USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 453 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 35 TYR OH : rot -159:sc= 0.769 USER MOD Set 1.2: A 46 TYR OH : rot -12:sc= -0.703! USER MOD Set 2.1: A 11 ASN :FLIP amide:sc= -0.0638 F(o=-1.7,f=-0.022) USER MOD Set 2.2: A 56 THR OG1 : rot 101:sc= 0.0415 USER MOD Single : A 1 LYS N :NH3+ -174:sc= 0.157 (180deg=0.136) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= -0.51 (180deg=-1.7) USER MOD Single : A 5 TYR OH : rot -179:sc= -0.535! USER MOD Single : A 9 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= -4.39! (180deg=-5.8!) USER MOD Single : A 14 TYR OH : rot -15:sc= -3.29! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.2!) USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= -0.0989 (180deg=-0.583) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.0627 (180deg=-0.343) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -149:sc= -0.0643 (180deg=-0.433) USER MOD Single : A 42 SER OG : rot -13:sc= 0.236 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.806 K(o=-0.81,f=-6.4!) USER MOD Single : A 52 SER OG : rot -140:sc= -0.786 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= 0.0161 (180deg=-1.19) USER MOD Single : A 57 SER OG : rot 180:sc= -0.544 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.0598 K(o=0.06,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.063 14.306 2.501 1.00 0.00 N ATOM 2 CA LYS A 1 3.287 12.871 2.171 1.00 0.00 C ATOM 3 C LYS A 1 3.085 12.029 3.432 1.00 0.00 C ATOM 4 O LYS A 1 3.001 12.549 4.527 1.00 0.00 O ATOM 5 CB LYS A 1 4.718 12.677 1.665 1.00 0.00 C ATOM 6 CG LYS A 1 4.860 13.280 0.268 1.00 0.00 C ATOM 7 CD LYS A 1 6.309 13.142 -0.199 1.00 0.00 C ATOM 8 CE LYS A 1 7.203 14.047 0.651 1.00 0.00 C ATOM 9 NZ LYS A 1 7.615 15.234 -0.151 1.00 0.00 N ATOM 0 H1 LYS A 1 3.098 14.872 1.629 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.131 14.418 2.949 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.803 14.631 3.155 1.00 0.00 H new ATOM 0 HA LYS A 1 2.582 12.562 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.422 13.151 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.964 11.615 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.192 12.773 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.569 14.330 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.634 12.105 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.392 13.415 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.669 14.367 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.083 13.497 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.223 15.849 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.140 14.920 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.770 15.762 -0.448 1.00 0.00 H new ATOM 25 N LYS A 2 3.010 10.734 3.293 1.00 0.00 N ATOM 26 CA LYS A 2 2.820 9.877 4.497 1.00 0.00 C ATOM 27 C LYS A 2 2.965 8.402 4.116 1.00 0.00 C ATOM 28 O LYS A 2 2.591 7.991 3.036 1.00 0.00 O ATOM 29 CB LYS A 2 1.425 10.115 5.092 1.00 0.00 C ATOM 30 CG LYS A 2 0.426 10.457 3.979 1.00 0.00 C ATOM 31 CD LYS A 2 0.009 9.177 3.250 1.00 0.00 C ATOM 32 CE LYS A 2 -1.516 9.138 3.118 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.921 7.887 2.416 1.00 0.00 N ATOM 0 H LYS A 2 3.071 10.235 2.405 1.00 0.00 H new ATOM 0 HA LYS A 2 3.578 10.135 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.093 9.225 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.465 10.928 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.450 10.948 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.876 11.158 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.471 9.141 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.360 8.303 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.978 9.181 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.866 10.009 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.624 8.112 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.087 7.452 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.335 7.223 3.101 1.00 0.00 H new ATOM 47 N ASP A 3 3.481 7.597 5.006 1.00 0.00 N ATOM 48 CA ASP A 3 3.620 6.148 4.710 1.00 0.00 C ATOM 49 C ASP A 3 2.248 5.508 4.927 1.00 0.00 C ATOM 50 O ASP A 3 1.349 6.142 5.441 1.00 0.00 O ATOM 51 CB ASP A 3 4.628 5.534 5.680 1.00 0.00 C ATOM 52 CG ASP A 3 5.676 6.582 6.065 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.104 7.313 5.187 1.00 0.00 O ATOM 54 OD2 ASP A 3 6.032 6.634 7.231 1.00 0.00 O ATOM 0 H ASP A 3 3.812 7.885 5.927 1.00 0.00 H new ATOM 0 HA ASP A 3 3.966 5.986 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.116 5.173 6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.112 4.673 5.220 1.00 0.00 H new ATOM 59 N GLY A 4 2.058 4.272 4.560 1.00 0.00 N ATOM 60 CA GLY A 4 0.715 3.664 4.789 1.00 0.00 C ATOM 61 C GLY A 4 0.448 2.528 3.806 1.00 0.00 C ATOM 62 O GLY A 4 1.336 2.037 3.138 1.00 0.00 O ATOM 0 H GLY A 4 2.754 3.668 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.653 3.287 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.055 4.428 4.684 1.00 0.00 H new ATOM 66 N TYR A 5 -0.786 2.108 3.731 1.00 0.00 N ATOM 67 CA TYR A 5 -1.158 0.998 2.812 1.00 0.00 C ATOM 68 C TYR A 5 -1.976 1.554 1.633 1.00 0.00 C ATOM 69 O TYR A 5 -3.176 1.711 1.736 1.00 0.00 O ATOM 70 CB TYR A 5 -2.014 -0.014 3.575 1.00 0.00 C ATOM 71 CG TYR A 5 -1.221 -0.642 4.695 1.00 0.00 C ATOM 72 CD1 TYR A 5 -1.203 -0.051 5.963 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.517 -1.829 4.467 1.00 0.00 C ATOM 74 CE1 TYR A 5 -0.476 -0.646 7.001 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.209 -2.426 5.504 1.00 0.00 C ATOM 76 CZ TYR A 5 0.229 -1.834 6.772 1.00 0.00 C ATOM 77 OH TYR A 5 0.945 -2.419 7.798 1.00 0.00 O ATOM 0 H TYR A 5 -1.559 2.492 4.274 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.254 0.519 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.897 0.480 3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.366 -0.788 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.749 0.863 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.534 -2.286 3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.459 -0.188 7.979 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.753 -3.342 5.326 1.00 0.00 H new ATOM 0 HH TYR A 5 1.388 -3.228 7.468 1.00 0.00 H new ATOM 87 N PRO A 6 -1.299 1.833 0.546 1.00 0.00 N ATOM 88 CA PRO A 6 -1.939 2.374 -0.674 1.00 0.00 C ATOM 89 C PRO A 6 -2.982 1.409 -1.258 1.00 0.00 C ATOM 90 O PRO A 6 -2.757 0.217 -1.378 1.00 0.00 O ATOM 91 CB PRO A 6 -0.786 2.562 -1.669 1.00 0.00 C ATOM 92 CG PRO A 6 0.514 2.067 -0.987 1.00 0.00 C ATOM 93 CD PRO A 6 0.158 1.637 0.444 1.00 0.00 C ATOM 0 HA PRO A 6 -2.475 3.298 -0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.975 2.000 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.693 3.610 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.942 1.232 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.263 2.858 -0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.430 0.597 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.690 2.238 1.181 1.00 0.00 H new ATOM 101 N VAL A 7 -4.112 1.938 -1.651 1.00 0.00 N ATOM 102 CA VAL A 7 -5.181 1.095 -2.265 1.00 0.00 C ATOM 103 C VAL A 7 -5.484 1.644 -3.660 1.00 0.00 C ATOM 104 O VAL A 7 -5.398 2.833 -3.894 1.00 0.00 O ATOM 105 CB VAL A 7 -6.443 1.146 -1.401 1.00 0.00 C ATOM 106 CG1 VAL A 7 -6.120 0.619 -0.004 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.938 2.589 -1.296 1.00 0.00 C ATOM 0 H VAL A 7 -4.342 2.929 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.849 0.059 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.219 0.530 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.017 0.654 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.768 -0.410 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.344 1.237 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.837 2.621 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.164 3.207 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.167 2.969 -2.292 1.00 0.00 H new ATOM 117 N ASP A 8 -5.821 0.799 -4.597 1.00 0.00 N ATOM 118 CA ASP A 8 -6.104 1.308 -5.970 1.00 0.00 C ATOM 119 C ASP A 8 -7.398 2.127 -5.964 1.00 0.00 C ATOM 120 O ASP A 8 -7.862 2.569 -4.930 1.00 0.00 O ATOM 121 CB ASP A 8 -6.226 0.136 -6.954 1.00 0.00 C ATOM 122 CG ASP A 8 -7.478 -0.684 -6.643 1.00 0.00 C ATOM 123 OD1 ASP A 8 -7.914 -0.651 -5.509 1.00 0.00 O ATOM 124 OD2 ASP A 8 -7.977 -1.333 -7.547 1.00 0.00 O ATOM 0 H ASP A 8 -5.912 -0.209 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.280 1.947 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.273 0.513 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.341 -0.498 -6.888 1.00 0.00 H new ATOM 129 N SER A 9 -7.975 2.345 -7.113 1.00 0.00 N ATOM 130 CA SER A 9 -9.229 3.150 -7.187 1.00 0.00 C ATOM 131 C SER A 9 -10.401 2.358 -6.606 1.00 0.00 C ATOM 132 O SER A 9 -11.511 2.848 -6.528 1.00 0.00 O ATOM 133 CB SER A 9 -9.528 3.483 -8.647 1.00 0.00 C ATOM 134 OG SER A 9 -9.421 2.300 -9.429 1.00 0.00 O ATOM 0 H SER A 9 -7.631 1.999 -8.009 1.00 0.00 H new ATOM 0 HA SER A 9 -9.096 4.066 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.529 3.904 -8.738 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.830 4.238 -9.010 1.00 0.00 H new ATOM 0 HG SER A 9 -9.614 2.509 -10.367 1.00 0.00 H new ATOM 140 N GLY A 10 -10.177 1.141 -6.204 1.00 0.00 N ATOM 141 CA GLY A 10 -11.293 0.334 -5.638 1.00 0.00 C ATOM 142 C GLY A 10 -11.118 0.203 -4.126 1.00 0.00 C ATOM 143 O GLY A 10 -11.905 -0.436 -3.455 1.00 0.00 O ATOM 0 H GLY A 10 -9.273 0.670 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.248 0.808 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.311 -0.654 -6.099 1.00 0.00 H new ATOM 147 N ASN A 11 -10.089 0.792 -3.582 1.00 0.00 N ATOM 148 CA ASN A 11 -9.867 0.687 -2.117 1.00 0.00 C ATOM 149 C ASN A 11 -9.352 -0.712 -1.811 1.00 0.00 C ATOM 150 O ASN A 11 -9.639 -1.296 -0.784 1.00 0.00 O ATOM 151 CB ASN A 11 -11.180 0.936 -1.374 1.00 0.00 C ATOM 152 CG ASN A 11 -10.934 1.892 -0.208 1.00 0.00 C ATOM 153 OD1 ASN A 11 -11.138 1.474 1.008 1.00 0.00 O flip ATOM 154 ND2 ASN A 11 -10.559 3.030 -0.406 1.00 0.00 N flip ATOM 0 H ASN A 11 -9.395 1.340 -4.090 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.140 1.431 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.920 1.358 -2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.586 -0.006 -1.006 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.400 3.356 -1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.403 3.660 0.381 1.00 0.00 H new ATOM 161 N CYS A 12 -8.582 -1.239 -2.712 1.00 0.00 N ATOM 162 CA CYS A 12 -8.010 -2.596 -2.525 1.00 0.00 C ATOM 163 C CYS A 12 -6.527 -2.449 -2.201 1.00 0.00 C ATOM 164 O CYS A 12 -5.732 -2.052 -3.031 1.00 0.00 O ATOM 165 CB CYS A 12 -8.184 -3.411 -3.808 1.00 0.00 C ATOM 166 SG CYS A 12 -9.603 -4.522 -3.628 1.00 0.00 S ATOM 0 H CYS A 12 -8.320 -0.781 -3.585 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.521 -3.112 -1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.335 -2.745 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.281 -3.987 -4.011 1.00 0.00 H new ATOM 171 N LYS A 13 -6.155 -2.739 -0.991 1.00 0.00 N ATOM 172 CA LYS A 13 -4.733 -2.594 -0.592 1.00 0.00 C ATOM 173 C LYS A 13 -3.845 -3.538 -1.403 1.00 0.00 C ATOM 174 O LYS A 13 -4.011 -4.741 -1.374 1.00 0.00 O ATOM 175 CB LYS A 13 -4.600 -2.928 0.889 1.00 0.00 C ATOM 176 CG LYS A 13 -3.489 -2.082 1.494 1.00 0.00 C ATOM 177 CD LYS A 13 -2.127 -2.589 1.012 1.00 0.00 C ATOM 178 CE LYS A 13 -1.400 -1.475 0.256 1.00 0.00 C ATOM 179 NZ LYS A 13 0.066 -1.573 0.508 1.00 0.00 N ATOM 0 H LYS A 13 -6.779 -3.072 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.415 -1.569 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.541 -2.736 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.378 -3.987 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.619 -1.038 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.539 -2.125 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.528 -2.916 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.259 -3.455 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.602 -1.555 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.770 -0.502 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.585 -1.199 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.310 -1.020 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.327 -2.569 0.658 1.00 0.00 H new ATOM 193 N TYR A 14 -2.892 -3.001 -2.119 1.00 0.00 N ATOM 194 CA TYR A 14 -1.984 -3.875 -2.916 1.00 0.00 C ATOM 195 C TYR A 14 -1.277 -4.850 -1.977 1.00 0.00 C ATOM 196 O TYR A 14 -0.536 -4.452 -1.103 1.00 0.00 O ATOM 197 CB TYR A 14 -0.932 -3.023 -3.630 1.00 0.00 C ATOM 198 CG TYR A 14 -1.615 -1.956 -4.449 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.203 -2.297 -5.668 1.00 0.00 C ATOM 200 CD2 TYR A 14 -1.658 -0.632 -3.994 1.00 0.00 C ATOM 201 CE1 TYR A 14 -2.833 -1.318 -6.439 1.00 0.00 C ATOM 202 CE2 TYR A 14 -2.291 0.349 -4.766 1.00 0.00 C ATOM 203 CZ TYR A 14 -2.878 0.006 -5.988 1.00 0.00 C ATOM 204 OH TYR A 14 -3.499 0.972 -6.751 1.00 0.00 O ATOM 0 H TYR A 14 -2.704 -2.001 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.570 -4.421 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.265 -2.564 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.316 -3.651 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.171 -3.319 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.204 -0.369 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.285 -1.583 -7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.326 1.371 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.637 0.632 -7.660 1.00 0.00 H new ATOM 214 N GLU A 15 -1.495 -6.123 -2.150 1.00 0.00 N ATOM 215 CA GLU A 15 -0.827 -7.120 -1.263 1.00 0.00 C ATOM 216 C GLU A 15 0.588 -7.385 -1.776 1.00 0.00 C ATOM 217 O GLU A 15 1.057 -6.734 -2.687 1.00 0.00 O ATOM 218 CB GLU A 15 -1.620 -8.424 -1.272 1.00 0.00 C ATOM 219 CG GLU A 15 -1.714 -8.972 0.154 1.00 0.00 C ATOM 220 CD GLU A 15 -1.800 -10.499 0.116 1.00 0.00 C ATOM 221 OE1 GLU A 15 -1.253 -11.081 -0.806 1.00 0.00 O ATOM 222 OE2 GLU A 15 -2.408 -11.062 1.012 1.00 0.00 O ATOM 0 H GLU A 15 -2.105 -6.518 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.782 -6.729 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.619 -8.252 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.136 -9.153 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.843 -8.662 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.591 -8.561 0.655 1.00 0.00 H new ATOM 229 N CYS A 16 1.280 -8.333 -1.198 1.00 0.00 N ATOM 230 CA CYS A 16 2.667 -8.618 -1.673 1.00 0.00 C ATOM 231 C CYS A 16 3.101 -10.032 -1.291 1.00 0.00 C ATOM 232 O CYS A 16 2.443 -10.724 -0.539 1.00 0.00 O ATOM 233 CB CYS A 16 3.642 -7.622 -1.047 1.00 0.00 C ATOM 234 SG CYS A 16 3.091 -7.180 0.621 1.00 0.00 S ATOM 0 H CYS A 16 0.950 -8.915 -0.428 1.00 0.00 H new ATOM 0 HA CYS A 16 2.674 -8.526 -2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.641 -8.056 -1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.708 -6.727 -1.666 1.00 0.00 H new ATOM 239 N LEU A 17 4.226 -10.450 -1.807 1.00 0.00 N ATOM 240 CA LEU A 17 4.758 -11.805 -1.495 1.00 0.00 C ATOM 241 C LEU A 17 6.138 -11.645 -0.849 1.00 0.00 C ATOM 242 O LEU A 17 6.408 -12.179 0.208 1.00 0.00 O ATOM 243 CB LEU A 17 4.892 -12.608 -2.791 1.00 0.00 C ATOM 244 CG LEU A 17 3.567 -12.575 -3.551 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.842 -12.619 -5.055 1.00 0.00 C ATOM 246 CD2 LEU A 17 2.720 -13.787 -3.153 1.00 0.00 C ATOM 0 H LEU A 17 4.806 -9.900 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 17 4.084 -12.328 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.688 -12.192 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.169 -13.638 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 17 3.030 -11.659 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.897 -12.596 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.446 -11.757 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.379 -13.535 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.775 -13.764 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.257 -14.703 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.525 -13.758 -2.081 1.00 0.00 H new ATOM 258 N LYS A 18 7.008 -10.900 -1.479 1.00 0.00 N ATOM 259 CA LYS A 18 8.369 -10.684 -0.909 1.00 0.00 C ATOM 260 C LYS A 18 8.513 -9.214 -0.504 1.00 0.00 C ATOM 261 O LYS A 18 7.595 -8.430 -0.648 1.00 0.00 O ATOM 262 CB LYS A 18 9.428 -11.034 -1.959 1.00 0.00 C ATOM 263 CG LYS A 18 10.147 -12.322 -1.549 1.00 0.00 C ATOM 264 CD LYS A 18 11.043 -12.795 -2.695 1.00 0.00 C ATOM 265 CE LYS A 18 10.206 -13.592 -3.697 1.00 0.00 C ATOM 266 NZ LYS A 18 10.453 -15.047 -3.500 1.00 0.00 N ATOM 0 H LYS A 18 6.833 -10.430 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 18 8.507 -11.322 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.960 -11.161 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.145 -10.219 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.745 -12.148 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.419 -13.094 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.504 -11.939 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.853 -13.413 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.148 -13.370 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.465 -13.302 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.885 -15.591 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.462 -15.251 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.185 -15.317 -2.532 1.00 0.00 H new ATOM 280 N ASP A 19 9.655 -8.832 0.003 1.00 0.00 N ATOM 281 CA ASP A 19 9.851 -7.412 0.417 1.00 0.00 C ATOM 282 C ASP A 19 10.075 -6.543 -0.821 1.00 0.00 C ATOM 283 O ASP A 19 9.687 -5.392 -0.863 1.00 0.00 O ATOM 284 CB ASP A 19 11.076 -7.311 1.330 1.00 0.00 C ATOM 285 CG ASP A 19 10.851 -6.219 2.373 1.00 0.00 C ATOM 286 OD1 ASP A 19 9.944 -6.373 3.172 1.00 0.00 O ATOM 287 OD2 ASP A 19 11.592 -5.249 2.359 1.00 0.00 O ATOM 0 H ASP A 19 10.460 -9.441 0.148 1.00 0.00 H new ATOM 0 HA ASP A 19 8.965 -7.067 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.254 -8.267 1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.964 -7.086 0.740 1.00 0.00 H new ATOM 292 N ASP A 20 10.708 -7.083 -1.826 1.00 0.00 N ATOM 293 CA ASP A 20 10.971 -6.296 -3.055 1.00 0.00 C ATOM 294 C ASP A 20 9.647 -5.904 -3.720 1.00 0.00 C ATOM 295 O ASP A 20 9.475 -4.790 -4.146 1.00 0.00 O ATOM 296 CB ASP A 20 11.836 -7.147 -4.002 1.00 0.00 C ATOM 297 CG ASP A 20 10.981 -7.794 -5.101 1.00 0.00 C ATOM 298 OD1 ASP A 20 10.481 -8.883 -4.871 1.00 0.00 O ATOM 299 OD2 ASP A 20 10.841 -7.187 -6.150 1.00 0.00 O ATOM 0 H ASP A 20 11.055 -8.042 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 20 11.503 -5.377 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.606 -6.523 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.349 -7.922 -3.433 1.00 0.00 H new ATOM 304 N TYR A 21 8.713 -6.806 -3.825 1.00 0.00 N ATOM 305 CA TYR A 21 7.422 -6.443 -4.479 1.00 0.00 C ATOM 306 C TYR A 21 6.890 -5.139 -3.874 1.00 0.00 C ATOM 307 O TYR A 21 6.271 -4.341 -4.551 1.00 0.00 O ATOM 308 CB TYR A 21 6.395 -7.560 -4.265 1.00 0.00 C ATOM 309 CG TYR A 21 5.024 -7.074 -4.689 1.00 0.00 C ATOM 310 CD1 TYR A 21 4.304 -6.202 -3.862 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.473 -7.494 -5.908 1.00 0.00 C ATOM 312 CE1 TYR A 21 3.039 -5.750 -4.253 1.00 0.00 C ATOM 313 CE2 TYR A 21 3.207 -7.041 -6.298 1.00 0.00 C ATOM 314 CZ TYR A 21 2.490 -6.170 -5.470 1.00 0.00 C ATOM 315 OH TYR A 21 1.243 -5.724 -5.856 1.00 0.00 O ATOM 0 H TYR A 21 8.783 -7.767 -3.492 1.00 0.00 H new ATOM 0 HA TYR A 21 7.589 -6.310 -5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.675 -8.441 -4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.379 -7.858 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.726 -5.878 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.026 -8.167 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.486 -5.077 -3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.784 -7.364 -7.238 1.00 0.00 H new ATOM 0 HH TYR A 21 1.012 -6.111 -6.726 1.00 0.00 H new ATOM 325 N CYS A 22 7.112 -4.919 -2.605 1.00 0.00 N ATOM 326 CA CYS A 22 6.599 -3.671 -1.964 1.00 0.00 C ATOM 327 C CYS A 22 7.514 -2.494 -2.276 1.00 0.00 C ATOM 328 O CYS A 22 7.061 -1.427 -2.596 1.00 0.00 O ATOM 329 CB CYS A 22 6.547 -3.847 -0.448 1.00 0.00 C ATOM 330 SG CYS A 22 5.124 -4.863 0.026 1.00 0.00 S ATOM 0 H CYS A 22 7.625 -5.547 -1.986 1.00 0.00 H new ATOM 0 HA CYS A 22 5.601 -3.476 -2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.467 -4.315 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.482 -2.872 0.035 1.00 0.00 H new ATOM 335 N ASN A 23 8.794 -2.677 -2.170 1.00 0.00 N ATOM 336 CA ASN A 23 9.741 -1.562 -2.447 1.00 0.00 C ATOM 337 C ASN A 23 9.520 -1.049 -3.863 1.00 0.00 C ATOM 338 O ASN A 23 9.416 0.134 -4.099 1.00 0.00 O ATOM 339 CB ASN A 23 11.155 -2.112 -2.317 1.00 0.00 C ATOM 340 CG ASN A 23 12.143 -0.970 -2.078 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.780 0.063 -1.552 1.00 0.00 O ATOM 342 ND2 ASN A 23 13.386 -1.113 -2.446 1.00 0.00 N ATOM 0 H ASN A 23 9.232 -3.558 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 23 9.585 -0.741 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.203 -2.823 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.427 -2.655 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.054 -0.357 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.691 -1.981 -2.888 1.00 0.00 H new ATOM 349 N ASP A 24 9.446 -1.942 -4.799 1.00 0.00 N ATOM 350 CA ASP A 24 9.220 -1.542 -6.216 1.00 0.00 C ATOM 351 C ASP A 24 7.833 -0.908 -6.339 1.00 0.00 C ATOM 352 O ASP A 24 7.697 0.269 -6.604 1.00 0.00 O ATOM 353 CB ASP A 24 9.286 -2.786 -7.099 1.00 0.00 C ATOM 354 CG ASP A 24 9.535 -2.372 -8.550 1.00 0.00 C ATOM 355 OD1 ASP A 24 9.338 -1.207 -8.855 1.00 0.00 O ATOM 356 OD2 ASP A 24 9.921 -3.225 -9.331 1.00 0.00 O ATOM 0 H ASP A 24 9.533 -2.947 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 24 9.981 -0.827 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.083 -3.446 -6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.354 -3.347 -7.025 1.00 0.00 H new ATOM 361 N LEU A 25 6.801 -1.683 -6.141 1.00 0.00 N ATOM 362 CA LEU A 25 5.420 -1.131 -6.232 1.00 0.00 C ATOM 363 C LEU A 25 5.363 0.177 -5.438 1.00 0.00 C ATOM 364 O LEU A 25 4.563 1.054 -5.707 1.00 0.00 O ATOM 365 CB LEU A 25 4.432 -2.145 -5.634 1.00 0.00 C ATOM 366 CG LEU A 25 3.039 -1.517 -5.500 1.00 0.00 C ATOM 367 CD1 LEU A 25 2.214 -1.833 -6.747 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.330 -2.100 -4.272 1.00 0.00 C ATOM 0 H LEU A 25 6.856 -2.677 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 25 5.155 -0.942 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.380 -3.030 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.785 -2.474 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 25 3.141 -0.437 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.224 -1.387 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.713 -1.425 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.116 -2.913 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.340 -1.653 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.232 -3.179 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.913 -1.882 -3.377 1.00 0.00 H new ATOM 380 N CYS A 26 6.215 0.306 -4.460 1.00 0.00 N ATOM 381 CA CYS A 26 6.240 1.523 -3.630 1.00 0.00 C ATOM 382 C CYS A 26 6.863 2.671 -4.430 1.00 0.00 C ATOM 383 O CYS A 26 6.352 3.773 -4.451 1.00 0.00 O ATOM 384 CB CYS A 26 7.070 1.219 -2.381 1.00 0.00 C ATOM 385 SG CYS A 26 6.007 0.543 -1.069 1.00 0.00 S ATOM 0 H CYS A 26 6.905 -0.400 -4.203 1.00 0.00 H new ATOM 0 HA CYS A 26 5.233 1.820 -3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.858 0.506 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.559 2.128 -2.031 1.00 0.00 H new ATOM 390 N LEU A 27 7.953 2.417 -5.104 1.00 0.00 N ATOM 391 CA LEU A 27 8.593 3.480 -5.916 1.00 0.00 C ATOM 392 C LEU A 27 7.553 4.039 -6.885 1.00 0.00 C ATOM 393 O LEU A 27 7.487 5.227 -7.128 1.00 0.00 O ATOM 394 CB LEU A 27 9.760 2.885 -6.717 1.00 0.00 C ATOM 395 CG LEU A 27 10.930 2.552 -5.785 1.00 0.00 C ATOM 396 CD1 LEU A 27 12.194 2.332 -6.620 1.00 0.00 C ATOM 397 CD2 LEU A 27 11.163 3.708 -4.810 1.00 0.00 C ATOM 0 H LEU A 27 8.426 1.513 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 27 8.970 4.269 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.432 1.984 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.084 3.592 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 27 10.696 1.648 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.029 2.095 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.033 1.506 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.421 3.238 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.996 3.465 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.395 4.614 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.264 3.869 -4.215 1.00 0.00 H new ATOM 409 N GLU A 28 6.740 3.182 -7.440 1.00 0.00 N ATOM 410 CA GLU A 28 5.701 3.646 -8.392 1.00 0.00 C ATOM 411 C GLU A 28 4.696 4.518 -7.650 1.00 0.00 C ATOM 412 O GLU A 28 4.202 5.502 -8.165 1.00 0.00 O ATOM 413 CB GLU A 28 4.990 2.437 -9.002 1.00 0.00 C ATOM 414 CG GLU A 28 6.003 1.584 -9.768 1.00 0.00 C ATOM 415 CD GLU A 28 6.444 2.329 -11.028 1.00 0.00 C ATOM 416 OE1 GLU A 28 5.577 2.773 -11.763 1.00 0.00 O ATOM 417 OE2 GLU A 28 7.639 2.445 -11.237 1.00 0.00 O ATOM 0 H GLU A 28 6.754 2.176 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 28 6.165 4.226 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.519 1.845 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.196 2.768 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.866 1.371 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.559 0.625 -10.036 1.00 0.00 H new ATOM 424 N ARG A 29 4.398 4.162 -6.439 1.00 0.00 N ATOM 425 CA ARG A 29 3.432 4.955 -5.639 1.00 0.00 C ATOM 426 C ARG A 29 4.055 6.297 -5.242 1.00 0.00 C ATOM 427 O ARG A 29 3.415 7.124 -4.628 1.00 0.00 O ATOM 428 CB ARG A 29 3.052 4.181 -4.378 1.00 0.00 C ATOM 429 CG ARG A 29 1.633 3.637 -4.530 1.00 0.00 C ATOM 430 CD ARG A 29 1.697 2.166 -4.932 1.00 0.00 C ATOM 431 NE ARG A 29 0.944 1.963 -6.209 1.00 0.00 N ATOM 432 CZ ARG A 29 -0.265 2.439 -6.366 1.00 0.00 C ATOM 433 NH1 ARG A 29 -0.927 2.931 -5.351 1.00 0.00 N ATOM 434 NH2 ARG A 29 -0.838 2.369 -7.538 1.00 0.00 N ATOM 0 H ARG A 29 4.786 3.347 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 29 2.541 5.137 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.753 3.362 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.113 4.831 -3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.087 3.746 -3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.091 4.209 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.735 1.857 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.272 1.544 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 29 1.381 1.444 -6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.502 2.947 -4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.869 3.299 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.343 1.945 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.780 2.738 -7.668 1.00 0.00 H new ATOM 448 N LYS A 30 5.300 6.509 -5.586 1.00 0.00 N ATOM 449 CA LYS A 30 5.990 7.790 -5.239 1.00 0.00 C ATOM 450 C LYS A 30 6.487 7.741 -3.797 1.00 0.00 C ATOM 451 O LYS A 30 6.657 8.758 -3.157 1.00 0.00 O ATOM 452 CB LYS A 30 5.039 8.979 -5.401 1.00 0.00 C ATOM 453 CG LYS A 30 5.832 10.276 -5.227 1.00 0.00 C ATOM 454 CD LYS A 30 5.495 10.908 -3.870 1.00 0.00 C ATOM 455 CE LYS A 30 4.746 12.221 -4.095 1.00 0.00 C ATOM 456 NZ LYS A 30 5.644 13.194 -4.781 1.00 0.00 N ATOM 0 H LYS A 30 5.875 5.841 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 30 6.835 7.915 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.568 8.954 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.239 8.925 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.901 10.072 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.593 10.971 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.885 10.225 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.409 11.090 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.855 12.045 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.411 12.629 -3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.387 14.162 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.631 13.006 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.542 13.094 -5.811 1.00 0.00 H new ATOM 470 N ALA A 31 6.734 6.578 -3.272 1.00 0.00 N ATOM 471 CA ALA A 31 7.226 6.510 -1.873 1.00 0.00 C ATOM 472 C ALA A 31 8.721 6.214 -1.870 1.00 0.00 C ATOM 473 O ALA A 31 9.227 5.480 -2.695 1.00 0.00 O ATOM 474 CB ALA A 31 6.496 5.409 -1.114 1.00 0.00 C ATOM 0 H ALA A 31 6.618 5.681 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 31 7.039 7.467 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.865 5.368 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.427 5.620 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.674 4.451 -1.602 1.00 0.00 H new ATOM 480 N ASP A 32 9.425 6.776 -0.936 1.00 0.00 N ATOM 481 CA ASP A 32 10.878 6.540 -0.847 1.00 0.00 C ATOM 482 C ASP A 32 11.125 5.043 -0.849 1.00 0.00 C ATOM 483 O ASP A 32 11.966 4.535 -1.565 1.00 0.00 O ATOM 484 CB ASP A 32 11.382 7.127 0.462 1.00 0.00 C ATOM 485 CG ASP A 32 12.881 7.412 0.354 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.470 7.004 -0.634 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.412 8.035 1.258 1.00 0.00 O ATOM 0 H ASP A 32 9.046 7.398 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 32 11.394 7.003 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.843 8.046 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.192 6.433 1.281 1.00 0.00 H new ATOM 492 N LYS A 33 10.390 4.331 -0.047 1.00 0.00 N ATOM 493 CA LYS A 33 10.581 2.847 0.000 1.00 0.00 C ATOM 494 C LYS A 33 9.370 2.170 0.644 1.00 0.00 C ATOM 495 O LYS A 33 8.381 2.803 0.939 1.00 0.00 O ATOM 496 CB LYS A 33 11.845 2.514 0.803 1.00 0.00 C ATOM 497 CG LYS A 33 11.562 2.605 2.310 1.00 0.00 C ATOM 498 CD LYS A 33 12.471 3.659 2.938 1.00 0.00 C ATOM 499 CE LYS A 33 12.931 3.182 4.317 1.00 0.00 C ATOM 500 NZ LYS A 33 13.894 2.055 4.160 1.00 0.00 N ATOM 0 H LYS A 33 9.671 4.701 0.574 1.00 0.00 H new ATOM 0 HA LYS A 33 10.687 2.477 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.190 1.511 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.646 3.203 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.517 2.864 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.731 1.637 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.334 3.838 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.939 4.606 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.401 4.003 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.073 2.861 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.534 2.028 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.372 1.158 4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.450 2.192 3.291 1.00 0.00 H new ATOM 514 N GLY A 34 9.446 0.885 0.869 1.00 0.00 N ATOM 515 CA GLY A 34 8.298 0.177 1.499 1.00 0.00 C ATOM 516 C GLY A 34 8.564 -1.326 1.547 1.00 0.00 C ATOM 517 O GLY A 34 9.202 -1.884 0.676 1.00 0.00 O ATOM 0 H GLY A 34 10.250 0.299 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.137 0.557 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.386 0.374 0.935 1.00 0.00 H new ATOM 521 N TYR A 35 8.064 -1.987 2.555 1.00 0.00 N ATOM 522 CA TYR A 35 8.270 -3.458 2.659 1.00 0.00 C ATOM 523 C TYR A 35 6.915 -4.154 2.635 1.00 0.00 C ATOM 524 O TYR A 35 5.890 -3.537 2.425 1.00 0.00 O ATOM 525 CB TYR A 35 8.987 -3.803 3.965 1.00 0.00 C ATOM 526 CG TYR A 35 8.338 -3.084 5.123 1.00 0.00 C ATOM 527 CD1 TYR A 35 7.081 -3.497 5.577 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.995 -2.019 5.752 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.479 -2.849 6.660 1.00 0.00 C ATOM 530 CE2 TYR A 35 8.390 -1.367 6.835 1.00 0.00 C ATOM 531 CZ TYR A 35 7.131 -1.785 7.289 1.00 0.00 C ATOM 532 OH TYR A 35 6.534 -1.152 8.360 1.00 0.00 O ATOM 0 H TYR A 35 7.521 -1.571 3.312 1.00 0.00 H new ATOM 0 HA TYR A 35 8.880 -3.792 1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.955 -4.880 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.038 -3.522 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.575 -4.318 5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.966 -1.701 5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.510 -3.171 7.011 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.893 -0.543 7.319 1.00 0.00 H new ATOM 0 HH TYR A 35 6.923 -0.259 8.471 1.00 0.00 H new ATOM 542 N CYS A 36 6.903 -5.435 2.838 1.00 0.00 N ATOM 543 CA CYS A 36 5.619 -6.179 2.814 1.00 0.00 C ATOM 544 C CYS A 36 5.201 -6.568 4.227 1.00 0.00 C ATOM 545 O CYS A 36 5.744 -7.478 4.821 1.00 0.00 O ATOM 546 CB CYS A 36 5.801 -7.432 1.970 1.00 0.00 C ATOM 547 SG CYS A 36 4.228 -8.323 1.839 1.00 0.00 S ATOM 0 H CYS A 36 7.730 -6.003 3.021 1.00 0.00 H new ATOM 0 HA CYS A 36 4.840 -5.546 2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.160 -7.163 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.557 -8.076 2.418 1.00 0.00 H new ATOM 552 N TYR A 37 4.218 -5.899 4.757 1.00 0.00 N ATOM 553 CA TYR A 37 3.733 -6.241 6.118 1.00 0.00 C ATOM 554 C TYR A 37 2.863 -7.494 5.999 1.00 0.00 C ATOM 555 O TYR A 37 1.686 -7.419 5.705 1.00 0.00 O ATOM 556 CB TYR A 37 2.912 -5.068 6.667 1.00 0.00 C ATOM 557 CG TYR A 37 2.622 -5.276 8.136 1.00 0.00 C ATOM 558 CD1 TYR A 37 3.607 -5.800 8.982 1.00 0.00 C ATOM 559 CD2 TYR A 37 1.368 -4.933 8.651 1.00 0.00 C ATOM 560 CE1 TYR A 37 3.335 -5.982 10.344 1.00 0.00 C ATOM 561 CE2 TYR A 37 1.095 -5.114 10.012 1.00 0.00 C ATOM 562 CZ TYR A 37 2.078 -5.639 10.859 1.00 0.00 C ATOM 563 OH TYR A 37 1.808 -5.817 12.203 1.00 0.00 O ATOM 0 H TYR A 37 3.729 -5.127 4.304 1.00 0.00 H new ATOM 0 HA TYR A 37 4.564 -6.429 6.798 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.457 -4.135 6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.977 -4.978 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.576 -6.064 8.585 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.609 -4.528 7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.094 -6.387 10.997 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.126 -4.849 10.408 1.00 0.00 H new ATOM 0 HH TYR A 37 0.891 -5.528 12.394 1.00 0.00 H new ATOM 573 N TRP A 38 3.446 -8.648 6.192 1.00 0.00 N ATOM 574 CA TRP A 38 2.669 -9.914 6.064 1.00 0.00 C ATOM 575 C TRP A 38 1.704 -10.046 7.255 1.00 0.00 C ATOM 576 O TRP A 38 1.042 -9.093 7.618 1.00 0.00 O ATOM 577 CB TRP A 38 3.657 -11.090 5.984 1.00 0.00 C ATOM 578 CG TRP A 38 3.627 -11.650 4.598 1.00 0.00 C ATOM 579 CD1 TRP A 38 4.388 -11.211 3.570 1.00 0.00 C ATOM 580 CD2 TRP A 38 2.807 -12.734 4.067 1.00 0.00 C ATOM 581 NE1 TRP A 38 4.090 -11.954 2.443 1.00 0.00 N ATOM 582 CE2 TRP A 38 3.122 -12.905 2.697 1.00 0.00 C ATOM 583 CE3 TRP A 38 1.833 -13.575 4.632 1.00 0.00 C ATOM 584 CZ2 TRP A 38 2.491 -13.876 1.917 1.00 0.00 C ATOM 585 CZ3 TRP A 38 1.196 -14.553 3.850 1.00 0.00 C ATOM 586 CH2 TRP A 38 1.526 -14.704 2.495 1.00 0.00 C ATOM 0 H TRP A 38 4.430 -8.767 6.433 1.00 0.00 H new ATOM 0 HA TRP A 38 2.066 -9.913 5.156 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.664 -10.755 6.234 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.388 -11.859 6.708 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.111 -10.410 3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.532 -11.816 1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.572 -13.469 5.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 2.747 -13.986 0.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.448 -15.192 4.295 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.035 -15.459 1.900 1.00 0.00 H new ATOM 597 N GLY A 39 1.582 -11.203 7.854 1.00 0.00 N ATOM 598 CA GLY A 39 0.632 -11.340 8.991 1.00 0.00 C ATOM 599 C GLY A 39 -0.790 -11.264 8.443 1.00 0.00 C ATOM 600 O GLY A 39 -1.731 -10.978 9.157 1.00 0.00 O ATOM 0 H GLY A 39 2.095 -12.049 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.790 -12.288 9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.799 -10.549 9.722 1.00 0.00 H new ATOM 604 N LYS A 40 -0.945 -11.513 7.170 1.00 0.00 N ATOM 605 CA LYS A 40 -2.296 -11.456 6.550 1.00 0.00 C ATOM 606 C LYS A 40 -2.676 -9.995 6.304 1.00 0.00 C ATOM 607 O LYS A 40 -3.840 -9.642 6.288 1.00 0.00 O ATOM 608 CB LYS A 40 -3.317 -12.102 7.490 1.00 0.00 C ATOM 609 CG LYS A 40 -4.560 -12.509 6.697 1.00 0.00 C ATOM 610 CD LYS A 40 -5.322 -13.589 7.467 1.00 0.00 C ATOM 611 CE LYS A 40 -6.763 -13.133 7.698 1.00 0.00 C ATOM 612 NZ LYS A 40 -6.768 -11.918 8.561 1.00 0.00 N ATOM 0 H LYS A 40 -0.188 -11.755 6.531 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.288 -11.995 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.879 -12.976 7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.591 -11.404 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.201 -11.642 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.272 -12.882 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.311 -14.525 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.833 -13.782 8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.244 -12.917 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.337 -13.930 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.635 -11.904 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.938 -11.934 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.735 -11.068 7.963 1.00 0.00 H new ATOM 626 N VAL A 41 -1.704 -9.139 6.116 1.00 0.00 N ATOM 627 CA VAL A 41 -2.024 -7.703 5.878 1.00 0.00 C ATOM 628 C VAL A 41 -1.784 -7.339 4.403 1.00 0.00 C ATOM 629 O VAL A 41 -2.528 -7.752 3.536 1.00 0.00 O ATOM 630 CB VAL A 41 -1.161 -6.826 6.786 1.00 0.00 C ATOM 631 CG1 VAL A 41 -1.554 -5.361 6.594 1.00 0.00 C ATOM 632 CG2 VAL A 41 -1.386 -7.226 8.246 1.00 0.00 C ATOM 0 H VAL A 41 -0.711 -9.372 6.117 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.075 -7.531 6.109 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.110 -6.960 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.941 -4.732 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.397 -5.075 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.605 -5.230 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.771 -6.601 8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.437 -7.091 8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.111 -8.272 8.383 1.00 0.00 H new ATOM 642 N SER A 42 -0.769 -6.558 4.103 1.00 0.00 N ATOM 643 CA SER A 42 -0.525 -6.167 2.677 1.00 0.00 C ATOM 644 C SER A 42 0.825 -5.451 2.553 1.00 0.00 C ATOM 645 O SER A 42 1.655 -5.495 3.440 1.00 0.00 O ATOM 646 CB SER A 42 -1.637 -5.213 2.226 1.00 0.00 C ATOM 647 OG SER A 42 -2.880 -5.900 2.214 1.00 0.00 O ATOM 0 H SER A 42 -0.106 -6.178 4.778 1.00 0.00 H new ATOM 0 HA SER A 42 -0.517 -7.062 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.690 -4.357 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.415 -4.824 1.232 1.00 0.00 H new ATOM 0 HG SER A 42 -2.721 -6.865 2.283 1.00 0.00 H new ATOM 653 N CYS A 43 1.039 -4.788 1.446 1.00 0.00 N ATOM 654 CA CYS A 43 2.320 -4.051 1.224 1.00 0.00 C ATOM 655 C CYS A 43 2.383 -2.837 2.156 1.00 0.00 C ATOM 656 O CYS A 43 1.417 -2.482 2.796 1.00 0.00 O ATOM 657 CB CYS A 43 2.351 -3.526 -0.220 1.00 0.00 C ATOM 658 SG CYS A 43 3.625 -4.340 -1.228 1.00 0.00 S ATOM 0 H CYS A 43 0.372 -4.725 0.677 1.00 0.00 H new ATOM 0 HA CYS A 43 3.156 -4.724 1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.375 -3.680 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.533 -2.451 -0.209 1.00 0.00 H new ATOM 663 N TYR A 44 3.507 -2.175 2.202 1.00 0.00 N ATOM 664 CA TYR A 44 3.623 -0.955 3.056 1.00 0.00 C ATOM 665 C TYR A 44 4.632 0.005 2.428 1.00 0.00 C ATOM 666 O TYR A 44 5.790 -0.326 2.249 1.00 0.00 O ATOM 667 CB TYR A 44 4.085 -1.315 4.468 1.00 0.00 C ATOM 668 CG TYR A 44 3.710 -0.183 5.397 1.00 0.00 C ATOM 669 CD1 TYR A 44 2.365 0.042 5.704 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.699 0.649 5.941 1.00 0.00 C ATOM 671 CE1 TYR A 44 2.004 1.090 6.554 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.339 1.699 6.791 1.00 0.00 C ATOM 673 CZ TYR A 44 2.991 1.920 7.100 1.00 0.00 C ATOM 674 OH TYR A 44 2.635 2.957 7.938 1.00 0.00 O ATOM 0 H TYR A 44 4.351 -2.425 1.686 1.00 0.00 H new ATOM 0 HA TYR A 44 2.642 -0.485 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.618 -2.244 4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.163 -1.478 4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.603 -0.596 5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.739 0.479 5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.964 1.260 6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.101 2.340 7.210 1.00 0.00 H new ATOM 0 HH TYR A 44 3.440 3.433 8.229 1.00 0.00 H new ATOM 684 N CYS A 45 4.205 1.192 2.087 1.00 0.00 N ATOM 685 CA CYS A 45 5.143 2.166 1.465 1.00 0.00 C ATOM 686 C CYS A 45 5.510 3.263 2.460 1.00 0.00 C ATOM 687 O CYS A 45 5.004 3.332 3.564 1.00 0.00 O ATOM 688 CB CYS A 45 4.491 2.827 0.248 1.00 0.00 C ATOM 689 SG CYS A 45 4.300 1.627 -1.094 1.00 0.00 S ATOM 0 H CYS A 45 3.250 1.527 2.213 1.00 0.00 H new ATOM 0 HA CYS A 45 6.038 1.621 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.517 3.232 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.101 3.665 -0.089 1.00 0.00 H new ATOM 694 N TYR A 46 6.381 4.130 2.039 1.00 0.00 N ATOM 695 CA TYR A 46 6.823 5.269 2.881 1.00 0.00 C ATOM 696 C TYR A 46 7.096 6.433 1.936 1.00 0.00 C ATOM 697 O TYR A 46 8.124 6.469 1.284 1.00 0.00 O ATOM 698 CB TYR A 46 8.119 4.909 3.597 1.00 0.00 C ATOM 699 CG TYR A 46 7.880 3.828 4.624 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.973 2.483 4.255 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.588 4.171 5.946 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.771 1.480 5.209 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.384 3.171 6.900 1.00 0.00 C ATOM 704 CZ TYR A 46 7.477 1.827 6.533 1.00 0.00 C ATOM 705 OH TYR A 46 7.279 0.844 7.476 1.00 0.00 O ATOM 0 H TYR A 46 6.818 4.095 1.118 1.00 0.00 H new ATOM 0 HA TYR A 46 6.065 5.518 3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.859 4.571 2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.530 5.794 4.083 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.201 2.218 3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.520 5.210 6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.842 0.440 4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.154 3.437 7.921 1.00 0.00 H new ATOM 0 HH TYR A 46 7.186 -0.024 7.030 1.00 0.00 H new ATOM 715 N GLY A 47 6.176 7.354 1.831 1.00 0.00 N ATOM 716 CA GLY A 47 6.356 8.505 0.895 1.00 0.00 C ATOM 717 C GLY A 47 5.157 8.554 -0.048 1.00 0.00 C ATOM 718 O GLY A 47 5.279 8.877 -1.213 1.00 0.00 O ATOM 0 H GLY A 47 5.302 7.360 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.438 9.438 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.280 8.391 0.328 1.00 0.00 H new ATOM 722 N LEU A 48 3.996 8.226 0.450 1.00 0.00 N ATOM 723 CA LEU A 48 2.781 8.240 -0.408 1.00 0.00 C ATOM 724 C LEU A 48 2.220 9.665 -0.481 1.00 0.00 C ATOM 725 O LEU A 48 2.504 10.486 0.368 1.00 0.00 O ATOM 726 CB LEU A 48 1.736 7.294 0.187 1.00 0.00 C ATOM 727 CG LEU A 48 2.241 5.851 0.088 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.463 4.972 1.066 1.00 0.00 C ATOM 729 CD2 LEU A 48 2.028 5.334 -1.336 1.00 0.00 C ATOM 0 H LEU A 48 3.838 7.948 1.419 1.00 0.00 H new ATOM 0 HA LEU A 48 3.036 7.909 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.545 7.554 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.791 7.397 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 48 3.303 5.820 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.821 3.945 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.610 5.340 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.402 5.003 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.387 4.307 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.966 5.365 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.579 5.961 -2.037 1.00 0.00 H new ATOM 741 N PRO A 49 1.435 9.912 -1.501 1.00 0.00 N ATOM 742 CA PRO A 49 0.816 11.233 -1.717 1.00 0.00 C ATOM 743 C PRO A 49 -0.071 11.624 -0.533 1.00 0.00 C ATOM 744 O PRO A 49 -0.651 10.787 0.129 1.00 0.00 O ATOM 745 CB PRO A 49 -0.031 11.070 -2.985 1.00 0.00 C ATOM 746 CG PRO A 49 0.185 9.628 -3.513 1.00 0.00 C ATOM 747 CD PRO A 49 1.100 8.897 -2.517 1.00 0.00 C ATOM 0 HA PRO A 49 1.565 12.018 -1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.085 11.244 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.263 11.801 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.769 9.109 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.637 9.648 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.595 8.041 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.996 8.517 -3.008 1.00 0.00 H new ATOM 755 N ASP A 50 -0.179 12.896 -0.271 1.00 0.00 N ATOM 756 CA ASP A 50 -1.021 13.367 0.854 1.00 0.00 C ATOM 757 C ASP A 50 -2.416 12.756 0.760 1.00 0.00 C ATOM 758 O ASP A 50 -2.827 11.980 1.598 1.00 0.00 O ATOM 759 CB ASP A 50 -1.125 14.886 0.787 1.00 0.00 C ATOM 760 CG ASP A 50 -0.343 15.508 1.945 1.00 0.00 C ATOM 761 OD1 ASP A 50 0.034 14.774 2.844 1.00 0.00 O ATOM 762 OD2 ASP A 50 -0.135 16.710 1.915 1.00 0.00 O ATOM 0 H ASP A 50 0.287 13.635 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.569 13.063 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.732 15.245 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.170 15.191 0.836 1.00 0.00 H new ATOM 767 N ASN A 51 -3.148 13.121 -0.244 1.00 0.00 N ATOM 768 CA ASN A 51 -4.518 12.603 -0.412 1.00 0.00 C ATOM 769 C ASN A 51 -4.491 11.165 -0.943 1.00 0.00 C ATOM 770 O ASN A 51 -5.518 10.590 -1.248 1.00 0.00 O ATOM 771 CB ASN A 51 -5.250 13.505 -1.397 1.00 0.00 C ATOM 772 CG ASN A 51 -4.512 13.507 -2.735 1.00 0.00 C ATOM 773 OD1 ASN A 51 -3.459 12.916 -2.862 1.00 0.00 O ATOM 774 ND2 ASN A 51 -5.025 14.149 -3.746 1.00 0.00 N ATOM 0 H ASN A 51 -2.845 13.771 -0.970 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.029 12.597 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.273 13.155 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.310 14.519 -1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.542 14.155 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.910 14.645 -3.639 1.00 0.00 H new ATOM 781 N SER A 52 -3.331 10.579 -1.056 1.00 0.00 N ATOM 782 CA SER A 52 -3.249 9.180 -1.564 1.00 0.00 C ATOM 783 C SER A 52 -4.279 8.305 -0.831 1.00 0.00 C ATOM 784 O SER A 52 -4.130 8.040 0.345 1.00 0.00 O ATOM 785 CB SER A 52 -1.844 8.634 -1.303 1.00 0.00 C ATOM 786 OG SER A 52 -1.639 7.469 -2.090 1.00 0.00 O ATOM 0 H SER A 52 -2.437 11.008 -0.819 1.00 0.00 H new ATOM 0 HA SER A 52 -3.458 9.166 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.097 9.389 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.724 8.398 -0.246 1.00 0.00 H new ATOM 0 HG SER A 52 -1.150 6.802 -1.565 1.00 0.00 H new ATOM 792 N PRO A 53 -5.297 7.880 -1.544 1.00 0.00 N ATOM 793 CA PRO A 53 -6.361 7.033 -0.966 1.00 0.00 C ATOM 794 C PRO A 53 -5.778 5.697 -0.489 1.00 0.00 C ATOM 795 O PRO A 53 -5.043 5.041 -1.201 1.00 0.00 O ATOM 796 CB PRO A 53 -7.354 6.810 -2.117 1.00 0.00 C ATOM 797 CG PRO A 53 -6.790 7.526 -3.372 1.00 0.00 C ATOM 798 CD PRO A 53 -5.471 8.206 -2.969 1.00 0.00 C ATOM 0 HA PRO A 53 -6.835 7.496 -0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.483 5.745 -2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.335 7.208 -1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.621 6.811 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.502 8.263 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.637 7.834 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.518 9.284 -3.125 1.00 0.00 H new ATOM 806 N THR A 54 -6.093 5.293 0.714 1.00 0.00 N ATOM 807 CA THR A 54 -5.550 4.007 1.235 1.00 0.00 C ATOM 808 C THR A 54 -6.681 3.154 1.824 1.00 0.00 C ATOM 809 O THR A 54 -7.834 3.533 1.810 1.00 0.00 O ATOM 810 CB THR A 54 -4.514 4.308 2.317 1.00 0.00 C ATOM 811 OG1 THR A 54 -5.157 4.898 3.438 1.00 0.00 O ATOM 812 CG2 THR A 54 -3.475 5.275 1.755 1.00 0.00 C ATOM 0 H THR A 54 -6.703 5.799 1.357 1.00 0.00 H new ATOM 0 HA THR A 54 -5.085 3.453 0.420 1.00 0.00 H new ATOM 0 HB THR A 54 -4.026 3.384 2.628 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.493 5.090 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.731 5.495 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.985 4.822 0.893 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.966 6.199 1.449 1.00 0.00 H new ATOM 820 N LYS A 55 -6.349 1.997 2.330 1.00 0.00 N ATOM 821 CA LYS A 55 -7.382 1.094 2.913 1.00 0.00 C ATOM 822 C LYS A 55 -8.306 1.866 3.862 1.00 0.00 C ATOM 823 O LYS A 55 -7.870 2.669 4.662 1.00 0.00 O ATOM 824 CB LYS A 55 -6.685 -0.030 3.681 1.00 0.00 C ATOM 825 CG LYS A 55 -6.760 -1.329 2.873 1.00 0.00 C ATOM 826 CD LYS A 55 -8.194 -1.863 2.895 1.00 0.00 C ATOM 827 CE LYS A 55 -8.232 -3.261 2.273 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.508 -3.438 1.518 1.00 0.00 N ATOM 0 H LYS A 55 -5.396 1.636 2.364 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.986 0.680 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.644 0.234 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.158 -0.167 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.444 -1.149 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.079 -2.070 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.563 -1.900 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.851 -1.191 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.381 -3.397 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.150 -4.019 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.820 -4.427 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.238 -2.815 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.356 -3.195 0.518 1.00 0.00 H new ATOM 842 N THR A 56 -9.585 1.607 3.782 1.00 0.00 N ATOM 843 CA THR A 56 -10.557 2.297 4.678 1.00 0.00 C ATOM 844 C THR A 56 -10.953 1.340 5.801 1.00 0.00 C ATOM 845 O THR A 56 -10.307 1.264 6.827 1.00 0.00 O ATOM 846 CB THR A 56 -11.797 2.691 3.871 1.00 0.00 C ATOM 847 OG1 THR A 56 -11.481 3.787 3.024 1.00 0.00 O ATOM 848 CG2 THR A 56 -12.928 3.089 4.821 1.00 0.00 C ATOM 0 H THR A 56 -10.000 0.942 3.129 1.00 0.00 H new ATOM 0 HA THR A 56 -10.107 3.195 5.102 1.00 0.00 H new ATOM 0 HB THR A 56 -12.118 1.843 3.266 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.331 3.463 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.808 3.369 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.172 2.247 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.611 3.935 5.430 1.00 0.00 H new ATOM 856 N SER A 57 -12.002 0.599 5.603 1.00 0.00 N ATOM 857 CA SER A 57 -12.442 -0.368 6.634 1.00 0.00 C ATOM 858 C SER A 57 -12.213 -1.790 6.119 1.00 0.00 C ATOM 859 O SER A 57 -13.036 -2.667 6.290 1.00 0.00 O ATOM 860 CB SER A 57 -13.924 -0.160 6.947 1.00 0.00 C ATOM 861 OG SER A 57 -14.564 0.429 5.823 1.00 0.00 O ATOM 0 H SER A 57 -12.578 0.624 4.762 1.00 0.00 H new ATOM 0 HA SER A 57 -11.866 -0.213 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.394 -1.113 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.036 0.481 7.821 1.00 0.00 H new ATOM 0 HG SER A 57 -15.515 0.562 6.020 1.00 0.00 H new ATOM 867 N GLY A 58 -11.092 -2.017 5.492 1.00 0.00 N ATOM 868 CA GLY A 58 -10.782 -3.376 4.958 1.00 0.00 C ATOM 869 C GLY A 58 -11.791 -3.757 3.870 1.00 0.00 C ATOM 870 O GLY A 58 -11.831 -4.884 3.419 1.00 0.00 O ATOM 0 H GLY A 58 -10.371 -1.315 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.771 -3.393 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.812 -4.108 5.765 1.00 0.00 H new ATOM 874 N LYS A 59 -12.605 -2.833 3.442 1.00 0.00 N ATOM 875 CA LYS A 59 -13.607 -3.161 2.388 1.00 0.00 C ATOM 876 C LYS A 59 -13.065 -2.767 1.010 1.00 0.00 C ATOM 877 O LYS A 59 -12.193 -1.930 0.888 1.00 0.00 O ATOM 878 CB LYS A 59 -14.902 -2.394 2.667 1.00 0.00 C ATOM 879 CG LYS A 59 -14.696 -0.912 2.348 1.00 0.00 C ATOM 880 CD LYS A 59 -15.977 -0.138 2.663 1.00 0.00 C ATOM 881 CE LYS A 59 -15.658 1.352 2.779 1.00 0.00 C ATOM 882 NZ LYS A 59 -15.547 1.944 1.416 1.00 0.00 N ATOM 0 H LYS A 59 -12.621 -1.869 3.774 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.804 -4.233 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.714 -2.798 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.191 -2.515 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.866 -0.515 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.433 -0.789 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.716 -0.302 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.414 -0.501 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.440 1.859 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.726 1.494 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.330 2.958 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.787 1.467 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.447 1.821 0.910 1.00 0.00 H new ATOM 896 N CYS A 60 -13.581 -3.365 -0.030 1.00 0.00 N ATOM 897 CA CYS A 60 -13.105 -3.030 -1.403 1.00 0.00 C ATOM 898 C CYS A 60 -14.150 -3.487 -2.424 1.00 0.00 C ATOM 899 O CYS A 60 -14.102 -4.592 -2.925 1.00 0.00 O ATOM 900 CB CYS A 60 -11.776 -3.741 -1.669 1.00 0.00 C ATOM 901 SG CYS A 60 -11.167 -3.284 -3.313 1.00 0.00 S ATOM 0 H CYS A 60 -14.314 -4.073 0.012 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.959 -1.953 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.045 -3.465 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.910 -4.821 -1.606 1.00 0.00 H new ATOM 906 N ASN A 61 -15.103 -2.644 -2.726 1.00 0.00 N ATOM 907 CA ASN A 61 -16.162 -3.019 -3.698 1.00 0.00 C ATOM 908 C ASN A 61 -15.957 -2.255 -5.014 1.00 0.00 C ATOM 909 O ASN A 61 -15.268 -1.256 -5.047 1.00 0.00 O ATOM 910 CB ASN A 61 -17.531 -2.653 -3.117 1.00 0.00 C ATOM 911 CG ASN A 61 -17.396 -1.500 -2.118 1.00 0.00 C ATOM 912 OD1 ASN A 61 -16.830 -0.472 -2.432 1.00 0.00 O ATOM 913 ND2 ASN A 61 -17.894 -1.629 -0.918 1.00 0.00 N ATOM 0 H ASN A 61 -15.190 -1.706 -2.336 1.00 0.00 H new ATOM 0 HA ASN A 61 -16.111 -4.091 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -18.210 -2.369 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -17.968 -3.521 -2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.808 -0.867 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.369 -2.492 -0.653 1.00 0.00 H new ATOM 920 N PRO A 62 -16.569 -2.755 -6.060 1.00 0.00 N ATOM 921 CA PRO A 62 -16.476 -2.141 -7.399 1.00 0.00 C ATOM 922 C PRO A 62 -17.136 -0.758 -7.394 1.00 0.00 C ATOM 923 O PRO A 62 -17.671 -0.319 -6.395 1.00 0.00 O ATOM 924 CB PRO A 62 -17.250 -3.095 -8.321 1.00 0.00 C ATOM 925 CG PRO A 62 -17.882 -4.199 -7.433 1.00 0.00 C ATOM 926 CD PRO A 62 -17.395 -3.975 -5.993 1.00 0.00 C ATOM 0 HA PRO A 62 -15.444 -2.002 -7.720 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -18.023 -2.555 -8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.583 -3.535 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -18.970 -4.152 -7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.590 -5.188 -7.786 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -18.233 -3.848 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.816 -4.826 -5.635 1.00 0.00 H new ATOM 934 N ALA A 63 -17.109 -0.070 -8.504 1.00 0.00 N ATOM 935 CA ALA A 63 -17.743 1.278 -8.555 1.00 0.00 C ATOM 936 C ALA A 63 -17.278 2.018 -9.812 1.00 0.00 C ATOM 937 O ALA A 63 -16.266 1.624 -10.369 1.00 0.00 O ATOM 938 CB ALA A 63 -17.344 2.076 -7.312 1.00 0.00 C ATOM 939 OXT ALA A 63 -17.945 2.964 -10.198 1.00 0.00 O ATOM 0 H ALA A 63 -16.677 -0.382 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.827 1.168 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -17.807 3.062 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -17.680 1.550 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -16.260 2.185 -7.282 1.00 0.00 H new TER 945 ALA A 63