 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.487 5.614 7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.006 4.403 5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.091 2.827 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.227 4.055 8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.292 4.050 7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.875 2.946 6.577 1.00 0.00 H new ATOM 259 N PHE A 23 -6.901 4.529 5.642 1.00 0.00 N ATOM 260 CA PHE A 23 -6.040 4.970 4.550 1.00 0.00 C ATOM 261 C PHE A 23 -6.815 5.033 3.237 1.00 0.00 C ATOM 262 O PHE A 23 -7.621 4.152 2.937 1.00 0.00 O ATOM 263 CB PHE A 23 -4.843 4.028 4.404 1.00 0.00 C ATOM 264 CG PHE A 23 -3.807 4.204 5.478 1.00 0.00 C ATOM 265 CD1 PHE A 23 -2.864 5.215 5.390 1.00 0.00 C ATOM 266 CD2 PHE A 23 -3.777 3.358 6.575 1.00 0.00 C ATOM 267 CE1 PHE A 23 -1.909 5.380 6.376 1.00 0.00 C ATOM 268 CE2 PHE A 23 -2.825 3.519 7.564 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.890 4.530 7.464 1.00 0.00 C ATOM 0 H PHE A 23 -6.839 3.533 5.852 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.679 5.971 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.198 2.998 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.378 4.192 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.875 5.882 4.541 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.505 2.565 6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.179 6.172 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.812 2.854 8.415 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.145 4.656 8.236 1.00 0.00 H new ATOM 279 N PHE A 24 -6.566 6.081 2.459 1.00 0.00 N ATOM 280 CA PHE A 24 -7.241 6.260 1.179 1.00 0.00 C ATOM 281 C PHE A 24 -6.255 6.127 0.022 1.00 0.00 C ATOM 282 O PHE A 24 -5.127 6.614 0.092 1.00 0.00 O ATOM 283 CB PHE A 24 -7.924 7.628 1.127 1.00 0.00 C ATOM 284 CG PHE A 24 -8.369 8.023 -0.252 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.460 7.409 -0.845 1.00 0.00 C ATOM 286 CD2 PHE A 24 -7.695 9.009 -0.956 1.00 0.00 C ATOM 287 CE1 PHE A 24 -9.873 7.771 -2.114 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.103 9.375 -2.225 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.192 8.754 -2.805 1.00 0.00 C ATOM 0 H PHE A 24 -5.902 6.819 2.692 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.996 5.480 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.789 7.619 1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.237 8.383 1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.994 6.638 -0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.842 9.497 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.727 7.286 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.571 10.146 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.511 9.037 -3.797 1.00 0.00 H new ATOM 299 N CYS A 25 -6.691 5.463 -1.044 1.00 0.00 N ATOM 300 CA CYS A 25 -5.849 5.263 -2.217 1.00 0.00 C ATOM 301 C CYS A 25 -6.116 6.338 -3.268 1.00 0.00 C ATOM 302 O CYS A 25 -7.227 6.858 -3.372 1.00 0.00 O ATOM 303 CB CYS A 25 -6.094 3.877 -2.817 1.00 0.00 C ATOM 304 SG CYS A 25 -4.983 3.457 -4.198 1.00 0.00 S ATOM 0 H CYS A 25 -7.623 5.055 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.808 5.337 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.980 3.128 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.126 3.821 -3.165 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.739 2.180 -4.185 1.00 0.00 H new ATOM 309 N THR A 26 -5.088 6.666 -4.045 1.00 0.00 N ATOM 310 CA THR A 26 -5.211 7.678 -5.086 1.00 0.00 C ATOM 311 C THR A 26 -5.469 7.040 -6.446 1.00 0.00 C ATOM 312 O THR A 26 -6.002 7.680 -7.354 1.00 0.00 O ATOM 313 CB THR A 26 -3.944 8.550 -5.174 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.799 7.727 -5.426 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.737 9.335 -3.887 1.00 0.00 C ATOM 0 H THR A 26 -4.162 6.245 -3.973 1.00 0.00 H new ATOM 0 HA THR A 26 -6.059 8.307 -4.816 1.00 0.00 H new ATOM 0 HB THR A 26 -4.072 9.255 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.998 8.289 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.837 9.943 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.597 9.982 -3.713 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.629 8.643 -3.052 1.00 0.00 H new ATOM 323 N THR A 27 -5.089 5.773 -6.582 1.00 0.00 N ATOM 324 CA THR A 27 -5.280 5.048 -7.832 1.00 0.00 C ATOM 325 C THR A 27 -6.711 4.537 -7.959 1.00 0.00 C ATOM 326 O THR A 27 -7.489 5.036 -8.772 1.00 0.00 O ATOM 327 CB THR A 27 -4.310 3.856 -7.943 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.957 4.326 -7.968 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.593 3.043 -9.197 1.00 0.00 C ATOM 0 H THR A 27 -4.647 5.228 -5.842 1.00 0.00 H new ATOM 0 HA THR A 27 -5.075 5.751 -8.639 1.00 0.00 H new ATOM 0 HB THR A 27 -4.456 3.215 -7.073 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.347 3.562 -8.037 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.896 2.207 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.614 2.662 -9.161 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.473 3.676 -10.076 1.00 0.00 H new ATOM 337 N CYS A 28 -7.052 3.540 -7.149 1.00 0.00 N ATOM 338 CA CYS A 28 -8.390 2.962 -7.170 1.00 0.00 C ATOM 339 C CYS A 28 -9.355 3.791 -6.327 1.00 0.00 C ATOM 340 O CYS A 28 -10.465 4.100 -6.759 1.00 0.00 O ATOM 341 CB CYS A 28 -8.354 1.522 -6.655 1.00 0.00 C ATOM 342 SG CYS A 28 -8.031 1.380 -4.867 1.00 0.00 S ATOM 0 H CYS A 28 -6.420 3.116 -6.470 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.743 2.964 -8.201 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.307 1.043 -6.881 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.584 0.973 -7.197 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.955 2.044 -4.566 1.00 0.00 H new ATOM 347 N GLY A 29 -8.922 4.149 -5.122 1.00 0.00 N ATOM 348 CA GLY A 29 -9.759 4.939 -4.238 1.00 0.00 C ATOM 349 C GLY A 29 -10.471 4.091 -3.203 1.00 0.00 C ATOM 350 O GLY A 29 -11.664 4.270 -2.960 1.00 0.00 O ATOM 0 H GLY A 29 -8.007 3.906 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.146 5.685 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.497 5.481 -4.829 1.00 0.00 H new ATOM 354 N GLN A 30 -9.738 3.165 -2.592 1.00 0.00 N ATOM 355 CA GLN A 30 -10.309 2.286 -1.579 1.00 0.00 C ATOM 356 C GLN A 30 -9.949 2.764 -0.177 1.00 0.00 C ATOM 357 O GLN A 30 -9.150 3.686 -0.010 1.00 0.00 O ATOM 358 CB GLN A 30 -9.817 0.851 -1.784 1.00 0.00 C ATOM 359 CG GLN A 30 -10.583 0.092 -2.855 1.00 0.00 C ATOM 360 CD GLN A 30 -11.779 -0.655 -2.299 1.00 0.00 C ATOM 361 OE1 GLN A 30 -11.719 -1.863 -2.069 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.875 0.062 -2.079 1.00 0.00 N ATOM 0 H GLN A 30 -8.749 3.005 -2.781 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.394 2.310 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.761 0.873 -2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.896 0.311 -0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.920 0.792 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.913 -0.615 -3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.880 1.061 -2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.711 -0.386 -1.705 1.00 0.00 H new ATOM 371 N HIS A 31 -10.544 2.132 0.830 1.00 0.00 N ATOM 372 CA HIS A 31 -10.285 2.493 2.219 1.00 0.00 C ATOM 373 C HIS A 31 -9.856 1.272 3.027 1.00 0.00 C ATOM 374 O HIS A 31 -10.261 0.147 2.734 1.00 0.00 O ATOM 375 CB HIS A 31 -11.530 3.122 2.845 1.00 0.00 C ATOM 376 CG HIS A 31 -12.152 4.190 1.999 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.435 5.455 2.470 1.00 0.00 N ATOM 378 CD2 HIS A 31 -12.543 4.177 0.703 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.975 6.173 1.502 1.00 0.00 C ATOM 380 NE2 HIS A 31 -13.052 5.421 0.419 1.00 0.00 N ATOM 0 H HIS A 31 -11.209 1.368 0.710 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.473 3.220 2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.268 2.341 3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.265 3.546 3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.469 3.344 0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.299 7.200 1.582 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.428 5.716 -0.482 1.00 0.00 H new ATOM 389 N TYR A 32 -9.034 1.502 4.045 1.00 0.00 N ATOM 390 CA TYR A 32 -8.548 0.420 4.894 1.00 0.00 C ATOM 391 C TYR A 32 -8.193 0.937 6.285 1.00 0.00 C ATOM 392 O TYR A 32 -7.605 2.009 6.430 1.00 0.00 O ATOM 393 CB TYR A 32 -7.326 -0.245 4.258 1.00 0.00 C ATOM 394 CG TYR A 32 -7.559 -0.704 2.836 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.642 0.212 1.794 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.693 -2.053 2.533 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.855 -0.202 0.494 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.905 -2.477 1.235 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.986 -1.547 0.219 1.00 0.00 C ATOM 400 OH TYR A 32 -8.196 -1.964 -1.075 1.00 0.00 O ATOM 0 H TYR A 32 -8.690 2.427 4.302 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.345 -0.317 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.492 0.457 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.032 -1.102 4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.538 1.266 2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.630 -2.783 3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.919 0.524 -0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.007 -3.530 1.017 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.643 -2.752 -1.258 1.00 0.00 H new ATOM 410 N HIS A 33 -8.554 0.166 7.305 1.00 0.00 N ATOM 411 CA HIS A 33 -8.273 0.543 8.686 1.00 0.00 C ATOM 412 C HIS A 33 -6.850 0.153 9.077 1.00 0.00 C ATOM 413 O HIS A 33 -6.296 -0.814 8.557 1.00 0.00 O ATOM 414 CB HIS A 33 -9.274 -0.120 9.632 1.00 0.00 C ATOM 415 CG HIS A 33 -10.675 0.385 9.471 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.690 -0.373 8.926 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.228 1.579 9.787 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.806 0.333 8.913 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.553 1.522 9.431 1.00 0.00 N ATOM 0 H HIS A 33 -9.042 -0.724 7.202 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.370 1.626 8.768 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.263 -1.197 9.463 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.953 0.044 10.661 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.721 2.421 10.236 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.763 -0.004 8.542 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.231 2.275 9.547 1.00 0.00 H new ATOM 427 N GLY A 34 -6.265 0.914 9.997 1.00 0.00 N ATOM 428 CA GLY A 34 -4.912 0.632 10.441 1.00 0.00 C ATOM 429 C GLY A 34 -4.783 -0.740 11.072 1.00 0.00 C ATOM 430 O GLY A 34 -3.707 -1.336 11.062 1.00 0.00 O ATOM 0 H GLY A 34 -6.703 1.720 10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.232 0.703 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.604 1.390 11.161 1.00 0.00 H new ATOM 434 N MET A 35 -5.883 -1.241 11.625 1.00 0.00 N ATOM 435 CA MET A 35 -5.887 -2.552 12.264 1.00 0.00 C ATOM 436 C MET A 35 -6.237 -3.646 11.259 1.00 0.00 C ATOM 437 O MET A 35 -5.681 -4.744 11.303 1.00 0.00 O ATOM 438 CB MET A 35 -6.882 -2.574 13.426 1.00 0.00 C ATOM 439 CG MET A 35 -6.396 -1.826 14.656 1.00 0.00 C ATOM 440 SD MET A 35 -5.379 -2.852 15.735 1.00 0.00 S ATOM 441 CE MET A 35 -3.737 -2.311 15.269 1.00 0.00 C ATOM 0 H MET A 35 -6.782 -0.760 11.644 1.00 0.00 H new ATOM 0 HA MET A 35 -4.885 -2.744 12.649 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.825 -2.138 13.095 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.088 -3.609 13.698 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.822 -0.954 14.343 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.256 -1.457 15.216 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.048 -2.487 16.095 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.405 -2.869 14.394 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.757 -1.247 15.035 1.00 0.00 H new ATOM 451 N CYS A 36 -7.161 -3.339 10.355 1.00 0.00 N ATOM 452 CA CYS A 36 -7.586 -4.295 9.340 1.00 0.00 C ATOM 453 C CYS A 36 -6.400 -4.755 8.496 1.00 0.00 C ATOM 454 O CYS A 36 -6.337 -5.910 8.072 1.00 0.00 O ATOM 455 CB CYS A 36 -8.656 -3.674 8.440 1.00 0.00 C ATOM 456 SG CYS A 36 -10.352 -3.826 9.087 1.00 0.00 S ATOM 0 H CYS A 36 -7.630 -2.435 10.305 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.007 -5.163 9.848 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.427 -2.618 8.297 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.609 -4.147 7.459 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.555 -2.914 9.990 1.00 0.00 H new ATOM 461 N LEU A 37 -5.464 -3.844 8.256 1.00 0.00 N ATOM 462 CA LEU A 37 -4.279 -4.155 7.463 1.00 0.00 C ATOM 463 C LEU A 37 -3.039 -4.239 8.347 1.00 0.00 C ATOM 464 O LEU A 37 -1.974 -4.667 7.901 1.00 0.00 O ATOM 465 CB LEU A 37 -4.075 -3.097 6.378 1.00 0.00 C ATOM 466 CG LEU A 37 -4.823 -3.330 5.065 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.693 -2.118 4.154 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.304 -4.579 4.369 1.00 0.00 C ATOM 0 H LEU A 37 -5.502 -2.884 8.599 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.433 -5.125 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.379 -2.130 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.009 -3.031 6.159 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.879 -3.477 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.232 -2.302 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.114 -1.243 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.640 -1.939 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.848 -4.729 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.242 -4.461 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.450 -5.444 5.017 1.00 0.00 H new ATOM 480 N ASP A 38 -3.185 -3.830 9.602 1.00 0.00 N ATOM 481 CA ASP A 38 -2.077 -3.862 10.550 1.00 0.00 C ATOM 482 C ASP A 38 -1.035 -2.803 10.205 1.00 0.00 C ATOM 483 O ASP A 38 0.168 -3.039 10.324 1.00 0.00 O ATOM 484 CB ASP A 38 -1.429 -5.247 10.564 1.00 0.00 C ATOM 485 CG ASP A 38 -0.490 -5.436 11.740 1.00 0.00 C ATOM 486 OD1 ASP A 38 -0.805 -4.929 12.837 1.00 0.00 O ATOM 487 OD2 ASP A 38 0.559 -6.089 11.562 1.00 0.00 O ATOM 0 H ASP A 38 -4.059 -3.472 9.987 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.474 -3.645 11.542 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.208 -6.009 10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.878 -5.396 9.635 1.00 0.00 H new ATOM 492 N ILE A 39 -1.504 -1.637 9.774 1.00 0.00 N ATOM 493 CA ILE A 39 -0.613 -0.542 9.411 1.00 0.00 C ATOM 494 C ILE A 39 -0.537 0.497 10.524 1.00 0.00 C ATOM 495 O ILE A 39 -1.549 0.849 11.130 1.00 0.00 O ATOM 496 CB ILE A 39 -1.068 0.147 8.111 1.00 0.00 C ATOM 497 CG1 ILE A 39 -1.129 -0.866 6.966 1.00 0.00 C ATOM 498 CG2 ILE A 39 -0.130 1.293 7.763 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.601 -0.271 5.658 1.00 0.00 C ATOM 0 H ILE A 39 -2.496 -1.426 9.668 1.00 0.00 H new ATOM 0 HA ILE A 39 0.374 -0.977 9.255 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.067 0.555 8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.139 -1.300 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.797 -1.680 7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.465 1.770 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.133 2.024 8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.880 0.907 7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.620 -1.046 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.603 0.138 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.921 0.524 5.354 1.00 0.00 H new ATOM 511 N ALA A 40 0.670 0.987 10.787 1.00 0.00 N ATOM 512 CA ALA A 40 0.879 1.989 11.825 1.00 0.00 C ATOM 513 C ALA A 40 0.675 3.397 11.277 1.00 0.00 C ATOM 514 O ALA A 40 1.513 3.915 10.539 1.00 0.00 O ATOM 515 CB ALA A 40 2.271 1.850 12.422 1.00 0.00 C ATOM 0 H ALA A 40 1.518 0.706 10.295 1.00 0.00 H new ATOM 0 HA ALA A 40 0.141 1.822 12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.412 2.605 13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.382 0.858 12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.018 1.988 11.640 1.00 0.00 H new ATOM 521 N VAL A 41 -0.445 4.013 11.642 1.00 0.00 N ATOM 522 CA VAL A 41 -0.759 5.362 11.186 1.00 0.00 C ATOM 523 C VAL A 41 0.409 6.311 11.431 1.00 0.00 C ATOM 524 O VAL A 41 0.863 6.476 12.563 1.00 0.00 O ATOM 525 CB VAL A 41 -2.011 5.916 11.892 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.296 7.339 11.436 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.210 5.015 11.634 1.00 0.00 C ATOM 0 H VAL A 41 -1.150 3.599 12.252 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.953 5.297 10.115 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.823 5.935 12.966 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.184 7.713 11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.444 7.975 11.676 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.464 7.349 10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.086 5.421 12.140 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.402 4.963 10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.002 4.015 12.015 1.00 0.00 H new ATOM 537 N THR A 42 0.893 6.933 10.360 1.00 0.00 N ATOM 538 CA THR A 42 2.009 7.865 10.457 1.00 0.00 C ATOM 539 C THR A 42 1.784 9.087 9.574 1.00 0.00 C ATOM 540 O THR A 42 1.055 9.041 8.584 1.00 0.00 O ATOM 541 CB THR A 42 3.337 7.195 10.057 1.00 0.00 C ATOM 542 OG1 THR A 42 3.196 6.548 8.787 1.00 0.00 O ATOM 543 CG2 THR A 42 3.768 6.178 11.104 1.00 0.00 C ATOM 0 H THR A 42 0.529 6.808 9.415 1.00 0.00 H new ATOM 0 HA THR A 42 2.068 8.179 11.499 1.00 0.00 H new ATOM 0 HB THR A 42 4.102 7.968 9.988 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.045 6.126 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.708 5.718 10.799 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.903 6.678 12.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.002 5.408 11.200 1.00 0.00 H new ATOM 551 N PRO A 43 2.424 10.208 9.939 1.00 0.00 N ATOM 552 CA PRO A 43 2.309 11.464 9.192 1.00 0.00 C ATOM 553 C PRO A 43 2.999 11.395 7.834 1.00 0.00 C ATOM 554 O PRO A 43 3.054 12.386 7.104 1.00 0.00 O ATOM 555 CB PRO A 43 3.011 12.480 10.097 1.00 0.00 C ATOM 556 CG PRO A 43 3.967 11.672 10.905 1.00 0.00 C ATOM 557 CD PRO A 43 3.310 10.335 11.109 1.00 0.00 C ATOM 0 HA PRO A 43 1.271 11.714 8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.530 13.239 9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.297 13.002 10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.920 11.563 10.388 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.175 12.154 11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.043 9.529 11.148 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.749 10.301 12.043 1.00 0.00 H new ATOM 565 N LEU A 44 3.523 10.221 7.501 1.00 0.00 N ATOM 566 CA LEU A 44 4.210 10.024 6.228 1.00 0.00 C ATOM 567 C LEU A 44 3.315 9.287 5.236 1.00 0.00 C ATOM 568 O LEU A 44 3.130 9.731 4.103 1.00 0.00 O ATOM 569 CB LEU A 44 5.506 9.241 6.442 1.00 0.00 C ATOM 570 CG LEU A 44 6.565 9.385 5.349 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.189 10.771 5.389 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.635 8.313 5.497 1.00 0.00 C ATOM 0 H LEU A 44 3.486 9.391 8.093 1.00 0.00 H new ATOM 0 HA LEU A 44 4.449 11.004 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.945 9.555 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.257 8.185 6.541 1.00 0.00 H new ATOM 0 HG LEU A 44 6.080 9.255 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.940 10.855 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.416 11.523 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.659 10.931 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.380 8.432 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.116 8.411 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.176 7.328 5.417 1.00 0.00 H new ATOM 584 N LYS A 45 2.761 8.160 5.671 1.00 0.00 N ATOM 585 CA LYS A 45 1.883 7.363 4.823 1.00 0.00 C ATOM 586 C LYS A 45 0.647 8.160 4.418 1.00 0.00 C ATOM 587 O LYS A 45 0.378 8.346 3.232 1.00 0.00 O ATOM 588 CB LYS A 45 1.462 6.083 5.550 1.00 0.00 C ATOM 589 CG LYS A 45 2.380 4.903 5.283 1.00 0.00 C ATOM 590 CD LYS A 45 2.104 3.755 6.239 1.00 0.00 C ATOM 591 CE LYS A 45 2.995 3.827 7.469 1.00 0.00 C ATOM 592 NZ LYS A 45 3.179 2.492 8.101 1.00 0.00 N ATOM 0 H LYS A 45 2.905 7.778 6.606 1.00 0.00 H new ATOM 0 HA LYS A 45 2.434 7.097 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.435 6.276 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.448 5.820 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.247 4.563 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.418 5.219 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.058 3.778 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.266 2.807 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.967 4.233 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.559 4.514 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.161 2.396 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.533 2.399 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.972 1.747 7.405 1.00 0.00 H new ATOM 606 N ARG A 46 -0.101 8.629 5.412 1.00 0.00 N ATOM 607 CA ARG A 46 -1.308 9.406 5.159 1.00 0.00 C ATOM 608 C ARG A 46 -1.144 10.276 3.916 1.00 0.00 C ATOM 609 O ARG A 46 -2.041 10.354 3.078 1.00 0.00 O ATOM 610 CB ARG A 46 -1.639 10.282 6.368 1.00 0.00 C ATOM 611 CG ARG A 46 -2.021 9.490 7.608 1.00 0.00 C ATOM 612 CD ARG A 46 -1.868 10.324 8.871 1.00 0.00 C ATOM 613 NE ARG A 46 -2.722 9.841 9.952 1.00 0.00 N ATOM 614 CZ ARG A 46 -2.646 10.284 11.202 1.00 0.00 C ATOM 615 NH1 ARG A 46 -1.760 11.216 11.526 1.00 0.00 N ATOM 616 NH2 ARG A 46 -3.458 9.796 12.131 1.00 0.00 N ATOM 0 H ARG A 46 0.108 8.484 6.400 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.129 8.710 4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.777 10.909 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.459 10.951 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.052 9.148 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.395 8.600 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.827 10.304 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.114 11.363 8.651 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.415 9.124 9.736 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.135 11.595 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.704 11.554 12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.142 9.080 11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.399 10.137 13.090 1.00 0.00 H new ATOM 630 N ALA A 47 0.008 10.929 3.806 1.00 0.00 N ATOM 631 CA ALA A 47 0.291 11.792 2.665 1.00 0.00 C ATOM 632 C ALA A 47 1.066 11.042 1.588 1.00 0.00 C ATOM 633 O ALA A 47 2.294 11.100 1.540 1.00 0.00 O ATOM 634 CB ALA A 47 1.063 13.024 3.114 1.00 0.00 C ATOM 0 H ALA A 47 0.760 10.877 4.493 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.660 12.109 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.268 13.659 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.471 13.579 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.004 12.717 3.570 1.00 0.00 H new ATOM 640 N GLY A 48 0.341 10.338 0.724 1.00 0.00 N ATOM 641 CA GLY A 48 0.979 9.586 -0.340 1.00 0.00 C ATOM 642 C GLY A 48 0.884 8.088 -0.129 1.00 0.00 C ATOM 643 O GLY A 48 1.823 7.351 -0.432 1.00 0.00 O ATOM 0 H GLY A 48 -0.677 10.275 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.516 9.846 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.028 9.875 -0.406 1.00 0.00 H new ATOM 647 N TRP A 49 -0.251 7.637 0.393 1.00 0.00 N ATOM 648 CA TRP A 49 -0.463 6.216 0.646 1.00 0.00 C ATOM 649 C TRP A 49 -1.043 5.525 -0.583 1.00 0.00 C ATOM 650 O TRP A 49 -1.887 6.087 -1.281 1.00 0.00 O ATOM 651 CB TRP A 49 -1.397 6.024 1.842 1.00 0.00 C ATOM 652 CG TRP A 49 -1.497 4.599 2.296 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.604 3.923 3.078 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.548 3.675 1.993 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.037 2.635 3.279 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.227 2.458 2.624 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.729 3.758 1.251 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.045 1.335 2.534 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.540 2.642 1.162 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.196 1.444 1.802 1.00 0.00 C ATOM 0 H TRP A 49 -1.038 8.234 0.649 1.00 0.00 H new ATOM 0 HA TRP A 49 0.503 5.764 0.872 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.045 6.638 2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.391 6.384 1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.308 4.340 3.479 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.551 1.925 3.827 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.003 4.678 0.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.780 0.410 3.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.454 2.694 0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.852 0.590 1.716 1.00 0.00 H new ATOM 671 N GLN A 50 -0.585 4.304 -0.841 1.00 0.00 N ATOM 672 CA GLN A 50 -1.059 3.538 -1.988 1.00 0.00 C ATOM 673 C GLN A 50 -1.458 2.126 -1.571 1.00 0.00 C ATOM 674 O GLN A 50 -0.605 1.296 -1.254 1.00 0.00 O ATOM 675 CB GLN A 50 0.021 3.477 -3.069 1.00 0.00 C ATOM 676 CG GLN A 50 -0.007 4.660 -4.023 1.00 0.00 C ATOM 677 CD GLN A 50 0.646 4.351 -5.356 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.803 4.700 -5.590 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.095 3.692 -6.239 1.00 0.00 N ATOM 0 H GLN A 50 0.113 3.825 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.938 4.041 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.000 3.429 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.100 2.557 -3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.041 4.962 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.502 5.506 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.050 3.422 -6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.291 3.456 -7.153 1.00 0.00 H new ATOM 688 N CYS A 51 -2.760 1.859 -1.574 1.00 0.00 N ATOM 689 CA CYS A 51 -3.273 0.548 -1.195 1.00 0.00 C ATOM 690 C CYS A 51 -2.400 -0.564 -1.770 1.00 0.00 C ATOM 691 O CYS A 51 -1.686 -0.381 -2.756 1.00 0.00 O ATOM 692 CB CYS A 51 -4.714 0.382 -1.680 1.00 0.00 C ATOM 693 SG CYS A 51 -4.858 -0.230 -3.391 1.00 0.00 S ATOM 0 H CYS A 51 -3.479 2.534 -1.835 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.252 0.477 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.233 -0.308 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.224 1.342 -1.605 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.929 0.263 -3.939 1.00 0.00 H new ATOM 698 N PRO A 52 -2.457 -1.747 -1.139 1.00 0.00 N ATOM 699 CA PRO A 52 -1.679 -2.912 -1.570 1.00 0.00 C ATOM 700 C PRO A 52 -2.176 -3.484 -2.893 1.00 0.00 C ATOM 701 O PRO A 52 -1.556 -4.380 -3.464 1.00 0.00 O ATOM 702 CB PRO A 52 -1.894 -3.920 -0.438 1.00 0.00 C ATOM 703 CG PRO A 52 -3.196 -3.532 0.172 1.00 0.00 C ATOM 704 CD PRO A 52 -3.286 -2.037 0.043 1.00 0.00 C ATOM 0 HA PRO A 52 -0.633 -2.661 -1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.923 -4.941 -0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.086 -3.874 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.027 -4.018 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.243 -3.837 1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.315 -1.707 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.908 -1.533 0.933 1.00 0.00 H new ATOM 712 N GLU A 53 -3.298 -2.958 -3.376 1.00 0.00 N ATOM 713 CA GLU A 53 -3.877 -3.418 -4.632 1.00 0.00 C ATOM 714 C GLU A 53 -3.448 -2.521 -5.790 1.00 0.00 C ATOM 715 O GLU A 53 -3.677 -2.840 -6.957 1.00 0.00 O ATOM 716 CB GLU A 53 -5.404 -3.448 -4.535 1.00 0.00 C ATOM 717 CG GLU A 53 -5.925 -4.305 -3.395 1.00 0.00 C ATOM 718 CD GLU A 53 -7.436 -4.425 -3.398 1.00 0.00 C ATOM 719 OE1 GLU A 53 -8.110 -3.445 -3.019 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.945 -5.500 -3.779 1.00 0.00 O ATOM 0 H GLU A 53 -3.823 -2.214 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.512 -4.427 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.772 -2.430 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.812 -3.821 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.485 -5.300 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.600 -3.877 -2.446 1.00 0.00 H new ATOM 727 N CYS A 54 -2.823 -1.396 -5.458 1.00 0.00 N ATOM 728 CA CYS A 54 -2.362 -0.450 -6.467 1.00 0.00 C ATOM 729 C CYS A 54 -0.875 -0.154 -6.295 1.00 0.00 C ATOM 730 O CYS A 54 -0.196 0.246 -7.242 1.00 0.00 O ATOM 731 CB CYS A 54 -3.165 0.849 -6.385 1.00 0.00 C ATOM 732 SG CYS A 54 -4.910 0.677 -6.879 1.00 0.00 S ATOM 0 H CYS A 54 -2.624 -1.117 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.514 -0.901 -7.448 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.123 1.225 -5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.691 1.597 -7.020 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.677 1.000 -5.881 1.00 0.00 H new ATOM 737 N LYS A 55 -0.374 -0.352 -5.081 1.00 0.00 N ATOM 738 CA LYS A 55 1.032 -0.108 -4.783 1.00 0.00 C ATOM 739 C LYS A 55 1.933 -0.832 -5.778 1.00 0.00 C ATOM 740 O LYS A 55 1.559 -1.867 -6.330 1.00 0.00 O ATOM 741 CB LYS A 55 1.359 -0.562 -3.359 1.00 0.00 C ATOM 742 CG LYS A 55 1.513 -2.067 -3.221 1.00 0.00 C ATOM 743 CD LYS A 55 1.786 -2.470 -1.781 1.00 0.00 C ATOM 744 CE LYS A 55 3.227 -2.184 -1.386 1.00 0.00 C ATOM 745 NZ LYS A 55 3.476 -2.477 0.053 1.00 0.00 N ATOM 0 H LYS A 55 -0.922 -0.681 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 55 1.215 0.963 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.281 -0.080 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.570 -0.223 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.607 -2.560 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.329 -2.410 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.111 -1.930 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.576 -3.532 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.898 -2.784 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.459 -1.138 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.500 -2.534 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.069 -1.719 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.032 -3.383 0.305 1.00 0.00 H new ATOM 759 N VAL A 56 3.122 -0.282 -6.002 1.00 0.00 N ATOM 760 CA VAL A 56 4.077 -0.877 -6.930 1.00 0.00 C ATOM 761 C VAL A 56 5.496 -0.406 -6.634 1.00 0.00 C ATOM 762 O VAL A 56 5.703 0.533 -5.865 1.00 0.00 O ATOM 763 CB VAL A 56 3.728 -0.536 -8.390 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.377 -1.123 -8.768 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.743 0.970 -8.603 1.00 0.00 C ATOM 0 H VAL A 56 3.447 0.575 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 56 4.020 -1.957 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 56 4.483 -0.979 -9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.148 -0.871 -9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.407 -2.207 -8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.606 -0.712 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.494 1.193 -9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.010 1.438 -7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.735 1.360 -8.376 1.00 0.00 H new ATOM 775 N CYS A 57 6.473 -1.065 -7.249 1.00 0.00 N ATOM 776 CA CYS A 57 7.874 -0.714 -7.053 1.00 0.00 C ATOM 777 C CYS A 57 8.119 0.755 -7.386 1.00 0.00 C ATOM 778 O CYS A 57 7.408 1.344 -8.199 1.00 0.00 O ATOM 779 CB CYS A 57 8.769 -1.602 -7.920 1.00 0.00 C ATOM 780 SG CYS A 57 10.540 -1.504 -7.504 1.00 0.00 S ATOM 0 H CYS A 57 6.319 -1.845 -7.888 1.00 0.00 H new ATOM 0 HA CYS A 57 8.120 -0.875 -6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.440 -2.637 -7.822 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.636 -1.323 -8.965 1.00 0.00 H new ATOM 0 HG CYS A 57 11.105 -2.651 -7.738 1.00 0.00 H new ATOM 785 N GLN A 58 9.131 1.338 -6.751 1.00 0.00 N ATOM 786 CA GLN A 58 9.470 2.738 -6.980 1.00 0.00 C ATOM 787 C GLN A 58 10.718 2.861 -7.847 1.00 0.00 C ATOM 788 O GLN A 58 11.021 3.935 -8.366 1.00 0.00 O ATOM 789 CB GLN A 58 9.687 3.456 -5.647 1.00 0.00 C ATOM 790 CG GLN A 58 8.394 3.807 -4.927 1.00 0.00 C ATOM 791 CD GLN A 58 7.615 4.902 -5.629 1.00 0.00 C ATOM 792 OE1 GLN A 58 8.123 6.004 -5.841 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.373 4.605 -5.993 1.00 0.00 N ATOM 0 H GLN A 58 9.730 0.864 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 58 8.638 3.206 -7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.294 2.825 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.254 4.370 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.772 2.915 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.623 4.124 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.992 3.679 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.800 5.303 -6.468 1.00 0.00 H new ATOM 802 N ASN A 59 11.439 1.755 -7.998 1.00 0.00 N ATOM 803 CA ASN A 59 12.656 1.740 -8.802 1.00 0.00 C ATOM 804 C ASN A 59 12.337 1.461 -10.267 1.00 0.00 C ATOM 805 O ASN A 59 12.689 2.244 -11.151 1.00 0.00 O ATOM 806 CB ASN A 59 13.630 0.686 -8.271 1.00 0.00 C ATOM 807 CG ASN A 59 14.310 1.122 -6.987 1.00 0.00 C ATOM 808 OD1 ASN A 59 15.179 1.994 -6.998 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.917 0.515 -5.874 1.00 0.00 N ATOM 0 H ASN A 59 11.202 0.858 -7.575 1.00 0.00 H new ATOM 0 HA ASN A 59 13.121 2.723 -8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.093 -0.246 -8.096 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.387 0.480 -9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.339 0.766 -4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.193 -0.202 -5.913 1.00 0.00 H new ATOM 816 N CYS A 60 11.668 0.341 -10.519 1.00 0.00 N ATOM 817 CA CYS A 60 11.300 -0.042 -11.876 1.00 0.00 C ATOM 818 C CYS A 60 9.879 0.408 -12.203 1.00 0.00 C ATOM 819 O CYS A 60 9.532 0.611 -13.366 1.00 0.00 O ATOM 820 CB CYS A 60 11.419 -1.558 -12.050 1.00 0.00 C ATOM 821 SG CYS A 60 10.190 -2.514 -11.105 1.00 0.00 S ATOM 0 H CYS A 60 11.369 -0.318 -9.800 1.00 0.00 H new ATOM 0 HA CYS A 60 11.986 0.452 -12.564 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.317 -1.801 -13.108 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.418 -1.870 -11.746 1.00 0.00 H new ATOM 0 HG CYS A 60 10.369 -2.314 -9.833 1.00 0.00 H new ATOM 826 N LYS A 61 9.061 0.562 -11.167 1.00 0.00 N ATOM 827 CA LYS A 61 7.678 0.989 -11.341 1.00 0.00 C ATOM 828 C LYS A 61 6.881 -0.051 -12.122 1.00 0.00 C ATOM 829 O LYS A 61 6.168 0.283 -13.068 1.00 0.00 O ATOM 830 CB LYS A 61 7.626 2.336 -12.066 1.00 0.00 C ATOM 831 CG LYS A 61 8.238 3.478 -11.273 1.00 0.00 C ATOM 832 CD LYS A 61 7.310 3.946 -10.164 1.00 0.00 C ATOM 833 CE LYS A 61 6.365 5.034 -10.651 1.00 0.00 C ATOM 834 NZ LYS A 61 5.051 4.478 -11.077 1.00 0.00 N ATOM 0 H LYS A 61 9.332 0.397 -10.198 1.00 0.00 H new ATOM 0 HA LYS A 61 7.231 1.097 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.147 2.246 -13.019 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.587 2.577 -12.292 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.187 3.157 -10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.457 4.311 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.732 3.101 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.900 4.322 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.210 5.763 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.822 5.565 -11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.022 4.412 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.925 3.531 -10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.287 5.102 -10.748 1.00 0.00 H new ATOM 848 N GLN A 62 7.006 -1.311 -11.718 1.00 0.00 N ATOM 849 CA GLN A 62 6.297 -2.399 -12.380 1.00 0.00 C ATOM 850 C GLN A 62 5.698 -3.360 -11.359 1.00 0.00 C ATOM 851 O GLN A 62 6.400 -3.868 -10.484 1.00 0.00 O ATOM 852 CB GLN A 62 7.239 -3.155 -13.318 1.00 0.00 C ATOM 853 CG GLN A 62 7.833 -4.411 -12.701 1.00 0.00 C ATOM 854 CD GLN A 62 8.832 -5.094 -13.615 1.00 0.00 C ATOM 855 OE1 GLN A 62 8.629 -5.173 -14.827 1.00 0.00 O ATOM 856 NE2 GLN A 62 9.918 -5.592 -13.037 1.00 0.00 N ATOM 0 H GLN A 62 7.592 -1.603 -10.936 1.00 0.00 H new ATOM 0 HA GLN A 62 5.485 -1.966 -12.964 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.696 -3.427 -14.223 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.049 -2.490 -13.619 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.323 -4.153 -11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.030 -5.108 -12.461 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.045 -5.504 -12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.625 -6.063 -13.601 1.00 0.00 H new ATOM 865 N SER A 63 4.397 -3.605 -11.475 1.00 0.00 N ATOM 866 CA SER A 63 3.703 -4.502 -10.558 1.00 0.00 C ATOM 867 C SER A 63 3.747 -5.940 -11.068 1.00 0.00 C ATOM 868 O SER A 63 3.401 -6.214 -12.216 1.00 0.00 O ATOM 869 CB SER A 63 2.251 -4.057 -10.377 1.00 0.00 C ATOM 870 OG SER A 63 1.409 -4.657 -11.346 1.00 0.00 O ATOM 0 H SER A 63 3.802 -3.195 -12.195 1.00 0.00 H new ATOM 0 HA SER A 63 4.211 -4.461 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.908 -4.323 -9.377 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.187 -2.972 -10.457 1.00 0.00 H new ATOM 0 HG SER A 63 1.956 -5.040 -12.063 1.00 0.00 H new ATOM 876 N GLY A 64 4.175 -6.855 -10.203 1.00 0.00 N ATOM 877 CA GLY A 64 4.256 -8.253 -10.583 1.00 0.00 C ATOM 878 C GLY A 64 4.589 -9.154 -9.411 1.00 0.00 C ATOM 879 O GLY A 64 3.712 -9.823 -8.866 1.00 0.00 O ATOM 0 H GLY A 64 4.467 -6.653 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.306 -8.564 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.015 -8.373 -11.356 1.00 0.00 H new ATOM 883 N GLU A 65 5.860 -9.172 -9.023 1.00 0.00 N ATOM 884 CA GLU A 65 6.306 -10.001 -7.908 1.00 0.00 C ATOM 885 C GLU A 65 5.994 -9.331 -6.573 1.00 0.00 C ATOM 886 O GLU A 65 6.459 -8.224 -6.298 1.00 0.00 O ATOM 887 CB GLU A 65 7.808 -10.273 -8.016 1.00 0.00 C ATOM 888 CG GLU A 65 8.172 -11.250 -9.122 1.00 0.00 C ATOM 889 CD GLU A 65 8.054 -12.697 -8.685 1.00 0.00 C ATOM 890 OE1 GLU A 65 7.046 -13.038 -8.031 1.00 0.00 O ATOM 891 OE2 GLU A 65 8.968 -13.488 -8.997 1.00 0.00 O ATOM 0 H GLU A 65 6.599 -8.623 -9.463 1.00 0.00 H new ATOM 0 HA GLU A 65 5.768 -10.948 -7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.328 -9.331 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.167 -10.664 -7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.522 -11.080 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.193 -11.056 -9.451 1.00 0.00 H new ATOM 898 N ASP A 66 5.204 -10.009 -5.749 1.00 0.00 N ATOM 899 CA ASP A 66 4.830 -9.480 -4.442 1.00 0.00 C ATOM 900 C ASP A 66 5.730 -10.046 -3.348 1.00 0.00 C ATOM 901 O ASP A 66 6.438 -9.304 -2.668 1.00 0.00 O ATOM 902 CB ASP A 66 3.367 -9.808 -4.136 1.00 0.00 C ATOM 903 CG ASP A 66 3.044 -11.273 -4.354 1.00 0.00 C ATOM 904 OD1 ASP A 66 3.373 -11.798 -5.439 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.464 -11.895 -3.440 1.00 0.00 O ATOM 0 H ASP A 66 4.810 -10.925 -5.962 1.00 0.00 H new ATOM 0 HA ASP A 66 4.955 -8.397 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.146 -9.540 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.721 -9.199 -4.768 1.00 0.00 H new ATOM 910 N SER A 67 5.698 -11.365 -3.185 1.00 0.00 N ATOM 911 CA SER A 67 6.507 -12.030 -2.171 1.00 0.00 C ATOM 912 C SER A 67 7.876 -11.368 -2.049 1.00 0.00 C ATOM 913 O SER A 67 8.227 -10.829 -0.999 1.00 0.00 O ATOM 914 CB SER A 67 6.673 -13.512 -2.512 1.00 0.00 C ATOM 915 OG SER A 67 5.418 -14.168 -2.564 1.00 0.00 O ATOM 0 H SER A 67 5.120 -11.994 -3.743 1.00 0.00 H new ATOM 0 HA SER A 67 5.993 -11.940 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.179 -13.613 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.306 -13.991 -1.766 1.00 0.00 H new ATOM 0 HG SER A 67 5.552 -15.113 -2.785 1.00 0.00 H new ATOM 921 N LYS A 68 8.647 -11.413 -3.130 1.00 0.00 N ATOM 922 CA LYS A 68 9.978 -10.818 -3.148 1.00 0.00 C ATOM 923 C LYS A 68 9.915 -9.335 -2.794 1.00 0.00 C ATOM 924 O LYS A 68 10.760 -8.827 -2.058 1.00 0.00 O ATOM 925 CB LYS A 68 10.622 -10.998 -4.524 1.00 0.00 C ATOM 926 CG LYS A 68 10.814 -12.451 -4.920 1.00 0.00 C ATOM 927 CD LYS A 68 11.632 -12.579 -6.194 1.00 0.00 C ATOM 928 CE LYS A 68 11.875 -14.036 -6.557 1.00 0.00 C ATOM 929 NZ LYS A 68 12.753 -14.171 -7.752 1.00 0.00 N ATOM 0 H LYS A 68 8.372 -11.856 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 68 10.586 -11.327 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.003 -10.505 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.590 -10.497 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.312 -12.986 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.841 -12.922 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.113 -12.081 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.588 -12.071 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.332 -14.550 -5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.921 -14.526 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.894 -15.179 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.306 -13.703 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.673 -13.726 -7.559 1.00 0.00 H new ATOM 943 N MET A 69 8.907 -8.648 -3.322 1.00 0.00 N ATOM 944 CA MET A 69 8.734 -7.224 -3.059 1.00 0.00 C ATOM 945 C MET A 69 8.778 -6.938 -1.561 1.00 0.00 C ATOM 946 O MET A 69 7.921 -7.398 -0.805 1.00 0.00 O ATOM 947 CB MET A 69 7.408 -6.733 -3.644 1.00 0.00 C ATOM 948 CG MET A 69 7.254 -5.221 -3.617 1.00 0.00 C ATOM 949 SD MET A 69 5.624 -4.679 -4.166 1.00 0.00 S ATOM 950 CE MET A 69 6.056 -3.729 -5.622 1.00 0.00 C ATOM 0 H MET A 69 8.199 -9.054 -3.934 1.00 0.00 H new ATOM 0 HA MET A 69 9.555 -6.690 -3.538 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.324 -7.080 -4.674 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.586 -7.184 -3.088 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.431 -4.860 -2.604 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.016 -4.771 -4.253 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.240 -3.777 -6.343 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.230 -2.691 -5.340 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.961 -4.140 -6.070 1.00 0.00 H new ATOM 960 N LEU A 70 9.782 -6.177 -1.138 1.00 0.00 N ATOM 961 CA LEU A 70 9.938 -5.830 0.270 1.00 0.00 C ATOM 962 C LEU A 70 9.096 -4.609 0.627 1.00 0.00 C ATOM 963 O LEU A 70 9.453 -3.478 0.297 1.00 0.00 O ATOM 964 CB LEU A 70 11.409 -5.560 0.589 1.00 0.00 C ATOM 965 CG LEU A 70 12.369 -6.730 0.370 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.778 -6.222 0.103 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.355 -7.663 1.571 1.00 0.00 C ATOM 0 H LEU A 70 10.500 -5.789 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 70 9.592 -6.674 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.744 -4.722 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.483 -5.246 1.630 1.00 0.00 H new ATOM 0 HG LEU A 70 12.035 -7.290 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.447 -7.069 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.776 -5.595 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.122 -5.638 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.044 -8.490 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.663 -7.115 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.348 -8.054 1.716 1.00 0.00 H new ATOM 979 N VAL A 71 7.977 -4.846 1.304 1.00 0.00 N ATOM 980 CA VAL A 71 7.085 -3.765 1.709 1.00 0.00 C ATOM 981 C VAL A 71 7.645 -3.012 2.910 1.00 0.00 C ATOM 982 O VAL A 71 7.784 -3.572 3.998 1.00 0.00 O ATOM 983 CB VAL A 71 5.682 -4.296 2.058 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.781 -3.161 2.520 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.075 -5.019 0.865 1.00 0.00 C ATOM 0 H VAL A 71 7.666 -5.776 1.584 1.00 0.00 H new ATOM 0 HA VAL A 71 7.007 -3.084 0.861 1.00 0.00 H new ATOM 0 HB VAL A 71 5.775 -5.009 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.794 -3.555 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.211 -2.692 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.691 -2.421 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.084 -5.388 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.994 -4.330 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.712 -5.858 0.586 1.00 0.00 H new ATOM 995 N CYS A 72 7.965 -1.738 2.707 1.00 0.00 N ATOM 996 CA CYS A 72 8.510 -0.906 3.772 1.00 0.00 C ATOM 997 C CYS A 72 7.480 -0.696 4.878 1.00 0.00 C ATOM 998 O CYS A 72 6.287 -0.934 4.684 1.00 0.00 O ATOM 999 CB CYS A 72 8.958 0.446 3.214 1.00 0.00 C ATOM 1000 SG CYS A 72 10.095 1.360 4.304 1.00 0.00 S ATOM 0 H CYS A 72 7.856 -1.259 1.813 1.00 0.00 H new ATOM 0 HA CYS A 72 9.373 -1.420 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.444 0.287 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.077 1.060 3.029 1.00 0.00 H new ATOM 0 HG CYS A 72 10.921 2.058 3.582 1.00 0.00 H new ATOM 1005 N ASP A 73 7.948 -0.248 6.038 1.00 0.00 N ATOM 1006 CA ASP A 73 7.069 -0.003 7.175 1.00 0.00 C ATOM 1007 C ASP A 73 6.834 1.492 7.369 1.00 0.00 C ATOM 1008 O ASP A 73 5.729 1.919 7.708 1.00 0.00 O ATOM 1009 CB ASP A 73 7.665 -0.607 8.447 1.00 0.00 C ATOM 1010 CG ASP A 73 6.602 -1.017 9.447 1.00 0.00 C ATOM 1011 OD1 ASP A 73 5.522 -0.390 9.456 1.00 0.00 O ATOM 1012 OD2 ASP A 73 6.849 -1.965 10.221 1.00 0.00 O ATOM 0 H ASP A 73 8.932 -0.047 6.215 1.00 0.00 H new ATOM 0 HA ASP A 73 6.110 -0.479 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.268 -1.477 8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.335 0.117 8.910 1.00 0.00 H new ATOM 1017 N THR A 74 7.880 2.283 7.152 1.00 0.00 N ATOM 1018 CA THR A 74 7.788 3.730 7.305 1.00 0.00 C ATOM 1019 C THR A 74 7.007 4.355 6.155 1.00 0.00 C ATOM 1020 O THR A 74 5.975 4.993 6.366 1.00 0.00 O ATOM 1021 CB THR A 74 9.184 4.377 7.374 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.856 3.965 8.570 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.079 5.894 7.342 1.00 0.00 C ATOM 0 H THR A 74 8.801 1.946 6.870 1.00 0.00 H new ATOM 0 HA THR A 74 7.263 3.917 8.242 1.00 0.00 H new ATOM 0 HB THR A 74 9.756 4.050 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.743 4.379 8.606 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.077 6.329 7.392 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.593 6.206 6.417 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.491 6.236 8.194 1.00 0.00 H new ATOM 1031 N CYS A 75 7.505 4.169 4.937 1.00 0.00 N ATOM 1032 CA CYS A 75 6.854 4.716 3.753 1.00 0.00 C ATOM 1033 C CYS A 75 5.846 3.723 3.180 1.00 0.00 C ATOM 1034 O CYS A 75 4.871 4.114 2.538 1.00 0.00 O ATOM 1035 CB CYS A 75 7.896 5.071 2.691 1.00 0.00 C ATOM 1036 SG CYS A 75 8.594 3.631 1.821 1.00 0.00 S ATOM 0 H CYS A 75 8.358 3.643 4.744 1.00 0.00 H new ATOM 0 HA CYS A 75 6.321 5.620 4.046 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.440 5.738 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.707 5.624 3.164 1.00 0.00 H new ATOM 0 HG CYS A 75 9.275 2.906 2.658 1.00 0.00 H new ATOM 1041 N ASP A 76 6.089 2.439 3.416 1.00 0.00 N ATOM 1042 CA ASP A 76 5.203 1.390 2.925 1.00 0.00 C ATOM 1043 C ASP A 76 4.931 1.562 1.434 1.00 0.00 C ATOM 1044 O ASP A 76 3.797 1.412 0.977 1.00 0.00 O ATOM 1045 CB ASP A 76 3.885 1.401 3.702 1.00 0.00 C ATOM 1046 CG ASP A 76 3.911 0.474 4.900 1.00 0.00 C ATOM 1047 OD1 ASP A 76 3.586 -0.721 4.733 1.00 0.00 O ATOM 1048 OD2 ASP A 76 4.256 0.942 6.005 1.00 0.00 O ATOM 0 H ASP A 76 6.892 2.099 3.945 1.00 0.00 H new ATOM 0 HA ASP A 76 5.697 0.430 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.673 2.416 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.072 1.108 3.037 1.00 0.00 H new ATOM 1053 N LYS A 77 5.978 1.879 0.680 1.00 0.00 N ATOM 1054 CA LYS A 77 5.853 2.072 -0.760 1.00 0.00 C ATOM 1055 C LYS A 77 5.961 0.742 -1.499 1.00 0.00 C ATOM 1056 O LYS A 77 5.001 0.284 -2.116 1.00 0.00 O ATOM 1057 CB LYS A 77 6.932 3.035 -1.261 1.00 0.00 C ATOM 1058 CG LYS A 77 6.483 4.486 -1.299 1.00 0.00 C ATOM 1059 CD LYS A 77 5.806 4.894 0.000 1.00 0.00 C ATOM 1060 CE LYS A 77 5.750 6.406 0.147 1.00 0.00 C ATOM 1061 NZ LYS A 77 5.308 6.815 1.510 1.00 0.00 N ATOM 0 H LYS A 77 6.923 2.008 1.042 1.00 0.00 H new ATOM 0 HA LYS A 77 4.871 2.500 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.808 2.951 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.241 2.733 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.344 5.130 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.795 4.633 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.795 4.487 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.346 4.465 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.734 6.827 -0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.066 6.818 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.445 7.391 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.111 5.968 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.059 7.372 1.966 1.00 0.00 H new ATOM 1075 N GLY A 78 7.137 0.125 -1.429 1.00 0.00 N ATOM 1076 CA GLY A 78 7.348 -1.147 -2.094 1.00 0.00 C ATOM 1077 C GLY A 78 8.593 -1.150 -2.959 1.00 0.00 C ATOM 1078 O GLY A 78 8.748 -0.302 -3.839 1.00 0.00 O ATOM 0 H GLY A 78 7.947 0.484 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.427 -1.936 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.480 -1.379 -2.711 1.00 0.00 H new ATOM 1082 N TYR A 79 9.483 -2.104 -2.709 1.00 0.00 N ATOM 1083 CA TYR A 79 10.722 -2.210 -3.469 1.00 0.00 C ATOM 1084 C TYR A 79 11.145 -3.669 -3.620 1.00 0.00 C ATOM 1085 O TYR A 79 11.281 -4.393 -2.634 1.00 0.00 O ATOM 1086 CB TYR A 79 11.835 -1.414 -2.785 1.00 0.00 C ATOM 1087 CG TYR A 79 11.458 0.019 -2.486 1.00 0.00 C ATOM 1088 CD1 TYR A 79 10.702 0.339 -1.364 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.856 1.053 -3.324 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.354 1.647 -1.087 1.00 0.00 C ATOM 1091 CE2 TYR A 79 11.514 2.364 -3.054 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.763 2.656 -1.935 1.00 0.00 C ATOM 1093 OH TYR A 79 10.419 3.960 -1.663 1.00 0.00 O ATOM 0 H TYR A 79 9.369 -2.815 -1.986 1.00 0.00 H new ATOM 0 HA TYR A 79 10.546 -1.796 -4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.106 -1.911 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.720 -1.423 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.381 -0.448 -0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.443 0.828 -4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.765 1.879 -0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.833 3.156 -3.716 1.00 0.00 H new ATOM 0 HH TYR A 79 10.786 4.547 -2.357 1.00 0.00 H new ATOM 1103 N HIS A 80 11.351 -4.092 -4.863 1.00 0.00 N ATOM 1104 CA HIS A 80 11.759 -5.464 -5.146 1.00 0.00 C ATOM 1105 C HIS A 80 13.130 -5.758 -4.543 1.00 0.00 C ATOM 1106 O HIS A 80 13.814 -4.855 -4.059 1.00 0.00 O ATOM 1107 CB HIS A 80 11.789 -5.709 -6.655 1.00 0.00 C ATOM 1108 CG HIS A 80 10.465 -5.499 -7.322 1.00 0.00 C ATOM 1109 ND1 HIS A 80 10.325 -4.844 -8.527 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.217 -5.865 -6.947 1.00 0.00 C ATOM 1111 CE1 HIS A 80 9.048 -4.814 -8.864 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.354 -5.427 -7.921 1.00 0.00 N ATOM 0 H HIS A 80 11.242 -3.505 -5.690 1.00 0.00 H new ATOM 0 HA HIS A 80 11.030 -6.135 -4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.524 -5.044 -7.108 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.123 -6.729 -6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.950 -6.402 -6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.641 -4.365 -9.758 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.342 -5.554 -7.917 1.00 0.00 H new ATOM 1120 N THR A 81 13.525 -7.027 -4.574 1.00 0.00 N ATOM 1121 CA THR A 81 14.812 -7.440 -4.030 1.00 0.00 C ATOM 1122 C THR A 81 15.940 -7.168 -5.018 1.00 0.00 C ATOM 1123 O THR A 81 17.085 -6.947 -4.623 1.00 0.00 O ATOM 1124 CB THR A 81 14.814 -8.937 -3.666 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.270 -9.704 -4.746 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.006 -9.187 -2.402 1.00 0.00 C ATOM 0 H THR A 81 12.971 -7.787 -4.970 1.00 0.00 H new ATOM 0 HA THR A 81 14.975 -6.853 -3.126 1.00 0.00 H new ATOM 0 HB THR A 81 15.844 -9.244 -3.486 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.270 -9.164 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.022 -10.251 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.440 -8.624 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.976 -8.865 -2.559 1.00 0.00 H new ATOM 1134 N PHE A 82 15.610 -7.184 -6.305 1.00 0.00 N ATOM 1135 CA PHE A 82 16.596 -6.938 -7.351 1.00 0.00 C ATOM 1136 C PHE A 82 16.442 -5.533 -7.926 1.00 0.00 C ATOM 1137 O PHE A 82 16.808 -5.275 -9.073 1.00 0.00 O ATOM 1138 CB PHE A 82 16.456 -7.976 -8.467 1.00 0.00 C ATOM 1139 CG PHE A 82 15.045 -8.446 -8.675 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.472 -9.365 -7.811 1.00 0.00 C ATOM 1141 CD2 PHE A 82 14.291 -7.968 -9.735 1.00 0.00 C ATOM 1142 CE1 PHE A 82 13.174 -9.800 -8.000 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.992 -8.399 -9.928 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.433 -9.316 -9.061 1.00 0.00 C ATOM 0 H PHE A 82 14.667 -7.365 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 82 17.588 -7.022 -6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.829 -7.549 -9.398 1.00 0.00 H new ATOM 0 HB3 PHE A 82 17.086 -8.835 -8.235 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.047 -9.746 -6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.723 -7.251 -10.418 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.739 -10.517 -7.319 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.414 -8.018 -10.757 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.419 -9.654 -9.212 1.00 0.00 H new ATOM 1154 N CYS A 83 15.896 -4.628 -7.120 1.00 0.00 N ATOM 1155 CA CYS A 83 15.691 -3.249 -7.547 1.00 0.00 C ATOM 1156 C CYS A 83 16.372 -2.276 -6.588 1.00 0.00 C ATOM 1157 O CYS A 83 16.588 -1.110 -6.920 1.00 0.00 O ATOM 1158 CB CYS A 83 14.196 -2.936 -7.631 1.00 0.00 C ATOM 1159 SG CYS A 83 13.430 -3.387 -9.221 1.00 0.00 S ATOM 0 H CYS A 83 15.588 -4.825 -6.168 1.00 0.00 H new ATOM 0 HA CYS A 83 16.136 -3.131 -8.535 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.680 -3.463 -6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.049 -1.870 -7.458 1.00 0.00 H new ATOM 0 HG CYS A 83 12.271 -3.935 -9.004 1.00 0.00 H new ATOM 1164 N LEU A 84 16.708 -2.764 -5.399 1.00 0.00 N ATOM 1165 CA LEU A 84 17.365 -1.939 -4.392 1.00 0.00 C ATOM 1166 C LEU A 84 18.853 -1.790 -4.696 1.00 0.00 C ATOM 1167 O LEU A 84 19.460 -2.666 -5.311 1.00 0.00 O ATOM 1168 CB LEU A 84 17.176 -2.549 -3.002 1.00 0.00 C ATOM 1169 CG LEU A 84 15.765 -2.465 -2.419 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.561 -3.535 -1.358 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.508 -1.081 -1.839 1.00 0.00 C ATOM 0 H LEU A 84 16.536 -3.727 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 84 16.908 -0.950 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.468 -3.598 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.862 -2.055 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 84 15.050 -2.639 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.551 -3.460 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.701 -4.520 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.284 -3.393 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.499 -1.040 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.230 -0.878 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.611 -0.332 -2.625 1.00 0.00 H new ATOM 1183 N GLN A 85 19.432 -0.677 -4.258 1.00 0.00 N ATOM 1184 CA GLN A 85 20.849 -0.415 -4.482 1.00 0.00 C ATOM 1185 C GLN A 85 21.571 -0.161 -3.163 1.00 0.00 C ATOM 1186 O GLN A 85 21.496 0.923 -2.585 1.00 0.00 O ATOM 1187 CB GLN A 85 21.026 0.786 -5.413 1.00 0.00 C ATOM 1188 CG GLN A 85 20.179 1.987 -5.025 1.00 0.00 C ATOM 1189 CD GLN A 85 20.232 3.097 -6.056 1.00 0.00 C ATOM 1190 OE1 GLN A 85 21.209 3.228 -6.794 1.00 0.00 O ATOM 1191 NE2 GLN A 85 19.179 3.904 -6.112 1.00 0.00 N ATOM 0 H GLN A 85 18.943 0.057 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 85 21.286 -1.297 -4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 85 22.076 1.079 -5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.773 0.487 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 85 19.145 1.669 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.520 2.372 -4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.391 3.759 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.158 4.669 -6.786 1.00 0.00 H new ATOM 1200 N PRO A 86 22.288 -1.184 -2.675 1.00 0.00 N ATOM 1201 CA PRO A 86 22.385 -2.479 -3.355 1.00 0.00 C ATOM 1202 C PRO A 86 21.071 -3.253 -3.316 1.00 0.00 C ATOM 1203 O PRO A 86 20.101 -2.819 -2.695 1.00 0.00 O ATOM 1204 CB PRO A 86 23.464 -3.218 -2.560 1.00 0.00 C ATOM 1205 CG PRO A 86 23.429 -2.597 -1.206 1.00 0.00 C ATOM 1206 CD PRO A 86 23.059 -1.155 -1.421 1.00 0.00 C ATOM 0 HA PRO A 86 22.619 -2.367 -4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.257 -4.287 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.444 -3.104 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.700 -3.096 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.397 -2.682 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.466 -0.765 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.942 -0.522 -1.507 1.00 0.00 H new ATOM 1214 N VAL A 87 21.047 -4.403 -3.984 1.00 0.00 N ATOM 1215 CA VAL A 87 19.853 -5.238 -4.024 1.00 0.00 C ATOM 1216 C VAL A 87 19.788 -6.162 -2.813 1.00 0.00 C ATOM 1217 O VAL A 87 20.799 -6.419 -2.160 1.00 0.00 O ATOM 1218 CB VAL A 87 19.807 -6.089 -5.308 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.170 -5.305 -6.445 1.00 0.00 C ATOM 1220 CG2 VAL A 87 21.204 -6.556 -5.688 1.00 0.00 C ATOM 0 H VAL A 87 21.841 -4.777 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 87 18.995 -4.566 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 87 19.194 -6.970 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.146 -5.922 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 87 18.153 -5.026 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.754 -4.405 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 87 21.153 -7.156 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.843 -5.690 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 87 21.619 -7.158 -4.879 1.00 0.00 H new ATOM 1230 N MET A 88 18.590 -6.658 -2.518 1.00 0.00 N ATOM 1231 CA MET A 88 18.393 -7.555 -1.386 1.00 0.00 C ATOM 1232 C MET A 88 18.257 -9.001 -1.854 1.00 0.00 C ATOM 1233 O MET A 88 17.174 -9.584 -1.795 1.00 0.00 O ATOM 1234 CB MET A 88 17.151 -7.145 -0.593 1.00 0.00 C ATOM 1235 CG MET A 88 17.403 -6.012 0.389 1.00 0.00 C ATOM 1236 SD MET A 88 18.135 -6.584 1.935 1.00 0.00 S ATOM 1237 CE MET A 88 16.765 -6.349 3.065 1.00 0.00 C ATOM 0 H MET A 88 17.742 -6.454 -3.047 1.00 0.00 H new ATOM 0 HA MET A 88 19.268 -7.482 -0.741 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.368 -6.844 -1.289 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.776 -8.011 -0.047 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.063 -5.277 -0.071 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.462 -5.505 0.603 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.781 -7.131 3.824 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.853 -5.375 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 88 15.826 -6.398 2.514 1.00 0.00 H new ATOM 1247 N LYS A 89 19.361 -9.573 -2.320 1.00 0.00 N ATOM 1248 CA LYS A 89 19.367 -10.951 -2.799 1.00 0.00 C ATOM 1249 C LYS A 89 18.424 -11.818 -1.970 1.00 0.00 C ATOM 1250 O LYS A 89 17.789 -12.734 -2.492 1.00 0.00 O ATOM 1251 CB LYS A 89 20.784 -11.525 -2.746 1.00 0.00 C ATOM 1252 CG LYS A 89 21.060 -12.563 -3.820 1.00 0.00 C ATOM 1253 CD LYS A 89 21.141 -11.930 -5.199 1.00 0.00 C ATOM 1254 CE LYS A 89 22.442 -11.164 -5.385 1.00 0.00 C ATOM 1255 NZ LYS A 89 23.523 -12.032 -5.928 1.00 0.00 N ATOM 0 H LYS A 89 20.265 -9.104 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 89 19.020 -10.952 -3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.501 -10.710 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.948 -11.975 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.996 -13.077 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 89 20.272 -13.316 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 89 21.062 -12.705 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.297 -11.255 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.276 -10.325 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.757 -10.746 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 24.393 -11.474 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 23.699 -12.819 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.233 -12.411 -6.852 1.00 0.00 H new ATOM 1269 N SER A 90 18.337 -11.521 -0.677 1.00 0.00 N ATOM 1270 CA SER A 90 17.473 -12.275 0.223 1.00 0.00 C ATOM 1271 C SER A 90 16.525 -11.344 0.973 1.00 0.00 C ATOM 1272 O SER A 90 16.614 -10.122 0.855 1.00 0.00 O ATOM 1273 CB SER A 90 18.314 -13.075 1.220 1.00 0.00 C ATOM 1274 OG SER A 90 19.010 -14.126 0.572 1.00 0.00 O ATOM 0 H SER A 90 18.854 -10.764 -0.230 1.00 0.00 H new ATOM 0 HA SER A 90 16.879 -12.965 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.026 -12.413 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.669 -13.486 1.997 1.00 0.00 H new ATOM 0 HG SER A 90 19.541 -14.621 1.230 1.00 0.00 H new ATOM 1280 N VAL A 91 15.616 -11.931 1.745 1.00 0.00 N ATOM 1281 CA VAL A 91 14.651 -11.156 2.516 1.00 0.00 C ATOM 1282 C VAL A 91 14.950 -11.235 4.009 1.00 0.00 C ATOM 1283 O VAL A 91 15.268 -12.294 4.549 1.00 0.00 O ATOM 1284 CB VAL A 91 13.212 -11.643 2.266 1.00 0.00 C ATOM 1285 CG1 VAL A 91 12.228 -10.867 3.127 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.857 -11.518 0.792 1.00 0.00 C ATOM 0 H VAL A 91 15.528 -12.941 1.853 1.00 0.00 H new ATOM 0 HA VAL A 91 14.739 -10.121 2.185 1.00 0.00 H new ATOM 0 HB VAL A 91 13.149 -12.695 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.216 -11.225 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.472 -11.012 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.289 -9.806 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.837 -11.866 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.936 -10.475 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.544 -12.123 0.200 1.00 0.00 H new ATOM 1296 N PRO A 92 14.846 -10.087 4.694 1.00 0.00 N ATOM 1297 CA PRO A 92 15.100 -9.999 6.136 1.00 0.00 C ATOM 1298 C PRO A 92 14.025 -10.702 6.957 1.00 0.00 C ATOM 1299 O PRO A 92 13.020 -11.166 6.418 1.00 0.00 O ATOM 1300 CB PRO A 92 15.082 -8.493 6.408 1.00 0.00 C ATOM 1301 CG PRO A 92 14.236 -7.921 5.324 1.00 0.00 C ATOM 1302 CD PRO A 92 14.471 -8.785 4.115 1.00 0.00 C ATOM 0 HA PRO A 92 16.035 -10.485 6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.667 -8.274 7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.088 -8.075 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.184 -7.925 5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.508 -6.885 5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.577 -8.863 3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.262 -8.384 3.482 1.00 0.00 H new ATOM 1310 N THR A 93 14.241 -10.776 8.267 1.00 0.00 N ATOM 1311 CA THR A 93 13.291 -11.422 9.163 1.00 0.00 C ATOM 1312 C THR A 93 12.206 -10.449 9.609 1.00 0.00 C ATOM 1313 O THR A 93 11.028 -10.640 9.312 1.00 0.00 O ATOM 1314 CB THR A 93 13.994 -11.995 10.409 1.00 0.00 C ATOM 1315 OG1 THR A 93 15.017 -12.916 10.013 1.00 0.00 O ATOM 1316 CG2 THR A 93 12.997 -12.697 11.318 1.00 0.00 C ATOM 0 H THR A 93 15.066 -10.396 8.731 1.00 0.00 H new ATOM 0 HA THR A 93 12.835 -12.239 8.604 1.00 0.00 H new ATOM 0 HB THR A 93 14.443 -11.168 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.461 -13.275 10.810 1.00 0.00 H new ATOM 0 HG21 THR A 93 13.516 -13.093 12.191 1.00 0.00 H new ATOM 0 HG22 THR A 93 12.236 -11.987 11.640 1.00 0.00 H new ATOM 0 HG23 THR A 93 12.523 -13.515 10.775 1.00 0.00 H new ATOM 1324 N ASN A 94 12.612 -9.404 10.323 1.00 0.00 N ATOM 1325 CA ASN A 94 11.673 -8.399 10.810 1.00 0.00 C ATOM 1326 C ASN A 94 12.386 -7.080 11.092 1.00 0.00 C ATOM 1327 O ASN A 94 13.505 -7.064 11.603 1.00 0.00 O ATOM 1328 CB ASN A 94 10.975 -8.896 12.077 1.00 0.00 C ATOM 1329 CG ASN A 94 11.902 -9.693 12.974 1.00 0.00 C ATOM 1330 OD1 ASN A 94 13.125 -9.599 12.862 1.00 0.00 O ATOM 1331 ND2 ASN A 94 11.323 -10.484 13.870 1.00 0.00 N ATOM 0 H ASN A 94 13.585 -9.231 10.577 1.00 0.00 H new ATOM 0 HA ASN A 94 10.926 -8.229 10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.583 -8.043 12.631 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.122 -9.515 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.896 -11.045 14.501 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.306 -10.531 13.927 1.00 0.00 H new ATOM 1338 N GLY A 95 11.728 -5.975 10.756 1.00 0.00 N ATOM 1339 CA GLY A 95 12.313 -4.666 10.982 1.00 0.00 C ATOM 1340 C GLY A 95 13.174 -4.208 9.821 1.00 0.00 C ATOM 1341 O GLY A 95 14.388 -4.066 9.958 1.00 0.00 O ATOM 0 H GLY A 95 10.801 -5.963 10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.518 -3.940 11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.916 -4.693 11.889 1.00 0.00 H new ATOM 1345 N TRP A 96 12.544 -3.978 8.674 1.00 0.00 N ATOM 1346 CA TRP A 96 13.261 -3.536 7.484 1.00 0.00 C ATOM 1347 C TRP A 96 12.970 -2.069 7.188 1.00 0.00 C ATOM 1348 O TRP A 96 11.955 -1.526 7.624 1.00 0.00 O ATOM 1349 CB TRP A 96 12.875 -4.398 6.281 1.00 0.00 C ATOM 1350 CG TRP A 96 13.534 -3.967 5.005 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.846 -4.132 4.664 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.911 -3.298 3.903 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.076 -3.606 3.416 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.906 -3.089 2.927 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.611 -2.857 3.644 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.638 -2.458 1.716 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.347 -2.230 2.442 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.356 -2.036 1.489 1.00 0.00 C ATOM 0 H TRP A 96 11.539 -4.090 8.543 1.00 0.00 H new ATOM 0 HA TRP A 96 14.329 -3.645 7.672 1.00 0.00 H new ATOM 0 HB2 TRP A 96 13.140 -5.435 6.486 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.793 -4.365 6.152 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.593 -4.606 5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.974 -3.601 2.932 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.826 -3.004 4.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.415 -2.307 0.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.346 -1.883 2.233 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.117 -1.544 0.558 1.00 0.00 H new ATOM 1369 N LYS A 97 13.867 -1.431 6.443 1.00 0.00 N ATOM 1370 CA LYS A 97 13.706 -0.026 6.086 1.00 0.00 C ATOM 1371 C LYS A 97 14.321 0.262 4.720 1.00 0.00 C ATOM 1372 O LYS A 97 15.497 -0.019 4.486 1.00 0.00 O ATOM 1373 CB LYS A 97 14.352 0.867 7.147 1.00 0.00 C ATOM 1374 CG LYS A 97 13.680 2.221 7.293 1.00 0.00 C ATOM 1375 CD LYS A 97 14.528 3.180 8.113 1.00 0.00 C ATOM 1376 CE LYS A 97 14.307 2.983 9.605 1.00 0.00 C ATOM 1377 NZ LYS A 97 13.010 3.558 10.055 1.00 0.00 N ATOM 0 H LYS A 97 14.713 -1.865 6.075 1.00 0.00 H new ATOM 0 HA LYS A 97 12.639 0.192 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.326 0.352 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.401 1.017 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.499 2.647 6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.707 2.096 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.581 3.029 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.284 4.207 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.333 1.919 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.122 3.450 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.978 3.572 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.916 4.528 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.228 2.976 9.693 1.00 0.00 H new ATOM 1391 N CYS A 98 13.520 0.825 3.823 1.00 0.00 N ATOM 1392 CA CYS A 98 13.985 1.153 2.480 1.00 0.00 C ATOM 1393 C CYS A 98 14.934 2.348 2.510 1.00 0.00 C ATOM 1394 O CYS A 98 14.900 3.160 3.435 1.00 0.00 O ATOM 1395 CB CYS A 98 12.797 1.454 1.565 1.00 0.00 C ATOM 1396 SG CYS A 98 12.213 3.178 1.647 1.00 0.00 S ATOM 0 H CYS A 98 12.545 1.064 4.001 1.00 0.00 H new ATOM 0 HA CYS A 98 14.526 0.291 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.077 1.225 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.973 0.790 1.827 1.00 0.00 H new ATOM 0 HG CYS A 98 10.914 3.194 1.703 1.00 0.00 H new ATOM 1401 N LYS A 99 15.780 2.450 1.491 1.00 0.00 N ATOM 1402 CA LYS A 99 16.737 3.546 1.397 1.00 0.00 C ATOM 1403 C LYS A 99 16.036 4.894 1.532 1.00 0.00 C ATOM 1404 O LYS A 99 16.317 5.661 2.452 1.00 0.00 O ATOM 1405 CB LYS A 99 17.490 3.481 0.066 1.00 0.00 C ATOM 1406 CG LYS A 99 18.527 4.578 -0.100 1.00 0.00 C ATOM 1407 CD LYS A 99 18.723 4.943 -1.562 1.00 0.00 C ATOM 1408 CE LYS A 99 19.210 6.375 -1.719 1.00 0.00 C ATOM 1409 NZ LYS A 99 20.673 6.494 -1.470 1.00 0.00 N ATOM 0 H LYS A 99 15.822 1.786 0.718 1.00 0.00 H new ATOM 0 HA LYS A 99 17.450 3.444 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.982 2.512 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.772 3.545 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.216 5.461 0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.476 4.250 0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.443 4.261 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.783 4.817 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.983 6.727 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.670 7.020 -1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.966 7.485 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.887 6.182 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.190 5.898 -2.148 1.00 0.00 H new ATOM 1423 N ASN A 100 15.122 5.175 0.609 1.00 0.00 N ATOM 1424 CA ASN A 100 14.380 6.431 0.625 1.00 0.00 C ATOM 1425 C ASN A 100 13.997 6.817 2.051 1.00 0.00 C ATOM 1426 O ASN A 100 13.773 7.991 2.348 1.00 0.00 O ATOM 1427 CB ASN A 100 13.123 6.316 -0.239 1.00 0.00 C ATOM 1428 CG ASN A 100 12.224 7.531 -0.116 1.00 0.00 C ATOM 1429 OD1 ASN A 100 12.593 8.634 -0.520 1.00 0.00 O ATOM 1430 ND2 ASN A 100 11.036 7.333 0.444 1.00 0.00 N ATOM 0 H ASN A 100 14.877 4.550 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 100 15.023 7.210 0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.413 6.186 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.566 5.425 0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.388 8.113 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.772 6.401 0.764 1.00 0.00 H new ATOM 1437 N CYS A 101 13.925 5.822 2.929 1.00 0.00 N ATOM 1438 CA CYS A 101 13.569 6.056 4.323 1.00 0.00 C ATOM 1439 C CYS A 101 14.819 6.180 5.189 1.00 0.00 C ATOM 1440 O CYS A 101 14.838 6.928 6.167 1.00 0.00 O ATOM 1441 CB CYS A 101 12.685 4.922 4.843 1.00 0.00 C ATOM 1442 SG CYS A 101 10.916 5.120 4.455 1.00 0.00 S ATOM 0 H CYS A 101 14.109 4.845 2.699 1.00 0.00 H new ATOM 0 HA CYS A 101 13.015 6.993 4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.035 3.980 4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.803 4.850 5.924 1.00 0.00 H new ATOM 0 HG CYS A 101 10.363 3.949 4.341 1.00 0.00 H new ATOM 1447 N ARG A 102 15.862 5.442 4.823 1.00 0.00 N ATOM 1448 CA ARG A 102 17.116 5.468 5.567 1.00 0.00 C ATOM 1449 C ARG A 102 17.636 6.895 5.706 1.00 0.00 C ATOM 1450 O ARG A 102 18.366 7.212 6.646 1.00 0.00 O ATOM 1451 CB ARG A 102 18.164 4.596 4.873 1.00 0.00 C ATOM 1452 CG ARG A 102 18.964 5.335 3.813 1.00 0.00 C ATOM 1453 CD ARG A 102 20.274 4.625 3.507 1.00 0.00 C ATOM 1454 NE ARG A 102 20.072 3.209 3.210 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.041 2.399 2.801 1.00 0.00 C ATOM 1456 NH1 ARG A 102 22.274 2.861 2.642 1.00 0.00 N ATOM 1457 NH2 ARG A 102 20.779 1.122 2.551 1.00 0.00 N ATOM 0 H ARG A 102 15.864 4.819 4.016 1.00 0.00 H new ATOM 0 HA ARG A 102 16.926 5.071 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.849 4.199 5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.667 3.742 4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.372 5.418 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.170 6.350 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.759 5.108 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.948 4.725 4.358 1.00 0.00 H new ATOM 0 HE ARG A 102 19.135 2.822 3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.480 3.841 2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.016 2.236 2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.832 0.762 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.524 0.501 2.237 1.00 0.00 H new ATOM 1471 N ILE A 103 17.256 7.752 4.764 1.00 0.00 N ATOM 1472 CA ILE A 103 17.684 9.145 4.782 1.00 0.00 C ATOM 1473 C ILE A 103 17.391 9.793 6.131 1.00 0.00 C ATOM 1474 O ILE A 103 16.303 9.632 6.685 1.00 0.00 O ATOM 1475 CB ILE A 103 16.994 9.961 3.672 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.662 9.693 2.322 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.032 11.445 4.004 1.00 0.00 C ATOM 1478 CD1 ILE A 103 17.048 8.538 1.562 1.00 0.00 C ATOM 0 H ILE A 103 16.653 7.506 3.979 1.00 0.00 H new ATOM 0 HA ILE A 103 18.760 9.147 4.607 1.00 0.00 H new ATOM 0 HB ILE A 103 15.951 9.650 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 103 17.601 10.593 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 103 18.720 9.489 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.541 12.008 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 103 16.514 11.620 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.068 11.772 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.572 8.406 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 103 17.133 7.627 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.996 8.748 1.369 1.00 0.00 H new