USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 679 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 91 THR OG1 : rot 78:sc= 2.1 USER MOD Set 1.2: A 93 THR OG1 : rot 81:sc= 0.625 USER MOD Set 2.1: A 81 ASN : amide:sc= -28.1! C(o=-58!,f=-29!) USER MOD Set 2.2: A 83 ASN : amide:sc= -22.3! C(o=-58!,f=-29!) USER MOD Set 2.3: A 85 GLN : amide:sc= -7.78! K(o=-58!,f=-29) USER MOD Set 3.1: A 36 ASN : amide:sc= -4.44! C(o=-17!,f=-18!) USER MOD Set 3.2: A 68 TYR OH : rot 121:sc= -12.8! USER MOD Set 4.1: A 27 HIS : no HD1:sc= -7.14! C(o=-12!,f=-17!) USER MOD Set 4.2: A 57 TYR OH : rot -23:sc= -4.9! USER MOD Set 5.1: A 37 SER OG : rot 60:sc= 1 USER MOD Set 5.2: A 40 HIS : no HE2:sc= -7.91! C(o=-6.9!,f=-7.2!) USER MOD Set 6.1: A 6 CYS SG : rot 21:sc= -26.9! USER MOD Set 6.2: A 9 ASN : amide:sc= -16.3! C(o=-88!,f=-91!) USER MOD Set 6.3: A 11 TYR OH : rot 45:sc= -5.86! USER MOD Set 6.4: A 63 SER OG : rot 45:sc= 0.0473 USER MOD Set 6.5: A 103 CYS SG : rot -168:sc= -39.2! USER MOD Set 7.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 2 CYS SG : rot 180:sc= 0.929 USER MOD Set 7.3: A 10 CYS SG : rot 106:sc= -7.44! USER MOD Single : A 4 TYR OH : rot -76:sc= 0.383 USER MOD Single : A 5 THR OG1 : rot -73:sc= -0.288 USER MOD Single : A 8 SER OG : rot 63:sc= 1.02 USER MOD Single : A 12 SER OG : rot 67:sc= 0.131 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= -17.5! C(o=-17!,f=-22!) USER MOD Single : A 24 TYR OH : rot 43:sc= -4.86! USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.0614 (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 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 36:sc= -4.13! USER MOD Single : A 43 ASN : amide:sc= -0.987 K(o=-0.99,f=-0.025) USER MOD Single : A 44 ASN : amide:sc= -2.77! K(o=-2.8!,f=-0.7) 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= -0.0824 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -43:sc= 0.439 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 67:sc= 0.456 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -15.3! C(o=-15!,f=-8.3!) USER MOD Single : A 92 HIS : no HD1:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 96 SER OG : rot 1:sc= 1.06 USER MOD Single : A 98 ASN : amide:sc= -4.18! C(o=-4.2!,f=-1.9!) USER MOD Single : A 99 ASN : amide:sc= -15.8! C(o=-16!,f=-8.5!) USER MOD Single : A 104 THR OG1 : rot -63:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.583 -15.948 -7.345 1.00 0.00 N ATOM 2 CA ALA A 1 -7.768 -14.507 -7.371 1.00 0.00 C ATOM 3 C ALA A 1 -6.694 -13.844 -6.505 1.00 0.00 C ATOM 4 O ALA A 1 -6.919 -13.579 -5.325 1.00 0.00 O ATOM 5 CB ALA A 1 -9.185 -14.164 -6.905 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.311 -16.402 -7.932 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.641 -16.184 -7.717 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.664 -16.291 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.657 -14.125 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.323 -13.083 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.910 -14.635 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.332 -14.530 -5.889 1.00 0.00 H new ATOM 11 N CYS A 2 -5.550 -13.593 -7.126 1.00 0.00 N ATOM 12 CA CYS A 2 -4.441 -12.966 -6.427 1.00 0.00 C ATOM 13 C CYS A 2 -4.108 -11.652 -7.137 1.00 0.00 C ATOM 14 O CYS A 2 -2.976 -11.448 -7.572 1.00 0.00 O ATOM 15 CB CYS A 2 -3.228 -13.894 -6.344 1.00 0.00 C ATOM 16 SG CYS A 2 -3.523 -15.598 -6.941 1.00 0.00 S ATOM 0 H CYS A 2 -5.368 -13.813 -8.105 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.727 -12.758 -5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.414 -13.457 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.894 -13.940 -5.308 1.00 0.00 H new ATOM 0 HG CYS A 2 -2.431 -16.293 -6.826 1.00 0.00 H new ATOM 21 N ASP A 3 -5.114 -10.796 -7.233 1.00 0.00 N ATOM 22 CA ASP A 3 -4.942 -9.508 -7.882 1.00 0.00 C ATOM 23 C ASP A 3 -3.556 -8.953 -7.545 1.00 0.00 C ATOM 24 O ASP A 3 -2.962 -8.231 -8.344 1.00 0.00 O ATOM 25 CB ASP A 3 -5.987 -8.501 -7.395 1.00 0.00 C ATOM 26 CG ASP A 3 -7.441 -8.912 -7.633 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.760 -10.079 -7.317 1.00 0.00 O ATOM 28 OD2 ASP A 3 -8.201 -8.049 -8.123 1.00 0.00 O ATOM 0 H ASP A 3 -6.052 -10.969 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.056 -9.654 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.842 -8.337 -6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.809 -7.547 -7.891 1.00 0.00 H new ATOM 33 N TYR A 4 -3.084 -9.311 -6.361 1.00 0.00 N ATOM 34 CA TYR A 4 -1.779 -8.857 -5.908 1.00 0.00 C ATOM 35 C TYR A 4 -1.011 -9.992 -5.225 1.00 0.00 C ATOM 36 O TYR A 4 -1.427 -10.484 -4.177 1.00 0.00 O ATOM 37 CB TYR A 4 -2.048 -7.751 -4.886 1.00 0.00 C ATOM 38 CG TYR A 4 -2.867 -6.582 -5.435 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.244 -5.577 -6.146 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.229 -6.532 -5.221 1.00 0.00 C ATOM 41 CE1 TYR A 4 -3.014 -4.476 -6.663 1.00 0.00 C ATOM 42 CE2 TYR A 4 -5.000 -5.431 -5.738 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.354 -4.457 -6.434 1.00 0.00 C ATOM 44 OH TYR A 4 -5.082 -3.417 -6.922 1.00 0.00 O ATOM 0 H TYR A 4 -3.581 -9.910 -5.701 1.00 0.00 H new ATOM 0 HA TYR A 4 -1.179 -8.510 -6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.573 -8.179 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -1.095 -7.372 -4.517 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.178 -5.616 -6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.717 -7.319 -4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.538 -3.683 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.067 -5.380 -5.577 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.938 -2.626 -6.362 1.00 0.00 H new ATOM 54 N THR A 5 0.096 -10.372 -5.846 1.00 0.00 N ATOM 55 CA THR A 5 0.925 -11.438 -5.312 1.00 0.00 C ATOM 56 C THR A 5 2.365 -10.953 -5.129 1.00 0.00 C ATOM 57 O THR A 5 3.092 -10.774 -6.105 1.00 0.00 O ATOM 58 CB THR A 5 0.805 -12.644 -6.246 1.00 0.00 C ATOM 59 OG1 THR A 5 -0.477 -13.189 -5.945 1.00 0.00 O ATOM 60 CG2 THR A 5 1.781 -13.765 -5.883 1.00 0.00 C ATOM 0 H THR A 5 0.438 -9.960 -6.714 1.00 0.00 H new ATOM 0 HA THR A 5 0.588 -11.741 -4.321 1.00 0.00 H new ATOM 0 HB THR A 5 0.983 -12.327 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.446 -13.636 -5.073 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.654 -14.596 -6.576 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.803 -13.392 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.582 -14.106 -4.867 1.00 0.00 H new ATOM 68 N CYS A 6 2.732 -10.752 -3.872 1.00 0.00 N ATOM 69 CA CYS A 6 4.072 -10.291 -3.548 1.00 0.00 C ATOM 70 C CYS A 6 5.009 -11.501 -3.547 1.00 0.00 C ATOM 71 O CYS A 6 5.562 -11.861 -2.509 1.00 0.00 O ATOM 72 CB CYS A 6 4.105 -9.543 -2.215 1.00 0.00 C ATOM 73 SG CYS A 6 3.570 -7.794 -2.302 1.00 0.00 S ATOM 0 H CYS A 6 2.125 -10.900 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 6 4.405 -9.575 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.467 -10.068 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.120 -9.578 -1.820 1.00 0.00 H new ATOM 0 HG CYS A 6 2.855 -7.612 -3.372 1.00 0.00 H new ATOM 78 N GLY A 7 5.159 -12.093 -4.722 1.00 0.00 N ATOM 79 CA GLY A 7 6.019 -13.255 -4.871 1.00 0.00 C ATOM 80 C GLY A 7 5.271 -14.542 -4.516 1.00 0.00 C ATOM 81 O GLY A 7 5.212 -15.471 -5.320 1.00 0.00 O ATOM 0 H GLY A 7 4.699 -11.790 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.383 -13.313 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.893 -13.149 -4.228 1.00 0.00 H new ATOM 85 N SER A 8 4.717 -14.554 -3.313 1.00 0.00 N ATOM 86 CA SER A 8 3.974 -15.711 -2.844 1.00 0.00 C ATOM 87 C SER A 8 2.822 -15.262 -1.941 1.00 0.00 C ATOM 88 O SER A 8 2.635 -15.803 -0.852 1.00 0.00 O ATOM 89 CB SER A 8 4.886 -16.684 -2.095 1.00 0.00 C ATOM 90 OG SER A 8 4.904 -16.430 -0.693 1.00 0.00 O ATOM 0 H SER A 8 4.768 -13.781 -2.649 1.00 0.00 H new ATOM 0 HA SER A 8 3.567 -16.231 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.550 -17.705 -2.274 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.899 -16.608 -2.490 1.00 0.00 H new ATOM 0 HG SER A 8 4.008 -16.574 -0.323 1.00 0.00 H new ATOM 96 N ASN A 9 2.081 -14.278 -2.427 1.00 0.00 N ATOM 97 CA ASN A 9 0.953 -13.751 -1.678 1.00 0.00 C ATOM 98 C ASN A 9 -0.310 -13.835 -2.539 1.00 0.00 C ATOM 99 O ASN A 9 -0.306 -14.469 -3.593 1.00 0.00 O ATOM 100 CB ASN A 9 1.175 -12.283 -1.308 1.00 0.00 C ATOM 101 CG ASN A 9 2.541 -12.086 -0.647 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.652 -11.699 0.505 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.571 -12.372 -1.437 1.00 0.00 N ATOM 0 H ASN A 9 2.239 -13.832 -3.330 1.00 0.00 H new ATOM 0 HA ASN A 9 0.848 -14.341 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.107 -11.664 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.388 -11.952 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.524 -12.272 -1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.408 -12.691 -2.392 1.00 0.00 H new ATOM 110 N CYS A 10 -1.359 -13.185 -2.058 1.00 0.00 N ATOM 111 CA CYS A 10 -2.626 -13.179 -2.771 1.00 0.00 C ATOM 112 C CYS A 10 -3.562 -12.186 -2.077 1.00 0.00 C ATOM 113 O CYS A 10 -4.498 -12.588 -1.388 1.00 0.00 O ATOM 114 CB CYS A 10 -3.237 -14.579 -2.851 1.00 0.00 C ATOM 115 SG CYS A 10 -4.733 -14.704 -3.898 1.00 0.00 S ATOM 0 H CYS A 10 -1.358 -12.659 -1.184 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.465 -12.866 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.484 -15.268 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.487 -14.909 -1.843 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.434 -15.302 -5.013 1.00 0.00 H new ATOM 120 N TYR A 11 -3.276 -10.909 -2.284 1.00 0.00 N ATOM 121 CA TYR A 11 -4.080 -9.856 -1.687 1.00 0.00 C ATOM 122 C TYR A 11 -5.287 -9.523 -2.567 1.00 0.00 C ATOM 123 O TYR A 11 -5.577 -8.352 -2.811 1.00 0.00 O ATOM 124 CB TYR A 11 -3.172 -8.628 -1.601 1.00 0.00 C ATOM 125 CG TYR A 11 -1.753 -8.936 -1.119 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.522 -9.214 0.213 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.704 -8.936 -2.015 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.187 -9.504 0.667 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.632 -9.226 -1.562 1.00 0.00 C ATOM 130 CZ TYR A 11 0.824 -9.496 -0.243 1.00 0.00 C ATOM 131 OH TYR A 11 2.085 -9.770 0.186 1.00 0.00 O ATOM 0 H TYR A 11 -2.499 -10.580 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.456 -10.166 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.117 -8.160 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.624 -7.901 -0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.343 -9.214 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.885 -8.718 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.007 -9.723 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.462 -9.229 -2.253 1.00 0.00 H new ATOM 0 HH TYR A 11 2.066 -10.550 0.779 1.00 0.00 H new ATOM 141 N SER A 12 -5.958 -10.573 -3.018 1.00 0.00 N ATOM 142 CA SER A 12 -7.126 -10.406 -3.865 1.00 0.00 C ATOM 143 C SER A 12 -7.793 -9.058 -3.578 1.00 0.00 C ATOM 144 O SER A 12 -7.705 -8.543 -2.465 1.00 0.00 O ATOM 145 CB SER A 12 -8.125 -11.546 -3.657 1.00 0.00 C ATOM 146 OG SER A 12 -8.808 -11.884 -4.861 1.00 0.00 O ATOM 0 H SER A 12 -5.715 -11.542 -2.813 1.00 0.00 H new ATOM 0 HA SER A 12 -6.800 -10.429 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.600 -12.424 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.851 -11.257 -2.897 1.00 0.00 H new ATOM 0 HG SER A 12 -8.174 -12.273 -5.499 1.00 0.00 H new ATOM 152 N SER A 13 -8.445 -8.527 -4.602 1.00 0.00 N ATOM 153 CA SER A 13 -9.127 -7.250 -4.474 1.00 0.00 C ATOM 154 C SER A 13 -9.793 -7.149 -3.100 1.00 0.00 C ATOM 155 O SER A 13 -10.059 -6.050 -2.615 1.00 0.00 O ATOM 156 CB SER A 13 -10.164 -7.066 -5.583 1.00 0.00 C ATOM 157 OG SER A 13 -11.414 -7.663 -5.249 1.00 0.00 O ATOM 0 H SER A 13 -8.516 -8.958 -5.524 1.00 0.00 H new ATOM 0 HA SER A 13 -8.388 -6.455 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.309 -6.002 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.788 -7.505 -6.507 1.00 0.00 H new ATOM 0 HG SER A 13 -12.050 -7.522 -5.981 1.00 0.00 H new ATOM 163 N SER A 14 -10.045 -8.309 -2.513 1.00 0.00 N ATOM 164 CA SER A 14 -10.676 -8.364 -1.205 1.00 0.00 C ATOM 165 C SER A 14 -9.625 -8.174 -0.108 1.00 0.00 C ATOM 166 O SER A 14 -9.946 -7.731 0.994 1.00 0.00 O ATOM 167 CB SER A 14 -11.415 -9.689 -1.006 1.00 0.00 C ATOM 168 OG SER A 14 -12.130 -9.721 0.227 1.00 0.00 O ATOM 0 H SER A 14 -9.824 -9.218 -2.919 1.00 0.00 H new ATOM 0 HA SER A 14 -11.407 -7.557 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.109 -9.845 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.699 -10.511 -1.032 1.00 0.00 H new ATOM 0 HG SER A 14 -12.589 -10.582 0.316 1.00 0.00 H new ATOM 174 N ASP A 15 -8.392 -8.517 -0.450 1.00 0.00 N ATOM 175 CA ASP A 15 -7.292 -8.388 0.492 1.00 0.00 C ATOM 176 C ASP A 15 -6.759 -6.955 0.455 1.00 0.00 C ATOM 177 O ASP A 15 -6.199 -6.472 1.438 1.00 0.00 O ATOM 178 CB ASP A 15 -6.143 -9.330 0.127 1.00 0.00 C ATOM 179 CG ASP A 15 -6.089 -10.629 0.935 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.752 -11.595 0.500 1.00 0.00 O ATOM 181 OD2 ASP A 15 -5.386 -10.626 1.969 1.00 0.00 O ATOM 0 H ASP A 15 -8.130 -8.884 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.666 -8.641 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.221 -9.581 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.201 -8.798 0.260 1.00 0.00 H new ATOM 186 N VAL A 16 -6.952 -6.314 -0.688 1.00 0.00 N ATOM 187 CA VAL A 16 -6.497 -4.946 -0.866 1.00 0.00 C ATOM 188 C VAL A 16 -7.379 -4.009 -0.037 1.00 0.00 C ATOM 189 O VAL A 16 -6.929 -3.453 0.963 1.00 0.00 O ATOM 190 CB VAL A 16 -6.481 -4.590 -2.354 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.290 -3.085 -2.555 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.402 -5.383 -3.095 1.00 0.00 C ATOM 0 H VAL A 16 -7.418 -6.717 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.474 -4.833 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.448 -4.865 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.282 -2.858 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.108 -2.547 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.343 -2.776 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.411 -5.112 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.425 -5.153 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.600 -6.450 -2.993 1.00 0.00 H new ATOM 202 N SER A 17 -8.618 -3.865 -0.484 1.00 0.00 N ATOM 203 CA SER A 17 -9.566 -3.004 0.205 1.00 0.00 C ATOM 204 C SER A 17 -9.378 -3.125 1.718 1.00 0.00 C ATOM 205 O SER A 17 -9.273 -2.119 2.417 1.00 0.00 O ATOM 206 CB SER A 17 -11.005 -3.351 -0.182 1.00 0.00 C ATOM 207 OG SER A 17 -11.947 -2.472 0.427 1.00 0.00 O ATOM 0 H SER A 17 -8.988 -4.329 -1.314 1.00 0.00 H new ATOM 0 HA SER A 17 -9.376 -1.974 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.111 -3.302 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.223 -4.377 0.114 1.00 0.00 H new ATOM 0 HG SER A 17 -12.854 -2.725 0.155 1.00 0.00 H new ATOM 213 N THR A 18 -9.343 -4.366 2.180 1.00 0.00 N ATOM 214 CA THR A 18 -9.171 -4.632 3.598 1.00 0.00 C ATOM 215 C THR A 18 -7.992 -3.830 4.152 1.00 0.00 C ATOM 216 O THR A 18 -8.125 -3.139 5.159 1.00 0.00 O ATOM 217 CB THR A 18 -9.018 -6.143 3.780 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.351 -6.607 3.980 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.299 -6.506 5.081 1.00 0.00 C ATOM 0 H THR A 18 -9.431 -5.199 1.597 1.00 0.00 H new ATOM 0 HA THR A 18 -10.040 -4.308 4.170 1.00 0.00 H new ATOM 0 HB THR A 18 -8.469 -6.556 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.344 -7.579 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.217 -7.590 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.302 -6.065 5.081 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.865 -6.122 5.929 1.00 0.00 H new ATOM 227 N ALA A 19 -6.863 -3.951 3.468 1.00 0.00 N ATOM 228 CA ALA A 19 -5.660 -3.246 3.879 1.00 0.00 C ATOM 229 C ALA A 19 -5.913 -1.738 3.817 1.00 0.00 C ATOM 230 O ALA A 19 -5.545 -1.006 4.735 1.00 0.00 O ATOM 231 CB ALA A 19 -4.488 -3.678 2.996 1.00 0.00 C ATOM 0 H ALA A 19 -6.756 -4.526 2.633 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.401 -3.495 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.586 -3.149 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.332 -4.752 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.710 -3.441 1.955 1.00 0.00 H new ATOM 237 N GLN A 20 -6.538 -1.319 2.727 1.00 0.00 N ATOM 238 CA GLN A 20 -6.844 0.088 2.534 1.00 0.00 C ATOM 239 C GLN A 20 -7.669 0.618 3.708 1.00 0.00 C ATOM 240 O GLN A 20 -7.261 1.562 4.383 1.00 0.00 O ATOM 241 CB GLN A 20 -7.569 0.314 1.207 1.00 0.00 C ATOM 242 CG GLN A 20 -6.986 -0.572 0.104 1.00 0.00 C ATOM 243 CD GLN A 20 -7.729 -0.364 -1.217 1.00 0.00 C ATOM 244 OE1 GLN A 20 -8.308 -1.275 -1.783 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.679 0.884 -1.675 1.00 0.00 N ATOM 0 H GLN A 20 -6.841 -1.929 1.968 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.906 0.642 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.631 0.099 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.487 1.362 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.929 -0.344 -0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.051 -1.619 0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.176 1.600 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.144 1.125 -2.550 1.00 0.00 H new ATOM 254 N ALA A 21 -8.815 -0.012 3.917 1.00 0.00 N ATOM 255 CA ALA A 21 -9.702 0.383 4.997 1.00 0.00 C ATOM 256 C ALA A 21 -8.868 0.877 6.181 1.00 0.00 C ATOM 257 O ALA A 21 -9.232 1.852 6.837 1.00 0.00 O ATOM 258 CB ALA A 21 -10.607 -0.792 5.372 1.00 0.00 C ATOM 0 H ALA A 21 -9.150 -0.795 3.355 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.347 1.203 4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.272 -0.495 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.199 -1.086 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.995 -1.634 5.695 1.00 0.00 H new ATOM 264 N ALA A 22 -7.764 0.183 6.416 1.00 0.00 N ATOM 265 CA ALA A 22 -6.874 0.540 7.509 1.00 0.00 C ATOM 266 C ALA A 22 -6.146 1.840 7.164 1.00 0.00 C ATOM 267 O ALA A 22 -6.261 2.830 7.885 1.00 0.00 O ATOM 268 CB ALA A 22 -5.909 -0.616 7.779 1.00 0.00 C ATOM 0 H ALA A 22 -7.465 -0.624 5.869 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.440 0.713 8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.242 -0.349 8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.475 -1.507 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.322 -0.816 6.883 1.00 0.00 H new ATOM 274 N GLY A 23 -5.411 1.795 6.062 1.00 0.00 N ATOM 275 CA GLY A 23 -4.664 2.958 5.614 1.00 0.00 C ATOM 276 C GLY A 23 -5.598 4.139 5.343 1.00 0.00 C ATOM 277 O GLY A 23 -5.265 5.282 5.653 1.00 0.00 O ATOM 0 H GLY A 23 -5.317 0.972 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.930 3.236 6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.111 2.712 4.708 1.00 0.00 H new ATOM 281 N TYR A 24 -6.748 3.822 4.766 1.00 0.00 N ATOM 282 CA TYR A 24 -7.733 4.844 4.450 1.00 0.00 C ATOM 283 C TYR A 24 -8.342 5.432 5.724 1.00 0.00 C ATOM 284 O TYR A 24 -8.211 6.626 5.986 1.00 0.00 O ATOM 285 CB TYR A 24 -8.831 4.138 3.652 1.00 0.00 C ATOM 286 CG TYR A 24 -9.398 4.973 2.502 1.00 0.00 C ATOM 287 CD1 TYR A 24 -10.409 5.881 2.742 1.00 0.00 C ATOM 288 CD2 TYR A 24 -8.900 4.816 1.224 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.943 6.668 1.660 1.00 0.00 C ATOM 290 CE2 TYR A 24 -9.434 5.602 0.142 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.429 6.488 0.413 1.00 0.00 C ATOM 292 OH TYR A 24 -10.934 7.230 -0.609 1.00 0.00 O ATOM 0 H TYR A 24 -7.020 2.873 4.509 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.273 5.662 3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.432 3.207 3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.643 3.871 4.328 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -10.800 6.002 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.110 4.104 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.733 7.384 1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.053 5.490 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.048 8.158 -0.314 1.00 0.00 H new ATOM 302 N LYS A 25 -8.996 4.564 6.482 1.00 0.00 N ATOM 303 CA LYS A 25 -9.627 4.983 7.723 1.00 0.00 C ATOM 304 C LYS A 25 -8.733 6.007 8.425 1.00 0.00 C ATOM 305 O LYS A 25 -9.148 7.142 8.657 1.00 0.00 O ATOM 306 CB LYS A 25 -9.964 3.766 8.589 1.00 0.00 C ATOM 307 CG LYS A 25 -10.680 4.190 9.873 1.00 0.00 C ATOM 308 CD LYS A 25 -12.092 4.699 9.571 1.00 0.00 C ATOM 309 CE LYS A 25 -12.909 4.845 10.856 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.008 6.268 11.249 1.00 0.00 N ATOM 0 H LYS A 25 -9.103 3.574 6.262 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.578 5.476 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.595 3.078 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.049 3.228 8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.733 3.345 10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.107 4.971 10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.034 5.661 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.594 4.009 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.907 4.432 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.443 4.272 11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.119 6.336 12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.144 6.769 10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.831 6.700 10.783 1.00 0.00 H new ATOM 324 N LEU A 26 -7.523 5.572 8.740 1.00 0.00 N ATOM 325 CA LEU A 26 -6.567 6.438 9.410 1.00 0.00 C ATOM 326 C LEU A 26 -6.294 7.662 8.534 1.00 0.00 C ATOM 327 O LEU A 26 -6.088 8.762 9.045 1.00 0.00 O ATOM 328 CB LEU A 26 -5.306 5.657 9.784 1.00 0.00 C ATOM 329 CG LEU A 26 -4.159 6.478 10.376 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.139 6.371 11.903 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.820 6.074 9.756 1.00 0.00 C ATOM 0 H LEU A 26 -7.182 4.631 8.544 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.979 6.803 10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.581 4.884 10.501 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.940 5.148 8.892 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.326 7.526 10.129 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.314 6.964 12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.080 6.744 12.306 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.008 5.328 12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.021 6.672 10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.632 5.018 9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.852 6.243 8.680 1.00 0.00 H new ATOM 343 N HIS A 27 -6.303 7.430 7.230 1.00 0.00 N ATOM 344 CA HIS A 27 -6.058 8.501 6.278 1.00 0.00 C ATOM 345 C HIS A 27 -7.205 9.511 6.337 1.00 0.00 C ATOM 346 O HIS A 27 -6.973 10.713 6.462 1.00 0.00 O ATOM 347 CB HIS A 27 -5.835 7.938 4.873 1.00 0.00 C ATOM 348 CG HIS A 27 -5.714 8.994 3.800 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.703 9.938 3.788 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.486 9.245 2.705 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.869 10.718 2.730 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.976 10.285 2.060 1.00 0.00 N ATOM 0 H HIS A 27 -6.476 6.517 6.810 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.142 9.028 6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.929 7.332 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.663 7.274 4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.365 8.690 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.240 11.549 2.448 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.350 10.694 1.204 1.00 0.00 H new ATOM 361 N GLU A 28 -8.418 8.987 6.243 1.00 0.00 N ATOM 362 CA GLU A 28 -9.603 9.829 6.283 1.00 0.00 C ATOM 363 C GLU A 28 -9.627 10.648 7.576 1.00 0.00 C ATOM 364 O GLU A 28 -10.212 11.729 7.617 1.00 0.00 O ATOM 365 CB GLU A 28 -10.875 8.991 6.140 1.00 0.00 C ATOM 366 CG GLU A 28 -10.539 7.510 5.957 1.00 0.00 C ATOM 367 CD GLU A 28 -11.813 6.667 5.860 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.898 7.254 6.058 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.671 5.455 5.589 1.00 0.00 O ATOM 0 H GLU A 28 -8.607 7.990 6.139 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.565 10.519 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.500 9.119 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.453 9.344 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.941 7.378 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.933 7.165 6.795 1.00 0.00 H new ATOM 376 N ASP A 29 -8.986 10.101 8.597 1.00 0.00 N ATOM 377 CA ASP A 29 -8.927 10.768 9.887 1.00 0.00 C ATOM 378 C ASP A 29 -7.706 11.690 9.924 1.00 0.00 C ATOM 379 O ASP A 29 -7.622 12.579 10.770 1.00 0.00 O ATOM 380 CB ASP A 29 -8.789 9.754 11.025 1.00 0.00 C ATOM 381 CG ASP A 29 -10.105 9.142 11.508 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.815 8.574 10.651 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.372 9.256 12.724 1.00 0.00 O ATOM 0 H ASP A 29 -8.503 9.204 8.558 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.850 11.333 10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.130 8.950 10.697 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.301 10.242 11.869 1.00 0.00 H new ATOM 388 N GLY A 30 -6.792 11.445 8.998 1.00 0.00 N ATOM 389 CA GLY A 30 -5.580 12.243 8.914 1.00 0.00 C ATOM 390 C GLY A 30 -4.587 11.847 10.009 1.00 0.00 C ATOM 391 O GLY A 30 -3.717 12.634 10.377 1.00 0.00 O ATOM 0 H GLY A 30 -6.866 10.706 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.120 12.110 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.829 13.300 9.008 1.00 0.00 H new ATOM 395 N GLU A 31 -4.749 10.625 10.496 1.00 0.00 N ATOM 396 CA GLU A 31 -3.878 10.116 11.541 1.00 0.00 C ATOM 397 C GLU A 31 -2.819 9.187 10.943 1.00 0.00 C ATOM 398 O GLU A 31 -2.801 8.956 9.735 1.00 0.00 O ATOM 399 CB GLU A 31 -4.683 9.400 12.628 1.00 0.00 C ATOM 400 CG GLU A 31 -5.497 10.398 13.454 1.00 0.00 C ATOM 401 CD GLU A 31 -4.607 11.131 14.459 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.405 11.283 14.148 1.00 0.00 O ATOM 403 OE2 GLU A 31 -5.147 11.523 15.516 1.00 0.00 O ATOM 0 H GLU A 31 -5.470 9.973 10.186 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.372 10.961 12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.351 8.671 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.008 8.847 13.281 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.975 11.120 12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.294 9.874 13.982 1.00 0.00 H new ATOM 410 N THR A 32 -1.961 8.679 11.817 1.00 0.00 N ATOM 411 CA THR A 32 -0.901 7.782 11.389 1.00 0.00 C ATOM 412 C THR A 32 -0.956 6.476 12.184 1.00 0.00 C ATOM 413 O THR A 32 -1.686 6.375 13.169 1.00 0.00 O ATOM 414 CB THR A 32 0.430 8.522 11.528 1.00 0.00 C ATOM 415 OG1 THR A 32 0.514 8.828 12.917 1.00 0.00 O ATOM 416 CG2 THR A 32 0.413 9.891 10.845 1.00 0.00 C ATOM 0 H THR A 32 -1.979 8.872 12.818 1.00 0.00 H new ATOM 0 HA THR A 32 -1.022 7.496 10.344 1.00 0.00 H new ATOM 0 HB THR A 32 1.229 7.914 11.103 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.349 9.308 13.096 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.382 10.374 10.974 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.209 9.765 9.782 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.364 10.511 11.292 1.00 0.00 H new ATOM 424 N VAL A 33 -0.176 5.508 11.727 1.00 0.00 N ATOM 425 CA VAL A 33 -0.125 4.213 12.383 1.00 0.00 C ATOM 426 C VAL A 33 1.280 3.983 12.943 1.00 0.00 C ATOM 427 O VAL A 33 2.269 4.132 12.228 1.00 0.00 O ATOM 428 CB VAL A 33 -0.568 3.117 11.412 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.870 3.503 10.707 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.534 2.806 10.397 1.00 0.00 C ATOM 0 H VAL A 33 0.427 5.595 10.909 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.818 4.184 13.224 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.756 2.212 11.990 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.163 2.707 10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.655 3.651 11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.721 4.426 10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.194 2.024 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.767 3.705 9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.427 2.467 10.922 1.00 0.00 H new ATOM 440 N GLY A 34 1.322 3.625 14.219 1.00 0.00 N ATOM 441 CA GLY A 34 2.590 3.374 14.883 1.00 0.00 C ATOM 442 C GLY A 34 3.350 4.680 15.126 1.00 0.00 C ATOM 443 O GLY A 34 2.741 5.739 15.266 1.00 0.00 O ATOM 0 H GLY A 34 0.499 3.503 14.809 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.413 2.870 15.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.197 2.704 14.274 1.00 0.00 H new ATOM 447 N SER A 35 4.669 4.560 15.169 1.00 0.00 N ATOM 448 CA SER A 35 5.518 5.717 15.393 1.00 0.00 C ATOM 449 C SER A 35 6.020 6.264 14.055 1.00 0.00 C ATOM 450 O SER A 35 6.959 7.058 14.019 1.00 0.00 O ATOM 451 CB SER A 35 6.700 5.366 16.299 1.00 0.00 C ATOM 452 OG SER A 35 6.371 5.498 17.680 1.00 0.00 O ATOM 0 H SER A 35 5.170 3.679 15.052 1.00 0.00 H new ATOM 0 HA SER A 35 4.926 6.483 15.893 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.020 4.343 16.098 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.543 6.015 16.063 1.00 0.00 H new ATOM 0 HG SER A 35 7.150 5.264 18.226 1.00 0.00 H new ATOM 458 N ASN A 36 5.371 5.819 12.990 1.00 0.00 N ATOM 459 CA ASN A 36 5.740 6.254 11.653 1.00 0.00 C ATOM 460 C ASN A 36 4.703 7.260 11.145 1.00 0.00 C ATOM 461 O ASN A 36 3.901 7.775 11.922 1.00 0.00 O ATOM 462 CB ASN A 36 5.771 5.075 10.679 1.00 0.00 C ATOM 463 CG ASN A 36 7.211 4.687 10.335 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.158 5.051 11.013 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.322 3.931 9.247 1.00 0.00 N ATOM 0 H ASN A 36 4.592 5.162 13.025 1.00 0.00 H new ATOM 0 HA ASN A 36 6.731 6.704 11.706 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.256 4.221 11.119 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.233 5.337 9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.242 3.620 8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.488 3.662 8.725 1.00 0.00 H new ATOM 472 N SER A 37 4.756 7.508 9.844 1.00 0.00 N ATOM 473 CA SER A 37 3.832 8.443 9.225 1.00 0.00 C ATOM 474 C SER A 37 3.024 7.735 8.135 1.00 0.00 C ATOM 475 O SER A 37 2.827 8.279 7.050 1.00 0.00 O ATOM 476 CB SER A 37 4.575 9.644 8.637 1.00 0.00 C ATOM 477 OG SER A 37 5.107 9.364 7.345 1.00 0.00 O ATOM 0 H SER A 37 5.423 7.079 9.203 1.00 0.00 H new ATOM 0 HA SER A 37 3.152 8.811 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.896 10.494 8.573 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.385 9.933 9.307 1.00 0.00 H new ATOM 0 HG SER A 37 4.378 9.125 6.736 1.00 0.00 H new ATOM 483 N TYR A 38 2.578 6.530 8.462 1.00 0.00 N ATOM 484 CA TYR A 38 1.796 5.741 7.525 1.00 0.00 C ATOM 485 C TYR A 38 0.317 5.737 7.914 1.00 0.00 C ATOM 486 O TYR A 38 -0.019 5.708 9.097 1.00 0.00 O ATOM 487 CB TYR A 38 2.340 4.315 7.618 1.00 0.00 C ATOM 488 CG TYR A 38 3.774 4.161 7.110 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.753 5.040 7.527 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.091 3.142 6.234 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.103 4.896 7.048 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.441 2.997 5.755 1.00 0.00 C ATOM 493 CZ TYR A 38 6.380 3.881 6.186 1.00 0.00 C ATOM 494 OH TYR A 38 7.656 3.744 5.733 1.00 0.00 O ATOM 0 H TYR A 38 2.744 6.081 9.363 1.00 0.00 H new ATOM 0 HA TYR A 38 1.873 6.152 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.297 3.988 8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.690 3.651 7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.506 5.837 8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.326 2.453 5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.878 5.578 7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.702 2.204 5.069 1.00 0.00 H new ATOM 0 HH TYR A 38 7.707 2.977 5.126 1.00 0.00 H new ATOM 504 N PRO A 39 -0.552 5.769 6.868 1.00 0.00 N ATOM 505 CA PRO A 39 -0.072 5.803 5.497 1.00 0.00 C ATOM 506 C PRO A 39 0.463 7.190 5.138 1.00 0.00 C ATOM 507 O PRO A 39 0.744 7.999 6.021 1.00 0.00 O ATOM 508 CB PRO A 39 -1.266 5.390 4.652 1.00 0.00 C ATOM 509 CG PRO A 39 -2.489 5.590 5.532 1.00 0.00 C ATOM 510 CD PRO A 39 -2.009 5.771 6.962 1.00 0.00 C ATOM 0 HA PRO A 39 0.770 5.131 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.332 5.995 3.748 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.179 4.351 4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.055 6.462 5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.156 4.731 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.377 6.705 7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.365 4.965 7.604 1.00 0.00 H new ATOM 518 N HIS A 40 0.589 7.422 3.839 1.00 0.00 N ATOM 519 CA HIS A 40 1.087 8.699 3.353 1.00 0.00 C ATOM 520 C HIS A 40 1.348 8.607 1.848 1.00 0.00 C ATOM 521 O HIS A 40 1.426 7.512 1.293 1.00 0.00 O ATOM 522 CB HIS A 40 2.321 9.138 4.144 1.00 0.00 C ATOM 523 CG HIS A 40 3.539 8.279 3.908 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.347 8.414 2.792 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.080 7.275 4.656 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.326 7.525 2.874 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.158 6.819 4.030 1.00 0.00 N ATOM 0 H HIS A 40 0.355 6.749 3.109 1.00 0.00 H new ATOM 0 HA HIS A 40 0.334 9.472 3.510 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.560 10.169 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.081 9.126 5.207 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.212 9.084 2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.696 6.912 5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.118 7.384 2.153 1.00 0.00 H new ATOM 536 N LYS A 41 1.478 9.772 1.231 1.00 0.00 N ATOM 537 CA LYS A 41 1.728 9.837 -0.198 1.00 0.00 C ATOM 538 C LYS A 41 2.762 8.775 -0.580 1.00 0.00 C ATOM 539 O LYS A 41 3.461 8.246 0.284 1.00 0.00 O ATOM 540 CB LYS A 41 2.126 11.257 -0.608 1.00 0.00 C ATOM 541 CG LYS A 41 1.476 11.647 -1.937 1.00 0.00 C ATOM 542 CD LYS A 41 0.444 12.759 -1.737 1.00 0.00 C ATOM 543 CE LYS A 41 0.815 14.003 -2.545 1.00 0.00 C ATOM 544 NZ LYS A 41 0.012 15.166 -2.106 1.00 0.00 N ATOM 0 H LYS A 41 1.415 10.678 1.695 1.00 0.00 H new ATOM 0 HA LYS A 41 0.818 9.612 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.826 11.961 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.210 11.323 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.243 11.979 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.995 10.775 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.541 12.405 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.379 13.014 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.876 14.220 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.647 13.818 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.277 16.002 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.998 14.963 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.192 15.352 -1.099 1.00 0.00 H new ATOM 558 N TYR A 42 2.825 8.495 -1.873 1.00 0.00 N ATOM 559 CA TYR A 42 3.761 7.505 -2.379 1.00 0.00 C ATOM 560 C TYR A 42 4.271 7.892 -3.768 1.00 0.00 C ATOM 561 O TYR A 42 4.919 7.091 -4.441 1.00 0.00 O ATOM 562 CB TYR A 42 2.976 6.196 -2.484 1.00 0.00 C ATOM 563 CG TYR A 42 3.702 5.095 -3.258 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.531 4.984 -4.623 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.527 4.212 -2.591 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.215 3.947 -5.352 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.211 3.175 -3.320 1.00 0.00 C ATOM 568 CZ TYR A 42 5.021 3.094 -4.665 1.00 0.00 C ATOM 569 OH TYR A 42 5.667 2.114 -5.353 1.00 0.00 O ATOM 0 H TYR A 42 2.244 8.936 -2.586 1.00 0.00 H new ATOM 0 HA TYR A 42 4.625 7.423 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.756 5.835 -1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.020 6.396 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.885 5.674 -5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.660 4.299 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.091 3.849 -6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.860 2.478 -2.811 1.00 0.00 H new ATOM 0 HH TYR A 42 5.938 2.455 -6.231 1.00 0.00 H new ATOM 579 N ASN A 43 3.960 9.119 -4.157 1.00 0.00 N ATOM 580 CA ASN A 43 4.379 9.623 -5.454 1.00 0.00 C ATOM 581 C ASN A 43 5.272 8.584 -6.135 1.00 0.00 C ATOM 582 O ASN A 43 6.492 8.734 -6.165 1.00 0.00 O ATOM 583 CB ASN A 43 5.183 10.916 -5.309 1.00 0.00 C ATOM 584 CG ASN A 43 4.304 12.141 -5.572 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.738 13.143 -6.116 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.048 12.004 -5.156 1.00 0.00 N ATOM 0 H ASN A 43 3.422 9.780 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 43 3.484 9.820 -6.045 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.605 10.975 -4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.020 10.908 -6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.382 12.766 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.751 11.137 -4.708 1.00 0.00 H new ATOM 593 N ASN A 44 4.629 7.554 -6.666 1.00 0.00 N ATOM 594 CA ASN A 44 5.350 6.491 -7.345 1.00 0.00 C ATOM 595 C ASN A 44 6.359 7.105 -8.317 1.00 0.00 C ATOM 596 O ASN A 44 6.230 8.268 -8.699 1.00 0.00 O ATOM 597 CB ASN A 44 4.396 5.606 -8.150 1.00 0.00 C ATOM 598 CG ASN A 44 3.972 6.295 -9.448 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.887 6.838 -9.567 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.887 6.244 -10.412 1.00 0.00 N ATOM 0 H ASN A 44 3.617 7.433 -6.640 1.00 0.00 H new ATOM 0 HA ASN A 44 5.851 5.887 -6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.881 4.657 -8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.515 5.377 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.699 6.676 -11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.776 5.773 -10.247 1.00 0.00 H new ATOM 607 N TYR A 45 7.340 6.297 -8.690 1.00 0.00 N ATOM 608 CA TYR A 45 8.372 6.746 -9.611 1.00 0.00 C ATOM 609 C TYR A 45 9.140 5.560 -10.194 1.00 0.00 C ATOM 610 O TYR A 45 9.426 5.528 -11.390 1.00 0.00 O ATOM 611 CB TYR A 45 9.331 7.603 -8.783 1.00 0.00 C ATOM 612 CG TYR A 45 9.019 9.101 -8.821 1.00 0.00 C ATOM 613 CD1 TYR A 45 8.053 9.583 -9.681 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.702 9.969 -7.993 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.760 10.992 -9.717 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.407 11.378 -8.029 1.00 0.00 C ATOM 617 CZ TYR A 45 8.451 11.821 -8.889 1.00 0.00 C ATOM 618 OH TYR A 45 8.173 13.151 -8.922 1.00 0.00 O ATOM 0 H TYR A 45 7.443 5.333 -8.371 1.00 0.00 H new ATOM 0 HA TYR A 45 7.932 7.296 -10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.304 7.263 -7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.347 7.445 -9.144 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.517 8.903 -10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.457 9.592 -7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.008 11.382 -10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.934 12.068 -7.387 1.00 0.00 H new ATOM 0 HH TYR A 45 8.742 13.620 -8.277 1.00 0.00 H new ATOM 628 N GLU A 46 9.452 4.612 -9.323 1.00 0.00 N ATOM 629 CA GLU A 46 10.182 3.426 -9.737 1.00 0.00 C ATOM 630 C GLU A 46 9.649 2.916 -11.078 1.00 0.00 C ATOM 631 O GLU A 46 10.339 2.182 -11.786 1.00 0.00 O ATOM 632 CB GLU A 46 10.109 2.335 -8.667 1.00 0.00 C ATOM 633 CG GLU A 46 10.845 2.763 -7.397 1.00 0.00 C ATOM 634 CD GLU A 46 10.191 2.157 -6.153 1.00 0.00 C ATOM 635 OE1 GLU A 46 9.771 0.984 -6.248 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.125 2.881 -5.137 1.00 0.00 O ATOM 0 H GLU A 46 9.213 4.641 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 46 11.231 3.695 -9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.067 2.120 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.546 1.413 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.887 2.449 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.843 3.850 -7.320 1.00 0.00 H new ATOM 643 N GLY A 47 8.428 3.324 -11.387 1.00 0.00 N ATOM 644 CA GLY A 47 7.795 2.918 -12.630 1.00 0.00 C ATOM 645 C GLY A 47 6.630 1.961 -12.365 1.00 0.00 C ATOM 646 O GLY A 47 6.604 0.849 -12.889 1.00 0.00 O ATOM 0 H GLY A 47 7.859 3.932 -10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.434 3.798 -13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.529 2.434 -13.275 1.00 0.00 H new ATOM 650 N PHE A 48 5.695 2.431 -11.552 1.00 0.00 N ATOM 651 CA PHE A 48 4.530 1.631 -11.211 1.00 0.00 C ATOM 652 C PHE A 48 3.325 2.025 -12.068 1.00 0.00 C ATOM 653 O PHE A 48 3.028 3.209 -12.222 1.00 0.00 O ATOM 654 CB PHE A 48 4.209 1.912 -9.742 1.00 0.00 C ATOM 655 CG PHE A 48 5.241 1.351 -8.761 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.194 0.040 -8.402 1.00 0.00 C ATOM 657 CD2 PHE A 48 6.205 2.163 -8.250 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.152 -0.482 -7.492 1.00 0.00 C ATOM 659 CE2 PHE A 48 7.163 1.641 -7.340 1.00 0.00 C ATOM 660 CZ PHE A 48 7.116 0.330 -6.980 1.00 0.00 C ATOM 0 H PHE A 48 5.720 3.355 -11.120 1.00 0.00 H new ATOM 0 HA PHE A 48 4.739 0.576 -11.387 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.133 2.990 -9.597 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.232 1.489 -9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.428 -0.604 -8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.242 3.204 -8.536 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.115 -1.523 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.929 2.285 -6.934 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.844 -0.066 -6.288 1.00 0.00 H new ATOM 670 N ASP A 49 2.664 1.009 -12.604 1.00 0.00 N ATOM 671 CA ASP A 49 1.497 1.235 -13.442 1.00 0.00 C ATOM 672 C ASP A 49 0.230 1.009 -12.615 1.00 0.00 C ATOM 673 O ASP A 49 -0.601 0.171 -12.963 1.00 0.00 O ATOM 674 CB ASP A 49 1.471 0.262 -14.621 1.00 0.00 C ATOM 675 CG ASP A 49 2.847 -0.190 -15.118 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.480 -0.984 -14.388 1.00 0.00 O ATOM 677 OD2 ASP A 49 3.233 0.267 -16.215 1.00 0.00 O ATOM 0 H ASP A 49 2.914 0.028 -12.475 1.00 0.00 H new ATOM 0 HA ASP A 49 1.544 2.257 -13.818 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.898 -0.619 -14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.939 0.731 -15.448 1.00 0.00 H new ATOM 682 N PHE A 50 0.121 1.771 -11.536 1.00 0.00 N ATOM 683 CA PHE A 50 -1.031 1.664 -10.657 1.00 0.00 C ATOM 684 C PHE A 50 -2.333 1.872 -11.434 1.00 0.00 C ATOM 685 O PHE A 50 -2.587 2.961 -11.946 1.00 0.00 O ATOM 686 CB PHE A 50 -0.895 2.768 -9.606 1.00 0.00 C ATOM 687 CG PHE A 50 0.285 2.576 -8.652 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.856 1.350 -8.512 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.765 3.633 -7.943 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.950 1.172 -7.627 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.860 3.456 -7.057 1.00 0.00 C ATOM 692 CZ PHE A 50 2.430 2.229 -6.918 1.00 0.00 C ATOM 0 H PHE A 50 0.812 2.465 -11.251 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.064 0.673 -10.204 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.787 3.727 -10.113 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.815 2.817 -9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.476 0.511 -9.075 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.313 4.607 -8.054 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.402 0.197 -7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.240 4.295 -6.494 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.264 2.094 -6.245 1.00 0.00 H new ATOM 702 N SER A 51 -3.124 0.811 -11.494 1.00 0.00 N ATOM 703 CA SER A 51 -4.394 0.864 -12.198 1.00 0.00 C ATOM 704 C SER A 51 -5.300 1.919 -11.564 1.00 0.00 C ATOM 705 O SER A 51 -6.422 2.136 -12.021 1.00 0.00 O ATOM 706 CB SER A 51 -5.084 -0.502 -12.192 1.00 0.00 C ATOM 707 OG SER A 51 -5.599 -0.835 -10.906 1.00 0.00 O ATOM 0 H SER A 51 -2.910 -0.090 -11.067 1.00 0.00 H new ATOM 0 HA SER A 51 -4.199 1.138 -13.235 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.897 -0.501 -12.919 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.375 -1.267 -12.508 1.00 0.00 H new ATOM 0 HG SER A 51 -6.033 -1.713 -10.945 1.00 0.00 H new ATOM 713 N VAL A 52 -4.782 2.549 -10.520 1.00 0.00 N ATOM 714 CA VAL A 52 -5.531 3.577 -9.818 1.00 0.00 C ATOM 715 C VAL A 52 -4.879 4.939 -10.070 1.00 0.00 C ATOM 716 O VAL A 52 -3.672 5.021 -10.289 1.00 0.00 O ATOM 717 CB VAL A 52 -5.632 3.229 -8.332 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.217 1.827 -8.137 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.272 3.356 -7.645 1.00 0.00 C ATOM 0 H VAL A 52 -3.852 2.367 -10.143 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.552 3.630 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.310 3.944 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.279 1.603 -7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.214 1.785 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.575 1.094 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.372 3.103 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.562 2.676 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.911 4.380 -7.740 1.00 0.00 H new ATOM 729 N SER A 53 -5.707 5.973 -10.028 1.00 0.00 N ATOM 730 CA SER A 53 -5.226 7.325 -10.248 1.00 0.00 C ATOM 731 C SER A 53 -4.760 7.937 -8.926 1.00 0.00 C ATOM 732 O SER A 53 -4.957 7.350 -7.863 1.00 0.00 O ATOM 733 CB SER A 53 -6.310 8.199 -10.884 1.00 0.00 C ATOM 734 OG SER A 53 -5.796 9.454 -11.321 1.00 0.00 O ATOM 0 H SER A 53 -6.708 5.901 -9.845 1.00 0.00 H new ATOM 0 HA SER A 53 -4.383 7.279 -10.937 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.749 7.672 -11.731 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.110 8.366 -10.163 1.00 0.00 H new ATOM 0 HG SER A 53 -6.518 9.981 -11.722 1.00 0.00 H new ATOM 740 N SER A 54 -4.151 9.109 -9.034 1.00 0.00 N ATOM 741 CA SER A 54 -3.656 9.806 -7.860 1.00 0.00 C ATOM 742 C SER A 54 -4.806 10.528 -7.156 1.00 0.00 C ATOM 743 O SER A 54 -5.889 10.677 -7.720 1.00 0.00 O ATOM 744 CB SER A 54 -2.555 10.801 -8.233 1.00 0.00 C ATOM 745 OG SER A 54 -3.079 12.094 -8.522 1.00 0.00 O ATOM 0 H SER A 54 -3.989 9.593 -9.917 1.00 0.00 H new ATOM 0 HA SER A 54 -3.228 9.069 -7.181 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.840 10.875 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.009 10.429 -9.100 1.00 0.00 H new ATOM 0 HG SER A 54 -2.345 12.700 -8.754 1.00 0.00 H new ATOM 751 N PRO A 55 -4.526 10.969 -5.899 1.00 0.00 N ATOM 752 CA PRO A 55 -3.219 10.751 -5.305 1.00 0.00 C ATOM 753 C PRO A 55 -3.050 9.294 -4.869 1.00 0.00 C ATOM 754 O PRO A 55 -4.033 8.567 -4.729 1.00 0.00 O ATOM 755 CB PRO A 55 -3.145 11.730 -4.145 1.00 0.00 C ATOM 756 CG PRO A 55 -4.582 12.129 -3.846 1.00 0.00 C ATOM 757 CD PRO A 55 -5.443 11.683 -5.016 1.00 0.00 C ATOM 0 HA PRO A 55 -2.404 10.925 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.678 11.270 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.544 12.601 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.923 11.663 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.657 13.207 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.257 11.038 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.897 12.535 -5.522 1.00 0.00 H new ATOM 765 N TYR A 56 -1.798 8.911 -4.666 1.00 0.00 N ATOM 766 CA TYR A 56 -1.489 7.554 -4.249 1.00 0.00 C ATOM 767 C TYR A 56 -1.039 7.519 -2.786 1.00 0.00 C ATOM 768 O TYR A 56 -0.140 8.261 -2.392 1.00 0.00 O ATOM 769 CB TYR A 56 -0.332 7.093 -5.137 1.00 0.00 C ATOM 770 CG TYR A 56 -0.722 6.867 -6.600 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.022 6.537 -6.923 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.226 6.995 -7.594 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.389 6.325 -8.300 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.141 6.783 -8.970 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.431 6.458 -9.255 1.00 0.00 C ATOM 776 OH TYR A 56 -1.777 6.257 -10.555 1.00 0.00 O ATOM 0 H TYR A 56 -0.986 9.517 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.367 6.915 -4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.464 7.837 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.076 6.166 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.764 6.438 -6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.243 7.254 -7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.403 6.066 -8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.591 6.880 -9.758 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.356 5.469 -10.621 1.00 0.00 H new ATOM 786 N TYR A 57 -1.684 6.650 -2.023 1.00 0.00 N ATOM 787 CA TYR A 57 -1.361 6.509 -0.613 1.00 0.00 C ATOM 788 C TYR A 57 -0.713 5.151 -0.332 1.00 0.00 C ATOM 789 O TYR A 57 -1.358 4.112 -0.468 1.00 0.00 O ATOM 790 CB TYR A 57 -2.693 6.589 0.135 1.00 0.00 C ATOM 791 CG TYR A 57 -3.485 7.869 -0.140 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.850 8.972 -0.672 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.834 7.920 0.144 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.594 10.177 -0.930 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.579 9.126 -0.115 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.922 10.195 -0.639 1.00 0.00 C ATOM 797 OH TYR A 57 -5.626 11.332 -0.883 1.00 0.00 O ATOM 0 H TYR A 57 -2.429 6.036 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.659 7.282 -0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.304 5.729 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.502 6.515 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.794 8.931 -0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.332 7.057 0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.108 11.047 -1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.636 9.180 0.102 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.015 12.098 -0.898 1.00 0.00 H new ATOM 807 N GLU A 58 0.552 5.204 0.054 1.00 0.00 N ATOM 808 CA GLU A 58 1.295 3.991 0.356 1.00 0.00 C ATOM 809 C GLU A 58 0.900 3.456 1.733 1.00 0.00 C ATOM 810 O GLU A 58 0.763 4.222 2.686 1.00 0.00 O ATOM 811 CB GLU A 58 2.803 4.237 0.274 1.00 0.00 C ATOM 812 CG GLU A 58 3.242 5.291 1.292 1.00 0.00 C ATOM 813 CD GLU A 58 4.764 5.295 1.454 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.420 5.977 0.637 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.236 4.617 2.392 1.00 0.00 O ATOM 0 H GLU A 58 1.083 6.068 0.165 1.00 0.00 H new ATOM 0 HA GLU A 58 1.042 3.238 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.338 3.305 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.068 4.565 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.904 6.276 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.771 5.091 2.254 1.00 0.00 H new ATOM 822 N TRP A 59 0.727 2.143 1.796 1.00 0.00 N ATOM 823 CA TRP A 59 0.351 1.497 3.042 1.00 0.00 C ATOM 824 C TRP A 59 0.815 0.041 2.977 1.00 0.00 C ATOM 825 O TRP A 59 0.717 -0.601 1.932 1.00 0.00 O ATOM 826 CB TRP A 59 -1.151 1.635 3.299 1.00 0.00 C ATOM 827 CG TRP A 59 -1.661 0.792 4.470 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.311 -0.379 4.421 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.538 1.106 5.873 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.613 -0.842 5.686 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.129 0.090 6.597 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.947 2.211 6.509 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.185 0.079 7.995 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.012 2.185 7.908 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.603 1.170 8.651 1.00 0.00 C ATOM 0 H TRP A 59 0.840 1.510 1.004 1.00 0.00 H new ATOM 0 HA TRP A 59 0.837 1.980 3.890 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.382 2.683 3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.692 1.350 2.396 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.566 -0.895 3.507 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.102 -1.709 5.911 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.480 3.017 5.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.652 -0.728 8.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.572 3.011 8.447 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.613 1.223 9.730 1.00 0.00 H new ATOM 846 N PRO A 60 1.324 -0.453 4.138 1.00 0.00 N ATOM 847 CA PRO A 60 1.804 -1.822 4.223 1.00 0.00 C ATOM 848 C PRO A 60 0.636 -2.810 4.275 1.00 0.00 C ATOM 849 O PRO A 60 -0.312 -2.615 5.033 1.00 0.00 O ATOM 850 CB PRO A 60 2.669 -1.859 5.473 1.00 0.00 C ATOM 851 CG PRO A 60 2.269 -0.643 6.292 1.00 0.00 C ATOM 852 CD PRO A 60 1.456 0.277 5.395 1.00 0.00 C ATOM 0 HA PRO A 60 2.380 -2.121 3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.505 -2.779 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.728 -1.826 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.684 -0.944 7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.153 -0.127 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.481 0.495 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.960 1.232 5.247 1.00 0.00 H new ATOM 860 N ILE A 61 0.744 -3.847 3.457 1.00 0.00 N ATOM 861 CA ILE A 61 -0.291 -4.865 3.401 1.00 0.00 C ATOM 862 C ILE A 61 0.185 -6.113 4.148 1.00 0.00 C ATOM 863 O ILE A 61 1.116 -6.786 3.709 1.00 0.00 O ATOM 864 CB ILE A 61 -0.697 -5.135 1.950 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.089 -5.767 1.879 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.354 -5.985 1.235 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.500 -6.029 0.429 1.00 0.00 C ATOM 0 H ILE A 61 1.532 -4.004 2.828 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.194 -4.518 3.903 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.749 -4.180 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.096 -6.703 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.816 -5.108 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.040 -6.162 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.310 -5.461 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.462 -6.939 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.493 -6.478 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.516 -5.088 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.785 -6.708 -0.035 1.00 0.00 H new ATOM 879 N LEU A 62 -0.475 -6.382 5.264 1.00 0.00 N ATOM 880 CA LEU A 62 -0.131 -7.536 6.078 1.00 0.00 C ATOM 881 C LEU A 62 -0.912 -8.754 5.581 1.00 0.00 C ATOM 882 O LEU A 62 -2.141 -8.770 5.628 1.00 0.00 O ATOM 883 CB LEU A 62 -0.345 -7.230 7.561 1.00 0.00 C ATOM 884 CG LEU A 62 0.397 -6.009 8.108 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.102 -5.646 9.508 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.912 -6.229 8.078 1.00 0.00 C ATOM 0 H LEU A 62 -1.247 -5.821 5.624 1.00 0.00 H new ATOM 0 HA LEU A 62 0.928 -7.772 5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.412 -7.089 7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.043 -8.103 8.139 1.00 0.00 H new ATOM 0 HG LEU A 62 0.182 -5.160 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.442 -4.775 9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.167 -5.418 9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.063 -6.486 10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.416 -5.346 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.166 -7.095 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.234 -6.403 7.051 1.00 0.00 H new ATOM 898 N SER A 63 -0.166 -9.748 5.119 1.00 0.00 N ATOM 899 CA SER A 63 -0.774 -10.968 4.614 1.00 0.00 C ATOM 900 C SER A 63 -1.597 -11.636 5.717 1.00 0.00 C ATOM 901 O SER A 63 -2.386 -12.541 5.446 1.00 0.00 O ATOM 902 CB SER A 63 0.287 -11.934 4.084 1.00 0.00 C ATOM 903 OG SER A 63 0.075 -12.260 2.714 1.00 0.00 O ATOM 0 H SER A 63 0.853 -9.733 5.084 1.00 0.00 H new ATOM 0 HA SER A 63 -1.432 -10.705 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.275 -11.488 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.276 -12.847 4.680 1.00 0.00 H new ATOM 0 HG SER A 63 -0.135 -11.445 2.212 1.00 0.00 H new ATOM 909 N SER A 64 -1.385 -11.166 6.937 1.00 0.00 N ATOM 910 CA SER A 64 -2.099 -11.707 8.082 1.00 0.00 C ATOM 911 C SER A 64 -3.505 -11.110 8.153 1.00 0.00 C ATOM 912 O SER A 64 -4.378 -11.647 8.832 1.00 0.00 O ATOM 913 CB SER A 64 -1.340 -11.434 9.382 1.00 0.00 C ATOM 914 OG SER A 64 -0.430 -12.484 9.700 1.00 0.00 O ATOM 0 H SER A 64 -0.729 -10.417 7.158 1.00 0.00 H new ATOM 0 HA SER A 64 -2.177 -12.787 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.793 -10.495 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.052 -11.312 10.198 1.00 0.00 H new ATOM 0 HG SER A 64 0.036 -12.271 10.535 1.00 0.00 H new ATOM 920 N GLY A 65 -3.681 -10.006 7.442 1.00 0.00 N ATOM 921 CA GLY A 65 -4.967 -9.329 7.415 1.00 0.00 C ATOM 922 C GLY A 65 -5.128 -8.408 8.627 1.00 0.00 C ATOM 923 O GLY A 65 -6.217 -8.296 9.187 1.00 0.00 O ATOM 0 H GLY A 65 -2.954 -9.563 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.057 -8.747 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.770 -10.066 7.405 1.00 0.00 H new ATOM 927 N ASP A 66 -4.026 -7.773 8.996 1.00 0.00 N ATOM 928 CA ASP A 66 -4.029 -6.865 10.130 1.00 0.00 C ATOM 929 C ASP A 66 -3.867 -5.428 9.629 1.00 0.00 C ATOM 930 O ASP A 66 -3.848 -5.186 8.424 1.00 0.00 O ATOM 931 CB ASP A 66 -2.871 -7.168 11.083 1.00 0.00 C ATOM 932 CG ASP A 66 -3.017 -8.459 11.889 1.00 0.00 C ATOM 933 OD1 ASP A 66 -3.371 -9.481 11.262 1.00 0.00 O ATOM 934 OD2 ASP A 66 -2.770 -8.396 13.113 1.00 0.00 O ATOM 0 H ASP A 66 -3.124 -7.869 8.529 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.973 -6.992 10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.949 -7.221 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.764 -6.334 11.777 1.00 0.00 H new ATOM 939 N VAL A 67 -3.754 -4.513 10.580 1.00 0.00 N ATOM 940 CA VAL A 67 -3.594 -3.107 10.251 1.00 0.00 C ATOM 941 C VAL A 67 -2.224 -2.626 10.737 1.00 0.00 C ATOM 942 O VAL A 67 -2.039 -2.372 11.925 1.00 0.00 O ATOM 943 CB VAL A 67 -4.753 -2.297 10.834 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.404 -0.808 10.899 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.037 -2.524 10.034 1.00 0.00 C ATOM 0 H VAL A 67 -3.770 -4.718 11.579 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.625 -2.962 9.171 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.926 -2.645 11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.245 -0.255 11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.527 -0.667 11.531 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.191 -0.440 9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.846 -1.937 10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.881 -2.216 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.301 -3.581 10.062 1.00 0.00 H new ATOM 955 N TYR A 68 -1.302 -2.517 9.792 1.00 0.00 N ATOM 956 CA TYR A 68 0.045 -2.072 10.109 1.00 0.00 C ATOM 957 C TYR A 68 0.024 -0.994 11.195 1.00 0.00 C ATOM 958 O TYR A 68 -0.666 0.015 11.060 1.00 0.00 O ATOM 959 CB TYR A 68 0.604 -1.468 8.819 1.00 0.00 C ATOM 960 CG TYR A 68 1.927 -0.722 9.004 1.00 0.00 C ATOM 961 CD1 TYR A 68 3.008 -1.365 9.573 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.041 0.592 8.600 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.253 -0.664 9.746 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.286 1.293 8.774 1.00 0.00 C ATOM 965 CZ TYR A 68 4.331 0.631 9.338 1.00 0.00 C ATOM 966 OH TYR A 68 5.507 1.293 9.502 1.00 0.00 O ATOM 0 H TYR A 68 -1.461 -2.729 8.807 1.00 0.00 H new ATOM 0 HA TYR A 68 0.647 -2.903 10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.747 -2.265 8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.133 -0.782 8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.919 -2.394 9.888 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.196 1.095 8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.106 -1.155 10.190 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.388 2.322 8.463 1.00 0.00 H new ATOM 0 HH TYR A 68 5.833 1.601 8.631 1.00 0.00 H new ATOM 976 N SER A 69 0.788 -1.245 12.248 1.00 0.00 N ATOM 977 CA SER A 69 0.867 -0.309 13.356 1.00 0.00 C ATOM 978 C SER A 69 2.149 0.520 13.252 1.00 0.00 C ATOM 979 O SER A 69 2.851 0.709 14.243 1.00 0.00 O ATOM 980 CB SER A 69 0.816 -1.041 14.699 1.00 0.00 C ATOM 981 OG SER A 69 2.022 -1.749 14.967 1.00 0.00 O ATOM 0 H SER A 69 1.358 -2.084 12.357 1.00 0.00 H new ATOM 0 HA SER A 69 0.006 0.358 13.302 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.633 -0.322 15.497 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.022 -1.738 14.700 1.00 0.00 H new ATOM 0 HG SER A 69 2.754 -1.111 15.097 1.00 0.00 H new ATOM 987 N GLY A 70 2.413 0.990 12.042 1.00 0.00 N ATOM 988 CA GLY A 70 3.598 1.795 11.795 1.00 0.00 C ATOM 989 C GLY A 70 4.872 0.972 12.001 1.00 0.00 C ATOM 990 O GLY A 70 4.868 -0.008 12.744 1.00 0.00 O ATOM 0 H GLY A 70 1.828 0.829 11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.572 2.184 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.604 2.655 12.465 1.00 0.00 H new ATOM 994 N GLY A 71 5.930 1.401 11.329 1.00 0.00 N ATOM 995 CA GLY A 71 7.208 0.717 11.429 1.00 0.00 C ATOM 996 C GLY A 71 7.862 0.575 10.054 1.00 0.00 C ATOM 997 O GLY A 71 7.802 1.491 9.236 1.00 0.00 O ATOM 0 H GLY A 71 5.928 2.214 10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.870 1.271 12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.063 -0.269 11.871 1.00 0.00 H new ATOM 1001 N SER A 72 8.474 -0.582 9.840 1.00 0.00 N ATOM 1002 CA SER A 72 9.139 -0.856 8.578 1.00 0.00 C ATOM 1003 C SER A 72 8.593 -2.149 7.969 1.00 0.00 C ATOM 1004 O SER A 72 9.267 -3.177 7.980 1.00 0.00 O ATOM 1005 CB SER A 72 10.654 -0.956 8.764 1.00 0.00 C ATOM 1006 OG SER A 72 11.133 -0.037 9.743 1.00 0.00 O ATOM 0 H SER A 72 8.523 -1.340 10.521 1.00 0.00 H new ATOM 0 HA SER A 72 8.937 -0.028 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.917 -1.971 9.061 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.150 -0.763 7.813 1.00 0.00 H new ATOM 0 HG SER A 72 12.104 -0.133 9.834 1.00 0.00 H new ATOM 1012 N PRO A 73 7.344 -2.052 7.439 1.00 0.00 N ATOM 1013 CA PRO A 73 6.700 -3.201 6.826 1.00 0.00 C ATOM 1014 C PRO A 73 7.299 -3.497 5.449 1.00 0.00 C ATOM 1015 O PRO A 73 6.574 -3.809 4.507 1.00 0.00 O ATOM 1016 CB PRO A 73 5.225 -2.840 6.767 1.00 0.00 C ATOM 1017 CG PRO A 73 5.160 -1.329 6.918 1.00 0.00 C ATOM 1018 CD PRO A 73 6.515 -0.850 7.409 1.00 0.00 C ATOM 0 HA PRO A 73 6.850 -4.119 7.394 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.783 -3.158 5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.669 -3.336 7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.912 -0.861 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.378 -1.049 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.934 -0.096 6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.440 -0.396 8.397 1.00 0.00 H new ATOM 1026 N GLY A 74 8.617 -3.387 5.378 1.00 0.00 N ATOM 1027 CA GLY A 74 9.322 -3.638 4.132 1.00 0.00 C ATOM 1028 C GLY A 74 9.068 -5.063 3.636 1.00 0.00 C ATOM 1029 O GLY A 74 9.473 -6.030 4.279 1.00 0.00 O ATOM 0 H GLY A 74 9.215 -3.128 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.998 -2.923 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.391 -3.485 4.278 1.00 0.00 H new ATOM 1033 N ALA A 75 8.397 -5.147 2.496 1.00 0.00 N ATOM 1034 CA ALA A 75 8.082 -6.437 1.906 1.00 0.00 C ATOM 1035 C ALA A 75 6.763 -6.334 1.138 1.00 0.00 C ATOM 1036 O ALA A 75 6.736 -6.494 -0.082 1.00 0.00 O ATOM 1037 CB ALA A 75 8.036 -7.503 3.004 1.00 0.00 C ATOM 0 H ALA A 75 8.063 -4.342 1.965 1.00 0.00 H new ATOM 0 HA ALA A 75 8.854 -6.733 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.800 -8.471 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.005 -7.557 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.270 -7.241 3.734 1.00 0.00 H new ATOM 1043 N ASP A 76 5.700 -6.067 1.883 1.00 0.00 N ATOM 1044 CA ASP A 76 4.381 -5.940 1.288 1.00 0.00 C ATOM 1045 C ASP A 76 3.802 -4.565 1.627 1.00 0.00 C ATOM 1046 O ASP A 76 3.603 -4.244 2.798 1.00 0.00 O ATOM 1047 CB ASP A 76 3.426 -7.003 1.833 1.00 0.00 C ATOM 1048 CG ASP A 76 3.958 -8.437 1.785 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.990 -8.637 1.108 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.321 -9.301 2.425 1.00 0.00 O ATOM 0 H ASP A 76 5.726 -5.935 2.894 1.00 0.00 H new ATOM 0 HA ASP A 76 4.484 -6.067 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.183 -6.756 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.495 -6.958 1.267 1.00 0.00 H new ATOM 1055 N ARG A 77 3.549 -3.791 0.582 1.00 0.00 N ATOM 1056 CA ARG A 77 2.997 -2.458 0.755 1.00 0.00 C ATOM 1057 C ARG A 77 1.974 -2.160 -0.343 1.00 0.00 C ATOM 1058 O ARG A 77 2.157 -2.561 -1.492 1.00 0.00 O ATOM 1059 CB ARG A 77 4.099 -1.397 0.718 1.00 0.00 C ATOM 1060 CG ARG A 77 5.140 -1.647 1.810 1.00 0.00 C ATOM 1061 CD ARG A 77 5.011 -0.619 2.936 1.00 0.00 C ATOM 1062 NE ARG A 77 6.214 0.241 2.976 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.244 0.056 3.813 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.223 -0.960 4.686 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.294 0.886 3.777 1.00 0.00 N ATOM 0 H ARG A 77 3.716 -4.061 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 77 2.509 -2.425 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.583 -1.405 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.660 -0.408 0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.015 -2.652 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.141 -1.598 1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.122 -0.008 2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.886 -1.128 3.892 1.00 0.00 H new ATOM 0 HE ARG A 77 6.263 1.025 2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.423 -1.592 4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.007 -1.101 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.310 1.660 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.078 0.745 4.414 1.00 0.00 H new ATOM 1079 N VAL A 78 0.920 -1.460 0.049 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.132 -1.105 -0.888 1.00 0.00 C ATOM 1081 C VAL A 78 -0.157 0.415 -1.068 1.00 0.00 C ATOM 1082 O VAL A 78 0.155 1.159 -0.139 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.472 -1.671 -0.410 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.524 -3.188 -0.602 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.739 -1.293 1.048 1.00 0.00 C ATOM 0 H VAL A 78 0.772 -1.129 1.002 1.00 0.00 H new ATOM 0 HA VAL A 78 0.063 -1.546 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.260 -1.228 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.486 -3.566 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.401 -3.425 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.723 -3.655 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.697 -1.708 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.946 -1.694 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.765 -0.208 1.144 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.529 0.830 -2.269 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.598 2.247 -2.584 1.00 0.00 C ATOM 1097 C VAL A 79 -1.964 2.564 -3.197 1.00 0.00 C ATOM 1098 O VAL A 79 -2.255 2.149 -4.318 1.00 0.00 O ATOM 1099 CB VAL A 79 0.570 2.639 -3.491 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.510 4.125 -3.849 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.910 2.286 -2.841 1.00 0.00 C ATOM 0 H VAL A 79 -0.786 0.210 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.503 2.844 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 79 0.484 2.067 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.351 4.378 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.424 4.336 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.560 4.721 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.724 2.575 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.007 2.819 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.954 1.212 -2.658 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.764 3.295 -2.436 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.091 3.671 -2.891 1.00 0.00 C ATOM 1113 C PHE A 80 -4.242 5.193 -2.944 1.00 0.00 C ATOM 1114 O PHE A 80 -3.260 5.922 -2.818 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.089 3.107 -1.877 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.991 3.743 -0.488 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.904 3.503 0.293 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.990 4.546 -0.036 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.813 4.093 1.583 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.899 5.136 1.252 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.813 4.897 2.034 1.00 0.00 C ATOM 0 H PHE A 80 -2.519 3.637 -1.507 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.265 3.280 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.100 3.249 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.930 2.032 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.111 2.865 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.853 4.735 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.950 3.903 2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.693 5.775 1.611 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.744 5.346 3.014 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.479 5.627 -3.131 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.772 7.049 -3.202 1.00 0.00 C ATOM 1133 C ASN A 81 -6.896 7.384 -2.221 1.00 0.00 C ATOM 1134 O ASN A 81 -7.291 6.545 -1.412 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.234 7.446 -4.605 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.760 6.431 -5.647 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.868 6.686 -6.439 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.404 5.269 -5.602 1.00 0.00 N ATOM 0 H ASN A 81 -6.291 5.019 -3.236 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.861 7.594 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.322 7.515 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.847 8.434 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.161 4.525 -6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.142 5.121 -4.913 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.382 8.612 -2.324 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.454 9.069 -1.456 1.00 0.00 C ATOM 1147 C GLU A 82 -9.814 8.744 -2.076 1.00 0.00 C ATOM 1148 O GLU A 82 -10.832 9.311 -1.681 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.327 10.566 -1.168 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.478 11.056 -0.288 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.957 11.903 0.874 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -8.365 12.964 0.584 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.164 11.469 2.029 1.00 0.00 O ATOM 0 H GLU A 82 -7.053 9.305 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.374 8.542 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.376 10.765 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.320 11.121 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.174 11.643 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.033 10.202 0.100 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.788 7.831 -3.037 1.00 0.00 N ATOM 1161 CA ASN A 83 -11.006 7.423 -3.715 1.00 0.00 C ATOM 1162 C ASN A 83 -11.405 6.025 -3.241 1.00 0.00 C ATOM 1163 O ASN A 83 -12.557 5.619 -3.392 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.801 7.367 -5.231 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.313 7.402 -5.584 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.691 8.448 -5.659 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.779 6.202 -5.795 1.00 0.00 N ATOM 0 H ASN A 83 -8.942 7.363 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.781 8.153 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.252 6.458 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.310 8.208 -5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.791 6.118 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.357 5.365 -5.716 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.431 5.326 -2.676 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.667 3.981 -2.178 1.00 0.00 C ATOM 1176 C ASN A 84 -10.099 2.967 -3.174 1.00 0.00 C ATOM 1177 O ASN A 84 -10.551 1.825 -3.228 1.00 0.00 O ATOM 1178 CB ASN A 84 -12.163 3.705 -2.024 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.769 3.215 -3.340 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.751 2.491 -3.371 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.133 3.651 -4.424 1.00 0.00 N ATOM 0 H ASN A 84 -9.477 5.666 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.182 3.891 -1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.320 2.957 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.672 4.613 -1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.462 3.381 -5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.317 4.255 -4.328 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.117 3.421 -3.937 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.482 2.568 -4.928 1.00 0.00 C ATOM 1190 C GLN A 85 -7.025 2.304 -4.546 1.00 0.00 C ATOM 1191 O GLN A 85 -6.218 3.231 -4.480 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.580 3.184 -6.325 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.039 3.431 -6.715 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.131 4.212 -8.028 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.172 3.652 -9.111 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -10.161 5.532 -7.870 1.00 0.00 N ATOM 0 H GLN A 85 -8.745 4.369 -3.890 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.010 1.614 -4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.029 4.124 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.113 2.520 -7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.558 2.478 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.542 3.985 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.123 5.935 -6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.222 6.142 -8.685 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.730 1.034 -4.304 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.383 0.637 -3.930 1.00 0.00 C ATOM 1207 C LEU A 86 -4.687 0.012 -5.140 1.00 0.00 C ATOM 1208 O LEU A 86 -5.329 -0.640 -5.963 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.416 -0.275 -2.702 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.091 -0.941 -2.326 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.202 -1.662 -0.981 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.613 -1.875 -3.439 1.00 0.00 C ATOM 0 H LEU A 86 -7.401 0.268 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.796 1.508 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.761 0.309 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.157 -1.056 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.337 -0.162 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.247 -2.127 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.465 -0.944 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.974 -2.429 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.669 -2.336 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.359 -2.651 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.469 -1.304 -4.356 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.383 0.234 -5.211 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.591 -0.299 -6.308 1.00 0.00 C ATOM 1226 C ALA A 87 -1.152 -0.514 -5.834 1.00 0.00 C ATOM 1227 O ALA A 87 -0.515 -1.500 -6.202 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.676 0.649 -7.506 1.00 0.00 C ATOM 0 H ALA A 87 -2.854 0.776 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.980 -1.265 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.082 0.250 -8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.715 0.745 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.291 1.629 -7.223 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.682 0.424 -5.026 1.00 0.00 N ATOM 1235 CA GLY A 88 0.670 0.350 -4.500 1.00 0.00 C ATOM 1236 C GLY A 88 0.919 -0.998 -3.819 1.00 0.00 C ATOM 1237 O GLY A 88 1.323 -1.045 -2.658 1.00 0.00 O ATOM 0 H GLY A 88 -1.214 1.240 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.387 0.491 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.831 1.158 -3.786 1.00 0.00 H new ATOM 1241 N VAL A 89 0.668 -2.060 -4.570 1.00 0.00 N ATOM 1242 CA VAL A 89 0.860 -3.404 -4.054 1.00 0.00 C ATOM 1243 C VAL A 89 2.330 -3.801 -4.211 1.00 0.00 C ATOM 1244 O VAL A 89 2.639 -4.966 -4.451 1.00 0.00 O ATOM 1245 CB VAL A 89 -0.098 -4.374 -4.750 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.563 -5.737 -4.966 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.402 -4.515 -3.963 1.00 0.00 C ATOM 0 H VAL A 89 0.333 -2.017 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 89 0.624 -3.442 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.341 -3.961 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.139 -6.407 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.451 -5.617 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.849 -6.159 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.065 -5.210 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.185 -4.894 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.886 -3.542 -3.884 1.00 0.00 H new ATOM 1257 N ILE A 90 3.195 -2.808 -4.066 1.00 0.00 N ATOM 1258 CA ILE A 90 4.625 -3.039 -4.188 1.00 0.00 C ATOM 1259 C ILE A 90 5.086 -3.965 -3.061 1.00 0.00 C ATOM 1260 O ILE A 90 4.304 -4.308 -2.177 1.00 0.00 O ATOM 1261 CB ILE A 90 5.380 -1.709 -4.239 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.507 -1.097 -2.843 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.724 -0.744 -5.230 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.542 0.077 -2.667 1.00 0.00 C ATOM 0 H ILE A 90 2.934 -1.843 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 90 4.851 -3.543 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 90 6.390 -1.903 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.301 -1.857 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.530 -0.758 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.280 0.193 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.728 -1.187 -6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.696 -0.551 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.654 0.493 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.766 0.846 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.518 -0.270 -2.803 1.00 0.00 H new ATOM 1276 N THR A 91 6.354 -4.341 -3.129 1.00 0.00 N ATOM 1277 CA THR A 91 6.929 -5.221 -2.125 1.00 0.00 C ATOM 1278 C THR A 91 8.457 -5.183 -2.194 1.00 0.00 C ATOM 1279 O THR A 91 9.028 -4.996 -3.267 1.00 0.00 O ATOM 1280 CB THR A 91 6.346 -6.620 -2.333 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.403 -7.497 -1.955 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.106 -6.942 -3.810 1.00 0.00 C ATOM 0 H THR A 91 7.000 -4.053 -3.864 1.00 0.00 H new ATOM 0 HA THR A 91 6.672 -4.893 -1.118 1.00 0.00 H new ATOM 0 HB THR A 91 5.407 -6.706 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.451 -7.549 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.692 -7.946 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.405 -6.221 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.050 -6.888 -4.352 1.00 0.00 H new ATOM 1290 N HIS A 92 9.074 -5.364 -1.035 1.00 0.00 N ATOM 1291 CA HIS A 92 10.524 -5.352 -0.950 1.00 0.00 C ATOM 1292 C HIS A 92 11.087 -6.610 -1.615 1.00 0.00 C ATOM 1293 O HIS A 92 12.299 -6.818 -1.633 1.00 0.00 O ATOM 1294 CB HIS A 92 10.982 -5.192 0.500 1.00 0.00 C ATOM 1295 CG HIS A 92 10.759 -3.810 1.066 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.743 -3.108 1.740 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.656 -3.007 1.050 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.244 -1.937 2.109 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.950 -1.877 1.680 1.00 0.00 N ATOM 0 H HIS A 92 8.596 -5.520 -0.148 1.00 0.00 H new ATOM 0 HA HIS A 92 10.917 -4.491 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.453 -5.917 1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.043 -5.433 0.564 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.705 -3.250 0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.769 -1.166 2.653 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.313 -1.092 1.821 1.00 0.00 H new ATOM 1308 N THR A 93 10.180 -7.417 -2.144 1.00 0.00 N ATOM 1309 CA THR A 93 10.571 -8.650 -2.807 1.00 0.00 C ATOM 1310 C THR A 93 11.960 -8.503 -3.429 1.00 0.00 C ATOM 1311 O THR A 93 12.087 -8.132 -4.594 1.00 0.00 O ATOM 1312 CB THR A 93 9.484 -9.004 -3.825 1.00 0.00 C ATOM 1313 OG1 THR A 93 8.584 -9.836 -3.097 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.004 -9.908 -4.945 1.00 0.00 C ATOM 0 H THR A 93 9.175 -7.242 -2.127 1.00 0.00 H new ATOM 0 HA THR A 93 10.653 -9.473 -2.097 1.00 0.00 H new ATOM 0 HB THR A 93 9.078 -8.089 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.989 -9.278 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.194 -10.129 -5.640 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.810 -9.402 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.379 -10.838 -4.517 1.00 0.00 H new ATOM 1322 N GLY A 94 12.969 -8.803 -2.623 1.00 0.00 N ATOM 1323 CA GLY A 94 14.345 -8.709 -3.079 1.00 0.00 C ATOM 1324 C GLY A 94 14.504 -7.594 -4.115 1.00 0.00 C ATOM 1325 O GLY A 94 15.228 -7.754 -5.097 1.00 0.00 O ATOM 0 H GLY A 94 12.860 -9.111 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.001 -8.518 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.654 -9.660 -3.513 1.00 0.00 H new ATOM 1329 N ALA A 95 13.816 -6.491 -3.861 1.00 0.00 N ATOM 1330 CA ALA A 95 13.872 -5.351 -4.759 1.00 0.00 C ATOM 1331 C ALA A 95 15.334 -4.973 -5.006 1.00 0.00 C ATOM 1332 O ALA A 95 16.234 -5.505 -4.358 1.00 0.00 O ATOM 1333 CB ALA A 95 13.064 -4.195 -4.167 1.00 0.00 C ATOM 0 H ALA A 95 13.217 -6.363 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 95 13.428 -5.600 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.106 -3.339 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 95 12.027 -4.505 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.483 -3.916 -3.200 1.00 0.00 H new ATOM 1339 N SER A 96 15.525 -4.058 -5.945 1.00 0.00 N ATOM 1340 CA SER A 96 16.862 -3.602 -6.286 1.00 0.00 C ATOM 1341 C SER A 96 17.506 -2.920 -5.076 1.00 0.00 C ATOM 1342 O SER A 96 18.573 -2.319 -5.194 1.00 0.00 O ATOM 1343 CB SER A 96 16.832 -2.647 -7.480 1.00 0.00 C ATOM 1344 OG SER A 96 18.067 -1.955 -7.642 1.00 0.00 O ATOM 0 H SER A 96 14.776 -3.620 -6.481 1.00 0.00 H new ATOM 0 HA SER A 96 17.458 -4.470 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.609 -3.208 -8.387 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.027 -1.925 -7.346 1.00 0.00 H new ATOM 0 HG SER A 96 18.700 -2.250 -6.954 1.00 0.00 H new ATOM 1350 N GLY A 97 16.830 -3.034 -3.943 1.00 0.00 N ATOM 1351 CA GLY A 97 17.323 -2.435 -2.714 1.00 0.00 C ATOM 1352 C GLY A 97 16.168 -2.090 -1.771 1.00 0.00 C ATOM 1353 O GLY A 97 15.395 -2.964 -1.384 1.00 0.00 O ATOM 0 H GLY A 97 15.945 -3.532 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.008 -3.123 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.889 -1.533 -2.946 1.00 0.00 H new ATOM 1357 N ASN A 98 16.089 -0.812 -1.429 1.00 0.00 N ATOM 1358 CA ASN A 98 15.042 -0.340 -0.538 1.00 0.00 C ATOM 1359 C ASN A 98 13.851 0.142 -1.369 1.00 0.00 C ATOM 1360 O ASN A 98 12.857 0.614 -0.819 1.00 0.00 O ATOM 1361 CB ASN A 98 15.531 0.832 0.314 1.00 0.00 C ATOM 1362 CG ASN A 98 14.375 1.463 1.093 1.00 0.00 C ATOM 1363 OD1 ASN A 98 14.336 2.657 1.338 1.00 0.00 O ATOM 1364 ND2 ASN A 98 13.438 0.597 1.468 1.00 0.00 N ATOM 0 H ASN A 98 16.732 -0.089 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 98 14.757 -1.165 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.297 0.487 1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.996 1.582 -0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.626 0.920 1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.532 -0.390 1.230 1.00 0.00 H new ATOM 1371 N ASN A 99 13.992 0.009 -2.679 1.00 0.00 N ATOM 1372 CA ASN A 99 12.940 0.425 -3.591 1.00 0.00 C ATOM 1373 C ASN A 99 11.715 -0.469 -3.394 1.00 0.00 C ATOM 1374 O ASN A 99 11.620 -1.186 -2.399 1.00 0.00 O ATOM 1375 CB ASN A 99 13.391 0.296 -5.048 1.00 0.00 C ATOM 1376 CG ASN A 99 13.699 -1.161 -5.399 1.00 0.00 C ATOM 1377 OD1 ASN A 99 12.868 -1.891 -5.915 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.935 -1.542 -5.090 1.00 0.00 N ATOM 0 H ASN A 99 14.819 -0.381 -3.131 1.00 0.00 H new ATOM 0 HA ASN A 99 12.703 1.467 -3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.612 0.676 -5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.277 0.909 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.238 -2.497 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.580 -0.880 -4.660 1.00 0.00 H new ATOM 1385 N PHE A 100 10.809 -0.399 -4.357 1.00 0.00 N ATOM 1386 CA PHE A 100 9.593 -1.193 -4.301 1.00 0.00 C ATOM 1387 C PHE A 100 9.238 -1.750 -5.682 1.00 0.00 C ATOM 1388 O PHE A 100 9.852 -1.379 -6.682 1.00 0.00 O ATOM 1389 CB PHE A 100 8.472 -0.263 -3.835 1.00 0.00 C ATOM 1390 CG PHE A 100 8.469 0.003 -2.329 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.161 -0.998 -1.462 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.775 1.242 -1.857 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.159 -0.751 -0.064 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.773 1.489 -0.458 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.466 0.487 0.409 1.00 0.00 C ATOM 0 H PHE A 100 10.892 0.196 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 100 9.730 -2.036 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.560 0.688 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.513 -0.696 -4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.918 -1.981 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.019 2.037 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.914 -1.546 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 100 9.015 2.472 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.466 0.674 1.473 1.00 0.00 H new ATOM 1405 N VAL A 101 8.249 -2.630 -5.693 1.00 0.00 N ATOM 1406 CA VAL A 101 7.805 -3.242 -6.934 1.00 0.00 C ATOM 1407 C VAL A 101 6.400 -3.815 -6.741 1.00 0.00 C ATOM 1408 O VAL A 101 6.171 -4.615 -5.835 1.00 0.00 O ATOM 1409 CB VAL A 101 8.821 -4.290 -7.394 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.202 -3.664 -7.595 1.00 0.00 C ATOM 1411 CG2 VAL A 101 8.887 -5.459 -6.408 1.00 0.00 C ATOM 0 H VAL A 101 7.742 -2.934 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 101 7.746 -2.497 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 101 8.487 -4.681 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.905 -4.430 -7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.140 -2.882 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.546 -3.233 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.616 -6.190 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.185 -5.091 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.907 -5.930 -6.336 1.00 0.00 H new ATOM 1421 N GLU A 102 5.495 -3.384 -7.608 1.00 0.00 N ATOM 1422 CA GLU A 102 4.119 -3.845 -7.545 1.00 0.00 C ATOM 1423 C GLU A 102 4.067 -5.373 -7.594 1.00 0.00 C ATOM 1424 O GLU A 102 4.581 -5.985 -8.530 1.00 0.00 O ATOM 1425 CB GLU A 102 3.282 -3.231 -8.669 1.00 0.00 C ATOM 1426 CG GLU A 102 4.134 -2.996 -9.919 1.00 0.00 C ATOM 1427 CD GLU A 102 3.251 -2.768 -11.148 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.137 -3.334 -11.160 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.710 -2.030 -12.047 1.00 0.00 O ATOM 0 H GLU A 102 5.688 -2.720 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 102 3.691 -3.517 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.450 -3.892 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.853 -2.287 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.781 -2.132 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.784 -3.855 -10.088 1.00 0.00 H new ATOM 1436 N CYS A 103 3.443 -5.946 -6.576 1.00 0.00 N ATOM 1437 CA CYS A 103 3.318 -7.392 -6.491 1.00 0.00 C ATOM 1438 C CYS A 103 2.756 -7.903 -7.819 1.00 0.00 C ATOM 1439 O CYS A 103 2.503 -7.120 -8.734 1.00 0.00 O ATOM 1440 CB CYS A 103 2.452 -7.816 -5.303 1.00 0.00 C ATOM 1441 SG CYS A 103 3.162 -7.434 -3.661 1.00 0.00 S ATOM 0 H CYS A 103 3.018 -5.435 -5.802 1.00 0.00 H new ATOM 0 HA CYS A 103 4.298 -7.836 -6.317 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.481 -7.327 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.275 -8.890 -5.366 1.00 0.00 H new ATOM 0 HG CYS A 103 2.488 -8.058 -2.741 1.00 0.00 H new ATOM 1446 N THR A 104 2.576 -9.214 -7.883 1.00 0.00 N ATOM 1447 CA THR A 104 2.048 -9.839 -9.085 1.00 0.00 C ATOM 1448 C THR A 104 0.637 -10.372 -8.832 1.00 0.00 C ATOM 1449 O THR A 104 -0.241 -10.245 -9.684 1.00 0.00 O ATOM 1450 CB THR A 104 3.036 -10.921 -9.527 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.102 -11.808 -8.414 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.464 -10.389 -9.665 1.00 0.00 C ATOM 0 H THR A 104 2.786 -9.861 -7.123 1.00 0.00 H new ATOM 0 HA THR A 104 1.949 -9.118 -9.896 1.00 0.00 H new ATOM 0 HB THR A 104 2.711 -11.341 -10.479 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.470 -11.334 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.124 -11.197 -9.981 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.485 -9.592 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.801 -9.999 -8.705 1.00 0.00 H new TER 1460 THR A 104