USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1045 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 146 GLN : amide:sc= -1.57! C(o=-11!,f=-16!) USER MOD Set 1.2: A 147 ASN : amide:sc= -9.77! C(o=-11!,f=-16!) USER MOD Set 2.1: A 127 TYR OH : rot 180:sc= -0.568 USER MOD Set 2.2: A 131 THR OG1 : rot 147:sc= 1.84 USER MOD Set 3.1: A 87 ASN :FLIP amide:sc= -4.03! C(o=-7!,f=-4.7!) USER MOD Set 3.2: A 90 GLN :FLIP amide:sc= -0.702 F(o=-8.7,f=-4.7) USER MOD Set 4.1: A 47 TYR OH : rot 20:sc= -2.05! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -2.52! C(o=-4.6!,f=-11!) USER MOD Set 5.1: A 34 ASN : amide:sc= -2.66! C(o=-3!,f=-11!) USER MOD Set 5.2: A 37 SER OG : rot 56:sc= -0.33 USER MOD Set 6.1: A 17 GLN : amide:sc= 0.2 K(o=-3.6,f=-6.5!) USER MOD Set 6.2: A 30 THR OG1 : rot 179:sc= -3.78! USER MOD Set 7.1: A 16 MET CE :methyl -105:sc= -9.12! (180deg=-6.06!) USER MOD Set 7.2: A 111 SER OG : rot 128:sc= -4.08! USER MOD Set 7.3: A 144 THR OG1 : rot 20:sc= -3.03! USER MOD Single : A 3 HIS :FLIP no HD1:sc= -10.3! C(o=-12!,f=-10!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 2:sc= 0.994 USER MOD Single : A 12 TYR OH : rot -50:sc= 0.693 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= -3.64 (180deg=-5.45!) USER MOD Single : A 21 THR OG1 : rot 41:sc= 1.06 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.35! F(o=-2.3,f=-1.4!) USER MOD Single : A 24 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.326 K(o=-0.33,f=-3.1!) USER MOD Single : A 27 MET CE :methyl 174:sc= -4.08! (180deg=-4.25!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0221 K(o=-0.022,f=-1) USER MOD Single : A 46 THR OG1 : rot -156:sc= -0.606 USER MOD Single : A 50 ASN : amide:sc= -7.26! C(o=-7.3!,f=-16!) USER MOD Single : A 51 SER OG : rot -49:sc= 0.364 USER MOD Single : A 52 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -5.77! C(o=-6.7!,f=-5.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -3.37! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.1!) USER MOD Single : A 83 SER OG : rot -65:sc= -3.24! USER MOD Single : A 84 THR OG1 : rot -145:sc= -6.46! USER MOD Single : A 85 THR OG1 : rot 41:sc= -0.0135 USER MOD Single : A 86 SER OG : rot 180:sc= -0.021 USER MOD Single : A 88 TYR OH : rot 130:sc= 0.778 USER MOD Single : A 92 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -13:sc= 0.218 USER MOD Single : A 98 THR OG1 : rot -5:sc= 0.483! USER MOD Single : A 105 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.6!) USER MOD Single : A 106 THR OG1 : rot 13:sc= 0.196 USER MOD Single : A 110 ASN :FLIP amide:sc= -6.1! C(o=-8.4!,f=-6.1!) USER MOD Single : A 112 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.49) USER MOD Single : A 117 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-6.6!) USER MOD Single : A 122 TYR OH : rot 107:sc= 0.0713 USER MOD Single : A 123 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.7!) USER MOD Single : A 124 ASN : amide:sc=-0.00892 K(o=-0.0089,f=-0.69) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot -152:sc= -3.75! USER MOD Single : A 132 SER OG : rot -132:sc= 0.00297 USER MOD Single : A 138 ASN : amide:sc= -0.284 K(o=-0.28,f=-2!) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 148:sc= 1.39 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 159:sc= -0.022 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 7.942 -3.135 18.431 1.00 0.00 N ATOM 32 CA HIS A 3 6.849 -3.571 17.568 1.00 0.00 C ATOM 33 C HIS A 3 5.531 -2.936 17.999 1.00 0.00 C ATOM 34 O HIS A 3 5.518 -1.946 18.732 1.00 0.00 O ATOM 35 CB HIS A 3 6.726 -5.095 17.594 1.00 0.00 C ATOM 36 CG HIS A 3 6.237 -5.635 18.902 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.027 -5.537 19.504 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.026 -6.377 19.755 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 5.110 -6.214 20.696 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 6.326 -6.713 20.823 1.00 0.00 N flip ATOM 0 HA HIS A 3 7.072 -3.250 16.551 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.045 -5.410 16.803 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.699 -5.533 17.370 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.058 -6.643 19.577 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.310 -6.321 21.414 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.666 -7.264 21.611 1.00 0.00 H new ATOM 49 N CYS A 4 4.424 -3.509 17.538 1.00 0.00 N ATOM 50 CA CYS A 4 3.101 -2.996 17.876 1.00 0.00 C ATOM 51 C CYS A 4 2.061 -4.111 17.861 1.00 0.00 C ATOM 52 O CYS A 4 1.761 -4.680 16.810 1.00 0.00 O ATOM 53 CB CYS A 4 2.692 -1.895 16.897 1.00 0.00 C ATOM 54 SG CYS A 4 3.824 -0.466 16.868 1.00 0.00 S ATOM 0 H CYS A 4 4.417 -4.328 16.930 1.00 0.00 H new ATOM 0 HA CYS A 4 3.150 -2.582 18.883 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.633 -2.319 15.894 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.692 -1.547 17.155 1.00 0.00 H new ATOM 59 N VAL A 5 1.508 -4.413 19.032 1.00 0.00 N ATOM 60 CA VAL A 5 0.495 -5.453 19.153 1.00 0.00 C ATOM 61 C VAL A 5 -0.903 -4.867 18.979 1.00 0.00 C ATOM 62 O VAL A 5 -1.328 -4.015 19.759 1.00 0.00 O ATOM 63 CB VAL A 5 0.583 -6.171 20.516 1.00 0.00 C ATOM 64 CG1 VAL A 5 0.221 -7.644 20.375 1.00 0.00 C ATOM 65 CG2 VAL A 5 1.971 -6.013 21.115 1.00 0.00 C ATOM 0 H VAL A 5 1.745 -3.951 19.910 1.00 0.00 H new ATOM 0 HA VAL A 5 0.683 -6.181 18.364 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.136 -5.709 21.192 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.290 -8.130 21.348 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.797 -7.734 19.996 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.911 -8.123 19.680 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.013 -6.526 22.076 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.710 -6.445 20.440 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.187 -4.954 21.259 1.00 0.00 H new ATOM 75 N THR A 6 -1.611 -5.319 17.947 1.00 0.00 N ATOM 76 CA THR A 6 -2.955 -4.822 17.672 1.00 0.00 C ATOM 77 C THR A 6 -4.027 -5.794 18.158 1.00 0.00 C ATOM 78 O THR A 6 -3.916 -7.005 17.970 1.00 0.00 O ATOM 79 CB THR A 6 -3.156 -4.533 16.167 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.092 -3.462 15.997 1.00 0.00 O ATOM 81 CG2 THR A 6 -3.652 -5.763 15.414 1.00 0.00 C ATOM 0 H THR A 6 -1.278 -6.025 17.291 1.00 0.00 H new ATOM 0 HA THR A 6 -3.060 -3.888 18.224 1.00 0.00 H new ATOM 0 HB THR A 6 -2.187 -4.252 15.754 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.214 -3.283 15.041 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.780 -5.517 14.360 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.924 -6.568 15.513 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.607 -6.084 15.830 1.00 0.00 H new ATOM 89 N ASP A 7 -5.066 -5.247 18.785 1.00 0.00 N ATOM 90 CA ASP A 7 -6.165 -6.056 19.301 1.00 0.00 C ATOM 91 C ASP A 7 -5.641 -7.211 20.147 1.00 0.00 C ATOM 92 O ASP A 7 -6.332 -8.210 20.345 1.00 0.00 O ATOM 93 CB ASP A 7 -7.013 -6.597 18.148 1.00 0.00 C ATOM 94 CG ASP A 7 -7.376 -5.522 17.143 1.00 0.00 C ATOM 95 OD1 ASP A 7 -7.464 -4.341 17.542 1.00 0.00 O ATOM 96 OD2 ASP A 7 -7.572 -5.860 15.956 1.00 0.00 O ATOM 0 H ASP A 7 -5.169 -4.245 18.948 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.785 -5.420 19.932 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.468 -7.394 17.642 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.925 -7.039 18.548 1.00 0.00 H new ATOM 101 N SER A 8 -4.415 -7.071 20.639 1.00 0.00 N ATOM 102 CA SER A 8 -3.801 -8.107 21.459 1.00 0.00 C ATOM 103 C SER A 8 -3.681 -9.406 20.673 1.00 0.00 C ATOM 104 O SER A 8 -3.441 -10.471 21.243 1.00 0.00 O ATOM 105 CB SER A 8 -4.622 -8.337 22.729 1.00 0.00 C ATOM 106 OG SER A 8 -4.207 -9.515 23.399 1.00 0.00 O ATOM 0 H SER A 8 -3.828 -6.251 20.484 1.00 0.00 H new ATOM 0 HA SER A 8 -2.802 -7.775 21.741 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.516 -7.480 23.394 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.679 -8.413 22.474 1.00 0.00 H new ATOM 0 HG SER A 8 -3.457 -9.920 22.915 1.00 0.00 H new ATOM 112 N GLY A 9 -3.851 -9.309 19.359 1.00 0.00 N ATOM 113 CA GLY A 9 -3.760 -10.480 18.509 1.00 0.00 C ATOM 114 C GLY A 9 -2.467 -10.520 17.721 1.00 0.00 C ATOM 115 O GLY A 9 -1.701 -11.479 17.823 1.00 0.00 O ATOM 0 H GLY A 9 -4.051 -8.438 18.867 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.837 -11.378 19.122 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.604 -10.492 17.819 1.00 0.00 H new ATOM 119 N VAL A 10 -2.222 -9.480 16.931 1.00 0.00 N ATOM 120 CA VAL A 10 -1.015 -9.407 16.124 1.00 0.00 C ATOM 121 C VAL A 10 0.050 -8.554 16.809 1.00 0.00 C ATOM 122 O VAL A 10 -0.183 -7.994 17.876 1.00 0.00 O ATOM 123 CB VAL A 10 -1.321 -8.816 14.732 1.00 0.00 C ATOM 124 CG1 VAL A 10 -1.247 -7.298 14.761 1.00 0.00 C ATOM 125 CG2 VAL A 10 -0.372 -9.386 13.688 1.00 0.00 C ATOM 0 H VAL A 10 -2.844 -8.678 16.834 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.638 -10.423 16.008 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.338 -9.097 14.457 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.466 -6.904 13.769 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.975 -6.912 15.474 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.246 -6.988 15.061 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.604 -8.957 12.713 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.655 -9.141 13.958 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.487 -10.469 13.645 1.00 0.00 H new ATOM 135 N VAL A 11 1.212 -8.456 16.174 1.00 0.00 N ATOM 136 CA VAL A 11 2.315 -7.667 16.695 1.00 0.00 C ATOM 137 C VAL A 11 3.292 -7.313 15.578 1.00 0.00 C ATOM 138 O VAL A 11 4.371 -7.895 15.470 1.00 0.00 O ATOM 139 CB VAL A 11 3.046 -8.421 17.820 1.00 0.00 C ATOM 140 CG1 VAL A 11 3.085 -9.910 17.530 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.448 -7.867 18.041 1.00 0.00 C ATOM 0 H VAL A 11 1.413 -8.920 15.288 1.00 0.00 H new ATOM 0 HA VAL A 11 1.905 -6.746 17.109 1.00 0.00 H new ATOM 0 HB VAL A 11 2.487 -8.269 18.743 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.606 -10.424 18.337 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.067 -10.293 17.453 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.610 -10.084 16.591 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.936 -8.422 18.842 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.028 -7.968 17.124 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.384 -6.814 18.316 1.00 0.00 H new ATOM 151 N TYR A 12 2.893 -6.358 14.744 1.00 0.00 N ATOM 152 CA TYR A 12 3.717 -5.920 13.623 1.00 0.00 C ATOM 153 C TYR A 12 4.855 -5.021 14.093 1.00 0.00 C ATOM 154 O TYR A 12 4.627 -4.001 14.743 1.00 0.00 O ATOM 155 CB TYR A 12 2.854 -5.181 12.597 1.00 0.00 C ATOM 156 CG TYR A 12 1.735 -6.028 12.034 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.980 -6.957 11.032 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.434 -5.902 12.509 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.962 -7.737 10.517 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.589 -6.680 12.001 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.320 -7.596 11.006 1.00 0.00 C ATOM 162 OH TYR A 12 -1.336 -8.371 10.496 1.00 0.00 O ATOM 0 H TYR A 12 2.000 -5.871 14.824 1.00 0.00 H new ATOM 0 HA TYR A 12 4.154 -6.803 13.158 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.428 -4.293 13.064 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.488 -4.839 11.779 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.983 -7.072 10.648 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.220 -5.185 13.287 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.169 -8.453 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.594 -6.571 12.381 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.329 -8.317 9.518 1.00 0.00 H new ATOM 172 N SER A 13 6.082 -5.407 13.757 1.00 0.00 N ATOM 173 CA SER A 13 7.258 -4.637 14.142 1.00 0.00 C ATOM 174 C SER A 13 7.221 -3.246 13.521 1.00 0.00 C ATOM 175 O SER A 13 6.601 -3.036 12.479 1.00 0.00 O ATOM 176 CB SER A 13 8.534 -5.364 13.716 1.00 0.00 C ATOM 177 OG SER A 13 8.998 -6.224 14.741 1.00 0.00 O ATOM 0 H SER A 13 6.287 -6.249 13.219 1.00 0.00 H new ATOM 0 HA SER A 13 7.254 -4.533 15.227 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.342 -5.942 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.307 -4.635 13.471 1.00 0.00 H new ATOM 0 HG SER A 13 9.814 -6.678 14.443 1.00 0.00 H new ATOM 183 N VAL A 14 7.886 -2.297 14.171 1.00 0.00 N ATOM 184 CA VAL A 14 7.930 -0.927 13.689 1.00 0.00 C ATOM 185 C VAL A 14 8.254 -0.873 12.203 1.00 0.00 C ATOM 186 O VAL A 14 8.445 -1.907 11.563 1.00 0.00 O ATOM 187 CB VAL A 14 8.968 -0.105 14.468 1.00 0.00 C ATOM 188 CG1 VAL A 14 8.731 -0.241 15.961 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.379 -0.537 14.100 1.00 0.00 C ATOM 0 H VAL A 14 8.403 -2.455 15.036 1.00 0.00 H new ATOM 0 HA VAL A 14 6.941 -0.498 13.848 1.00 0.00 H new ATOM 0 HB VAL A 14 8.857 0.945 14.197 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.473 0.346 16.502 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.733 0.122 16.205 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.817 -1.289 16.249 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.100 0.057 14.662 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.511 -1.592 14.341 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.539 -0.386 13.032 1.00 0.00 H new ATOM 199 N GLY A 15 8.304 0.337 11.655 1.00 0.00 N ATOM 200 CA GLY A 15 8.593 0.496 10.244 1.00 0.00 C ATOM 201 C GLY A 15 7.956 -0.597 9.413 1.00 0.00 C ATOM 202 O GLY A 15 8.505 -1.012 8.393 1.00 0.00 O ATOM 0 H GLY A 15 8.150 1.208 12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.231 1.467 9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.672 0.487 10.091 1.00 0.00 H new ATOM 206 N MET A 16 6.795 -1.072 9.859 1.00 0.00 N ATOM 207 CA MET A 16 6.086 -2.134 9.151 1.00 0.00 C ATOM 208 C MET A 16 4.601 -1.814 9.017 1.00 0.00 C ATOM 209 O MET A 16 3.916 -1.569 10.010 1.00 0.00 O ATOM 210 CB MET A 16 6.267 -3.467 9.879 1.00 0.00 C ATOM 211 CG MET A 16 6.032 -4.680 8.995 1.00 0.00 C ATOM 212 SD MET A 16 5.413 -6.102 9.914 1.00 0.00 S ATOM 213 CE MET A 16 6.629 -7.343 9.480 1.00 0.00 C ATOM 0 H MET A 16 6.328 -0.740 10.703 1.00 0.00 H new ATOM 0 HA MET A 16 6.510 -2.209 8.150 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.277 -3.515 10.286 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.580 -3.506 10.725 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.320 -4.421 8.212 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.965 -4.950 8.501 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.198 -8.039 8.760 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.501 -6.860 9.040 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.929 -7.887 10.376 1.00 0.00 H new ATOM 223 N GLN A 17 4.110 -1.822 7.782 1.00 0.00 N ATOM 224 CA GLN A 17 2.706 -1.535 7.513 1.00 0.00 C ATOM 225 C GLN A 17 1.881 -2.818 7.501 1.00 0.00 C ATOM 226 O GLN A 17 2.428 -3.920 7.524 1.00 0.00 O ATOM 227 CB GLN A 17 2.559 -0.811 6.172 1.00 0.00 C ATOM 228 CG GLN A 17 3.849 -0.181 5.675 1.00 0.00 C ATOM 229 CD GLN A 17 3.630 1.189 5.062 1.00 0.00 C ATOM 230 OE1 GLN A 17 2.624 1.846 5.328 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.574 1.626 4.237 1.00 0.00 N ATOM 0 H GLN A 17 4.665 -2.025 6.950 1.00 0.00 H new ATOM 0 HA GLN A 17 2.334 -0.891 8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.199 -1.518 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.800 -0.035 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.551 -0.096 6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.308 -0.837 4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.392 1.047 4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.482 2.541 3.795 1.00 0.00 H new ATOM 240 N TRP A 18 0.561 -2.666 7.462 1.00 0.00 N ATOM 241 CA TRP A 18 -0.340 -3.812 7.444 1.00 0.00 C ATOM 242 C TRP A 18 -1.797 -3.358 7.461 1.00 0.00 C ATOM 243 O TRP A 18 -2.216 -2.614 8.348 1.00 0.00 O ATOM 244 CB TRP A 18 -0.061 -4.728 8.638 1.00 0.00 C ATOM 245 CG TRP A 18 -0.769 -4.314 9.892 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.072 -4.561 10.217 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.213 -3.580 10.988 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.359 -4.027 11.449 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.235 -3.419 11.943 1.00 0.00 C ATOM 250 CE3 TRP A 18 1.050 -3.042 11.257 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -1.033 -2.745 13.145 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.249 -2.375 12.450 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.213 -2.231 13.381 1.00 0.00 C ATOM 0 H TRP A 18 0.092 -1.760 7.442 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.163 -4.368 6.523 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.358 -5.745 8.382 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.012 -4.748 8.827 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.774 -5.098 9.596 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.262 -4.075 11.920 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.855 -3.146 10.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.831 -2.632 13.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.221 -1.957 12.669 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.401 -1.703 14.304 1.00 0.00 H new ATOM 264 N LEU A 19 -2.562 -3.812 6.474 1.00 0.00 N ATOM 265 CA LEU A 19 -3.972 -3.454 6.373 1.00 0.00 C ATOM 266 C LEU A 19 -4.755 -3.971 7.575 1.00 0.00 C ATOM 267 O LEU A 19 -4.355 -4.942 8.218 1.00 0.00 O ATOM 268 CB LEU A 19 -4.570 -4.014 5.081 1.00 0.00 C ATOM 269 CG LEU A 19 -5.535 -3.075 4.354 1.00 0.00 C ATOM 270 CD1 LEU A 19 -4.885 -1.719 4.124 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.982 -3.686 3.036 1.00 0.00 C ATOM 0 H LEU A 19 -2.229 -4.429 5.733 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.044 -2.366 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.756 -4.270 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.095 -4.941 5.313 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.416 -2.932 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.585 -1.063 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.616 -1.277 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.988 -1.844 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.668 -3.004 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.113 -3.859 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.487 -4.633 3.227 1.00 0.00 H new ATOM 283 N LYS A 20 -5.872 -3.316 7.873 1.00 0.00 N ATOM 284 CA LYS A 20 -6.713 -3.709 8.998 1.00 0.00 C ATOM 285 C LYS A 20 -8.087 -3.055 8.901 1.00 0.00 C ATOM 286 O LYS A 20 -8.422 -2.439 7.891 1.00 0.00 O ATOM 287 CB LYS A 20 -6.044 -3.328 10.319 1.00 0.00 C ATOM 288 CG LYS A 20 -5.095 -2.147 10.203 1.00 0.00 C ATOM 289 CD LYS A 20 -5.850 -0.839 10.033 1.00 0.00 C ATOM 290 CE LYS A 20 -6.360 -0.314 11.366 1.00 0.00 C ATOM 291 NZ LYS A 20 -7.573 -1.045 11.823 1.00 0.00 N ATOM 0 H LYS A 20 -6.216 -2.510 7.351 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.842 -4.791 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.815 -3.093 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.494 -4.189 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.469 -2.094 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.429 -2.297 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.196 -0.097 9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.689 -0.988 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.576 -0.407 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.589 0.748 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.126 -0.436 12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.154 -1.302 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.288 -1.908 12.329 1.00 0.00 H new ATOM 305 N THR A 21 -8.878 -3.192 9.961 1.00 0.00 N ATOM 306 CA THR A 21 -10.215 -2.613 9.994 1.00 0.00 C ATOM 307 C THR A 21 -10.444 -1.831 11.283 1.00 0.00 C ATOM 308 O THR A 21 -10.465 -2.402 12.373 1.00 0.00 O ATOM 309 CB THR A 21 -11.302 -3.698 9.866 1.00 0.00 C ATOM 310 OG1 THR A 21 -12.545 -3.103 9.476 1.00 0.00 O ATOM 311 CG2 THR A 21 -11.481 -4.443 11.179 1.00 0.00 C ATOM 0 H THR A 21 -8.616 -3.698 10.807 1.00 0.00 H new ATOM 0 HA THR A 21 -10.286 -1.936 9.143 1.00 0.00 H new ATOM 0 HB THR A 21 -10.985 -4.410 9.104 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.379 -2.412 8.801 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.253 -5.203 11.063 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.541 -4.920 11.458 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.777 -3.741 11.958 1.00 0.00 H new ATOM 319 N GLN A 22 -10.616 -0.519 11.151 1.00 0.00 N ATOM 320 CA GLN A 22 -10.845 0.342 12.305 1.00 0.00 C ATOM 321 C GLN A 22 -12.334 0.604 12.501 1.00 0.00 C ATOM 322 O GLN A 22 -12.755 1.746 12.679 1.00 0.00 O ATOM 323 CB GLN A 22 -10.100 1.666 12.134 1.00 0.00 C ATOM 324 CG GLN A 22 -10.404 2.681 13.224 1.00 0.00 C ATOM 325 CD GLN A 22 -10.717 2.027 14.557 1.00 0.00 C ATOM 326 OE1 GLN A 22 -9.680 1.585 15.258 1.00 0.00 O flip ATOM 327 NE2 GLN A 22 -11.879 1.923 14.952 1.00 0.00 N flip ATOM 0 H GLN A 22 -10.601 -0.030 10.256 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.465 -0.169 13.190 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.028 1.471 12.120 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.358 2.096 11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.551 3.349 13.342 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.250 3.296 12.917 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.646 2.277 14.380 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.075 1.483 15.851 1.00 0.00 H new ATOM 336 N GLY A 23 -13.126 -0.463 12.463 1.00 0.00 N ATOM 337 CA GLY A 23 -14.560 -0.327 12.637 1.00 0.00 C ATOM 338 C GLY A 23 -15.345 -1.148 11.633 1.00 0.00 C ATOM 339 O GLY A 23 -15.784 -2.257 11.936 1.00 0.00 O ATOM 0 H GLY A 23 -12.800 -1.418 12.315 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.832 -0.636 13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.837 0.723 12.540 1.00 0.00 H new ATOM 343 N ASN A 24 -15.521 -0.600 10.436 1.00 0.00 N ATOM 344 CA ASN A 24 -16.258 -1.286 9.382 1.00 0.00 C ATOM 345 C ASN A 24 -15.733 -0.893 8.006 1.00 0.00 C ATOM 346 O ASN A 24 -16.454 -0.963 7.011 1.00 0.00 O ATOM 347 CB ASN A 24 -17.751 -0.964 9.482 1.00 0.00 C ATOM 348 CG ASN A 24 -18.623 -2.111 9.009 1.00 0.00 C ATOM 349 OD1 ASN A 24 -18.123 -3.148 8.575 1.00 0.00 O ATOM 350 ND2 ASN A 24 -19.936 -1.928 9.091 1.00 0.00 N ATOM 0 H ASN A 24 -15.163 0.318 10.171 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.115 -2.359 9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.000 -0.725 10.516 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.969 -0.077 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -20.573 -2.664 8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.307 -1.051 9.458 1.00 0.00 H new ATOM 357 N LYS A 25 -14.469 -0.480 7.956 1.00 0.00 N ATOM 358 CA LYS A 25 -13.847 -0.076 6.702 1.00 0.00 C ATOM 359 C LYS A 25 -12.385 -0.511 6.655 1.00 0.00 C ATOM 360 O LYS A 25 -11.884 -1.139 7.587 1.00 0.00 O ATOM 361 CB LYS A 25 -13.945 1.441 6.525 1.00 0.00 C ATOM 362 CG LYS A 25 -15.352 1.984 6.707 1.00 0.00 C ATOM 363 CD LYS A 25 -15.432 2.942 7.885 1.00 0.00 C ATOM 364 CE LYS A 25 -16.846 3.465 8.083 1.00 0.00 C ATOM 365 NZ LYS A 25 -16.957 4.321 9.296 1.00 0.00 N ATOM 0 H LYS A 25 -13.857 -0.417 8.770 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.380 -0.565 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.282 1.926 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.588 1.706 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.666 2.497 5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.045 1.157 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.100 2.435 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.753 3.779 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.147 4.038 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.535 2.625 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.936 4.657 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.694 3.768 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.318 5.137 9.205 1.00 0.00 H new ATOM 379 N GLN A 26 -11.707 -0.173 5.563 1.00 0.00 N ATOM 380 CA GLN A 26 -10.303 -0.529 5.394 1.00 0.00 C ATOM 381 C GLN A 26 -9.395 0.610 5.846 1.00 0.00 C ATOM 382 O GLN A 26 -9.691 1.782 5.612 1.00 0.00 O ATOM 383 CB GLN A 26 -10.015 -0.878 3.933 1.00 0.00 C ATOM 384 CG GLN A 26 -11.067 -1.777 3.304 1.00 0.00 C ATOM 385 CD GLN A 26 -11.868 -1.072 2.226 1.00 0.00 C ATOM 386 OE1 GLN A 26 -11.542 0.045 1.825 1.00 0.00 O ATOM 387 NE2 GLN A 26 -12.924 -1.724 1.752 1.00 0.00 N ATOM 0 H GLN A 26 -12.107 0.347 4.782 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.098 -1.401 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.944 0.043 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.044 -1.370 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.581 -2.654 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.744 -2.135 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.157 -2.649 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.502 -1.300 1.026 1.00 0.00 H new ATOM 396 N MET A 27 -8.289 0.257 6.492 1.00 0.00 N ATOM 397 CA MET A 27 -7.337 1.250 6.976 1.00 0.00 C ATOM 398 C MET A 27 -5.921 0.684 6.992 1.00 0.00 C ATOM 399 O MET A 27 -5.685 -0.411 7.500 1.00 0.00 O ATOM 400 CB MET A 27 -7.727 1.718 8.381 1.00 0.00 C ATOM 401 CG MET A 27 -7.962 3.217 8.479 1.00 0.00 C ATOM 402 SD MET A 27 -6.427 4.151 8.631 1.00 0.00 S ATOM 403 CE MET A 27 -7.062 5.795 8.951 1.00 0.00 C ATOM 0 H MET A 27 -8.030 -0.709 6.693 1.00 0.00 H new ATOM 0 HA MET A 27 -7.361 2.102 6.296 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.632 1.196 8.691 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.940 1.435 9.081 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.503 3.555 7.595 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.597 3.426 9.340 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.234 6.468 9.174 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.596 6.156 8.072 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.743 5.763 9.802 1.00 0.00 H new ATOM 413 N LEU A 28 -4.982 1.440 6.432 1.00 0.00 N ATOM 414 CA LEU A 28 -3.587 1.014 6.383 1.00 0.00 C ATOM 415 C LEU A 28 -2.861 1.383 7.673 1.00 0.00 C ATOM 416 O LEU A 28 -2.667 2.561 7.971 1.00 0.00 O ATOM 417 CB LEU A 28 -2.880 1.650 5.185 1.00 0.00 C ATOM 418 CG LEU A 28 -1.607 0.933 4.730 1.00 0.00 C ATOM 419 CD1 LEU A 28 -1.954 -0.271 3.867 1.00 0.00 C ATOM 420 CD2 LEU A 28 -0.699 1.890 3.974 1.00 0.00 C ATOM 0 H LEU A 28 -5.161 2.349 6.006 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.567 -0.070 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.577 1.686 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.629 2.681 5.436 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.074 0.580 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.037 -0.769 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.566 -0.966 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.508 0.059 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.202 1.364 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.222 2.272 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.424 2.721 4.624 1.00 0.00 H new ATOM 432 N CYS A 29 -2.463 0.369 8.433 1.00 0.00 N ATOM 433 CA CYS A 29 -1.759 0.588 9.691 1.00 0.00 C ATOM 434 C CYS A 29 -0.290 0.194 9.571 1.00 0.00 C ATOM 435 O CYS A 29 0.064 -0.685 8.787 1.00 0.00 O ATOM 436 CB CYS A 29 -2.422 -0.209 10.816 1.00 0.00 C ATOM 437 SG CYS A 29 -3.394 0.807 11.976 1.00 0.00 S ATOM 0 H CYS A 29 -2.616 -0.612 8.200 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.812 1.651 9.927 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.074 -0.964 10.376 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.651 -0.740 11.374 1.00 0.00 H new ATOM 442 N THR A 30 0.559 0.851 10.354 1.00 0.00 N ATOM 443 CA THR A 30 1.989 0.571 10.337 1.00 0.00 C ATOM 444 C THR A 30 2.628 0.886 11.684 1.00 0.00 C ATOM 445 O THR A 30 2.392 1.948 12.260 1.00 0.00 O ATOM 446 CB THR A 30 2.711 1.386 9.248 1.00 0.00 C ATOM 447 OG1 THR A 30 2.089 1.171 7.977 1.00 0.00 O ATOM 448 CG2 THR A 30 4.181 1.007 9.171 1.00 0.00 C ATOM 0 H THR A 30 0.281 1.582 11.009 1.00 0.00 H new ATOM 0 HA THR A 30 2.096 -0.492 10.121 1.00 0.00 H new ATOM 0 HB THR A 30 2.639 2.441 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.542 1.710 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.669 1.596 8.395 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.659 1.205 10.131 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.272 -0.053 8.933 1.00 0.00 H new ATOM 456 N CYS A 31 3.443 -0.039 12.176 1.00 0.00 N ATOM 457 CA CYS A 31 4.122 0.151 13.451 1.00 0.00 C ATOM 458 C CYS A 31 5.321 1.075 13.279 1.00 0.00 C ATOM 459 O CYS A 31 6.064 0.963 12.304 1.00 0.00 O ATOM 460 CB CYS A 31 4.579 -1.193 14.021 1.00 0.00 C ATOM 461 SG CYS A 31 5.343 -1.081 15.671 1.00 0.00 S ATOM 0 H CYS A 31 3.649 -0.924 11.714 1.00 0.00 H new ATOM 0 HA CYS A 31 3.420 0.607 14.149 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.721 -1.863 14.075 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.293 -1.644 13.332 1.00 0.00 H new ATOM 466 N LEU A 32 5.501 1.989 14.228 1.00 0.00 N ATOM 467 CA LEU A 32 6.611 2.933 14.176 1.00 0.00 C ATOM 468 C LEU A 32 7.051 3.332 15.580 1.00 0.00 C ATOM 469 O LEU A 32 6.477 2.884 16.573 1.00 0.00 O ATOM 470 CB LEU A 32 6.212 4.177 13.380 1.00 0.00 C ATOM 471 CG LEU A 32 5.921 3.932 11.898 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.866 4.905 11.394 1.00 0.00 C ATOM 473 CD2 LEU A 32 7.197 4.052 11.078 1.00 0.00 C ATOM 0 H LEU A 32 4.893 2.095 15.040 1.00 0.00 H new ATOM 0 HA LEU A 32 7.449 2.445 13.678 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.327 4.616 13.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.012 4.913 13.461 1.00 0.00 H new ATOM 0 HG LEU A 32 5.535 2.919 11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.672 4.716 10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.946 4.770 11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.224 5.927 11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.972 3.875 10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.613 5.053 11.196 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.922 3.315 11.423 1.00 0.00 H new ATOM 485 N GLY A 33 8.074 4.177 15.657 1.00 0.00 N ATOM 486 CA GLY A 33 8.574 4.622 16.944 1.00 0.00 C ATOM 487 C GLY A 33 7.571 5.479 17.691 1.00 0.00 C ATOM 488 O GLY A 33 7.711 5.706 18.892 1.00 0.00 O ATOM 0 H GLY A 33 8.566 4.562 14.850 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.829 3.753 17.551 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.493 5.189 16.797 1.00 0.00 H new ATOM 492 N ASN A 34 6.557 5.956 16.977 1.00 0.00 N ATOM 493 CA ASN A 34 5.526 6.793 17.579 1.00 0.00 C ATOM 494 C ASN A 34 4.288 5.971 17.922 1.00 0.00 C ATOM 495 O ASN A 34 3.592 6.255 18.897 1.00 0.00 O ATOM 496 CB ASN A 34 5.148 7.934 16.631 1.00 0.00 C ATOM 497 CG ASN A 34 4.721 7.434 15.266 1.00 0.00 C ATOM 498 OD1 ASN A 34 4.000 6.441 15.153 1.00 0.00 O ATOM 499 ND2 ASN A 34 5.165 8.119 14.219 1.00 0.00 N ATOM 0 H ASN A 34 6.427 5.777 15.981 1.00 0.00 H new ATOM 0 HA ASN A 34 5.928 7.213 18.501 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.338 8.515 17.072 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.999 8.606 16.519 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.911 7.829 13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.760 8.936 14.359 1.00 0.00 H new ATOM 506 N GLY A 35 4.021 4.950 17.115 1.00 0.00 N ATOM 507 CA GLY A 35 2.867 4.102 17.349 1.00 0.00 C ATOM 508 C GLY A 35 2.168 3.704 16.064 1.00 0.00 C ATOM 509 O GLY A 35 2.292 4.384 15.046 1.00 0.00 O ATOM 0 H GLY A 35 4.583 4.695 16.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.182 3.204 17.880 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.162 4.624 17.996 1.00 0.00 H new ATOM 513 N VAL A 36 1.430 2.600 16.111 1.00 0.00 N ATOM 514 CA VAL A 36 0.708 2.112 14.943 1.00 0.00 C ATOM 515 C VAL A 36 0.166 3.269 14.109 1.00 0.00 C ATOM 516 O VAL A 36 -0.940 3.755 14.347 1.00 0.00 O ATOM 517 CB VAL A 36 -0.463 1.196 15.347 1.00 0.00 C ATOM 518 CG1 VAL A 36 -1.353 0.904 14.149 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.056 -0.095 15.963 1.00 0.00 C ATOM 0 H VAL A 36 1.316 2.026 16.947 1.00 0.00 H new ATOM 0 HA VAL A 36 1.420 1.539 14.349 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.062 1.714 16.096 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.174 0.256 14.455 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.755 1.839 13.758 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.769 0.408 13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.786 -0.729 16.242 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.680 -0.618 15.239 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.646 0.136 16.850 1.00 0.00 H new ATOM 529 N SER A 37 0.951 3.705 13.130 1.00 0.00 N ATOM 530 CA SER A 37 0.550 4.804 12.260 1.00 0.00 C ATOM 531 C SER A 37 -0.440 4.325 11.203 1.00 0.00 C ATOM 532 O SER A 37 -0.054 3.702 10.214 1.00 0.00 O ATOM 533 CB SER A 37 1.775 5.423 11.586 1.00 0.00 C ATOM 534 OG SER A 37 2.404 6.366 12.435 1.00 0.00 O ATOM 0 H SER A 37 1.869 3.314 12.919 1.00 0.00 H new ATOM 0 HA SER A 37 0.062 5.561 12.873 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.484 4.638 11.322 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.476 5.908 10.657 1.00 0.00 H new ATOM 0 HG SER A 37 2.636 5.937 13.285 1.00 0.00 H new ATOM 540 N CYS A 38 -1.718 4.621 11.418 1.00 0.00 N ATOM 541 CA CYS A 38 -2.763 4.219 10.484 1.00 0.00 C ATOM 542 C CYS A 38 -3.172 5.383 9.589 1.00 0.00 C ATOM 543 O CYS A 38 -3.137 6.542 10.005 1.00 0.00 O ATOM 544 CB CYS A 38 -3.982 3.692 11.244 1.00 0.00 C ATOM 545 SG CYS A 38 -4.491 2.011 10.763 1.00 0.00 S ATOM 0 H CYS A 38 -2.054 5.138 12.231 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.364 3.424 9.854 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.763 3.702 12.312 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.818 4.373 11.084 1.00 0.00 H new ATOM 550 N GLN A 39 -3.560 5.068 8.357 1.00 0.00 N ATOM 551 CA GLN A 39 -3.976 6.088 7.401 1.00 0.00 C ATOM 552 C GLN A 39 -4.986 5.521 6.408 1.00 0.00 C ATOM 553 O GLN A 39 -4.717 4.527 5.733 1.00 0.00 O ATOM 554 CB GLN A 39 -2.762 6.642 6.654 1.00 0.00 C ATOM 555 CG GLN A 39 -3.080 7.852 5.791 1.00 0.00 C ATOM 556 CD GLN A 39 -2.018 8.115 4.742 1.00 0.00 C ATOM 557 OE1 GLN A 39 -2.155 7.711 3.587 1.00 0.00 O ATOM 558 NE2 GLN A 39 -0.950 8.797 5.139 1.00 0.00 N ATOM 0 H GLN A 39 -3.595 4.114 7.997 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.452 6.898 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.993 6.914 7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.344 5.857 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.041 7.701 5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.182 8.731 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.877 9.113 6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.203 9.005 4.477 1.00 0.00 H new ATOM 567 N GLU A 40 -6.148 6.160 6.323 1.00 0.00 N ATOM 568 CA GLU A 40 -7.198 5.719 5.413 1.00 0.00 C ATOM 569 C GLU A 40 -6.692 5.690 3.974 1.00 0.00 C ATOM 570 O GLU A 40 -5.514 5.938 3.714 1.00 0.00 O ATOM 571 CB GLU A 40 -8.414 6.641 5.518 1.00 0.00 C ATOM 572 CG GLU A 40 -9.587 6.018 6.259 1.00 0.00 C ATOM 573 CD GLU A 40 -10.927 6.451 5.700 1.00 0.00 C ATOM 574 OE1 GLU A 40 -10.939 7.262 4.749 1.00 0.00 O ATOM 575 OE2 GLU A 40 -11.964 5.980 6.211 1.00 0.00 O ATOM 0 H GLU A 40 -6.386 6.985 6.873 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.491 4.709 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.120 7.560 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.736 6.920 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.510 4.932 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.532 6.291 7.313 1.00 0.00 H new ATOM 636 N GLN A 45 -8.790 8.435 -7.627 1.00 0.00 N ATOM 637 CA GLN A 45 -9.363 9.487 -8.457 1.00 0.00 C ATOM 638 C GLN A 45 -9.247 9.139 -9.938 1.00 0.00 C ATOM 639 O GLN A 45 -8.204 8.674 -10.397 1.00 0.00 O ATOM 640 CB GLN A 45 -8.665 10.820 -8.180 1.00 0.00 C ATOM 641 CG GLN A 45 -9.527 12.033 -8.486 1.00 0.00 C ATOM 642 CD GLN A 45 -10.319 12.505 -7.282 1.00 0.00 C ATOM 643 OE1 GLN A 45 -10.433 11.795 -6.283 1.00 0.00 O ATOM 644 NE2 GLN A 45 -10.873 13.709 -7.372 1.00 0.00 N ATOM 0 HA GLN A 45 -10.420 9.577 -8.206 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.365 10.853 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.753 10.873 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.892 12.845 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.215 11.790 -9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.753 14.264 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.419 14.079 -6.594 1.00 0.00 H new ATOM 653 N THR A 46 -10.326 9.366 -10.680 1.00 0.00 N ATOM 654 CA THR A 46 -10.347 9.078 -12.108 1.00 0.00 C ATOM 655 C THR A 46 -10.053 10.330 -12.926 1.00 0.00 C ATOM 656 O THR A 46 -10.059 11.443 -12.399 1.00 0.00 O ATOM 657 CB THR A 46 -11.708 8.503 -12.545 1.00 0.00 C ATOM 658 OG1 THR A 46 -12.762 9.393 -12.160 1.00 0.00 O ATOM 659 CG2 THR A 46 -11.941 7.134 -11.922 1.00 0.00 C ATOM 0 H THR A 46 -11.198 9.749 -10.315 1.00 0.00 H new ATOM 0 HA THR A 46 -9.570 8.336 -12.292 1.00 0.00 H new ATOM 0 HB THR A 46 -11.702 8.396 -13.630 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.602 8.893 -12.086 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.908 6.747 -12.244 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.153 6.451 -12.239 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.929 7.222 -10.836 1.00 0.00 H new ATOM 667 N TYR A 47 -9.794 10.142 -14.215 1.00 0.00 N ATOM 668 CA TYR A 47 -9.496 11.259 -15.106 1.00 0.00 C ATOM 669 C TYR A 47 -9.237 10.769 -16.526 1.00 0.00 C ATOM 670 O TYR A 47 -8.709 9.676 -16.731 1.00 0.00 O ATOM 671 CB TYR A 47 -8.283 12.036 -14.593 1.00 0.00 C ATOM 672 CG TYR A 47 -6.973 11.300 -14.765 1.00 0.00 C ATOM 673 CD1 TYR A 47 -6.458 11.047 -16.031 1.00 0.00 C ATOM 674 CD2 TYR A 47 -6.251 10.858 -13.664 1.00 0.00 C ATOM 675 CE1 TYR A 47 -5.262 10.374 -16.193 1.00 0.00 C ATOM 676 CE2 TYR A 47 -5.054 10.186 -13.817 1.00 0.00 C ATOM 677 CZ TYR A 47 -4.564 9.946 -15.083 1.00 0.00 C ATOM 678 OH TYR A 47 -3.372 9.276 -15.241 1.00 0.00 O ATOM 0 H TYR A 47 -9.784 9.228 -14.667 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.363 11.920 -15.122 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.225 12.990 -15.117 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.427 12.261 -13.536 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.001 11.382 -16.902 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.632 11.043 -12.671 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.876 10.184 -17.184 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.505 9.850 -12.950 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.011 9.457 -16.134 1.00 0.00 H new ATOM 688 N GLY A 48 -9.613 11.585 -17.506 1.00 0.00 N ATOM 689 CA GLY A 48 -9.412 11.217 -18.895 1.00 0.00 C ATOM 690 C GLY A 48 -10.168 9.960 -19.278 1.00 0.00 C ATOM 691 O GLY A 48 -10.914 9.405 -18.471 1.00 0.00 O ATOM 0 H GLY A 48 -10.053 12.494 -17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.732 12.039 -19.535 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.348 11.067 -19.077 1.00 0.00 H new ATOM 695 N GLY A 49 -9.975 9.510 -20.514 1.00 0.00 N ATOM 696 CA GLY A 49 -10.651 8.314 -20.982 1.00 0.00 C ATOM 697 C GLY A 49 -11.896 8.627 -21.786 1.00 0.00 C ATOM 698 O GLY A 49 -12.115 9.771 -22.183 1.00 0.00 O ATOM 0 H GLY A 49 -9.363 9.952 -21.200 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.965 7.729 -21.594 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.921 7.695 -20.126 1.00 0.00 H new ATOM 702 N ASN A 50 -12.714 7.607 -22.028 1.00 0.00 N ATOM 703 CA ASN A 50 -13.944 7.779 -22.791 1.00 0.00 C ATOM 704 C ASN A 50 -15.108 8.142 -21.873 1.00 0.00 C ATOM 705 O ASN A 50 -16.269 7.908 -22.204 1.00 0.00 O ATOM 706 CB ASN A 50 -14.272 6.502 -23.567 1.00 0.00 C ATOM 707 CG ASN A 50 -14.680 5.360 -22.657 1.00 0.00 C ATOM 708 OD1 ASN A 50 -15.860 5.190 -22.347 1.00 0.00 O ATOM 709 ND2 ASN A 50 -13.704 4.572 -22.222 1.00 0.00 N ATOM 0 H ASN A 50 -12.547 6.654 -21.707 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.792 8.596 -23.497 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.077 6.706 -24.273 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.403 6.203 -24.153 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.918 3.788 -21.605 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.740 4.750 -22.505 1.00 0.00 H new ATOM 716 N SER A 51 -14.787 8.719 -20.719 1.00 0.00 N ATOM 717 CA SER A 51 -15.804 9.117 -19.755 1.00 0.00 C ATOM 718 C SER A 51 -15.407 10.412 -19.055 1.00 0.00 C ATOM 719 O SER A 51 -15.991 10.782 -18.037 1.00 0.00 O ATOM 720 CB SER A 51 -16.020 8.009 -18.721 1.00 0.00 C ATOM 721 OG SER A 51 -17.199 8.234 -17.969 1.00 0.00 O ATOM 0 H SER A 51 -13.830 8.921 -20.430 1.00 0.00 H new ATOM 0 HA SER A 51 -16.736 9.285 -20.294 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.085 7.045 -19.225 1.00 0.00 H new ATOM 0 HB3 SER A 51 -15.162 7.961 -18.051 1.00 0.00 H new ATOM 0 HG SER A 51 -17.204 9.156 -17.636 1.00 0.00 H new ATOM 727 N ASN A 52 -14.407 11.093 -19.609 1.00 0.00 N ATOM 728 CA ASN A 52 -13.922 12.349 -19.047 1.00 0.00 C ATOM 729 C ASN A 52 -13.131 12.106 -17.766 1.00 0.00 C ATOM 730 O ASN A 52 -11.982 12.532 -17.643 1.00 0.00 O ATOM 731 CB ASN A 52 -15.091 13.296 -18.769 1.00 0.00 C ATOM 732 CG ASN A 52 -14.633 14.638 -18.232 1.00 0.00 C ATOM 733 OD1 ASN A 52 -14.190 14.744 -17.090 1.00 0.00 O ATOM 734 ND2 ASN A 52 -14.740 15.672 -19.058 1.00 0.00 N ATOM 0 H ASN A 52 -13.915 10.793 -20.451 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.258 12.810 -19.778 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.657 13.449 -19.688 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.768 12.832 -18.051 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.449 16.601 -18.753 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.114 15.538 -19.998 1.00 0.00 H new ATOM 741 N GLY A 53 -13.751 11.419 -16.814 1.00 0.00 N ATOM 742 CA GLY A 53 -13.091 11.132 -15.554 1.00 0.00 C ATOM 743 C GLY A 53 -14.074 10.890 -14.426 1.00 0.00 C ATOM 744 O GLY A 53 -13.837 11.299 -13.289 1.00 0.00 O ATOM 0 H GLY A 53 -14.701 11.055 -16.892 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.455 10.255 -15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.439 11.965 -15.291 1.00 0.00 H new ATOM 748 N GLU A 54 -15.180 10.224 -14.741 1.00 0.00 N ATOM 749 CA GLU A 54 -16.203 9.928 -13.745 1.00 0.00 C ATOM 750 C GLU A 54 -15.777 8.763 -12.857 1.00 0.00 C ATOM 751 O GLU A 54 -14.653 8.271 -12.955 1.00 0.00 O ATOM 752 CB GLU A 54 -17.533 9.608 -14.430 1.00 0.00 C ATOM 753 CG GLU A 54 -18.635 10.609 -14.120 1.00 0.00 C ATOM 754 CD GLU A 54 -19.466 10.955 -15.339 1.00 0.00 C ATOM 755 OE1 GLU A 54 -19.581 10.101 -16.242 1.00 0.00 O ATOM 756 OE2 GLU A 54 -20.004 12.082 -15.390 1.00 0.00 O ATOM 0 H GLU A 54 -15.391 9.879 -15.678 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.331 10.809 -13.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -17.378 9.574 -15.508 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.860 8.614 -14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -19.285 10.201 -13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -18.191 11.519 -13.717 1.00 0.00 H new ATOM 763 N PRO A 55 -16.677 8.311 -11.973 1.00 0.00 N ATOM 764 CA PRO A 55 -16.410 7.203 -11.052 1.00 0.00 C ATOM 765 C PRO A 55 -16.363 5.859 -11.770 1.00 0.00 C ATOM 766 O PRO A 55 -16.842 5.729 -12.896 1.00 0.00 O ATOM 767 CB PRO A 55 -17.594 7.246 -10.071 1.00 0.00 C ATOM 768 CG PRO A 55 -18.305 8.532 -10.354 1.00 0.00 C ATOM 769 CD PRO A 55 -18.028 8.845 -11.794 1.00 0.00 C ATOM 0 HA PRO A 55 -15.440 7.306 -10.566 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -18.255 6.392 -10.217 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.249 7.208 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -19.376 8.434 -10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -17.944 9.329 -9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -18.746 8.367 -12.460 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -18.072 9.916 -11.994 1.00 0.00 H new ATOM 777 N CYS A 56 -15.780 4.862 -11.113 1.00 0.00 N ATOM 778 CA CYS A 56 -15.670 3.529 -11.694 1.00 0.00 C ATOM 779 C CYS A 56 -16.870 2.669 -11.322 1.00 0.00 C ATOM 780 O CYS A 56 -17.737 3.086 -10.554 1.00 0.00 O ATOM 781 CB CYS A 56 -14.380 2.848 -11.231 1.00 0.00 C ATOM 782 SG CYS A 56 -13.716 1.632 -12.414 1.00 0.00 S ATOM 0 H CYS A 56 -15.377 4.951 -10.180 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.646 3.639 -12.778 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.624 3.612 -11.048 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.566 2.350 -10.280 1.00 0.00 H new ATOM 787 N VAL A 57 -16.911 1.464 -11.877 1.00 0.00 N ATOM 788 CA VAL A 57 -18.000 0.534 -11.614 1.00 0.00 C ATOM 789 C VAL A 57 -17.482 -0.897 -11.553 1.00 0.00 C ATOM 790 O VAL A 57 -17.919 -1.762 -12.311 1.00 0.00 O ATOM 791 CB VAL A 57 -19.090 0.637 -12.696 1.00 0.00 C ATOM 792 CG1 VAL A 57 -20.433 0.176 -12.149 1.00 0.00 C ATOM 793 CG2 VAL A 57 -19.178 2.062 -13.226 1.00 0.00 C ATOM 0 H VAL A 57 -16.199 1.108 -12.515 1.00 0.00 H new ATOM 0 HA VAL A 57 -18.434 0.801 -10.650 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.821 -0.019 -13.524 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.190 0.256 -12.929 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -20.356 -0.861 -11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -20.716 0.802 -11.303 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -19.953 2.119 -13.990 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -19.424 2.740 -12.409 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -18.220 2.349 -13.659 1.00 0.00 H new ATOM 803 N LEU A 58 -16.538 -1.133 -10.648 1.00 0.00 N ATOM 804 CA LEU A 58 -15.943 -2.454 -10.484 1.00 0.00 C ATOM 805 C LEU A 58 -16.602 -3.209 -9.333 1.00 0.00 C ATOM 806 O LEU A 58 -17.487 -2.681 -8.660 1.00 0.00 O ATOM 807 CB LEU A 58 -14.440 -2.319 -10.233 1.00 0.00 C ATOM 808 CG LEU A 58 -13.920 -0.880 -10.183 1.00 0.00 C ATOM 809 CD1 LEU A 58 -14.018 -0.328 -8.769 1.00 0.00 C ATOM 810 CD2 LEU A 58 -12.487 -0.808 -10.688 1.00 0.00 C ATOM 0 H LEU A 58 -16.168 -0.424 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.105 -3.022 -11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.199 -2.810 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.906 -2.855 -11.017 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.542 -0.268 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.644 0.696 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.059 -0.340 -8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.421 -0.944 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.137 0.223 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.849 -1.434 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.446 -1.161 -11.718 1.00 0.00 H new ATOM 822 N PRO A 59 -16.180 -4.461 -9.092 1.00 0.00 N ATOM 823 CA PRO A 59 -15.127 -5.119 -9.878 1.00 0.00 C ATOM 824 C PRO A 59 -15.496 -5.248 -11.351 1.00 0.00 C ATOM 825 O PRO A 59 -16.657 -5.470 -11.694 1.00 0.00 O ATOM 826 CB PRO A 59 -15.009 -6.507 -9.238 1.00 0.00 C ATOM 827 CG PRO A 59 -15.619 -6.367 -7.885 1.00 0.00 C ATOM 828 CD PRO A 59 -16.699 -5.334 -8.029 1.00 0.00 C ATOM 0 HA PRO A 59 -14.199 -4.548 -9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.531 -7.259 -9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.968 -6.822 -9.170 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.029 -7.316 -7.541 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.876 -6.056 -7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.653 -5.783 -8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.861 -4.787 -7.100 1.00 0.00 H new ATOM 836 N PHE A 60 -14.500 -5.106 -12.220 1.00 0.00 N ATOM 837 CA PHE A 60 -14.718 -5.207 -13.658 1.00 0.00 C ATOM 838 C PHE A 60 -13.652 -6.080 -14.311 1.00 0.00 C ATOM 839 O PHE A 60 -12.457 -5.803 -14.203 1.00 0.00 O ATOM 840 CB PHE A 60 -14.714 -3.815 -14.293 1.00 0.00 C ATOM 841 CG PHE A 60 -13.337 -3.303 -14.608 1.00 0.00 C ATOM 842 CD1 PHE A 60 -12.488 -2.895 -13.592 1.00 0.00 C ATOM 843 CD2 PHE A 60 -12.893 -3.229 -15.918 1.00 0.00 C ATOM 844 CE1 PHE A 60 -11.221 -2.422 -13.878 1.00 0.00 C ATOM 845 CE2 PHE A 60 -11.627 -2.759 -16.209 1.00 0.00 C ATOM 846 CZ PHE A 60 -10.790 -2.355 -15.188 1.00 0.00 C ATOM 0 H PHE A 60 -13.533 -4.920 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 60 -15.690 -5.671 -13.821 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -15.302 -3.841 -15.211 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.207 -3.115 -13.618 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.820 -2.947 -12.566 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.544 -3.542 -16.721 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.569 -2.105 -13.078 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -11.292 -2.708 -17.235 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.800 -1.987 -15.414 1.00 0.00 H new ATOM 856 N THR A 61 -14.092 -7.135 -14.989 1.00 0.00 N ATOM 857 CA THR A 61 -13.179 -8.049 -15.658 1.00 0.00 C ATOM 858 C THR A 61 -12.755 -7.503 -17.018 1.00 0.00 C ATOM 859 O THR A 61 -13.508 -6.775 -17.666 1.00 0.00 O ATOM 860 CB THR A 61 -13.823 -9.432 -15.852 1.00 0.00 C ATOM 861 OG1 THR A 61 -15.192 -9.285 -16.246 1.00 0.00 O ATOM 862 CG2 THR A 61 -13.744 -10.252 -14.574 1.00 0.00 C ATOM 0 H THR A 61 -15.078 -7.377 -15.089 1.00 0.00 H new ATOM 0 HA THR A 61 -12.301 -8.148 -15.020 1.00 0.00 H new ATOM 0 HB THR A 61 -13.274 -9.956 -16.635 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.594 -10.170 -16.369 1.00 0.00 H new ATOM 0 HG21 THR A 61 -14.206 -11.226 -14.737 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.700 -10.389 -14.293 1.00 0.00 H new ATOM 0 HG23 THR A 61 -14.269 -9.730 -13.774 1.00 0.00 H new ATOM 870 N TYR A 62 -11.549 -7.859 -17.446 1.00 0.00 N ATOM 871 CA TYR A 62 -11.030 -7.406 -18.732 1.00 0.00 C ATOM 872 C TYR A 62 -9.900 -8.312 -19.215 1.00 0.00 C ATOM 873 O TYR A 62 -8.942 -8.572 -18.486 1.00 0.00 O ATOM 874 CB TYR A 62 -10.539 -5.959 -18.630 1.00 0.00 C ATOM 875 CG TYR A 62 -9.554 -5.573 -19.710 1.00 0.00 C ATOM 876 CD1 TYR A 62 -9.994 -5.163 -20.962 1.00 0.00 C ATOM 877 CD2 TYR A 62 -8.185 -5.619 -19.478 1.00 0.00 C ATOM 878 CE1 TYR A 62 -9.097 -4.809 -21.953 1.00 0.00 C ATOM 879 CE2 TYR A 62 -7.282 -5.267 -20.463 1.00 0.00 C ATOM 880 CZ TYR A 62 -7.743 -4.864 -21.699 1.00 0.00 C ATOM 881 OH TYR A 62 -6.847 -4.512 -22.682 1.00 0.00 O ATOM 0 H TYR A 62 -10.912 -8.460 -16.922 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.841 -7.453 -19.459 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.398 -5.289 -18.678 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.073 -5.811 -17.656 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.054 -5.120 -21.165 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.820 -5.935 -18.512 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.455 -4.491 -22.921 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.221 -5.307 -20.266 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.933 -4.605 -22.340 1.00 0.00 H new ATOM 891 N ASN A 63 -10.028 -8.795 -20.449 1.00 0.00 N ATOM 892 CA ASN A 63 -9.025 -9.676 -21.046 1.00 0.00 C ATOM 893 C ASN A 63 -9.125 -11.103 -20.500 1.00 0.00 C ATOM 894 O ASN A 63 -8.514 -12.024 -21.042 1.00 0.00 O ATOM 895 CB ASN A 63 -7.616 -9.110 -20.820 1.00 0.00 C ATOM 896 CG ASN A 63 -6.924 -9.690 -19.599 1.00 0.00 C ATOM 897 OD1 ASN A 63 -6.497 -8.821 -18.691 1.00 0.00 O flip ATOM 898 ND2 ASN A 63 -6.775 -10.907 -19.475 1.00 0.00 N flip ATOM 0 H ASN A 63 -10.820 -8.590 -21.058 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.221 -9.722 -22.117 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.007 -9.307 -21.702 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.680 -8.027 -20.713 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.119 -11.539 -20.198 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.308 -11.282 -18.650 1.00 0.00 H new ATOM 905 N GLY A 64 -9.889 -11.281 -19.426 1.00 0.00 N ATOM 906 CA GLY A 64 -10.037 -12.596 -18.835 1.00 0.00 C ATOM 907 C GLY A 64 -9.751 -12.583 -17.348 1.00 0.00 C ATOM 908 O GLY A 64 -9.867 -13.608 -16.675 1.00 0.00 O ATOM 0 H GLY A 64 -10.407 -10.538 -18.956 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.050 -12.959 -19.006 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.361 -13.294 -19.329 1.00 0.00 H new ATOM 912 N ARG A 65 -9.375 -11.416 -16.833 1.00 0.00 N ATOM 913 CA ARG A 65 -9.069 -11.268 -15.417 1.00 0.00 C ATOM 914 C ARG A 65 -10.067 -10.322 -14.751 1.00 0.00 C ATOM 915 O ARG A 65 -10.537 -9.366 -15.367 1.00 0.00 O ATOM 916 CB ARG A 65 -7.623 -10.769 -15.245 1.00 0.00 C ATOM 917 CG ARG A 65 -7.481 -9.470 -14.463 1.00 0.00 C ATOM 918 CD ARG A 65 -7.491 -9.716 -12.962 1.00 0.00 C ATOM 919 NE ARG A 65 -6.752 -10.921 -12.600 1.00 0.00 N ATOM 920 CZ ARG A 65 -7.003 -11.640 -11.510 1.00 0.00 C ATOM 921 NH1 ARG A 65 -7.970 -11.274 -10.681 1.00 0.00 N ATOM 922 NH2 ARG A 65 -6.287 -12.726 -11.250 1.00 0.00 N ATOM 0 H ARG A 65 -9.275 -10.559 -17.377 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.157 -12.238 -14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.044 -11.544 -14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.182 -10.632 -16.232 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.552 -8.975 -14.745 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.295 -8.795 -14.727 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.056 -8.857 -12.451 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.521 -9.805 -12.616 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.001 -11.229 -13.218 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.523 -10.440 -10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.162 -11.826 -9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.543 -13.011 -11.887 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.481 -13.276 -10.413 1.00 0.00 H new ATOM 936 N THR A 66 -10.384 -10.593 -13.489 1.00 0.00 N ATOM 937 CA THR A 66 -11.323 -9.763 -12.744 1.00 0.00 C ATOM 938 C THR A 66 -10.588 -8.727 -11.900 1.00 0.00 C ATOM 939 O THR A 66 -10.060 -9.043 -10.834 1.00 0.00 O ATOM 940 CB THR A 66 -12.221 -10.613 -11.827 1.00 0.00 C ATOM 941 OG1 THR A 66 -12.869 -11.640 -12.589 1.00 0.00 O ATOM 942 CG2 THR A 66 -13.269 -9.748 -11.142 1.00 0.00 C ATOM 0 H THR A 66 -10.005 -11.380 -12.962 1.00 0.00 H new ATOM 0 HA THR A 66 -11.947 -9.254 -13.478 1.00 0.00 H new ATOM 0 HB THR A 66 -11.592 -11.069 -11.063 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.437 -12.177 -11.998 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.891 -10.371 -10.499 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.775 -8.986 -10.540 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.893 -9.267 -11.895 1.00 0.00 H new ATOM 950 N PHE A 67 -10.560 -7.490 -12.383 1.00 0.00 N ATOM 951 CA PHE A 67 -9.890 -6.406 -11.672 1.00 0.00 C ATOM 952 C PHE A 67 -10.838 -5.733 -10.686 1.00 0.00 C ATOM 953 O PHE A 67 -11.922 -5.285 -11.059 1.00 0.00 O ATOM 954 CB PHE A 67 -9.351 -5.375 -12.665 1.00 0.00 C ATOM 955 CG PHE A 67 -8.696 -5.986 -13.871 1.00 0.00 C ATOM 956 CD1 PHE A 67 -9.461 -6.446 -14.931 1.00 0.00 C ATOM 957 CD2 PHE A 67 -7.318 -6.100 -13.944 1.00 0.00 C ATOM 958 CE1 PHE A 67 -8.862 -7.007 -16.042 1.00 0.00 C ATOM 959 CE2 PHE A 67 -6.714 -6.662 -15.052 1.00 0.00 C ATOM 960 CZ PHE A 67 -7.487 -7.116 -16.103 1.00 0.00 C ATOM 0 H PHE A 67 -10.993 -7.212 -13.264 1.00 0.00 H new ATOM 0 HA PHE A 67 -9.057 -6.832 -11.112 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -10.171 -4.735 -12.992 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.631 -4.735 -12.156 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -10.537 -6.365 -14.888 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.709 -5.746 -13.126 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -9.469 -7.360 -16.863 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.638 -6.746 -15.097 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.017 -7.555 -16.970 1.00 0.00 H new ATOM 970 N TYR A 68 -10.422 -5.664 -9.426 1.00 0.00 N ATOM 971 CA TYR A 68 -11.233 -5.044 -8.385 1.00 0.00 C ATOM 972 C TYR A 68 -10.977 -3.542 -8.320 1.00 0.00 C ATOM 973 O TYR A 68 -11.766 -2.790 -7.747 1.00 0.00 O ATOM 974 CB TYR A 68 -10.935 -5.683 -7.028 1.00 0.00 C ATOM 975 CG TYR A 68 -11.792 -6.892 -6.726 1.00 0.00 C ATOM 976 CD1 TYR A 68 -11.710 -8.038 -7.507 1.00 0.00 C ATOM 977 CD2 TYR A 68 -12.683 -6.887 -5.660 1.00 0.00 C ATOM 978 CE1 TYR A 68 -12.490 -9.144 -7.234 1.00 0.00 C ATOM 979 CE2 TYR A 68 -13.467 -7.990 -5.380 1.00 0.00 C ATOM 980 CZ TYR A 68 -13.367 -9.116 -6.170 1.00 0.00 C ATOM 981 OH TYR A 68 -14.147 -10.217 -5.896 1.00 0.00 O ATOM 0 H TYR A 68 -9.527 -6.030 -9.101 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.282 -5.206 -8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.885 -5.975 -6.996 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.083 -4.939 -6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.025 -8.064 -8.341 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.764 -6.007 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.414 -10.027 -7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.154 -7.970 -4.547 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.709 -10.034 -5.114 1.00 0.00 H new ATOM 991 N SER A 69 -9.867 -3.110 -8.911 1.00 0.00 N ATOM 992 CA SER A 69 -9.505 -1.698 -8.921 1.00 0.00 C ATOM 993 C SER A 69 -8.973 -1.284 -10.290 1.00 0.00 C ATOM 994 O SER A 69 -9.311 -1.889 -11.307 1.00 0.00 O ATOM 995 CB SER A 69 -8.456 -1.411 -7.846 1.00 0.00 C ATOM 996 OG SER A 69 -8.502 -2.383 -6.815 1.00 0.00 O ATOM 0 H SER A 69 -9.203 -3.719 -9.389 1.00 0.00 H new ATOM 0 HA SER A 69 -10.402 -1.117 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.463 -1.400 -8.296 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.625 -0.420 -7.424 1.00 0.00 H new ATOM 0 HG SER A 69 -7.821 -2.178 -6.141 1.00 0.00 H new ATOM 1002 N CYS A 70 -8.139 -0.249 -10.307 1.00 0.00 N ATOM 1003 CA CYS A 70 -7.559 0.245 -11.550 1.00 0.00 C ATOM 1004 C CYS A 70 -6.401 -0.639 -12.000 1.00 0.00 C ATOM 1005 O CYS A 70 -5.827 -1.380 -11.201 1.00 0.00 O ATOM 1006 CB CYS A 70 -7.080 1.686 -11.376 1.00 0.00 C ATOM 1007 SG CYS A 70 -8.397 2.858 -10.913 1.00 0.00 S ATOM 0 H CYS A 70 -7.850 0.264 -9.474 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.332 0.217 -12.318 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.303 1.709 -10.612 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.622 2.020 -12.307 1.00 0.00 H new ATOM 1012 N THR A 71 -6.060 -0.555 -13.281 1.00 0.00 N ATOM 1013 CA THR A 71 -4.969 -1.347 -13.835 1.00 0.00 C ATOM 1014 C THR A 71 -4.456 -0.744 -15.138 1.00 0.00 C ATOM 1015 O THR A 71 -5.226 -0.190 -15.922 1.00 0.00 O ATOM 1016 CB THR A 71 -5.406 -2.801 -14.094 1.00 0.00 C ATOM 1017 OG1 THR A 71 -4.255 -3.645 -14.218 1.00 0.00 O ATOM 1018 CG2 THR A 71 -6.248 -2.898 -15.357 1.00 0.00 C ATOM 0 H THR A 71 -6.524 0.054 -13.955 1.00 0.00 H new ATOM 0 HA THR A 71 -4.168 -1.341 -13.095 1.00 0.00 H new ATOM 0 HB THR A 71 -6.009 -3.130 -13.248 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.542 -4.568 -14.381 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.544 -3.935 -15.518 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.138 -2.279 -15.249 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.666 -2.550 -16.210 1.00 0.00 H new ATOM 1026 N THR A 72 -3.151 -0.857 -15.362 1.00 0.00 N ATOM 1027 CA THR A 72 -2.535 -0.324 -16.571 1.00 0.00 C ATOM 1028 C THR A 72 -2.621 -1.324 -17.719 1.00 0.00 C ATOM 1029 O THR A 72 -2.341 -0.989 -18.870 1.00 0.00 O ATOM 1030 CB THR A 72 -1.058 0.042 -16.336 1.00 0.00 C ATOM 1031 OG1 THR A 72 -0.236 -1.124 -16.472 1.00 0.00 O ATOM 1032 CG2 THR A 72 -0.863 0.645 -14.953 1.00 0.00 C ATOM 0 H THR A 72 -2.500 -1.313 -14.722 1.00 0.00 H new ATOM 0 HA THR A 72 -3.088 0.578 -16.835 1.00 0.00 H new ATOM 0 HB THR A 72 -0.767 0.781 -17.083 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.702 -0.882 -16.323 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.188 0.895 -14.810 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.467 1.548 -14.861 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.170 -0.076 -14.195 1.00 0.00 H new ATOM 1040 N GLU A 73 -3.012 -2.554 -17.398 1.00 0.00 N ATOM 1041 CA GLU A 73 -3.135 -3.603 -18.403 1.00 0.00 C ATOM 1042 C GLU A 73 -3.647 -3.037 -19.723 1.00 0.00 C ATOM 1043 O GLU A 73 -4.818 -2.680 -19.844 1.00 0.00 O ATOM 1044 CB GLU A 73 -4.076 -4.705 -17.908 1.00 0.00 C ATOM 1045 CG GLU A 73 -3.397 -6.053 -17.735 1.00 0.00 C ATOM 1046 CD GLU A 73 -2.390 -6.344 -18.829 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -2.747 -6.203 -20.018 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -1.243 -6.714 -18.497 1.00 0.00 O ATOM 0 H GLU A 73 -3.249 -2.848 -16.450 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.145 -4.027 -18.571 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.509 -4.401 -16.955 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.901 -4.811 -18.613 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.895 -6.081 -16.768 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.153 -6.838 -17.725 1.00 0.00 H new ATOM 1055 N GLY A 74 -2.760 -2.955 -20.710 1.00 0.00 N ATOM 1056 CA GLY A 74 -3.140 -2.430 -22.007 1.00 0.00 C ATOM 1057 C GLY A 74 -2.610 -1.030 -22.244 1.00 0.00 C ATOM 1058 O GLY A 74 -2.141 -0.712 -23.336 1.00 0.00 O ATOM 0 H GLY A 74 -1.785 -3.243 -20.634 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.767 -3.093 -22.787 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.227 -2.422 -22.088 1.00 0.00 H new ATOM 1062 N ARG A 75 -2.685 -0.189 -21.216 1.00 0.00 N ATOM 1063 CA ARG A 75 -2.209 1.185 -21.317 1.00 0.00 C ATOM 1064 C ARG A 75 -0.701 1.255 -21.098 1.00 0.00 C ATOM 1065 O ARG A 75 -0.175 0.685 -20.143 1.00 0.00 O ATOM 1066 CB ARG A 75 -2.926 2.072 -20.298 1.00 0.00 C ATOM 1067 CG ARG A 75 -4.368 2.380 -20.668 1.00 0.00 C ATOM 1068 CD ARG A 75 -4.527 2.585 -22.166 1.00 0.00 C ATOM 1069 NE ARG A 75 -3.598 3.584 -22.684 1.00 0.00 N ATOM 1070 CZ ARG A 75 -3.475 3.875 -23.975 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -4.221 3.245 -24.873 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -2.607 4.797 -24.370 1.00 0.00 N ATOM 0 H ARG A 75 -3.071 -0.436 -20.305 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.430 1.547 -22.321 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.906 1.582 -19.325 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.378 3.009 -20.195 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.011 1.563 -20.341 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.697 3.275 -20.140 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.364 1.638 -22.681 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.549 2.894 -22.383 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.011 4.087 -22.019 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.890 2.536 -24.573 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.125 3.470 -25.863 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.032 5.284 -23.682 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.514 5.019 -25.361 1.00 0.00 H new ATOM 1086 N GLN A 76 -0.012 1.961 -21.989 1.00 0.00 N ATOM 1087 CA GLN A 76 1.437 2.106 -21.893 1.00 0.00 C ATOM 1088 C GLN A 76 1.819 3.550 -21.586 1.00 0.00 C ATOM 1089 O GLN A 76 2.864 4.032 -22.024 1.00 0.00 O ATOM 1090 CB GLN A 76 2.102 1.654 -23.194 1.00 0.00 C ATOM 1091 CG GLN A 76 3.075 0.501 -23.010 1.00 0.00 C ATOM 1092 CD GLN A 76 2.467 -0.839 -23.375 1.00 0.00 C ATOM 1093 OE1 GLN A 76 1.667 -0.938 -24.305 1.00 0.00 O ATOM 1094 NE2 GLN A 76 2.842 -1.879 -22.640 1.00 0.00 N ATOM 0 H GLN A 76 -0.433 2.441 -22.785 1.00 0.00 H new ATOM 0 HA GLN A 76 1.788 1.475 -21.076 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.329 1.357 -23.903 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.631 2.499 -23.634 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.958 0.674 -23.624 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.409 0.474 -21.973 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.508 -1.751 -21.878 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.464 -2.806 -22.837 1.00 0.00 H new ATOM 1103 N ASP A 77 0.968 4.235 -20.830 1.00 0.00 N ATOM 1104 CA ASP A 77 1.217 5.625 -20.465 1.00 0.00 C ATOM 1105 C ASP A 77 1.703 5.730 -19.024 1.00 0.00 C ATOM 1106 O ASP A 77 2.172 6.782 -18.591 1.00 0.00 O ATOM 1107 CB ASP A 77 -0.052 6.459 -20.651 1.00 0.00 C ATOM 1108 CG ASP A 77 -0.984 5.869 -21.690 1.00 0.00 C ATOM 1109 OD1 ASP A 77 -0.502 5.503 -22.782 1.00 0.00 O ATOM 1110 OD2 ASP A 77 -2.199 5.773 -21.412 1.00 0.00 O ATOM 0 H ASP A 77 0.100 3.850 -20.458 1.00 0.00 H new ATOM 0 HA ASP A 77 1.996 6.013 -21.121 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.576 6.535 -19.698 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.222 7.472 -20.946 1.00 0.00 H new ATOM 1115 N GLY A 78 1.584 4.633 -18.282 1.00 0.00 N ATOM 1116 CA GLY A 78 2.015 4.623 -16.897 1.00 0.00 C ATOM 1117 C GLY A 78 0.860 4.443 -15.933 1.00 0.00 C ATOM 1118 O GLY A 78 0.745 3.407 -15.277 1.00 0.00 O ATOM 0 H GLY A 78 1.196 3.751 -18.616 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.736 3.819 -16.750 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.529 5.557 -16.673 1.00 0.00 H new ATOM 1122 N HIS A 79 0.002 5.454 -15.845 1.00 0.00 N ATOM 1123 CA HIS A 79 -1.151 5.403 -14.954 1.00 0.00 C ATOM 1124 C HIS A 79 -1.994 4.161 -15.226 1.00 0.00 C ATOM 1125 O HIS A 79 -1.738 3.421 -16.175 1.00 0.00 O ATOM 1126 CB HIS A 79 -2.006 6.661 -15.119 1.00 0.00 C ATOM 1127 CG HIS A 79 -1.208 7.894 -15.408 1.00 0.00 C ATOM 1128 ND1 HIS A 79 -1.337 8.617 -16.575 1.00 0.00 N ATOM 1129 CD2 HIS A 79 -0.266 8.532 -14.674 1.00 0.00 C ATOM 1130 CE1 HIS A 79 -0.509 9.646 -16.546 1.00 0.00 C ATOM 1131 NE2 HIS A 79 0.152 9.617 -15.404 1.00 0.00 N ATOM 0 H HIS A 79 0.084 6.319 -16.380 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.785 5.354 -13.929 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.719 6.502 -15.928 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.586 6.818 -14.209 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.090 8.242 -13.697 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.393 10.385 -17.325 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.859 10.291 -15.111 1.00 0.00 H new ATOM 1140 N LEU A 80 -3.000 3.938 -14.386 1.00 0.00 N ATOM 1141 CA LEU A 80 -3.880 2.786 -14.537 1.00 0.00 C ATOM 1142 C LEU A 80 -5.235 3.203 -15.099 1.00 0.00 C ATOM 1143 O LEU A 80 -5.546 4.392 -15.175 1.00 0.00 O ATOM 1144 CB LEU A 80 -4.069 2.082 -13.191 1.00 0.00 C ATOM 1145 CG LEU A 80 -2.779 1.819 -12.411 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -2.211 3.121 -11.868 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -3.029 0.830 -11.284 1.00 0.00 C ATOM 0 H LEU A 80 -3.225 4.540 -13.594 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.413 2.096 -15.240 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.733 2.686 -12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.572 1.130 -13.363 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.047 1.383 -13.091 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.294 2.916 -11.316 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.993 3.796 -12.696 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.939 3.586 -11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.100 0.655 -10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.777 1.236 -10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.389 -0.111 -11.699 1.00 0.00 H new ATOM 1159 N TRP A 81 -6.034 2.218 -15.492 1.00 0.00 N ATOM 1160 CA TRP A 81 -7.357 2.481 -16.048 1.00 0.00 C ATOM 1161 C TRP A 81 -8.372 1.465 -15.536 1.00 0.00 C ATOM 1162 O TRP A 81 -8.011 0.355 -15.144 1.00 0.00 O ATOM 1163 CB TRP A 81 -7.306 2.441 -17.577 1.00 0.00 C ATOM 1164 CG TRP A 81 -6.949 1.094 -18.123 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -5.694 0.602 -18.336 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -7.858 0.063 -18.527 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -5.766 -0.671 -18.847 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -7.084 -1.025 -18.974 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -9.251 -0.045 -18.553 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -7.658 -2.205 -19.441 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -9.819 -1.218 -19.017 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -9.023 -2.284 -19.456 1.00 0.00 C ATOM 0 H TRP A 81 -5.789 1.229 -15.436 1.00 0.00 H new ATOM 0 HA TRP A 81 -7.669 3.475 -15.727 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -8.276 2.741 -17.974 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -6.578 3.172 -17.928 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -4.778 1.136 -18.132 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.968 -1.257 -19.092 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -9.872 0.772 -18.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -7.047 -3.028 -19.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.894 -1.314 -19.041 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -9.497 -3.186 -19.813 1.00 0.00 H new ATOM 1183 N CYS A 82 -9.643 1.851 -15.540 1.00 0.00 N ATOM 1184 CA CYS A 82 -10.710 0.972 -15.075 1.00 0.00 C ATOM 1185 C CYS A 82 -11.998 1.221 -15.853 1.00 0.00 C ATOM 1186 O CYS A 82 -12.200 2.299 -16.411 1.00 0.00 O ATOM 1187 CB CYS A 82 -10.953 1.177 -13.579 1.00 0.00 C ATOM 1188 SG CYS A 82 -12.081 2.553 -13.188 1.00 0.00 S ATOM 0 H CYS A 82 -9.960 2.766 -15.860 1.00 0.00 H new ATOM 0 HA CYS A 82 -10.399 -0.059 -15.246 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -11.360 0.257 -13.159 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -9.996 1.355 -13.088 1.00 0.00 H new ATOM 1193 N SER A 83 -12.868 0.216 -15.884 1.00 0.00 N ATOM 1194 CA SER A 83 -14.137 0.325 -16.594 1.00 0.00 C ATOM 1195 C SER A 83 -15.139 1.151 -15.795 1.00 0.00 C ATOM 1196 O SER A 83 -15.270 0.984 -14.582 1.00 0.00 O ATOM 1197 CB SER A 83 -14.711 -1.066 -16.872 1.00 0.00 C ATOM 1198 OG SER A 83 -15.147 -1.686 -15.674 1.00 0.00 O ATOM 0 H SER A 83 -12.717 -0.683 -15.426 1.00 0.00 H new ATOM 0 HA SER A 83 -13.952 0.830 -17.542 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.546 -0.986 -17.569 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.954 -1.686 -17.352 1.00 0.00 H new ATOM 0 HG SER A 83 -14.377 -1.843 -15.088 1.00 0.00 H new ATOM 1204 N THR A 84 -15.846 2.042 -16.483 1.00 0.00 N ATOM 1205 CA THR A 84 -16.838 2.894 -15.838 1.00 0.00 C ATOM 1206 C THR A 84 -18.240 2.313 -15.986 1.00 0.00 C ATOM 1207 O THR A 84 -19.212 3.049 -16.150 1.00 0.00 O ATOM 1208 CB THR A 84 -16.820 4.318 -16.423 1.00 0.00 C ATOM 1209 OG1 THR A 84 -16.535 4.270 -17.825 1.00 0.00 O ATOM 1210 CG2 THR A 84 -15.782 5.180 -15.719 1.00 0.00 C ATOM 0 H THR A 84 -15.750 2.193 -17.487 1.00 0.00 H new ATOM 0 HA THR A 84 -16.577 2.940 -14.781 1.00 0.00 H new ATOM 0 HB THR A 84 -17.804 4.762 -16.268 1.00 0.00 H new ATOM 0 HG1 THR A 84 -15.999 5.051 -18.077 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.788 6.181 -16.150 1.00 0.00 H new ATOM 0 HG22 THR A 84 -16.019 5.240 -14.657 1.00 0.00 H new ATOM 0 HG23 THR A 84 -14.794 4.737 -15.846 1.00 0.00 H new ATOM 1218 N THR A 85 -18.335 0.988 -15.929 1.00 0.00 N ATOM 1219 CA THR A 85 -19.620 0.309 -16.057 1.00 0.00 C ATOM 1220 C THR A 85 -19.495 -1.171 -15.712 1.00 0.00 C ATOM 1221 O THR A 85 -18.576 -1.850 -16.169 1.00 0.00 O ATOM 1222 CB THR A 85 -20.188 0.447 -17.481 1.00 0.00 C ATOM 1223 OG1 THR A 85 -19.128 0.370 -18.442 1.00 0.00 O ATOM 1224 CG2 THR A 85 -20.928 1.765 -17.641 1.00 0.00 C ATOM 0 H THR A 85 -17.539 0.364 -15.795 1.00 0.00 H new ATOM 0 HA THR A 85 -20.303 0.787 -15.354 1.00 0.00 H new ATOM 0 HB THR A 85 -20.890 -0.370 -17.649 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.497 -0.331 -18.177 1.00 0.00 H new ATOM 0 HG21 THR A 85 -21.321 1.841 -18.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 -21.752 1.809 -16.928 1.00 0.00 H new ATOM 0 HG23 THR A 85 -20.243 2.592 -17.454 1.00 0.00 H new ATOM 1232 N SER A 86 -20.426 -1.663 -14.901 1.00 0.00 N ATOM 1233 CA SER A 86 -20.422 -3.063 -14.493 1.00 0.00 C ATOM 1234 C SER A 86 -19.947 -3.961 -15.631 1.00 0.00 C ATOM 1235 O SER A 86 -18.828 -4.472 -15.606 1.00 0.00 O ATOM 1236 CB SER A 86 -21.821 -3.488 -14.042 1.00 0.00 C ATOM 1237 OG SER A 86 -21.975 -4.895 -14.113 1.00 0.00 O ATOM 0 H SER A 86 -21.193 -1.113 -14.514 1.00 0.00 H new ATOM 0 HA SER A 86 -19.730 -3.170 -13.658 1.00 0.00 H new ATOM 0 HB2 SER A 86 -21.995 -3.151 -13.020 1.00 0.00 H new ATOM 0 HB3 SER A 86 -22.571 -3.005 -14.669 1.00 0.00 H new ATOM 0 HG SER A 86 -22.877 -5.141 -13.818 1.00 0.00 H new ATOM 1243 N ASN A 87 -20.806 -4.148 -16.628 1.00 0.00 N ATOM 1244 CA ASN A 87 -20.474 -4.984 -17.775 1.00 0.00 C ATOM 1245 C ASN A 87 -19.545 -4.248 -18.735 1.00 0.00 C ATOM 1246 O ASN A 87 -19.969 -3.787 -19.794 1.00 0.00 O ATOM 1247 CB ASN A 87 -21.748 -5.410 -18.508 1.00 0.00 C ATOM 1248 CG ASN A 87 -22.726 -4.265 -18.680 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -23.968 -4.477 -18.258 1.00 0.00 O flip ATOM 1250 ND2 ASN A 87 -22.372 -3.201 -19.187 1.00 0.00 N flip ATOM 0 H ASN A 87 -21.737 -3.732 -16.664 1.00 0.00 H new ATOM 0 HA ASN A 87 -19.959 -5.872 -17.408 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -21.484 -5.809 -19.487 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -22.230 -6.216 -17.955 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -21.408 -3.080 -19.498 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -23.043 -2.440 -19.296 1.00 0.00 H new ATOM 1257 N TYR A 88 -18.276 -4.142 -18.355 1.00 0.00 N ATOM 1258 CA TYR A 88 -17.286 -3.462 -19.182 1.00 0.00 C ATOM 1259 C TYR A 88 -17.320 -3.984 -20.614 1.00 0.00 C ATOM 1260 O TYR A 88 -17.245 -3.211 -21.570 1.00 0.00 O ATOM 1261 CB TYR A 88 -15.886 -3.648 -18.593 1.00 0.00 C ATOM 1262 CG TYR A 88 -14.772 -3.395 -19.584 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -14.261 -2.118 -19.774 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -14.231 -4.436 -20.330 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -13.244 -1.884 -20.679 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -13.213 -4.210 -21.236 1.00 0.00 C ATOM 1267 CZ TYR A 88 -12.723 -2.933 -21.408 1.00 0.00 C ATOM 1268 OH TYR A 88 -11.709 -2.703 -22.309 1.00 0.00 O ATOM 0 H TYR A 88 -17.909 -4.518 -17.481 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.530 -2.400 -19.197 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.766 -2.974 -17.745 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -15.795 -4.664 -18.209 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -14.665 -1.294 -19.205 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.613 -5.438 -20.199 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.858 -0.884 -20.815 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.803 -5.030 -21.807 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.983 -3.343 -22.155 1.00 0.00 H new ATOM 1278 N GLU A 89 -17.437 -5.301 -20.756 1.00 0.00 N ATOM 1279 CA GLU A 89 -17.482 -5.926 -22.072 1.00 0.00 C ATOM 1280 C GLU A 89 -18.722 -5.486 -22.843 1.00 0.00 C ATOM 1281 O GLU A 89 -18.830 -5.712 -24.048 1.00 0.00 O ATOM 1282 CB GLU A 89 -17.467 -7.450 -21.936 1.00 0.00 C ATOM 1283 CG GLU A 89 -18.282 -7.964 -20.761 1.00 0.00 C ATOM 1284 CD GLU A 89 -18.568 -9.449 -20.853 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -19.570 -9.822 -21.498 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -17.788 -10.241 -20.281 1.00 0.00 O ATOM 0 H GLU A 89 -17.502 -5.955 -19.976 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.600 -5.608 -22.627 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.851 -7.892 -22.855 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -16.436 -7.787 -21.827 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.746 -7.758 -19.835 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.225 -7.419 -20.712 1.00 0.00 H new ATOM 1293 N GLN A 90 -19.657 -4.855 -22.139 1.00 0.00 N ATOM 1294 CA GLN A 90 -20.890 -4.382 -22.758 1.00 0.00 C ATOM 1295 C GLN A 90 -20.766 -2.920 -23.171 1.00 0.00 C ATOM 1296 O GLN A 90 -20.866 -2.588 -24.352 1.00 0.00 O ATOM 1297 CB GLN A 90 -22.066 -4.554 -21.794 1.00 0.00 C ATOM 1298 CG GLN A 90 -22.761 -5.900 -21.916 1.00 0.00 C ATOM 1299 CD GLN A 90 -24.220 -5.843 -21.508 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -24.485 -6.060 -20.224 1.00 0.00 O flip ATOM 1301 NE2 GLN A 90 -25.099 -5.605 -22.336 1.00 0.00 N flip ATOM 0 H GLN A 90 -19.584 -4.660 -21.141 1.00 0.00 H new ATOM 0 HA GLN A 90 -21.071 -4.978 -23.652 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -21.708 -4.431 -20.772 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -22.792 -3.762 -21.975 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -22.689 -6.250 -22.946 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -22.242 -6.630 -21.295 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -24.850 -5.444 -23.312 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -26.076 -5.568 -22.046 1.00 0.00 H new ATOM 1310 N ASP A 91 -20.547 -2.050 -22.192 1.00 0.00 N ATOM 1311 CA ASP A 91 -20.409 -0.622 -22.455 1.00 0.00 C ATOM 1312 C ASP A 91 -19.032 -0.303 -23.027 1.00 0.00 C ATOM 1313 O ASP A 91 -18.913 0.385 -24.040 1.00 0.00 O ATOM 1314 CB ASP A 91 -20.639 0.179 -21.171 1.00 0.00 C ATOM 1315 CG ASP A 91 -21.966 0.909 -21.174 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -22.096 1.903 -21.918 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -22.878 0.487 -20.432 1.00 0.00 O ATOM 0 H ASP A 91 -20.461 -2.308 -21.209 1.00 0.00 H new ATOM 0 HA ASP A 91 -21.162 -0.340 -23.191 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -20.600 -0.494 -20.315 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -19.831 0.900 -21.047 1.00 0.00 H new ATOM 1322 N GLN A 92 -17.993 -0.809 -22.370 1.00 0.00 N ATOM 1323 CA GLN A 92 -16.623 -0.580 -22.814 1.00 0.00 C ATOM 1324 C GLN A 92 -16.092 0.746 -22.278 1.00 0.00 C ATOM 1325 O GLN A 92 -15.033 1.216 -22.695 1.00 0.00 O ATOM 1326 CB GLN A 92 -16.550 -0.590 -24.342 1.00 0.00 C ATOM 1327 CG GLN A 92 -15.244 -1.146 -24.886 1.00 0.00 C ATOM 1328 CD GLN A 92 -15.374 -2.581 -25.358 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -14.874 -2.944 -26.423 1.00 0.00 O ATOM 1330 NE2 GLN A 92 -16.046 -3.407 -24.564 1.00 0.00 N ATOM 0 H GLN A 92 -18.074 -1.380 -21.529 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.002 -1.386 -22.422 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.378 -1.182 -24.733 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -16.683 0.427 -24.710 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.906 -0.524 -25.715 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.479 -1.090 -24.112 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.444 -3.063 -23.690 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.164 -4.385 -24.828 1.00 0.00 H new ATOM 1339 N LYS A 93 -16.832 1.344 -21.350 1.00 0.00 N ATOM 1340 CA LYS A 93 -16.434 2.615 -20.757 1.00 0.00 C ATOM 1341 C LYS A 93 -15.314 2.414 -19.741 1.00 0.00 C ATOM 1342 O LYS A 93 -15.160 1.331 -19.178 1.00 0.00 O ATOM 1343 CB LYS A 93 -17.633 3.286 -20.084 1.00 0.00 C ATOM 1344 CG LYS A 93 -17.591 4.803 -20.136 1.00 0.00 C ATOM 1345 CD LYS A 93 -18.539 5.352 -21.189 1.00 0.00 C ATOM 1346 CE LYS A 93 -19.504 6.366 -20.597 1.00 0.00 C ATOM 1347 NZ LYS A 93 -20.357 6.998 -21.642 1.00 0.00 N ATOM 0 H LYS A 93 -17.710 0.969 -20.993 1.00 0.00 H new ATOM 0 HA LYS A 93 -16.066 3.260 -21.555 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.549 2.940 -20.564 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.679 2.968 -19.042 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -17.856 5.209 -19.160 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.575 5.132 -20.353 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.964 5.819 -21.989 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -19.101 4.532 -21.637 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -20.138 5.875 -19.859 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.942 7.138 -20.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -21.001 7.683 -21.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.754 7.488 -22.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -20.913 6.265 -22.127 1.00 0.00 H new ATOM 1361 N TYR A 94 -14.534 3.466 -19.511 1.00 0.00 N ATOM 1362 CA TYR A 94 -13.428 3.403 -18.563 1.00 0.00 C ATOM 1363 C TYR A 94 -12.933 4.802 -18.208 1.00 0.00 C ATOM 1364 O TYR A 94 -13.461 5.801 -18.698 1.00 0.00 O ATOM 1365 CB TYR A 94 -12.279 2.575 -19.140 1.00 0.00 C ATOM 1366 CG TYR A 94 -11.650 3.183 -20.374 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -10.972 4.394 -20.308 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -11.736 2.545 -21.605 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -10.396 4.951 -21.433 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -11.163 3.096 -22.735 1.00 0.00 C ATOM 1371 CZ TYR A 94 -10.494 4.299 -22.644 1.00 0.00 C ATOM 1372 OH TYR A 94 -9.922 4.851 -23.768 1.00 0.00 O ATOM 0 H TYR A 94 -14.648 4.371 -19.968 1.00 0.00 H new ATOM 0 HA TYR A 94 -13.791 2.924 -17.654 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.512 2.452 -18.375 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -12.648 1.579 -19.384 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.894 4.908 -19.361 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.259 1.603 -21.680 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.871 5.893 -21.364 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.238 2.587 -23.685 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.081 4.265 -24.537 1.00 0.00 H new ATOM 1382 N SER A 95 -11.916 4.864 -17.356 1.00 0.00 N ATOM 1383 CA SER A 95 -11.348 6.139 -16.934 1.00 0.00 C ATOM 1384 C SER A 95 -9.992 5.936 -16.266 1.00 0.00 C ATOM 1385 O SER A 95 -9.815 5.015 -15.469 1.00 0.00 O ATOM 1386 CB SER A 95 -12.300 6.855 -15.975 1.00 0.00 C ATOM 1387 OG SER A 95 -13.533 7.153 -16.607 1.00 0.00 O ATOM 0 H SER A 95 -11.468 4.046 -16.944 1.00 0.00 H new ATOM 0 HA SER A 95 -11.207 6.756 -17.821 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.478 6.230 -15.100 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.838 7.776 -15.620 1.00 0.00 H new ATOM 0 HG SER A 95 -13.443 7.027 -17.575 1.00 0.00 H new ATOM 1393 N PHE A 96 -9.038 6.800 -16.596 1.00 0.00 N ATOM 1394 CA PHE A 96 -7.697 6.713 -16.028 1.00 0.00 C ATOM 1395 C PHE A 96 -7.686 7.207 -14.585 1.00 0.00 C ATOM 1396 O PHE A 96 -8.283 8.236 -14.266 1.00 0.00 O ATOM 1397 CB PHE A 96 -6.712 7.527 -16.867 1.00 0.00 C ATOM 1398 CG PHE A 96 -7.058 7.566 -18.327 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -7.367 6.400 -19.009 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -7.077 8.767 -19.017 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -7.687 6.432 -20.353 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -7.397 8.805 -20.361 1.00 0.00 C ATOM 1403 CZ PHE A 96 -7.703 7.635 -21.029 1.00 0.00 C ATOM 0 H PHE A 96 -9.168 7.569 -17.254 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.391 5.667 -16.037 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.676 8.546 -16.483 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.713 7.107 -16.750 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -7.358 5.456 -18.484 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -6.839 9.684 -18.499 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -7.924 5.516 -20.874 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.408 9.748 -20.888 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.954 7.662 -22.079 1.00 0.00 H new ATOM 1413 N CYS A 97 -7.005 6.467 -13.718 1.00 0.00 N ATOM 1414 CA CYS A 97 -6.916 6.828 -12.308 1.00 0.00 C ATOM 1415 C CYS A 97 -5.513 7.310 -11.957 1.00 0.00 C ATOM 1416 O CYS A 97 -4.677 7.517 -12.836 1.00 0.00 O ATOM 1417 CB CYS A 97 -7.289 5.635 -11.429 1.00 0.00 C ATOM 1418 SG CYS A 97 -8.235 4.339 -12.292 1.00 0.00 S ATOM 0 H CYS A 97 -6.506 5.613 -13.967 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.618 7.641 -12.124 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -6.377 5.196 -11.026 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.873 5.992 -10.581 1.00 0.00 H new ATOM 1423 N THR A 98 -5.263 7.482 -10.663 1.00 0.00 N ATOM 1424 CA THR A 98 -3.961 7.934 -10.191 1.00 0.00 C ATOM 1425 C THR A 98 -3.128 6.762 -9.686 1.00 0.00 C ATOM 1426 O THR A 98 -3.585 5.974 -8.859 1.00 0.00 O ATOM 1427 CB THR A 98 -4.102 8.974 -9.064 1.00 0.00 C ATOM 1428 OG1 THR A 98 -4.264 8.312 -7.803 1.00 0.00 O ATOM 1429 CG2 THR A 98 -5.290 9.889 -9.317 1.00 0.00 C ATOM 0 H THR A 98 -5.945 7.315 -9.923 1.00 0.00 H new ATOM 0 HA THR A 98 -3.458 8.398 -11.039 1.00 0.00 H new ATOM 0 HB THR A 98 -3.195 9.579 -9.043 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.333 7.345 -7.948 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.369 10.615 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.151 10.413 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.203 9.296 -9.363 1.00 0.00 H new ATOM 1481 N VAL A 102 1.120 0.630 -4.904 1.00 0.00 N ATOM 1482 CA VAL A 102 0.458 -0.639 -4.630 1.00 0.00 C ATOM 1483 C VAL A 102 0.968 -1.253 -3.331 1.00 0.00 C ATOM 1484 O VAL A 102 2.132 -1.084 -2.966 1.00 0.00 O ATOM 1485 CB VAL A 102 0.669 -1.639 -5.783 1.00 0.00 C ATOM 1486 CG1 VAL A 102 2.115 -1.610 -6.255 1.00 0.00 C ATOM 1487 CG2 VAL A 102 0.264 -3.044 -5.362 1.00 0.00 C ATOM 0 HA VAL A 102 -0.608 -0.431 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 102 0.031 -1.342 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.246 -2.322 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.363 -0.608 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.773 -1.879 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.422 -3.732 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.869 -3.357 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.789 -3.050 -5.081 1.00 0.00 H new ATOM 1497 N LEU A 103 0.089 -1.967 -2.635 1.00 0.00 N ATOM 1498 CA LEU A 103 0.448 -2.608 -1.376 1.00 0.00 C ATOM 1499 C LEU A 103 0.138 -4.099 -1.417 1.00 0.00 C ATOM 1500 O LEU A 103 -0.910 -4.514 -1.910 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.301 -1.951 -0.214 1.00 0.00 C ATOM 1502 CG LEU A 103 -0.625 -0.469 -0.411 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.036 -0.163 0.073 1.00 0.00 C ATOM 1504 CD2 LEU A 103 0.391 0.401 0.314 1.00 0.00 C ATOM 0 H LEU A 103 -0.878 -2.116 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 103 1.520 -2.483 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.232 -2.493 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.296 -2.060 0.692 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.571 -0.243 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.250 0.896 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.752 -0.760 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.118 -0.405 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.144 1.452 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.370 0.173 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.388 0.202 -0.080 1.00 0.00 H new ATOM 1516 N VAL A 104 1.060 -4.901 -0.895 1.00 0.00 N ATOM 1517 CA VAL A 104 0.888 -6.347 -0.868 1.00 0.00 C ATOM 1518 C VAL A 104 0.514 -6.820 0.532 1.00 0.00 C ATOM 1519 O VAL A 104 1.027 -6.307 1.523 1.00 0.00 O ATOM 1520 CB VAL A 104 2.173 -7.070 -1.326 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.193 -8.518 -0.851 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.311 -7.001 -2.837 1.00 0.00 C ATOM 0 H VAL A 104 1.934 -4.573 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 104 0.081 -6.592 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 104 3.024 -6.560 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.110 -8.999 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.150 -8.544 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.333 -9.047 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.222 -7.515 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.450 -7.480 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.360 -5.958 -3.151 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.375 -7.806 0.604 1.00 0.00 N ATOM 1533 CA GLN A 105 -0.810 -8.353 1.883 1.00 0.00 C ATOM 1534 C GLN A 105 -0.287 -9.775 2.063 1.00 0.00 C ATOM 1535 O GLN A 105 -0.896 -10.734 1.590 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.336 -8.343 1.974 1.00 0.00 C ATOM 1537 CG GLN A 105 -2.953 -6.982 1.691 1.00 0.00 C ATOM 1538 CD GLN A 105 -2.692 -6.507 0.276 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -2.662 -7.302 -0.663 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -2.503 -5.202 0.115 1.00 0.00 N ATOM 0 H GLN A 105 -0.808 -8.242 -0.210 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.404 -7.728 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.739 -9.069 1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.635 -8.668 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.029 -7.032 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.553 -6.252 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.536 -4.579 0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.325 -4.823 -0.815 1.00 0.00 H new ATOM 1549 N THR A 106 0.850 -9.904 2.742 1.00 0.00 N ATOM 1550 CA THR A 106 1.455 -11.212 2.973 1.00 0.00 C ATOM 1551 C THR A 106 0.975 -11.832 4.279 1.00 0.00 C ATOM 1552 O THR A 106 0.475 -11.138 5.164 1.00 0.00 O ATOM 1553 CB THR A 106 2.990 -11.128 3.007 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.406 -10.027 3.822 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.559 -10.969 1.606 1.00 0.00 C ATOM 0 H THR A 106 1.369 -9.122 3.140 1.00 0.00 H new ATOM 0 HA THR A 106 1.144 -11.841 2.139 1.00 0.00 H new ATOM 0 HB THR A 106 3.369 -12.058 3.432 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.642 -9.696 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.646 -10.912 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.270 -11.825 0.997 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.169 -10.056 1.157 1.00 0.00 H new ATOM 1563 N ARG A 107 1.145 -13.145 4.390 1.00 0.00 N ATOM 1564 CA ARG A 107 0.743 -13.876 5.585 1.00 0.00 C ATOM 1565 C ARG A 107 1.667 -15.066 5.821 1.00 0.00 C ATOM 1566 O ARG A 107 2.370 -15.507 4.911 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.704 -14.353 5.456 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.511 -13.580 4.425 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.768 -14.333 4.022 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.973 -14.323 2.577 1.00 0.00 N ATOM 1571 CZ ARG A 107 -4.157 -14.505 2.001 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -5.235 -14.710 2.744 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -4.263 -14.482 0.678 1.00 0.00 N ATOM 0 H ARG A 107 1.561 -13.727 3.663 1.00 0.00 H new ATOM 0 HA ARG A 107 0.817 -13.203 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.707 -15.410 5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.193 -14.268 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.784 -12.606 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.897 -13.397 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.701 -15.363 4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.632 -13.885 4.514 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.163 -14.168 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.158 -14.728 3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.142 -14.849 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.436 -14.325 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.172 -14.622 0.237 1.00 0.00 H new ATOM 1587 N GLY A 108 1.663 -15.582 7.045 1.00 0.00 N ATOM 1588 CA GLY A 108 2.507 -16.717 7.374 1.00 0.00 C ATOM 1589 C GLY A 108 2.893 -16.751 8.839 1.00 0.00 C ATOM 1590 O GLY A 108 2.070 -16.474 9.711 1.00 0.00 O ATOM 0 H GLY A 108 1.091 -15.235 7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.985 -17.639 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.410 -16.682 6.765 1.00 0.00 H new ATOM 1594 N GLY A 109 4.149 -17.094 9.109 1.00 0.00 N ATOM 1595 CA GLY A 109 4.621 -17.159 10.479 1.00 0.00 C ATOM 1596 C GLY A 109 5.606 -16.056 10.808 1.00 0.00 C ATOM 1597 O GLY A 109 5.856 -15.766 11.979 1.00 0.00 O ATOM 0 H GLY A 109 4.847 -17.328 8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.769 -17.095 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.093 -18.126 10.651 1.00 0.00 H new ATOM 1601 N ASN A 110 6.170 -15.439 9.775 1.00 0.00 N ATOM 1602 CA ASN A 110 7.134 -14.361 9.962 1.00 0.00 C ATOM 1603 C ASN A 110 6.443 -13.002 9.918 1.00 0.00 C ATOM 1604 O ASN A 110 6.611 -12.179 10.818 1.00 0.00 O ATOM 1605 CB ASN A 110 8.221 -14.428 8.889 1.00 0.00 C ATOM 1606 CG ASN A 110 9.498 -15.068 9.398 1.00 0.00 C ATOM 1607 OD1 ASN A 110 10.637 -14.564 8.938 1.00 0.00 O flip ATOM 1608 ND2 ASN A 110 9.460 -16.004 10.197 1.00 0.00 N flip ATOM 0 H ASN A 110 5.976 -15.667 8.800 1.00 0.00 H new ATOM 0 HA ASN A 110 7.594 -14.484 10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.850 -14.994 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.439 -13.421 8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.562 -16.359 10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.327 -16.424 10.532 1.00 0.00 H new ATOM 1615 N SER A 111 5.663 -12.775 8.866 1.00 0.00 N ATOM 1616 CA SER A 111 4.943 -11.519 8.705 1.00 0.00 C ATOM 1617 C SER A 111 3.445 -11.723 8.905 1.00 0.00 C ATOM 1618 O SER A 111 2.646 -11.433 8.015 1.00 0.00 O ATOM 1619 CB SER A 111 5.207 -10.930 7.317 1.00 0.00 C ATOM 1620 OG SER A 111 6.525 -10.419 7.222 1.00 0.00 O ATOM 0 H SER A 111 5.514 -13.446 8.112 1.00 0.00 H new ATOM 0 HA SER A 111 5.302 -10.823 9.463 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.056 -11.698 6.558 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.490 -10.135 7.114 1.00 0.00 H new ATOM 0 HG SER A 111 6.966 -10.797 6.433 1.00 0.00 H new ATOM 1626 N ASN A 112 3.074 -12.229 10.078 1.00 0.00 N ATOM 1627 CA ASN A 112 1.672 -12.475 10.398 1.00 0.00 C ATOM 1628 C ASN A 112 0.780 -11.410 9.772 1.00 0.00 C ATOM 1629 O ASN A 112 0.543 -10.358 10.365 1.00 0.00 O ATOM 1630 CB ASN A 112 1.469 -12.499 11.914 1.00 0.00 C ATOM 1631 CG ASN A 112 2.570 -13.251 12.634 1.00 0.00 C ATOM 1632 OD1 ASN A 112 3.014 -14.307 12.183 1.00 0.00 O ATOM 1633 ND2 ASN A 112 3.016 -12.711 13.762 1.00 0.00 N ATOM 0 H ASN A 112 3.726 -12.477 10.823 1.00 0.00 H new ATOM 0 HA ASN A 112 1.395 -13.446 9.987 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.427 -11.476 12.288 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.508 -12.961 12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.755 -13.173 14.291 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.619 -11.834 14.099 1.00 0.00 H new ATOM 1640 N GLY A 113 0.292 -11.687 8.568 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.561 -10.737 7.882 1.00 0.00 C ATOM 1642 C GLY A 113 0.060 -9.357 7.820 1.00 0.00 C ATOM 1643 O GLY A 113 -0.517 -8.386 8.308 1.00 0.00 O ATOM 0 H GLY A 113 0.472 -12.551 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.758 -11.092 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.522 -10.679 8.392 1.00 0.00 H new ATOM 1647 N ALA A 114 1.245 -9.269 7.221 1.00 0.00 N ATOM 1648 CA ALA A 114 1.946 -7.997 7.105 1.00 0.00 C ATOM 1649 C ALA A 114 1.932 -7.489 5.672 1.00 0.00 C ATOM 1650 O ALA A 114 2.500 -8.111 4.775 1.00 0.00 O ATOM 1651 CB ALA A 114 3.376 -8.133 7.606 1.00 0.00 C ATOM 0 H ALA A 114 1.737 -10.062 6.810 1.00 0.00 H new ATOM 0 HA ALA A 114 1.424 -7.268 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.887 -7.175 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.367 -8.440 8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.900 -8.882 7.013 1.00 0.00 H new ATOM 1657 N LEU A 115 1.281 -6.353 5.463 1.00 0.00 N ATOM 1658 CA LEU A 115 1.196 -5.760 4.137 1.00 0.00 C ATOM 1659 C LEU A 115 2.579 -5.656 3.503 1.00 0.00 C ATOM 1660 O LEU A 115 3.245 -4.625 3.615 1.00 0.00 O ATOM 1661 CB LEU A 115 0.549 -4.375 4.215 1.00 0.00 C ATOM 1662 CG LEU A 115 0.706 -3.516 2.959 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.241 -3.989 1.868 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.461 -2.050 3.283 1.00 0.00 C ATOM 0 H LEU A 115 0.805 -5.825 6.194 1.00 0.00 H new ATOM 0 HA LEU A 115 0.577 -6.405 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.514 -4.498 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.978 -3.837 5.061 1.00 0.00 H new ATOM 0 HG LEU A 115 1.728 -3.621 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.115 -3.366 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.018 -5.026 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.269 -3.914 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.577 -1.453 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.550 -1.927 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.180 -1.718 4.031 1.00 0.00 H new ATOM 1676 N CYS A 116 3.013 -6.727 2.843 1.00 0.00 N ATOM 1677 CA CYS A 116 4.323 -6.742 2.203 1.00 0.00 C ATOM 1678 C CYS A 116 4.606 -5.405 1.530 1.00 0.00 C ATOM 1679 O CYS A 116 3.735 -4.828 0.875 1.00 0.00 O ATOM 1680 CB CYS A 116 4.414 -7.877 1.179 1.00 0.00 C ATOM 1681 SG CYS A 116 6.064 -8.647 1.067 1.00 0.00 S ATOM 0 H CYS A 116 2.480 -7.590 2.738 1.00 0.00 H new ATOM 0 HA CYS A 116 5.074 -6.911 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.683 -8.644 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.138 -7.490 0.198 1.00 0.00 H new ATOM 1686 N HIS A 117 5.828 -4.919 1.702 1.00 0.00 N ATOM 1687 CA HIS A 117 6.236 -3.646 1.123 1.00 0.00 C ATOM 1688 C HIS A 117 7.110 -3.861 -0.109 1.00 0.00 C ATOM 1689 O HIS A 117 8.177 -4.467 -0.027 1.00 0.00 O ATOM 1690 CB HIS A 117 6.988 -2.809 2.163 1.00 0.00 C ATOM 1691 CG HIS A 117 7.892 -1.771 1.572 1.00 0.00 C ATOM 1692 ND1 HIS A 117 7.680 -1.202 0.334 1.00 0.00 N ATOM 1693 CD2 HIS A 117 9.021 -1.200 2.056 1.00 0.00 C ATOM 1694 CE1 HIS A 117 8.638 -0.328 0.083 1.00 0.00 C ATOM 1695 NE2 HIS A 117 9.463 -0.307 1.112 1.00 0.00 N ATOM 0 H HIS A 117 6.556 -5.389 2.240 1.00 0.00 H new ATOM 0 HA HIS A 117 5.339 -3.109 0.815 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.263 -2.318 2.812 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.579 -3.475 2.792 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.487 -1.409 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 117 8.730 0.268 -0.813 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.295 0.278 1.193 1.00 0.00 H new ATOM 1704 N PHE A 118 6.647 -3.357 -1.246 1.00 0.00 N ATOM 1705 CA PHE A 118 7.381 -3.488 -2.496 1.00 0.00 C ATOM 1706 C PHE A 118 7.797 -2.117 -3.021 1.00 0.00 C ATOM 1707 O PHE A 118 7.017 -1.165 -2.985 1.00 0.00 O ATOM 1708 CB PHE A 118 6.526 -4.207 -3.540 1.00 0.00 C ATOM 1709 CG PHE A 118 6.437 -5.693 -3.331 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.400 -6.539 -3.857 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.385 -6.244 -2.615 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.318 -7.904 -3.671 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.296 -7.612 -2.430 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.265 -8.441 -2.960 1.00 0.00 C ATOM 0 H PHE A 118 5.764 -2.853 -1.327 1.00 0.00 H new ATOM 0 HA PHE A 118 8.279 -4.076 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.521 -3.786 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.938 -4.013 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.224 -6.125 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.627 -5.598 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.078 -8.552 -4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.471 -8.031 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.198 -9.510 -2.818 1.00 0.00 H new ATOM 1724 N PRO A 119 9.039 -1.997 -3.513 1.00 0.00 N ATOM 1725 CA PRO A 119 9.991 -3.109 -3.569 1.00 0.00 C ATOM 1726 C PRO A 119 10.529 -3.485 -2.192 1.00 0.00 C ATOM 1727 O PRO A 119 10.255 -2.810 -1.199 1.00 0.00 O ATOM 1728 CB PRO A 119 11.136 -2.581 -4.455 1.00 0.00 C ATOM 1729 CG PRO A 119 10.611 -1.310 -5.044 1.00 0.00 C ATOM 1730 CD PRO A 119 9.617 -0.772 -4.060 1.00 0.00 C ATOM 0 HA PRO A 119 9.520 -4.013 -3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.038 -2.402 -3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.397 -3.299 -5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.418 -0.596 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.142 -1.494 -6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.093 -0.166 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.866 -0.145 -4.540 1.00 0.00 H new ATOM 1738 N PHE A 120 11.301 -4.565 -2.145 1.00 0.00 N ATOM 1739 CA PHE A 120 11.891 -5.039 -0.898 1.00 0.00 C ATOM 1740 C PHE A 120 13.216 -5.741 -1.171 1.00 0.00 C ATOM 1741 O PHE A 120 13.333 -6.512 -2.125 1.00 0.00 O ATOM 1742 CB PHE A 120 10.933 -5.994 -0.184 1.00 0.00 C ATOM 1743 CG PHE A 120 10.936 -7.383 -0.754 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.225 -7.674 -1.906 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.652 -8.397 -0.138 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.227 -8.950 -2.434 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.658 -9.676 -0.661 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.944 -9.954 -1.811 1.00 0.00 C ATOM 0 H PHE A 120 11.534 -5.132 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 120 12.074 -4.178 -0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.201 -6.042 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 120 9.922 -5.590 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.662 -6.894 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.212 -8.185 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.668 -9.163 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.220 -10.458 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.946 -10.953 -2.222 1.00 0.00 H new ATOM 1758 N LEU A 121 14.217 -5.470 -0.340 1.00 0.00 N ATOM 1759 CA LEU A 121 15.530 -6.080 -0.515 1.00 0.00 C ATOM 1760 C LEU A 121 15.558 -7.508 0.021 1.00 0.00 C ATOM 1761 O LEU A 121 15.259 -7.752 1.190 1.00 0.00 O ATOM 1762 CB LEU A 121 16.615 -5.249 0.176 1.00 0.00 C ATOM 1763 CG LEU A 121 17.914 -6.010 0.468 1.00 0.00 C ATOM 1764 CD1 LEU A 121 17.750 -6.893 1.696 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.318 -6.837 -0.735 1.00 0.00 C ATOM 0 H LEU A 121 14.145 -4.836 0.456 1.00 0.00 H new ATOM 0 HA LEU A 121 15.731 -6.109 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.847 -4.387 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.216 -4.864 1.115 1.00 0.00 H new ATOM 0 HG LEU A 121 18.704 -5.287 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 121 18.681 -7.425 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.501 -6.274 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.950 -7.613 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.242 -7.372 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.529 -7.553 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.474 -6.181 -1.592 1.00 0.00 H new ATOM 1777 N TYR A 122 15.937 -8.443 -0.845 1.00 0.00 N ATOM 1778 CA TYR A 122 16.030 -9.852 -0.469 1.00 0.00 C ATOM 1779 C TYR A 122 17.491 -10.239 -0.273 1.00 0.00 C ATOM 1780 O TYR A 122 18.269 -10.249 -1.226 1.00 0.00 O ATOM 1781 CB TYR A 122 15.392 -10.734 -1.545 1.00 0.00 C ATOM 1782 CG TYR A 122 15.659 -12.212 -1.359 1.00 0.00 C ATOM 1783 CD1 TYR A 122 15.616 -12.792 -0.098 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.951 -13.027 -2.446 1.00 0.00 C ATOM 1785 CE1 TYR A 122 15.857 -14.141 0.076 1.00 0.00 C ATOM 1786 CE2 TYR A 122 16.192 -14.377 -2.280 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.144 -14.929 -1.018 1.00 0.00 C ATOM 1788 OH TYR A 122 16.384 -16.274 -0.849 1.00 0.00 O ATOM 0 H TYR A 122 16.186 -8.251 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 122 15.492 -10.003 0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.315 -10.566 -1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.765 -10.427 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 122 15.390 -12.178 0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 122 15.990 -12.598 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 122 15.821 -14.576 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 122 16.417 -14.997 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 122 15.617 -16.787 -1.179 1.00 0.00 H new ATOM 1798 N ASN A 123 17.869 -10.527 0.970 1.00 0.00 N ATOM 1799 CA ASN A 123 19.252 -10.877 1.274 1.00 0.00 C ATOM 1800 C ASN A 123 20.131 -9.656 1.052 1.00 0.00 C ATOM 1801 O ASN A 123 20.676 -9.078 1.993 1.00 0.00 O ATOM 1802 CB ASN A 123 19.722 -12.036 0.392 1.00 0.00 C ATOM 1803 CG ASN A 123 19.780 -13.349 1.146 1.00 0.00 C ATOM 1804 OD1 ASN A 123 19.200 -13.487 2.223 1.00 0.00 O ATOM 1805 ND2 ASN A 123 20.484 -14.325 0.582 1.00 0.00 N ATOM 0 H ASN A 123 17.243 -10.525 1.775 1.00 0.00 H new ATOM 0 HA ASN A 123 19.322 -11.196 2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.048 -12.138 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.709 -11.807 -0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 123 20.559 -15.232 1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 123 20.949 -14.167 -0.312 1.00 0.00 H new ATOM 1812 N ASN A 124 20.230 -9.256 -0.207 1.00 0.00 N ATOM 1813 CA ASN A 124 20.998 -8.085 -0.594 1.00 0.00 C ATOM 1814 C ASN A 124 20.794 -7.774 -2.075 1.00 0.00 C ATOM 1815 O ASN A 124 21.649 -7.165 -2.718 1.00 0.00 O ATOM 1816 CB ASN A 124 22.483 -8.274 -0.289 1.00 0.00 C ATOM 1817 CG ASN A 124 23.013 -9.606 -0.786 1.00 0.00 C ATOM 1818 OD1 ASN A 124 23.038 -9.867 -1.989 1.00 0.00 O ATOM 1819 ND2 ASN A 124 23.439 -10.455 0.142 1.00 0.00 N ATOM 0 H ASN A 124 19.780 -9.734 -0.987 1.00 0.00 H new ATOM 0 HA ASN A 124 20.637 -7.240 -0.008 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.051 -7.466 -0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 124 22.642 -8.202 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 124 23.806 -11.367 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 124 23.399 -10.195 1.128 1.00 0.00 H new ATOM 1826 N HIS A 125 19.641 -8.179 -2.598 1.00 0.00 N ATOM 1827 CA HIS A 125 19.291 -7.934 -3.986 1.00 0.00 C ATOM 1828 C HIS A 125 17.948 -7.215 -4.054 1.00 0.00 C ATOM 1829 O HIS A 125 16.892 -7.842 -3.964 1.00 0.00 O ATOM 1830 CB HIS A 125 19.226 -9.250 -4.764 1.00 0.00 C ATOM 1831 CG HIS A 125 19.580 -9.108 -6.212 1.00 0.00 C ATOM 1832 ND1 HIS A 125 20.660 -9.742 -6.788 1.00 0.00 N ATOM 1833 CD2 HIS A 125 18.990 -8.399 -7.203 1.00 0.00 C ATOM 1834 CE1 HIS A 125 20.720 -9.429 -8.071 1.00 0.00 C ATOM 1835 NE2 HIS A 125 19.718 -8.616 -8.347 1.00 0.00 N ATOM 0 H HIS A 125 18.928 -8.684 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 125 20.059 -7.307 -4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 125 19.902 -9.969 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.220 -9.661 -4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.111 -7.779 -7.111 1.00 0.00 H new ATOM 0 HE1 HIS A 125 21.462 -9.779 -8.773 1.00 0.00 H new ATOM 0 HE2 HIS A 125 19.517 -8.214 -9.262 1.00 0.00 H new ATOM 1844 N ASN A 126 17.997 -5.896 -4.193 1.00 0.00 N ATOM 1845 CA ASN A 126 16.784 -5.090 -4.257 1.00 0.00 C ATOM 1846 C ASN A 126 15.719 -5.776 -5.107 1.00 0.00 C ATOM 1847 O ASN A 126 15.707 -5.643 -6.331 1.00 0.00 O ATOM 1848 CB ASN A 126 17.098 -3.706 -4.826 1.00 0.00 C ATOM 1849 CG ASN A 126 17.184 -2.642 -3.749 1.00 0.00 C ATOM 1850 OD1 ASN A 126 16.409 -1.686 -3.746 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.131 -2.806 -2.828 1.00 0.00 N ATOM 0 H ASN A 126 18.863 -5.362 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 126 16.396 -4.979 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.042 -3.746 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.327 -3.429 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 126 18.237 -2.122 -2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 126 18.750 -3.615 -2.872 1.00 0.00 H new ATOM 1857 N TYR A 127 14.827 -6.512 -4.451 1.00 0.00 N ATOM 1858 CA TYR A 127 13.757 -7.220 -5.147 1.00 0.00 C ATOM 1859 C TYR A 127 12.517 -6.342 -5.275 1.00 0.00 C ATOM 1860 O TYR A 127 12.485 -5.219 -4.770 1.00 0.00 O ATOM 1861 CB TYR A 127 13.406 -8.512 -4.406 1.00 0.00 C ATOM 1862 CG TYR A 127 13.917 -9.762 -5.086 1.00 0.00 C ATOM 1863 CD1 TYR A 127 15.214 -10.211 -4.872 1.00 0.00 C ATOM 1864 CD2 TYR A 127 13.103 -10.492 -5.943 1.00 0.00 C ATOM 1865 CE1 TYR A 127 15.686 -11.353 -5.491 1.00 0.00 C ATOM 1866 CE2 TYR A 127 13.567 -11.635 -6.567 1.00 0.00 C ATOM 1867 CZ TYR A 127 14.858 -12.061 -6.338 1.00 0.00 C ATOM 1868 OH TYR A 127 15.323 -13.198 -6.956 1.00 0.00 O ATOM 0 H TYR A 127 14.824 -6.634 -3.438 1.00 0.00 H new ATOM 0 HA TYR A 127 14.110 -7.467 -6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.816 -8.465 -3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.323 -8.580 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 127 15.865 -9.658 -4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.091 -10.161 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.697 -11.689 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 127 12.921 -12.191 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 127 14.615 -13.578 -7.518 1.00 0.00 H new ATOM 1878 N THR A 128 11.496 -6.859 -5.952 1.00 0.00 N ATOM 1879 CA THR A 128 10.255 -6.116 -6.142 1.00 0.00 C ATOM 1880 C THR A 128 9.144 -7.018 -6.665 1.00 0.00 C ATOM 1881 O THR A 128 8.461 -6.681 -7.634 1.00 0.00 O ATOM 1882 CB THR A 128 10.446 -4.939 -7.115 1.00 0.00 C ATOM 1883 OG1 THR A 128 11.764 -4.394 -6.974 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.412 -3.852 -6.862 1.00 0.00 C ATOM 0 H THR A 128 11.503 -7.786 -6.377 1.00 0.00 H new ATOM 0 HA THR A 128 9.971 -5.727 -5.164 1.00 0.00 H new ATOM 0 HB THR A 128 10.315 -5.313 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.753 -3.445 -7.218 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.568 -3.031 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.412 -4.262 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.514 -3.483 -5.842 1.00 0.00 H new ATOM 1892 N ASP A 129 8.962 -8.157 -6.013 1.00 0.00 N ATOM 1893 CA ASP A 129 7.926 -9.105 -6.402 1.00 0.00 C ATOM 1894 C ASP A 129 8.032 -10.391 -5.596 1.00 0.00 C ATOM 1895 O ASP A 129 9.126 -10.821 -5.233 1.00 0.00 O ATOM 1896 CB ASP A 129 8.018 -9.414 -7.898 1.00 0.00 C ATOM 1897 CG ASP A 129 9.415 -9.202 -8.447 1.00 0.00 C ATOM 1898 OD1 ASP A 129 10.383 -9.297 -7.663 1.00 0.00 O ATOM 1899 OD2 ASP A 129 9.542 -8.940 -9.662 1.00 0.00 O ATOM 0 H ASP A 129 9.519 -8.448 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 129 6.958 -8.649 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.715 -10.446 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.317 -8.780 -8.441 1.00 0.00 H new ATOM 1904 N CYS A 130 6.883 -10.994 -5.315 1.00 0.00 N ATOM 1905 CA CYS A 130 6.833 -12.228 -4.545 1.00 0.00 C ATOM 1906 C CYS A 130 7.908 -13.206 -5.008 1.00 0.00 C ATOM 1907 O CYS A 130 7.669 -14.039 -5.882 1.00 0.00 O ATOM 1908 CB CYS A 130 5.453 -12.874 -4.672 1.00 0.00 C ATOM 1909 SG CYS A 130 4.795 -13.535 -3.108 1.00 0.00 S ATOM 0 H CYS A 130 5.971 -10.646 -5.611 1.00 0.00 H new ATOM 0 HA CYS A 130 7.020 -11.982 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 130 4.753 -12.137 -5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.508 -13.682 -5.401 1.00 0.00 H new ATOM 1914 N THR A 131 9.091 -13.100 -4.416 1.00 0.00 N ATOM 1915 CA THR A 131 10.202 -13.976 -4.766 1.00 0.00 C ATOM 1916 C THR A 131 10.150 -15.274 -3.968 1.00 0.00 C ATOM 1917 O THR A 131 9.842 -15.269 -2.775 1.00 0.00 O ATOM 1918 CB THR A 131 11.559 -13.289 -4.522 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.599 -14.000 -5.205 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.874 -13.225 -3.037 1.00 0.00 C ATOM 0 H THR A 131 9.306 -12.416 -3.691 1.00 0.00 H new ATOM 0 HA THR A 131 10.105 -14.201 -5.828 1.00 0.00 H new ATOM 0 HB THR A 131 11.500 -12.272 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.283 -13.367 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.837 -12.736 -2.890 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.097 -12.658 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.914 -14.235 -2.630 1.00 0.00 H new ATOM 1928 N SER A 132 10.454 -16.383 -4.632 1.00 0.00 N ATOM 1929 CA SER A 132 10.441 -17.690 -3.983 1.00 0.00 C ATOM 1930 C SER A 132 11.847 -18.278 -3.917 1.00 0.00 C ATOM 1931 O SER A 132 12.022 -19.461 -3.627 1.00 0.00 O ATOM 1932 CB SER A 132 9.511 -18.646 -4.734 1.00 0.00 C ATOM 1933 OG SER A 132 8.838 -17.981 -5.788 1.00 0.00 O ATOM 0 H SER A 132 10.712 -16.404 -5.619 1.00 0.00 H new ATOM 0 HA SER A 132 10.073 -17.559 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.088 -19.479 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.782 -19.068 -4.042 1.00 0.00 H new ATOM 0 HG SER A 132 7.883 -18.199 -5.756 1.00 0.00 H new ATOM 1939 N GLU A 133 12.844 -17.442 -4.186 1.00 0.00 N ATOM 1940 CA GLU A 133 14.236 -17.879 -4.156 1.00 0.00 C ATOM 1941 C GLU A 133 14.517 -18.714 -2.911 1.00 0.00 C ATOM 1942 O GLU A 133 14.115 -18.352 -1.806 1.00 0.00 O ATOM 1943 CB GLU A 133 15.173 -16.671 -4.198 1.00 0.00 C ATOM 1944 CG GLU A 133 15.413 -16.135 -5.599 1.00 0.00 C ATOM 1945 CD GLU A 133 16.683 -16.680 -6.222 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.232 -17.666 -5.686 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.131 -16.120 -7.245 1.00 0.00 O ATOM 0 H GLU A 133 12.715 -16.459 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 133 14.416 -18.499 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.755 -15.876 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 133 16.130 -16.948 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 133 14.563 -16.391 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.468 -15.047 -5.563 1.00 0.00 H new ATOM 1954 N GLY A 134 15.210 -19.832 -3.099 1.00 0.00 N ATOM 1955 CA GLY A 134 15.533 -20.700 -1.982 1.00 0.00 C ATOM 1956 C GLY A 134 14.473 -21.757 -1.744 1.00 0.00 C ATOM 1957 O GLY A 134 14.685 -22.697 -0.978 1.00 0.00 O ATOM 0 H GLY A 134 15.554 -20.152 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 134 16.491 -21.186 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.651 -20.099 -1.081 1.00 0.00 H new ATOM 1961 N ARG A 135 13.328 -21.604 -2.401 1.00 0.00 N ATOM 1962 CA ARG A 135 12.231 -22.553 -2.258 1.00 0.00 C ATOM 1963 C ARG A 135 11.954 -23.269 -3.575 1.00 0.00 C ATOM 1964 O ARG A 135 11.484 -22.660 -4.537 1.00 0.00 O ATOM 1965 CB ARG A 135 10.967 -21.835 -1.779 1.00 0.00 C ATOM 1966 CG ARG A 135 11.056 -21.341 -0.344 1.00 0.00 C ATOM 1967 CD ARG A 135 9.680 -21.244 0.297 1.00 0.00 C ATOM 1968 NE ARG A 135 8.986 -22.528 0.302 1.00 0.00 N ATOM 1969 CZ ARG A 135 9.129 -23.438 1.261 1.00 0.00 C ATOM 1970 NH1 ARG A 135 9.938 -23.203 2.284 1.00 0.00 N ATOM 1971 NH2 ARG A 135 8.464 -24.583 1.195 1.00 0.00 N ATOM 0 H ARG A 135 13.136 -20.831 -3.038 1.00 0.00 H new ATOM 0 HA ARG A 135 12.522 -23.297 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 135 10.770 -20.987 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 135 10.118 -22.512 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 135 11.683 -22.018 0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 135 11.538 -20.364 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.782 -20.883 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.080 -20.510 -0.242 1.00 0.00 H new ATOM 0 HE ARG A 135 8.357 -22.739 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 135 10.452 -22.323 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 135 10.047 -23.902 3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.842 -24.767 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 135 8.575 -25.280 1.931 1.00 0.00 H new ATOM 1985 N ARG A 136 12.248 -24.564 -3.613 1.00 0.00 N ATOM 1986 CA ARG A 136 12.031 -25.363 -4.813 1.00 0.00 C ATOM 1987 C ARG A 136 10.598 -25.881 -4.871 1.00 0.00 C ATOM 1988 O ARG A 136 10.276 -26.760 -5.671 1.00 0.00 O ATOM 1989 CB ARG A 136 13.012 -26.536 -4.855 1.00 0.00 C ATOM 1990 CG ARG A 136 12.910 -27.457 -3.651 1.00 0.00 C ATOM 1991 CD ARG A 136 14.238 -28.135 -3.354 1.00 0.00 C ATOM 1992 NE ARG A 136 15.016 -28.367 -4.567 1.00 0.00 N ATOM 1993 CZ ARG A 136 16.337 -28.515 -4.577 1.00 0.00 C ATOM 1994 NH1 ARG A 136 17.022 -28.455 -3.442 1.00 0.00 N ATOM 1995 NH2 ARG A 136 16.975 -28.723 -5.720 1.00 0.00 N ATOM 0 H ARG A 136 12.637 -25.083 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 136 12.202 -24.724 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.834 -27.115 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 136 14.028 -26.147 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 136 12.590 -26.885 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 136 12.147 -28.214 -3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.815 -27.517 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 136 14.056 -29.086 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 136 14.519 -28.418 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 136 16.535 -28.295 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 136 18.036 -28.569 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 136 16.452 -28.770 -6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 136 17.989 -28.836 -5.725 1.00 0.00 H new ATOM 2009 N ASP A 137 9.740 -25.331 -4.017 1.00 0.00 N ATOM 2010 CA ASP A 137 8.341 -25.738 -3.970 1.00 0.00 C ATOM 2011 C ASP A 137 7.426 -24.591 -4.386 1.00 0.00 C ATOM 2012 O ASP A 137 7.610 -23.451 -3.958 1.00 0.00 O ATOM 2013 CB ASP A 137 7.973 -26.215 -2.564 1.00 0.00 C ATOM 2014 CG ASP A 137 8.887 -25.640 -1.500 1.00 0.00 C ATOM 2015 OD1 ASP A 137 9.294 -24.467 -1.636 1.00 0.00 O ATOM 2016 OD2 ASP A 137 9.199 -26.364 -0.531 1.00 0.00 O ATOM 0 H ASP A 137 9.990 -24.602 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 137 8.205 -26.561 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.943 -25.932 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 137 8.019 -27.303 -2.529 1.00 0.00 H new ATOM 2021 N ASN A 138 6.441 -24.899 -5.222 1.00 0.00 N ATOM 2022 CA ASN A 138 5.497 -23.893 -5.697 1.00 0.00 C ATOM 2023 C ASN A 138 5.087 -22.957 -4.565 1.00 0.00 C ATOM 2024 O ASN A 138 4.123 -23.221 -3.846 1.00 0.00 O ATOM 2025 CB ASN A 138 4.260 -24.566 -6.293 1.00 0.00 C ATOM 2026 CG ASN A 138 4.032 -24.180 -7.741 1.00 0.00 C ATOM 2027 OD1 ASN A 138 4.555 -23.174 -8.216 1.00 0.00 O ATOM 2028 ND2 ASN A 138 3.247 -24.983 -8.451 1.00 0.00 N ATOM 0 H ASN A 138 6.275 -25.838 -5.585 1.00 0.00 H new ATOM 0 HA ASN A 138 5.989 -23.304 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.369 -25.648 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 138 3.383 -24.294 -5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.058 -24.775 -9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.834 -25.808 -8.016 1.00 0.00 H new ATOM 2035 N MET A 139 5.824 -21.862 -4.413 1.00 0.00 N ATOM 2036 CA MET A 139 5.536 -20.885 -3.369 1.00 0.00 C ATOM 2037 C MET A 139 5.692 -19.462 -3.896 1.00 0.00 C ATOM 2038 O MET A 139 5.861 -19.250 -5.096 1.00 0.00 O ATOM 2039 CB MET A 139 6.463 -21.102 -2.171 1.00 0.00 C ATOM 2040 CG MET A 139 5.815 -20.774 -0.835 1.00 0.00 C ATOM 2041 SD MET A 139 5.417 -22.249 0.125 1.00 0.00 S ATOM 2042 CE MET A 139 3.682 -22.454 -0.272 1.00 0.00 C ATOM 0 H MET A 139 6.625 -21.629 -4.999 1.00 0.00 H new ATOM 0 HA MET A 139 4.503 -21.023 -3.051 1.00 0.00 H new ATOM 0 HB2 MET A 139 6.793 -22.141 -2.160 1.00 0.00 H new ATOM 0 HB3 MET A 139 7.354 -20.486 -2.295 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.486 -20.139 -0.256 1.00 0.00 H new ATOM 0 HG3 MET A 139 4.904 -20.201 -1.008 1.00 0.00 H new ATOM 0 HE1 MET A 139 3.291 -23.328 0.248 1.00 0.00 H new ATOM 0 HE2 MET A 139 3.130 -21.568 0.042 1.00 0.00 H new ATOM 0 HE3 MET A 139 3.568 -22.591 -1.347 1.00 0.00 H new ATOM 2052 N LYS A 140 5.635 -18.492 -2.990 1.00 0.00 N ATOM 2053 CA LYS A 140 5.770 -17.089 -3.363 1.00 0.00 C ATOM 2054 C LYS A 140 5.717 -16.191 -2.132 1.00 0.00 C ATOM 2055 O LYS A 140 4.649 -15.965 -1.560 1.00 0.00 O ATOM 2056 CB LYS A 140 4.667 -16.693 -4.346 1.00 0.00 C ATOM 2057 CG LYS A 140 5.178 -16.397 -5.747 1.00 0.00 C ATOM 2058 CD LYS A 140 4.034 -16.163 -6.719 1.00 0.00 C ATOM 2059 CE LYS A 140 4.544 -15.770 -8.096 1.00 0.00 C ATOM 2060 NZ LYS A 140 4.430 -14.304 -8.334 1.00 0.00 N ATOM 0 H LYS A 140 5.496 -18.652 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 140 6.740 -16.958 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 140 3.933 -17.497 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 140 4.150 -15.813 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 140 5.822 -15.518 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 140 5.789 -17.229 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 140 3.431 -17.068 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 140 3.383 -15.379 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 140 5.586 -16.074 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.980 -16.306 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 4.788 -14.078 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 3.433 -14.017 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 4.989 -13.792 -7.622 1.00 0.00 H new ATOM 2074 N TRP A 141 6.876 -15.680 -1.727 1.00 0.00 N ATOM 2075 CA TRP A 141 6.960 -14.807 -0.562 1.00 0.00 C ATOM 2076 C TRP A 141 7.798 -13.568 -0.866 1.00 0.00 C ATOM 2077 O TRP A 141 8.579 -13.553 -1.818 1.00 0.00 O ATOM 2078 CB TRP A 141 7.559 -15.563 0.624 1.00 0.00 C ATOM 2079 CG TRP A 141 9.014 -15.879 0.455 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.555 -17.075 0.082 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.114 -14.983 0.650 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.925 -16.979 0.035 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.292 -15.704 0.380 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.217 -13.642 1.028 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.557 -15.128 0.476 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.473 -13.071 1.123 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.627 -13.814 0.847 1.00 0.00 C ATOM 0 H TRP A 141 7.769 -15.856 -2.188 1.00 0.00 H new ATOM 0 HA TRP A 141 5.950 -14.485 -0.308 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.426 -14.969 1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 141 7.008 -16.492 0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.989 -17.967 -0.143 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.564 -17.733 -0.216 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.332 -13.062 1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.449 -15.699 0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.565 -12.035 1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.593 -13.339 0.929 1.00 0.00 H new ATOM 2098 N CYS A 142 7.633 -12.536 -0.046 1.00 0.00 N ATOM 2099 CA CYS A 142 8.376 -11.293 -0.221 1.00 0.00 C ATOM 2100 C CYS A 142 8.760 -10.700 1.130 1.00 0.00 C ATOM 2101 O CYS A 142 8.568 -11.327 2.171 1.00 0.00 O ATOM 2102 CB CYS A 142 7.551 -10.282 -1.019 1.00 0.00 C ATOM 2103 SG CYS A 142 5.856 -10.040 -0.396 1.00 0.00 S ATOM 0 H CYS A 142 6.991 -12.535 0.747 1.00 0.00 H new ATOM 0 HA CYS A 142 9.287 -11.519 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 142 8.068 -9.323 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.501 -10.610 -2.057 1.00 0.00 H new ATOM 2108 N GLY A 143 9.304 -9.489 1.105 1.00 0.00 N ATOM 2109 CA GLY A 143 9.706 -8.833 2.334 1.00 0.00 C ATOM 2110 C GLY A 143 8.627 -7.922 2.884 1.00 0.00 C ATOM 2111 O GLY A 143 8.056 -7.113 2.152 1.00 0.00 O ATOM 0 H GLY A 143 9.474 -8.950 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.955 -9.587 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.610 -8.252 2.153 1.00 0.00 H new ATOM 2115 N THR A 144 8.350 -8.048 4.177 1.00 0.00 N ATOM 2116 CA THR A 144 7.335 -7.224 4.821 1.00 0.00 C ATOM 2117 C THR A 144 7.839 -5.799 5.030 1.00 0.00 C ATOM 2118 O THR A 144 7.118 -4.944 5.544 1.00 0.00 O ATOM 2119 CB THR A 144 6.909 -7.812 6.179 1.00 0.00 C ATOM 2120 OG1 THR A 144 6.308 -6.794 6.987 1.00 0.00 O ATOM 2121 CG2 THR A 144 8.104 -8.407 6.910 1.00 0.00 C ATOM 0 H THR A 144 8.813 -8.711 4.798 1.00 0.00 H new ATOM 0 HA THR A 144 6.471 -7.209 4.157 1.00 0.00 H new ATOM 0 HB THR A 144 6.184 -8.605 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 144 6.011 -6.055 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 144 7.779 -8.816 7.866 1.00 0.00 H new ATOM 0 HG22 THR A 144 8.542 -9.201 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 144 8.849 -7.630 7.082 1.00 0.00 H new ATOM 2129 N THR A 145 9.081 -5.551 4.624 1.00 0.00 N ATOM 2130 CA THR A 145 9.683 -4.232 4.759 1.00 0.00 C ATOM 2131 C THR A 145 10.474 -3.871 3.506 1.00 0.00 C ATOM 2132 O THR A 145 10.465 -4.611 2.522 1.00 0.00 O ATOM 2133 CB THR A 145 10.613 -4.162 5.984 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.820 -4.890 5.726 1.00 0.00 O ATOM 2135 CG2 THR A 145 9.927 -4.730 7.219 1.00 0.00 C ATOM 0 H THR A 145 9.690 -6.250 4.198 1.00 0.00 H new ATOM 0 HA THR A 145 8.871 -3.518 4.895 1.00 0.00 H new ATOM 0 HB THR A 145 10.853 -3.115 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.566 -4.465 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.604 -4.670 8.071 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.025 -4.156 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.660 -5.772 7.040 1.00 0.00 H new ATOM 2143 N GLN A 146 11.154 -2.730 3.544 1.00 0.00 N ATOM 2144 CA GLN A 146 11.945 -2.279 2.403 1.00 0.00 C ATOM 2145 C GLN A 146 13.202 -3.129 2.236 1.00 0.00 C ATOM 2146 O GLN A 146 13.964 -2.946 1.287 1.00 0.00 O ATOM 2147 CB GLN A 146 12.326 -0.807 2.573 1.00 0.00 C ATOM 2148 CG GLN A 146 13.055 -0.512 3.875 1.00 0.00 C ATOM 2149 CD GLN A 146 14.039 0.633 3.746 1.00 0.00 C ATOM 2150 OE1 GLN A 146 15.145 0.581 4.287 1.00 0.00 O ATOM 2151 NE2 GLN A 146 13.643 1.677 3.026 1.00 0.00 N ATOM 0 H GLN A 146 11.174 -2.103 4.348 1.00 0.00 H new ATOM 0 HA GLN A 146 11.337 -2.389 1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.957 -0.505 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.423 -0.199 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 146 12.326 -0.274 4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 146 13.585 -1.407 4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 146 12.718 1.678 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 146 14.264 2.477 2.904 1.00 0.00 H new ATOM 2160 N ASN A 147 13.411 -4.060 3.163 1.00 0.00 N ATOM 2161 CA ASN A 147 14.572 -4.942 3.122 1.00 0.00 C ATOM 2162 C ASN A 147 14.346 -6.168 4.001 1.00 0.00 C ATOM 2163 O ASN A 147 14.718 -6.183 5.175 1.00 0.00 O ATOM 2164 CB ASN A 147 15.825 -4.189 3.571 1.00 0.00 C ATOM 2165 CG ASN A 147 15.941 -2.820 2.929 1.00 0.00 C ATOM 2166 OD1 ASN A 147 16.239 -2.702 1.741 1.00 0.00 O ATOM 2167 ND2 ASN A 147 15.710 -1.776 3.717 1.00 0.00 N ATOM 0 H ASN A 147 12.788 -4.223 3.954 1.00 0.00 H new ATOM 0 HA ASN A 147 14.715 -5.278 2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 147 15.809 -4.078 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.708 -4.779 3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 147 15.777 -0.830 3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 147 15.466 -1.921 4.697 1.00 0.00 H new ATOM 2174 N TYR A 148 13.724 -7.191 3.423 1.00 0.00 N ATOM 2175 CA TYR A 148 13.431 -8.426 4.143 1.00 0.00 C ATOM 2176 C TYR A 148 14.637 -8.892 4.955 1.00 0.00 C ATOM 2177 O TYR A 148 14.625 -8.842 6.185 1.00 0.00 O ATOM 2178 CB TYR A 148 13.000 -9.518 3.159 1.00 0.00 C ATOM 2179 CG TYR A 148 13.247 -10.927 3.652 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.991 -11.277 4.971 1.00 0.00 C ATOM 2181 CD2 TYR A 148 13.737 -11.904 2.796 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.217 -12.564 5.424 1.00 0.00 C ATOM 2183 CE2 TYR A 148 13.965 -13.192 3.240 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.704 -13.517 4.554 1.00 0.00 C ATOM 2185 OH TYR A 148 13.931 -14.799 5.001 1.00 0.00 O ATOM 0 H TYR A 148 13.411 -7.189 2.452 1.00 0.00 H new ATOM 0 HA TYR A 148 12.615 -8.228 4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.938 -9.400 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.532 -9.375 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.609 -10.532 5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 148 13.943 -11.653 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 148 13.013 -12.821 6.453 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.346 -13.941 2.561 1.00 0.00 H new ATOM 0 HH TYR A 148 14.273 -15.347 4.264 1.00 0.00 H new ATOM 2195 N ASP A 149 15.675 -9.347 4.261 1.00 0.00 N ATOM 2196 CA ASP A 149 16.884 -9.825 4.924 1.00 0.00 C ATOM 2197 C ASP A 149 17.364 -8.820 5.965 1.00 0.00 C ATOM 2198 O ASP A 149 18.084 -9.174 6.900 1.00 0.00 O ATOM 2199 CB ASP A 149 17.988 -10.081 3.896 1.00 0.00 C ATOM 2200 CG ASP A 149 19.363 -10.166 4.530 1.00 0.00 C ATOM 2201 OD1 ASP A 149 19.695 -11.233 5.086 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.107 -9.165 4.469 1.00 0.00 O ATOM 0 H ASP A 149 15.704 -9.395 3.243 1.00 0.00 H new ATOM 0 HA ASP A 149 16.647 -10.761 5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 149 17.778 -11.010 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 149 17.982 -9.282 3.155 1.00 0.00 H new ATOM 2207 N ALA A 150 16.959 -7.566 5.799 1.00 0.00 N ATOM 2208 CA ALA A 150 17.344 -6.508 6.721 1.00 0.00 C ATOM 2209 C ALA A 150 16.416 -6.478 7.929 1.00 0.00 C ATOM 2210 O ALA A 150 16.758 -5.926 8.975 1.00 0.00 O ATOM 2211 CB ALA A 150 17.333 -5.168 6.007 1.00 0.00 C ATOM 0 H ALA A 150 16.362 -7.258 5.031 1.00 0.00 H new ATOM 0 HA ALA A 150 18.354 -6.709 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 150 17.622 -4.382 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.037 -5.193 5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.331 -4.966 5.628 1.00 0.00 H new ATOM 2217 N ASP A 151 15.239 -7.077 7.776 1.00 0.00 N ATOM 2218 CA ASP A 151 14.260 -7.122 8.853 1.00 0.00 C ATOM 2219 C ASP A 151 14.041 -8.556 9.326 1.00 0.00 C ATOM 2220 O ASP A 151 13.456 -8.788 10.384 1.00 0.00 O ATOM 2221 CB ASP A 151 12.933 -6.517 8.390 1.00 0.00 C ATOM 2222 CG ASP A 151 12.867 -5.021 8.622 1.00 0.00 C ATOM 2223 OD1 ASP A 151 12.470 -4.608 9.732 1.00 0.00 O ATOM 2224 OD2 ASP A 151 13.214 -4.260 7.694 1.00 0.00 O ATOM 0 H ASP A 151 14.941 -7.538 6.916 1.00 0.00 H new ATOM 0 HA ASP A 151 14.646 -6.537 9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 151 12.793 -6.724 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.112 -7.000 8.920 1.00 0.00 H new ATOM 2229 N GLN A 152 14.517 -9.512 8.536 1.00 0.00 N ATOM 2230 CA GLN A 152 14.376 -10.924 8.873 1.00 0.00 C ATOM 2231 C GLN A 152 12.906 -11.323 8.940 1.00 0.00 C ATOM 2232 O GLN A 152 12.516 -12.159 9.755 1.00 0.00 O ATOM 2233 CB GLN A 152 15.059 -11.221 10.210 1.00 0.00 C ATOM 2234 CG GLN A 152 15.416 -12.687 10.398 1.00 0.00 C ATOM 2235 CD GLN A 152 16.912 -12.929 10.381 1.00 0.00 C ATOM 2236 OE1 GLN A 152 17.594 -12.735 11.388 1.00 0.00 O ATOM 2237 NE2 GLN A 152 17.430 -13.355 9.236 1.00 0.00 N ATOM 0 H GLN A 152 15.004 -9.335 7.657 1.00 0.00 H new ATOM 0 HA GLN A 152 14.857 -11.509 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.966 -10.622 10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.402 -10.909 11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 152 15.005 -13.039 11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 152 14.947 -13.275 9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 152 16.827 -13.502 8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 152 18.431 -13.535 9.165 1.00 0.00 H new ATOM 2246 N LYS A 153 12.094 -10.721 8.077 1.00 0.00 N ATOM 2247 CA LYS A 153 10.666 -11.014 8.041 1.00 0.00 C ATOM 2248 C LYS A 153 10.165 -11.126 6.603 1.00 0.00 C ATOM 2249 O LYS A 153 10.238 -10.168 5.833 1.00 0.00 O ATOM 2250 CB LYS A 153 9.882 -9.930 8.783 1.00 0.00 C ATOM 2251 CG LYS A 153 10.132 -9.917 10.281 1.00 0.00 C ATOM 2252 CD LYS A 153 9.516 -8.693 10.939 1.00 0.00 C ATOM 2253 CE LYS A 153 8.349 -9.071 11.837 1.00 0.00 C ATOM 2254 NZ LYS A 153 8.789 -9.865 13.017 1.00 0.00 N ATOM 0 H LYS A 153 12.400 -10.028 7.394 1.00 0.00 H new ATOM 0 HA LYS A 153 10.507 -11.972 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 153 10.146 -8.956 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.817 -10.075 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 153 9.716 -10.820 10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.205 -9.932 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.274 -8.173 11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 153 9.175 -7.998 10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 153 7.844 -8.166 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 153 7.622 -9.646 11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 8.070 -9.802 13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 8.914 -10.859 12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 9.691 -9.489 13.372 1.00 0.00 H new ATOM 2268 N PHE A 154 9.653 -12.300 6.251 1.00 0.00 N ATOM 2269 CA PHE A 154 9.134 -12.538 4.909 1.00 0.00 C ATOM 2270 C PHE A 154 7.609 -12.549 4.916 1.00 0.00 C ATOM 2271 O PHE A 154 6.985 -12.323 5.952 1.00 0.00 O ATOM 2272 CB PHE A 154 9.664 -13.865 4.361 1.00 0.00 C ATOM 2273 CG PHE A 154 9.389 -15.037 5.258 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.209 -15.755 5.140 1.00 0.00 C ATOM 2275 CD2 PHE A 154 10.311 -15.423 6.218 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.954 -16.835 5.965 1.00 0.00 C ATOM 2277 CE2 PHE A 154 10.061 -16.501 7.045 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.881 -17.209 6.919 1.00 0.00 C ATOM 0 H PHE A 154 9.586 -13.103 6.877 1.00 0.00 H new ATOM 0 HA PHE A 154 9.473 -11.728 4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.215 -14.051 3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.740 -13.781 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.481 -15.468 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 154 11.236 -14.875 6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.031 -17.386 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.788 -16.790 7.790 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.684 -18.052 7.564 1.00 0.00 H new ATOM 2288 N GLY A 155 7.014 -12.809 3.757 1.00 0.00 N ATOM 2289 CA GLY A 155 5.566 -12.839 3.663 1.00 0.00 C ATOM 2290 C GLY A 155 5.075 -13.417 2.350 1.00 0.00 C ATOM 2291 O GLY A 155 5.538 -13.025 1.280 1.00 0.00 O ATOM 0 H GLY A 155 7.506 -12.999 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.165 -13.429 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 155 5.178 -11.827 3.777 1.00 0.00 H new ATOM 2295 N PHE A 156 4.128 -14.347 2.434 1.00 0.00 N ATOM 2296 CA PHE A 156 3.568 -14.976 1.244 1.00 0.00 C ATOM 2297 C PHE A 156 2.453 -14.116 0.659 1.00 0.00 C ATOM 2298 O PHE A 156 1.501 -13.761 1.355 1.00 0.00 O ATOM 2299 CB PHE A 156 3.032 -16.369 1.579 1.00 0.00 C ATOM 2300 CG PHE A 156 4.081 -17.305 2.110 1.00 0.00 C ATOM 2301 CD1 PHE A 156 5.110 -17.746 1.294 1.00 0.00 C ATOM 2302 CD2 PHE A 156 4.037 -17.741 3.424 1.00 0.00 C ATOM 2303 CE1 PHE A 156 6.076 -18.607 1.779 1.00 0.00 C ATOM 2304 CE2 PHE A 156 5.002 -18.601 3.915 1.00 0.00 C ATOM 2305 CZ PHE A 156 6.022 -19.035 3.091 1.00 0.00 C ATOM 0 H PHE A 156 3.733 -14.681 3.313 1.00 0.00 H new ATOM 0 HA PHE A 156 4.361 -15.072 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.234 -16.275 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.589 -16.804 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 156 5.158 -17.413 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 156 3.241 -17.406 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.873 -18.945 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 156 4.958 -18.933 4.942 1.00 0.00 H new ATOM 0 HZ PHE A 156 6.776 -19.708 3.472 1.00 0.00 H new ATOM 2315 N CYS A 157 2.578 -13.778 -0.620 1.00 0.00 N ATOM 2316 CA CYS A 157 1.580 -12.952 -1.291 1.00 0.00 C ATOM 2317 C CYS A 157 0.487 -13.809 -1.918 1.00 0.00 C ATOM 2318 O CYS A 157 0.477 -15.031 -1.772 1.00 0.00 O ATOM 2319 CB CYS A 157 2.240 -12.084 -2.364 1.00 0.00 C ATOM 2320 SG CYS A 157 4.042 -11.901 -2.171 1.00 0.00 S ATOM 0 H CYS A 157 3.359 -14.062 -1.212 1.00 0.00 H new ATOM 0 HA CYS A 157 1.122 -12.307 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 157 2.033 -12.516 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 157 1.782 -11.095 -2.348 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.452 -13.168 -2.631 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.562 -13.865 -3.290 1.00 0.00 C ATOM 2327 C PRO A 158 -1.078 -14.921 -4.277 1.00 0.00 C ATOM 2328 O PRO A 158 0.101 -15.274 -4.295 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.304 -12.745 -4.027 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.911 -11.492 -3.322 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.502 -11.714 -2.848 1.00 0.00 C ATOM 0 HA PRO A 158 -2.183 -14.405 -2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.022 -12.711 -5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.383 -12.896 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.968 -10.633 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.578 -11.289 -2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.229 -11.391 -3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.292 -11.162 -1.932 1.00 0.00 H new