USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 674 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 92 HIS : no HD1:sc= -12.6! C(o=-12!,f=-17!) USER MOD Set 1.2: A 99 ASN :FLIP amide:sc= 0.611 F(o=-14!,f=-12) USER MOD Set 2.1: A 91 THR OG1 : rot -179:sc= -0.911 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 81 ASN : amide:sc= -11.8! C(o=-21!,f=-25!) USER MOD Set 3.2: A 83 ASN :FLIP amide:sc= -7.96! C(o=-31!,f=-21!) USER MOD Set 3.3: A 85 GLN : amide:sc= -0.939! K(o=-21!,f=-23) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -12.3! C(o=-14!,f=-20!) USER MOD Set 4.2: A 57 TYR OH : rot -117:sc= -1.76! USER MOD Set 5.1: A 6 CYS SG : rot -31:sc= -21! USER MOD Set 5.2: A 9 ASN : amide:sc= -22.6! C(o=-90!,f=-92!) USER MOD Set 5.3: A 11 TYR OH : rot -174:sc= -7.87! USER MOD Set 5.4: A 63 SER OG : rot -68:sc= 0.0926 USER MOD Set 5.5: A 103 CYS SG : rot 169:sc= -38.7! USER MOD Set 6.1: A 2 CYS SG : rot 2:sc= 0.687 USER MOD Set 6.2: A 5 THR OG1 : rot -89:sc= 1.05 USER MOD Set 6.3: A 10 CYS SG : rot -100:sc= -7.23! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 61:sc= 1.15 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -15.8! C(o=-16!,f=-20!) USER MOD Single : A 24 TYR OH : rot 45:sc= 0.726! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.59! C(o=-5.6!,f=-6!) USER MOD Single : A 37 SER OG : rot 60:sc= 1.23 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.97! C(o=-7!,f=-8.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 45:sc= -4.34! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0913 F(o=-1.1,f=-0.091) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -18:sc= 0.718 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -131:sc= -11.9! USER MOD Single : A 69 SER OG : rot 57:sc= 0.244 USER MOD Single : A 72 SER OG : rot 52:sc= 0.131 USER MOD Single : A 84 ASN :FLIP amide:sc= -6.65! C(o=-13!,f=-6.7!) USER MOD Single : A 96 SER OG : rot -34:sc= 0.0458 USER MOD Single : A 98 ASN :FLIP amide:sc= -3.22! C(o=-7.9!,f=-3.2!) USER MOD Single : A 104 THR OG1 : rot -77:sc= 0.845 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.731 -14.140 -5.164 1.00 0.00 N ATOM 12 CA CYS A 2 -5.335 -13.750 -5.057 1.00 0.00 C ATOM 13 C CYS A 2 -4.848 -13.321 -6.441 1.00 0.00 C ATOM 14 O CYS A 2 -4.893 -14.104 -7.389 1.00 0.00 O ATOM 15 CB CYS A 2 -4.477 -14.874 -4.473 1.00 0.00 C ATOM 16 SG CYS A 2 -5.364 -16.450 -4.191 1.00 0.00 S ATOM 0 HA CYS A 2 -5.241 -12.913 -4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.640 -15.060 -5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.056 -14.536 -3.526 1.00 0.00 H new ATOM 0 HG CYS A 2 -6.594 -16.334 -4.596 1.00 0.00 H new ATOM 21 N ASP A 3 -4.393 -12.078 -6.515 1.00 0.00 N ATOM 22 CA ASP A 3 -3.899 -11.536 -7.769 1.00 0.00 C ATOM 23 C ASP A 3 -2.622 -10.736 -7.504 1.00 0.00 C ATOM 24 O ASP A 3 -1.996 -10.234 -8.436 1.00 0.00 O ATOM 25 CB ASP A 3 -4.923 -10.592 -8.403 1.00 0.00 C ATOM 26 CG ASP A 3 -5.833 -11.237 -9.451 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.645 -12.096 -9.047 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.695 -10.855 -10.634 1.00 0.00 O ATOM 0 H ASP A 3 -4.356 -11.432 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.709 -12.369 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.545 -10.171 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.391 -9.761 -8.867 1.00 0.00 H new ATOM 33 N TYR A 4 -2.273 -10.644 -6.230 1.00 0.00 N ATOM 34 CA TYR A 4 -1.081 -9.914 -5.831 1.00 0.00 C ATOM 35 C TYR A 4 -0.302 -10.679 -4.761 1.00 0.00 C ATOM 36 O TYR A 4 -0.558 -10.520 -3.568 1.00 0.00 O ATOM 37 CB TYR A 4 -1.574 -8.592 -5.239 1.00 0.00 C ATOM 38 CG TYR A 4 -2.319 -7.702 -6.236 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.621 -7.045 -7.229 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.687 -7.556 -6.143 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.320 -6.207 -8.168 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.388 -6.718 -7.082 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.670 -6.085 -8.048 1.00 0.00 C ATOM 44 OH TYR A 4 -4.332 -5.294 -8.934 1.00 0.00 O ATOM 0 H TYR A 4 -2.794 -11.063 -5.460 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.417 -9.769 -6.683 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.232 -8.806 -4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.720 -8.042 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.550 -7.160 -7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.233 -8.070 -5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.785 -5.687 -8.949 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.459 -6.595 -7.020 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.290 -5.302 -8.728 1.00 0.00 H new ATOM 54 N THR A 5 0.634 -11.495 -5.224 1.00 0.00 N ATOM 55 CA THR A 5 1.452 -12.286 -4.321 1.00 0.00 C ATOM 56 C THR A 5 2.828 -11.640 -4.144 1.00 0.00 C ATOM 57 O THR A 5 3.660 -11.684 -5.049 1.00 0.00 O ATOM 58 CB THR A 5 1.517 -13.713 -4.870 1.00 0.00 C ATOM 59 OG1 THR A 5 0.234 -14.256 -4.575 1.00 0.00 O ATOM 60 CG2 THR A 5 2.487 -14.598 -4.083 1.00 0.00 C ATOM 0 H THR A 5 0.844 -11.625 -6.214 1.00 0.00 H new ATOM 0 HA THR A 5 1.015 -12.325 -3.323 1.00 0.00 H new ATOM 0 HB THR A 5 1.817 -13.687 -5.917 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.250 -14.668 -3.686 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.496 -15.600 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.489 -14.173 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.167 -14.653 -3.042 1.00 0.00 H new ATOM 68 N CYS A 6 3.024 -11.054 -2.971 1.00 0.00 N ATOM 69 CA CYS A 6 4.284 -10.399 -2.664 1.00 0.00 C ATOM 70 C CYS A 6 5.275 -11.464 -2.187 1.00 0.00 C ATOM 71 O CYS A 6 5.675 -11.468 -1.024 1.00 0.00 O ATOM 72 CB CYS A 6 4.105 -9.284 -1.632 1.00 0.00 C ATOM 73 SG CYS A 6 3.617 -7.664 -2.331 1.00 0.00 S ATOM 0 H CYS A 6 2.332 -11.019 -2.223 1.00 0.00 H new ATOM 0 HA CYS A 6 4.674 -9.916 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.350 -9.594 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.039 -9.161 -1.084 1.00 0.00 H new ATOM 0 HG CYS A 6 4.117 -7.538 -3.524 1.00 0.00 H new ATOM 78 N GLY A 7 5.641 -12.341 -3.111 1.00 0.00 N ATOM 79 CA GLY A 7 6.577 -13.408 -2.799 1.00 0.00 C ATOM 80 C GLY A 7 5.946 -14.431 -1.854 1.00 0.00 C ATOM 81 O GLY A 7 5.960 -15.630 -2.133 1.00 0.00 O ATOM 0 H GLY A 7 5.307 -12.334 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.891 -13.902 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.473 -12.989 -2.341 1.00 0.00 H new ATOM 85 N SER A 8 5.408 -13.923 -0.755 1.00 0.00 N ATOM 86 CA SER A 8 4.774 -14.778 0.233 1.00 0.00 C ATOM 87 C SER A 8 3.411 -14.204 0.623 1.00 0.00 C ATOM 88 O SER A 8 3.128 -14.017 1.806 1.00 0.00 O ATOM 89 CB SER A 8 5.657 -14.938 1.472 1.00 0.00 C ATOM 90 OG SER A 8 5.567 -13.813 2.341 1.00 0.00 O ATOM 0 H SER A 8 5.398 -12.929 -0.527 1.00 0.00 H new ATOM 0 HA SER A 8 4.633 -15.765 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.363 -15.838 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.693 -15.075 1.163 1.00 0.00 H new ATOM 0 HG SER A 8 4.641 -13.708 2.645 1.00 0.00 H new ATOM 96 N ASN A 9 2.602 -13.943 -0.393 1.00 0.00 N ATOM 97 CA ASN A 9 1.274 -13.395 -0.170 1.00 0.00 C ATOM 98 C ASN A 9 0.304 -13.989 -1.193 1.00 0.00 C ATOM 99 O ASN A 9 0.685 -14.843 -1.993 1.00 0.00 O ATOM 100 CB ASN A 9 1.271 -11.874 -0.342 1.00 0.00 C ATOM 101 CG ASN A 9 2.366 -11.224 0.504 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.106 -10.474 1.431 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.600 -11.551 0.136 1.00 0.00 N ATOM 0 H ASN A 9 2.840 -14.101 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 9 0.972 -13.644 0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.421 -11.623 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.299 -11.474 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.401 -11.168 0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.747 -12.185 -0.650 1.00 0.00 H new ATOM 110 N CYS A 10 -0.932 -13.514 -1.133 1.00 0.00 N ATOM 111 CA CYS A 10 -1.960 -13.988 -2.044 1.00 0.00 C ATOM 112 C CYS A 10 -3.244 -13.204 -1.769 1.00 0.00 C ATOM 113 O CYS A 10 -4.273 -13.789 -1.433 1.00 0.00 O ATOM 114 CB CYS A 10 -2.175 -15.498 -1.919 1.00 0.00 C ATOM 115 SG CYS A 10 -2.364 -16.381 -3.511 1.00 0.00 S ATOM 0 H CYS A 10 -1.244 -12.806 -0.468 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.644 -13.817 -3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.331 -15.928 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.064 -15.675 -1.314 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.625 -16.600 -3.739 1.00 0.00 H new ATOM 120 N TYR A 11 -3.144 -11.892 -1.922 1.00 0.00 N ATOM 121 CA TYR A 11 -4.284 -11.021 -1.693 1.00 0.00 C ATOM 122 C TYR A 11 -4.558 -10.144 -2.917 1.00 0.00 C ATOM 123 O TYR A 11 -3.888 -9.132 -3.121 1.00 0.00 O ATOM 124 CB TYR A 11 -3.903 -10.126 -0.513 1.00 0.00 C ATOM 125 CG TYR A 11 -2.406 -9.817 -0.426 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.692 -9.531 -1.571 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.770 -9.824 0.800 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.285 -9.240 -1.489 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.363 -9.533 0.883 1.00 0.00 C ATOM 130 CZ TYR A 11 0.311 -9.255 -0.266 1.00 0.00 C ATOM 131 OH TYR A 11 1.640 -8.980 -0.188 1.00 0.00 O ATOM 0 H TYR A 11 -2.290 -11.410 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.182 -11.608 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.454 -9.188 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.219 -10.608 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.189 -9.525 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.329 -10.048 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.285 -9.015 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.146 -9.535 1.835 1.00 0.00 H new ATOM 0 HH TYR A 11 1.948 -9.113 0.733 1.00 0.00 H new ATOM 141 N SER A 12 -5.543 -10.563 -3.697 1.00 0.00 N ATOM 142 CA SER A 12 -5.913 -9.828 -4.894 1.00 0.00 C ATOM 143 C SER A 12 -6.439 -8.442 -4.516 1.00 0.00 C ATOM 144 O SER A 12 -6.533 -8.111 -3.335 1.00 0.00 O ATOM 145 CB SER A 12 -6.961 -10.590 -5.707 1.00 0.00 C ATOM 146 OG SER A 12 -8.077 -10.976 -4.909 1.00 0.00 O ATOM 0 H SER A 12 -6.096 -11.402 -3.523 1.00 0.00 H new ATOM 0 HA SER A 12 -5.024 -9.715 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.304 -9.966 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.505 -11.477 -6.146 1.00 0.00 H new ATOM 0 HG SER A 12 -8.725 -11.459 -5.464 1.00 0.00 H new ATOM 152 N SER A 13 -6.769 -7.669 -5.540 1.00 0.00 N ATOM 153 CA SER A 13 -7.285 -6.327 -5.330 1.00 0.00 C ATOM 154 C SER A 13 -8.439 -6.360 -4.325 1.00 0.00 C ATOM 155 O SER A 13 -8.803 -5.331 -3.758 1.00 0.00 O ATOM 156 CB SER A 13 -7.745 -5.700 -6.647 1.00 0.00 C ATOM 157 OG SER A 13 -8.406 -6.646 -7.485 1.00 0.00 O ATOM 0 H SER A 13 -6.689 -7.947 -6.518 1.00 0.00 H new ATOM 0 HA SER A 13 -6.480 -5.711 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.418 -4.868 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.884 -5.288 -7.173 1.00 0.00 H new ATOM 0 HG SER A 13 -8.686 -6.208 -8.315 1.00 0.00 H new ATOM 163 N SER A 14 -8.981 -7.554 -4.136 1.00 0.00 N ATOM 164 CA SER A 14 -10.086 -7.735 -3.210 1.00 0.00 C ATOM 165 C SER A 14 -9.558 -7.835 -1.778 1.00 0.00 C ATOM 166 O SER A 14 -10.243 -7.448 -0.832 1.00 0.00 O ATOM 167 CB SER A 14 -10.902 -8.981 -3.563 1.00 0.00 C ATOM 168 OG SER A 14 -12.030 -9.141 -2.707 1.00 0.00 O ATOM 0 H SER A 14 -8.676 -8.405 -4.608 1.00 0.00 H new ATOM 0 HA SER A 14 -10.743 -6.869 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.239 -8.913 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.266 -9.863 -3.493 1.00 0.00 H new ATOM 0 HG SER A 14 -12.525 -9.946 -2.966 1.00 0.00 H new ATOM 174 N ASP A 15 -8.345 -8.354 -1.663 1.00 0.00 N ATOM 175 CA ASP A 15 -7.717 -8.509 -0.362 1.00 0.00 C ATOM 176 C ASP A 15 -7.050 -7.191 0.038 1.00 0.00 C ATOM 177 O ASP A 15 -7.099 -6.794 1.202 1.00 0.00 O ATOM 178 CB ASP A 15 -6.637 -9.593 -0.396 1.00 0.00 C ATOM 179 CG ASP A 15 -7.119 -10.995 -0.021 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.160 -11.406 -0.576 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.432 -11.626 0.813 1.00 0.00 O ATOM 0 H ASP A 15 -7.780 -8.673 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.490 -8.792 0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.209 -9.628 -1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.834 -9.307 0.284 1.00 0.00 H new ATOM 186 N VAL A 16 -6.443 -6.548 -0.948 1.00 0.00 N ATOM 187 CA VAL A 16 -5.768 -5.283 -0.715 1.00 0.00 C ATOM 188 C VAL A 16 -6.771 -4.269 -0.160 1.00 0.00 C ATOM 189 O VAL A 16 -6.505 -3.615 0.846 1.00 0.00 O ATOM 190 CB VAL A 16 -5.086 -4.809 -1.999 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.430 -3.440 -1.798 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.066 -5.838 -2.491 1.00 0.00 C ATOM 0 H VAL A 16 -6.405 -6.880 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.981 -5.402 0.029 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.853 -4.704 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.952 -3.126 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.189 -2.711 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.681 -3.508 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.596 -5.476 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.304 -5.989 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.571 -6.783 -2.692 1.00 0.00 H new ATOM 202 N SER A 17 -7.903 -4.172 -0.842 1.00 0.00 N ATOM 203 CA SER A 17 -8.947 -3.249 -0.432 1.00 0.00 C ATOM 204 C SER A 17 -9.007 -3.173 1.095 1.00 0.00 C ATOM 205 O SER A 17 -8.969 -2.086 1.669 1.00 0.00 O ATOM 206 CB SER A 17 -10.307 -3.668 -0.996 1.00 0.00 C ATOM 207 OG SER A 17 -11.262 -2.613 -0.926 1.00 0.00 O ATOM 0 H SER A 17 -8.120 -4.718 -1.676 1.00 0.00 H new ATOM 0 HA SER A 17 -8.707 -2.263 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.188 -3.981 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.679 -4.531 -0.443 1.00 0.00 H new ATOM 0 HG SER A 17 -12.116 -2.919 -1.297 1.00 0.00 H new ATOM 213 N THR A 18 -9.101 -4.343 1.711 1.00 0.00 N ATOM 214 CA THR A 18 -9.167 -4.423 3.160 1.00 0.00 C ATOM 215 C THR A 18 -8.054 -3.583 3.791 1.00 0.00 C ATOM 216 O THR A 18 -8.316 -2.751 4.659 1.00 0.00 O ATOM 217 CB THR A 18 -9.113 -5.900 3.555 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.479 -6.300 3.592 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.624 -6.105 4.991 1.00 0.00 C ATOM 0 H THR A 18 -9.133 -5.243 1.232 1.00 0.00 H new ATOM 0 HA THR A 18 -10.100 -4.005 3.538 1.00 0.00 H new ATOM 0 HB THR A 18 -8.457 -6.435 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.536 -7.247 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.605 -7.170 5.220 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.620 -5.693 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.298 -5.598 5.681 1.00 0.00 H new ATOM 227 N ALA A 19 -6.837 -3.832 3.332 1.00 0.00 N ATOM 228 CA ALA A 19 -5.683 -3.109 3.841 1.00 0.00 C ATOM 229 C ALA A 19 -5.857 -1.615 3.559 1.00 0.00 C ATOM 230 O ALA A 19 -5.555 -0.779 4.409 1.00 0.00 O ATOM 231 CB ALA A 19 -4.408 -3.676 3.214 1.00 0.00 C ATOM 0 H ALA A 19 -6.624 -4.524 2.613 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.598 -3.233 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.543 -3.134 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.316 -4.732 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.456 -3.567 2.131 1.00 0.00 H new ATOM 237 N GLN A 20 -6.343 -1.325 2.361 1.00 0.00 N ATOM 238 CA GLN A 20 -6.562 0.053 1.956 1.00 0.00 C ATOM 239 C GLN A 20 -7.506 0.752 2.936 1.00 0.00 C ATOM 240 O GLN A 20 -7.173 1.801 3.484 1.00 0.00 O ATOM 241 CB GLN A 20 -7.102 0.126 0.526 1.00 0.00 C ATOM 242 CG GLN A 20 -6.324 -0.809 -0.402 1.00 0.00 C ATOM 243 CD GLN A 20 -7.065 -1.010 -1.725 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.171 -2.108 -2.246 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.571 0.108 -2.237 1.00 0.00 N ATOM 0 H GLN A 20 -6.591 -2.021 1.658 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.604 0.572 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.158 -0.144 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.032 1.150 0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.334 -0.395 -0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.177 -1.772 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.446 0.995 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.084 0.079 -3.118 1.00 0.00 H new ATOM 254 N ALA A 21 -8.667 0.142 3.126 1.00 0.00 N ATOM 255 CA ALA A 21 -9.663 0.692 4.029 1.00 0.00 C ATOM 256 C ALA A 21 -8.959 1.344 5.220 1.00 0.00 C ATOM 257 O ALA A 21 -9.376 2.402 5.690 1.00 0.00 O ATOM 258 CB ALA A 21 -10.630 -0.415 4.457 1.00 0.00 C ATOM 0 H ALA A 21 -8.940 -0.728 2.669 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.250 1.463 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.378 -0.003 5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.125 -0.826 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.077 -1.205 4.964 1.00 0.00 H new ATOM 264 N ALA A 22 -7.903 0.685 5.676 1.00 0.00 N ATOM 265 CA ALA A 22 -7.137 1.188 6.804 1.00 0.00 C ATOM 266 C ALA A 22 -6.284 2.373 6.347 1.00 0.00 C ATOM 267 O ALA A 22 -6.286 3.426 6.983 1.00 0.00 O ATOM 268 CB ALA A 22 -6.295 0.057 7.395 1.00 0.00 C ATOM 0 H ALA A 22 -7.560 -0.192 5.285 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.802 1.544 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.721 0.435 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.950 -0.747 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.613 -0.324 6.635 1.00 0.00 H new ATOM 274 N GLY A 23 -5.575 2.163 5.248 1.00 0.00 N ATOM 275 CA GLY A 23 -4.718 3.200 4.699 1.00 0.00 C ATOM 276 C GLY A 23 -5.490 4.508 4.515 1.00 0.00 C ATOM 277 O GLY A 23 -4.976 5.584 4.815 1.00 0.00 O ATOM 0 H GLY A 23 -5.576 1.289 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.869 3.365 5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.314 2.874 3.740 1.00 0.00 H new ATOM 281 N TYR A 24 -6.713 4.371 4.024 1.00 0.00 N ATOM 282 CA TYR A 24 -7.562 5.529 3.796 1.00 0.00 C ATOM 283 C TYR A 24 -8.142 6.051 5.112 1.00 0.00 C ATOM 284 O TYR A 24 -7.806 7.150 5.551 1.00 0.00 O ATOM 285 CB TYR A 24 -8.706 5.044 2.904 1.00 0.00 C ATOM 286 CG TYR A 24 -9.496 6.172 2.238 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.130 7.487 2.445 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.575 5.875 1.430 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.874 8.549 1.818 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.319 6.937 0.803 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.931 8.221 1.028 1.00 0.00 C ATOM 292 OH TYR A 24 -11.633 9.223 0.435 1.00 0.00 O ATOM 0 H TYR A 24 -7.136 3.476 3.778 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.992 6.339 3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.299 4.393 2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.388 4.440 3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.286 7.719 3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.861 4.846 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.599 9.582 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.165 6.719 0.169 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.011 9.877 0.054 1.00 0.00 H new ATOM 302 N LYS A 25 -9.003 5.238 5.706 1.00 0.00 N ATOM 303 CA LYS A 25 -9.634 5.603 6.963 1.00 0.00 C ATOM 304 C LYS A 25 -8.626 6.353 7.834 1.00 0.00 C ATOM 305 O LYS A 25 -8.884 7.478 8.261 1.00 0.00 O ATOM 306 CB LYS A 25 -10.234 4.369 7.639 1.00 0.00 C ATOM 307 CG LYS A 25 -10.303 4.554 9.157 1.00 0.00 C ATOM 308 CD LYS A 25 -8.957 4.236 9.810 1.00 0.00 C ATOM 309 CE LYS A 25 -9.143 3.353 11.046 1.00 0.00 C ATOM 310 NZ LYS A 25 -8.580 2.004 10.809 1.00 0.00 N ATOM 0 H LYS A 25 -9.279 4.327 5.340 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.470 6.280 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.234 4.185 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.632 3.492 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.591 5.579 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.075 3.905 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.310 3.731 9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.458 5.163 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.654 3.812 11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.203 3.274 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.715 1.418 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.065 1.562 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.564 2.083 10.601 1.00 0.00 H new ATOM 324 N LEU A 26 -7.498 5.701 8.074 1.00 0.00 N ATOM 325 CA LEU A 26 -6.449 6.293 8.887 1.00 0.00 C ATOM 326 C LEU A 26 -5.933 7.560 8.204 1.00 0.00 C ATOM 327 O LEU A 26 -5.612 8.543 8.871 1.00 0.00 O ATOM 328 CB LEU A 26 -5.355 5.264 9.182 1.00 0.00 C ATOM 329 CG LEU A 26 -4.032 5.825 9.708 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.262 6.733 10.918 1.00 0.00 C ATOM 331 CD2 LEU A 26 -3.043 4.699 10.017 1.00 0.00 C ATOM 0 H LEU A 26 -7.287 4.768 7.720 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.843 6.593 9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.741 4.552 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.153 4.706 8.268 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.587 6.439 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.305 7.118 11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.904 7.566 10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.740 6.163 11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.111 5.125 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.468 4.039 10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.844 4.130 9.109 1.00 0.00 H new ATOM 343 N HIS A 27 -5.870 7.498 6.882 1.00 0.00 N ATOM 344 CA HIS A 27 -5.398 8.628 6.100 1.00 0.00 C ATOM 345 C HIS A 27 -6.358 9.807 6.274 1.00 0.00 C ATOM 346 O HIS A 27 -5.925 10.940 6.478 1.00 0.00 O ATOM 347 CB HIS A 27 -5.203 8.233 4.636 1.00 0.00 C ATOM 348 CG HIS A 27 -5.105 9.406 3.690 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.107 10.360 3.779 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.892 9.769 2.635 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.294 11.252 2.818 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.400 10.885 2.111 1.00 0.00 N ATOM 0 H HIS A 27 -6.138 6.682 6.332 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.420 8.943 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.297 7.634 4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.035 7.599 4.328 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.355 10.374 4.468 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.766 9.239 2.286 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.678 12.118 2.628 1.00 0.00 H new ATOM 361 N GLU A 28 -7.643 9.500 6.185 1.00 0.00 N ATOM 362 CA GLU A 28 -8.668 10.520 6.329 1.00 0.00 C ATOM 363 C GLU A 28 -8.660 11.083 7.752 1.00 0.00 C ATOM 364 O GLU A 28 -9.099 12.209 7.980 1.00 0.00 O ATOM 365 CB GLU A 28 -10.047 9.967 5.966 1.00 0.00 C ATOM 366 CG GLU A 28 -9.947 8.521 5.474 1.00 0.00 C ATOM 367 CD GLU A 28 -11.301 8.017 4.972 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.300 8.278 5.677 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.307 7.383 3.896 1.00 0.00 O ATOM 0 H GLU A 28 -7.998 8.559 6.015 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.445 11.332 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.702 10.014 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.499 10.588 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.211 8.456 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.594 7.882 6.283 1.00 0.00 H new ATOM 376 N ASP A 29 -8.157 10.274 8.671 1.00 0.00 N ATOM 377 CA ASP A 29 -8.085 10.677 10.066 1.00 0.00 C ATOM 378 C ASP A 29 -6.819 11.505 10.289 1.00 0.00 C ATOM 379 O ASP A 29 -6.742 12.286 11.236 1.00 0.00 O ATOM 380 CB ASP A 29 -8.024 9.459 10.989 1.00 0.00 C ATOM 381 CG ASP A 29 -9.185 8.474 10.840 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.022 8.716 9.944 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.211 7.502 11.627 1.00 0.00 O ATOM 0 H ASP A 29 -7.795 9.340 8.478 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.978 11.258 10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.091 8.928 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.993 9.806 12.022 1.00 0.00 H new ATOM 388 N GLY A 30 -5.855 11.304 9.401 1.00 0.00 N ATOM 389 CA GLY A 30 -4.596 12.022 9.490 1.00 0.00 C ATOM 390 C GLY A 30 -3.695 11.417 10.569 1.00 0.00 C ATOM 391 O GLY A 30 -2.798 12.087 11.081 1.00 0.00 O ATOM 0 H GLY A 30 -5.922 10.654 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.087 11.991 8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.787 13.071 9.716 1.00 0.00 H new ATOM 395 N GLU A 31 -3.963 10.159 10.882 1.00 0.00 N ATOM 396 CA GLU A 31 -3.188 9.457 11.892 1.00 0.00 C ATOM 397 C GLU A 31 -2.164 8.535 11.228 1.00 0.00 C ATOM 398 O GLU A 31 -2.145 8.400 10.006 1.00 0.00 O ATOM 399 CB GLU A 31 -4.101 8.673 12.837 1.00 0.00 C ATOM 400 CG GLU A 31 -4.563 9.547 14.004 1.00 0.00 C ATOM 401 CD GLU A 31 -3.443 9.732 15.028 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.269 9.667 14.604 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.785 9.935 16.214 1.00 0.00 O ATOM 0 H GLU A 31 -4.706 9.606 10.454 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.651 10.195 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.968 8.305 12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.571 7.800 13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.883 10.520 13.630 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.428 9.090 14.485 1.00 0.00 H new ATOM 410 N THR A 32 -1.337 7.923 12.063 1.00 0.00 N ATOM 411 CA THR A 32 -0.312 7.017 11.573 1.00 0.00 C ATOM 412 C THR A 32 -0.413 5.665 12.280 1.00 0.00 C ATOM 413 O THR A 32 -1.302 5.456 13.105 1.00 0.00 O ATOM 414 CB THR A 32 1.046 7.698 11.752 1.00 0.00 C ATOM 415 OG1 THR A 32 1.165 7.868 13.162 1.00 0.00 O ATOM 416 CG2 THR A 32 1.063 9.125 11.202 1.00 0.00 C ATOM 0 H THR A 32 -1.356 8.037 13.076 1.00 0.00 H new ATOM 0 HA THR A 32 -0.447 6.804 10.513 1.00 0.00 H new ATOM 0 HB THR A 32 1.816 7.109 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.019 8.302 13.368 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.050 9.562 11.355 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.835 9.107 10.136 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.316 9.725 11.723 1.00 0.00 H new ATOM 424 N VAL A 33 0.511 4.781 11.932 1.00 0.00 N ATOM 425 CA VAL A 33 0.538 3.454 12.524 1.00 0.00 C ATOM 426 C VAL A 33 1.981 3.088 12.879 1.00 0.00 C ATOM 427 O VAL A 33 2.872 3.176 12.037 1.00 0.00 O ATOM 428 CB VAL A 33 -0.120 2.446 11.580 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.523 2.908 11.176 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.752 2.200 10.348 1.00 0.00 C ATOM 0 H VAL A 33 1.246 4.958 11.248 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.039 3.436 13.449 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.219 1.501 12.114 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.969 2.174 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.143 3.009 12.067 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.457 3.870 10.669 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.262 1.480 9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.897 3.138 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.720 1.807 10.660 1.00 0.00 H new ATOM 440 N GLY A 34 2.165 2.683 14.127 1.00 0.00 N ATOM 441 CA GLY A 34 3.485 2.303 14.603 1.00 0.00 C ATOM 442 C GLY A 34 4.350 3.537 14.865 1.00 0.00 C ATOM 443 O GLY A 34 3.848 4.569 15.306 1.00 0.00 O ATOM 0 H GLY A 34 1.423 2.610 14.823 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.391 1.719 15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.971 1.664 13.866 1.00 0.00 H new ATOM 447 N SER A 35 5.635 3.390 14.581 1.00 0.00 N ATOM 448 CA SER A 35 6.575 4.479 14.779 1.00 0.00 C ATOM 449 C SER A 35 6.803 5.222 13.461 1.00 0.00 C ATOM 450 O SER A 35 7.343 6.327 13.451 1.00 0.00 O ATOM 451 CB SER A 35 7.906 3.965 15.335 1.00 0.00 C ATOM 452 OG SER A 35 7.930 3.981 16.760 1.00 0.00 O ATOM 0 H SER A 35 6.048 2.532 14.215 1.00 0.00 H new ATOM 0 HA SER A 35 6.149 5.168 15.508 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.079 2.949 14.981 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.721 4.579 14.952 1.00 0.00 H new ATOM 0 HG SER A 35 8.794 3.645 17.076 1.00 0.00 H new ATOM 458 N ASN A 36 6.380 4.585 12.379 1.00 0.00 N ATOM 459 CA ASN A 36 6.530 5.170 11.058 1.00 0.00 C ATOM 460 C ASN A 36 5.491 6.278 10.874 1.00 0.00 C ATOM 461 O ASN A 36 4.876 6.724 11.842 1.00 0.00 O ATOM 462 CB ASN A 36 6.306 4.126 9.963 1.00 0.00 C ATOM 463 CG ASN A 36 7.638 3.650 9.379 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.709 3.965 9.871 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.511 2.876 8.305 1.00 0.00 N ATOM 0 H ASN A 36 5.933 3.668 12.391 1.00 0.00 H new ATOM 0 HA ASN A 36 7.543 5.564 10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.760 3.276 10.372 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.689 4.551 9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.341 2.507 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.583 2.651 7.945 1.00 0.00 H new ATOM 472 N SER A 37 5.326 6.690 9.626 1.00 0.00 N ATOM 473 CA SER A 37 4.371 7.736 9.303 1.00 0.00 C ATOM 474 C SER A 37 3.402 7.247 8.226 1.00 0.00 C ATOM 475 O SER A 37 3.092 7.978 7.287 1.00 0.00 O ATOM 476 CB SER A 37 5.084 9.008 8.838 1.00 0.00 C ATOM 477 OG SER A 37 5.284 9.022 7.427 1.00 0.00 O ATOM 0 H SER A 37 5.838 6.318 8.826 1.00 0.00 H new ATOM 0 HA SER A 37 3.809 7.976 10.206 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.498 9.879 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.047 9.088 9.342 1.00 0.00 H new ATOM 0 HG SER A 37 4.417 8.968 6.973 1.00 0.00 H new ATOM 483 N TYR A 38 2.951 6.013 8.398 1.00 0.00 N ATOM 484 CA TYR A 38 2.023 5.417 7.452 1.00 0.00 C ATOM 485 C TYR A 38 0.581 5.531 7.952 1.00 0.00 C ATOM 486 O TYR A 38 0.333 5.491 9.156 1.00 0.00 O ATOM 487 CB TYR A 38 2.404 3.939 7.363 1.00 0.00 C ATOM 488 CG TYR A 38 3.769 3.686 6.718 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.839 4.498 7.030 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.929 2.645 5.826 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.124 4.260 6.424 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.213 2.408 5.220 1.00 0.00 C ATOM 493 CZ TYR A 38 6.248 3.226 5.550 1.00 0.00 C ATOM 494 OH TYR A 38 7.461 3.002 4.977 1.00 0.00 O ATOM 0 H TYR A 38 3.211 5.410 9.178 1.00 0.00 H new ATOM 0 HA TYR A 38 2.080 5.922 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.403 3.513 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.640 3.411 6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.714 5.312 7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.091 2.008 5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.970 4.889 6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.351 1.598 4.519 1.00 0.00 H new ATOM 0 HH TYR A 38 7.401 2.231 4.376 1.00 0.00 H new ATOM 504 N PRO A 39 -0.356 5.674 6.977 1.00 0.00 N ATOM 505 CA PRO A 39 0.023 5.712 5.575 1.00 0.00 C ATOM 506 C PRO A 39 0.654 7.059 5.214 1.00 0.00 C ATOM 507 O PRO A 39 0.953 7.863 6.094 1.00 0.00 O ATOM 508 CB PRO A 39 -1.263 5.436 4.812 1.00 0.00 C ATOM 509 CG PRO A 39 -2.394 5.713 5.788 1.00 0.00 C ATOM 510 CD PRO A 39 -1.795 5.803 7.183 1.00 0.00 C ATOM 0 HA PRO A 39 0.785 4.974 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.340 6.076 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.295 4.405 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.902 6.642 5.530 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.140 4.919 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.043 6.751 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.175 5.012 7.829 1.00 0.00 H new ATOM 518 N HIS A 40 0.838 7.261 3.917 1.00 0.00 N ATOM 519 CA HIS A 40 1.428 8.496 3.429 1.00 0.00 C ATOM 520 C HIS A 40 1.566 8.433 1.907 1.00 0.00 C ATOM 521 O HIS A 40 1.502 7.354 1.319 1.00 0.00 O ATOM 522 CB HIS A 40 2.756 8.779 4.134 1.00 0.00 C ATOM 523 CG HIS A 40 3.863 7.819 3.764 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.606 7.943 2.603 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.346 6.722 4.415 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.491 6.958 2.567 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.328 6.203 3.690 1.00 0.00 N ATOM 0 H HIS A 40 0.589 6.590 3.190 1.00 0.00 H new ATOM 0 HA HIS A 40 0.772 9.334 3.665 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.074 9.794 3.895 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.599 8.739 5.212 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.492 8.669 1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.989 6.341 5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.215 6.784 1.785 1.00 0.00 H new ATOM 536 N LYS A 41 1.752 9.602 1.313 1.00 0.00 N ATOM 537 CA LYS A 41 1.899 9.693 -0.130 1.00 0.00 C ATOM 538 C LYS A 41 2.902 8.639 -0.603 1.00 0.00 C ATOM 539 O LYS A 41 3.660 8.095 0.197 1.00 0.00 O ATOM 540 CB LYS A 41 2.266 11.120 -0.543 1.00 0.00 C ATOM 541 CG LYS A 41 1.478 11.553 -1.780 1.00 0.00 C ATOM 542 CD LYS A 41 1.820 12.991 -2.172 1.00 0.00 C ATOM 543 CE LYS A 41 1.129 13.993 -1.244 1.00 0.00 C ATOM 544 NZ LYS A 41 1.302 15.373 -1.750 1.00 0.00 N ATOM 0 H LYS A 41 1.804 10.494 1.804 1.00 0.00 H new ATOM 0 HA LYS A 41 0.951 9.477 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.062 11.804 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.335 11.179 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.701 10.883 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.409 11.471 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.899 13.136 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.514 13.173 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.067 13.757 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.544 13.913 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.827 16.040 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.316 15.601 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.885 15.449 -2.700 1.00 0.00 H new ATOM 558 N TYR A 42 2.872 8.382 -1.903 1.00 0.00 N ATOM 559 CA TYR A 42 3.769 7.403 -2.493 1.00 0.00 C ATOM 560 C TYR A 42 4.007 7.699 -3.975 1.00 0.00 C ATOM 561 O TYR A 42 5.129 7.578 -4.464 1.00 0.00 O ATOM 562 CB TYR A 42 3.063 6.051 -2.362 1.00 0.00 C ATOM 563 CG TYR A 42 3.668 4.946 -3.230 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.464 4.953 -4.595 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.417 3.944 -2.649 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.033 3.912 -5.413 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.985 2.904 -3.466 1.00 0.00 C ATOM 568 CZ TYR A 42 4.766 2.940 -4.808 1.00 0.00 C ATOM 569 OH TYR A 42 5.303 1.957 -5.580 1.00 0.00 O ATOM 0 H TYR A 42 2.241 8.835 -2.564 1.00 0.00 H new ATOM 0 HA TYR A 42 4.737 7.420 -1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.093 5.737 -1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.013 6.174 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.878 5.738 -5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.577 3.940 -1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.881 3.904 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.572 2.113 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 42 5.711 2.354 -6.378 1.00 0.00 H new ATOM 579 N ASN A 43 2.932 8.082 -4.648 1.00 0.00 N ATOM 580 CA ASN A 43 3.008 8.396 -6.065 1.00 0.00 C ATOM 581 C ASN A 43 3.461 7.154 -6.835 1.00 0.00 C ATOM 582 O ASN A 43 2.646 6.300 -7.180 1.00 0.00 O ATOM 583 CB ASN A 43 4.022 9.511 -6.328 1.00 0.00 C ATOM 584 CG ASN A 43 3.335 10.877 -6.374 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.293 11.546 -7.393 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.800 11.253 -5.215 1.00 0.00 N ATOM 0 H ASN A 43 2.003 8.182 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 43 2.020 8.722 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.782 9.508 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.535 9.326 -7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.319 12.150 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.871 10.645 -4.399 1.00 0.00 H new ATOM 593 N ASN A 44 4.763 7.092 -7.081 1.00 0.00 N ATOM 594 CA ASN A 44 5.334 5.969 -7.804 1.00 0.00 C ATOM 595 C ASN A 44 6.621 6.417 -8.499 1.00 0.00 C ATOM 596 O ASN A 44 6.940 7.604 -8.516 1.00 0.00 O ATOM 597 CB ASN A 44 4.371 5.455 -8.876 1.00 0.00 C ATOM 598 CG ASN A 44 4.380 6.370 -10.103 1.00 0.00 C ATOM 599 OD1 ASN A 44 5.260 6.017 -11.035 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 3.635 7.333 -10.197 1.00 0.00 N flip ATOM 0 H ASN A 44 5.437 7.801 -6.792 1.00 0.00 H new ATOM 0 HA ASN A 44 5.532 5.172 -7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.653 4.444 -9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.362 5.398 -8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.982 7.548 -9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.666 7.922 -11.029 1.00 0.00 H new ATOM 607 N TYR A 45 7.326 5.442 -9.056 1.00 0.00 N ATOM 608 CA TYR A 45 8.570 5.722 -9.751 1.00 0.00 C ATOM 609 C TYR A 45 9.192 4.436 -10.302 1.00 0.00 C ATOM 610 O TYR A 45 9.563 4.375 -11.472 1.00 0.00 O ATOM 611 CB TYR A 45 9.512 6.321 -8.705 1.00 0.00 C ATOM 612 CG TYR A 45 9.565 7.851 -8.719 1.00 0.00 C ATOM 613 CD1 TYR A 45 8.794 8.559 -9.618 1.00 0.00 C ATOM 614 CD2 TYR A 45 10.383 8.521 -7.833 1.00 0.00 C ATOM 615 CE1 TYR A 45 8.844 9.999 -9.632 1.00 0.00 C ATOM 616 CE2 TYR A 45 10.433 9.960 -7.847 1.00 0.00 C ATOM 617 CZ TYR A 45 9.661 10.627 -8.746 1.00 0.00 C ATOM 618 OH TYR A 45 9.708 11.987 -8.758 1.00 0.00 O ATOM 0 H TYR A 45 7.059 4.458 -9.040 1.00 0.00 H new ATOM 0 HA TYR A 45 8.397 6.394 -10.592 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.199 5.987 -7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.517 5.931 -8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.153 8.034 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.986 7.966 -7.129 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.246 10.566 -10.330 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.069 10.497 -7.159 1.00 0.00 H new ATOM 0 HH TYR A 45 10.333 12.299 -8.070 1.00 0.00 H new ATOM 628 N GLU A 46 9.285 3.442 -9.431 1.00 0.00 N ATOM 629 CA GLU A 46 9.854 2.162 -9.815 1.00 0.00 C ATOM 630 C GLU A 46 9.295 1.716 -11.168 1.00 0.00 C ATOM 631 O GLU A 46 9.881 0.867 -11.837 1.00 0.00 O ATOM 632 CB GLU A 46 9.599 1.103 -8.740 1.00 0.00 C ATOM 633 CG GLU A 46 10.363 1.430 -7.457 1.00 0.00 C ATOM 634 CD GLU A 46 11.050 2.794 -7.559 1.00 0.00 C ATOM 635 OE1 GLU A 46 10.386 3.792 -7.206 1.00 0.00 O ATOM 636 OE2 GLU A 46 12.224 2.807 -7.988 1.00 0.00 O ATOM 0 H GLU A 46 8.976 3.497 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 46 10.933 2.281 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.532 1.045 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.904 0.124 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.677 1.427 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.108 0.657 -7.266 1.00 0.00 H new ATOM 643 N GLY A 47 8.167 2.310 -11.530 1.00 0.00 N ATOM 644 CA GLY A 47 7.521 1.984 -12.790 1.00 0.00 C ATOM 645 C GLY A 47 6.185 1.277 -12.556 1.00 0.00 C ATOM 646 O GLY A 47 5.945 0.200 -13.099 1.00 0.00 O ATOM 0 H GLY A 47 7.684 3.015 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.358 2.895 -13.365 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.175 1.345 -13.383 1.00 0.00 H new ATOM 650 N PHE A 48 5.351 1.911 -11.746 1.00 0.00 N ATOM 651 CA PHE A 48 4.044 1.356 -11.432 1.00 0.00 C ATOM 652 C PHE A 48 2.967 1.943 -12.345 1.00 0.00 C ATOM 653 O PHE A 48 2.914 3.154 -12.552 1.00 0.00 O ATOM 654 CB PHE A 48 3.733 1.736 -9.983 1.00 0.00 C ATOM 655 CG PHE A 48 4.693 1.127 -8.960 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.522 -0.157 -8.547 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.718 1.871 -8.463 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.413 -0.722 -7.597 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.609 1.305 -7.512 1.00 0.00 C ATOM 660 CZ PHE A 48 6.438 0.022 -7.099 1.00 0.00 C ATOM 0 H PHE A 48 5.554 2.804 -11.297 1.00 0.00 H new ATOM 0 HA PHE A 48 4.053 0.275 -11.575 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.759 2.822 -9.889 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.717 1.420 -9.745 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.708 -0.747 -8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.854 2.891 -8.791 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.277 -1.742 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.423 1.895 -7.117 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.115 -0.407 -6.376 1.00 0.00 H new ATOM 670 N ASP A 49 2.130 1.057 -12.866 1.00 0.00 N ATOM 671 CA ASP A 49 1.056 1.471 -13.752 1.00 0.00 C ATOM 672 C ASP A 49 -0.214 1.705 -12.932 1.00 0.00 C ATOM 673 O ASP A 49 -1.247 1.089 -13.192 1.00 0.00 O ATOM 674 CB ASP A 49 0.754 0.393 -14.794 1.00 0.00 C ATOM 675 CG ASP A 49 1.951 -0.472 -15.195 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.804 0.051 -15.943 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.984 -1.637 -14.744 1.00 0.00 O ATOM 0 H ASP A 49 2.175 0.053 -12.691 1.00 0.00 H new ATOM 0 HA ASP A 49 1.370 2.383 -14.259 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.031 -0.256 -14.406 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.357 0.874 -15.688 1.00 0.00 H new ATOM 682 N PHE A 50 -0.096 2.595 -11.957 1.00 0.00 N ATOM 683 CA PHE A 50 -1.222 2.916 -11.097 1.00 0.00 C ATOM 684 C PHE A 50 -2.387 3.485 -11.909 1.00 0.00 C ATOM 685 O PHE A 50 -2.441 4.687 -12.164 1.00 0.00 O ATOM 686 CB PHE A 50 -0.739 3.978 -10.106 1.00 0.00 C ATOM 687 CG PHE A 50 0.235 3.448 -9.052 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.593 2.136 -9.055 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.740 4.288 -8.109 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.496 1.644 -8.076 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.643 3.796 -7.130 1.00 0.00 C ATOM 692 CZ PHE A 50 2.003 2.484 -7.134 1.00 0.00 C ATOM 0 H PHE A 50 0.762 3.104 -11.744 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.572 2.016 -10.591 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.257 4.784 -10.659 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.604 4.410 -9.602 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.190 1.468 -9.802 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.454 5.329 -8.105 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.780 0.602 -8.079 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.044 4.464 -6.382 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.691 2.110 -6.390 1.00 0.00 H new ATOM 702 N SER A 51 -3.291 2.595 -12.291 1.00 0.00 N ATOM 703 CA SER A 51 -4.451 2.994 -13.069 1.00 0.00 C ATOM 704 C SER A 51 -5.424 3.783 -12.190 1.00 0.00 C ATOM 705 O SER A 51 -6.619 3.840 -12.476 1.00 0.00 O ATOM 706 CB SER A 51 -5.152 1.777 -13.675 1.00 0.00 C ATOM 707 OG SER A 51 -5.682 0.912 -12.674 1.00 0.00 O ATOM 0 H SER A 51 -3.243 1.599 -12.076 1.00 0.00 H new ATOM 0 HA SER A 51 -4.112 3.630 -13.887 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.958 2.111 -14.329 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.447 1.224 -14.295 1.00 0.00 H new ATOM 0 HG SER A 51 -6.123 0.148 -13.102 1.00 0.00 H new ATOM 713 N VAL A 52 -4.875 4.372 -11.137 1.00 0.00 N ATOM 714 CA VAL A 52 -5.681 5.156 -10.215 1.00 0.00 C ATOM 715 C VAL A 52 -5.245 6.620 -10.282 1.00 0.00 C ATOM 716 O VAL A 52 -4.147 6.924 -10.747 1.00 0.00 O ATOM 717 CB VAL A 52 -5.583 4.567 -8.806 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.018 3.100 -8.792 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.168 4.724 -8.243 1.00 0.00 C ATOM 0 H VAL A 52 -3.884 4.322 -10.902 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.733 5.117 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.264 5.124 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.938 2.707 -7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.051 3.024 -9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.375 2.523 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.126 4.297 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.460 4.205 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.910 5.782 -8.198 1.00 0.00 H new ATOM 729 N SER A 53 -6.127 7.489 -9.811 1.00 0.00 N ATOM 730 CA SER A 53 -5.846 8.915 -9.812 1.00 0.00 C ATOM 731 C SER A 53 -5.144 9.311 -8.512 1.00 0.00 C ATOM 732 O SER A 53 -5.501 8.831 -7.437 1.00 0.00 O ATOM 733 CB SER A 53 -7.131 9.727 -9.990 1.00 0.00 C ATOM 734 OG SER A 53 -6.864 11.057 -10.431 1.00 0.00 O ATOM 0 H SER A 53 -7.036 7.234 -9.426 1.00 0.00 H new ATOM 0 HA SER A 53 -5.188 9.135 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.778 9.229 -10.712 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.673 9.760 -9.045 1.00 0.00 H new ATOM 0 HG SER A 53 -7.709 11.543 -10.535 1.00 0.00 H new ATOM 740 N SER A 54 -4.157 10.184 -8.652 1.00 0.00 N ATOM 741 CA SER A 54 -3.400 10.650 -7.504 1.00 0.00 C ATOM 742 C SER A 54 -4.284 11.529 -6.617 1.00 0.00 C ATOM 743 O SER A 54 -5.388 11.904 -7.011 1.00 0.00 O ATOM 744 CB SER A 54 -2.153 11.421 -7.940 1.00 0.00 C ATOM 745 OG SER A 54 -2.396 12.824 -8.026 1.00 0.00 O ATOM 0 H SER A 54 -3.864 10.581 -9.545 1.00 0.00 H new ATOM 0 HA SER A 54 -3.074 9.780 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.346 11.236 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.818 11.051 -8.909 1.00 0.00 H new ATOM 0 HG SER A 54 -1.576 13.282 -8.306 1.00 0.00 H new ATOM 751 N PRO A 55 -3.753 11.841 -5.405 1.00 0.00 N ATOM 752 CA PRO A 55 -2.440 11.357 -5.016 1.00 0.00 C ATOM 753 C PRO A 55 -2.488 9.872 -4.651 1.00 0.00 C ATOM 754 O PRO A 55 -3.554 9.340 -4.343 1.00 0.00 O ATOM 755 CB PRO A 55 -2.022 12.241 -3.853 1.00 0.00 C ATOM 756 CG PRO A 55 -3.301 12.879 -3.333 1.00 0.00 C ATOM 757 CD PRO A 55 -4.386 12.661 -4.376 1.00 0.00 C ATOM 0 HA PRO A 55 -1.713 11.418 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.533 11.656 -3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.310 13.001 -4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.591 12.433 -2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.151 13.944 -3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.252 12.158 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.738 13.608 -4.785 1.00 0.00 H new ATOM 765 N TYR A 56 -1.322 9.245 -4.697 1.00 0.00 N ATOM 766 CA TYR A 56 -1.219 7.833 -4.375 1.00 0.00 C ATOM 767 C TYR A 56 -0.713 7.632 -2.945 1.00 0.00 C ATOM 768 O TYR A 56 0.372 8.094 -2.596 1.00 0.00 O ATOM 769 CB TYR A 56 -0.195 7.251 -5.351 1.00 0.00 C ATOM 770 CG TYR A 56 -0.646 7.273 -6.813 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.971 7.047 -7.129 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.270 7.519 -7.815 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.396 7.068 -8.505 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.155 7.539 -9.190 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.468 7.313 -9.468 1.00 0.00 C ATOM 776 OH TYR A 56 -1.869 7.332 -10.767 1.00 0.00 O ATOM 0 H TYR A 56 -0.440 9.690 -4.953 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.193 7.350 -4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.736 7.810 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.021 6.222 -5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.688 6.855 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.306 7.697 -7.568 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.429 6.893 -8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.552 7.729 -9.984 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.733 6.877 -10.849 1.00 0.00 H new ATOM 786 N TYR A 57 -1.523 6.942 -2.156 1.00 0.00 N ATOM 787 CA TYR A 57 -1.172 6.675 -0.771 1.00 0.00 C ATOM 788 C TYR A 57 -0.630 5.253 -0.609 1.00 0.00 C ATOM 789 O TYR A 57 -1.236 4.295 -1.085 1.00 0.00 O ATOM 790 CB TYR A 57 -2.470 6.807 0.027 1.00 0.00 C ATOM 791 CG TYR A 57 -3.159 8.164 -0.125 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.450 9.248 -0.605 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.488 8.306 0.216 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.099 10.526 -0.748 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.137 9.584 0.073 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.409 10.631 -0.402 1.00 0.00 C ATOM 797 OH TYR A 57 -5.021 11.838 -0.537 1.00 0.00 O ATOM 0 H TYR A 57 -2.422 6.559 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.401 7.366 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.159 6.024 -0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.255 6.637 1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.410 9.137 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.042 7.458 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.557 11.382 -1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.177 9.708 0.337 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.306 12.161 0.343 1.00 0.00 H new ATOM 807 N GLU A 58 0.507 5.161 0.068 1.00 0.00 N ATOM 808 CA GLU A 58 1.138 3.873 0.300 1.00 0.00 C ATOM 809 C GLU A 58 0.820 3.373 1.710 1.00 0.00 C ATOM 810 O GLU A 58 0.945 4.119 2.680 1.00 0.00 O ATOM 811 CB GLU A 58 2.648 3.954 0.073 1.00 0.00 C ATOM 812 CG GLU A 58 3.282 5.013 0.977 1.00 0.00 C ATOM 813 CD GLU A 58 4.807 4.889 0.981 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.313 4.135 1.839 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.433 5.551 0.125 1.00 0.00 O ATOM 0 H GLU A 58 1.007 5.958 0.463 1.00 0.00 H new ATOM 0 HA GLU A 58 0.735 3.158 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.102 2.983 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.850 4.194 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.995 6.007 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.902 4.904 1.993 1.00 0.00 H new ATOM 822 N TRP A 59 0.416 2.114 1.780 1.00 0.00 N ATOM 823 CA TRP A 59 0.080 1.505 3.056 1.00 0.00 C ATOM 824 C TRP A 59 0.494 0.034 3.002 1.00 0.00 C ATOM 825 O TRP A 59 0.417 -0.599 1.949 1.00 0.00 O ATOM 826 CB TRP A 59 -1.402 1.697 3.382 1.00 0.00 C ATOM 827 CG TRP A 59 -1.907 0.820 4.529 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.570 -0.342 4.449 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.760 1.082 5.940 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.860 -0.846 5.700 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.353 0.047 6.636 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.148 2.157 6.608 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.391 -0.014 8.034 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.194 2.081 8.005 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.787 1.046 8.720 1.00 0.00 C ATOM 0 H TRP A 59 0.313 1.498 0.973 1.00 0.00 H new ATOM 0 HA TRP A 59 0.622 1.989 3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.575 2.743 3.635 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.990 1.484 2.489 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.843 -0.823 3.522 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.356 -1.715 5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.679 2.977 6.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.861 -0.835 8.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.737 2.882 8.567 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.781 1.060 9.800 1.00 0.00 H new ATOM 846 N PRO A 60 0.936 -0.484 4.180 1.00 0.00 N ATOM 847 CA PRO A 60 1.361 -1.869 4.277 1.00 0.00 C ATOM 848 C PRO A 60 0.158 -2.815 4.273 1.00 0.00 C ATOM 849 O PRO A 60 -0.920 -2.454 4.741 1.00 0.00 O ATOM 850 CB PRO A 60 2.171 -1.944 5.560 1.00 0.00 C ATOM 851 CG PRO A 60 1.782 -0.718 6.370 1.00 0.00 C ATOM 852 CD PRO A 60 1.040 0.235 5.446 1.00 0.00 C ATOM 0 HA PRO A 60 1.962 -2.184 3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.951 -2.860 6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.240 -1.949 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.151 -1.001 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.668 -0.236 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.056 0.485 5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.582 1.173 5.326 1.00 0.00 H new ATOM 860 N ILE A 61 0.384 -4.005 3.739 1.00 0.00 N ATOM 861 CA ILE A 61 -0.668 -5.006 3.668 1.00 0.00 C ATOM 862 C ILE A 61 -0.260 -6.230 4.491 1.00 0.00 C ATOM 863 O ILE A 61 0.750 -6.868 4.199 1.00 0.00 O ATOM 864 CB ILE A 61 -1.003 -5.329 2.211 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.298 -6.137 2.112 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.167 -6.035 1.523 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.561 -6.579 0.670 1.00 0.00 C ATOM 0 H ILE A 61 1.280 -4.300 3.351 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.589 -4.621 4.105 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.168 -4.390 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.235 -7.012 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.134 -5.536 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.097 -6.253 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.045 -5.389 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.388 -6.966 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.488 -7.152 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.648 -5.701 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.735 -7.200 0.323 1.00 0.00 H new ATOM 879 N LEU A 62 -1.065 -6.518 5.503 1.00 0.00 N ATOM 880 CA LEU A 62 -0.799 -7.653 6.370 1.00 0.00 C ATOM 881 C LEU A 62 -1.444 -8.906 5.774 1.00 0.00 C ATOM 882 O LEU A 62 -2.661 -8.960 5.599 1.00 0.00 O ATOM 883 CB LEU A 62 -1.250 -7.351 7.801 1.00 0.00 C ATOM 884 CG LEU A 62 -0.453 -6.276 8.542 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.153 -5.874 9.842 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.987 -6.729 8.783 1.00 0.00 C ATOM 0 H LEU A 62 -1.901 -5.985 5.742 1.00 0.00 H new ATOM 0 HA LEU A 62 0.273 -7.843 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.296 -7.046 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.202 -8.274 8.379 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.409 -5.388 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.566 -5.109 10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.144 -5.480 9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.248 -6.746 10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.531 -5.946 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.987 -7.639 9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.472 -6.925 7.827 1.00 0.00 H new ATOM 898 N SER A 63 -0.599 -9.882 5.477 1.00 0.00 N ATOM 899 CA SER A 63 -1.071 -11.132 4.904 1.00 0.00 C ATOM 900 C SER A 63 -2.066 -11.801 5.854 1.00 0.00 C ATOM 901 O SER A 63 -2.723 -12.774 5.486 1.00 0.00 O ATOM 902 CB SER A 63 0.095 -12.076 4.607 1.00 0.00 C ATOM 903 OG SER A 63 1.059 -11.479 3.744 1.00 0.00 O ATOM 0 H SER A 63 0.409 -9.833 5.622 1.00 0.00 H new ATOM 0 HA SER A 63 -1.572 -10.909 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.575 -12.365 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.285 -12.989 4.149 1.00 0.00 H new ATOM 0 HG SER A 63 0.672 -11.363 2.851 1.00 0.00 H new ATOM 909 N SER A 64 -2.148 -11.252 7.057 1.00 0.00 N ATOM 910 CA SER A 64 -3.053 -11.783 8.063 1.00 0.00 C ATOM 911 C SER A 64 -4.436 -11.148 7.910 1.00 0.00 C ATOM 912 O SER A 64 -5.427 -11.686 8.401 1.00 0.00 O ATOM 913 CB SER A 64 -2.510 -11.542 9.473 1.00 0.00 C ATOM 914 OG SER A 64 -1.087 -11.485 9.496 1.00 0.00 O ATOM 0 H SER A 64 -1.602 -10.444 7.358 1.00 0.00 H new ATOM 0 HA SER A 64 -3.137 -12.860 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.916 -10.609 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.851 -12.339 10.134 1.00 0.00 H new ATOM 0 HG SER A 64 -0.781 -11.328 10.414 1.00 0.00 H new ATOM 920 N GLY A 65 -4.458 -10.012 7.228 1.00 0.00 N ATOM 921 CA GLY A 65 -5.704 -9.298 7.004 1.00 0.00 C ATOM 922 C GLY A 65 -5.997 -8.333 8.154 1.00 0.00 C ATOM 923 O GLY A 65 -7.153 -8.136 8.525 1.00 0.00 O ATOM 0 H GLY A 65 -3.633 -9.569 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.647 -8.745 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.523 -10.011 6.905 1.00 0.00 H new ATOM 927 N ASP A 66 -4.930 -7.757 8.686 1.00 0.00 N ATOM 928 CA ASP A 66 -5.057 -6.817 9.787 1.00 0.00 C ATOM 929 C ASP A 66 -4.628 -5.426 9.316 1.00 0.00 C ATOM 930 O ASP A 66 -4.382 -5.217 8.129 1.00 0.00 O ATOM 931 CB ASP A 66 -4.161 -7.217 10.960 1.00 0.00 C ATOM 932 CG ASP A 66 -4.633 -8.440 11.748 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.936 -9.458 11.088 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.681 -8.330 12.992 1.00 0.00 O ATOM 0 H ASP A 66 -3.973 -7.923 8.375 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.097 -6.818 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.158 -7.413 10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.084 -6.371 11.643 1.00 0.00 H new ATOM 939 N VAL A 67 -4.552 -4.510 10.271 1.00 0.00 N ATOM 940 CA VAL A 67 -4.157 -3.145 9.969 1.00 0.00 C ATOM 941 C VAL A 67 -2.766 -2.882 10.549 1.00 0.00 C ATOM 942 O VAL A 67 -2.596 -2.822 11.765 1.00 0.00 O ATOM 943 CB VAL A 67 -5.214 -2.167 10.485 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.667 -0.739 10.529 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.488 -2.241 9.641 1.00 0.00 C ATOM 0 H VAL A 67 -4.757 -4.687 11.254 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.094 -2.995 8.891 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.470 -2.458 11.504 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.439 -0.065 10.899 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.803 -0.701 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.368 -0.433 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.223 -1.536 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.254 -1.989 8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.896 -3.251 9.685 1.00 0.00 H new ATOM 955 N TYR A 68 -1.804 -2.730 9.649 1.00 0.00 N ATOM 956 CA TYR A 68 -0.433 -2.475 10.056 1.00 0.00 C ATOM 957 C TYR A 68 -0.383 -1.503 11.237 1.00 0.00 C ATOM 958 O TYR A 68 -1.216 -0.603 11.340 1.00 0.00 O ATOM 959 CB TYR A 68 0.251 -1.827 8.850 1.00 0.00 C ATOM 960 CG TYR A 68 1.626 -1.232 9.159 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.589 -2.003 9.776 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.902 0.078 8.821 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.884 -1.442 10.068 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.196 0.639 9.113 1.00 0.00 C ATOM 965 CZ TYR A 68 4.123 -0.149 9.722 1.00 0.00 C ATOM 966 OH TYR A 68 5.345 0.381 9.997 1.00 0.00 O ATOM 0 H TYR A 68 -1.948 -2.779 8.640 1.00 0.00 H new ATOM 0 HA TYR A 68 0.053 -3.400 10.367 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.358 -2.573 8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.394 -1.040 8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.372 -3.028 10.040 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.148 0.682 8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.647 -2.035 10.550 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.425 1.662 8.854 1.00 0.00 H new ATOM 0 HH TYR A 68 5.233 1.244 10.448 1.00 0.00 H new ATOM 976 N SER A 69 0.602 -1.717 12.097 1.00 0.00 N ATOM 977 CA SER A 69 0.771 -0.871 13.267 1.00 0.00 C ATOM 978 C SER A 69 2.215 -0.952 13.767 1.00 0.00 C ATOM 979 O SER A 69 2.469 -1.456 14.859 1.00 0.00 O ATOM 980 CB SER A 69 -0.200 -1.270 14.380 1.00 0.00 C ATOM 981 OG SER A 69 -0.076 -2.647 14.728 1.00 0.00 O ATOM 0 H SER A 69 1.291 -2.464 12.007 1.00 0.00 H new ATOM 0 HA SER A 69 0.550 0.157 12.981 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.014 -0.655 15.261 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.222 -1.068 14.060 1.00 0.00 H new ATOM 0 HG SER A 69 0.849 -2.836 14.989 1.00 0.00 H new ATOM 987 N GLY A 70 3.122 -0.449 12.943 1.00 0.00 N ATOM 988 CA GLY A 70 4.533 -0.459 13.288 1.00 0.00 C ATOM 989 C GLY A 70 5.330 0.463 12.362 1.00 0.00 C ATOM 990 O GLY A 70 4.846 1.522 11.967 1.00 0.00 O ATOM 0 H GLY A 70 2.907 -0.032 12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.660 -0.140 14.322 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.921 -1.475 13.218 1.00 0.00 H new ATOM 994 N GLY A 71 6.540 0.026 12.043 1.00 0.00 N ATOM 995 CA GLY A 71 7.409 0.798 11.171 1.00 0.00 C ATOM 996 C GLY A 71 7.904 -0.051 9.999 1.00 0.00 C ATOM 997 O GLY A 71 8.099 0.459 8.897 1.00 0.00 O ATOM 0 H GLY A 71 6.939 -0.853 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.871 1.668 10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.261 1.172 11.739 1.00 0.00 H new ATOM 1001 N SER A 72 8.094 -1.333 10.277 1.00 0.00 N ATOM 1002 CA SER A 72 8.562 -2.258 9.259 1.00 0.00 C ATOM 1003 C SER A 72 7.494 -3.318 8.983 1.00 0.00 C ATOM 1004 O SER A 72 7.550 -4.418 9.528 1.00 0.00 O ATOM 1005 CB SER A 72 9.873 -2.924 9.682 1.00 0.00 C ATOM 1006 OG SER A 72 9.811 -3.426 11.014 1.00 0.00 O ATOM 0 H SER A 72 7.932 -1.752 11.193 1.00 0.00 H new ATOM 0 HA SER A 72 8.749 -1.694 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.102 -3.740 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.687 -2.204 9.604 1.00 0.00 H new ATOM 0 HG SER A 72 9.015 -3.989 11.115 1.00 0.00 H new ATOM 1012 N PRO A 73 6.520 -2.938 8.113 1.00 0.00 N ATOM 1013 CA PRO A 73 5.440 -3.843 7.757 1.00 0.00 C ATOM 1014 C PRO A 73 5.926 -4.926 6.793 1.00 0.00 C ATOM 1015 O PRO A 73 5.250 -5.242 5.815 1.00 0.00 O ATOM 1016 CB PRO A 73 4.362 -2.953 7.157 1.00 0.00 C ATOM 1017 CG PRO A 73 5.058 -1.658 6.772 1.00 0.00 C ATOM 1018 CD PRO A 73 6.420 -1.642 7.447 1.00 0.00 C ATOM 0 HA PRO A 73 5.052 -4.393 8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.906 -3.425 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.563 -2.769 7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.168 -1.591 5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.466 -0.798 7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.221 -1.508 6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.498 -0.823 8.162 1.00 0.00 H new ATOM 1026 N GLY A 74 7.097 -5.465 7.101 1.00 0.00 N ATOM 1027 CA GLY A 74 7.683 -6.506 6.274 1.00 0.00 C ATOM 1028 C GLY A 74 8.193 -5.932 4.951 1.00 0.00 C ATOM 1029 O GLY A 74 9.259 -5.321 4.905 1.00 0.00 O ATOM 0 H GLY A 74 7.656 -5.200 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.505 -6.981 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.941 -7.280 6.077 1.00 0.00 H new ATOM 1033 N ALA A 75 7.408 -6.150 3.906 1.00 0.00 N ATOM 1034 CA ALA A 75 7.767 -5.662 2.585 1.00 0.00 C ATOM 1035 C ALA A 75 6.493 -5.371 1.789 1.00 0.00 C ATOM 1036 O ALA A 75 6.441 -4.411 1.022 1.00 0.00 O ATOM 1037 CB ALA A 75 8.667 -6.685 1.890 1.00 0.00 C ATOM 0 H ALA A 75 6.525 -6.658 3.947 1.00 0.00 H new ATOM 0 HA ALA A 75 8.329 -4.731 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.936 -6.319 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.571 -6.834 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.136 -7.632 1.795 1.00 0.00 H new ATOM 1043 N ASP A 76 5.495 -6.218 2.000 1.00 0.00 N ATOM 1044 CA ASP A 76 4.225 -6.064 1.313 1.00 0.00 C ATOM 1045 C ASP A 76 3.613 -4.711 1.678 1.00 0.00 C ATOM 1046 O ASP A 76 3.510 -4.370 2.856 1.00 0.00 O ATOM 1047 CB ASP A 76 3.238 -7.157 1.727 1.00 0.00 C ATOM 1048 CG ASP A 76 3.846 -8.553 1.879 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.638 -8.928 0.987 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.505 -9.214 2.885 1.00 0.00 O ATOM 0 H ASP A 76 5.541 -7.013 2.637 1.00 0.00 H new ATOM 0 HA ASP A 76 4.411 -6.134 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.779 -6.872 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.439 -7.204 0.987 1.00 0.00 H new ATOM 1055 N ARG A 77 3.221 -3.976 0.648 1.00 0.00 N ATOM 1056 CA ARG A 77 2.621 -2.667 0.846 1.00 0.00 C ATOM 1057 C ARG A 77 1.595 -2.382 -0.252 1.00 0.00 C ATOM 1058 O ARG A 77 1.794 -2.759 -1.406 1.00 0.00 O ATOM 1059 CB ARG A 77 3.685 -1.567 0.840 1.00 0.00 C ATOM 1060 CG ARG A 77 4.890 -1.966 1.695 1.00 0.00 C ATOM 1061 CD ARG A 77 4.820 -1.319 3.079 1.00 0.00 C ATOM 1062 NE ARG A 77 6.185 -1.078 3.595 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.926 -2.003 4.221 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.437 -3.237 4.412 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.155 -1.696 4.656 1.00 0.00 N ATOM 0 H ARG A 77 3.307 -4.262 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 77 2.126 -2.672 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.008 -1.374 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.256 -0.639 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.924 -3.051 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.811 -1.665 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.273 -0.378 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.272 -1.966 3.764 1.00 0.00 H new ATOM 0 HE ARG A 77 6.588 -0.150 3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.501 -3.472 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.001 -3.941 4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.528 -0.758 4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.718 -2.401 5.132 1.00 0.00 H new ATOM 1079 N VAL A 78 0.520 -1.716 0.144 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.536 -1.376 -0.792 1.00 0.00 C ATOM 1081 C VAL A 78 -0.526 0.135 -1.039 1.00 0.00 C ATOM 1082 O VAL A 78 -0.306 0.917 -0.115 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.881 -1.887 -0.273 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.839 -2.100 1.243 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.017 -0.937 -0.660 1.00 0.00 C ATOM 0 H VAL A 78 0.358 -1.403 1.101 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.367 -1.864 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.076 -2.851 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.808 -2.463 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.069 -2.833 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.610 -1.156 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.962 -1.325 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.830 0.048 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.070 -0.857 -1.746 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.767 0.500 -2.289 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.789 1.902 -2.668 1.00 0.00 C ATOM 1097 C VAL A 79 -2.179 2.264 -3.194 1.00 0.00 C ATOM 1098 O VAL A 79 -2.757 1.524 -3.989 1.00 0.00 O ATOM 1099 CB VAL A 79 0.325 2.188 -3.678 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.210 3.609 -4.233 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.703 1.952 -3.056 1.00 0.00 C ATOM 0 H VAL A 79 -0.949 -0.151 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.596 2.534 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 79 0.210 1.493 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.013 3.786 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.752 3.728 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.287 4.326 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.476 2.162 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.832 2.611 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.783 0.914 -2.732 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.677 3.399 -2.728 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.989 3.867 -3.142 1.00 0.00 C ATOM 1113 C PHE A 80 -4.036 5.395 -3.192 1.00 0.00 C ATOM 1114 O PHE A 80 -2.996 6.050 -3.249 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.990 3.372 -2.096 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.834 4.033 -0.724 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.722 3.794 0.023 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.806 4.857 -0.252 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.577 4.406 1.296 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.661 5.470 1.021 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.550 5.231 1.768 1.00 0.00 C ATOM 0 H PHE A 80 -2.196 4.009 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.221 3.491 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.001 3.552 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.879 2.294 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.950 3.139 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.689 5.046 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.695 4.217 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.433 6.126 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.440 5.696 2.736 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.252 5.920 -3.171 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.448 7.359 -3.213 1.00 0.00 C ATOM 1133 C ASN A 81 -6.473 7.762 -2.151 1.00 0.00 C ATOM 1134 O ASN A 81 -6.749 6.996 -1.228 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.980 7.802 -4.577 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.591 6.803 -5.668 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.775 7.077 -6.534 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.217 5.633 -5.581 1.00 0.00 N ATOM 0 H ASN A 81 -6.112 5.374 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.485 7.836 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.065 7.896 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.584 8.787 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.025 4.900 -6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.889 5.469 -4.831 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.010 8.961 -2.318 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.998 9.475 -1.385 1.00 0.00 C ATOM 1147 C GLU A 82 -9.410 9.138 -1.870 1.00 0.00 C ATOM 1148 O GLU A 82 -10.385 9.739 -1.420 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.831 10.982 -1.185 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.135 11.380 0.261 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.521 12.018 0.374 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -9.720 13.065 -0.280 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -10.351 11.446 1.114 1.00 0.00 O ATOM 0 H GLU A 82 -6.780 9.592 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.842 8.995 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.813 11.276 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.497 11.518 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.082 10.501 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.378 12.080 0.616 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.476 8.180 -2.781 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.752 7.756 -3.332 1.00 0.00 C ATOM 1162 C ASN A 83 -11.153 6.418 -2.707 1.00 0.00 C ATOM 1163 O ASN A 83 -12.341 6.133 -2.552 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.661 7.562 -4.847 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.206 7.601 -5.318 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.671 6.400 -5.520 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.609 8.651 -5.488 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.666 7.684 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.488 8.529 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.111 6.608 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.232 8.341 -5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.080 9.539 -5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.639 8.641 -5.804 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.142 5.633 -2.366 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.375 4.334 -1.761 1.00 0.00 C ATOM 1176 C ASN A 84 -9.998 3.237 -2.760 1.00 0.00 C ATOM 1177 O ASN A 84 -10.445 2.097 -2.635 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.849 4.152 -1.395 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.674 3.752 -2.620 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.134 4.119 -3.778 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.730 3.149 -2.520 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.159 5.872 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.769 4.270 -0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.944 3.388 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.240 5.079 -0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.088 2.897 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.254 2.897 -3.358 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.180 3.620 -3.729 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.738 2.683 -4.749 1.00 0.00 C ATOM 1190 C GLN A 85 -7.416 2.034 -4.335 1.00 0.00 C ATOM 1191 O GLN A 85 -6.957 2.214 -3.209 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.608 3.374 -6.108 1.00 0.00 C ATOM 1193 CG GLN A 85 -9.984 3.742 -6.669 1.00 0.00 C ATOM 1194 CD GLN A 85 -9.850 4.555 -7.958 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.158 4.095 -9.046 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.377 5.783 -7.776 1.00 0.00 N ATOM 0 H GLN A 85 -8.812 4.566 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.490 1.900 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.000 4.273 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.090 2.717 -6.806 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.556 2.835 -6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.541 4.316 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.139 6.104 -6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.252 6.405 -8.575 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.841 1.292 -5.270 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.580 0.615 -5.017 1.00 0.00 C ATOM 1207 C LEU A 86 -4.634 0.850 -6.197 1.00 0.00 C ATOM 1208 O LEU A 86 -4.987 0.578 -7.343 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.818 -0.864 -4.705 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.566 -1.721 -4.521 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.023 -2.196 -5.871 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.505 -0.976 -3.709 1.00 0.00 C ATOM 0 H LEU A 86 -7.225 1.145 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.097 1.029 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.417 -0.931 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.413 -1.294 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.842 -2.609 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.132 -2.804 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.782 -2.791 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.768 -1.332 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.625 -1.609 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.227 -0.059 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.906 -0.729 -2.726 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.451 1.351 -5.875 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.452 1.625 -6.894 1.00 0.00 C ATOM 1226 C ALA A 87 -1.846 0.306 -7.377 1.00 0.00 C ATOM 1227 O ALA A 87 -1.461 0.182 -8.538 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.397 2.581 -6.332 1.00 0.00 C ATOM 0 H ALA A 87 -3.162 1.574 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.908 2.113 -7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.648 2.786 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.874 3.514 -6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.917 2.125 -5.467 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.780 -0.648 -6.460 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.228 -1.954 -6.776 1.00 0.00 C ATOM 1236 C GLY A 88 -0.748 -2.668 -5.511 1.00 0.00 C ATOM 1237 O GLY A 88 -1.302 -2.465 -4.431 1.00 0.00 O ATOM 0 H GLY A 88 -2.100 -0.542 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.983 -2.561 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.397 -1.843 -7.472 1.00 0.00 H new ATOM 1241 N VAL A 89 0.277 -3.490 -5.686 1.00 0.00 N ATOM 1242 CA VAL A 89 0.838 -4.235 -4.571 1.00 0.00 C ATOM 1243 C VAL A 89 2.363 -4.254 -4.693 1.00 0.00 C ATOM 1244 O VAL A 89 2.923 -5.094 -5.397 1.00 0.00 O ATOM 1245 CB VAL A 89 0.225 -5.635 -4.518 1.00 0.00 C ATOM 1246 CG1 VAL A 89 1.109 -6.590 -3.712 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.195 -5.590 -3.947 1.00 0.00 C ATOM 0 H VAL A 89 0.733 -3.656 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 89 0.594 -3.751 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 89 0.165 -6.014 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.651 -7.579 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.092 -6.656 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.215 -6.216 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.608 -6.598 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.168 -5.182 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.821 -4.958 -4.577 1.00 0.00 H new ATOM 1257 N ILE A 90 2.992 -3.319 -3.996 1.00 0.00 N ATOM 1258 CA ILE A 90 4.442 -3.218 -4.017 1.00 0.00 C ATOM 1259 C ILE A 90 5.020 -4.008 -2.841 1.00 0.00 C ATOM 1260 O ILE A 90 4.311 -4.306 -1.880 1.00 0.00 O ATOM 1261 CB ILE A 90 4.876 -1.752 -4.047 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.786 -1.125 -2.653 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.074 -0.963 -5.084 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.028 0.204 -2.698 1.00 0.00 C ATOM 0 H ILE A 90 2.524 -2.625 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 90 4.843 -3.663 -4.928 1.00 0.00 H new ATOM 0 HB ILE A 90 5.922 -1.712 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.283 -1.812 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.789 -0.963 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.403 0.076 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.233 -1.394 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.014 -1.008 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.978 0.629 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.547 0.897 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.018 0.034 -3.071 1.00 0.00 H new ATOM 1276 N THR A 91 6.302 -4.322 -2.955 1.00 0.00 N ATOM 1277 CA THR A 91 6.984 -5.072 -1.912 1.00 0.00 C ATOM 1278 C THR A 91 8.443 -4.626 -1.805 1.00 0.00 C ATOM 1279 O THR A 91 9.087 -4.342 -2.815 1.00 0.00 O ATOM 1280 CB THR A 91 6.824 -6.562 -2.220 1.00 0.00 C ATOM 1281 OG1 THR A 91 8.075 -7.130 -1.842 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.725 -6.843 -3.720 1.00 0.00 C ATOM 0 H THR A 91 6.887 -4.071 -3.752 1.00 0.00 H new ATOM 0 HA THR A 91 6.545 -4.880 -0.933 1.00 0.00 H new ATOM 0 HB THR A 91 5.933 -6.942 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.065 -8.093 -2.022 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.613 -7.915 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.861 -6.321 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.630 -6.494 -4.216 1.00 0.00 H new ATOM 1290 N HIS A 92 8.925 -4.580 -0.571 1.00 0.00 N ATOM 1291 CA HIS A 92 10.297 -4.174 -0.318 1.00 0.00 C ATOM 1292 C HIS A 92 11.255 -5.139 -1.020 1.00 0.00 C ATOM 1293 O HIS A 92 12.441 -5.186 -0.697 1.00 0.00 O ATOM 1294 CB HIS A 92 10.563 -4.063 1.185 1.00 0.00 C ATOM 1295 CG HIS A 92 10.122 -2.753 1.791 1.00 0.00 C ATOM 1296 ND1 HIS A 92 10.899 -2.046 2.693 1.00 0.00 N ATOM 1297 CD2 HIS A 92 8.981 -2.028 1.616 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.243 -0.947 3.038 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.055 -0.939 2.370 1.00 0.00 N ATOM 0 H HIS A 92 8.390 -4.817 0.264 1.00 0.00 H new ATOM 0 HA HIS A 92 10.468 -3.180 -0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.051 -4.878 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.630 -4.194 1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.156 -2.295 0.972 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.589 -0.191 3.727 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.340 -0.215 2.439 1.00 0.00 H new ATOM 1308 N THR A 93 10.705 -5.885 -1.967 1.00 0.00 N ATOM 1309 CA THR A 93 11.496 -6.845 -2.717 1.00 0.00 C ATOM 1310 C THR A 93 12.180 -6.162 -3.903 1.00 0.00 C ATOM 1311 O THR A 93 11.917 -4.995 -4.188 1.00 0.00 O ATOM 1312 CB THR A 93 10.576 -7.997 -3.128 1.00 0.00 C ATOM 1313 OG1 THR A 93 10.632 -8.896 -2.024 1.00 0.00 O ATOM 1314 CG2 THR A 93 11.138 -8.806 -4.298 1.00 0.00 C ATOM 0 H THR A 93 9.721 -5.844 -2.232 1.00 0.00 H new ATOM 0 HA THR A 93 12.302 -7.254 -2.108 1.00 0.00 H new ATOM 0 HB THR A 93 9.597 -7.601 -3.398 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.062 -9.672 -2.205 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.447 -9.610 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.266 -8.155 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 93 12.102 -9.230 -4.017 1.00 0.00 H new ATOM 1322 N GLY A 94 13.046 -6.919 -4.560 1.00 0.00 N ATOM 1323 CA GLY A 94 13.771 -6.400 -5.709 1.00 0.00 C ATOM 1324 C GLY A 94 13.504 -4.906 -5.896 1.00 0.00 C ATOM 1325 O GLY A 94 12.941 -4.495 -6.910 1.00 0.00 O ATOM 0 H GLY A 94 13.262 -7.886 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.840 -6.568 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.473 -6.942 -6.607 1.00 0.00 H new ATOM 1329 N ALA A 95 13.923 -4.134 -4.905 1.00 0.00 N ATOM 1330 CA ALA A 95 13.736 -2.693 -4.949 1.00 0.00 C ATOM 1331 C ALA A 95 15.009 -2.004 -4.456 1.00 0.00 C ATOM 1332 O ALA A 95 15.011 -1.379 -3.396 1.00 0.00 O ATOM 1333 CB ALA A 95 12.508 -2.312 -4.119 1.00 0.00 C ATOM 0 H ALA A 95 14.391 -4.478 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 95 13.555 -2.360 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.368 -1.232 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.626 -2.805 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.655 -2.628 -3.086 1.00 0.00 H new ATOM 1339 N SER A 96 16.063 -2.140 -5.248 1.00 0.00 N ATOM 1340 CA SER A 96 17.340 -1.537 -4.905 1.00 0.00 C ATOM 1341 C SER A 96 17.169 -0.030 -4.700 1.00 0.00 C ATOM 1342 O SER A 96 18.062 0.633 -4.175 1.00 0.00 O ATOM 1343 CB SER A 96 18.386 -1.810 -5.988 1.00 0.00 C ATOM 1344 OG SER A 96 19.702 -1.483 -5.554 1.00 0.00 O ATOM 0 H SER A 96 16.059 -2.659 -6.126 1.00 0.00 H new ATOM 0 HA SER A 96 17.692 -1.986 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.349 -2.862 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.144 -1.231 -6.880 1.00 0.00 H new ATOM 0 HG SER A 96 19.666 -0.710 -4.953 1.00 0.00 H new ATOM 1350 N GLY A 97 16.017 0.465 -5.125 1.00 0.00 N ATOM 1351 CA GLY A 97 15.718 1.882 -4.995 1.00 0.00 C ATOM 1352 C GLY A 97 14.570 2.111 -4.010 1.00 0.00 C ATOM 1353 O GLY A 97 14.801 2.331 -2.822 1.00 0.00 O ATOM 0 H GLY A 97 15.279 -0.089 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.606 2.415 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.453 2.293 -5.969 1.00 0.00 H new ATOM 1357 N ASN A 98 13.357 2.052 -4.540 1.00 0.00 N ATOM 1358 CA ASN A 98 12.172 2.250 -3.723 1.00 0.00 C ATOM 1359 C ASN A 98 11.691 0.899 -3.193 1.00 0.00 C ATOM 1360 O ASN A 98 10.767 0.304 -3.746 1.00 0.00 O ATOM 1361 CB ASN A 98 11.037 2.870 -4.540 1.00 0.00 C ATOM 1362 CG ASN A 98 9.985 3.502 -3.626 1.00 0.00 C ATOM 1363 OD1 ASN A 98 10.123 3.184 -2.343 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 9.108 4.232 -4.059 1.00 0.00 N flip ATOM 0 H ASN A 98 13.169 1.870 -5.526 1.00 0.00 H new ATOM 0 HA ASN A 98 12.435 2.921 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.440 3.626 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.572 2.105 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.060 4.435 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.423 4.639 -3.422 1.00 0.00 H new ATOM 1371 N ASN A 99 12.339 0.452 -2.128 1.00 0.00 N ATOM 1372 CA ASN A 99 11.990 -0.820 -1.517 1.00 0.00 C ATOM 1373 C ASN A 99 10.521 -1.135 -1.812 1.00 0.00 C ATOM 1374 O ASN A 99 9.746 -1.409 -0.897 1.00 0.00 O ATOM 1375 CB ASN A 99 12.166 -0.767 0.003 1.00 0.00 C ATOM 1376 CG ASN A 99 13.525 -1.334 0.416 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.471 -1.201 -0.509 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 13.705 -1.856 1.504 1.00 0.00 N flip ATOM 0 H ASN A 99 13.105 0.948 -1.672 1.00 0.00 H new ATOM 0 HA ASN A 99 12.647 -1.585 -1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.078 0.263 0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.369 -1.334 0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.935 -1.926 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.625 -2.222 1.748 1.00 0.00 H new ATOM 1385 N PHE A 100 10.185 -1.086 -3.093 1.00 0.00 N ATOM 1386 CA PHE A 100 8.824 -1.363 -3.520 1.00 0.00 C ATOM 1387 C PHE A 100 8.795 -1.873 -4.962 1.00 0.00 C ATOM 1388 O PHE A 100 9.590 -1.437 -5.793 1.00 0.00 O ATOM 1389 CB PHE A 100 8.053 -0.044 -3.442 1.00 0.00 C ATOM 1390 CG PHE A 100 7.808 0.451 -2.014 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.496 -0.437 -1.033 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.902 1.776 -1.728 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.268 0.021 0.293 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.672 2.235 -0.404 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.361 1.347 0.579 1.00 0.00 C ATOM 0 H PHE A 100 10.831 -0.859 -3.849 1.00 0.00 H new ATOM 0 HA PHE A 100 8.383 -2.130 -2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.604 0.720 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.093 -0.166 -3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.421 -1.490 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.152 2.480 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.021 -0.684 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.744 3.288 -0.177 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.188 1.695 1.586 1.00 0.00 H new ATOM 1405 N VAL A 101 7.871 -2.788 -5.214 1.00 0.00 N ATOM 1406 CA VAL A 101 7.728 -3.361 -6.541 1.00 0.00 C ATOM 1407 C VAL A 101 6.440 -4.185 -6.600 1.00 0.00 C ATOM 1408 O VAL A 101 6.193 -5.021 -5.733 1.00 0.00 O ATOM 1409 CB VAL A 101 8.975 -4.174 -6.897 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.136 -3.255 -7.282 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.368 -5.105 -5.750 1.00 0.00 C ATOM 0 H VAL A 101 7.214 -3.147 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 101 7.645 -2.574 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 101 8.737 -4.793 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.010 -3.857 -7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.853 -2.653 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.374 -2.599 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.257 -5.671 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.579 -4.515 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.549 -5.794 -5.544 1.00 0.00 H new ATOM 1421 N GLU A 102 5.652 -3.919 -7.632 1.00 0.00 N ATOM 1422 CA GLU A 102 4.395 -4.626 -7.815 1.00 0.00 C ATOM 1423 C GLU A 102 4.602 -6.132 -7.634 1.00 0.00 C ATOM 1424 O GLU A 102 5.275 -6.771 -8.442 1.00 0.00 O ATOM 1425 CB GLU A 102 3.787 -4.316 -9.185 1.00 0.00 C ATOM 1426 CG GLU A 102 4.865 -3.874 -10.176 1.00 0.00 C ATOM 1427 CD GLU A 102 4.402 -4.085 -11.619 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.579 -3.265 -12.077 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.883 -5.062 -12.232 1.00 0.00 O ATOM 0 H GLU A 102 5.859 -3.224 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 102 3.692 -4.282 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.276 -5.199 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.037 -3.532 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.102 -2.822 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.781 -4.437 -9.998 1.00 0.00 H new ATOM 1436 N CYS A 103 4.010 -6.654 -6.570 1.00 0.00 N ATOM 1437 CA CYS A 103 4.121 -8.072 -6.274 1.00 0.00 C ATOM 1438 C CYS A 103 3.678 -8.858 -7.510 1.00 0.00 C ATOM 1439 O CYS A 103 3.486 -8.282 -8.579 1.00 0.00 O ATOM 1440 CB CYS A 103 3.310 -8.455 -5.034 1.00 0.00 C ATOM 1441 SG CYS A 103 3.885 -7.691 -3.474 1.00 0.00 S ATOM 0 H CYS A 103 3.452 -6.121 -5.903 1.00 0.00 H new ATOM 0 HA CYS A 103 5.157 -8.317 -6.041 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.269 -8.175 -5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.335 -9.539 -4.922 1.00 0.00 H new ATOM 0 HG CYS A 103 2.998 -7.884 -2.543 1.00 0.00 H new ATOM 1446 N THR A 104 3.530 -10.161 -7.321 1.00 0.00 N ATOM 1447 CA THR A 104 3.115 -11.030 -8.408 1.00 0.00 C ATOM 1448 C THR A 104 1.648 -11.431 -8.240 1.00 0.00 C ATOM 1449 O THR A 104 0.759 -10.795 -8.803 1.00 0.00 O ATOM 1450 CB THR A 104 4.070 -12.225 -8.449 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.865 -12.877 -7.198 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.540 -11.802 -8.412 1.00 0.00 C ATOM 0 H THR A 104 3.690 -10.635 -6.432 1.00 0.00 H new ATOM 0 HA THR A 104 3.171 -10.517 -9.368 1.00 0.00 H new ATOM 0 HB THR A 104 3.883 -12.808 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.327 -12.380 -6.491 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.174 -12.688 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.758 -11.169 -9.272 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.736 -11.248 -7.494 1.00 0.00 H new