USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 861 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 55 HIS : no HD1:sc= -0.0114 X(o=-3.2,f=-3.5) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -156:sc= -3.23! (180deg=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0124 (180deg=-0.319) USER MOD Single : A 2 ASN : amide:sc= -3.31 K(o=-3.3,f=-7.2!) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00497 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 55:sc= -1.65 USER MOD Single : A 20 ASN : amide:sc= -0.225 K(o=-0.22,f=-0.95) USER MOD Single : A 25 THR OG1 : rot 2:sc= 0.922 USER MOD Single : A 26 THR OG1 : rot -107:sc= 1.01 USER MOD Single : A 27 ASN : amide:sc= -4.04! C(o=-4!,f=-3.1!) USER MOD Single : A 28 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.4!) USER MOD Single : A 30 MET CE :methyl -142:sc= -0.373 (180deg=-1.54!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -110:sc=-0.000607 USER MOD Single : A 54 SER OG : rot 110:sc= 0.779 USER MOD Single : A 56 TYR OH : rot -104:sc= 1.51 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0746) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -40:sc= -0.139 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 108:sc= -2.95! USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0.13 (180deg=0.0523) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.56! C(o=-8.6!,f=-3.4!) USER MOD Single : A 95 MET CE :methyl 165:sc= -1.41 (180deg=-1.8) USER MOD Single : A 98 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-5.4!) USER MOD Single : A 103 HIS : no HD1:sc= -2.85! K(o=-2.9!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.117 -0.258 -18.333 1.00 0.00 N ATOM 2 CA MET A 1 -22.421 -0.315 -16.876 1.00 0.00 C ATOM 3 C MET A 1 -21.116 -0.299 -16.088 1.00 0.00 C ATOM 4 O MET A 1 -20.829 0.653 -15.361 1.00 0.00 O ATOM 5 CB MET A 1 -23.200 -1.596 -16.571 1.00 0.00 C ATOM 6 CG MET A 1 -24.598 -1.499 -17.185 1.00 0.00 C ATOM 7 SD MET A 1 -25.528 -3.005 -16.807 1.00 0.00 S ATOM 8 CE MET A 1 -26.951 -2.665 -17.872 1.00 0.00 C ATOM 0 H1 MET A 1 -22.968 0.035 -18.854 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.354 0.428 -18.502 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.816 -1.198 -18.662 1.00 0.00 H new ATOM 0 HA MET A 1 -23.023 0.547 -16.590 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.673 -2.460 -16.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.273 -1.742 -15.493 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.120 -0.627 -16.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.524 -1.365 -18.264 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.668 -3.483 -17.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.426 -1.735 -17.559 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.618 -2.572 -18.906 1.00 0.00 H new ATOM 20 N ASN A 2 -20.320 -1.351 -16.262 1.00 0.00 N ATOM 21 CA ASN A 2 -19.025 -1.462 -15.593 1.00 0.00 C ATOM 22 C ASN A 2 -18.510 -2.902 -15.733 1.00 0.00 C ATOM 23 O ASN A 2 -19.271 -3.802 -16.088 1.00 0.00 O ATOM 24 CB ASN A 2 -19.138 -1.059 -14.090 1.00 0.00 C ATOM 25 CG ASN A 2 -18.461 0.287 -13.823 1.00 0.00 C ATOM 26 OD1 ASN A 2 -18.004 0.538 -12.708 1.00 0.00 O ATOM 27 ND2 ASN A 2 -18.375 1.174 -14.776 1.00 0.00 N ATOM 0 H ASN A 2 -20.550 -2.142 -16.863 1.00 0.00 H new ATOM 0 HA ASN A 2 -18.319 -0.778 -16.063 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -20.188 -1.003 -13.804 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -18.679 -1.829 -13.469 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -17.930 2.074 -14.596 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -18.753 0.968 -15.701 1.00 0.00 H new ATOM 34 N PRO A 3 -17.245 -3.137 -15.468 1.00 0.00 N ATOM 35 CA PRO A 3 -16.638 -4.504 -15.575 1.00 0.00 C ATOM 36 C PRO A 3 -17.494 -5.592 -14.929 1.00 0.00 C ATOM 37 O PRO A 3 -18.513 -5.308 -14.300 1.00 0.00 O ATOM 38 CB PRO A 3 -15.296 -4.346 -14.863 1.00 0.00 C ATOM 39 CG PRO A 3 -14.931 -2.924 -15.099 1.00 0.00 C ATOM 40 CD PRO A 3 -16.239 -2.142 -15.040 1.00 0.00 C ATOM 0 HA PRO A 3 -16.545 -4.831 -16.611 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.380 -4.565 -13.799 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.546 -5.024 -15.270 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.230 -2.570 -14.343 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.445 -2.801 -16.067 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.442 -1.771 -14.035 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.221 -1.276 -15.702 1.00 0.00 H new ATOM 48 N SER A 4 -17.074 -6.845 -15.110 1.00 0.00 N ATOM 49 CA SER A 4 -17.802 -7.992 -14.565 1.00 0.00 C ATOM 50 C SER A 4 -17.389 -8.312 -13.124 1.00 0.00 C ATOM 51 O SER A 4 -18.247 -8.612 -12.296 1.00 0.00 O ATOM 52 CB SER A 4 -17.577 -9.222 -15.465 1.00 0.00 C ATOM 53 OG SER A 4 -16.904 -10.239 -14.732 1.00 0.00 O ATOM 0 H SER A 4 -16.232 -7.092 -15.631 1.00 0.00 H new ATOM 0 HA SER A 4 -18.861 -7.733 -14.546 1.00 0.00 H new ATOM 0 HB2 SER A 4 -18.533 -9.597 -15.830 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.989 -8.942 -16.339 1.00 0.00 H new ATOM 0 HG SER A 4 -16.765 -11.020 -15.308 1.00 0.00 H new ATOM 59 N PRO A 5 -16.119 -8.274 -12.794 1.00 0.00 N ATOM 60 CA PRO A 5 -15.671 -8.592 -11.407 1.00 0.00 C ATOM 61 C PRO A 5 -16.541 -7.895 -10.376 1.00 0.00 C ATOM 62 O PRO A 5 -17.251 -8.533 -9.607 1.00 0.00 O ATOM 63 CB PRO A 5 -14.244 -8.039 -11.367 1.00 0.00 C ATOM 64 CG PRO A 5 -13.755 -8.139 -12.777 1.00 0.00 C ATOM 65 CD PRO A 5 -14.981 -7.926 -13.671 1.00 0.00 C ATOM 0 HA PRO A 5 -15.732 -9.655 -11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.229 -7.007 -11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.615 -8.616 -10.689 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.991 -7.388 -12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.302 -9.112 -12.964 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.046 -6.896 -14.022 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.947 -8.563 -14.555 1.00 0.00 H new ATOM 73 N ARG A 6 -16.462 -6.575 -10.409 1.00 0.00 N ATOM 74 CA ARG A 6 -17.204 -5.700 -9.532 1.00 0.00 C ATOM 75 C ARG A 6 -17.135 -4.302 -10.121 1.00 0.00 C ATOM 76 O ARG A 6 -18.146 -3.713 -10.500 1.00 0.00 O ATOM 77 CB ARG A 6 -16.579 -5.726 -8.117 1.00 0.00 C ATOM 78 CG ARG A 6 -17.407 -6.621 -7.185 1.00 0.00 C ATOM 79 CD ARG A 6 -16.539 -7.136 -6.034 1.00 0.00 C ATOM 80 NE ARG A 6 -15.619 -8.159 -6.519 1.00 0.00 N ATOM 81 CZ ARG A 6 -14.869 -8.860 -5.676 1.00 0.00 C ATOM 82 NH1 ARG A 6 -14.974 -8.659 -4.390 1.00 0.00 N ATOM 83 NH2 ARG A 6 -14.035 -9.753 -6.132 1.00 0.00 N ATOM 0 H ARG A 6 -15.863 -6.075 -11.066 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.242 -6.021 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.555 -6.095 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.532 -4.714 -7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.253 -6.060 -6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.816 -7.462 -7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.979 -6.311 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.171 -7.548 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.551 -8.339 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.631 -7.965 -4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.399 -9.196 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.958 -9.913 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.459 -10.291 -5.484 1.00 0.00 H new ATOM 97 N LYS A 7 -15.911 -3.813 -10.227 1.00 0.00 N ATOM 98 CA LYS A 7 -15.645 -2.525 -10.805 1.00 0.00 C ATOM 99 C LYS A 7 -14.150 -2.257 -10.806 1.00 0.00 C ATOM 100 O LYS A 7 -13.519 -2.170 -9.760 1.00 0.00 O ATOM 101 CB LYS A 7 -16.368 -1.397 -10.065 1.00 0.00 C ATOM 102 CG LYS A 7 -15.899 -0.076 -10.669 1.00 0.00 C ATOM 103 CD LYS A 7 -16.696 1.096 -10.128 1.00 0.00 C ATOM 104 CE LYS A 7 -16.191 2.367 -10.812 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.654 3.564 -10.054 1.00 0.00 N ATOM 0 H LYS A 7 -15.077 -4.307 -9.911 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.022 -2.544 -11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.448 -1.503 -10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.143 -1.432 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.841 0.070 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.998 -0.115 -11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.759 0.956 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.576 1.172 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.102 2.356 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.558 2.410 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.309 4.426 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.694 3.577 -10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.283 3.525 -9.083 1.00 0.00 H new ATOM 119 N ARG A 8 -13.602 -2.121 -11.996 1.00 0.00 N ATOM 120 CA ARG A 8 -12.184 -1.848 -12.155 1.00 0.00 C ATOM 121 C ARG A 8 -11.925 -0.356 -12.269 1.00 0.00 C ATOM 122 O ARG A 8 -12.485 0.319 -13.132 1.00 0.00 O ATOM 123 CB ARG A 8 -11.627 -2.563 -13.399 1.00 0.00 C ATOM 124 CG ARG A 8 -10.113 -2.337 -13.500 1.00 0.00 C ATOM 125 CD ARG A 8 -9.562 -3.118 -14.695 1.00 0.00 C ATOM 126 NE ARG A 8 -9.710 -4.552 -14.473 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.453 -5.427 -15.439 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.053 -5.008 -16.609 1.00 0.00 N ATOM 129 NH2 ARG A 8 -9.603 -6.705 -15.220 1.00 0.00 N ATOM 0 H ARG A 8 -14.118 -2.195 -12.873 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.676 -2.226 -11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.841 -3.630 -13.341 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.120 -2.187 -14.296 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.900 -1.274 -13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.623 -2.662 -12.582 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.090 -2.827 -15.603 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.511 -2.873 -14.845 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.016 -4.889 -13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.938 -4.009 -16.781 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.856 -5.679 -17.351 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.918 -7.032 -14.307 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.406 -7.376 -15.962 1.00 0.00 H new ATOM 143 N VAL A 9 -11.062 0.155 -11.387 1.00 0.00 N ATOM 144 CA VAL A 9 -10.721 1.586 -11.394 1.00 0.00 C ATOM 145 C VAL A 9 -9.285 1.781 -11.848 1.00 0.00 C ATOM 146 O VAL A 9 -8.371 1.123 -11.353 1.00 0.00 O ATOM 147 CB VAL A 9 -10.846 2.180 -9.983 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.030 3.706 -10.037 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.034 1.550 -9.254 1.00 0.00 C ATOM 0 H VAL A 9 -10.590 -0.390 -10.666 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.411 2.085 -12.075 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.925 1.961 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.116 4.098 -9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.170 4.159 -10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.935 3.944 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.115 1.977 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.950 1.751 -9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.884 0.473 -9.178 1.00 0.00 H new ATOM 159 N ALA A 10 -9.089 2.711 -12.759 1.00 0.00 N ATOM 160 CA ALA A 10 -7.755 3.021 -13.248 1.00 0.00 C ATOM 161 C ALA A 10 -7.175 4.164 -12.415 1.00 0.00 C ATOM 162 O ALA A 10 -7.270 5.329 -12.804 1.00 0.00 O ATOM 163 CB ALA A 10 -7.823 3.443 -14.718 1.00 0.00 C ATOM 0 H ALA A 10 -9.834 3.267 -13.178 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.121 2.139 -13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.820 3.674 -15.077 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.243 2.630 -15.311 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.455 4.326 -14.814 1.00 0.00 H new ATOM 169 N LEU A 11 -6.601 3.838 -11.250 1.00 0.00 N ATOM 170 CA LEU A 11 -6.047 4.879 -10.366 1.00 0.00 C ATOM 171 C LEU A 11 -4.531 5.010 -10.553 1.00 0.00 C ATOM 172 O LEU A 11 -3.781 4.076 -10.278 1.00 0.00 O ATOM 173 CB LEU A 11 -6.362 4.513 -8.903 1.00 0.00 C ATOM 174 CG LEU A 11 -6.385 5.781 -8.014 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.695 5.427 -6.539 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.025 6.487 -8.085 1.00 0.00 C ATOM 0 H LEU A 11 -6.507 2.884 -10.900 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.502 5.836 -10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.326 4.007 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.614 3.814 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.170 6.439 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.704 6.338 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.670 4.943 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.930 4.751 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.045 7.379 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.246 5.812 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.817 6.773 -9.116 1.00 0.00 H new ATOM 188 N PHE A 12 -4.089 6.180 -11.022 1.00 0.00 N ATOM 189 CA PHE A 12 -2.667 6.428 -11.242 1.00 0.00 C ATOM 190 C PHE A 12 -2.089 7.172 -10.044 1.00 0.00 C ATOM 191 O PHE A 12 -2.339 8.362 -9.864 1.00 0.00 O ATOM 192 CB PHE A 12 -2.472 7.295 -12.490 1.00 0.00 C ATOM 193 CG PHE A 12 -3.419 6.840 -13.574 1.00 0.00 C ATOM 194 CD1 PHE A 12 -4.719 7.359 -13.622 1.00 0.00 C ATOM 195 CD2 PHE A 12 -3.005 5.903 -14.527 1.00 0.00 C ATOM 196 CE1 PHE A 12 -5.603 6.943 -14.623 1.00 0.00 C ATOM 197 CE2 PHE A 12 -3.889 5.486 -15.530 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.189 6.008 -15.578 1.00 0.00 C ATOM 0 H PHE A 12 -4.695 6.966 -11.255 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.161 5.471 -11.374 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.654 8.343 -12.250 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.442 7.222 -12.839 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.039 8.081 -12.885 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.003 5.501 -14.489 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.605 7.344 -14.659 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.569 4.763 -16.266 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.871 5.689 -16.352 1.00 0.00 H new ATOM 208 N THR A 13 -1.313 6.480 -9.241 1.00 0.00 N ATOM 209 CA THR A 13 -0.706 7.111 -8.075 1.00 0.00 C ATOM 210 C THR A 13 0.237 8.216 -8.556 1.00 0.00 C ATOM 211 O THR A 13 1.439 8.004 -8.712 1.00 0.00 O ATOM 212 CB THR A 13 0.056 6.054 -7.231 1.00 0.00 C ATOM 213 OG1 THR A 13 0.054 4.820 -7.928 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.622 5.856 -5.868 1.00 0.00 C ATOM 0 H THR A 13 -1.085 5.493 -9.365 1.00 0.00 H new ATOM 0 HA THR A 13 -1.476 7.547 -7.439 1.00 0.00 H new ATOM 0 HB THR A 13 1.076 6.402 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.427 4.950 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.072 5.111 -5.293 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.630 6.801 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.646 5.515 -6.017 1.00 0.00 H new ATOM 222 N ASP A 14 -0.333 9.394 -8.809 1.00 0.00 N ATOM 223 CA ASP A 14 0.438 10.539 -9.299 1.00 0.00 C ATOM 224 C ASP A 14 0.455 11.661 -8.260 1.00 0.00 C ATOM 225 O ASP A 14 0.103 12.800 -8.562 1.00 0.00 O ATOM 226 CB ASP A 14 -0.188 11.049 -10.602 1.00 0.00 C ATOM 227 CG ASP A 14 -1.530 11.716 -10.315 1.00 0.00 C ATOM 228 OD1 ASP A 14 -2.180 11.307 -9.366 1.00 0.00 O ATOM 229 OD2 ASP A 14 -1.889 12.622 -11.048 1.00 0.00 O ATOM 0 H ASP A 14 -1.328 9.582 -8.683 1.00 0.00 H new ATOM 0 HA ASP A 14 1.465 10.222 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.484 11.759 -11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.326 10.220 -11.296 1.00 0.00 H new ATOM 234 N GLY A 15 0.856 11.316 -7.037 1.00 0.00 N ATOM 235 CA GLY A 15 0.916 12.280 -5.933 1.00 0.00 C ATOM 236 C GLY A 15 1.251 13.685 -6.428 1.00 0.00 C ATOM 237 O GLY A 15 0.362 14.439 -6.819 1.00 0.00 O ATOM 0 H GLY A 15 1.146 10.372 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.041 12.296 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.667 11.960 -5.211 1.00 0.00 H new ATOM 241 N ALA A 16 2.538 14.020 -6.420 1.00 0.00 N ATOM 242 CA ALA A 16 2.976 15.333 -6.884 1.00 0.00 C ATOM 243 C ALA A 16 4.499 15.427 -6.858 1.00 0.00 C ATOM 244 O ALA A 16 5.128 15.731 -7.871 1.00 0.00 O ATOM 245 CB ALA A 16 2.383 16.432 -6.002 1.00 0.00 C ATOM 0 H ALA A 16 3.289 13.408 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 16 2.628 15.467 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.718 17.406 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.295 16.385 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.713 16.290 -4.973 1.00 0.00 H new ATOM 251 N ALA A 17 5.081 15.167 -5.689 1.00 0.00 N ATOM 252 CA ALA A 17 6.531 15.225 -5.526 1.00 0.00 C ATOM 253 C ALA A 17 6.999 16.674 -5.416 1.00 0.00 C ATOM 254 O ALA A 17 7.417 17.287 -6.399 1.00 0.00 O ATOM 255 CB ALA A 17 7.226 14.525 -6.705 1.00 0.00 C ATOM 0 H ALA A 17 4.571 14.915 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 17 6.798 14.707 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.307 14.575 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.913 13.482 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.952 15.021 -7.636 1.00 0.00 H new ATOM 261 N LEU A 18 6.916 17.208 -4.207 1.00 0.00 N ATOM 262 CA LEU A 18 7.315 18.584 -3.942 1.00 0.00 C ATOM 263 C LEU A 18 7.170 18.895 -2.464 1.00 0.00 C ATOM 264 O LEU A 18 7.179 20.057 -2.061 1.00 0.00 O ATOM 265 CB LEU A 18 6.451 19.559 -4.759 1.00 0.00 C ATOM 266 CG LEU A 18 4.937 19.304 -4.506 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.413 20.138 -3.322 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.136 19.694 -5.754 1.00 0.00 C ATOM 0 H LEU A 18 6.574 16.706 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 18 8.358 18.702 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.701 20.585 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.671 19.445 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 18 4.815 18.245 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.352 19.934 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.962 19.873 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.553 21.198 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.076 19.515 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.294 20.750 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.468 19.094 -6.602 1.00 0.00 H new ATOM 280 N GLY A 19 7.000 17.854 -1.664 1.00 0.00 N ATOM 281 CA GLY A 19 6.810 18.029 -0.242 1.00 0.00 C ATOM 282 C GLY A 19 7.876 18.939 0.322 1.00 0.00 C ATOM 283 O GLY A 19 8.977 19.032 -0.222 1.00 0.00 O ATOM 0 H GLY A 19 6.990 16.884 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.823 18.450 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.846 17.061 0.258 1.00 0.00 H new ATOM 287 N ASN A 20 7.555 19.593 1.429 1.00 0.00 N ATOM 288 CA ASN A 20 8.516 20.478 2.079 1.00 0.00 C ATOM 289 C ASN A 20 9.896 19.795 2.094 1.00 0.00 C ATOM 290 O ASN A 20 10.888 20.395 1.683 1.00 0.00 O ATOM 291 CB ASN A 20 8.033 20.834 3.511 1.00 0.00 C ATOM 292 CG ASN A 20 7.757 22.332 3.644 1.00 0.00 C ATOM 293 OD1 ASN A 20 7.341 22.979 2.685 1.00 0.00 O ATOM 294 ND2 ASN A 20 7.961 22.922 4.789 1.00 0.00 N ATOM 0 H ASN A 20 6.649 19.531 1.893 1.00 0.00 H new ATOM 0 HA ASN A 20 8.600 21.413 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.128 20.273 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.788 20.535 4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.775 23.920 4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.306 22.385 5.585 1.00 0.00 H new ATOM 301 N PRO A 21 9.964 18.540 2.495 1.00 0.00 N ATOM 302 CA PRO A 21 11.237 17.760 2.485 1.00 0.00 C ATOM 303 C PRO A 21 11.745 17.632 1.059 1.00 0.00 C ATOM 304 O PRO A 21 12.902 17.926 0.754 1.00 0.00 O ATOM 305 CB PRO A 21 10.823 16.378 3.037 1.00 0.00 C ATOM 306 CG PRO A 21 9.575 16.641 3.799 1.00 0.00 C ATOM 307 CD PRO A 21 8.859 17.718 3.000 1.00 0.00 C ATOM 0 HA PRO A 21 12.034 18.223 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.653 15.663 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.598 15.958 3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.966 15.741 3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.793 16.978 4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.268 17.293 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.177 18.297 3.623 1.00 0.00 H new ATOM 315 N GLY A 22 10.837 17.180 0.196 1.00 0.00 N ATOM 316 CA GLY A 22 11.126 16.980 -1.211 1.00 0.00 C ATOM 317 C GLY A 22 10.738 15.558 -1.640 1.00 0.00 C ATOM 318 O GLY A 22 10.420 14.720 -0.799 1.00 0.00 O ATOM 0 H GLY A 22 9.880 16.944 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.579 17.709 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.187 17.147 -1.398 1.00 0.00 H new ATOM 322 N PRO A 23 10.792 15.264 -2.921 1.00 0.00 N ATOM 323 CA PRO A 23 10.472 13.900 -3.464 1.00 0.00 C ATOM 324 C PRO A 23 11.270 12.795 -2.780 1.00 0.00 C ATOM 325 O PRO A 23 11.006 11.610 -2.974 1.00 0.00 O ATOM 326 CB PRO A 23 10.906 14.014 -4.925 1.00 0.00 C ATOM 327 CG PRO A 23 10.739 15.441 -5.265 1.00 0.00 C ATOM 328 CD PRO A 23 11.152 16.193 -4.008 1.00 0.00 C ATOM 0 HA PRO A 23 9.425 13.636 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.940 13.696 -5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.295 13.381 -5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.361 15.720 -6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.708 15.664 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.218 16.419 -4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.625 17.143 -3.916 1.00 0.00 H new ATOM 336 N GLY A 24 12.276 13.220 -2.037 1.00 0.00 N ATOM 337 CA GLY A 24 13.189 12.315 -1.335 1.00 0.00 C ATOM 338 C GLY A 24 12.505 11.052 -0.796 1.00 0.00 C ATOM 339 O GLY A 24 13.185 10.087 -0.469 1.00 0.00 O ATOM 0 H GLY A 24 12.490 14.208 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.991 12.023 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.652 12.850 -0.506 1.00 0.00 H new ATOM 343 N THR A 25 11.173 11.065 -0.748 1.00 0.00 N ATOM 344 CA THR A 25 10.371 9.920 -0.293 1.00 0.00 C ATOM 345 C THR A 25 8.954 10.363 0.087 1.00 0.00 C ATOM 346 O THR A 25 8.121 9.535 0.463 1.00 0.00 O ATOM 347 CB THR A 25 11.010 9.216 0.913 1.00 0.00 C ATOM 348 OG1 THR A 25 10.077 8.288 1.449 1.00 0.00 O ATOM 349 CG2 THR A 25 11.393 10.230 2.013 1.00 0.00 C ATOM 0 H THR A 25 10.614 11.872 -1.024 1.00 0.00 H new ATOM 0 HA THR A 25 10.328 9.218 -1.126 1.00 0.00 H new ATOM 0 HB THR A 25 11.915 8.709 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.260 8.296 0.908 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.843 9.702 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.107 10.949 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.500 10.755 2.351 1.00 0.00 H new ATOM 357 N THR A 26 8.673 11.662 -0.024 1.00 0.00 N ATOM 358 CA THR A 26 7.359 12.172 0.291 1.00 0.00 C ATOM 359 C THR A 26 6.375 11.812 -0.803 1.00 0.00 C ATOM 360 O THR A 26 5.219 11.528 -0.539 1.00 0.00 O ATOM 361 CB THR A 26 7.409 13.681 0.465 1.00 0.00 C ATOM 362 OG1 THR A 26 8.055 14.264 -0.658 1.00 0.00 O ATOM 363 CG2 THR A 26 8.180 14.019 1.738 1.00 0.00 C ATOM 0 H THR A 26 9.342 12.369 -0.329 1.00 0.00 H new ATOM 0 HA THR A 26 7.028 11.717 1.225 1.00 0.00 H new ATOM 0 HB THR A 26 6.396 14.076 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.950 14.568 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.217 15.101 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.680 13.570 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.195 13.628 1.664 1.00 0.00 H new ATOM 371 N ASN A 27 6.852 11.812 -2.029 1.00 0.00 N ATOM 372 CA ASN A 27 6.011 11.476 -3.162 1.00 0.00 C ATOM 373 C ASN A 27 5.475 10.073 -2.988 1.00 0.00 C ATOM 374 O ASN A 27 4.300 9.797 -3.216 1.00 0.00 O ATOM 375 CB ASN A 27 6.827 11.528 -4.448 1.00 0.00 C ATOM 376 CG ASN A 27 5.908 11.394 -5.657 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.375 11.391 -6.796 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.621 11.276 -5.477 1.00 0.00 N ATOM 0 H ASN A 27 7.817 12.040 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 27 5.190 12.191 -3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.377 12.468 -4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.565 10.726 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.000 11.181 -6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.236 11.279 -4.533 1.00 0.00 H new ATOM 385 N ASN A 28 6.364 9.200 -2.564 1.00 0.00 N ATOM 386 CA ASN A 28 6.017 7.810 -2.336 1.00 0.00 C ATOM 387 C ASN A 28 4.991 7.712 -1.216 1.00 0.00 C ATOM 388 O ASN A 28 4.013 6.971 -1.316 1.00 0.00 O ATOM 389 CB ASN A 28 7.272 7.033 -1.961 1.00 0.00 C ATOM 390 CG ASN A 28 8.316 7.175 -3.064 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.519 6.250 -3.851 1.00 0.00 O ATOM 392 ND2 ASN A 28 8.989 8.289 -3.173 1.00 0.00 N ATOM 0 H ASN A 28 7.339 9.429 -2.369 1.00 0.00 H new ATOM 0 HA ASN A 28 5.588 7.387 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.673 7.405 -1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.029 5.981 -1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.685 8.394 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.819 9.054 -2.520 1.00 0.00 H new ATOM 399 N ARG A 29 5.207 8.492 -0.162 1.00 0.00 N ATOM 400 CA ARG A 29 4.294 8.524 0.953 1.00 0.00 C ATOM 401 C ARG A 29 3.000 9.201 0.512 1.00 0.00 C ATOM 402 O ARG A 29 1.910 8.799 0.911 1.00 0.00 O ATOM 403 CB ARG A 29 4.981 9.248 2.120 1.00 0.00 C ATOM 404 CG ARG A 29 3.990 9.687 3.191 1.00 0.00 C ATOM 405 CD ARG A 29 4.700 10.608 4.200 1.00 0.00 C ATOM 406 NE ARG A 29 4.225 10.324 5.539 1.00 0.00 N ATOM 407 CZ ARG A 29 3.218 11.003 6.096 1.00 0.00 C ATOM 408 NH1 ARG A 29 2.615 11.949 5.431 1.00 0.00 N ATOM 409 NH2 ARG A 29 2.832 10.711 7.309 1.00 0.00 N ATOM 0 H ARG A 29 6.013 9.110 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 29 4.033 7.522 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.726 8.589 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.513 10.120 1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.151 10.210 2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.581 8.816 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.778 10.459 4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.510 11.652 3.950 1.00 0.00 H new ATOM 0 HE ARG A 29 4.674 9.581 6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.912 12.173 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.847 12.464 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.299 9.967 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.064 11.227 7.738 1.00 0.00 H new ATOM 423 N MET A 30 3.130 10.230 -0.322 1.00 0.00 N ATOM 424 CA MET A 30 1.964 10.941 -0.821 1.00 0.00 C ATOM 425 C MET A 30 1.139 10.028 -1.712 1.00 0.00 C ATOM 426 O MET A 30 -0.086 9.981 -1.608 1.00 0.00 O ATOM 427 CB MET A 30 2.430 12.163 -1.600 1.00 0.00 C ATOM 428 CG MET A 30 3.095 13.163 -0.637 1.00 0.00 C ATOM 429 SD MET A 30 1.916 14.461 -0.169 1.00 0.00 S ATOM 430 CE MET A 30 1.680 15.200 -1.805 1.00 0.00 C ATOM 0 H MET A 30 4.024 10.585 -0.662 1.00 0.00 H new ATOM 0 HA MET A 30 1.339 11.259 0.014 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.135 11.866 -2.376 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.584 12.632 -2.101 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.446 12.642 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.969 13.609 -1.111 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.597 16.282 -1.707 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.532 14.958 -2.440 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.769 14.805 -2.254 1.00 0.00 H new ATOM 440 N GLU A 31 1.824 9.272 -2.561 1.00 0.00 N ATOM 441 CA GLU A 31 1.138 8.329 -3.426 1.00 0.00 C ATOM 442 C GLU A 31 0.507 7.261 -2.562 1.00 0.00 C ATOM 443 O GLU A 31 -0.569 6.745 -2.863 1.00 0.00 O ATOM 444 CB GLU A 31 2.119 7.692 -4.411 1.00 0.00 C ATOM 445 CG GLU A 31 2.471 8.704 -5.499 1.00 0.00 C ATOM 446 CD GLU A 31 3.515 8.123 -6.445 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.831 6.954 -6.300 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.979 8.853 -7.305 1.00 0.00 O ATOM 0 H GLU A 31 2.838 9.294 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 31 0.372 8.850 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.021 7.374 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.677 6.801 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.575 8.974 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.851 9.619 -5.045 1.00 0.00 H new ATOM 455 N LEU A 32 1.182 6.957 -1.461 1.00 0.00 N ATOM 456 CA LEU A 32 0.686 5.985 -0.529 1.00 0.00 C ATOM 457 C LEU A 32 -0.510 6.586 0.198 1.00 0.00 C ATOM 458 O LEU A 32 -1.511 5.916 0.430 1.00 0.00 O ATOM 459 CB LEU A 32 1.797 5.620 0.465 1.00 0.00 C ATOM 460 CG LEU A 32 1.358 4.430 1.339 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.572 3.103 0.596 1.00 0.00 C ATOM 462 CD2 LEU A 32 2.161 4.387 2.650 1.00 0.00 C ATOM 0 H LEU A 32 2.075 7.377 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 32 0.376 5.077 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.710 5.367 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.027 6.479 1.096 1.00 0.00 H new ATOM 0 HG LEU A 32 0.299 4.564 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.256 2.275 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.984 3.101 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.628 2.989 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.833 3.538 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.222 4.283 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.998 5.310 3.207 1.00 0.00 H new ATOM 474 N LYS A 33 -0.388 7.872 0.534 1.00 0.00 N ATOM 475 CA LYS A 33 -1.453 8.593 1.225 1.00 0.00 C ATOM 476 C LYS A 33 -2.715 8.614 0.375 1.00 0.00 C ATOM 477 O LYS A 33 -3.815 8.348 0.861 1.00 0.00 O ATOM 478 CB LYS A 33 -0.985 10.027 1.508 1.00 0.00 C ATOM 479 CG LYS A 33 -2.053 10.819 2.304 1.00 0.00 C ATOM 480 CD LYS A 33 -2.913 11.680 1.361 1.00 0.00 C ATOM 481 CE LYS A 33 -3.806 12.604 2.190 1.00 0.00 C ATOM 482 NZ LYS A 33 -4.751 13.327 1.289 1.00 0.00 N ATOM 0 H LYS A 33 0.440 8.434 0.337 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.680 8.089 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.052 10.003 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.777 10.537 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.691 10.127 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.565 11.456 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.273 12.268 0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.524 11.041 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.362 12.024 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.195 13.318 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.358 13.955 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.212 13.892 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.343 12.638 0.782 1.00 0.00 H new ATOM 496 N ALA A 34 -2.544 8.923 -0.902 1.00 0.00 N ATOM 497 CA ALA A 34 -3.669 8.968 -1.825 1.00 0.00 C ATOM 498 C ALA A 34 -4.276 7.578 -1.983 1.00 0.00 C ATOM 499 O ALA A 34 -5.469 7.434 -2.251 1.00 0.00 O ATOM 500 CB ALA A 34 -3.204 9.486 -3.186 1.00 0.00 C ATOM 0 H ALA A 34 -1.641 9.145 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.426 9.641 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.050 9.517 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.792 10.489 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.438 8.822 -3.586 1.00 0.00 H new ATOM 506 N ALA A 35 -3.438 6.560 -1.822 1.00 0.00 N ATOM 507 CA ALA A 35 -3.881 5.180 -1.951 1.00 0.00 C ATOM 508 C ALA A 35 -4.771 4.773 -0.783 1.00 0.00 C ATOM 509 O ALA A 35 -5.887 4.293 -0.989 1.00 0.00 O ATOM 510 CB ALA A 35 -2.670 4.247 -2.015 1.00 0.00 C ATOM 0 H ALA A 35 -2.448 6.666 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.460 5.099 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.010 3.216 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.054 4.508 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.082 4.351 -1.103 1.00 0.00 H new ATOM 516 N ILE A 36 -4.289 4.970 0.445 1.00 0.00 N ATOM 517 CA ILE A 36 -5.085 4.604 1.605 1.00 0.00 C ATOM 518 C ILE A 36 -6.422 5.327 1.511 1.00 0.00 C ATOM 519 O ILE A 36 -7.467 4.762 1.825 1.00 0.00 O ATOM 520 CB ILE A 36 -4.327 4.895 2.942 1.00 0.00 C ATOM 521 CG1 ILE A 36 -4.800 6.214 3.605 1.00 0.00 C ATOM 522 CG2 ILE A 36 -2.804 4.987 2.701 1.00 0.00 C ATOM 523 CD1 ILE A 36 -6.204 6.061 4.219 1.00 0.00 C ATOM 0 H ILE A 36 -3.375 5.371 0.654 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.267 3.529 1.611 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.552 4.064 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.092 6.508 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.810 7.013 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.298 5.190 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.443 4.044 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.595 5.792 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.506 7.003 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.915 5.792 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.186 5.279 4.978 1.00 0.00 H new ATOM 535 N GLU A 37 -6.378 6.567 1.036 1.00 0.00 N ATOM 536 CA GLU A 37 -7.595 7.348 0.856 1.00 0.00 C ATOM 537 C GLU A 37 -8.405 6.794 -0.307 1.00 0.00 C ATOM 538 O GLU A 37 -9.636 6.773 -0.265 1.00 0.00 O ATOM 539 CB GLU A 37 -7.259 8.821 0.585 1.00 0.00 C ATOM 540 CG GLU A 37 -6.760 9.490 1.870 1.00 0.00 C ATOM 541 CD GLU A 37 -7.896 9.584 2.884 1.00 0.00 C ATOM 542 OE1 GLU A 37 -9.042 9.528 2.468 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.603 9.711 4.061 1.00 0.00 O ATOM 0 H GLU A 37 -5.519 7.050 0.771 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.180 7.281 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.497 8.892 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.142 9.341 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.933 8.918 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.378 10.486 1.646 1.00 0.00 H new ATOM 550 N GLY A 38 -7.710 6.352 -1.350 1.00 0.00 N ATOM 551 CA GLY A 38 -8.388 5.810 -2.523 1.00 0.00 C ATOM 552 C GLY A 38 -9.025 4.456 -2.228 1.00 0.00 C ATOM 553 O GLY A 38 -9.749 3.913 -3.059 1.00 0.00 O ATOM 0 H GLY A 38 -6.692 6.357 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.155 6.509 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.675 5.707 -3.341 1.00 0.00 H new ATOM 557 N LEU A 39 -8.747 3.907 -1.044 1.00 0.00 N ATOM 558 CA LEU A 39 -9.296 2.611 -0.650 1.00 0.00 C ATOM 559 C LEU A 39 -10.069 2.765 0.655 1.00 0.00 C ATOM 560 O LEU A 39 -10.850 1.904 1.040 1.00 0.00 O ATOM 561 CB LEU A 39 -8.172 1.573 -0.467 1.00 0.00 C ATOM 562 CG LEU A 39 -7.133 1.640 -1.643 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.690 1.535 -1.120 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.360 0.483 -2.627 1.00 0.00 C ATOM 0 H LEU A 39 -8.146 4.340 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.964 2.260 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.663 1.749 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.603 0.573 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.276 2.599 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.995 1.584 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.491 2.358 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.561 0.588 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.632 0.545 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.243 -0.467 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.367 0.549 -3.040 1.00 0.00 H new ATOM 576 N LYS A 40 -9.841 3.869 1.344 1.00 0.00 N ATOM 577 CA LYS A 40 -10.521 4.136 2.598 1.00 0.00 C ATOM 578 C LYS A 40 -11.662 5.114 2.354 1.00 0.00 C ATOM 579 O LYS A 40 -12.657 5.132 3.080 1.00 0.00 O ATOM 580 CB LYS A 40 -9.521 4.754 3.574 1.00 0.00 C ATOM 581 CG LYS A 40 -10.174 5.017 4.946 1.00 0.00 C ATOM 582 CD LYS A 40 -9.520 6.242 5.582 1.00 0.00 C ATOM 583 CE LYS A 40 -10.144 6.509 6.952 1.00 0.00 C ATOM 584 NZ LYS A 40 -9.476 7.682 7.584 1.00 0.00 N ATOM 0 H LYS A 40 -9.188 4.597 1.055 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.922 3.211 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.668 4.087 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.139 5.689 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.245 5.181 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.054 4.148 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.447 6.080 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.650 7.111 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.212 6.699 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.038 5.631 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.901 7.863 8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.462 7.484 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.599 8.519 6.979 1.00 0.00 H new ATOM 598 N ALA A 41 -11.505 5.941 1.331 1.00 0.00 N ATOM 599 CA ALA A 41 -12.526 6.945 1.021 1.00 0.00 C ATOM 600 C ALA A 41 -13.586 6.394 0.083 1.00 0.00 C ATOM 601 O ALA A 41 -14.428 7.135 -0.422 1.00 0.00 O ATOM 602 CB ALA A 41 -11.865 8.181 0.411 1.00 0.00 C ATOM 0 H ALA A 41 -10.697 5.943 0.708 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.024 7.221 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.627 8.926 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.151 8.599 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.345 7.901 -0.505 1.00 0.00 H new ATOM 608 N LEU A 42 -13.536 5.088 -0.151 1.00 0.00 N ATOM 609 CA LEU A 42 -14.494 4.425 -1.043 1.00 0.00 C ATOM 610 C LEU A 42 -15.238 3.305 -0.319 1.00 0.00 C ATOM 611 O LEU A 42 -16.464 3.333 -0.218 1.00 0.00 O ATOM 612 CB LEU A 42 -13.727 3.861 -2.262 1.00 0.00 C ATOM 613 CG LEU A 42 -13.605 4.940 -3.392 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.188 4.936 -3.977 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.606 4.668 -4.534 1.00 0.00 C ATOM 0 H LEU A 42 -12.844 4.463 0.262 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.237 5.151 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.733 3.537 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.243 2.982 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.826 5.909 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.116 5.690 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.469 5.161 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.970 3.954 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.498 5.433 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.407 3.688 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.622 4.691 -4.140 1.00 0.00 H new ATOM 627 N LYS A 43 -14.484 2.313 0.141 1.00 0.00 N ATOM 628 CA LYS A 43 -15.042 1.155 0.827 1.00 0.00 C ATOM 629 C LYS A 43 -15.976 0.419 -0.107 1.00 0.00 C ATOM 630 O LYS A 43 -16.869 -0.314 0.319 1.00 0.00 O ATOM 631 CB LYS A 43 -15.777 1.608 2.095 1.00 0.00 C ATOM 632 CG LYS A 43 -14.749 1.986 3.189 1.00 0.00 C ATOM 633 CD LYS A 43 -15.288 3.137 4.050 1.00 0.00 C ATOM 634 CE LYS A 43 -14.312 3.427 5.189 1.00 0.00 C ATOM 635 NZ LYS A 43 -14.816 4.576 5.994 1.00 0.00 N ATOM 0 H LYS A 43 -13.468 2.290 0.049 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.240 0.477 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.415 2.463 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.428 0.811 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.540 1.120 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.806 2.279 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.424 4.029 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.266 2.875 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.202 2.546 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.325 3.656 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.152 4.774 6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.899 5.416 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.749 4.341 6.389 1.00 0.00 H new ATOM 649 N GLU A 44 -15.747 0.631 -1.397 1.00 0.00 N ATOM 650 CA GLU A 44 -16.544 0.006 -2.440 1.00 0.00 C ATOM 651 C GLU A 44 -15.738 -1.116 -3.107 1.00 0.00 C ATOM 652 O GLU A 44 -14.878 -0.838 -3.943 1.00 0.00 O ATOM 653 CB GLU A 44 -16.915 1.073 -3.487 1.00 0.00 C ATOM 654 CG GLU A 44 -18.213 1.780 -3.080 1.00 0.00 C ATOM 655 CD GLU A 44 -19.395 0.828 -3.235 1.00 0.00 C ATOM 656 OE1 GLU A 44 -19.408 0.084 -4.203 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.267 0.853 -2.384 1.00 0.00 O ATOM 0 H GLU A 44 -15.006 1.239 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.450 -0.420 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.108 1.800 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.036 0.607 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.143 2.121 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.364 2.665 -3.698 1.00 0.00 H new ATOM 664 N PRO A 45 -15.974 -2.363 -2.765 1.00 0.00 N ATOM 665 CA PRO A 45 -15.217 -3.492 -3.372 1.00 0.00 C ATOM 666 C PRO A 45 -15.036 -3.318 -4.874 1.00 0.00 C ATOM 667 O PRO A 45 -15.971 -3.505 -5.651 1.00 0.00 O ATOM 668 CB PRO A 45 -16.069 -4.714 -3.024 1.00 0.00 C ATOM 669 CG PRO A 45 -16.715 -4.358 -1.725 1.00 0.00 C ATOM 670 CD PRO A 45 -16.969 -2.847 -1.784 1.00 0.00 C ATOM 0 HA PRO A 45 -14.198 -3.572 -2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.812 -4.913 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.457 -5.611 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.647 -4.906 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -16.070 -4.613 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -17.987 -2.624 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.831 -2.379 -0.809 1.00 0.00 H new ATOM 678 N ALA A 46 -13.821 -2.928 -5.270 1.00 0.00 N ATOM 679 CA ALA A 46 -13.520 -2.693 -6.686 1.00 0.00 C ATOM 680 C ALA A 46 -12.094 -3.109 -7.044 1.00 0.00 C ATOM 681 O ALA A 46 -11.191 -3.052 -6.208 1.00 0.00 O ATOM 682 CB ALA A 46 -13.750 -1.206 -6.986 1.00 0.00 C ATOM 0 H ALA A 46 -13.037 -2.769 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.181 -3.306 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.532 -1.009 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.788 -0.949 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.094 -0.603 -6.359 1.00 0.00 H new ATOM 688 N GLU A 47 -11.901 -3.525 -8.307 1.00 0.00 N ATOM 689 CA GLU A 47 -10.577 -3.943 -8.778 1.00 0.00 C ATOM 690 C GLU A 47 -9.791 -2.718 -9.218 1.00 0.00 C ATOM 691 O GLU A 47 -9.758 -2.372 -10.381 1.00 0.00 O ATOM 692 CB GLU A 47 -10.707 -4.918 -9.955 1.00 0.00 C ATOM 693 CG GLU A 47 -11.283 -6.252 -9.472 1.00 0.00 C ATOM 694 CD GLU A 47 -11.216 -7.285 -10.591 1.00 0.00 C ATOM 695 OE1 GLU A 47 -11.047 -6.885 -11.733 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.331 -8.461 -10.291 1.00 0.00 O ATOM 0 H GLU A 47 -12.638 -3.579 -9.010 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.056 -4.447 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.353 -4.490 -10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.731 -5.079 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.725 -6.606 -8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.316 -6.117 -9.152 1.00 0.00 H new ATOM 703 N VAL A 48 -9.164 -2.056 -8.278 1.00 0.00 N ATOM 704 CA VAL A 48 -8.418 -0.854 -8.590 1.00 0.00 C ATOM 705 C VAL A 48 -7.059 -1.178 -9.178 1.00 0.00 C ATOM 706 O VAL A 48 -6.157 -1.637 -8.477 1.00 0.00 O ATOM 707 CB VAL A 48 -8.214 -0.037 -7.305 1.00 0.00 C ATOM 708 CG1 VAL A 48 -7.986 1.458 -7.625 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.431 -0.207 -6.367 1.00 0.00 C ATOM 0 H VAL A 48 -9.153 -2.324 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.988 -0.287 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.323 -0.412 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.845 2.011 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.099 1.565 -8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.853 1.853 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.275 0.376 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.332 0.142 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.545 -1.259 -6.107 1.00 0.00 H new ATOM 719 N ASP A 49 -6.906 -0.890 -10.454 1.00 0.00 N ATOM 720 CA ASP A 49 -5.629 -1.107 -11.109 1.00 0.00 C ATOM 721 C ASP A 49 -4.696 0.031 -10.740 1.00 0.00 C ATOM 722 O ASP A 49 -4.347 0.871 -11.568 1.00 0.00 O ATOM 723 CB ASP A 49 -5.795 -1.203 -12.627 1.00 0.00 C ATOM 724 CG ASP A 49 -4.485 -1.654 -13.267 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.442 -1.363 -12.705 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.546 -2.294 -14.305 1.00 0.00 O ATOM 0 H ASP A 49 -7.639 -0.510 -11.053 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.207 -2.054 -10.772 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.590 -1.908 -12.870 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.092 -0.235 -13.031 1.00 0.00 H new ATOM 731 N LEU A 50 -4.321 0.048 -9.466 1.00 0.00 N ATOM 732 CA LEU A 50 -3.452 1.080 -8.935 1.00 0.00 C ATOM 733 C LEU A 50 -2.095 1.049 -9.624 1.00 0.00 C ATOM 734 O LEU A 50 -1.274 0.177 -9.342 1.00 0.00 O ATOM 735 CB LEU A 50 -3.255 0.853 -7.419 1.00 0.00 C ATOM 736 CG LEU A 50 -2.848 2.171 -6.725 1.00 0.00 C ATOM 737 CD1 LEU A 50 -2.966 2.042 -5.195 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.403 2.542 -7.098 1.00 0.00 C ATOM 0 H LEU A 50 -4.611 -0.649 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.915 2.050 -9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.177 0.473 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.488 0.096 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.524 2.956 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.674 2.982 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.997 1.808 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.311 1.244 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.127 3.473 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.729 1.747 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.327 2.669 -8.178 1.00 0.00 H new ATOM 750 N TYR A 51 -1.839 2.019 -10.506 1.00 0.00 N ATOM 751 CA TYR A 51 -0.541 2.073 -11.176 1.00 0.00 C ATOM 752 C TYR A 51 0.409 2.921 -10.330 1.00 0.00 C ATOM 753 O TYR A 51 0.223 4.130 -10.217 1.00 0.00 O ATOM 754 CB TYR A 51 -0.647 2.678 -12.583 1.00 0.00 C ATOM 755 CG TYR A 51 -1.882 2.170 -13.292 1.00 0.00 C ATOM 756 CD1 TYR A 51 -1.821 1.001 -14.061 1.00 0.00 C ATOM 757 CD2 TYR A 51 -3.087 2.871 -13.187 1.00 0.00 C ATOM 758 CE1 TYR A 51 -2.962 0.535 -14.722 1.00 0.00 C ATOM 759 CE2 TYR A 51 -4.224 2.406 -13.848 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.164 1.238 -14.617 1.00 0.00 C ATOM 761 OH TYR A 51 -5.293 0.777 -15.266 1.00 0.00 O ATOM 0 H TYR A 51 -2.493 2.757 -10.766 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.166 1.055 -11.282 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.682 3.765 -12.515 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.241 2.423 -13.162 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.891 0.458 -14.144 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.138 3.772 -12.594 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.914 -0.368 -15.313 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.154 2.949 -13.766 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.043 1.382 -15.088 1.00 0.00 H new ATOM 771 N THR A 52 1.410 2.282 -9.714 1.00 0.00 N ATOM 772 CA THR A 52 2.360 2.996 -8.848 1.00 0.00 C ATOM 773 C THR A 52 3.787 2.881 -9.371 1.00 0.00 C ATOM 774 O THR A 52 4.375 1.805 -9.372 1.00 0.00 O ATOM 775 CB THR A 52 2.296 2.410 -7.433 1.00 0.00 C ATOM 776 OG1 THR A 52 3.490 2.736 -6.735 1.00 0.00 O ATOM 777 CG2 THR A 52 2.142 0.888 -7.506 1.00 0.00 C ATOM 0 H THR A 52 1.584 1.280 -9.797 1.00 0.00 H new ATOM 0 HA THR A 52 2.082 4.050 -8.838 1.00 0.00 H new ATOM 0 HB THR A 52 1.438 2.829 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.025 1.925 -6.605 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.097 0.478 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.224 0.640 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.995 0.461 -8.034 1.00 0.00 H new ATOM 785 N ASP A 53 4.349 4.005 -9.797 1.00 0.00 N ATOM 786 CA ASP A 53 5.719 4.022 -10.308 1.00 0.00 C ATOM 787 C ASP A 53 6.681 4.471 -9.212 1.00 0.00 C ATOM 788 O ASP A 53 7.627 5.215 -9.468 1.00 0.00 O ATOM 789 CB ASP A 53 5.816 4.984 -11.496 1.00 0.00 C ATOM 790 CG ASP A 53 5.636 6.424 -11.022 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.166 6.605 -9.911 1.00 0.00 O ATOM 792 OD2 ASP A 53 5.975 7.320 -11.776 1.00 0.00 O ATOM 0 H ASP A 53 3.883 4.913 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 53 5.988 3.016 -10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.783 4.873 -11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.054 4.739 -12.236 1.00 0.00 H new ATOM 797 N SER A 54 6.433 4.009 -7.986 1.00 0.00 N ATOM 798 CA SER A 54 7.286 4.363 -6.846 1.00 0.00 C ATOM 799 C SER A 54 8.252 3.225 -6.519 1.00 0.00 C ATOM 800 O SER A 54 8.023 2.074 -6.887 1.00 0.00 O ATOM 801 CB SER A 54 6.419 4.684 -5.628 1.00 0.00 C ATOM 802 OG SER A 54 5.912 6.006 -5.754 1.00 0.00 O ATOM 0 H SER A 54 5.654 3.392 -7.755 1.00 0.00 H new ATOM 0 HA SER A 54 7.872 5.243 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.597 3.972 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.006 4.592 -4.714 1.00 0.00 H new ATOM 0 HG SER A 54 4.948 5.972 -5.928 1.00 0.00 H new ATOM 808 N HIS A 55 9.348 3.570 -5.840 1.00 0.00 N ATOM 809 CA HIS A 55 10.373 2.588 -5.479 1.00 0.00 C ATOM 810 C HIS A 55 10.169 2.047 -4.068 1.00 0.00 C ATOM 811 O HIS A 55 11.007 1.309 -3.556 1.00 0.00 O ATOM 812 CB HIS A 55 11.759 3.237 -5.578 1.00 0.00 C ATOM 813 CG HIS A 55 12.146 3.392 -7.023 1.00 0.00 C ATOM 814 ND1 HIS A 55 11.657 4.419 -7.813 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.974 2.657 -7.834 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.189 4.275 -9.041 1.00 0.00 C ATOM 817 NE2 HIS A 55 13.001 3.216 -9.108 1.00 0.00 N ATOM 0 H HIS A 55 9.549 4.521 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 55 10.294 1.752 -6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.751 4.210 -5.088 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.496 2.624 -5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.522 1.778 -7.529 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.984 4.935 -9.871 1.00 0.00 H new ATOM 0 HE2 HIS A 55 13.527 2.888 -9.918 1.00 0.00 H new ATOM 825 N TYR A 56 9.062 2.424 -3.443 1.00 0.00 N ATOM 826 CA TYR A 56 8.755 1.971 -2.078 1.00 0.00 C ATOM 827 C TYR A 56 7.541 1.054 -2.082 1.00 0.00 C ATOM 828 O TYR A 56 7.560 -0.026 -1.493 1.00 0.00 O ATOM 829 CB TYR A 56 8.481 3.193 -1.193 1.00 0.00 C ATOM 830 CG TYR A 56 8.012 2.795 0.208 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.654 1.776 0.944 1.00 0.00 C ATOM 832 CD2 TYR A 56 6.918 3.468 0.781 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.199 1.444 2.227 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.471 3.130 2.061 1.00 0.00 C ATOM 835 CZ TYR A 56 7.109 2.118 2.783 1.00 0.00 C ATOM 836 OH TYR A 56 6.663 1.787 4.048 1.00 0.00 O ATOM 0 H TYR A 56 8.359 3.040 -3.851 1.00 0.00 H new ATOM 0 HA TYR A 56 9.606 1.414 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.387 3.794 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.723 3.819 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.497 1.252 0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.420 4.251 0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.693 0.664 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.630 3.652 2.493 1.00 0.00 H new ATOM 0 HH TYR A 56 5.844 1.254 3.977 1.00 0.00 H new ATOM 846 N LEU A 57 6.489 1.496 -2.755 1.00 0.00 N ATOM 847 CA LEU A 57 5.270 0.721 -2.844 1.00 0.00 C ATOM 848 C LEU A 57 5.549 -0.599 -3.564 1.00 0.00 C ATOM 849 O LEU A 57 5.095 -1.671 -3.147 1.00 0.00 O ATOM 850 CB LEU A 57 4.242 1.524 -3.642 1.00 0.00 C ATOM 851 CG LEU A 57 3.628 2.634 -2.767 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.695 3.696 -2.449 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.462 3.281 -3.523 1.00 0.00 C ATOM 0 H LEU A 57 6.459 2.389 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 57 4.891 0.509 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.717 1.965 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.456 0.862 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 57 3.266 2.205 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.256 4.479 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.523 3.231 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.063 4.132 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.023 4.068 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.827 3.710 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.706 2.526 -3.741 1.00 0.00 H new ATOM 865 N LYS A 58 6.319 -0.499 -4.641 1.00 0.00 N ATOM 866 CA LYS A 58 6.690 -1.661 -5.434 1.00 0.00 C ATOM 867 C LYS A 58 7.642 -2.540 -4.644 1.00 0.00 C ATOM 868 O LYS A 58 7.383 -3.719 -4.418 1.00 0.00 O ATOM 869 CB LYS A 58 7.372 -1.170 -6.712 1.00 0.00 C ATOM 870 CG LYS A 58 7.855 -2.350 -7.562 1.00 0.00 C ATOM 871 CD LYS A 58 8.729 -1.811 -8.685 1.00 0.00 C ATOM 872 CE LYS A 58 9.185 -2.968 -9.575 1.00 0.00 C ATOM 873 NZ LYS A 58 10.122 -2.460 -10.616 1.00 0.00 N ATOM 0 H LYS A 58 6.700 0.382 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 58 5.805 -2.246 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.676 -0.561 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.217 -0.531 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.418 -3.053 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.004 -2.894 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.174 -1.081 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.594 -1.294 -8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.675 -3.732 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.322 -3.439 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.522 -3.262 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.608 -1.836 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.890 -1.927 -10.161 1.00 0.00 H new ATOM 887 N LYS A 59 8.742 -1.938 -4.219 1.00 0.00 N ATOM 888 CA LYS A 59 9.754 -2.635 -3.439 1.00 0.00 C ATOM 889 C LYS A 59 9.114 -3.587 -2.435 1.00 0.00 C ATOM 890 O LYS A 59 9.502 -4.746 -2.331 1.00 0.00 O ATOM 891 CB LYS A 59 10.575 -1.570 -2.702 1.00 0.00 C ATOM 892 CG LYS A 59 11.542 -2.189 -1.677 1.00 0.00 C ATOM 893 CD LYS A 59 12.179 -1.054 -0.827 1.00 0.00 C ATOM 894 CE LYS A 59 11.721 -1.171 0.638 1.00 0.00 C ATOM 895 NZ LYS A 59 12.302 -0.054 1.437 1.00 0.00 N ATOM 0 H LYS A 59 8.958 -0.958 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 59 10.385 -3.233 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.142 -0.985 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.901 -0.881 -2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.009 -2.888 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.319 -2.757 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.266 -1.114 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.892 -0.083 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.633 -1.142 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.035 -2.129 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.991 -0.136 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.340 -0.101 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.981 0.855 1.047 1.00 0.00 H new ATOM 909 N ALA A 60 8.148 -3.085 -1.684 1.00 0.00 N ATOM 910 CA ALA A 60 7.487 -3.902 -0.674 1.00 0.00 C ATOM 911 C ALA A 60 6.666 -5.025 -1.299 1.00 0.00 C ATOM 912 O ALA A 60 6.923 -6.205 -1.060 1.00 0.00 O ATOM 913 CB ALA A 60 6.577 -3.023 0.182 1.00 0.00 C ATOM 0 H ALA A 60 7.805 -2.127 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 60 8.262 -4.357 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.084 -3.636 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.172 -2.253 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.825 -2.552 -0.451 1.00 0.00 H new ATOM 919 N PHE A 61 5.653 -4.648 -2.064 1.00 0.00 N ATOM 920 CA PHE A 61 4.760 -5.615 -2.682 1.00 0.00 C ATOM 921 C PHE A 61 5.532 -6.628 -3.544 1.00 0.00 C ATOM 922 O PHE A 61 5.277 -7.830 -3.469 1.00 0.00 O ATOM 923 CB PHE A 61 3.741 -4.843 -3.546 1.00 0.00 C ATOM 924 CG PHE A 61 2.385 -5.515 -3.477 1.00 0.00 C ATOM 925 CD1 PHE A 61 2.099 -6.641 -4.259 1.00 0.00 C ATOM 926 CD2 PHE A 61 1.417 -5.001 -2.605 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.841 -7.251 -4.169 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.161 -5.613 -2.514 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.128 -6.738 -3.296 1.00 0.00 C ATOM 0 H PHE A 61 5.429 -3.675 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 61 4.250 -6.182 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.663 -3.813 -3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.084 -4.805 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.846 -7.038 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.639 -4.133 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.618 -8.118 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.585 -5.217 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.097 -7.210 -3.226 1.00 0.00 H new ATOM 939 N THR A 62 6.460 -6.141 -4.369 1.00 0.00 N ATOM 940 CA THR A 62 7.235 -7.028 -5.240 1.00 0.00 C ATOM 941 C THR A 62 8.105 -7.988 -4.429 1.00 0.00 C ATOM 942 O THR A 62 8.404 -9.092 -4.884 1.00 0.00 O ATOM 943 CB THR A 62 8.113 -6.215 -6.199 1.00 0.00 C ATOM 944 OG1 THR A 62 8.828 -5.226 -5.473 1.00 0.00 O ATOM 945 CG2 THR A 62 7.234 -5.548 -7.259 1.00 0.00 C ATOM 0 H THR A 62 6.692 -5.151 -4.453 1.00 0.00 H new ATOM 0 HA THR A 62 6.524 -7.617 -5.820 1.00 0.00 H new ATOM 0 HB THR A 62 8.824 -6.880 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.242 -4.831 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.860 -4.971 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.697 -6.313 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.518 -4.885 -6.773 1.00 0.00 H new ATOM 953 N GLU A 63 8.497 -7.579 -3.225 1.00 0.00 N ATOM 954 CA GLU A 63 9.310 -8.442 -2.369 1.00 0.00 C ATOM 955 C GLU A 63 8.422 -9.457 -1.655 1.00 0.00 C ATOM 956 O GLU A 63 8.909 -10.369 -0.985 1.00 0.00 O ATOM 957 CB GLU A 63 10.099 -7.604 -1.356 1.00 0.00 C ATOM 958 CG GLU A 63 11.306 -6.963 -2.051 1.00 0.00 C ATOM 959 CD GLU A 63 12.011 -6.007 -1.097 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.618 -5.959 0.053 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.935 -5.338 -1.533 1.00 0.00 O ATOM 0 H GLU A 63 8.270 -6.669 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 63 10.024 -8.982 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.459 -6.831 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.433 -8.232 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.999 -7.737 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.980 -6.426 -2.942 1.00 0.00 H new ATOM 968 N GLY A 64 7.116 -9.298 -1.832 1.00 0.00 N ATOM 969 CA GLY A 64 6.140 -10.206 -1.239 1.00 0.00 C ATOM 970 C GLY A 64 6.422 -10.495 0.235 1.00 0.00 C ATOM 971 O GLY A 64 5.819 -11.397 0.813 1.00 0.00 O ATOM 0 H GLY A 64 6.706 -8.545 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.143 -9.775 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.138 -11.144 -1.795 1.00 0.00 H new ATOM 975 N TRP A 65 7.325 -9.732 0.850 1.00 0.00 N ATOM 976 CA TRP A 65 7.635 -9.947 2.262 1.00 0.00 C ATOM 977 C TRP A 65 6.592 -9.274 3.142 1.00 0.00 C ATOM 978 O TRP A 65 6.738 -9.195 4.364 1.00 0.00 O ATOM 979 CB TRP A 65 9.063 -9.470 2.605 1.00 0.00 C ATOM 980 CG TRP A 65 9.278 -7.971 2.493 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.336 -6.992 2.352 1.00 0.00 C ATOM 982 CD2 TRP A 65 10.562 -7.272 2.525 1.00 0.00 C ATOM 983 NE1 TRP A 65 8.968 -5.765 2.325 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.332 -5.882 2.419 1.00 0.00 C ATOM 985 CE3 TRP A 65 11.894 -7.711 2.639 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.376 -4.960 2.429 1.00 0.00 C ATOM 987 CZ3 TRP A 65 12.952 -6.786 2.644 1.00 0.00 C ATOM 988 CH2 TRP A 65 12.690 -5.411 2.539 1.00 0.00 C ATOM 0 H TRP A 65 7.844 -8.976 0.404 1.00 0.00 H new ATOM 0 HA TRP A 65 7.603 -11.018 2.460 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.301 -9.782 3.622 1.00 0.00 H new ATOM 0 HB3 TRP A 65 9.768 -9.974 1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.271 -7.152 2.274 1.00 0.00 H new ATOM 0 HE1 TRP A 65 8.478 -4.874 2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 65 12.105 -8.767 2.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.169 -3.903 2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 13.971 -7.134 2.729 1.00 0.00 H new ATOM 0 HH2 TRP A 65 13.506 -4.703 2.543 1.00 0.00 H new ATOM 999 N LEU A 66 5.541 -8.780 2.491 1.00 0.00 N ATOM 1000 CA LEU A 66 4.460 -8.098 3.182 1.00 0.00 C ATOM 1001 C LEU A 66 3.791 -9.075 4.159 1.00 0.00 C ATOM 1002 O LEU A 66 3.405 -8.724 5.275 1.00 0.00 O ATOM 1003 CB LEU A 66 3.448 -7.566 2.144 1.00 0.00 C ATOM 1004 CG LEU A 66 2.716 -6.315 2.684 1.00 0.00 C ATOM 1005 CD1 LEU A 66 1.916 -5.634 1.557 1.00 0.00 C ATOM 1006 CD2 LEU A 66 1.773 -6.697 3.836 1.00 0.00 C ATOM 0 H LEU A 66 5.419 -8.842 1.480 1.00 0.00 H new ATOM 0 HA LEU A 66 4.846 -7.252 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.966 -7.318 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.722 -8.343 1.905 1.00 0.00 H new ATOM 0 HG LEU A 66 3.464 -5.617 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.406 -4.755 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.595 -5.332 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.179 -6.333 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.267 -5.804 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.033 -7.413 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.350 -7.146 4.645 1.00 0.00 H new ATOM 1018 N GLU A 67 3.688 -10.321 3.753 1.00 0.00 N ATOM 1019 CA GLU A 67 3.117 -11.316 4.635 1.00 0.00 C ATOM 1020 C GLU A 67 4.012 -11.394 5.870 1.00 0.00 C ATOM 1021 O GLU A 67 3.542 -11.356 7.016 1.00 0.00 O ATOM 1022 CB GLU A 67 3.029 -12.672 3.897 1.00 0.00 C ATOM 1023 CG GLU A 67 3.355 -13.834 4.843 1.00 0.00 C ATOM 1024 CD GLU A 67 2.973 -15.160 4.202 1.00 0.00 C ATOM 1025 OE1 GLU A 67 2.710 -15.166 3.013 1.00 0.00 O ATOM 1026 OE2 GLU A 67 2.946 -16.153 4.913 1.00 0.00 O ATOM 0 H GLU A 67 3.984 -10.665 2.840 1.00 0.00 H new ATOM 0 HA GLU A 67 2.104 -11.052 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.028 -12.802 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.722 -12.678 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.419 -13.831 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.817 -13.708 5.783 1.00 0.00 H new ATOM 1033 N GLY A 68 5.312 -11.473 5.619 1.00 0.00 N ATOM 1034 CA GLY A 68 6.266 -11.525 6.701 1.00 0.00 C ATOM 1035 C GLY A 68 6.082 -10.299 7.578 1.00 0.00 C ATOM 1036 O GLY A 68 6.076 -10.402 8.801 1.00 0.00 O ATOM 0 H GLY A 68 5.720 -11.502 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.122 -12.433 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.282 -11.558 6.307 1.00 0.00 H new ATOM 1040 N TRP A 69 5.904 -9.130 6.947 1.00 0.00 N ATOM 1041 CA TRP A 69 5.710 -7.902 7.710 1.00 0.00 C ATOM 1042 C TRP A 69 4.746 -8.174 8.862 1.00 0.00 C ATOM 1043 O TRP A 69 5.077 -7.932 10.014 1.00 0.00 O ATOM 1044 CB TRP A 69 5.157 -6.768 6.824 1.00 0.00 C ATOM 1045 CG TRP A 69 6.256 -5.929 6.236 1.00 0.00 C ATOM 1046 CD1 TRP A 69 7.555 -6.291 6.055 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.143 -4.571 5.746 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.236 -5.227 5.490 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.406 -4.144 5.278 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.066 -3.679 5.668 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 7.590 -2.866 4.746 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.242 -2.398 5.138 1.00 0.00 C ATOM 1053 CH2 TRP A 69 6.503 -1.987 4.675 1.00 0.00 C ATOM 0 H TRP A 69 5.891 -9.015 5.934 1.00 0.00 H new ATOM 0 HA TRP A 69 6.677 -7.581 8.097 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.557 -7.195 6.020 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.494 -6.136 7.415 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.983 -7.249 6.310 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.229 -5.241 5.259 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.092 -3.984 6.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.563 -2.558 4.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.403 -1.720 5.084 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.633 -0.996 4.266 1.00 0.00 H new ATOM 1064 N ARG A 70 3.578 -8.712 8.544 1.00 0.00 N ATOM 1065 CA ARG A 70 2.590 -9.020 9.582 1.00 0.00 C ATOM 1066 C ARG A 70 3.181 -9.919 10.657 1.00 0.00 C ATOM 1067 O ARG A 70 2.958 -9.705 11.849 1.00 0.00 O ATOM 1068 CB ARG A 70 1.397 -9.732 8.959 1.00 0.00 C ATOM 1069 CG ARG A 70 0.606 -8.751 8.092 1.00 0.00 C ATOM 1070 CD ARG A 70 -0.497 -9.510 7.359 1.00 0.00 C ATOM 1071 NE ARG A 70 0.094 -10.449 6.408 1.00 0.00 N ATOM 1072 CZ ARG A 70 -0.675 -11.260 5.686 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.974 -11.185 5.789 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -0.136 -12.127 4.873 1.00 0.00 N ATOM 0 H ARG A 70 3.289 -8.943 7.594 1.00 0.00 H new ATOM 0 HA ARG A 70 2.281 -8.079 10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.738 -10.573 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.756 -10.140 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.174 -7.965 8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.268 -8.264 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.119 -10.047 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.147 -8.809 6.835 1.00 0.00 H new ATOM 0 HE ARG A 70 1.107 -10.483 6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.397 -10.506 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.566 -11.805 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.879 -12.185 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.730 -12.747 4.322 1.00 0.00 H new ATOM 1088 N LYS A 71 3.928 -10.931 10.235 1.00 0.00 N ATOM 1089 CA LYS A 71 4.535 -11.862 11.193 1.00 0.00 C ATOM 1090 C LYS A 71 5.817 -11.268 11.777 1.00 0.00 C ATOM 1091 O LYS A 71 6.425 -11.833 12.688 1.00 0.00 O ATOM 1092 CB LYS A 71 4.844 -13.200 10.504 1.00 0.00 C ATOM 1093 CG LYS A 71 3.570 -14.050 10.377 1.00 0.00 C ATOM 1094 CD LYS A 71 2.609 -13.402 9.369 1.00 0.00 C ATOM 1095 CE LYS A 71 1.444 -14.349 9.059 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.508 -13.680 8.112 1.00 0.00 N ATOM 0 H LYS A 71 4.129 -11.131 9.255 1.00 0.00 H new ATOM 0 HA LYS A 71 3.828 -12.034 12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.266 -13.017 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.596 -13.745 11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.826 -15.059 10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.085 -14.141 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.227 -12.464 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.144 -13.160 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.819 -15.276 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.922 -14.616 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.285 -14.318 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.143 -12.807 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.012 -13.447 7.232 1.00 0.00 H new ATOM 1110 N ARG A 72 6.222 -10.131 11.229 1.00 0.00 N ATOM 1111 CA ARG A 72 7.441 -9.442 11.658 1.00 0.00 C ATOM 1112 C ARG A 72 7.136 -8.338 12.659 1.00 0.00 C ATOM 1113 O ARG A 72 8.014 -7.556 13.017 1.00 0.00 O ATOM 1114 CB ARG A 72 8.089 -8.835 10.423 1.00 0.00 C ATOM 1115 CG ARG A 72 8.835 -9.918 9.644 1.00 0.00 C ATOM 1116 CD ARG A 72 9.302 -9.365 8.298 1.00 0.00 C ATOM 1117 NE ARG A 72 10.029 -10.394 7.564 1.00 0.00 N ATOM 1118 CZ ARG A 72 10.742 -10.102 6.480 1.00 0.00 C ATOM 1119 NH1 ARG A 72 10.796 -8.873 6.043 1.00 0.00 N ATOM 1120 NH2 ARG A 72 11.385 -11.047 5.848 1.00 0.00 N ATOM 0 H ARG A 72 5.720 -9.658 10.477 1.00 0.00 H new ATOM 0 HA ARG A 72 8.104 -10.157 12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.329 -8.377 9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.779 -8.044 10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.692 -10.267 10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.184 -10.778 9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.444 -9.028 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.942 -8.497 8.454 1.00 0.00 H new ATOM 0 HE ARG A 72 9.990 -11.360 7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.291 -8.135 6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.343 -8.651 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.340 -12.008 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.932 -10.824 5.017 1.00 0.00 H new ATOM 1134 N GLY A 73 5.897 -8.277 13.106 1.00 0.00 N ATOM 1135 CA GLY A 73 5.508 -7.254 14.073 1.00 0.00 C ATOM 1136 C GLY A 73 5.690 -5.866 13.469 1.00 0.00 C ATOM 1137 O GLY A 73 5.499 -4.854 14.142 1.00 0.00 O ATOM 0 H GLY A 73 5.149 -8.910 12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.468 -7.397 14.368 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.111 -7.348 14.976 1.00 0.00 H new ATOM 1141 N TRP A 74 6.051 -5.857 12.187 1.00 0.00 N ATOM 1142 CA TRP A 74 6.252 -4.636 11.413 1.00 0.00 C ATOM 1143 C TRP A 74 7.524 -3.895 11.782 1.00 0.00 C ATOM 1144 O TRP A 74 7.534 -2.965 12.587 1.00 0.00 O ATOM 1145 CB TRP A 74 5.004 -3.723 11.477 1.00 0.00 C ATOM 1146 CG TRP A 74 3.990 -4.292 10.540 1.00 0.00 C ATOM 1147 CD1 TRP A 74 3.685 -5.597 10.442 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.182 -3.610 9.554 1.00 0.00 C ATOM 1149 NE1 TRP A 74 2.793 -5.771 9.415 1.00 0.00 N ATOM 1150 CE2 TRP A 74 2.424 -4.571 8.850 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.042 -2.270 9.203 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 1.553 -4.210 7.823 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.172 -1.893 8.186 1.00 0.00 C ATOM 1154 CH2 TRP A 74 1.415 -2.866 7.485 1.00 0.00 C ATOM 0 H TRP A 74 6.214 -6.709 11.651 1.00 0.00 H new ATOM 0 HA TRP A 74 6.387 -4.944 10.376 1.00 0.00 H new ATOM 0 HB2 TRP A 74 4.609 -3.682 12.492 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.260 -2.702 11.193 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.079 -6.382 11.071 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.445 -6.679 9.107 1.00 0.00 H new ATOM 0 HE3 TRP A 74 3.614 -1.517 9.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 0.991 -4.965 7.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.072 -0.849 7.927 1.00 0.00 H new ATOM 0 HH2 TRP A 74 0.739 -2.568 6.697 1.00 0.00 H new ATOM 1165 N ARG A 75 8.588 -4.326 11.116 1.00 0.00 N ATOM 1166 CA ARG A 75 9.921 -3.749 11.254 1.00 0.00 C ATOM 1167 C ARG A 75 10.529 -3.676 9.859 1.00 0.00 C ATOM 1168 O ARG A 75 9.990 -4.259 8.920 1.00 0.00 O ATOM 1169 CB ARG A 75 10.816 -4.634 12.149 1.00 0.00 C ATOM 1170 CG ARG A 75 10.682 -4.245 13.635 1.00 0.00 C ATOM 1171 CD ARG A 75 9.441 -4.910 14.271 1.00 0.00 C ATOM 1172 NE ARG A 75 8.664 -3.907 14.981 1.00 0.00 N ATOM 1173 CZ ARG A 75 8.906 -3.611 16.256 1.00 0.00 C ATOM 1174 NH1 ARG A 75 9.875 -4.211 16.894 1.00 0.00 N ATOM 1175 NH2 ARG A 75 8.180 -2.715 16.867 1.00 0.00 N ATOM 0 H ARG A 75 8.549 -5.100 10.453 1.00 0.00 H new ATOM 0 HA ARG A 75 9.851 -2.764 11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.542 -5.681 12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.856 -4.536 11.838 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.579 -4.547 14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.605 -3.161 13.726 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.831 -5.379 13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.749 -5.699 14.957 1.00 0.00 H new ATOM 0 HE ARG A 75 7.915 -3.418 14.490 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.447 -4.907 16.415 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.060 -3.984 17.871 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.427 -2.242 16.368 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.365 -2.488 17.844 1.00 0.00 H new ATOM 1189 N THR A 76 11.656 -2.995 9.720 1.00 0.00 N ATOM 1190 CA THR A 76 12.307 -2.909 8.423 1.00 0.00 C ATOM 1191 C THR A 76 13.240 -4.078 8.253 1.00 0.00 C ATOM 1192 O THR A 76 13.519 -4.813 9.200 1.00 0.00 O ATOM 1193 CB THR A 76 13.088 -1.616 8.288 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.133 -1.610 9.242 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.135 -0.431 8.497 1.00 0.00 C ATOM 0 H THR A 76 12.132 -2.502 10.475 1.00 0.00 H new ATOM 0 HA THR A 76 11.538 -2.928 7.651 1.00 0.00 H new ATOM 0 HB THR A 76 13.527 -1.532 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.992 -1.737 8.787 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.689 0.503 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.345 -0.463 7.747 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.693 -0.491 9.492 1.00 0.00 H new ATOM 1203 N ALA A 77 13.712 -4.251 7.045 1.00 0.00 N ATOM 1204 CA ALA A 77 14.608 -5.352 6.766 1.00 0.00 C ATOM 1205 C ALA A 77 15.847 -5.274 7.648 1.00 0.00 C ATOM 1206 O ALA A 77 16.635 -6.219 7.705 1.00 0.00 O ATOM 1207 CB ALA A 77 14.992 -5.351 5.284 1.00 0.00 C ATOM 0 H ALA A 77 13.497 -3.654 6.246 1.00 0.00 H new ATOM 0 HA ALA A 77 14.096 -6.287 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.667 -6.183 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.094 -5.456 4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.489 -4.413 5.038 1.00 0.00 H new ATOM 1213 N GLU A 78 16.011 -4.155 8.349 1.00 0.00 N ATOM 1214 CA GLU A 78 17.156 -3.985 9.236 1.00 0.00 C ATOM 1215 C GLU A 78 16.801 -4.409 10.655 1.00 0.00 C ATOM 1216 O GLU A 78 17.583 -5.082 11.327 1.00 0.00 O ATOM 1217 CB GLU A 78 17.600 -2.521 9.238 1.00 0.00 C ATOM 1218 CG GLU A 78 19.047 -2.421 9.709 1.00 0.00 C ATOM 1219 CD GLU A 78 19.516 -0.971 9.664 1.00 0.00 C ATOM 1220 OE1 GLU A 78 18.844 -0.171 9.035 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.539 -0.679 10.263 1.00 0.00 O ATOM 0 H GLU A 78 15.372 -3.360 8.320 1.00 0.00 H new ATOM 0 HA GLU A 78 17.970 -4.613 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.504 -2.101 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.954 -1.936 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.134 -2.808 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.686 -3.037 9.077 1.00 0.00 H new ATOM 1228 N GLY A 79 15.614 -4.012 11.103 1.00 0.00 N ATOM 1229 CA GLY A 79 15.151 -4.354 12.444 1.00 0.00 C ATOM 1230 C GLY A 79 14.578 -3.137 13.148 1.00 0.00 C ATOM 1231 O GLY A 79 14.205 -3.205 14.320 1.00 0.00 O ATOM 0 H GLY A 79 14.956 -3.454 10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.392 -5.134 12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.979 -4.759 13.026 1.00 0.00 H new ATOM 1235 N LYS A 80 14.491 -2.023 12.424 1.00 0.00 N ATOM 1236 CA LYS A 80 13.934 -0.790 12.990 1.00 0.00 C ATOM 1237 C LYS A 80 12.478 -0.647 12.531 1.00 0.00 C ATOM 1238 O LYS A 80 12.129 -1.127 11.454 1.00 0.00 O ATOM 1239 CB LYS A 80 14.788 0.437 12.590 1.00 0.00 C ATOM 1240 CG LYS A 80 14.596 0.811 11.095 1.00 0.00 C ATOM 1241 CD LYS A 80 15.964 1.011 10.387 1.00 0.00 C ATOM 1242 CE LYS A 80 15.860 0.736 8.870 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.668 1.743 8.127 1.00 0.00 N ATOM 0 H LYS A 80 14.795 -1.945 11.453 1.00 0.00 H new ATOM 0 HA LYS A 80 13.955 -0.842 14.079 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.517 1.288 13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.840 0.225 12.779 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.033 0.026 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.007 1.725 11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.314 2.030 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.705 0.345 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.217 -0.269 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.819 0.783 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.393 1.737 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.498 2.688 8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.678 1.508 8.210 1.00 0.00 H new ATOM 1257 N PRO A 81 11.617 -0.035 13.309 1.00 0.00 N ATOM 1258 CA PRO A 81 10.184 0.113 12.928 1.00 0.00 C ATOM 1259 C PRO A 81 9.999 0.556 11.476 1.00 0.00 C ATOM 1260 O PRO A 81 10.898 1.130 10.860 1.00 0.00 O ATOM 1261 CB PRO A 81 9.632 1.172 13.895 1.00 0.00 C ATOM 1262 CG PRO A 81 10.571 1.196 15.072 1.00 0.00 C ATOM 1263 CD PRO A 81 11.904 0.566 14.620 1.00 0.00 C ATOM 0 HA PRO A 81 9.662 -0.841 12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.584 2.150 13.415 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.619 0.921 14.210 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.728 2.219 15.415 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.149 0.640 15.909 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.690 1.317 14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.247 -0.185 15.332 1.00 0.00 H new ATOM 1271 N VAL A 82 8.815 0.276 10.952 1.00 0.00 N ATOM 1272 CA VAL A 82 8.467 0.632 9.573 1.00 0.00 C ATOM 1273 C VAL A 82 7.908 2.047 9.552 1.00 0.00 C ATOM 1274 O VAL A 82 7.124 2.415 10.420 1.00 0.00 O ATOM 1275 CB VAL A 82 7.408 -0.356 9.009 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.648 -0.642 7.520 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.481 -1.679 9.768 1.00 0.00 C ATOM 0 H VAL A 82 8.070 -0.200 11.461 1.00 0.00 H new ATOM 0 HA VAL A 82 9.361 0.575 8.952 1.00 0.00 H new ATOM 0 HB VAL A 82 6.428 0.106 9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.891 -1.336 7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.588 0.289 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.637 -1.082 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.737 -2.369 9.369 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.475 -2.111 9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.283 -1.503 10.825 1.00 0.00 H new ATOM 1287 N LYS A 83 8.297 2.834 8.562 1.00 0.00 N ATOM 1288 CA LYS A 83 7.811 4.185 8.447 1.00 0.00 C ATOM 1289 C LYS A 83 6.479 4.175 7.708 1.00 0.00 C ATOM 1290 O LYS A 83 6.240 3.304 6.875 1.00 0.00 O ATOM 1291 CB LYS A 83 8.830 5.016 7.670 1.00 0.00 C ATOM 1292 CG LYS A 83 10.252 4.762 8.195 1.00 0.00 C ATOM 1293 CD LYS A 83 10.338 5.072 9.692 1.00 0.00 C ATOM 1294 CE LYS A 83 11.796 4.983 10.147 1.00 0.00 C ATOM 1295 NZ LYS A 83 11.875 5.281 11.606 1.00 0.00 N ATOM 0 H LYS A 83 8.949 2.553 7.829 1.00 0.00 H new ATOM 0 HA LYS A 83 7.670 4.619 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.778 4.766 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.588 6.075 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.531 3.724 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.963 5.381 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.944 6.068 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.726 4.368 10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.192 3.988 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.408 5.689 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.865 5.222 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.512 6.239 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.303 4.590 12.133 1.00 0.00 H new ATOM 1309 N ASN A 84 5.616 5.139 8.033 1.00 0.00 N ATOM 1310 CA ASN A 84 4.301 5.238 7.405 1.00 0.00 C ATOM 1311 C ASN A 84 3.420 4.065 7.820 1.00 0.00 C ATOM 1312 O ASN A 84 2.325 3.875 7.289 1.00 0.00 O ATOM 1313 CB ASN A 84 4.441 5.270 5.875 1.00 0.00 C ATOM 1314 CG ASN A 84 5.429 6.351 5.454 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.200 7.052 4.467 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.519 6.530 6.145 1.00 0.00 N ATOM 0 H ASN A 84 5.806 5.861 8.728 1.00 0.00 H new ATOM 0 HA ASN A 84 3.832 6.164 7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.779 4.299 5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.469 5.459 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.185 7.252 5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.706 5.948 6.962 1.00 0.00 H new ATOM 1323 N ARG A 85 3.919 3.278 8.764 1.00 0.00 N ATOM 1324 CA ARG A 85 3.185 2.102 9.248 1.00 0.00 C ATOM 1325 C ARG A 85 1.720 2.433 9.491 1.00 0.00 C ATOM 1326 O ARG A 85 0.857 1.561 9.470 1.00 0.00 O ATOM 1327 CB ARG A 85 3.837 1.560 10.540 1.00 0.00 C ATOM 1328 CG ARG A 85 3.549 2.442 11.779 1.00 0.00 C ATOM 1329 CD ARG A 85 4.483 3.653 11.809 1.00 0.00 C ATOM 1330 NE ARG A 85 4.273 4.411 13.036 1.00 0.00 N ATOM 1331 CZ ARG A 85 4.895 5.564 13.251 1.00 0.00 C ATOM 1332 NH1 ARG A 85 5.719 6.040 12.356 1.00 0.00 N ATOM 1333 NH2 ARG A 85 4.686 6.219 14.360 1.00 0.00 N ATOM 0 H ARG A 85 4.823 3.426 9.212 1.00 0.00 H new ATOM 0 HA ARG A 85 3.232 1.331 8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.473 0.550 10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.915 1.489 10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.512 2.777 11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.678 1.854 12.688 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.521 3.325 11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.297 4.288 10.943 1.00 0.00 H new ATOM 0 HE ARG A 85 3.635 4.048 13.744 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.885 5.526 11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.196 6.926 12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.046 5.845 15.060 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.163 7.105 14.527 1.00 0.00 H new ATOM 1347 N ASP A 86 1.455 3.700 9.722 1.00 0.00 N ATOM 1348 CA ASP A 86 0.100 4.158 9.974 1.00 0.00 C ATOM 1349 C ASP A 86 -0.705 4.217 8.684 1.00 0.00 C ATOM 1350 O ASP A 86 -1.873 3.827 8.651 1.00 0.00 O ATOM 1351 CB ASP A 86 0.135 5.541 10.624 1.00 0.00 C ATOM 1352 CG ASP A 86 -1.284 6.061 10.821 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -2.207 5.270 10.707 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.430 7.246 11.076 1.00 0.00 O ATOM 0 H ASP A 86 2.161 4.436 9.741 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.382 3.449 10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.648 5.488 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.701 6.232 9.998 1.00 0.00 H new ATOM 1359 N LEU A 87 -0.070 4.688 7.618 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.737 4.775 6.342 1.00 0.00 C ATOM 1361 C LEU A 87 -0.954 3.375 5.827 1.00 0.00 C ATOM 1362 O LEU A 87 -2.022 3.042 5.324 1.00 0.00 O ATOM 1363 CB LEU A 87 0.119 5.575 5.355 1.00 0.00 C ATOM 1364 CG LEU A 87 0.575 6.897 5.998 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.354 7.744 4.980 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.640 7.692 6.489 1.00 0.00 C ATOM 0 H LEU A 87 0.898 5.011 7.619 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.694 5.284 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.988 4.988 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.453 5.780 4.450 1.00 0.00 H new ATOM 0 HG LEU A 87 1.222 6.662 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.670 8.676 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.231 7.192 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.714 7.966 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.305 8.625 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.295 7.912 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.185 7.105 7.228 1.00 0.00 H new ATOM 1378 N TRP A 88 0.079 2.562 5.989 1.00 0.00 N ATOM 1379 CA TRP A 88 0.051 1.185 5.570 1.00 0.00 C ATOM 1380 C TRP A 88 -0.999 0.389 6.341 1.00 0.00 C ATOM 1381 O TRP A 88 -1.934 -0.149 5.753 1.00 0.00 O ATOM 1382 CB TRP A 88 1.425 0.616 5.848 1.00 0.00 C ATOM 1383 CG TRP A 88 2.379 1.030 4.799 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.408 1.867 4.988 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.411 0.634 3.409 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.074 2.023 3.795 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.495 1.281 2.788 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.606 -0.214 2.637 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.775 1.095 1.442 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.881 -0.409 1.278 1.00 0.00 C ATOM 1391 CH2 TRP A 88 2.965 0.246 0.679 1.00 0.00 C ATOM 0 H TRP A 88 0.959 2.848 6.417 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.208 1.121 4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.776 0.957 6.822 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.373 -0.472 5.891 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.671 2.341 5.922 1.00 0.00 H new ATOM 0 HE1 TRP A 88 4.895 2.615 3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.768 -0.720 3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.612 1.602 0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.256 -1.066 0.690 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.175 0.096 -0.370 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.832 0.306 7.657 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.778 -0.449 8.480 1.00 0.00 C ATOM 1404 C GLU A 89 -3.215 -0.041 8.164 1.00 0.00 C ATOM 1405 O GLU A 89 -4.141 -0.853 8.236 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.512 -0.198 9.971 1.00 0.00 C ATOM 1407 CG GLU A 89 -0.273 -0.973 10.424 1.00 0.00 C ATOM 1408 CD GLU A 89 0.046 -0.637 11.877 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.710 0.114 12.471 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.041 -1.138 12.374 1.00 0.00 O ATOM 0 H GLU A 89 -0.067 0.742 8.171 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.642 -1.507 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.368 0.868 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.377 -0.505 10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.445 -2.044 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.576 -0.722 9.789 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.380 1.222 7.797 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.703 1.746 7.458 1.00 0.00 C ATOM 1419 C ALA A 90 -5.081 1.319 6.053 1.00 0.00 C ATOM 1420 O ALA A 90 -6.209 0.901 5.794 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.717 3.271 7.564 1.00 0.00 C ATOM 0 H ALA A 90 -2.623 1.902 7.725 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.431 1.343 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.709 3.644 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.469 3.567 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.983 3.690 6.876 1.00 0.00 H new ATOM 1427 N LEU A 91 -4.114 1.395 5.159 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.315 0.987 3.798 1.00 0.00 C ATOM 1429 C LEU A 91 -4.575 -0.525 3.750 1.00 0.00 C ATOM 1430 O LEU A 91 -5.396 -0.995 2.976 1.00 0.00 O ATOM 1431 CB LEU A 91 -3.082 1.445 2.980 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.713 0.444 1.885 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.854 1.137 0.811 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.934 -0.768 2.477 1.00 0.00 C ATOM 0 H LEU A 91 -3.176 1.740 5.362 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.194 1.452 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.287 2.416 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.232 1.578 3.650 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.635 0.075 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.594 0.419 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.416 1.961 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.943 1.523 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.683 -1.465 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.018 -0.415 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.555 -1.273 3.217 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.890 -1.272 4.607 1.00 0.00 N ATOM 1447 CA LEU A 92 -4.070 -2.720 4.673 1.00 0.00 C ATOM 1448 C LEU A 92 -5.495 -3.044 5.103 1.00 0.00 C ATOM 1449 O LEU A 92 -6.135 -3.937 4.549 1.00 0.00 O ATOM 1450 CB LEU A 92 -3.065 -3.336 5.660 1.00 0.00 C ATOM 1451 CG LEU A 92 -3.153 -4.883 5.621 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.480 -5.422 4.351 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -2.462 -5.491 6.856 1.00 0.00 C ATOM 0 H LEU A 92 -3.205 -0.901 5.266 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.892 -3.145 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.054 -3.016 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.270 -2.978 6.669 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.206 -5.164 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.549 -6.510 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.981 -5.015 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.431 -5.125 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.532 -6.578 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.413 -5.195 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.951 -5.130 7.761 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.992 -2.299 6.078 1.00 0.00 N ATOM 1466 CA LEU A 93 -7.355 -2.499 6.554 1.00 0.00 C ATOM 1467 C LEU A 93 -8.339 -2.106 5.462 1.00 0.00 C ATOM 1468 O LEU A 93 -9.400 -2.711 5.302 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.602 -1.655 7.811 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.988 -2.347 9.045 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.672 -1.302 10.116 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.981 -3.356 9.623 1.00 0.00 C ATOM 0 H LEU A 93 -5.479 -1.556 6.553 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.497 -3.550 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.165 -0.665 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.673 -1.514 7.959 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.075 -2.860 8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.238 -1.793 10.987 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.963 -0.576 9.718 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.589 -0.791 10.407 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.541 -3.841 10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.894 -2.840 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.216 -4.108 8.869 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.961 -1.082 4.720 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.788 -0.575 3.625 1.00 0.00 C ATOM 1486 C ALA A 94 -8.612 -1.420 2.362 1.00 0.00 C ATOM 1487 O ALA A 94 -9.406 -1.317 1.426 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.426 0.880 3.323 1.00 0.00 C ATOM 0 H ALA A 94 -7.084 -0.579 4.851 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.831 -0.635 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.047 1.248 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.596 1.489 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.376 0.942 3.036 1.00 0.00 H new ATOM 1494 N MET A 95 -7.575 -2.260 2.340 1.00 0.00 N ATOM 1495 CA MET A 95 -7.317 -3.126 1.178 1.00 0.00 C ATOM 1496 C MET A 95 -7.893 -4.512 1.383 1.00 0.00 C ATOM 1497 O MET A 95 -7.756 -5.389 0.532 1.00 0.00 O ATOM 1498 CB MET A 95 -5.813 -3.243 0.904 1.00 0.00 C ATOM 1499 CG MET A 95 -5.320 -1.988 0.189 1.00 0.00 C ATOM 1500 SD MET A 95 -3.502 -2.008 -0.003 1.00 0.00 S ATOM 1501 CE MET A 95 -3.221 -3.733 -0.463 1.00 0.00 C ATOM 0 H MET A 95 -6.905 -2.362 3.102 1.00 0.00 H new ATOM 0 HA MET A 95 -7.806 -2.663 0.321 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.272 -3.375 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.612 -4.123 0.293 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.791 -1.916 -0.791 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.619 -1.104 0.752 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.215 -3.842 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.327 -4.366 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 95 -3.951 -4.032 -1.215 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.527 -4.703 2.511 1.00 0.00 N ATOM 1512 CA ALA A 96 -9.119 -6.000 2.820 1.00 0.00 C ATOM 1513 C ALA A 96 -10.422 -6.191 2.033 1.00 0.00 C ATOM 1514 O ALA A 96 -10.582 -7.199 1.345 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.351 -6.146 4.346 1.00 0.00 C ATOM 0 H ALA A 96 -8.652 -3.991 3.231 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.425 -6.784 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.793 -7.120 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.398 -6.060 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.025 -5.361 4.688 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.351 -5.262 2.108 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.649 -5.371 1.373 1.00 0.00 C ATOM 1523 C PRO A 97 -12.463 -5.313 -0.153 1.00 0.00 C ATOM 1524 O PRO A 97 -13.227 -5.928 -0.901 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.470 -4.167 1.894 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.776 -3.739 3.142 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.301 -4.011 2.884 1.00 0.00 C ATOM 0 HA PRO A 97 -13.142 -6.327 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.497 -3.361 1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.503 -4.451 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.952 -2.684 3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.136 -4.298 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.829 -3.203 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.740 -4.128 3.811 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.463 -4.550 -0.610 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.206 -4.396 -2.046 1.00 0.00 C ATOM 1537 C HIS A 98 -10.255 -5.447 -2.595 1.00 0.00 C ATOM 1538 O HIS A 98 -9.556 -6.133 -1.848 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.597 -3.027 -2.283 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.447 -2.025 -1.585 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -11.054 -0.723 -1.399 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -12.696 -2.123 -1.035 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -12.051 -0.096 -0.768 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -13.076 -0.901 -0.517 1.00 0.00 N ATOM 0 H HIS A 98 -10.822 -4.032 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.159 -4.515 -2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.576 -2.992 -1.904 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.548 -2.810 -3.350 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -10.167 -0.311 -1.688 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -13.295 -3.021 -1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.026 0.948 -0.493 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.226 -5.539 -3.927 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.340 -6.484 -4.620 1.00 0.00 C ATOM 1554 C ARG A 99 -8.120 -5.745 -5.138 1.00 0.00 C ATOM 1555 O ARG A 99 -7.208 -6.350 -5.699 1.00 0.00 O ATOM 1556 CB ARG A 99 -10.082 -7.169 -5.787 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.767 -8.454 -5.306 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.912 -8.102 -4.360 1.00 0.00 C ATOM 1559 NE ARG A 99 -12.568 -9.319 -3.899 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.090 -10.010 -2.869 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -11.018 -9.600 -2.250 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -12.693 -11.100 -2.479 1.00 0.00 N ATOM 0 H ARG A 99 -10.804 -4.973 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.025 -7.255 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.824 -6.488 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.379 -7.402 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.147 -9.017 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.046 -9.094 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.531 -7.539 -3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.632 -7.461 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.409 -9.646 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.546 -8.749 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.651 -10.130 -1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.531 -11.421 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.327 -11.631 -1.689 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.129 -4.440 -4.906 1.00 0.00 N ATOM 1577 CA VAL A 100 -7.038 -3.531 -5.293 1.00 0.00 C ATOM 1578 C VAL A 100 -5.865 -4.254 -5.958 1.00 0.00 C ATOM 1579 O VAL A 100 -5.160 -5.038 -5.325 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.531 -2.850 -4.030 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -5.932 -3.928 -3.096 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.462 -1.810 -4.400 1.00 0.00 C ATOM 0 H VAL A 100 -8.902 -3.967 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.434 -2.822 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.349 -2.340 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.564 -3.456 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.701 -4.657 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.108 -4.431 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.100 -1.323 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.631 -2.305 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.896 -1.063 -5.065 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.665 -3.990 -7.237 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.579 -4.618 -7.985 1.00 0.00 C ATOM 1594 C ARG A 101 -3.353 -3.701 -8.002 1.00 0.00 C ATOM 1595 O ARG A 101 -3.485 -2.477 -7.943 1.00 0.00 O ATOM 1596 CB ARG A 101 -5.060 -4.864 -9.406 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.171 -5.919 -9.411 1.00 0.00 C ATOM 1598 CD ARG A 101 -6.952 -5.802 -10.719 1.00 0.00 C ATOM 1599 NE ARG A 101 -7.953 -6.857 -10.818 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.609 -8.093 -11.161 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.361 -8.373 -11.419 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.519 -9.026 -11.245 1.00 0.00 N ATOM 0 H ARG A 101 -6.237 -3.346 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.297 -5.560 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.429 -3.934 -9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.229 -5.197 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.744 -6.917 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.836 -5.772 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.437 -4.827 -10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.267 -5.864 -11.564 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.931 -6.643 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.651 -7.643 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.095 -9.322 -11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.495 -8.806 -11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.254 -9.975 -11.509 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.162 -4.297 -8.094 1.00 0.00 N ATOM 1617 CA PHE A 102 -0.909 -3.528 -8.131 1.00 0.00 C ATOM 1618 C PHE A 102 -0.295 -3.589 -9.533 1.00 0.00 C ATOM 1619 O PHE A 102 -0.115 -4.669 -10.096 1.00 0.00 O ATOM 1620 CB PHE A 102 0.090 -4.105 -7.113 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.174 -3.554 -5.721 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.438 -3.698 -5.129 1.00 0.00 C ATOM 1623 CD2 PHE A 102 0.858 -2.924 -5.007 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.661 -3.216 -3.831 1.00 0.00 C ATOM 1625 CE2 PHE A 102 0.630 -2.439 -3.718 1.00 0.00 C ATOM 1626 CZ PHE A 102 -0.627 -2.587 -3.128 1.00 0.00 C ATOM 0 H PHE A 102 -2.035 -5.308 -8.144 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.128 -2.491 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.013 -5.192 -7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.108 -3.861 -7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.238 -4.179 -5.672 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.833 -2.814 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.632 -3.330 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.426 -1.949 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.801 -2.216 -2.129 1.00 0.00 H new ATOM 1636 N HIS A 103 0.024 -2.419 -10.090 1.00 0.00 N ATOM 1637 CA HIS A 103 0.621 -2.337 -11.427 1.00 0.00 C ATOM 1638 C HIS A 103 1.797 -1.362 -11.435 1.00 0.00 C ATOM 1639 O HIS A 103 1.628 -0.182 -11.709 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.439 -1.860 -12.434 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.255 -3.030 -12.921 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -1.043 -3.609 -14.161 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.275 -3.743 -12.342 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -1.917 -4.625 -14.289 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.692 -4.751 -13.208 1.00 0.00 N ATOM 0 H HIS A 103 -0.120 -1.516 -9.638 1.00 0.00 H new ATOM 0 HA HIS A 103 0.983 -3.327 -11.706 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.091 -1.122 -11.966 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.045 -1.368 -13.278 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.691 -3.552 -11.364 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.984 -5.261 -15.160 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.430 -5.437 -13.051 1.00 0.00 H new ATOM 1653 N PHE A 104 2.991 -1.848 -11.151 1.00 0.00 N ATOM 1654 CA PHE A 104 4.145 -0.974 -11.148 1.00 0.00 C ATOM 1655 C PHE A 104 4.436 -0.501 -12.572 1.00 0.00 C ATOM 1656 O PHE A 104 5.040 -1.216 -13.370 1.00 0.00 O ATOM 1657 CB PHE A 104 5.364 -1.703 -10.550 1.00 0.00 C ATOM 1658 CG PHE A 104 4.893 -2.851 -9.684 1.00 0.00 C ATOM 1659 CD1 PHE A 104 4.488 -2.612 -8.365 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.859 -4.151 -10.202 1.00 0.00 C ATOM 1661 CE1 PHE A 104 4.052 -3.673 -7.564 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.421 -5.213 -9.400 1.00 0.00 C ATOM 1663 CZ PHE A 104 4.017 -4.974 -8.081 1.00 0.00 C ATOM 0 H PHE A 104 3.184 -2.823 -10.924 1.00 0.00 H new ATOM 0 HA PHE A 104 3.936 -0.102 -10.528 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.006 -2.076 -11.349 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.962 -1.009 -9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.512 -1.609 -7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.170 -4.335 -11.220 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.742 -3.489 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.395 -6.216 -9.799 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.679 -5.792 -7.463 1.00 0.00 H new ATOM 1673 N VAL A 105 3.985 0.714 -12.877 1.00 0.00 N ATOM 1674 CA VAL A 105 4.167 1.305 -14.190 1.00 0.00 C ATOM 1675 C VAL A 105 5.392 2.208 -14.179 1.00 0.00 C ATOM 1676 O VAL A 105 5.289 3.428 -14.104 1.00 0.00 O ATOM 1677 CB VAL A 105 2.896 2.098 -14.552 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.164 3.078 -15.713 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.792 1.109 -14.957 1.00 0.00 C ATOM 0 H VAL A 105 3.485 1.311 -12.218 1.00 0.00 H new ATOM 0 HA VAL A 105 4.328 0.530 -14.939 1.00 0.00 H new ATOM 0 HB VAL A 105 2.585 2.679 -13.684 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.250 3.624 -15.947 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.943 3.783 -15.422 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.489 2.521 -16.592 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.887 1.659 -15.215 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.122 0.528 -15.818 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.583 0.437 -14.125 1.00 0.00 H new ATOM 1689 N LYS A 106 6.556 1.588 -14.268 1.00 0.00 N ATOM 1690 CA LYS A 106 7.823 2.318 -14.286 1.00 0.00 C ATOM 1691 C LYS A 106 8.460 2.229 -15.669 1.00 0.00 C ATOM 1692 O LYS A 106 7.730 2.310 -16.643 1.00 0.00 O ATOM 1693 CB LYS A 106 8.784 1.726 -13.257 1.00 0.00 C ATOM 1694 CG LYS A 106 8.243 1.955 -11.849 1.00 0.00 C ATOM 1695 CD LYS A 106 9.217 1.366 -10.831 1.00 0.00 C ATOM 1696 CE LYS A 106 8.715 1.657 -9.416 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.670 1.087 -8.425 1.00 0.00 N ATOM 0 H LYS A 106 6.655 0.575 -14.330 1.00 0.00 H new ATOM 0 HA LYS A 106 7.624 3.362 -14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.912 0.659 -13.438 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.767 2.186 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.110 3.022 -11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.263 1.489 -11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.310 0.290 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.209 1.794 -10.971 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.618 2.732 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.725 1.225 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.175 0.912 -7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.054 0.192 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.448 1.759 -8.267 1.00 0.00 H new TER 1711 LYS A 106