USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 599 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 23 ASN : amide:sc= -0.0952 K(o=1.1,f=0.075) USER MOD Set 1.2: A 84 TYR OH : rot -168:sc= 1.15 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -0.0284 K(o=-1.5,f=-5.3!) USER MOD Set 2.2: A 74 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.3!) USER MOD Set 3.1: A 22 GLN :FLIP amide:sc= 0.918 F(o=1.3,f=2) USER MOD Set 3.2: A 26 THR OG1 : rot 151:sc= 1.07 USER MOD Set 4.1: A 1 GLY N :NH3+ -146:sc= 1.19 (180deg=-0.571) USER MOD Set 4.2: A 42 SER OG : rot -120:sc= 1.09 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 172:sc= -0.0312 (180deg=-0.206) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.332 K(o=-0.33,f=-9.8!) USER MOD Single : A 14 ASN : amide:sc=-0.00787 X(o=-0.0079,f=-0.46) USER MOD Single : A 15 THR OG1 : rot -32:sc= 0.66 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 166:sc= -0.192 (180deg=-0.963) USER MOD Single : A 39 THR OG1 : rot 162:sc= 2.24 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.414 (180deg=-1.93!) USER MOD Single : A 47 GLN : amide:sc= -1.43! C(o=-1.4!,f=-1.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00633 USER MOD Single : A 62 SER OG : rot -129:sc= 0.442 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.73 K(o=-1.7,f=-7.8!) USER MOD Single : A 71 THR OG1 : rot 61:sc= 0.957 USER MOD Single : A 76 ASN : amide:sc= 0.473 X(o=0.47,f=-0.0068) USER MOD Single : A 77 THR OG1 : rot 79:sc= 0.398 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -84:sc= 2.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.468 0.593 -14.206 1.00 0.00 N ATOM 2 CA GLY A 1 13.693 -0.135 -13.886 1.00 0.00 C ATOM 3 C GLY A 1 13.510 -0.955 -12.628 1.00 0.00 C ATOM 4 O GLY A 1 13.939 -2.105 -12.550 1.00 0.00 O ATOM 0 H1 GLY A 1 12.364 0.661 -15.239 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.650 0.088 -13.808 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.516 1.549 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.962 -0.788 -14.716 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.516 0.567 -13.753 1.00 0.00 H new ATOM 7 N ASP A 2 12.876 -0.344 -11.638 1.00 0.00 N ATOM 8 CA ASP A 2 12.704 -0.891 -10.309 1.00 0.00 C ATOM 9 C ASP A 2 11.215 -1.036 -10.042 1.00 0.00 C ATOM 10 O ASP A 2 10.587 -0.154 -9.463 1.00 0.00 O ATOM 11 CB ASP A 2 13.362 0.041 -9.287 1.00 0.00 C ATOM 12 CG ASP A 2 14.853 0.144 -9.479 1.00 0.00 C ATOM 13 OD1 ASP A 2 15.552 -0.868 -9.262 1.00 0.00 O ATOM 14 OD2 ASP A 2 15.327 1.227 -9.869 1.00 0.00 O ATOM 0 H ASP A 2 12.454 0.578 -11.746 1.00 0.00 H new ATOM 0 HA ASP A 2 13.178 -1.869 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.919 1.034 -9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.152 -0.322 -8.281 1.00 0.00 H new ATOM 19 N GLY A 3 10.620 -2.144 -10.462 1.00 0.00 N ATOM 20 CA GLY A 3 9.348 -2.546 -9.894 1.00 0.00 C ATOM 21 C GLY A 3 9.521 -2.791 -8.403 1.00 0.00 C ATOM 22 O GLY A 3 10.533 -3.344 -7.962 1.00 0.00 O ATOM 0 H GLY A 3 10.991 -2.767 -11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.600 -1.772 -10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.987 -3.450 -10.384 1.00 0.00 H new ATOM 26 N TYR A 4 8.519 -2.405 -7.632 1.00 0.00 N ATOM 27 CA TYR A 4 8.466 -2.513 -6.181 1.00 0.00 C ATOM 28 C TYR A 4 7.040 -2.207 -5.753 1.00 0.00 C ATOM 29 O TYR A 4 6.167 -2.025 -6.599 1.00 0.00 O ATOM 30 CB TYR A 4 9.507 -1.595 -5.511 1.00 0.00 C ATOM 31 CG TYR A 4 9.631 -0.189 -6.071 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.516 0.666 -6.151 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.886 0.273 -6.506 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.640 1.934 -6.742 1.00 0.00 C ATOM 35 CE2 TYR A 4 11.010 1.549 -7.080 1.00 0.00 C ATOM 36 CZ TYR A 4 9.882 2.364 -7.235 1.00 0.00 C ATOM 37 OH TYR A 4 10.014 3.576 -7.845 1.00 0.00 O ATOM 0 H TYR A 4 7.675 -1.985 -8.021 1.00 0.00 H new ATOM 0 HA TYR A 4 8.728 -3.520 -5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.264 -1.520 -4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.482 -2.077 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.563 0.346 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.758 -0.356 -6.398 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.778 2.580 -6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.978 1.902 -7.403 1.00 0.00 H new ATOM 0 HH TYR A 4 10.946 3.704 -8.120 1.00 0.00 H new ATOM 47 N LEU A 5 6.803 -2.138 -4.448 1.00 0.00 N ATOM 48 CA LEU A 5 5.517 -1.750 -3.915 1.00 0.00 C ATOM 49 C LEU A 5 5.798 -0.889 -2.690 1.00 0.00 C ATOM 50 O LEU A 5 6.220 -1.412 -1.661 1.00 0.00 O ATOM 51 CB LEU A 5 4.694 -3.019 -3.641 1.00 0.00 C ATOM 52 CG LEU A 5 3.188 -2.755 -3.734 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.417 -4.074 -3.766 1.00 0.00 C ATOM 54 CD2 LEU A 5 2.699 -1.911 -2.558 1.00 0.00 C ATOM 0 H LEU A 5 7.501 -2.351 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 5 4.913 -1.157 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.972 -3.793 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.935 -3.401 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 5 3.007 -2.204 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.348 -3.869 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.729 -4.657 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.623 -4.638 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.627 -1.741 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.902 -2.436 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.219 -0.953 -2.556 1.00 0.00 H new ATOM 66 N ILE A 6 5.651 0.423 -2.840 1.00 0.00 N ATOM 67 CA ILE A 6 5.811 1.425 -1.798 1.00 0.00 C ATOM 68 C ILE A 6 4.638 2.387 -1.953 1.00 0.00 C ATOM 69 O ILE A 6 4.018 2.420 -3.021 1.00 0.00 O ATOM 70 CB ILE A 6 7.151 2.172 -1.955 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.324 2.739 -3.378 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.344 1.294 -1.565 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.692 3.386 -3.614 1.00 0.00 C ATOM 0 H ILE A 6 5.404 0.835 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 6 5.822 0.967 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 6 7.124 3.014 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.181 1.936 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.544 3.478 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.268 1.859 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.245 0.987 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.369 0.411 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.745 3.763 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.830 4.211 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.476 2.645 -3.460 1.00 0.00 H new ATOM 85 N MET A 7 4.321 3.165 -0.920 1.00 0.00 N ATOM 86 CA MET A 7 3.394 4.258 -1.010 1.00 0.00 C ATOM 87 C MET A 7 4.015 5.547 -0.517 1.00 0.00 C ATOM 88 O MET A 7 4.962 5.569 0.262 1.00 0.00 O ATOM 89 CB MET A 7 2.092 3.920 -0.298 1.00 0.00 C ATOM 90 CG MET A 7 2.187 3.647 1.204 1.00 0.00 C ATOM 91 SD MET A 7 0.579 3.597 2.045 1.00 0.00 S ATOM 92 CE MET A 7 -0.276 2.314 1.102 1.00 0.00 C ATOM 0 H MET A 7 4.715 3.040 0.012 1.00 0.00 H new ATOM 0 HA MET A 7 3.148 4.419 -2.060 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.395 4.744 -0.452 1.00 0.00 H new ATOM 0 HB3 MET A 7 1.659 3.042 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.697 2.696 1.359 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.804 4.418 1.665 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.221 2.073 1.589 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.470 2.674 0.092 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.347 1.421 1.056 1.00 0.00 H new ATOM 102 N CYS A 8 3.482 6.637 -1.029 1.00 0.00 N ATOM 103 CA CYS A 8 4.066 7.954 -1.017 1.00 0.00 C ATOM 104 C CYS A 8 2.977 8.922 -0.640 1.00 0.00 C ATOM 105 O CYS A 8 1.785 8.619 -0.629 1.00 0.00 O ATOM 106 CB CYS A 8 4.559 8.391 -2.417 1.00 0.00 C ATOM 107 SG CYS A 8 6.271 8.180 -2.935 1.00 0.00 S ATOM 0 H CYS A 8 2.573 6.621 -1.492 1.00 0.00 H new ATOM 0 HA CYS A 8 4.910 7.942 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.943 7.864 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.330 9.452 -2.514 1.00 0.00 H new ATOM 112 N LYS A 9 3.414 10.137 -0.378 1.00 0.00 N ATOM 113 CA LYS A 9 2.519 11.282 -0.270 1.00 0.00 C ATOM 114 C LYS A 9 2.055 11.889 -1.585 1.00 0.00 C ATOM 115 O LYS A 9 1.022 12.553 -1.658 1.00 0.00 O ATOM 116 CB LYS A 9 3.135 12.279 0.687 1.00 0.00 C ATOM 117 CG LYS A 9 4.494 12.824 0.261 1.00 0.00 C ATOM 118 CD LYS A 9 4.290 14.101 -0.551 1.00 0.00 C ATOM 119 CE LYS A 9 4.079 15.330 0.343 1.00 0.00 C ATOM 120 NZ LYS A 9 3.610 16.482 -0.443 1.00 0.00 N ATOM 0 H LYS A 9 4.398 10.363 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 9 1.573 10.922 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.447 13.115 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.240 11.806 1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.108 13.030 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.027 12.082 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.157 14.264 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.428 13.979 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.353 15.097 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.013 15.584 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.475 17.299 0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.316 16.717 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.707 16.245 -0.901 1.00 0.00 H new ATOM 134 N ASN A 10 2.835 11.698 -2.630 1.00 0.00 N ATOM 135 CA ASN A 10 2.422 12.084 -3.977 1.00 0.00 C ATOM 136 C ASN A 10 2.807 11.062 -5.025 1.00 0.00 C ATOM 137 O ASN A 10 3.319 9.995 -4.702 1.00 0.00 O ATOM 138 CB ASN A 10 2.845 13.518 -4.321 1.00 0.00 C ATOM 139 CG ASN A 10 4.253 13.702 -4.860 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.013 12.758 -4.995 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.631 14.946 -5.111 1.00 0.00 N ATOM 0 H ASN A 10 3.763 11.277 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 10 1.332 12.090 -3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.144 13.912 -5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.742 14.128 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.582 15.136 -5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.971 15.714 -4.988 1.00 0.00 H new ATOM 148 N CYS A 11 2.520 11.390 -6.277 1.00 0.00 N ATOM 149 CA CYS A 11 2.628 10.453 -7.383 1.00 0.00 C ATOM 150 C CYS A 11 4.057 10.362 -7.914 1.00 0.00 C ATOM 151 O CYS A 11 4.311 9.650 -8.886 1.00 0.00 O ATOM 152 CB CYS A 11 1.678 10.934 -8.479 1.00 0.00 C ATOM 153 SG CYS A 11 1.353 9.805 -9.841 1.00 0.00 S ATOM 0 H CYS A 11 2.204 12.319 -6.554 1.00 0.00 H new ATOM 0 HA CYS A 11 2.361 9.452 -7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.725 11.185 -8.013 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.082 11.857 -8.895 1.00 0.00 H new ATOM 158 N ASP A 12 4.998 11.063 -7.276 1.00 0.00 N ATOM 159 CA ASP A 12 6.393 11.129 -7.700 1.00 0.00 C ATOM 160 C ASP A 12 7.275 10.432 -6.654 1.00 0.00 C ATOM 161 O ASP A 12 7.377 10.916 -5.530 1.00 0.00 O ATOM 162 CB ASP A 12 6.789 12.601 -7.881 1.00 0.00 C ATOM 163 CG ASP A 12 8.187 12.744 -8.442 1.00 0.00 C ATOM 164 OD1 ASP A 12 9.096 12.084 -7.910 1.00 0.00 O ATOM 165 OD2 ASP A 12 8.365 13.557 -9.372 1.00 0.00 O ATOM 0 H ASP A 12 4.805 11.609 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 12 6.531 10.616 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.078 13.089 -8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.729 13.114 -6.921 1.00 0.00 H new ATOM 170 N PRO A 13 7.937 9.306 -6.950 1.00 0.00 N ATOM 171 CA PRO A 13 8.828 8.684 -5.980 1.00 0.00 C ATOM 172 C PRO A 13 10.031 9.583 -5.693 1.00 0.00 C ATOM 173 O PRO A 13 10.522 9.655 -4.566 1.00 0.00 O ATOM 174 CB PRO A 13 9.288 7.377 -6.629 1.00 0.00 C ATOM 175 CG PRO A 13 9.217 7.692 -8.125 1.00 0.00 C ATOM 176 CD PRO A 13 8.026 8.645 -8.240 1.00 0.00 C ATOM 0 HA PRO A 13 8.326 8.514 -5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.298 7.107 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.639 6.543 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.137 8.156 -8.480 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.066 6.790 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.177 9.367 -9.042 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.109 8.102 -8.468 1.00 0.00 H new ATOM 184 N ASN A 14 10.542 10.224 -6.737 1.00 0.00 N ATOM 185 CA ASN A 14 11.830 10.878 -6.798 1.00 0.00 C ATOM 186 C ASN A 14 11.849 12.134 -5.934 1.00 0.00 C ATOM 187 O ASN A 14 12.875 12.446 -5.329 1.00 0.00 O ATOM 188 CB ASN A 14 12.142 11.202 -8.261 1.00 0.00 C ATOM 189 CG ASN A 14 13.586 11.634 -8.449 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.974 12.730 -8.063 1.00 0.00 O ATOM 191 ND2 ASN A 14 14.409 10.787 -9.059 1.00 0.00 N ATOM 0 H ASN A 14 10.030 10.302 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 14 12.598 10.214 -6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.942 10.326 -8.878 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.478 11.994 -8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.384 11.045 -9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.066 9.879 -9.373 1.00 0.00 H new ATOM 198 N THR A 15 10.725 12.844 -5.835 1.00 0.00 N ATOM 199 CA THR A 15 10.597 14.021 -4.984 1.00 0.00 C ATOM 200 C THR A 15 9.289 14.037 -4.179 1.00 0.00 C ATOM 201 O THR A 15 8.935 15.058 -3.586 1.00 0.00 O ATOM 202 CB THR A 15 10.880 15.294 -5.807 1.00 0.00 C ATOM 203 OG1 THR A 15 10.867 16.461 -5.006 1.00 0.00 O ATOM 204 CG2 THR A 15 9.920 15.465 -6.983 1.00 0.00 C ATOM 0 H THR A 15 9.874 12.615 -6.348 1.00 0.00 H new ATOM 0 HA THR A 15 11.359 13.983 -4.205 1.00 0.00 H new ATOM 0 HB THR A 15 11.884 15.159 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.226 16.348 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.168 16.378 -7.525 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.009 14.610 -7.653 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.897 15.530 -6.611 1.00 0.00 H new ATOM 212 N GLY A 16 8.578 12.918 -4.078 1.00 0.00 N ATOM 213 CA GLY A 16 7.438 12.786 -3.178 1.00 0.00 C ATOM 214 C GLY A 16 7.893 12.366 -1.791 1.00 0.00 C ATOM 215 O GLY A 16 7.456 12.939 -0.795 1.00 0.00 O ATOM 0 H GLY A 16 8.777 12.076 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.904 13.734 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.739 12.050 -3.575 1.00 0.00 H new ATOM 219 N SER A 17 8.768 11.359 -1.746 1.00 0.00 N ATOM 220 CA SER A 17 9.132 10.605 -0.555 1.00 0.00 C ATOM 221 C SER A 17 8.068 9.532 -0.314 1.00 0.00 C ATOM 222 O SER A 17 6.874 9.839 -0.253 1.00 0.00 O ATOM 223 CB SER A 17 9.341 11.494 0.679 1.00 0.00 C ATOM 224 OG SER A 17 10.274 10.887 1.549 1.00 0.00 O ATOM 0 H SER A 17 9.261 11.036 -2.578 1.00 0.00 H new ATOM 0 HA SER A 17 10.099 10.132 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.699 12.477 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.393 11.646 1.195 1.00 0.00 H new ATOM 0 HG SER A 17 10.407 11.457 2.335 1.00 0.00 H new ATOM 230 N CYS A 18 8.521 8.280 -0.225 1.00 0.00 N ATOM 231 CA CYS A 18 7.704 7.079 -0.056 1.00 0.00 C ATOM 232 C CYS A 18 8.174 6.282 1.152 1.00 0.00 C ATOM 233 O CYS A 18 9.268 6.535 1.657 1.00 0.00 O ATOM 234 CB CYS A 18 7.843 6.142 -1.274 1.00 0.00 C ATOM 235 SG CYS A 18 6.633 6.176 -2.610 1.00 0.00 S ATOM 0 H CYS A 18 9.517 8.067 -0.271 1.00 0.00 H new ATOM 0 HA CYS A 18 6.673 7.412 0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.818 6.340 -1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.869 5.122 -0.891 1.00 0.00 H new ATOM 240 N ASP A 19 7.414 5.258 1.554 1.00 0.00 N ATOM 241 CA ASP A 19 7.872 4.230 2.484 1.00 0.00 C ATOM 242 C ASP A 19 8.520 3.033 1.785 1.00 0.00 C ATOM 243 O ASP A 19 7.918 1.992 1.540 1.00 0.00 O ATOM 244 CB ASP A 19 6.769 3.762 3.422 1.00 0.00 C ATOM 245 CG ASP A 19 5.488 3.317 2.757 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.468 3.088 1.534 1.00 0.00 O ATOM 247 OD2 ASP A 19 4.481 3.266 3.488 1.00 0.00 O ATOM 0 H ASP A 19 6.454 5.122 1.237 1.00 0.00 H new ATOM 0 HA ASP A 19 8.644 4.714 3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.152 2.935 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.536 4.573 4.112 1.00 0.00 H new ATOM 252 N TRP A 20 9.836 3.095 1.672 1.00 0.00 N ATOM 253 CA TRP A 20 10.684 1.995 1.234 1.00 0.00 C ATOM 254 C TRP A 20 10.971 1.091 2.444 1.00 0.00 C ATOM 255 O TRP A 20 12.110 0.713 2.721 1.00 0.00 O ATOM 256 CB TRP A 20 11.955 2.598 0.628 1.00 0.00 C ATOM 257 CG TRP A 20 11.761 3.533 -0.529 1.00 0.00 C ATOM 258 CD1 TRP A 20 11.448 4.841 -0.429 1.00 0.00 C ATOM 259 CD2 TRP A 20 11.948 3.289 -1.953 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.480 5.430 -1.671 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.801 4.522 -2.656 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.224 2.141 -2.721 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.969 4.622 -4.045 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.444 2.236 -4.108 1.00 0.00 C ATOM 265 CH2 TRP A 20 12.331 3.475 -4.767 1.00 0.00 C ATOM 0 H TRP A 20 10.363 3.941 1.890 1.00 0.00 H new ATOM 0 HA TRP A 20 10.207 1.378 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.488 3.132 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.600 1.781 0.304 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.207 5.351 0.492 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.290 6.417 -1.842 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.267 1.175 -2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.822 5.565 -4.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.702 1.351 -4.671 1.00 0.00 H new ATOM 0 HH2 TRP A 20 12.523 3.542 -5.828 1.00 0.00 H new ATOM 276 N LYS A 21 9.924 0.785 3.206 1.00 0.00 N ATOM 277 CA LYS A 21 9.964 -0.001 4.427 1.00 0.00 C ATOM 278 C LYS A 21 9.877 -1.486 4.083 1.00 0.00 C ATOM 279 O LYS A 21 9.486 -1.842 2.973 1.00 0.00 O ATOM 280 CB LYS A 21 8.789 0.423 5.323 1.00 0.00 C ATOM 281 CG LYS A 21 9.262 1.262 6.513 1.00 0.00 C ATOM 282 CD LYS A 21 9.875 0.336 7.570 1.00 0.00 C ATOM 283 CE LYS A 21 10.362 1.139 8.778 1.00 0.00 C ATOM 284 NZ LYS A 21 11.141 0.307 9.714 1.00 0.00 N ATOM 0 H LYS A 21 8.981 1.096 2.974 1.00 0.00 H new ATOM 0 HA LYS A 21 10.900 0.171 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.071 0.996 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.269 -0.464 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.997 1.997 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.425 1.816 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.136 -0.398 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.707 -0.218 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.976 1.973 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.505 1.566 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.452 0.888 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.548 -0.474 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.973 -0.081 9.224 1.00 0.00 H new ATOM 298 N GLN A 22 10.225 -2.359 5.032 1.00 0.00 N ATOM 299 CA GLN A 22 9.799 -3.740 4.925 1.00 0.00 C ATOM 300 C GLN A 22 8.301 -3.720 5.187 1.00 0.00 C ATOM 301 O GLN A 22 7.836 -2.988 6.057 1.00 0.00 O ATOM 302 CB GLN A 22 10.492 -4.620 5.969 1.00 0.00 C ATOM 303 CG GLN A 22 10.296 -6.116 5.684 1.00 0.00 C ATOM 304 CD GLN A 22 10.949 -6.977 6.757 1.00 0.00 C ATOM 305 OE1 GLN A 22 10.355 -7.032 7.937 1.00 0.00 O flip ATOM 306 NE2 GLN A 22 11.953 -7.644 6.526 1.00 0.00 N flip ATOM 0 H GLN A 22 10.784 -2.136 5.856 1.00 0.00 H new ATOM 0 HA GLN A 22 10.050 -4.152 3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.558 -4.391 5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.100 -4.385 6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.231 -6.342 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.721 -6.361 4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.401 -7.592 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.340 -8.251 7.249 1.00 0.00 H new ATOM 315 N ASN A 23 7.573 -4.565 4.478 1.00 0.00 N ATOM 316 CA ASN A 23 6.121 -4.510 4.398 1.00 0.00 C ATOM 317 C ASN A 23 5.589 -5.929 4.502 1.00 0.00 C ATOM 318 O ASN A 23 4.640 -6.206 5.235 1.00 0.00 O ATOM 319 CB ASN A 23 5.685 -3.878 3.067 1.00 0.00 C ATOM 320 CG ASN A 23 6.199 -2.453 2.861 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.505 -1.734 3.803 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.300 -2.022 1.615 1.00 0.00 N ATOM 0 H ASN A 23 7.981 -5.323 3.931 1.00 0.00 H new ATOM 0 HA ASN A 23 5.724 -3.898 5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.037 -4.503 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.596 -3.872 3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.637 -1.078 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.041 -2.634 0.841 1.00 0.00 H new ATOM 329 N TRP A 24 6.230 -6.844 3.775 1.00 0.00 N ATOM 330 CA TRP A 24 5.948 -8.256 3.767 1.00 0.00 C ATOM 331 C TRP A 24 5.847 -8.765 5.198 1.00 0.00 C ATOM 332 O TRP A 24 6.835 -8.761 5.929 1.00 0.00 O ATOM 333 CB TRP A 24 7.085 -8.957 3.018 1.00 0.00 C ATOM 334 CG TRP A 24 6.830 -9.175 1.565 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.516 -8.627 0.540 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.765 -9.965 0.965 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.977 -9.057 -0.652 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.869 -9.856 -0.452 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.712 -10.748 1.483 1.00 0.00 C ATOM 340 CZ2 TRP A 24 4.960 -10.487 -1.311 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.774 -11.352 0.630 1.00 0.00 C ATOM 342 CH2 TRP A 24 3.910 -11.238 -0.764 1.00 0.00 C ATOM 0 H TRP A 24 6.996 -6.595 3.149 1.00 0.00 H new ATOM 0 HA TRP A 24 5.000 -8.461 3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.994 -8.366 3.129 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.272 -9.922 3.489 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.356 -7.956 0.639 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.350 -8.815 -1.570 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.626 -10.885 2.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.067 -10.396 -2.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.946 -11.906 1.047 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.204 -11.730 -1.416 1.00 0.00 H new ATOM 353 N ASN A 25 4.652 -9.195 5.590 1.00 0.00 N ATOM 354 CA ASN A 25 4.358 -9.821 6.877 1.00 0.00 C ATOM 355 C ASN A 25 4.773 -8.950 8.065 1.00 0.00 C ATOM 356 O ASN A 25 4.864 -9.437 9.189 1.00 0.00 O ATOM 357 CB ASN A 25 5.008 -11.211 6.967 1.00 0.00 C ATOM 358 CG ASN A 25 4.446 -12.162 5.922 1.00 0.00 C ATOM 359 OD1 ASN A 25 3.320 -12.630 6.065 1.00 0.00 O ATOM 360 ND2 ASN A 25 5.198 -12.452 4.866 1.00 0.00 N ATOM 0 H ASN A 25 3.827 -9.114 4.996 1.00 0.00 H new ATOM 0 HA ASN A 25 3.275 -9.934 6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.086 -11.118 6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.845 -11.626 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.844 -13.080 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.130 -12.047 4.777 1.00 0.00 H new ATOM 367 N THR A 26 4.956 -7.650 7.859 1.00 0.00 N ATOM 368 CA THR A 26 5.446 -6.730 8.882 1.00 0.00 C ATOM 369 C THR A 26 4.273 -5.791 9.141 1.00 0.00 C ATOM 370 O THR A 26 3.212 -6.014 8.589 1.00 0.00 O ATOM 371 CB THR A 26 6.746 -6.094 8.356 1.00 0.00 C ATOM 372 OG1 THR A 26 7.840 -6.713 9.004 1.00 0.00 O ATOM 373 CG2 THR A 26 6.933 -4.593 8.559 1.00 0.00 C ATOM 0 H THR A 26 4.766 -7.198 6.964 1.00 0.00 H new ATOM 0 HA THR A 26 5.732 -7.168 9.839 1.00 0.00 H new ATOM 0 HB THR A 26 6.686 -6.247 7.279 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.620 -6.701 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.891 -4.286 8.140 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.128 -4.055 8.058 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.914 -4.365 9.625 1.00 0.00 H new ATOM 381 N CYS A 27 4.360 -4.817 10.028 1.00 0.00 N ATOM 382 CA CYS A 27 3.196 -4.097 10.502 1.00 0.00 C ATOM 383 C CYS A 27 3.578 -2.668 10.856 1.00 0.00 C ATOM 384 O CYS A 27 3.750 -2.323 12.022 1.00 0.00 O ATOM 385 CB CYS A 27 2.548 -4.875 11.653 1.00 0.00 C ATOM 386 SG CYS A 27 0.948 -4.275 12.235 1.00 0.00 S ATOM 0 H CYS A 27 5.240 -4.504 10.439 1.00 0.00 H new ATOM 0 HA CYS A 27 2.442 -4.019 9.719 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.429 -5.912 11.339 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.239 -4.875 12.496 1.00 0.00 H new ATOM 391 N VAL A 28 3.785 -1.847 9.828 1.00 0.00 N ATOM 392 CA VAL A 28 4.418 -0.537 9.943 1.00 0.00 C ATOM 393 C VAL A 28 3.352 0.479 10.358 1.00 0.00 C ATOM 394 O VAL A 28 2.160 0.187 10.268 1.00 0.00 O ATOM 395 CB VAL A 28 5.046 -0.171 8.583 1.00 0.00 C ATOM 396 CG1 VAL A 28 6.002 1.024 8.666 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.826 -1.339 7.970 1.00 0.00 C ATOM 0 H VAL A 28 3.511 -2.080 8.873 1.00 0.00 H new ATOM 0 HA VAL A 28 5.207 -0.541 10.695 1.00 0.00 H new ATOM 0 HB VAL A 28 4.194 0.087 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.411 1.232 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.461 1.899 9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.815 0.792 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.249 -1.032 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.630 -1.634 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.155 -2.184 7.815 1.00 0.00 H new ATOM 407 N GLY A 29 3.750 1.660 10.835 1.00 0.00 N ATOM 408 CA GLY A 29 2.909 2.828 10.939 1.00 0.00 C ATOM 409 C GLY A 29 3.225 3.829 9.841 1.00 0.00 C ATOM 410 O GLY A 29 4.317 4.389 9.771 1.00 0.00 O ATOM 0 H GLY A 29 4.700 1.823 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.862 2.533 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.050 3.296 11.913 1.00 0.00 H new ATOM 414 N ILE A 30 2.237 4.036 8.996 1.00 0.00 N ATOM 415 CA ILE A 30 2.285 4.861 7.797 1.00 0.00 C ATOM 416 C ILE A 30 1.826 6.264 8.185 1.00 0.00 C ATOM 417 O ILE A 30 1.042 6.415 9.129 1.00 0.00 O ATOM 418 CB ILE A 30 1.351 4.237 6.743 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.927 2.971 6.090 1.00 0.00 C ATOM 420 CG2 ILE A 30 1.012 5.211 5.609 1.00 0.00 C ATOM 421 CD1 ILE A 30 2.589 1.959 7.027 1.00 0.00 C ATOM 0 H ILE A 30 1.321 3.609 9.132 1.00 0.00 H new ATOM 0 HA ILE A 30 3.289 4.917 7.377 1.00 0.00 H new ATOM 0 HB ILE A 30 0.455 3.982 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.122 2.466 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.661 3.276 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.351 4.721 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.514 6.089 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.929 5.516 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.955 1.112 6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.424 2.433 7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.861 1.610 7.759 1.00 0.00 H new ATOM 433 N GLY A 31 2.275 7.299 7.477 1.00 0.00 N ATOM 434 CA GLY A 31 1.677 8.607 7.606 1.00 0.00 C ATOM 435 C GLY A 31 2.507 9.677 6.922 1.00 0.00 C ATOM 436 O GLY A 31 3.401 9.382 6.135 1.00 0.00 O ATOM 0 H GLY A 31 3.048 7.248 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.676 8.593 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.566 8.853 8.662 1.00 0.00 H new ATOM 440 N ALA A 32 2.189 10.923 7.249 1.00 0.00 N ATOM 441 CA ALA A 32 2.759 12.149 6.727 1.00 0.00 C ATOM 442 C ALA A 32 2.362 12.439 5.292 1.00 0.00 C ATOM 443 O ALA A 32 3.163 12.332 4.366 1.00 0.00 O ATOM 444 CB ALA A 32 4.263 12.230 6.980 1.00 0.00 C ATOM 0 H ALA A 32 1.466 11.113 7.943 1.00 0.00 H new ATOM 0 HA ALA A 32 2.312 12.964 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.651 13.164 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.454 12.194 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.759 11.389 6.495 1.00 0.00 H new ATOM 450 N ASN A 33 1.100 12.841 5.131 1.00 0.00 N ATOM 451 CA ASN A 33 0.468 13.163 3.856 1.00 0.00 C ATOM 452 C ASN A 33 0.458 11.945 2.933 1.00 0.00 C ATOM 453 O ASN A 33 0.167 12.083 1.750 1.00 0.00 O ATOM 454 CB ASN A 33 1.131 14.355 3.141 1.00 0.00 C ATOM 455 CG ASN A 33 1.233 15.617 3.987 1.00 0.00 C ATOM 456 OD1 ASN A 33 0.230 16.158 4.440 1.00 0.00 O ATOM 457 ND2 ASN A 33 2.443 16.108 4.228 1.00 0.00 N ATOM 0 H ASN A 33 0.466 12.955 5.921 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.556 13.454 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.132 14.062 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.565 14.582 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.549 16.948 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.267 15.646 3.844 1.00 0.00 H new ATOM 464 N VAL A 34 0.780 10.753 3.441 1.00 0.00 N ATOM 465 CA VAL A 34 0.922 9.582 2.573 1.00 0.00 C ATOM 466 C VAL A 34 -0.465 9.125 2.126 1.00 0.00 C ATOM 467 O VAL A 34 -1.240 8.630 2.944 1.00 0.00 O ATOM 468 CB VAL A 34 1.697 8.469 3.292 1.00 0.00 C ATOM 469 CG1 VAL A 34 1.535 7.104 2.603 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.181 8.851 3.282 1.00 0.00 C ATOM 0 H VAL A 34 0.945 10.574 4.432 1.00 0.00 H new ATOM 0 HA VAL A 34 1.500 9.841 1.686 1.00 0.00 H new ATOM 0 HB VAL A 34 1.304 8.374 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.102 6.351 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.481 6.826 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.907 7.166 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.759 8.077 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.525 8.947 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.316 9.801 3.800 1.00 0.00 H new ATOM 480 N HIS A 35 -0.806 9.325 0.850 1.00 0.00 N ATOM 481 CA HIS A 35 -2.007 8.749 0.264 1.00 0.00 C ATOM 482 C HIS A 35 -1.849 8.383 -1.215 1.00 0.00 C ATOM 483 O HIS A 35 -2.810 8.508 -1.967 1.00 0.00 O ATOM 484 CB HIS A 35 -3.230 9.633 0.562 1.00 0.00 C ATOM 485 CG HIS A 35 -3.435 10.848 -0.303 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.527 11.048 -1.112 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.653 11.966 -0.375 1.00 0.00 C ATOM 488 CE1 HIS A 35 -4.412 12.268 -1.659 1.00 0.00 C ATOM 489 NE2 HIS A 35 -3.267 12.862 -1.265 1.00 0.00 N ATOM 0 H HIS A 35 -0.257 9.889 0.201 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.182 7.788 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.122 9.011 0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.161 9.965 1.598 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.289 10.388 -1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.728 12.131 0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.137 12.713 -2.324 1.00 0.00 H new ATOM 497 N TRP A 36 -0.669 7.936 -1.656 1.00 0.00 N ATOM 498 CA TRP A 36 -0.469 7.512 -3.048 1.00 0.00 C ATOM 499 C TRP A 36 0.417 6.283 -3.140 1.00 0.00 C ATOM 500 O TRP A 36 1.613 6.365 -2.908 1.00 0.00 O ATOM 501 CB TRP A 36 0.199 8.631 -3.836 1.00 0.00 C ATOM 502 CG TRP A 36 -0.664 9.828 -4.038 1.00 0.00 C ATOM 503 CD1 TRP A 36 -1.009 10.726 -3.094 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.418 10.186 -5.227 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.948 11.587 -3.607 1.00 0.00 N ATOM 506 CE2 TRP A 36 -2.205 11.335 -4.939 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.550 9.612 -6.504 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -3.048 11.916 -5.896 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.374 10.196 -7.482 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.119 11.350 -7.180 1.00 0.00 C ATOM 0 H TRP A 36 0.163 7.858 -1.071 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.451 7.275 -3.458 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.108 8.935 -3.317 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.502 8.245 -4.810 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.610 10.763 -2.091 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.401 12.325 -3.068 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.009 8.707 -6.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.636 12.788 -5.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.435 9.758 -8.467 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.746 11.801 -7.935 1.00 0.00 H new ATOM 521 N MET A 37 -0.117 5.157 -3.575 1.00 0.00 N ATOM 522 CA MET A 37 0.668 3.947 -3.757 1.00 0.00 C ATOM 523 C MET A 37 1.331 4.013 -5.125 1.00 0.00 C ATOM 524 O MET A 37 0.696 4.454 -6.080 1.00 0.00 O ATOM 525 CB MET A 37 -0.210 2.712 -3.586 1.00 0.00 C ATOM 526 CG MET A 37 0.611 1.424 -3.599 1.00 0.00 C ATOM 527 SD MET A 37 -0.344 -0.050 -3.202 1.00 0.00 S ATOM 528 CE MET A 37 -1.619 0.039 -4.469 1.00 0.00 C ATOM 0 H MET A 37 -1.104 5.054 -3.812 1.00 0.00 H new ATOM 0 HA MET A 37 1.447 3.872 -2.999 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.758 2.784 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.950 2.679 -4.386 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.060 1.300 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.429 1.519 -2.885 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.142 -0.916 -4.526 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.328 0.827 -4.217 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.160 0.259 -5.433 1.00 0.00 H new ATOM 538 N VAL A 38 2.593 3.602 -5.230 1.00 0.00 N ATOM 539 CA VAL A 38 3.357 3.690 -6.462 1.00 0.00 C ATOM 540 C VAL A 38 4.025 2.333 -6.688 1.00 0.00 C ATOM 541 O VAL A 38 5.009 1.991 -6.031 1.00 0.00 O ATOM 542 CB VAL A 38 4.342 4.879 -6.404 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.523 5.430 -7.820 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.852 6.044 -5.529 1.00 0.00 C ATOM 0 H VAL A 38 3.114 3.196 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 38 2.719 3.898 -7.321 1.00 0.00 H new ATOM 0 HB VAL A 38 5.265 4.495 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.216 6.271 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.922 4.648 -8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.560 5.764 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.595 6.842 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.909 6.423 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.705 5.695 -4.507 1.00 0.00 H new ATOM 554 N THR A 39 3.466 1.516 -7.576 1.00 0.00 N ATOM 555 CA THR A 39 3.737 0.081 -7.554 1.00 0.00 C ATOM 556 C THR A 39 4.891 -0.289 -8.490 1.00 0.00 C ATOM 557 O THR A 39 4.782 -1.224 -9.288 1.00 0.00 O ATOM 558 CB THR A 39 2.445 -0.648 -7.939 1.00 0.00 C ATOM 559 OG1 THR A 39 1.941 -0.075 -9.127 1.00 0.00 O ATOM 560 CG2 THR A 39 1.375 -0.483 -6.860 1.00 0.00 C ATOM 0 H THR A 39 2.829 1.818 -8.313 1.00 0.00 H new ATOM 0 HA THR A 39 4.050 -0.221 -6.555 1.00 0.00 H new ATOM 0 HB THR A 39 2.674 -1.706 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.300 -0.690 -9.540 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.470 -1.011 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.740 -0.896 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.151 0.576 -6.729 1.00 0.00 H new ATOM 568 N GLY A 40 6.011 0.423 -8.402 1.00 0.00 N ATOM 569 CA GLY A 40 7.109 0.306 -9.344 1.00 0.00 C ATOM 570 C GLY A 40 7.215 1.566 -10.188 1.00 0.00 C ATOM 571 O GLY A 40 6.734 2.625 -9.790 1.00 0.00 O ATOM 0 H GLY A 40 6.179 1.105 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.043 0.140 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.954 -0.560 -9.988 1.00 0.00 H new ATOM 575 N GLY A 41 7.789 1.448 -11.380 1.00 0.00 N ATOM 576 CA GLY A 41 7.999 2.551 -12.303 1.00 0.00 C ATOM 577 C GLY A 41 8.227 2.059 -13.734 1.00 0.00 C ATOM 578 O GLY A 41 7.703 2.659 -14.672 1.00 0.00 O ATOM 0 H GLY A 41 8.130 0.556 -11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.134 3.214 -12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.859 3.137 -11.979 1.00 0.00 H new ATOM 582 N SER A 42 8.958 0.950 -13.890 1.00 0.00 N ATOM 583 CA SER A 42 9.280 0.257 -15.126 1.00 0.00 C ATOM 584 C SER A 42 8.316 0.481 -16.296 1.00 0.00 C ATOM 585 O SER A 42 8.532 1.398 -17.084 1.00 0.00 O ATOM 586 CB SER A 42 9.498 -1.210 -14.760 1.00 0.00 C ATOM 587 OG SER A 42 10.506 -1.243 -13.758 1.00 0.00 O ATOM 0 H SER A 42 9.370 0.481 -13.083 1.00 0.00 H new ATOM 0 HA SER A 42 10.188 0.690 -15.545 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.574 -1.657 -14.393 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.804 -1.784 -15.634 1.00 0.00 H new ATOM 0 HG SER A 42 11.268 -1.771 -14.077 1.00 0.00 H new ATOM 593 N THR A 43 7.309 -0.372 -16.467 1.00 0.00 N ATOM 594 CA THR A 43 6.422 -0.316 -17.618 1.00 0.00 C ATOM 595 C THR A 43 5.111 -0.981 -17.194 1.00 0.00 C ATOM 596 O THR A 43 4.277 -0.317 -16.582 1.00 0.00 O ATOM 597 CB THR A 43 7.165 -0.860 -18.861 1.00 0.00 C ATOM 598 OG1 THR A 43 6.463 -0.652 -20.067 1.00 0.00 O ATOM 599 CG2 THR A 43 7.652 -2.309 -18.771 1.00 0.00 C ATOM 0 H THR A 43 7.088 -1.120 -15.810 1.00 0.00 H new ATOM 0 HA THR A 43 6.139 0.686 -17.940 1.00 0.00 H new ATOM 0 HB THR A 43 8.067 -0.249 -18.871 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.982 -1.015 -20.815 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.157 -2.581 -19.698 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.346 -2.408 -17.936 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.800 -2.970 -18.615 1.00 0.00 H new ATOM 607 N ASP A 44 4.953 -2.291 -17.359 1.00 0.00 N ATOM 608 CA ASP A 44 3.988 -3.118 -16.683 1.00 0.00 C ATOM 609 C ASP A 44 4.890 -4.175 -16.037 1.00 0.00 C ATOM 610 O ASP A 44 6.105 -4.177 -16.256 1.00 0.00 O ATOM 611 CB ASP A 44 3.139 -3.895 -17.684 1.00 0.00 C ATOM 612 CG ASP A 44 3.887 -4.384 -18.895 1.00 0.00 C ATOM 613 OD1 ASP A 44 4.055 -3.617 -19.861 1.00 0.00 O ATOM 614 OD2 ASP A 44 4.276 -5.566 -18.860 1.00 0.00 O ATOM 0 H ASP A 44 5.533 -2.823 -18.007 1.00 0.00 H new ATOM 0 HA ASP A 44 3.336 -2.538 -16.029 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.696 -4.752 -17.177 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.317 -3.260 -18.013 1.00 0.00 H new ATOM 619 N GLY A 45 4.327 -5.116 -15.293 1.00 0.00 N ATOM 620 CA GLY A 45 4.997 -6.365 -15.019 1.00 0.00 C ATOM 621 C GLY A 45 3.909 -7.342 -14.634 1.00 0.00 C ATOM 622 O GLY A 45 3.483 -8.182 -15.426 1.00 0.00 O ATOM 0 H GLY A 45 3.403 -5.031 -14.869 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.545 -6.715 -15.894 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.723 -6.251 -14.214 1.00 0.00 H new ATOM 626 N LYS A 46 3.445 -7.170 -13.406 1.00 0.00 N ATOM 627 CA LYS A 46 2.415 -7.939 -12.728 1.00 0.00 C ATOM 628 C LYS A 46 1.959 -7.104 -11.528 1.00 0.00 C ATOM 629 O LYS A 46 2.770 -6.352 -10.985 1.00 0.00 O ATOM 630 CB LYS A 46 2.912 -9.334 -12.330 1.00 0.00 C ATOM 631 CG LYS A 46 4.439 -9.482 -12.344 1.00 0.00 C ATOM 632 CD LYS A 46 4.924 -10.791 -11.715 1.00 0.00 C ATOM 633 CE LYS A 46 4.839 -12.011 -12.647 1.00 0.00 C ATOM 634 NZ LYS A 46 3.453 -12.392 -12.964 1.00 0.00 N ATOM 0 H LYS A 46 3.810 -6.427 -12.810 1.00 0.00 H new ATOM 0 HA LYS A 46 1.570 -8.128 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.544 -9.568 -11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.480 -10.069 -13.009 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.793 -9.428 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.884 -8.643 -11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.958 -10.665 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.335 -10.991 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.372 -11.793 -13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.345 -12.856 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.384 -13.428 -13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.819 -12.050 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.175 -11.968 -13.872 1.00 0.00 H new ATOM 648 N GLN A 47 0.680 -7.179 -11.155 1.00 0.00 N ATOM 649 CA GLN A 47 0.088 -6.308 -10.151 1.00 0.00 C ATOM 650 C GLN A 47 0.776 -6.420 -8.789 1.00 0.00 C ATOM 651 O GLN A 47 1.544 -7.353 -8.540 1.00 0.00 O ATOM 652 CB GLN A 47 -1.427 -6.562 -10.044 1.00 0.00 C ATOM 653 CG GLN A 47 -1.775 -8.010 -9.685 1.00 0.00 C ATOM 654 CD GLN A 47 -1.884 -8.905 -10.907 1.00 0.00 C ATOM 655 OE1 GLN A 47 -2.713 -8.656 -11.780 1.00 0.00 O ATOM 656 NE2 GLN A 47 -1.028 -9.913 -11.001 1.00 0.00 N ATOM 0 H GLN A 47 0.024 -7.854 -11.548 1.00 0.00 H new ATOM 0 HA GLN A 47 0.244 -5.281 -10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.847 -5.897 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.899 -6.307 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.013 -8.408 -9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.719 -8.029 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.357 -10.083 -10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.041 -10.518 -11.822 1.00 0.00 H new ATOM 665 N GLY A 48 0.505 -5.446 -7.925 1.00 0.00 N ATOM 666 CA GLY A 48 0.881 -5.456 -6.527 1.00 0.00 C ATOM 667 C GLY A 48 -0.386 -5.293 -5.705 1.00 0.00 C ATOM 668 O GLY A 48 -1.203 -4.407 -5.983 1.00 0.00 O ATOM 0 H GLY A 48 -0.000 -4.602 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.384 -6.389 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.581 -4.648 -6.314 1.00 0.00 H new ATOM 672 N CYS A 49 -0.562 -6.121 -4.683 1.00 0.00 N ATOM 673 CA CYS A 49 -1.742 -6.135 -3.859 1.00 0.00 C ATOM 674 C CYS A 49 -1.260 -6.166 -2.431 1.00 0.00 C ATOM 675 O CYS A 49 -0.240 -6.768 -2.082 1.00 0.00 O ATOM 676 CB CYS A 49 -2.595 -7.377 -4.071 1.00 0.00 C ATOM 677 SG CYS A 49 -3.450 -7.630 -5.639 1.00 0.00 S ATOM 0 H CYS A 49 0.134 -6.814 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.351 -5.265 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.952 -8.242 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.350 -7.389 -3.285 1.00 0.00 H new ATOM 682 N ALA A 50 -2.073 -5.562 -1.592 1.00 0.00 N ATOM 683 CA ALA A 50 -1.788 -5.379 -0.189 1.00 0.00 C ATOM 684 C ALA A 50 -3.109 -5.220 0.531 1.00 0.00 C ATOM 685 O ALA A 50 -4.031 -4.595 0.008 1.00 0.00 O ATOM 686 CB ALA A 50 -0.900 -4.150 0.006 1.00 0.00 C ATOM 0 H ALA A 50 -2.973 -5.175 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.251 -6.237 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.689 -4.018 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.036 -4.288 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.413 -3.267 -0.374 1.00 0.00 H new ATOM 692 N THR A 51 -3.201 -5.818 1.710 1.00 0.00 N ATOM 693 CA THR A 51 -4.276 -5.534 2.635 1.00 0.00 C ATOM 694 C THR A 51 -3.830 -4.331 3.456 1.00 0.00 C ATOM 695 O THR A 51 -2.807 -4.395 4.136 1.00 0.00 O ATOM 696 CB THR A 51 -4.587 -6.771 3.481 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.840 -7.864 2.620 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.834 -6.539 4.339 1.00 0.00 C ATOM 0 H THR A 51 -2.532 -6.511 2.047 1.00 0.00 H new ATOM 0 HA THR A 51 -5.210 -5.293 2.128 1.00 0.00 H new ATOM 0 HB THR A 51 -3.735 -6.973 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.039 -8.662 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.038 -7.430 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.666 -5.691 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.687 -6.331 3.693 1.00 0.00 H new ATOM 706 N ILE A 52 -4.562 -3.229 3.346 1.00 0.00 N ATOM 707 CA ILE A 52 -4.321 -2.008 4.087 1.00 0.00 C ATOM 708 C ILE A 52 -5.305 -2.010 5.257 1.00 0.00 C ATOM 709 O ILE A 52 -6.399 -2.571 5.125 1.00 0.00 O ATOM 710 CB ILE A 52 -4.547 -0.785 3.177 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.073 -0.976 1.724 1.00 0.00 C ATOM 712 CG2 ILE A 52 -3.908 0.470 3.781 1.00 0.00 C ATOM 713 CD1 ILE A 52 -2.586 -1.284 1.557 1.00 0.00 C ATOM 0 H ILE A 52 -5.363 -3.164 2.718 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.294 -1.954 4.448 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.629 -0.663 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.648 -1.786 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.305 -0.072 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.081 1.320 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.352 0.671 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.836 0.313 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.355 -1.400 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.996 -0.465 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.344 -2.207 2.085 1.00 0.00 H new ATOM 725 N TRP A 53 -4.928 -1.404 6.383 1.00 0.00 N ATOM 726 CA TRP A 53 -5.711 -1.340 7.605 1.00 0.00 C ATOM 727 C TRP A 53 -5.804 0.090 8.154 1.00 0.00 C ATOM 728 O TRP A 53 -4.971 0.956 7.857 1.00 0.00 O ATOM 729 CB TRP A 53 -5.065 -2.223 8.682 1.00 0.00 C ATOM 730 CG TRP A 53 -5.449 -3.670 8.719 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.495 -4.189 9.398 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.808 -4.797 8.061 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.517 -5.559 9.247 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.501 -5.990 8.421 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.723 -4.925 7.174 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -5.120 -7.252 7.943 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.342 -6.182 6.677 1.00 0.00 C ATOM 738 CH2 TRP A 53 -4.035 -7.344 7.058 1.00 0.00 C ATOM 0 H TRP A 53 -4.031 -0.926 6.466 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.715 -1.689 7.362 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.984 -2.166 8.558 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.297 -1.789 9.655 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.207 -3.616 9.973 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.198 -6.175 9.690 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.176 -4.044 6.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.653 -8.139 8.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.508 -6.257 5.995 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.733 -8.306 6.670 1.00 0.00 H new ATOM 749 N GLU A 54 -6.815 0.284 9.003 1.00 0.00 N ATOM 750 CA GLU A 54 -7.172 1.517 9.665 1.00 0.00 C ATOM 751 C GLU A 54 -6.450 1.658 11.003 1.00 0.00 C ATOM 752 O GLU A 54 -6.137 2.759 11.438 1.00 0.00 O ATOM 753 CB GLU A 54 -8.677 1.404 9.898 1.00 0.00 C ATOM 754 CG GLU A 54 -9.328 2.538 10.684 1.00 0.00 C ATOM 755 CD GLU A 54 -10.755 2.157 11.000 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.916 1.060 11.583 1.00 0.00 O ATOM 757 OE2 GLU A 54 -11.643 2.977 10.698 1.00 0.00 O ATOM 0 H GLU A 54 -7.444 -0.478 9.257 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.895 2.388 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.169 1.334 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.872 0.469 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.775 2.725 11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.304 3.461 10.105 1.00 0.00 H new ATOM 764 N GLY A 55 -6.238 0.561 11.717 1.00 0.00 N ATOM 765 CA GLY A 55 -5.576 0.605 13.005 1.00 0.00 C ATOM 766 C GLY A 55 -4.106 0.923 12.809 1.00 0.00 C ATOM 767 O GLY A 55 -3.487 0.435 11.865 1.00 0.00 O ATOM 0 H GLY A 55 -6.518 -0.374 11.420 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.041 1.360 13.639 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.687 -0.352 13.515 1.00 0.00 H new ATOM 771 N SER A 56 -3.510 1.679 13.723 1.00 0.00 N ATOM 772 CA SER A 56 -2.074 1.913 13.736 1.00 0.00 C ATOM 773 C SER A 56 -1.381 0.668 14.292 1.00 0.00 C ATOM 774 O SER A 56 -0.824 0.684 15.389 1.00 0.00 O ATOM 775 CB SER A 56 -1.782 3.168 14.569 1.00 0.00 C ATOM 776 OG SER A 56 -2.788 4.135 14.330 1.00 0.00 O ATOM 0 H SER A 56 -4.012 2.148 14.477 1.00 0.00 H new ATOM 0 HA SER A 56 -1.689 2.089 12.731 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.749 2.915 15.629 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.804 3.572 14.308 1.00 0.00 H new ATOM 0 HG SER A 56 -2.604 4.937 14.863 1.00 0.00 H new ATOM 782 N GLY A 57 -1.496 -0.449 13.585 1.00 0.00 N ATOM 783 CA GLY A 57 -1.020 -1.739 14.041 1.00 0.00 C ATOM 784 C GLY A 57 -1.680 -2.879 13.276 1.00 0.00 C ATOM 785 O GLY A 57 -1.889 -3.951 13.838 1.00 0.00 O ATOM 0 H GLY A 57 -1.931 -0.479 12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.061 -1.794 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.224 -1.848 15.106 1.00 0.00 H new ATOM 789 N CYS A 58 -1.979 -2.664 11.992 1.00 0.00 N ATOM 790 CA CYS A 58 -2.603 -3.628 11.094 1.00 0.00 C ATOM 791 C CYS A 58 -3.783 -4.353 11.751 1.00 0.00 C ATOM 792 O CYS A 58 -3.972 -5.560 11.589 1.00 0.00 O ATOM 793 CB CYS A 58 -1.570 -4.528 10.383 1.00 0.00 C ATOM 794 SG CYS A 58 -0.496 -5.573 11.398 1.00 0.00 S ATOM 0 H CYS A 58 -1.783 -1.774 11.534 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.062 -3.074 10.275 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.113 -5.178 9.696 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.931 -3.886 9.777 1.00 0.00 H new ATOM 799 N VAL A 59 -4.607 -3.594 12.480 1.00 0.00 N ATOM 800 CA VAL A 59 -5.855 -4.007 13.087 1.00 0.00 C ATOM 801 C VAL A 59 -6.939 -3.039 12.623 1.00 0.00 C ATOM 802 O VAL A 59 -6.634 -2.091 11.904 1.00 0.00 O ATOM 803 CB VAL A 59 -5.702 -4.043 14.611 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.866 -5.263 15.005 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.126 -2.762 15.230 1.00 0.00 C ATOM 0 H VAL A 59 -4.397 -2.614 12.668 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.137 -5.015 12.782 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.709 -4.118 15.021 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.754 -5.293 16.089 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.365 -6.171 14.666 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.882 -5.195 14.541 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.054 -2.881 16.311 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.134 -2.574 14.819 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.780 -1.921 15.000 1.00 0.00 H new ATOM 815 N GLY A 60 -8.195 -3.260 12.994 1.00 0.00 N ATOM 816 CA GLY A 60 -9.259 -2.326 12.671 1.00 0.00 C ATOM 817 C GLY A 60 -9.784 -2.597 11.269 1.00 0.00 C ATOM 818 O GLY A 60 -9.680 -3.718 10.761 1.00 0.00 O ATOM 0 H GLY A 60 -8.498 -4.080 13.519 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.068 -2.420 13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.888 -1.303 12.738 1.00 0.00 H new ATOM 822 N ARG A 61 -10.391 -1.593 10.650 1.00 0.00 N ATOM 823 CA ARG A 61 -11.010 -1.769 9.354 1.00 0.00 C ATOM 824 C ARG A 61 -9.926 -1.980 8.327 1.00 0.00 C ATOM 825 O ARG A 61 -8.781 -1.601 8.558 1.00 0.00 O ATOM 826 CB ARG A 61 -11.951 -0.597 9.053 1.00 0.00 C ATOM 827 CG ARG A 61 -12.801 -0.929 7.830 1.00 0.00 C ATOM 828 CD ARG A 61 -14.029 -0.033 7.700 1.00 0.00 C ATOM 829 NE ARG A 61 -14.734 -0.437 6.477 1.00 0.00 N ATOM 830 CZ ARG A 61 -15.995 -0.868 6.372 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.894 -0.568 7.315 1.00 0.00 N ATOM 832 NH2 ARG A 61 -16.326 -1.592 5.303 1.00 0.00 N ATOM 0 H ARG A 61 -10.465 -0.649 11.030 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.643 -2.656 9.332 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.592 -0.401 9.913 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.374 0.310 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.190 -0.833 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.121 -1.969 7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.677 -0.139 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.736 1.016 7.647 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.201 -0.383 5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.619 -0.007 8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.854 -0.900 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.625 -1.803 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.281 -1.935 5.195 1.00 0.00 H new ATOM 846 N SER A 62 -10.248 -2.678 7.242 1.00 0.00 N ATOM 847 CA SER A 62 -9.261 -2.945 6.228 1.00 0.00 C ATOM 848 C SER A 62 -9.876 -3.054 4.842 1.00 0.00 C ATOM 849 O SER A 62 -11.098 -3.124 4.697 1.00 0.00 O ATOM 850 CB SER A 62 -8.424 -4.177 6.607 1.00 0.00 C ATOM 851 OG SER A 62 -9.106 -5.017 7.528 1.00 0.00 O ATOM 0 H SER A 62 -11.175 -3.060 7.053 1.00 0.00 H new ATOM 0 HA SER A 62 -8.585 -2.092 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.184 -4.744 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.478 -3.854 7.042 1.00 0.00 H new ATOM 0 HG SER A 62 -8.522 -5.208 8.291 1.00 0.00 H new ATOM 857 N THR A 63 -9.017 -3.068 3.827 1.00 0.00 N ATOM 858 CA THR A 63 -9.417 -3.343 2.451 1.00 0.00 C ATOM 859 C THR A 63 -8.193 -3.889 1.710 1.00 0.00 C ATOM 860 O THR A 63 -7.068 -3.537 2.062 1.00 0.00 O ATOM 861 CB THR A 63 -10.035 -2.066 1.829 1.00 0.00 C ATOM 862 OG1 THR A 63 -11.112 -2.358 0.958 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.026 -1.168 1.107 1.00 0.00 C ATOM 0 H THR A 63 -8.019 -2.888 3.937 1.00 0.00 H new ATOM 0 HA THR A 63 -10.197 -4.102 2.384 1.00 0.00 H new ATOM 0 HB THR A 63 -10.407 -1.509 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.471 -1.523 0.591 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.540 -0.297 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.260 -0.842 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.559 -1.725 0.295 1.00 0.00 H new ATOM 871 N THR A 64 -8.384 -4.750 0.711 1.00 0.00 N ATOM 872 CA THR A 64 -7.319 -5.174 -0.182 1.00 0.00 C ATOM 873 C THR A 64 -7.215 -4.163 -1.323 1.00 0.00 C ATOM 874 O THR A 64 -8.085 -4.121 -2.195 1.00 0.00 O ATOM 875 CB THR A 64 -7.555 -6.614 -0.672 1.00 0.00 C ATOM 876 OG1 THR A 64 -8.924 -6.981 -0.610 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.736 -7.594 0.168 1.00 0.00 C ATOM 0 H THR A 64 -9.289 -5.172 0.502 1.00 0.00 H new ATOM 0 HA THR A 64 -6.364 -5.195 0.344 1.00 0.00 H new ATOM 0 HB THR A 64 -7.239 -6.655 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.031 -7.901 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.910 -8.610 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.677 -7.354 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.037 -7.518 1.213 1.00 0.00 H new ATOM 885 N MET A 65 -6.176 -3.333 -1.311 1.00 0.00 N ATOM 886 CA MET A 65 -5.926 -2.328 -2.330 1.00 0.00 C ATOM 887 C MET A 65 -5.038 -2.949 -3.408 1.00 0.00 C ATOM 888 O MET A 65 -3.819 -2.789 -3.377 1.00 0.00 O ATOM 889 CB MET A 65 -5.276 -1.111 -1.658 1.00 0.00 C ATOM 890 CG MET A 65 -4.993 0.034 -2.642 1.00 0.00 C ATOM 891 SD MET A 65 -5.702 1.646 -2.219 1.00 0.00 S ATOM 892 CE MET A 65 -7.455 1.284 -2.409 1.00 0.00 C ATOM 0 H MET A 65 -5.471 -3.344 -0.574 1.00 0.00 H new ATOM 0 HA MET A 65 -6.845 -1.991 -2.809 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.929 -0.748 -0.864 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.342 -1.418 -1.187 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.913 0.148 -2.733 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.367 -0.258 -3.624 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.037 2.177 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.653 0.970 -3.434 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.738 0.485 -1.724 1.00 0.00 H new ATOM 902 N CYS A 66 -5.626 -3.663 -4.367 1.00 0.00 N ATOM 903 CA CYS A 66 -4.860 -4.192 -5.494 1.00 0.00 C ATOM 904 C CYS A 66 -4.738 -3.104 -6.546 1.00 0.00 C ATOM 905 O CYS A 66 -5.704 -2.375 -6.794 1.00 0.00 O ATOM 906 CB CYS A 66 -5.523 -5.396 -6.155 1.00 0.00 C ATOM 907 SG CYS A 66 -5.411 -6.981 -5.302 1.00 0.00 S ATOM 0 H CYS A 66 -6.621 -3.887 -4.387 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.893 -4.510 -5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.579 -5.164 -6.296 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.088 -5.517 -7.147 1.00 0.00 H new ATOM 912 N CYS A 67 -3.563 -2.991 -7.154 1.00 0.00 N ATOM 913 CA CYS A 67 -3.259 -2.046 -8.233 1.00 0.00 C ATOM 914 C CYS A 67 -2.276 -2.694 -9.218 1.00 0.00 C ATOM 915 O CYS A 67 -1.414 -3.446 -8.762 1.00 0.00 O ATOM 916 CB CYS A 67 -2.646 -0.794 -7.600 1.00 0.00 C ATOM 917 SG CYS A 67 -2.501 0.639 -8.697 1.00 0.00 S ATOM 0 H CYS A 67 -2.764 -3.574 -6.904 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.161 -1.777 -8.782 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.250 -0.511 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.654 -1.045 -7.226 1.00 0.00 H new ATOM 922 N PRO A 68 -2.384 -2.481 -10.544 1.00 0.00 N ATOM 923 CA PRO A 68 -1.451 -3.068 -11.499 1.00 0.00 C ATOM 924 C PRO A 68 -0.038 -2.532 -11.297 1.00 0.00 C ATOM 925 O PRO A 68 0.208 -1.678 -10.450 1.00 0.00 O ATOM 926 CB PRO A 68 -1.988 -2.757 -12.894 1.00 0.00 C ATOM 927 CG PRO A 68 -2.966 -1.605 -12.692 1.00 0.00 C ATOM 928 CD PRO A 68 -3.388 -1.682 -11.227 1.00 0.00 C ATOM 0 HA PRO A 68 -1.378 -4.146 -11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.183 -2.477 -13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.484 -3.625 -13.328 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.496 -0.647 -12.915 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.827 -1.700 -13.354 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.452 -0.685 -10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.374 -2.136 -11.132 1.00 0.00 H new ATOM 936 N ALA A 69 0.900 -3.048 -12.083 1.00 0.00 N ATOM 937 CA ALA A 69 2.311 -2.754 -11.907 1.00 0.00 C ATOM 938 C ALA A 69 2.613 -1.342 -12.372 1.00 0.00 C ATOM 939 O ALA A 69 2.017 -0.852 -13.327 1.00 0.00 O ATOM 940 CB ALA A 69 3.152 -3.685 -12.774 1.00 0.00 C ATOM 0 H ALA A 69 0.701 -3.681 -12.858 1.00 0.00 H new ATOM 0 HA ALA A 69 2.546 -2.879 -10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.209 -3.456 -12.635 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.964 -4.719 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.886 -3.546 -13.822 1.00 0.00 H new ATOM 946 N ASN A 70 3.602 -0.721 -11.736 1.00 0.00 N ATOM 947 CA ASN A 70 4.174 0.557 -12.128 1.00 0.00 C ATOM 948 C ASN A 70 3.068 1.584 -12.335 1.00 0.00 C ATOM 949 O ASN A 70 3.123 2.389 -13.261 1.00 0.00 O ATOM 950 CB ASN A 70 5.017 0.403 -13.399 1.00 0.00 C ATOM 951 CG ASN A 70 5.974 -0.782 -13.348 1.00 0.00 C ATOM 952 OD1 ASN A 70 6.925 -0.805 -12.577 1.00 0.00 O ATOM 953 ND2 ASN A 70 5.747 -1.789 -14.180 1.00 0.00 N ATOM 0 H ASN A 70 4.041 -1.111 -10.902 1.00 0.00 H new ATOM 0 HA ASN A 70 4.828 0.908 -11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.353 0.288 -14.255 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.589 1.317 -13.560 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.369 -2.598 -14.184 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.951 -1.755 -14.816 1.00 0.00 H new ATOM 960 N THR A 71 2.055 1.533 -11.480 1.00 0.00 N ATOM 961 CA THR A 71 0.873 2.360 -11.545 1.00 0.00 C ATOM 962 C THR A 71 0.894 3.227 -10.289 1.00 0.00 C ATOM 963 O THR A 71 1.272 2.767 -9.211 1.00 0.00 O ATOM 964 CB THR A 71 -0.354 1.441 -11.648 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.275 0.688 -12.845 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.671 2.214 -11.686 1.00 0.00 C ATOM 0 H THR A 71 2.041 0.885 -10.692 1.00 0.00 H new ATOM 0 HA THR A 71 0.836 3.015 -12.415 1.00 0.00 H new ATOM 0 HB THR A 71 -0.345 0.808 -10.761 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.533 0.133 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.502 1.513 -11.759 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.773 2.804 -10.775 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.679 2.877 -12.551 1.00 0.00 H new ATOM 974 N CYS A 72 0.571 4.507 -10.447 1.00 0.00 N ATOM 975 CA CYS A 72 0.440 5.456 -9.350 1.00 0.00 C ATOM 976 C CYS A 72 -1.043 5.584 -8.996 1.00 0.00 C ATOM 977 O CYS A 72 -1.844 6.034 -9.820 1.00 0.00 O ATOM 978 CB CYS A 72 0.998 6.797 -9.808 1.00 0.00 C ATOM 979 SG CYS A 72 0.350 8.221 -8.932 1.00 0.00 S ATOM 0 H CYS A 72 0.389 4.921 -11.361 1.00 0.00 H new ATOM 0 HA CYS A 72 0.989 5.121 -8.470 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.082 6.781 -9.695 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.790 6.917 -10.871 1.00 0.00 H new ATOM 984 N CYS A 73 -1.410 5.143 -7.798 1.00 0.00 N ATOM 985 CA CYS A 73 -2.760 4.829 -7.361 1.00 0.00 C ATOM 986 C CYS A 73 -3.068 5.691 -6.139 1.00 0.00 C ATOM 987 O CYS A 73 -2.522 5.445 -5.068 1.00 0.00 O ATOM 988 CB CYS A 73 -2.894 3.311 -7.068 1.00 0.00 C ATOM 989 SG CYS A 73 -1.576 2.178 -7.617 1.00 0.00 S ATOM 0 H CYS A 73 -0.724 4.986 -7.059 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.487 5.053 -8.142 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.999 3.193 -5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.827 2.971 -7.518 1.00 0.00 H new ATOM 994 N ASN A 74 -3.898 6.729 -6.281 1.00 0.00 N ATOM 995 CA ASN A 74 -4.333 7.527 -5.137 1.00 0.00 C ATOM 996 C ASN A 74 -5.159 6.688 -4.184 1.00 0.00 C ATOM 997 O ASN A 74 -6.044 5.930 -4.584 1.00 0.00 O ATOM 998 CB ASN A 74 -5.169 8.730 -5.568 1.00 0.00 C ATOM 999 CG ASN A 74 -5.566 9.557 -4.351 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -4.820 10.408 -3.894 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -6.732 9.315 -3.775 1.00 0.00 N ATOM 0 H ASN A 74 -4.280 7.034 -7.176 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.429 7.882 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.601 9.346 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.062 8.392 -6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.010 9.840 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.353 8.603 -4.160 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.867 6.855 -2.908 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.466 6.157 -1.808 1.00 0.00 C ATOM 1010 C ILE A 75 -6.475 7.134 -1.202 1.00 0.00 C ATOM 1011 O ILE A 75 -6.098 8.210 -0.737 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.340 5.787 -0.832 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.064 5.242 -1.500 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.850 4.809 0.230 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -3.263 4.068 -2.447 1.00 0.00 C ATOM 0 H ILE A 75 -4.161 7.525 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.978 5.235 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.043 6.725 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.590 6.054 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.368 4.940 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.038 4.558 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.665 5.270 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.211 3.901 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.300 3.766 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.703 3.232 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.929 4.363 -3.258 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.762 6.801 -1.216 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.772 7.579 -0.507 1.00 0.00 C ATOM 1029 C ASN A 76 -9.867 6.629 -0.063 1.00 0.00 C ATOM 1030 O ASN A 76 -10.999 6.678 -0.548 1.00 0.00 O ATOM 1031 CB ASN A 76 -9.303 8.729 -1.371 1.00 0.00 C ATOM 1032 CG ASN A 76 -10.078 9.738 -0.531 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.580 10.829 -0.258 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -11.284 9.403 -0.095 1.00 0.00 N ATOM 0 H ASN A 76 -8.132 5.992 -1.714 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.335 8.055 0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.471 9.228 -1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.949 8.331 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.818 10.055 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.678 8.493 -0.333 1.00 0.00 H new ATOM 1041 N THR A 77 -9.512 5.722 0.836 1.00 0.00 N ATOM 1042 CA THR A 77 -10.419 4.723 1.357 1.00 0.00 C ATOM 1043 C THR A 77 -11.396 5.386 2.328 1.00 0.00 C ATOM 1044 O THR A 77 -11.146 6.489 2.819 1.00 0.00 O ATOM 1045 CB THR A 77 -9.567 3.655 2.051 1.00 0.00 C ATOM 1046 OG1 THR A 77 -8.550 4.302 2.787 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.873 2.769 1.011 1.00 0.00 C ATOM 0 H THR A 77 -8.571 5.663 1.226 1.00 0.00 H new ATOM 0 HA THR A 77 -11.009 4.259 0.567 1.00 0.00 H new ATOM 0 HB THR A 77 -10.212 3.052 2.689 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.922 4.649 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.271 2.015 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.624 2.278 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.229 3.383 0.381 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.513 4.714 2.609 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.498 5.196 3.564 1.00 0.00 C ATOM 1057 C GLY A 78 -12.840 5.492 4.910 1.00 0.00 C ATOM 1058 O GLY A 78 -12.976 6.589 5.450 1.00 0.00 O ATOM 0 H GLY A 78 -12.756 3.822 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.974 6.098 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.283 4.451 3.693 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.114 4.514 5.448 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.343 4.688 6.669 1.00 0.00 C ATOM 1064 C PHE A 79 -10.027 5.375 6.375 1.00 0.00 C ATOM 1065 O PHE A 79 -9.522 5.347 5.250 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.097 3.346 7.367 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.496 2.274 6.473 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -11.324 1.471 5.669 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -9.098 2.151 6.374 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -10.758 0.543 4.780 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -8.530 1.210 5.500 1.00 0.00 C ATOM 1072 CZ PHE A 79 -9.360 0.417 4.691 1.00 0.00 C ATOM 0 H PHE A 79 -12.046 3.579 5.046 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.925 5.318 7.342 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.433 3.508 8.216 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.042 2.980 7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.398 1.568 5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.459 2.783 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.396 -0.074 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.457 1.096 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.925 -0.290 4.000 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.489 5.985 7.427 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.195 6.615 7.369 1.00 0.00 C ATOM 1084 C TYR A 80 -7.138 5.518 7.408 1.00 0.00 C ATOM 1085 O TYR A 80 -7.248 4.599 8.211 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.024 7.592 8.531 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.650 8.230 8.575 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.211 9.020 7.500 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -5.765 7.928 9.624 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.908 9.541 7.496 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -4.450 8.421 9.599 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.021 9.232 8.536 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.779 9.790 8.569 1.00 0.00 O ATOM 0 H TYR A 80 -9.945 6.051 8.337 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.092 7.191 6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.779 8.374 8.454 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.204 7.067 9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.877 9.227 6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.096 7.316 10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.588 10.183 6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.767 8.176 10.399 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.296 9.468 9.359 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.132 5.596 6.545 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.192 4.516 6.314 1.00 0.00 C ATOM 1105 C ILE A 81 -3.994 4.695 7.239 1.00 0.00 C ATOM 1106 O ILE A 81 -3.477 5.808 7.339 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.773 4.448 4.839 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.744 5.831 4.164 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.709 3.482 4.105 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.109 6.260 3.611 1.00 0.00 C ATOM 0 H ILE A 81 -5.947 6.425 5.980 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.671 3.563 6.541 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.749 4.078 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.401 6.573 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.018 5.817 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.422 3.425 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.637 2.492 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.735 3.841 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.021 7.243 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.444 5.537 2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.833 6.305 4.424 1.00 0.00 H new ATOM 1122 N ARG A 82 -3.560 3.637 7.925 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.517 3.731 8.949 1.00 0.00 C ATOM 1124 C ARG A 82 -1.474 2.629 8.869 1.00 0.00 C ATOM 1125 O ARG A 82 -0.346 2.825 9.326 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.165 3.711 10.329 1.00 0.00 C ATOM 1127 CG ARG A 82 -3.576 5.130 10.710 1.00 0.00 C ATOM 1128 CD ARG A 82 -4.612 5.111 11.831 1.00 0.00 C ATOM 1129 NE ARG A 82 -4.520 6.284 12.702 1.00 0.00 N ATOM 1130 CZ ARG A 82 -5.447 6.604 13.611 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -6.557 5.871 13.725 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -5.250 7.660 14.392 1.00 0.00 N ATOM 0 H ARG A 82 -3.920 2.693 7.788 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.991 4.668 8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.036 3.056 10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.468 3.311 11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.699 5.694 11.028 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.985 5.641 9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.611 5.063 11.397 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.480 4.209 12.428 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.705 6.890 12.611 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.700 5.064 13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.262 6.118 14.419 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.400 8.215 14.294 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.949 7.916 15.090 1.00 0.00 H new ATOM 1146 N SER A 83 -1.827 1.458 8.357 1.00 0.00 N ATOM 1147 CA SER A 83 -0.847 0.385 8.214 1.00 0.00 C ATOM 1148 C SER A 83 -1.218 -0.555 7.067 1.00 0.00 C ATOM 1149 O SER A 83 -2.306 -0.420 6.512 1.00 0.00 O ATOM 1150 CB SER A 83 -0.691 -0.331 9.559 1.00 0.00 C ATOM 1151 OG SER A 83 -1.950 -0.716 10.065 1.00 0.00 O ATOM 0 H SER A 83 -2.768 1.227 8.038 1.00 0.00 H new ATOM 0 HA SER A 83 0.124 0.801 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.057 -1.210 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.192 0.326 10.271 1.00 0.00 H new ATOM 0 HG SER A 83 -2.357 0.039 10.540 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.340 -1.493 6.698 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.643 -2.478 5.659 1.00 0.00 C ATOM 1159 C TYR A 84 0.211 -3.728 5.821 1.00 0.00 C ATOM 1160 O TYR A 84 1.189 -3.708 6.570 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.432 -1.868 4.260 1.00 0.00 C ATOM 1162 CG TYR A 84 0.930 -1.241 4.016 1.00 0.00 C ATOM 1163 CD1 TYR A 84 2.116 -1.984 4.173 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.019 0.136 3.740 1.00 0.00 C ATOM 1165 CE1 TYR A 84 3.333 -1.316 4.368 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.274 0.766 3.732 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.413 0.067 4.154 1.00 0.00 C ATOM 1168 OH TYR A 84 4.589 0.718 4.356 1.00 0.00 O ATOM 0 H TYR A 84 0.590 -1.590 7.106 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.689 -2.765 5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.592 -2.648 3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.196 -1.109 4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.088 -3.063 4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.125 0.706 3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.208 -1.866 4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.362 1.790 3.400 1.00 0.00 H new ATOM 0 HH TYR A 84 4.433 1.685 4.350 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.123 -4.770 5.058 1.00 0.00 N ATOM 1179 CA ARG A 85 0.729 -5.887 4.704 1.00 0.00 C ATOM 1180 C ARG A 85 0.486 -6.265 3.242 1.00 0.00 C ATOM 1181 O ARG A 85 -0.634 -6.160 2.747 1.00 0.00 O ATOM 1182 CB ARG A 85 0.378 -7.065 5.605 1.00 0.00 C ATOM 1183 CG ARG A 85 1.413 -7.201 6.703 1.00 0.00 C ATOM 1184 CD ARG A 85 0.784 -7.859 7.930 1.00 0.00 C ATOM 1185 NE ARG A 85 1.794 -8.220 8.933 1.00 0.00 N ATOM 1186 CZ ARG A 85 1.586 -8.915 10.060 1.00 0.00 C ATOM 1187 NH1 ARG A 85 0.344 -9.213 10.428 1.00 0.00 N ATOM 1188 NH2 ARG A 85 2.620 -9.306 10.801 1.00 0.00 N ATOM 0 H ARG A 85 -1.054 -4.854 4.650 1.00 0.00 H new ATOM 0 HA ARG A 85 1.778 -5.620 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.610 -6.919 6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.335 -7.983 5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.254 -7.798 6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.807 -6.220 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.057 -7.179 8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.240 -8.752 7.624 1.00 0.00 H new ATOM 0 HE ARG A 85 2.749 -7.911 8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.444 -8.913 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.179 -9.742 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.571 -9.077 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.462 -9.835 11.659 1.00 0.00 H new ATOM 1202 N ARG A 86 1.530 -6.732 2.557 1.00 0.00 N ATOM 1203 CA ARG A 86 1.442 -7.225 1.185 1.00 0.00 C ATOM 1204 C ARG A 86 0.546 -8.461 1.114 1.00 0.00 C ATOM 1205 O ARG A 86 0.334 -9.114 2.142 1.00 0.00 O ATOM 1206 CB ARG A 86 2.850 -7.630 0.713 1.00 0.00 C ATOM 1207 CG ARG A 86 3.801 -6.444 0.515 1.00 0.00 C ATOM 1208 CD ARG A 86 3.576 -5.823 -0.867 1.00 0.00 C ATOM 1209 NE ARG A 86 4.039 -6.697 -1.966 1.00 0.00 N ATOM 1210 CZ ARG A 86 5.310 -6.844 -2.369 1.00 0.00 C ATOM 1211 NH1 ARG A 86 6.309 -6.185 -1.792 1.00 0.00 N ATOM 1212 NH2 ARG A 86 5.613 -7.677 -3.354 1.00 0.00 N ATOM 0 H ARG A 86 2.472 -6.779 2.946 1.00 0.00 H new ATOM 0 HA ARG A 86 1.025 -6.438 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.284 -8.314 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.765 -8.176 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.632 -5.697 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.835 -6.775 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.515 -5.612 -0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.100 -4.869 -0.922 1.00 0.00 H new ATOM 0 HE ARG A 86 3.329 -7.236 -2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.120 -5.546 -1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.265 -6.318 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.877 -8.213 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.582 -7.782 -3.653 1.00 0.00 H new ATOM 1226 N VAL A 87 0.091 -8.833 -0.086 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.377 -10.199 -0.331 1.00 0.00 C ATOM 1228 C VAL A 87 0.298 -10.781 -1.578 1.00 0.00 C ATOM 1229 O VAL A 87 0.676 -11.954 -1.573 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.913 -10.306 -0.328 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.492 -10.024 1.064 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.580 -9.374 -1.337 1.00 0.00 C ATOM 0 H VAL A 87 0.037 -8.214 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.069 -10.826 0.505 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.131 -11.333 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.578 -10.108 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.094 -10.746 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.216 -9.017 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.662 -9.497 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.321 -8.341 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.234 -9.618 -2.342 1.00 0.00 H new ATOM 1242 N GLU A 88 0.532 -9.960 -2.604 1.00 0.00 N ATOM 1243 CA GLU A 88 1.458 -10.295 -3.666 1.00 0.00 C ATOM 1244 C GLU A 88 2.074 -8.969 -4.086 1.00 0.00 C ATOM 1245 CB GLU A 88 0.732 -10.945 -4.853 1.00 0.00 C ATOM 1246 CG GLU A 88 1.331 -12.313 -5.164 1.00 0.00 C ATOM 1247 CD GLU A 88 0.976 -12.834 -6.536 1.00 0.00 C ATOM 1248 OE1 GLU A 88 0.357 -12.092 -7.328 1.00 0.00 O ATOM 1249 OE2 GLU A 88 1.370 -13.982 -6.821 1.00 0.00 O ATOM 0 H GLU A 88 0.083 -9.051 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 88 2.206 -11.014 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.329 -11.050 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.807 -10.301 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.416 -12.253 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.991 -13.028 -4.415 1.00 0.00 H new TER 1256 GLU A 88