USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 43 GLN : amide:sc= -5.62! C(o=-5.6!,f=-6.5!) USER MOD Set 1.2: A 44 THR OG1 : rot 8:sc= 0.0339 USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -1.92 F(o=-63!,f=-60) USER MOD Set 2.2: A 33 CYS SG : rot 15:sc= -36! USER MOD Set 2.3: A 42 CYS SG : rot 44:sc= -22.6! USER MOD Set 3.1: A 14 CYS SG : rot -32:sc= -26.1! USER MOD Set 3.2: A 31 CYS SG : rot -71:sc= -31.6! USER MOD Single : A 1 ASN : amide:sc= -0.0474 X(o=-0.047,f=-0.15) USER MOD Single : A 1 ASN N :NH3+ -111:sc= 0.083 (180deg=-0.0378) USER MOD Single : A 2 SER OG : rot 35:sc= 0.181 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -9:sc= 1.27 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 130:sc= -0.263 USER MOD Single : A 13 TYR OH : rot -169:sc= 0.99 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -15.2! C(o=-15!,f=-17!) USER MOD Single : A 25 SER OG : rot -67:sc= 0.846 USER MOD Single : A 28 SER OG : rot 180:sc= -0.134 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.116! USER MOD Single : A 32 ASN : amide:sc= 0.0231 K(o=0.023,f=-6.6!) USER MOD Single : A 37 TYR OH : rot 30:sc= 0.661 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0147 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.104 16.022 1.492 1.00 0.00 N ATOM 2 CA ASN A 1 -3.370 15.620 2.081 1.00 0.00 C ATOM 3 C ASN A 1 -3.693 14.186 1.652 1.00 0.00 C ATOM 4 O ASN A 1 -3.137 13.687 0.676 1.00 0.00 O ATOM 5 CB ASN A 1 -4.510 16.522 1.609 1.00 0.00 C ATOM 6 CG ASN A 1 -4.272 17.975 2.032 1.00 0.00 C ATOM 7 OD1 ASN A 1 -3.552 18.724 1.392 1.00 0.00 O ATOM 8 ND2 ASN A 1 -4.913 18.325 3.140 1.00 0.00 N ATOM 0 H1 ASN A 1 -1.387 16.113 2.240 1.00 0.00 H new ATOM 0 H2 ASN A 1 -1.798 15.305 0.804 1.00 0.00 H new ATOM 0 H3 ASN A 1 -2.220 16.936 1.010 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.277 15.696 3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -4.598 16.465 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -5.454 16.169 2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -4.819 19.272 3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -5.500 17.647 3.626 1.00 0.00 H new ATOM 9 N SER A 2 -4.591 13.566 2.404 1.00 0.00 N ATOM 10 CA SER A 2 -4.995 12.201 2.114 1.00 0.00 C ATOM 11 C SER A 2 -6.500 12.146 1.844 1.00 0.00 C ATOM 12 O SER A 2 -7.300 12.543 2.691 1.00 0.00 O ATOM 13 CB SER A 2 -4.627 11.261 3.265 1.00 0.00 C ATOM 14 OG SER A 2 -5.271 11.628 4.481 1.00 0.00 O ATOM 0 H SER A 2 -5.050 13.984 3.213 1.00 0.00 H new ATOM 0 HA SER A 2 -4.461 11.868 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.904 10.240 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.547 11.271 3.410 1.00 0.00 H new ATOM 0 HG SER A 2 -6.162 11.985 4.284 1.00 0.00 H new ATOM 15 N TYR A 3 -6.839 11.653 0.664 1.00 0.00 N ATOM 16 CA TYR A 3 -8.234 11.541 0.272 1.00 0.00 C ATOM 17 C TYR A 3 -8.552 10.131 -0.229 1.00 0.00 C ATOM 18 O TYR A 3 -7.766 9.539 -0.967 1.00 0.00 O ATOM 19 CB TYR A 3 -8.430 12.534 -0.876 1.00 0.00 C ATOM 20 CG TYR A 3 -9.764 12.381 -1.609 1.00 0.00 C ATOM 21 CD1 TYR A 3 -10.880 13.058 -1.158 1.00 0.00 C ATOM 22 CD2 TYR A 3 -9.854 11.567 -2.721 1.00 0.00 C ATOM 23 CE1 TYR A 3 -12.136 12.914 -1.847 1.00 0.00 C ATOM 24 CE2 TYR A 3 -11.109 11.424 -3.409 1.00 0.00 C ATOM 25 CZ TYR A 3 -12.189 12.105 -2.940 1.00 0.00 C ATOM 26 OH TYR A 3 -13.376 11.970 -3.591 1.00 0.00 O ATOM 0 H TYR A 3 -6.172 11.326 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.888 11.746 1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.357 13.548 -0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.617 12.411 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.811 13.695 -0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.982 11.037 -3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.017 13.437 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.192 10.790 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.264 11.363 -4.352 1.00 0.00 H new ATOM 27 N PRO A 4 -9.736 9.620 0.204 1.00 0.00 N ATOM 28 CA PRO A 4 -10.167 8.291 -0.193 1.00 0.00 C ATOM 29 C PRO A 4 -10.654 8.282 -1.642 1.00 0.00 C ATOM 30 O PRO A 4 -11.732 8.794 -1.942 1.00 0.00 O ATOM 31 CB PRO A 4 -11.255 7.917 0.802 1.00 0.00 C ATOM 32 CG PRO A 4 -11.715 9.224 1.427 1.00 0.00 C ATOM 33 CD PRO A 4 -10.691 10.292 1.080 1.00 0.00 C ATOM 0 HA PRO A 4 -9.357 7.562 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.082 7.410 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.872 7.234 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.699 9.502 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.806 9.119 2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.158 11.140 0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.203 10.678 1.975 1.00 0.00 H new ATOM 34 N GLY A 5 -9.838 7.695 -2.505 1.00 0.00 N ATOM 35 CA GLY A 5 -10.172 7.612 -3.916 1.00 0.00 C ATOM 36 C GLY A 5 -9.250 6.633 -4.642 1.00 0.00 C ATOM 37 O GLY A 5 -8.123 6.397 -4.208 1.00 0.00 O ATOM 0 H GLY A 5 -8.945 7.272 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.208 7.293 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.090 8.599 -4.371 1.00 0.00 H new ATOM 38 N CYS A 6 -9.763 6.085 -5.735 1.00 0.00 N ATOM 39 CA CYS A 6 -8.998 5.136 -6.525 1.00 0.00 C ATOM 40 C CYS A 6 -9.846 4.722 -7.730 1.00 0.00 C ATOM 41 O CYS A 6 -10.741 3.887 -7.607 1.00 0.00 O ATOM 42 CB CYS A 6 -8.563 3.929 -5.693 1.00 0.00 C ATOM 43 SG CYS A 6 -6.871 4.042 -5.003 1.00 0.00 S ATOM 0 H CYS A 6 -10.699 6.281 -6.091 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.078 5.606 -6.872 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.267 3.799 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.628 3.035 -6.313 1.00 0.00 H new ATOM 44 N PRO A 7 -9.525 5.341 -8.897 1.00 0.00 N ATOM 45 CA PRO A 7 -10.248 5.046 -10.124 1.00 0.00 C ATOM 46 C PRO A 7 -9.832 3.688 -10.691 1.00 0.00 C ATOM 47 O PRO A 7 -9.037 2.972 -10.081 1.00 0.00 O ATOM 48 CB PRO A 7 -9.927 6.202 -11.057 1.00 0.00 C ATOM 49 CG PRO A 7 -8.678 6.860 -10.494 1.00 0.00 C ATOM 50 CD PRO A 7 -8.472 6.337 -9.081 1.00 0.00 C ATOM 0 HA PRO A 7 -11.324 4.963 -9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.757 5.847 -12.074 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.755 6.910 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.813 6.631 -11.116 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.788 7.944 -10.487 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.483 5.894 -8.963 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.552 7.138 -8.347 1.00 0.00 H new ATOM 51 N SER A 8 -10.387 3.371 -11.853 1.00 0.00 N ATOM 52 CA SER A 8 -10.085 2.110 -12.509 1.00 0.00 C ATOM 53 C SER A 8 -8.841 2.263 -13.386 1.00 0.00 C ATOM 54 O SER A 8 -8.560 1.410 -14.226 1.00 0.00 O ATOM 55 CB SER A 8 -11.270 1.628 -13.347 1.00 0.00 C ATOM 56 OG SER A 8 -11.026 0.349 -13.927 1.00 0.00 O ATOM 0 H SER A 8 -11.044 3.967 -12.357 1.00 0.00 H new ATOM 0 HA SER A 8 -9.891 1.362 -11.741 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.161 1.579 -12.721 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.475 2.351 -14.136 1.00 0.00 H new ATOM 0 HG SER A 8 -10.087 0.103 -13.794 1.00 0.00 H new ATOM 57 N SER A 9 -8.128 3.358 -13.161 1.00 0.00 N ATOM 58 CA SER A 9 -6.920 3.634 -13.920 1.00 0.00 C ATOM 59 C SER A 9 -5.780 2.733 -13.437 1.00 0.00 C ATOM 60 O SER A 9 -5.019 2.203 -14.245 1.00 0.00 O ATOM 61 CB SER A 9 -6.519 5.104 -13.802 1.00 0.00 C ATOM 62 OG SER A 9 -7.548 5.977 -14.261 1.00 0.00 O ATOM 0 H SER A 9 -8.364 4.064 -12.464 1.00 0.00 H new ATOM 0 HA SER A 9 -7.122 3.423 -14.970 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.286 5.334 -12.762 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.611 5.279 -14.379 1.00 0.00 H new ATOM 0 HG SER A 9 -7.254 6.907 -14.168 1.00 0.00 H new ATOM 63 N TYR A 10 -5.701 2.586 -12.124 1.00 0.00 N ATOM 64 CA TYR A 10 -4.668 1.759 -11.522 1.00 0.00 C ATOM 65 C TYR A 10 -5.089 0.289 -11.497 1.00 0.00 C ATOM 66 O TYR A 10 -4.506 -0.540 -12.191 1.00 0.00 O ATOM 67 CB TYR A 10 -4.510 2.258 -10.084 1.00 0.00 C ATOM 68 CG TYR A 10 -4.041 3.711 -9.977 1.00 0.00 C ATOM 69 CD1 TYR A 10 -2.718 4.027 -10.215 1.00 0.00 C ATOM 70 CD2 TYR A 10 -4.939 4.704 -9.645 1.00 0.00 C ATOM 71 CE1 TYR A 10 -2.276 5.394 -10.115 1.00 0.00 C ATOM 72 CE2 TYR A 10 -4.497 6.070 -9.545 1.00 0.00 C ATOM 73 CZ TYR A 10 -3.187 6.348 -9.785 1.00 0.00 C ATOM 74 OH TYR A 10 -2.770 7.639 -9.689 1.00 0.00 O ATOM 0 H TYR A 10 -6.336 3.026 -11.458 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.741 1.829 -12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.465 2.156 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.797 1.618 -9.564 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.015 3.250 -10.476 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.974 4.456 -9.460 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.244 5.656 -10.298 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.190 6.857 -9.285 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.367 8.215 -10.211 1.00 0.00 H new ATOM 75 N ASP A 11 -6.100 0.011 -10.685 1.00 0.00 N ATOM 76 CA ASP A 11 -6.607 -1.345 -10.558 1.00 0.00 C ATOM 77 C ASP A 11 -5.438 -2.300 -10.312 1.00 0.00 C ATOM 78 O ASP A 11 -5.026 -3.029 -11.213 1.00 0.00 O ATOM 79 CB ASP A 11 -7.317 -1.789 -11.839 1.00 0.00 C ATOM 80 CG ASP A 11 -8.837 -1.602 -11.834 1.00 0.00 C ATOM 81 OD1 ASP A 11 -9.488 -2.464 -11.129 1.00 0.00 O ATOM 82 OD2 ASP A 11 -9.368 -0.681 -12.470 1.00 0.00 O ATOM 0 H ASP A 11 -6.581 0.702 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.313 -1.365 -9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.900 -1.233 -12.679 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.096 -2.842 -12.013 1.00 0.00 H new ATOM 83 N GLY A 12 -4.938 -2.267 -9.084 1.00 0.00 N ATOM 84 CA GLY A 12 -3.824 -3.122 -8.708 1.00 0.00 C ATOM 85 C GLY A 12 -2.678 -2.299 -8.115 1.00 0.00 C ATOM 86 O GLY A 12 -1.508 -2.595 -8.353 1.00 0.00 O ATOM 0 H GLY A 12 -5.283 -1.663 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.158 -3.863 -7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.470 -3.669 -9.582 1.00 0.00 H new ATOM 87 N TYR A 13 -3.055 -1.281 -7.354 1.00 0.00 N ATOM 88 CA TYR A 13 -2.074 -0.413 -6.725 1.00 0.00 C ATOM 89 C TYR A 13 -1.927 -0.740 -5.238 1.00 0.00 C ATOM 90 O TYR A 13 -1.063 -0.187 -4.559 1.00 0.00 O ATOM 91 CB TYR A 13 -2.614 1.010 -6.872 1.00 0.00 C ATOM 92 CG TYR A 13 -1.526 2.074 -7.042 1.00 0.00 C ATOM 93 CD1 TYR A 13 -0.885 2.217 -8.255 1.00 0.00 C ATOM 94 CD2 TYR A 13 -1.188 2.890 -5.981 1.00 0.00 C ATOM 95 CE1 TYR A 13 0.138 3.218 -8.413 1.00 0.00 C ATOM 96 CE2 TYR A 13 -0.165 3.890 -6.139 1.00 0.00 C ATOM 97 CZ TYR A 13 0.448 4.005 -7.348 1.00 0.00 C ATOM 98 OH TYR A 13 1.414 4.951 -7.499 1.00 0.00 O ATOM 0 H TYR A 13 -4.026 -1.038 -7.159 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.096 -0.538 -7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.282 1.047 -7.733 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.212 1.253 -5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.150 1.579 -9.085 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.691 2.778 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.648 3.341 -9.357 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.110 4.534 -5.317 1.00 0.00 H new ATOM 0 HH TYR A 13 1.657 5.313 -6.621 1.00 0.00 H new ATOM 99 N CYS A 14 -2.786 -1.635 -4.772 1.00 0.00 N ATOM 100 CA CYS A 14 -2.763 -2.042 -3.378 1.00 0.00 C ATOM 101 C CYS A 14 -2.808 -3.570 -3.322 1.00 0.00 C ATOM 102 O CYS A 14 -3.825 -4.177 -3.654 1.00 0.00 O ATOM 103 CB CYS A 14 -3.908 -1.407 -2.586 1.00 0.00 C ATOM 104 SG CYS A 14 -4.580 0.134 -3.309 1.00 0.00 S ATOM 0 H CYS A 14 -3.503 -2.090 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.844 -1.690 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.716 -2.133 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.558 -1.195 -1.576 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.630 0.776 -3.922 1.00 0.00 H new ATOM 105 N LEU A 15 -1.696 -4.148 -2.899 1.00 0.00 N ATOM 106 CA LEU A 15 -1.595 -5.594 -2.794 1.00 0.00 C ATOM 107 C LEU A 15 -1.188 -5.972 -1.368 1.00 0.00 C ATOM 108 O LEU A 15 -0.887 -5.100 -0.554 1.00 0.00 O ATOM 109 CB LEU A 15 -0.654 -6.145 -3.867 1.00 0.00 C ATOM 110 CG LEU A 15 -0.767 -5.503 -5.251 1.00 0.00 C ATOM 111 CD1 LEU A 15 -2.173 -5.688 -5.828 1.00 0.00 C ATOM 112 CD2 LEU A 15 -0.354 -4.030 -5.211 1.00 0.00 C ATOM 0 H LEU A 15 -0.855 -3.641 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.564 -6.057 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.372 -6.029 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.837 -7.215 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.073 -6.013 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.227 -5.223 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.393 -6.752 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.902 -5.221 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.444 -3.600 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.003 -3.489 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.680 -3.951 -4.874 1.00 0.00 H new ATOM 113 N ASN A 16 -1.193 -7.270 -1.110 1.00 0.00 N ATOM 114 CA ASN A 16 -0.828 -7.774 0.204 1.00 0.00 C ATOM 115 C ASN A 16 -1.663 -7.061 1.268 1.00 0.00 C ATOM 116 O ASN A 16 -1.133 -6.290 2.066 1.00 0.00 O ATOM 117 CB ASN A 16 0.648 -7.509 0.505 1.00 0.00 C ATOM 118 CG ASN A 16 1.544 -8.085 -0.592 1.00 0.00 C ATOM 119 OD1 ASN A 16 2.415 -7.215 -1.094 1.00 0.00 O flip ATOM 120 ND2 ASN A 16 1.451 -9.245 -0.959 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.444 -7.989 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.011 -8.848 0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.818 -6.436 0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.912 -7.952 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.760 -9.861 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.064 -9.598 -1.693 1.00 0.00 H new ATOM 121 N GLY A 17 -2.958 -7.343 1.246 1.00 0.00 N ATOM 122 CA GLY A 17 -3.873 -6.738 2.199 1.00 0.00 C ATOM 123 C GLY A 17 -3.679 -5.221 2.259 1.00 0.00 C ATOM 124 O GLY A 17 -3.859 -4.609 3.311 1.00 0.00 O ATOM 0 H GLY A 17 -3.395 -7.983 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.901 -6.966 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.711 -7.168 3.187 1.00 0.00 H new ATOM 125 N GLY A 18 -3.315 -4.657 1.116 1.00 0.00 N ATOM 126 CA GLY A 18 -3.094 -3.225 1.024 1.00 0.00 C ATOM 127 C GLY A 18 -4.409 -2.483 0.775 1.00 0.00 C ATOM 128 O GLY A 18 -5.384 -3.079 0.324 1.00 0.00 O ATOM 0 H GLY A 18 -3.168 -5.168 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.637 -2.864 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.394 -3.012 0.216 1.00 0.00 H new ATOM 129 N VAL A 19 -4.388 -1.193 1.077 1.00 0.00 N ATOM 130 CA VAL A 19 -5.568 -0.363 0.892 1.00 0.00 C ATOM 131 C VAL A 19 -5.286 0.678 -0.194 1.00 0.00 C ATOM 132 O VAL A 19 -4.147 0.828 -0.634 1.00 0.00 O ATOM 133 CB VAL A 19 -5.984 0.259 2.225 1.00 0.00 C ATOM 134 CG1 VAL A 19 -7.277 1.064 2.073 1.00 0.00 C ATOM 135 CG2 VAL A 19 -6.128 -0.811 3.308 1.00 0.00 C ATOM 0 H VAL A 19 -3.574 -0.702 1.448 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.411 -0.965 0.554 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.196 0.945 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.552 1.496 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.125 1.862 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.076 0.407 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.425 -0.342 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.887 -1.533 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.175 -1.322 3.444 1.00 0.00 H new ATOM 136 N CYS A 20 -6.342 1.372 -0.592 1.00 0.00 N ATOM 137 CA CYS A 20 -6.224 2.395 -1.616 1.00 0.00 C ATOM 138 C CYS A 20 -6.486 3.756 -0.968 1.00 0.00 C ATOM 139 O CYS A 20 -7.388 3.892 -0.143 1.00 0.00 O ATOM 140 CB CYS A 20 -7.166 2.133 -2.792 1.00 0.00 C ATOM 141 SG CYS A 20 -6.446 2.461 -4.442 1.00 0.00 S ATOM 0 H CYS A 20 -7.284 1.245 -0.223 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.217 2.379 -2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.491 1.093 -2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.056 2.750 -2.671 1.00 0.00 H new ATOM 142 N MET A 21 -5.680 4.731 -1.366 1.00 0.00 N ATOM 143 CA MET A 21 -5.815 6.076 -0.834 1.00 0.00 C ATOM 144 C MET A 21 -5.283 7.113 -1.827 1.00 0.00 C ATOM 145 O MET A 21 -4.465 6.793 -2.686 1.00 0.00 O ATOM 146 CB MET A 21 -5.040 6.184 0.481 1.00 0.00 C ATOM 147 CG MET A 21 -5.965 5.976 1.681 1.00 0.00 C ATOM 148 SD MET A 21 -6.947 7.441 1.958 1.00 0.00 S ATOM 149 CE MET A 21 -8.032 6.849 3.246 1.00 0.00 C ATOM 0 H MET A 21 -4.932 4.616 -2.050 1.00 0.00 H new ATOM 0 HA MET A 21 -6.873 6.275 -0.660 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.242 5.441 0.499 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.566 7.163 0.548 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.616 5.120 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.376 5.750 2.570 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.717 7.645 3.539 1.00 0.00 H new ATOM 0 HE2 MET A 21 -8.603 5.997 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.440 6.544 4.109 1.00 0.00 H new ATOM 150 N HIS A 22 -5.773 8.335 -1.675 1.00 0.00 N ATOM 151 CA HIS A 22 -5.357 9.421 -2.545 1.00 0.00 C ATOM 152 C HIS A 22 -4.521 10.425 -1.752 1.00 0.00 C ATOM 153 O HIS A 22 -4.618 10.490 -0.526 1.00 0.00 O ATOM 154 CB HIS A 22 -6.569 10.065 -3.226 1.00 0.00 C ATOM 155 CG HIS A 22 -6.241 10.786 -4.510 1.00 0.00 C ATOM 156 ND1 HIS A 22 -6.871 11.955 -4.897 1.00 0.00 N ATOM 157 CD2 HIS A 22 -5.341 10.491 -5.494 1.00 0.00 C ATOM 158 CE1 HIS A 22 -6.367 12.339 -6.060 1.00 0.00 C ATOM 159 NE2 HIS A 22 -5.420 11.428 -6.428 1.00 0.00 N ATOM 0 H HIS A 22 -6.454 8.596 -0.962 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.727 9.030 -3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.309 9.292 -3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.030 10.769 -2.534 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.601 12.440 -4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.678 9.639 -5.509 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.655 13.218 -6.618 1.00 0.00 H new ATOM 160 N ILE A 23 -3.716 11.185 -2.481 1.00 0.00 N ATOM 161 CA ILE A 23 -2.863 12.183 -1.860 1.00 0.00 C ATOM 162 C ILE A 23 -3.375 13.579 -2.219 1.00 0.00 C ATOM 163 O ILE A 23 -3.045 14.557 -1.547 1.00 0.00 O ATOM 164 CB ILE A 23 -1.400 11.948 -2.241 1.00 0.00 C ATOM 165 CG1 ILE A 23 -1.106 10.455 -2.395 1.00 0.00 C ATOM 166 CG2 ILE A 23 -0.458 12.618 -1.239 1.00 0.00 C ATOM 167 CD1 ILE A 23 -0.398 9.905 -1.154 1.00 0.00 C ATOM 0 H ILE A 23 -3.637 11.129 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.904 12.097 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.221 12.412 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.037 9.912 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.484 10.292 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.576 12.435 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.647 13.691 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.631 12.205 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.200 8.842 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.544 10.434 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.033 10.048 -0.280 1.00 0.00 H new ATOM 168 N GLU A 24 -4.172 13.630 -3.275 1.00 0.00 N ATOM 169 CA GLU A 24 -4.733 14.891 -3.731 1.00 0.00 C ATOM 170 C GLU A 24 -3.623 15.924 -3.930 1.00 0.00 C ATOM 171 O GLU A 24 -2.479 15.695 -3.541 1.00 0.00 O ATOM 172 CB GLU A 24 -5.791 15.405 -2.753 1.00 0.00 C ATOM 173 CG GLU A 24 -6.987 15.999 -3.501 1.00 0.00 C ATOM 174 CD GLU A 24 -8.118 16.352 -2.535 1.00 0.00 C ATOM 175 OE1 GLU A 24 -8.987 15.510 -2.262 1.00 0.00 O ATOM 176 OE2 GLU A 24 -8.075 17.550 -2.059 1.00 0.00 O ATOM 0 H GLU A 24 -4.443 12.818 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.223 14.723 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.127 14.589 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.353 16.161 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.675 16.892 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.347 15.286 -4.243 1.00 0.00 H new ATOM 177 N SER A 25 -4.000 17.041 -4.535 1.00 0.00 N ATOM 178 CA SER A 25 -3.050 18.110 -4.792 1.00 0.00 C ATOM 179 C SER A 25 -2.170 17.754 -5.992 1.00 0.00 C ATOM 180 O SER A 25 -1.641 18.640 -6.663 1.00 0.00 O ATOM 181 CB SER A 25 -2.182 18.383 -3.561 1.00 0.00 C ATOM 182 OG SER A 25 -0.889 17.796 -3.679 1.00 0.00 O ATOM 0 H SER A 25 -4.950 17.229 -4.855 1.00 0.00 H new ATOM 0 HA SER A 25 -3.611 19.017 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.080 19.459 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.678 17.991 -2.673 1.00 0.00 H new ATOM 0 HG SER A 25 -0.971 16.819 -3.673 1.00 0.00 H new ATOM 183 N LEU A 26 -2.043 16.457 -6.226 1.00 0.00 N ATOM 184 CA LEU A 26 -1.237 15.972 -7.335 1.00 0.00 C ATOM 185 C LEU A 26 -1.906 14.739 -7.945 1.00 0.00 C ATOM 186 O LEU A 26 -1.278 13.997 -8.699 1.00 0.00 O ATOM 187 CB LEU A 26 0.204 15.730 -6.883 1.00 0.00 C ATOM 188 CG LEU A 26 1.188 16.875 -7.136 1.00 0.00 C ATOM 189 CD1 LEU A 26 2.335 16.846 -6.122 1.00 0.00 C ATOM 190 CD2 LEU A 26 1.697 16.851 -8.578 1.00 0.00 C ATOM 0 H LEU A 26 -2.484 15.726 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.178 16.724 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.197 15.513 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.577 14.839 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 26 0.659 17.818 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.020 17.670 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.932 16.947 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.870 15.900 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.394 17.675 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.205 15.905 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.855 16.956 -9.263 1.00 0.00 H new ATOM 191 N ASP A 27 -3.171 14.558 -7.597 1.00 0.00 N ATOM 192 CA ASP A 27 -3.932 13.428 -8.102 1.00 0.00 C ATOM 193 C ASP A 27 -3.119 12.147 -7.911 1.00 0.00 C ATOM 194 O ASP A 27 -3.350 11.152 -8.598 1.00 0.00 O ATOM 195 CB ASP A 27 -4.226 13.583 -9.595 1.00 0.00 C ATOM 196 CG ASP A 27 -5.693 13.395 -9.987 1.00 0.00 C ATOM 197 OD1 ASP A 27 -6.541 14.258 -9.723 1.00 0.00 O ATOM 198 OD2 ASP A 27 -5.953 12.291 -10.602 1.00 0.00 O ATOM 0 H ASP A 27 -3.689 15.175 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.873 13.383 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.905 14.575 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.623 12.861 -10.146 1.00 0.00 H new ATOM 199 N SER A 28 -2.186 12.209 -6.973 1.00 0.00 N ATOM 200 CA SER A 28 -1.338 11.065 -6.683 1.00 0.00 C ATOM 201 C SER A 28 -2.076 10.086 -5.770 1.00 0.00 C ATOM 202 O SER A 28 -2.394 10.415 -4.629 1.00 0.00 O ATOM 203 CB SER A 28 -0.022 11.505 -6.036 1.00 0.00 C ATOM 204 OG SER A 28 0.057 12.921 -5.895 1.00 0.00 O ATOM 0 H SER A 28 -1.998 13.034 -6.403 1.00 0.00 H new ATOM 0 HA SER A 28 -1.101 10.567 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.074 11.037 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.814 11.154 -6.640 1.00 0.00 H new ATOM 0 HG SER A 28 0.910 13.161 -5.477 1.00 0.00 H new ATOM 205 N TYR A 29 -2.325 8.899 -6.306 1.00 0.00 N ATOM 206 CA TYR A 29 -3.020 7.869 -5.554 1.00 0.00 C ATOM 207 C TYR A 29 -2.030 6.874 -4.945 1.00 0.00 C ATOM 208 O TYR A 29 -1.183 6.326 -5.647 1.00 0.00 O ATOM 209 CB TYR A 29 -3.905 7.135 -6.563 1.00 0.00 C ATOM 210 CG TYR A 29 -5.156 7.915 -6.976 1.00 0.00 C ATOM 211 CD1 TYR A 29 -5.090 8.822 -8.015 1.00 0.00 C ATOM 212 CD2 TYR A 29 -6.347 7.712 -6.311 1.00 0.00 C ATOM 213 CE1 TYR A 29 -6.267 9.557 -8.403 1.00 0.00 C ATOM 214 CE2 TYR A 29 -7.523 8.445 -6.700 1.00 0.00 C ATOM 215 CZ TYR A 29 -7.424 9.331 -7.728 1.00 0.00 C ATOM 216 OH TYR A 29 -8.536 10.024 -8.095 1.00 0.00 O ATOM 0 H TYR A 29 -2.057 8.629 -7.252 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.593 8.310 -4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.317 6.914 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.209 6.179 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.157 8.980 -8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.397 7.003 -5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.230 10.271 -9.212 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.462 8.295 -6.188 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.289 9.759 -7.526 1.00 0.00 H new ATOM 217 N THR A 30 -2.169 6.673 -3.642 1.00 0.00 N ATOM 218 CA THR A 30 -1.299 5.753 -2.930 1.00 0.00 C ATOM 219 C THR A 30 -2.043 4.457 -2.600 1.00 0.00 C ATOM 220 O THR A 30 -3.155 4.240 -3.078 1.00 0.00 O ATOM 221 CB THR A 30 -0.759 6.475 -1.692 1.00 0.00 C ATOM 222 OG1 THR A 30 0.009 5.482 -1.019 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.863 6.833 -0.696 1.00 0.00 C ATOM 0 H THR A 30 -2.871 7.132 -3.062 1.00 0.00 H new ATOM 0 HA THR A 30 -0.452 5.455 -3.548 1.00 0.00 H new ATOM 0 HB THR A 30 -0.239 7.383 -1.998 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.398 5.865 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.427 7.343 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.589 7.489 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.362 5.923 -0.363 1.00 0.00 H new ATOM 224 N CYS A 31 -1.400 3.634 -1.786 1.00 0.00 N ATOM 225 CA CYS A 31 -1.990 2.368 -1.387 1.00 0.00 C ATOM 226 C CYS A 31 -1.279 1.884 -0.121 1.00 0.00 C ATOM 227 O CYS A 31 -0.051 1.868 -0.062 1.00 0.00 O ATOM 228 CB CYS A 31 -1.916 1.331 -2.511 1.00 0.00 C ATOM 229 SG CYS A 31 -3.471 1.109 -3.452 1.00 0.00 S ATOM 0 H CYS A 31 -0.477 3.819 -1.392 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.050 2.509 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.127 1.622 -3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.626 0.371 -2.083 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.347 0.503 -2.707 1.00 0.00 H new ATOM 230 N ASN A 32 -2.083 1.504 0.861 1.00 0.00 N ATOM 231 CA ASN A 32 -1.547 1.023 2.123 1.00 0.00 C ATOM 232 C ASN A 32 -1.096 -0.428 1.960 1.00 0.00 C ATOM 233 O ASN A 32 -1.572 -1.134 1.074 1.00 0.00 O ATOM 234 CB ASN A 32 -2.608 1.069 3.226 1.00 0.00 C ATOM 235 CG ASN A 32 -1.961 1.042 4.611 1.00 0.00 C ATOM 236 OD1 ASN A 32 -0.760 0.887 4.760 1.00 0.00 O ATOM 237 ND2 ASN A 32 -2.820 1.202 5.612 1.00 0.00 N ATOM 0 H ASN A 32 -3.102 1.519 0.808 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.711 1.665 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.209 1.972 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.284 0.221 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.486 1.200 6.576 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.813 1.327 5.417 1.00 0.00 H new ATOM 238 N CYS A 33 -0.183 -0.832 2.832 1.00 0.00 N ATOM 239 CA CYS A 33 0.337 -2.189 2.795 1.00 0.00 C ATOM 240 C CYS A 33 0.023 -2.861 4.134 1.00 0.00 C ATOM 241 O CYS A 33 -0.972 -2.533 4.777 1.00 0.00 O ATOM 242 CB CYS A 33 1.836 -2.211 2.483 1.00 0.00 C ATOM 243 SG CYS A 33 2.385 -3.629 1.465 1.00 0.00 S ATOM 0 H CYS A 33 0.209 -0.244 3.567 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.144 -2.744 1.990 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.099 -1.288 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.389 -2.220 3.422 1.00 0.00 H new ATOM 0 HG CYS A 33 1.351 -4.200 0.922 1.00 0.00 H new ATOM 244 N VAL A 34 0.892 -3.785 4.513 1.00 0.00 N ATOM 245 CA VAL A 34 0.721 -4.505 5.764 1.00 0.00 C ATOM 246 C VAL A 34 2.071 -5.064 6.216 1.00 0.00 C ATOM 247 O VAL A 34 3.118 -4.627 5.741 1.00 0.00 O ATOM 248 CB VAL A 34 -0.350 -5.587 5.603 1.00 0.00 C ATOM 249 CG1 VAL A 34 0.253 -6.879 5.051 1.00 0.00 C ATOM 250 CG2 VAL A 34 -1.078 -5.842 6.926 1.00 0.00 C ATOM 0 H VAL A 34 1.717 -4.052 3.976 1.00 0.00 H new ATOM 0 HA VAL A 34 0.370 -3.832 6.546 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.083 -5.226 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.530 -7.630 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.701 -6.684 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.018 -7.245 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.833 -6.615 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.361 -6.170 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.559 -4.922 7.260 1.00 0.00 H new ATOM 251 N ILE A 35 2.003 -6.023 7.129 1.00 0.00 N ATOM 252 CA ILE A 35 3.207 -6.646 7.649 1.00 0.00 C ATOM 253 C ILE A 35 3.806 -7.561 6.580 1.00 0.00 C ATOM 254 O ILE A 35 3.109 -8.405 6.017 1.00 0.00 O ATOM 255 CB ILE A 35 2.913 -7.357 8.973 1.00 0.00 C ATOM 256 CG1 ILE A 35 2.132 -6.446 9.921 1.00 0.00 C ATOM 257 CG2 ILE A 35 4.202 -7.882 9.611 1.00 0.00 C ATOM 258 CD1 ILE A 35 1.618 -7.228 11.131 1.00 0.00 C ATOM 0 H ILE A 35 1.133 -6.383 7.521 1.00 0.00 H new ATOM 0 HA ILE A 35 3.958 -5.890 7.879 1.00 0.00 H new ATOM 0 HB ILE A 35 2.282 -8.221 8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.772 -5.629 10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.293 -5.997 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.966 -8.383 10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.682 -8.589 8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.878 -7.049 9.804 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.066 -6.558 11.790 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.960 -8.029 10.794 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.462 -7.656 11.673 1.00 0.00 H new ATOM 259 N GLY A 36 5.092 -7.366 6.331 1.00 0.00 N ATOM 260 CA GLY A 36 5.793 -8.163 5.338 1.00 0.00 C ATOM 261 C GLY A 36 5.717 -7.510 3.956 1.00 0.00 C ATOM 262 O GLY A 36 6.127 -8.104 2.962 1.00 0.00 O ATOM 0 H GLY A 36 5.668 -6.667 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.836 -8.281 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.359 -9.162 5.296 1.00 0.00 H new ATOM 263 N TYR A 37 5.188 -6.295 3.941 1.00 0.00 N ATOM 264 CA TYR A 37 5.053 -5.555 2.697 1.00 0.00 C ATOM 265 C TYR A 37 4.781 -4.073 2.969 1.00 0.00 C ATOM 266 O TYR A 37 4.054 -3.732 3.899 1.00 0.00 O ATOM 267 CB TYR A 37 3.847 -6.158 1.976 1.00 0.00 C ATOM 268 CG TYR A 37 3.914 -7.678 1.817 1.00 0.00 C ATOM 269 CD1 TYR A 37 3.468 -8.499 2.833 1.00 0.00 C ATOM 270 CD2 TYR A 37 4.421 -8.230 0.658 1.00 0.00 C ATOM 271 CE1 TYR A 37 3.532 -9.929 2.684 1.00 0.00 C ATOM 272 CE2 TYR A 37 4.485 -9.660 0.508 1.00 0.00 C ATOM 273 CZ TYR A 37 4.037 -10.440 1.528 1.00 0.00 C ATOM 274 OH TYR A 37 4.097 -11.791 1.388 1.00 0.00 O ATOM 0 H TYR A 37 4.848 -5.805 4.769 1.00 0.00 H new ATOM 0 HA TYR A 37 5.968 -5.623 2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.942 -5.900 2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.762 -5.703 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.071 -8.068 3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.770 -7.588 -0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.187 -10.582 3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.880 -10.104 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 37 3.370 -12.205 1.898 1.00 0.00 H new ATOM 275 N SER A 38 5.379 -3.232 2.136 1.00 0.00 N ATOM 276 CA SER A 38 5.210 -1.796 2.274 1.00 0.00 C ATOM 277 C SER A 38 5.613 -1.094 0.977 1.00 0.00 C ATOM 278 O SER A 38 6.273 -1.689 0.126 1.00 0.00 O ATOM 279 CB SER A 38 6.030 -1.254 3.447 1.00 0.00 C ATOM 280 OG SER A 38 5.737 0.113 3.719 1.00 0.00 O ATOM 0 H SER A 38 5.981 -3.519 1.364 1.00 0.00 H new ATOM 0 HA SER A 38 4.158 -1.595 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.829 -1.851 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.092 -1.360 3.226 1.00 0.00 H new ATOM 0 HG SER A 38 6.280 0.420 4.475 1.00 0.00 H new ATOM 281 N GLY A 39 5.201 0.160 0.866 1.00 0.00 N ATOM 282 CA GLY A 39 5.510 0.948 -0.314 1.00 0.00 C ATOM 283 C GLY A 39 4.270 1.684 -0.825 1.00 0.00 C ATOM 284 O GLY A 39 3.194 1.576 -0.236 1.00 0.00 O ATOM 0 H GLY A 39 4.655 0.650 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.293 1.669 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.900 0.298 -1.097 1.00 0.00 H new ATOM 285 N ASP A 40 4.459 2.414 -1.912 1.00 0.00 N ATOM 286 CA ASP A 40 3.369 3.168 -2.508 1.00 0.00 C ATOM 287 C ASP A 40 2.381 2.199 -3.161 1.00 0.00 C ATOM 288 O ASP A 40 1.264 2.582 -3.504 1.00 0.00 O ATOM 289 CB ASP A 40 3.884 4.118 -3.592 1.00 0.00 C ATOM 290 CG ASP A 40 2.828 5.053 -4.186 1.00 0.00 C ATOM 291 OD1 ASP A 40 2.565 6.099 -3.477 1.00 0.00 O ATOM 292 OD2 ASP A 40 2.283 4.796 -5.269 1.00 0.00 O ATOM 0 H ASP A 40 5.352 2.500 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 40 2.889 3.747 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.688 4.722 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.318 3.525 -4.398 1.00 0.00 H new ATOM 293 N ARG A 41 2.828 0.959 -3.311 1.00 0.00 N ATOM 294 CA ARG A 41 1.998 -0.068 -3.915 1.00 0.00 C ATOM 295 C ARG A 41 2.139 -1.384 -3.148 1.00 0.00 C ATOM 296 O ARG A 41 1.736 -2.438 -3.636 1.00 0.00 O ATOM 297 CB ARG A 41 2.382 -0.295 -5.379 1.00 0.00 C ATOM 298 CG ARG A 41 1.151 -0.627 -6.224 1.00 0.00 C ATOM 299 CD ARG A 41 1.557 -1.180 -7.591 1.00 0.00 C ATOM 300 NE ARG A 41 1.904 -2.613 -7.474 1.00 0.00 N ATOM 301 CZ ARG A 41 1.710 -3.522 -8.454 1.00 0.00 C ATOM 302 NH1 ARG A 41 2.647 -3.716 -9.406 1.00 0.00 N ATOM 303 NH2 ARG A 41 0.589 -4.219 -8.466 1.00 0.00 N ATOM 0 H ARG A 41 3.755 0.644 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 41 0.964 0.273 -3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.868 0.597 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.104 -1.108 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.533 -1.357 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.544 0.269 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.740 -1.052 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.408 -0.622 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 41 2.316 -2.935 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.511 -3.174 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.491 -4.405 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.114 -4.067 -7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.426 -4.910 -9.199 1.00 0.00 H new ATOM 304 N CYS A 42 2.709 -1.278 -1.957 1.00 0.00 N ATOM 305 CA CYS A 42 2.907 -2.447 -1.116 1.00 0.00 C ATOM 306 C CYS A 42 3.534 -3.551 -1.969 1.00 0.00 C ATOM 307 O CYS A 42 2.865 -4.522 -2.321 1.00 0.00 O ATOM 308 CB CYS A 42 1.602 -2.900 -0.461 1.00 0.00 C ATOM 309 SG CYS A 42 1.807 -4.075 0.928 1.00 0.00 S ATOM 0 H CYS A 42 3.040 -0.401 -1.554 1.00 0.00 H new ATOM 0 HA CYS A 42 3.580 -2.199 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.069 -2.021 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.973 -3.364 -1.221 1.00 0.00 H new ATOM 0 HG CYS A 42 2.778 -3.676 1.694 1.00 0.00 H new ATOM 310 N GLN A 43 4.808 -3.367 -2.278 1.00 0.00 N ATOM 311 CA GLN A 43 5.532 -4.337 -3.084 1.00 0.00 C ATOM 312 C GLN A 43 6.799 -4.790 -2.358 1.00 0.00 C ATOM 313 O GLN A 43 7.219 -5.938 -2.493 1.00 0.00 O ATOM 314 CB GLN A 43 5.864 -3.764 -4.463 1.00 0.00 C ATOM 315 CG GLN A 43 7.060 -4.490 -5.083 1.00 0.00 C ATOM 316 CD GLN A 43 8.378 -3.964 -4.508 1.00 0.00 C ATOM 317 OE1 GLN A 43 9.026 -4.600 -3.693 1.00 0.00 O ATOM 318 NE2 GLN A 43 8.736 -2.773 -4.976 1.00 0.00 N ATOM 0 H GLN A 43 5.359 -2.560 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 43 4.892 -5.207 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.998 -3.857 -5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.085 -2.700 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.978 -5.560 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.051 -4.355 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.147 -2.295 -5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.600 -2.337 -4.654 1.00 0.00 H new ATOM 319 N THR A 44 7.373 -3.865 -1.602 1.00 0.00 N ATOM 320 CA THR A 44 8.585 -4.155 -0.855 1.00 0.00 C ATOM 321 C THR A 44 8.285 -5.126 0.289 1.00 0.00 C ATOM 322 O THR A 44 7.705 -4.738 1.302 1.00 0.00 O ATOM 323 CB THR A 44 9.179 -2.827 -0.383 1.00 0.00 C ATOM 324 OG1 THR A 44 9.891 -2.342 -1.519 1.00 0.00 O ATOM 325 CG2 THR A 44 10.260 -3.015 0.682 1.00 0.00 C ATOM 0 H THR A 44 7.021 -2.914 -1.491 1.00 0.00 H new ATOM 0 HA THR A 44 9.325 -4.655 -1.480 1.00 0.00 H new ATOM 0 HB THR A 44 8.385 -2.195 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.692 -2.906 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.648 -2.042 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.833 -3.518 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.071 -3.619 0.275 1.00 0.00 H new ATOM 326 N ARG A 45 8.696 -6.370 0.090 1.00 0.00 N ATOM 327 CA ARG A 45 8.479 -7.401 1.091 1.00 0.00 C ATOM 328 C ARG A 45 9.444 -7.212 2.263 1.00 0.00 C ATOM 329 O ARG A 45 10.651 -7.080 2.063 1.00 0.00 O ATOM 330 CB ARG A 45 8.675 -8.797 0.496 1.00 0.00 C ATOM 331 CG ARG A 45 7.391 -9.621 0.601 1.00 0.00 C ATOM 332 CD ARG A 45 7.652 -11.087 0.253 1.00 0.00 C ATOM 333 NE ARG A 45 6.368 -11.800 0.064 1.00 0.00 N ATOM 334 CZ ARG A 45 6.000 -12.403 -1.086 1.00 0.00 C ATOM 335 NH1 ARG A 45 6.352 -13.682 -1.333 1.00 0.00 N ATOM 336 NH2 ARG A 45 5.289 -11.724 -1.966 1.00 0.00 N ATOM 0 H ARG A 45 9.179 -6.687 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 45 7.451 -7.311 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.973 -8.713 -0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.484 -9.309 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.990 -9.549 1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.636 -9.213 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.251 -11.152 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.227 -11.561 1.048 1.00 0.00 H new ATOM 0 HE ARG A 45 5.721 -11.838 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.901 -14.201 -0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.069 -14.129 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.025 -10.758 -1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.003 -12.165 -2.840 1.00 0.00 H new ATOM 337 N ASP A 46 8.877 -7.205 3.460 1.00 0.00 N ATOM 338 CA ASP A 46 9.672 -7.036 4.665 1.00 0.00 C ATOM 339 C ASP A 46 10.588 -8.248 4.841 1.00 0.00 C ATOM 340 O ASP A 46 11.083 -8.805 3.862 1.00 0.00 O ATOM 341 CB ASP A 46 8.782 -6.934 5.903 1.00 0.00 C ATOM 342 CG ASP A 46 9.334 -6.055 7.027 1.00 0.00 C ATOM 343 OD1 ASP A 46 9.458 -4.831 6.877 1.00 0.00 O ATOM 344 OD2 ASP A 46 9.647 -6.686 8.107 1.00 0.00 O ATOM 0 H ASP A 46 7.876 -7.314 3.622 1.00 0.00 H new ATOM 0 HA ASP A 46 10.250 -6.118 4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.810 -6.544 5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.615 -7.937 6.295 1.00 0.00 H new ATOM 345 N LEU A 47 10.787 -8.623 6.094 1.00 0.00 N ATOM 346 CA LEU A 47 11.636 -9.759 6.412 1.00 0.00 C ATOM 347 C LEU A 47 11.147 -10.409 7.708 1.00 0.00 C ATOM 348 O LEU A 47 11.049 -11.633 7.793 1.00 0.00 O ATOM 349 CB LEU A 47 13.106 -9.334 6.453 1.00 0.00 C ATOM 350 CG LEU A 47 13.601 -8.515 5.261 1.00 0.00 C ATOM 351 CD1 LEU A 47 14.986 -7.927 5.538 1.00 0.00 C ATOM 352 CD2 LEU A 47 13.576 -9.344 3.977 1.00 0.00 C ATOM 0 H LEU A 47 10.374 -8.160 6.904 1.00 0.00 H new ATOM 0 HA LEU A 47 11.568 -10.516 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.270 -8.753 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.721 -10.231 6.533 1.00 0.00 H new ATOM 0 HG LEU A 47 12.919 -7.677 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.315 -7.349 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.937 -7.278 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.693 -8.735 5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.933 -8.737 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.221 -10.215 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.556 -9.672 3.775 1.00 0.00 H new ATOM 353 N ARG A 48 10.854 -9.563 8.683 1.00 0.00 N ATOM 354 CA ARG A 48 10.378 -10.041 9.970 1.00 0.00 C ATOM 355 C ARG A 48 9.929 -8.864 10.841 1.00 0.00 C ATOM 356 O ARG A 48 10.569 -8.551 11.843 1.00 0.00 O ATOM 357 CB ARG A 48 11.466 -10.824 10.705 1.00 0.00 C ATOM 358 CG ARG A 48 11.158 -12.322 10.705 1.00 0.00 C ATOM 359 CD ARG A 48 12.413 -13.139 11.021 1.00 0.00 C ATOM 360 NE ARG A 48 12.188 -14.563 10.681 1.00 0.00 N ATOM 361 CZ ARG A 48 12.575 -15.134 9.519 1.00 0.00 C ATOM 362 NH1 ARG A 48 11.764 -15.102 8.440 1.00 0.00 N ATOM 363 NH2 ARG A 48 13.754 -15.723 9.456 1.00 0.00 N ATOM 0 H ARG A 48 10.937 -8.549 8.608 1.00 0.00 H new ATOM 0 HA ARG A 48 9.533 -10.704 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.431 -10.647 10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.547 -10.466 11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.384 -12.538 11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.763 -12.616 9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.261 -12.751 10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.663 -13.044 12.078 1.00 0.00 H new ATOM 0 HE ARG A 48 11.711 -15.149 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.854 -14.645 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.061 -15.535 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.359 -15.743 10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.061 -16.159 8.586 1.00 0.00 H new ATOM 364 N TRP A 49 8.835 -8.245 10.425 1.00 0.00 N ATOM 365 CA TRP A 49 8.293 -7.110 11.153 1.00 0.00 C ATOM 366 C TRP A 49 7.552 -7.646 12.380 1.00 0.00 C ATOM 367 O TRP A 49 7.147 -6.876 13.250 1.00 0.00 O ATOM 368 CB TRP A 49 7.410 -6.249 10.251 1.00 0.00 C ATOM 369 CG TRP A 49 6.494 -5.285 11.009 1.00 0.00 C ATOM 370 CD1 TRP A 49 6.548 -3.948 11.038 1.00 0.00 C ATOM 371 CD2 TRP A 49 5.379 -5.644 11.853 1.00 0.00 C ATOM 372 NE1 TRP A 49 5.552 -3.420 11.837 1.00 0.00 N ATOM 373 CE2 TRP A 49 4.821 -4.485 12.347 1.00 0.00 C ATOM 374 CE3 TRP A 49 4.862 -6.909 12.187 1.00 0.00 C ATOM 375 CZ2 TRP A 49 3.713 -4.472 13.203 1.00 0.00 C ATOM 376 CZ3 TRP A 49 3.755 -6.879 13.043 1.00 0.00 C ATOM 377 CH2 TRP A 49 3.180 -5.719 13.551 1.00 0.00 C ATOM 0 H TRP A 49 8.308 -8.508 9.592 1.00 0.00 H new ATOM 0 HA TRP A 49 9.093 -6.451 11.489 1.00 0.00 H new ATOM 0 HB2 TRP A 49 8.047 -5.675 9.578 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.797 -6.902 9.630 1.00 0.00 H new ATOM 0 HD1 TRP A 49 7.278 -3.357 10.505 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.385 -2.430 12.019 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.285 -7.829 11.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 3.292 -3.550 13.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.316 -7.823 13.329 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.327 -5.780 14.210 1.00 0.00 H new ATOM 378 N TRP A 50 7.399 -8.962 12.412 1.00 0.00 N ATOM 379 CA TRP A 50 6.713 -9.608 13.517 1.00 0.00 C ATOM 380 C TRP A 50 7.754 -9.946 14.587 1.00 0.00 C ATOM 381 O TRP A 50 7.458 -10.660 15.542 1.00 0.00 O ATOM 382 CB TRP A 50 5.932 -10.833 13.037 1.00 0.00 C ATOM 383 CG TRP A 50 5.732 -10.888 11.520 1.00 0.00 C ATOM 384 CD1 TRP A 50 6.659 -11.084 10.573 1.00 0.00 C ATOM 385 CD2 TRP A 50 4.484 -10.736 10.812 1.00 0.00 C ATOM 386 NE1 TRP A 50 6.102 -11.069 9.310 1.00 0.00 N ATOM 387 CE2 TRP A 50 4.736 -10.851 9.461 1.00 0.00 C ATOM 388 CE3 TRP A 50 3.184 -10.509 11.298 1.00 0.00 C ATOM 389 CZ2 TRP A 50 3.739 -10.754 8.483 1.00 0.00 C ATOM 390 CZ3 TRP A 50 2.198 -10.414 10.308 1.00 0.00 C ATOM 391 CH2 TRP A 50 2.436 -10.527 8.943 1.00 0.00 C ATOM 0 H TRP A 50 7.739 -9.598 11.690 1.00 0.00 H new ATOM 0 HA TRP A 50 5.969 -8.940 13.952 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.456 -11.734 13.357 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.956 -10.842 13.523 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.710 -11.235 10.772 1.00 0.00 H new ATOM 0 HE1 TRP A 50 6.600 -11.195 8.429 1.00 0.00 H new ATOM 0 HE3 TRP A 50 2.964 -10.415 12.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.963 -10.849 7.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.181 -10.241 10.628 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.620 -10.440 8.241 1.00 0.00 H new ATOM 392 N GLU A 51 8.951 -9.414 14.390 1.00 0.00 N ATOM 393 CA GLU A 51 10.037 -9.650 15.326 1.00 0.00 C ATOM 394 C GLU A 51 10.731 -8.332 15.677 1.00 0.00 C ATOM 395 O GLU A 51 10.914 -8.015 16.851 1.00 0.00 O ATOM 396 CB GLU A 51 11.038 -10.661 14.762 1.00 0.00 C ATOM 397 CG GLU A 51 10.388 -12.035 14.589 1.00 0.00 C ATOM 398 CD GLU A 51 11.379 -13.155 14.915 1.00 0.00 C ATOM 399 OE1 GLU A 51 12.476 -13.199 14.340 1.00 0.00 O ATOM 400 OE2 GLU A 51 10.974 -13.998 15.805 1.00 0.00 O ATOM 0 H GLU A 51 9.193 -8.821 13.596 1.00 0.00 H new ATOM 0 HA GLU A 51 9.617 -10.073 16.239 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.414 -10.309 13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.895 -10.741 15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.517 -12.114 15.240 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.032 -12.146 13.565 1.00 0.00 H new ATOM 401 N LEU A 52 11.099 -7.597 14.636 1.00 0.00 N ATOM 402 CA LEU A 52 11.769 -6.320 14.819 1.00 0.00 C ATOM 403 C LEU A 52 11.032 -5.244 14.019 1.00 0.00 C ATOM 404 O LEU A 52 10.485 -5.524 12.954 1.00 0.00 O ATOM 405 CB LEU A 52 13.253 -6.439 14.471 1.00 0.00 C ATOM 406 CG LEU A 52 13.580 -6.665 12.994 1.00 0.00 C ATOM 407 CD1 LEU A 52 14.465 -5.541 12.449 1.00 0.00 C ATOM 408 CD2 LEU A 52 14.207 -8.045 12.775 1.00 0.00 C ATOM 0 H LEU A 52 10.946 -7.862 13.663 1.00 0.00 H new ATOM 0 HA LEU A 52 11.736 -6.018 15.866 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.757 -5.530 14.799 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.676 -7.263 15.046 1.00 0.00 H new ATOM 0 HG LEU A 52 12.647 -6.642 12.431 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.682 -5.727 11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.946 -4.588 12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.398 -5.507 13.012 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.430 -8.180 11.717 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.128 -8.122 13.352 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.510 -8.817 13.100 1.00 0.00 H new ATOM 409 N ARG A 53 11.045 -4.036 14.562 1.00 0.00 N ATOM 410 CA ARG A 53 10.386 -2.916 13.911 1.00 0.00 C ATOM 411 C ARG A 53 11.264 -2.365 12.787 1.00 0.00 C ATOM 412 O ARG A 53 10.756 -1.916 11.760 1.00 0.00 O ATOM 413 CB ARG A 53 10.085 -1.798 14.911 1.00 0.00 C ATOM 414 CG ARG A 53 8.992 -2.220 15.893 1.00 0.00 C ATOM 415 CD ARG A 53 8.776 -1.150 16.967 1.00 0.00 C ATOM 416 NE ARG A 53 8.149 0.048 16.367 1.00 0.00 N ATOM 417 CZ ARG A 53 8.689 1.284 16.403 1.00 0.00 C ATOM 418 NH1 ARG A 53 9.843 1.494 15.797 1.00 0.00 N ATOM 419 NH2 ARG A 53 8.060 2.288 17.047 1.00 0.00 N ATOM 420 OXT ARG A 53 12.534 -2.413 13.012 1.00 0.00 O ATOM 0 H ARG A 53 11.501 -3.808 15.445 1.00 0.00 H new ATOM 0 HA ARG A 53 9.446 -3.279 13.496 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.992 -1.542 15.459 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.772 -0.901 14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.061 -2.392 15.354 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.266 -3.164 16.365 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.142 -1.543 17.762 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.729 -0.882 17.423 1.00 0.00 H new ATOM 0 HE ARG A 53 7.252 -0.068 15.896 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.311 0.728 15.312 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.266 2.422 15.814 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.169 2.116 17.512 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.476 3.219 17.069 1.00 0.00 H new TER 421 ARG A 53