USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 849 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 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -1.53! K(o=-1.5!,f=0.3) USER MOD Set 2.1: A 48 THR OG1 : rot -84:sc= 1.42 USER MOD Set 2.2: A 53 ASN : amide:sc= -1.26! K(o=0.16!,f=-1.4) USER MOD Single : A 1 GLN : amide:sc= 0.152 K(o=0.15,f=-3.9!) USER MOD Single : A 1 GLN N :NH3+ -178:sc= 0.28 (180deg=0.246) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -4.39! C(o=-4.4!,f=-7.4!) USER MOD Single : A 22 TYR OH : rot 14:sc= 0.279 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 97:sc= 1.26 USER MOD Single : A 31 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.109 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0248 (180deg=-0.193) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0173 (180deg=-0.189) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -162:sc= 1.24 USER MOD Single : A 62 THR OG1 : rot -6:sc= 0.971 USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.19) USER MOD Single : A 67 THR OG1 : rot -29:sc= 0.641 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0316 (180deg=-0.272) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 74 THR OG1 : rot -85:sc= -0.182! USER MOD Single : A 77 MET CE :methyl 177:sc= 0 (180deg=-0.000685) USER MOD Single : A 78 SER OG : rot -17:sc= 0.167 USER MOD Single : A 80 HIS : no HD1:sc=-0.00548 X(o=-0.0055,f=-0.0057) USER MOD Single : A 81 MET CE :methyl 168:sc= -3.52! (180deg=-3.76!) USER MOD Single : A 84 MET CE :methyl 172:sc= -4.5! (180deg=-4.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -106:sc= -0.132 (180deg=-1.28) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= 2.08 (180deg=1.33) USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0417) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 73:sc= 1.26 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 84:sc= -0.355 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -4.291 -4.184 14.581 1.00 0.00 N ATOM 2 CA GLN A 1 -4.769 -2.901 14.012 1.00 0.00 C ATOM 3 C GLN A 1 -4.013 -1.737 14.634 1.00 0.00 C ATOM 4 O GLN A 1 -4.119 -1.509 15.840 1.00 0.00 O ATOM 5 CB GLN A 1 -6.273 -2.704 14.263 1.00 0.00 C ATOM 6 CG GLN A 1 -7.160 -3.817 13.725 1.00 0.00 C ATOM 7 CD GLN A 1 -7.210 -5.025 14.639 1.00 0.00 C ATOM 8 OE1 GLN A 1 -6.398 -5.939 14.521 1.00 0.00 O ATOM 9 NE2 GLN A 1 -8.161 -5.037 15.556 1.00 0.00 N ATOM 0 H1 GLN A 1 -4.790 -4.974 14.124 1.00 0.00 H new ATOM 0 H2 GLN A 1 -3.269 -4.278 14.414 1.00 0.00 H new ATOM 0 H3 GLN A 1 -4.478 -4.201 15.604 1.00 0.00 H new ATOM 0 HA GLN A 1 -4.590 -2.933 12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -6.439 -2.613 15.336 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -6.582 -1.761 13.811 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -8.170 -3.433 13.583 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -6.795 -4.124 12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -8.816 -4.258 15.621 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -8.240 -5.825 16.199 1.00 0.00 H new ATOM 20 N GLU A 2 -3.249 -1.007 13.811 1.00 0.00 N ATOM 21 CA GLU A 2 -2.497 0.164 14.273 1.00 0.00 C ATOM 22 C GLU A 2 -1.490 -0.213 15.366 1.00 0.00 C ATOM 23 O GLU A 2 -1.242 -1.396 15.606 1.00 0.00 O ATOM 24 CB GLU A 2 -3.453 1.242 14.790 1.00 0.00 C ATOM 25 CG GLU A 2 -4.474 1.697 13.761 1.00 0.00 C ATOM 26 CD GLU A 2 -5.394 2.767 14.301 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.369 2.425 14.998 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.149 3.956 14.030 1.00 0.00 O ATOM 0 H GLU A 2 -3.136 -1.209 12.818 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.941 0.558 13.422 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.978 0.860 15.666 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.872 2.104 15.118 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.955 2.077 12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.066 0.841 13.437 1.00 0.00 H new ATOM 35 N ALA A 3 -0.905 0.801 16.007 1.00 0.00 N ATOM 36 CA ALA A 3 0.053 0.595 17.094 1.00 0.00 C ATOM 37 C ALA A 3 0.576 1.930 17.611 1.00 0.00 C ATOM 38 O ALA A 3 1.601 2.429 17.142 1.00 0.00 O ATOM 39 CB ALA A 3 1.220 -0.277 16.649 1.00 0.00 C ATOM 0 H ALA A 3 -1.081 1.782 15.789 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.473 0.081 17.899 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.913 -0.410 17.480 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.846 -1.250 16.329 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.738 0.204 15.819 1.00 0.00 H new ATOM 45 N GLY A 4 -0.136 2.509 18.564 1.00 0.00 N ATOM 46 CA GLY A 4 0.290 3.760 19.158 1.00 0.00 C ATOM 47 C GLY A 4 0.005 4.952 18.270 1.00 0.00 C ATOM 48 O GLY A 4 -1.018 5.617 18.421 1.00 0.00 O ATOM 0 H GLY A 4 -1.007 2.133 18.939 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.215 3.895 20.114 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.359 3.714 19.366 1.00 0.00 H new ATOM 52 N GLY A 5 0.904 5.214 17.334 1.00 0.00 N ATOM 53 CA GLY A 5 0.740 6.345 16.441 1.00 0.00 C ATOM 54 C GLY A 5 0.859 5.946 14.987 1.00 0.00 C ATOM 55 O GLY A 5 1.407 6.696 14.180 1.00 0.00 O ATOM 0 H GLY A 5 1.747 4.663 17.175 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.234 6.803 16.612 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.492 7.100 16.672 1.00 0.00 H new ATOM 59 N ARG A 6 0.343 4.758 14.669 1.00 0.00 N ATOM 60 CA ARG A 6 0.377 4.212 13.309 1.00 0.00 C ATOM 61 C ARG A 6 1.798 4.186 12.758 1.00 0.00 C ATOM 62 O ARG A 6 2.205 5.065 12.002 1.00 0.00 O ATOM 63 CB ARG A 6 -0.539 5.004 12.377 1.00 0.00 C ATOM 64 CG ARG A 6 -2.003 4.930 12.769 1.00 0.00 C ATOM 65 CD ARG A 6 -2.886 5.576 11.721 1.00 0.00 C ATOM 66 NE ARG A 6 -4.305 5.462 12.060 1.00 0.00 N ATOM 67 CZ ARG A 6 -5.217 6.401 11.819 1.00 0.00 C ATOM 68 NH1 ARG A 6 -4.877 7.536 11.228 1.00 0.00 N ATOM 69 NH2 ARG A 6 -6.478 6.199 12.178 1.00 0.00 N ATOM 0 H ARG A 6 -0.111 4.146 15.347 1.00 0.00 H new ATOM 0 HA ARG A 6 0.013 3.186 13.360 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.224 6.048 12.370 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.423 4.629 11.360 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.294 3.888 12.901 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.151 5.426 13.728 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.620 6.628 11.620 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.705 5.107 10.754 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.617 4.603 12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.908 7.697 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.584 8.249 11.048 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.744 5.328 12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.181 6.915 11.996 1.00 0.00 H new ATOM 83 N PRO A 7 2.557 3.143 13.096 1.00 0.00 N ATOM 84 CA PRO A 7 3.964 3.038 12.761 1.00 0.00 C ATOM 85 C PRO A 7 4.152 2.497 11.357 1.00 0.00 C ATOM 86 O PRO A 7 4.805 1.477 11.151 1.00 0.00 O ATOM 87 CB PRO A 7 4.510 2.048 13.804 1.00 0.00 C ATOM 88 CG PRO A 7 3.319 1.554 14.574 1.00 0.00 C ATOM 89 CD PRO A 7 2.101 1.949 13.788 1.00 0.00 C ATOM 0 HA PRO A 7 4.474 4.001 12.778 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.032 1.222 13.321 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.227 2.535 14.465 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.363 0.472 14.702 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.294 1.992 15.572 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.794 1.168 13.093 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.248 2.154 14.435 1.00 0.00 H new ATOM 97 N GLY A 8 3.558 3.185 10.394 1.00 0.00 N ATOM 98 CA GLY A 8 3.642 2.749 9.021 1.00 0.00 C ATOM 99 C GLY A 8 5.025 2.966 8.446 1.00 0.00 C ATOM 100 O GLY A 8 5.416 2.297 7.495 1.00 0.00 O ATOM 0 H GLY A 8 3.019 4.038 10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.384 1.692 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.910 3.291 8.422 1.00 0.00 H new ATOM 104 N ALA A 9 5.760 3.913 9.030 1.00 0.00 N ATOM 105 CA ALA A 9 7.116 4.213 8.593 1.00 0.00 C ATOM 106 C ALA A 9 7.846 5.099 9.598 1.00 0.00 C ATOM 107 O ALA A 9 8.419 4.607 10.570 1.00 0.00 O ATOM 108 CB ALA A 9 7.113 4.869 7.223 1.00 0.00 C ATOM 0 H ALA A 9 5.434 4.485 9.809 1.00 0.00 H new ATOM 0 HA ALA A 9 7.650 3.265 8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.138 5.083 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.653 4.197 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.546 5.799 7.266 1.00 0.00 H new ATOM 114 N ASP A 10 7.795 6.409 9.368 1.00 0.00 N ATOM 115 CA ASP A 10 8.507 7.370 10.212 1.00 0.00 C ATOM 116 C ASP A 10 7.981 8.786 9.984 1.00 0.00 C ATOM 117 O ASP A 10 7.939 9.601 10.904 1.00 0.00 O ATOM 118 CB ASP A 10 10.010 7.314 9.917 1.00 0.00 C ATOM 119 CG ASP A 10 10.821 8.229 10.813 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.973 7.914 12.011 1.00 0.00 O ATOM 121 OD2 ASP A 10 11.337 9.253 10.319 1.00 0.00 O ATOM 0 H ASP A 10 7.268 6.831 8.604 1.00 0.00 H new ATOM 0 HA ASP A 10 8.337 7.104 11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.361 6.289 10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.181 7.588 8.876 1.00 0.00 H new ATOM 126 N CYS A 11 7.566 9.063 8.752 1.00 0.00 N ATOM 127 CA CYS A 11 7.054 10.379 8.379 1.00 0.00 C ATOM 128 C CYS A 11 5.633 10.614 8.893 1.00 0.00 C ATOM 129 O CYS A 11 5.444 11.107 10.003 1.00 0.00 O ATOM 130 CB CYS A 11 7.084 10.518 6.867 1.00 0.00 C ATOM 131 SG CYS A 11 6.461 9.040 6.002 1.00 0.00 S ATOM 0 H CYS A 11 7.574 8.387 7.988 1.00 0.00 H new ATOM 0 HA CYS A 11 7.694 11.130 8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.486 11.382 6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.107 10.715 6.546 1.00 0.00 H new ATOM 136 N GLU A 12 4.631 10.250 8.084 1.00 0.00 N ATOM 137 CA GLU A 12 3.234 10.444 8.463 1.00 0.00 C ATOM 138 C GLU A 12 2.280 9.754 7.491 1.00 0.00 C ATOM 139 O GLU A 12 1.758 8.692 7.794 1.00 0.00 O ATOM 140 CB GLU A 12 2.903 11.938 8.545 1.00 0.00 C ATOM 141 CG GLU A 12 1.451 12.228 8.878 1.00 0.00 C ATOM 142 CD GLU A 12 1.186 13.705 9.039 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.138 14.424 8.020 1.00 0.00 O ATOM 144 OE2 GLU A 12 1.050 14.158 10.191 1.00 0.00 O ATOM 0 H GLU A 12 4.764 9.822 7.168 1.00 0.00 H new ATOM 0 HA GLU A 12 3.099 9.990 9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.538 12.400 9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.148 12.407 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.813 11.830 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.181 11.710 9.798 1.00 0.00 H new ATOM 151 N VAL A 13 2.069 10.346 6.317 1.00 0.00 N ATOM 152 CA VAL A 13 1.066 9.835 5.378 1.00 0.00 C ATOM 153 C VAL A 13 1.384 8.405 4.960 1.00 0.00 C ATOM 154 O VAL A 13 0.518 7.535 4.965 1.00 0.00 O ATOM 155 CB VAL A 13 0.946 10.721 4.121 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.206 10.265 3.239 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.768 12.174 4.518 1.00 0.00 C ATOM 0 H VAL A 13 2.572 11.172 5.993 1.00 0.00 H new ATOM 0 HA VAL A 13 0.111 9.853 5.904 1.00 0.00 H new ATOM 0 HB VAL A 13 1.867 10.624 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.268 10.907 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.038 9.235 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.139 10.326 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.685 12.789 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.137 12.280 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.629 12.500 5.102 1.00 0.00 H new ATOM 167 N CYS A 14 2.643 8.166 4.622 1.00 0.00 N ATOM 168 CA CYS A 14 3.090 6.833 4.244 1.00 0.00 C ATOM 169 C CYS A 14 2.953 5.869 5.427 1.00 0.00 C ATOM 170 O CYS A 14 2.735 4.671 5.246 1.00 0.00 O ATOM 171 CB CYS A 14 4.535 6.892 3.751 1.00 0.00 C ATOM 172 SG CYS A 14 5.179 5.319 3.110 1.00 0.00 S ATOM 0 H CYS A 14 3.373 8.878 4.602 1.00 0.00 H new ATOM 0 HA CYS A 14 2.462 6.462 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.607 7.646 2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.172 7.223 4.571 1.00 0.00 H new ATOM 177 N LYS A 15 3.059 6.408 6.643 1.00 0.00 N ATOM 178 CA LYS A 15 2.841 5.621 7.853 1.00 0.00 C ATOM 179 C LYS A 15 1.394 5.168 7.912 1.00 0.00 C ATOM 180 O LYS A 15 1.094 3.990 8.114 1.00 0.00 O ATOM 181 CB LYS A 15 3.134 6.447 9.106 1.00 0.00 C ATOM 182 CG LYS A 15 4.577 6.878 9.260 1.00 0.00 C ATOM 183 CD LYS A 15 4.744 7.822 10.439 1.00 0.00 C ATOM 184 CE LYS A 15 4.202 7.227 11.726 1.00 0.00 C ATOM 185 NZ LYS A 15 4.298 8.185 12.859 1.00 0.00 N ATOM 0 H LYS A 15 3.294 7.386 6.813 1.00 0.00 H new ATOM 0 HA LYS A 15 3.514 4.764 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.503 7.336 9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.848 5.866 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.209 6.001 9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.912 7.369 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.800 8.060 10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.229 8.760 10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.161 6.937 11.582 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.755 6.320 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.918 7.743 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.294 8.443 13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.749 9.040 12.638 1.00 0.00 H new ATOM 199 N GLU A 16 0.515 6.137 7.732 1.00 0.00 N ATOM 200 CA GLU A 16 -0.916 5.914 7.765 1.00 0.00 C ATOM 201 C GLU A 16 -1.304 4.822 6.782 1.00 0.00 C ATOM 202 O GLU A 16 -1.909 3.823 7.162 1.00 0.00 O ATOM 203 CB GLU A 16 -1.656 7.205 7.410 1.00 0.00 C ATOM 204 CG GLU A 16 -1.267 8.404 8.261 1.00 0.00 C ATOM 205 CD GLU A 16 -1.624 8.232 9.717 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.769 8.560 10.087 1.00 0.00 O ATOM 207 OE2 GLU A 16 -0.764 7.788 10.502 1.00 0.00 O ATOM 0 H GLU A 16 0.778 7.107 7.558 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.194 5.602 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.468 7.441 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.728 7.035 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.194 8.573 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.762 9.294 7.873 1.00 0.00 H new ATOM 214 N PHE A 17 -0.918 5.011 5.526 1.00 0.00 N ATOM 215 CA PHE A 17 -1.290 4.093 4.460 1.00 0.00 C ATOM 216 C PHE A 17 -0.811 2.672 4.748 1.00 0.00 C ATOM 217 O PHE A 17 -1.616 1.753 4.781 1.00 0.00 O ATOM 218 CB PHE A 17 -0.724 4.573 3.121 1.00 0.00 C ATOM 219 CG PHE A 17 -1.296 3.859 1.922 1.00 0.00 C ATOM 220 CD1 PHE A 17 -0.861 2.588 1.576 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.268 4.464 1.140 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.384 1.936 0.477 1.00 0.00 C ATOM 223 CE2 PHE A 17 -2.793 3.817 0.038 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.349 2.550 -0.293 1.00 0.00 C ATOM 0 H PHE A 17 -0.344 5.797 5.221 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.379 4.077 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.914 5.641 3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.358 4.441 3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.104 2.102 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.619 5.453 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.037 0.946 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.549 4.300 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.758 2.042 -1.154 1.00 0.00 H new ATOM 234 N LEU A 18 0.491 2.496 4.982 1.00 0.00 N ATOM 235 CA LEU A 18 1.062 1.157 5.126 1.00 0.00 C ATOM 236 C LEU A 18 0.471 0.403 6.315 1.00 0.00 C ATOM 237 O LEU A 18 0.056 -0.748 6.181 1.00 0.00 O ATOM 238 CB LEU A 18 2.587 1.222 5.260 1.00 0.00 C ATOM 239 CG LEU A 18 3.333 1.686 4.007 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.820 1.803 4.292 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.098 0.723 2.854 1.00 0.00 C ATOM 0 H LEU A 18 1.164 3.257 5.075 1.00 0.00 H new ATOM 0 HA LEU A 18 0.805 0.609 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.835 1.895 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.954 0.233 5.536 1.00 0.00 H new ATOM 0 HG LEU A 18 2.949 2.666 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.338 2.134 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.982 2.527 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.209 0.832 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.637 1.072 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.456 -0.269 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.032 0.675 2.631 1.00 0.00 H new ATOM 253 N ASN A 19 0.412 1.056 7.470 1.00 0.00 N ATOM 254 CA ASN A 19 -0.059 0.400 8.687 1.00 0.00 C ATOM 255 C ASN A 19 -1.557 0.117 8.602 1.00 0.00 C ATOM 256 O ASN A 19 -2.026 -0.958 8.975 1.00 0.00 O ATOM 257 CB ASN A 19 0.232 1.270 9.910 1.00 0.00 C ATOM 258 CG ASN A 19 0.065 0.518 11.219 1.00 0.00 C ATOM 259 OD1 ASN A 19 -0.422 1.072 12.204 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.501 -0.734 11.252 1.00 0.00 N ATOM 0 H ASN A 19 0.682 2.032 7.591 1.00 0.00 H new ATOM 0 HA ASN A 19 0.473 -0.546 8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.250 1.654 9.844 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.435 2.132 9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.439 -1.273 12.116 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.898 -1.158 10.414 1.00 0.00 H new ATOM 267 N ARG A 20 -2.298 1.094 8.103 1.00 0.00 N ATOM 268 CA ARG A 20 -3.741 0.975 7.960 1.00 0.00 C ATOM 269 C ARG A 20 -4.107 -0.010 6.851 1.00 0.00 C ATOM 270 O ARG A 20 -5.077 -0.751 6.977 1.00 0.00 O ATOM 271 CB ARG A 20 -4.342 2.353 7.692 1.00 0.00 C ATOM 272 CG ARG A 20 -5.842 2.367 7.481 1.00 0.00 C ATOM 273 CD ARG A 20 -6.367 3.792 7.505 1.00 0.00 C ATOM 274 NE ARG A 20 -5.614 4.672 6.610 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.311 5.937 6.899 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.783 6.501 8.005 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.565 6.652 6.068 1.00 0.00 N ATOM 0 H ARG A 20 -1.919 1.987 7.787 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.156 0.583 8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.102 3.007 8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.862 2.777 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.086 1.899 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.330 1.780 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.418 3.795 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.315 4.180 8.522 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.304 4.296 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.379 5.966 8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.549 7.470 8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.221 6.234 5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.335 7.620 6.293 1.00 0.00 H new ATOM 291 N PHE A 21 -3.332 -0.025 5.775 1.00 0.00 N ATOM 292 CA PHE A 21 -3.532 -1.000 4.705 1.00 0.00 C ATOM 293 C PHE A 21 -3.391 -2.405 5.274 1.00 0.00 C ATOM 294 O PHE A 21 -4.225 -3.275 5.026 1.00 0.00 O ATOM 295 CB PHE A 21 -2.515 -0.777 3.578 1.00 0.00 C ATOM 296 CG PHE A 21 -2.704 -1.664 2.378 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.611 -1.327 1.387 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.965 -2.828 2.234 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.779 -2.133 0.277 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.130 -3.638 1.127 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.038 -3.291 0.147 1.00 0.00 C ATOM 0 H PHE A 21 -2.561 0.624 5.618 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.532 -0.876 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.571 0.263 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.512 -0.934 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.194 -0.423 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.252 -3.105 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.489 -1.857 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.549 -4.543 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.169 -3.923 -0.719 1.00 0.00 H new ATOM 311 N TYR A 22 -2.346 -2.592 6.072 1.00 0.00 N ATOM 312 CA TYR A 22 -2.081 -3.866 6.728 1.00 0.00 C ATOM 313 C TYR A 22 -3.301 -4.361 7.499 1.00 0.00 C ATOM 314 O TYR A 22 -3.815 -5.448 7.244 1.00 0.00 O ATOM 315 CB TYR A 22 -0.911 -3.710 7.697 1.00 0.00 C ATOM 316 CG TYR A 22 0.349 -4.402 7.245 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.548 -5.752 7.505 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.339 -3.713 6.567 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.700 -6.393 7.100 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.493 -4.346 6.156 1.00 0.00 C ATOM 321 CZ TYR A 22 2.670 -5.685 6.424 1.00 0.00 C ATOM 322 OH TYR A 22 3.821 -6.318 6.021 1.00 0.00 O ATOM 0 H TYR A 22 -1.660 -1.866 6.282 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.840 -4.596 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.703 -2.649 7.833 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.202 -4.105 8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.212 -6.309 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.206 -2.662 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.841 -7.443 7.311 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.255 -3.794 5.626 1.00 0.00 H new ATOM 0 HH TYR A 22 3.701 -7.288 6.087 1.00 0.00 H new ATOM 332 N LYS A 23 -3.779 -3.535 8.417 1.00 0.00 N ATOM 333 CA LYS A 23 -4.879 -3.919 9.292 1.00 0.00 C ATOM 334 C LYS A 23 -6.197 -4.030 8.530 1.00 0.00 C ATOM 335 O LYS A 23 -7.096 -4.760 8.942 1.00 0.00 O ATOM 336 CB LYS A 23 -4.988 -2.938 10.469 1.00 0.00 C ATOM 337 CG LYS A 23 -5.025 -1.468 10.077 1.00 0.00 C ATOM 338 CD LYS A 23 -6.432 -1.002 9.724 1.00 0.00 C ATOM 339 CE LYS A 23 -7.345 -0.991 10.941 1.00 0.00 C ATOM 340 NZ LYS A 23 -8.746 -0.652 10.586 1.00 0.00 N ATOM 0 H LYS A 23 -3.423 -2.593 8.576 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.664 -4.911 9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.890 -3.171 11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.142 -3.100 11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.640 -0.865 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.365 -1.304 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.386 -0.001 9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.851 -1.658 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.320 -1.969 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.971 -0.270 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.332 -0.656 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.775 0.292 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.113 -1.354 9.913 1.00 0.00 H new ATOM 354 N SER A 24 -6.302 -3.315 7.420 1.00 0.00 N ATOM 355 CA SER A 24 -7.495 -3.380 6.585 1.00 0.00 C ATOM 356 C SER A 24 -7.623 -4.747 5.928 1.00 0.00 C ATOM 357 O SER A 24 -8.623 -5.437 6.112 1.00 0.00 O ATOM 358 CB SER A 24 -7.470 -2.283 5.516 1.00 0.00 C ATOM 359 OG SER A 24 -7.535 -0.995 6.103 1.00 0.00 O ATOM 0 H SER A 24 -5.578 -2.684 7.076 1.00 0.00 H new ATOM 0 HA SER A 24 -8.361 -3.221 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.560 -2.370 4.923 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.309 -2.417 4.833 1.00 0.00 H new ATOM 0 HG SER A 24 -6.631 -0.624 6.179 1.00 0.00 H new ATOM 365 N LEU A 25 -6.587 -5.150 5.199 1.00 0.00 N ATOM 366 CA LEU A 25 -6.594 -6.417 4.470 1.00 0.00 C ATOM 367 C LEU A 25 -6.757 -7.601 5.419 1.00 0.00 C ATOM 368 O LEU A 25 -7.481 -8.553 5.117 1.00 0.00 O ATOM 369 CB LEU A 25 -5.319 -6.553 3.637 1.00 0.00 C ATOM 370 CG LEU A 25 -5.353 -5.851 2.273 1.00 0.00 C ATOM 371 CD1 LEU A 25 -6.556 -6.305 1.466 1.00 0.00 C ATOM 372 CD2 LEU A 25 -5.375 -4.344 2.433 1.00 0.00 C ATOM 0 H LEU A 25 -5.725 -4.614 5.096 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.451 -6.419 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.484 -6.154 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.119 -7.613 3.478 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.445 -6.126 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.561 -5.795 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.502 -7.382 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.470 -6.064 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.399 -3.874 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.261 -4.051 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.481 -4.022 2.968 1.00 0.00 H new ATOM 384 N ILE A 26 -6.112 -7.529 6.577 1.00 0.00 N ATOM 385 CA ILE A 26 -6.236 -8.573 7.588 1.00 0.00 C ATOM 386 C ILE A 26 -7.665 -8.628 8.142 1.00 0.00 C ATOM 387 O ILE A 26 -8.198 -9.706 8.410 1.00 0.00 O ATOM 388 CB ILE A 26 -5.243 -8.359 8.756 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.803 -8.278 8.240 1.00 0.00 C ATOM 390 CG2 ILE A 26 -5.367 -9.478 9.780 1.00 0.00 C ATOM 391 CD1 ILE A 26 -3.321 -9.540 7.559 1.00 0.00 C ATOM 0 H ILE A 26 -5.497 -6.759 6.840 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.999 -9.518 7.100 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.493 -7.414 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.725 -7.447 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.141 -8.053 9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.660 -9.308 10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.381 -9.495 10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.149 -10.433 9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.293 -9.402 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.364 -10.372 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.958 -9.757 6.701 1.00 0.00 H new ATOM 403 N ASP A 27 -8.286 -7.461 8.296 1.00 0.00 N ATOM 404 CA ASP A 27 -9.651 -7.375 8.820 1.00 0.00 C ATOM 405 C ASP A 27 -10.665 -7.901 7.808 1.00 0.00 C ATOM 406 O ASP A 27 -11.561 -8.667 8.157 1.00 0.00 O ATOM 407 CB ASP A 27 -9.988 -5.931 9.201 1.00 0.00 C ATOM 408 CG ASP A 27 -11.428 -5.751 9.652 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.916 -6.571 10.457 1.00 0.00 O ATOM 410 OD2 ASP A 27 -12.069 -4.768 9.219 1.00 0.00 O ATOM 0 H ASP A 27 -7.867 -6.560 8.066 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.706 -7.999 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.321 -5.608 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.798 -5.283 8.346 1.00 0.00 H new ATOM 415 N ARG A 28 -10.512 -7.500 6.553 1.00 0.00 N ATOM 416 CA ARG A 28 -11.418 -7.943 5.497 1.00 0.00 C ATOM 417 C ARG A 28 -11.142 -9.397 5.099 1.00 0.00 C ATOM 418 O ARG A 28 -11.944 -10.027 4.408 1.00 0.00 O ATOM 419 CB ARG A 28 -11.365 -6.987 4.289 1.00 0.00 C ATOM 420 CG ARG A 28 -9.965 -6.637 3.821 1.00 0.00 C ATOM 421 CD ARG A 28 -9.927 -5.284 3.117 1.00 0.00 C ATOM 422 NE ARG A 28 -10.196 -5.372 1.681 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.969 -4.515 1.009 1.00 0.00 C ATOM 424 NH1 ARG A 28 -11.657 -3.576 1.650 1.00 0.00 N ATOM 425 NH2 ARG A 28 -11.062 -4.605 -0.309 1.00 0.00 N ATOM 0 H ARG A 28 -9.772 -6.871 6.240 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.435 -7.912 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.908 -7.440 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.888 -6.066 4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.289 -6.622 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.604 -7.410 3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.660 -4.622 3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.948 -4.830 3.269 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.766 -6.136 1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.598 -3.504 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.244 -2.927 1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.544 -5.328 -0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.652 -3.952 -0.824 1.00 0.00 H new ATOM 439 N GLY A 29 -9.999 -9.925 5.533 1.00 0.00 N ATOM 440 CA GLY A 29 -9.729 -11.346 5.393 1.00 0.00 C ATOM 441 C GLY A 29 -9.118 -11.686 4.057 1.00 0.00 C ATOM 442 O GLY A 29 -9.359 -12.756 3.496 1.00 0.00 O ATOM 0 H GLY A 29 -9.253 -9.392 5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.056 -11.665 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.657 -11.903 5.517 1.00 0.00 H new ATOM 446 N VAL A 30 -8.335 -10.761 3.548 1.00 0.00 N ATOM 447 CA VAL A 30 -7.684 -10.905 2.267 1.00 0.00 C ATOM 448 C VAL A 30 -6.291 -10.299 2.341 1.00 0.00 C ATOM 449 O VAL A 30 -6.151 -9.100 2.523 1.00 0.00 O ATOM 450 CB VAL A 30 -8.525 -10.221 1.159 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.454 -9.173 1.749 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.645 -9.573 0.109 1.00 0.00 C ATOM 0 H VAL A 30 -8.131 -9.879 4.018 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.597 -11.963 2.018 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.117 -11.003 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.032 -8.708 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.132 -9.646 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.865 -8.412 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.270 -9.104 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.015 -8.817 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.016 -10.331 -0.357 1.00 0.00 H new ATOM 462 N ASN A 31 -5.261 -11.128 2.251 1.00 0.00 N ATOM 463 CA ASN A 31 -3.896 -10.609 2.331 1.00 0.00 C ATOM 464 C ASN A 31 -2.833 -11.645 1.948 1.00 0.00 C ATOM 465 O ASN A 31 -1.649 -11.448 2.206 1.00 0.00 O ATOM 466 CB ASN A 31 -3.650 -10.120 3.756 1.00 0.00 C ATOM 467 CG ASN A 31 -2.701 -8.936 3.847 1.00 0.00 C ATOM 468 OD1 ASN A 31 -2.828 -8.097 4.736 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.744 -8.859 2.946 1.00 0.00 N ATOM 0 H ASN A 31 -5.335 -12.138 2.126 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.806 -9.796 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.604 -9.843 4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.247 -10.942 4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.079 -8.086 2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.667 -9.573 2.221 1.00 0.00 H new ATOM 476 N PHE A 32 -3.228 -12.733 1.306 1.00 0.00 N ATOM 477 CA PHE A 32 -2.282 -13.806 1.033 1.00 0.00 C ATOM 478 C PHE A 32 -2.231 -14.149 -0.451 1.00 0.00 C ATOM 479 O PHE A 32 -1.686 -15.179 -0.842 1.00 0.00 O ATOM 480 CB PHE A 32 -2.632 -15.045 1.859 1.00 0.00 C ATOM 481 CG PHE A 32 -2.558 -14.816 3.343 1.00 0.00 C ATOM 482 CD1 PHE A 32 -1.343 -14.875 4.006 1.00 0.00 C ATOM 483 CD2 PHE A 32 -3.702 -14.535 4.074 1.00 0.00 C ATOM 484 CE1 PHE A 32 -1.269 -14.660 5.369 1.00 0.00 C ATOM 485 CE2 PHE A 32 -3.635 -14.319 5.438 1.00 0.00 C ATOM 486 CZ PHE A 32 -2.417 -14.381 6.086 1.00 0.00 C ATOM 0 H PHE A 32 -4.177 -12.897 0.970 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.291 -13.456 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.639 -15.373 1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.954 -15.855 1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.442 -15.092 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.657 -14.484 3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.315 -14.710 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.534 -14.102 5.996 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.362 -14.212 7.151 1.00 0.00 H new ATOM 496 N SER A 33 -2.797 -13.283 -1.273 1.00 0.00 N ATOM 497 CA SER A 33 -2.740 -13.461 -2.719 1.00 0.00 C ATOM 498 C SER A 33 -2.092 -12.241 -3.369 1.00 0.00 C ATOM 499 O SER A 33 -2.542 -11.111 -3.176 1.00 0.00 O ATOM 500 CB SER A 33 -4.143 -13.688 -3.284 1.00 0.00 C ATOM 501 OG SER A 33 -4.756 -14.833 -2.712 1.00 0.00 O ATOM 0 H SER A 33 -3.301 -12.450 -0.968 1.00 0.00 H new ATOM 0 HA SER A 33 -2.135 -14.340 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.760 -12.810 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.086 -13.807 -4.366 1.00 0.00 H new ATOM 0 HG SER A 33 -5.652 -14.949 -3.093 1.00 0.00 H new ATOM 507 N LEU A 34 -1.036 -12.482 -4.139 1.00 0.00 N ATOM 508 CA LEU A 34 -0.216 -11.407 -4.696 1.00 0.00 C ATOM 509 C LEU A 34 -0.952 -10.600 -5.757 1.00 0.00 C ATOM 510 O LEU A 34 -0.806 -9.379 -5.824 1.00 0.00 O ATOM 511 CB LEU A 34 1.090 -11.959 -5.269 1.00 0.00 C ATOM 512 CG LEU A 34 2.232 -12.105 -4.260 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.448 -10.799 -3.523 1.00 0.00 C ATOM 514 CD2 LEU A 34 1.964 -13.229 -3.272 1.00 0.00 C ATOM 0 H LEU A 34 -0.725 -13.419 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 34 0.011 -10.731 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.890 -12.935 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.420 -11.304 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 34 3.136 -12.358 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.263 -10.915 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.701 -10.016 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.536 -10.525 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.796 -13.303 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.045 -13.020 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.859 -14.170 -3.811 1.00 0.00 H new ATOM 526 N ASP A 35 -1.740 -11.270 -6.583 1.00 0.00 N ATOM 527 CA ASP A 35 -2.532 -10.575 -7.594 1.00 0.00 C ATOM 528 C ASP A 35 -3.721 -9.898 -6.939 1.00 0.00 C ATOM 529 O ASP A 35 -4.364 -9.028 -7.522 1.00 0.00 O ATOM 530 CB ASP A 35 -3.015 -11.537 -8.681 1.00 0.00 C ATOM 531 CG ASP A 35 -1.881 -12.058 -9.535 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.517 -11.384 -10.525 1.00 0.00 O ATOM 533 OD2 ASP A 35 -1.350 -13.146 -9.224 1.00 0.00 O ATOM 0 H ASP A 35 -1.850 -12.284 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.897 -9.825 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.531 -12.377 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.741 -11.029 -9.316 1.00 0.00 H new ATOM 538 N THR A 36 -4.002 -10.308 -5.715 1.00 0.00 N ATOM 539 CA THR A 36 -5.078 -9.725 -4.946 1.00 0.00 C ATOM 540 C THR A 36 -4.619 -8.459 -4.243 1.00 0.00 C ATOM 541 O THR A 36 -5.281 -7.434 -4.338 1.00 0.00 O ATOM 542 CB THR A 36 -5.643 -10.738 -3.931 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.293 -11.806 -4.631 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.621 -10.087 -2.969 1.00 0.00 C ATOM 0 H THR A 36 -3.493 -11.049 -5.232 1.00 0.00 H new ATOM 0 HA THR A 36 -5.877 -9.458 -5.638 1.00 0.00 H new ATOM 0 HB THR A 36 -4.810 -11.126 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.786 -12.363 -3.993 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.996 -10.835 -2.270 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.115 -9.295 -2.416 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.455 -9.663 -3.529 1.00 0.00 H new ATOM 552 N ILE A 37 -3.474 -8.513 -3.569 1.00 0.00 N ATOM 553 CA ILE A 37 -2.927 -7.322 -2.929 1.00 0.00 C ATOM 554 C ILE A 37 -2.687 -6.252 -3.990 1.00 0.00 C ATOM 555 O ILE A 37 -2.787 -5.057 -3.722 1.00 0.00 O ATOM 556 CB ILE A 37 -1.607 -7.615 -2.175 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.781 -8.791 -1.207 1.00 0.00 C ATOM 558 CG2 ILE A 37 -1.134 -6.380 -1.418 1.00 0.00 C ATOM 559 CD1 ILE A 37 -2.944 -8.636 -0.252 1.00 0.00 C ATOM 0 H ILE A 37 -2.913 -9.357 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.651 -6.975 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.852 -7.883 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.917 -9.706 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.864 -8.912 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.205 -6.607 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.964 -5.565 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.894 -6.083 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.999 -9.509 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.801 -7.741 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.871 -8.547 -0.819 1.00 0.00 H new ATOM 571 N GLU A 38 -2.403 -6.711 -5.204 1.00 0.00 N ATOM 572 CA GLU A 38 -2.232 -5.833 -6.351 1.00 0.00 C ATOM 573 C GLU A 38 -3.501 -5.019 -6.605 1.00 0.00 C ATOM 574 O GLU A 38 -3.443 -3.816 -6.854 1.00 0.00 O ATOM 575 CB GLU A 38 -1.878 -6.666 -7.586 1.00 0.00 C ATOM 576 CG GLU A 38 -1.485 -5.846 -8.803 1.00 0.00 C ATOM 577 CD GLU A 38 -1.173 -6.713 -10.005 1.00 0.00 C ATOM 578 OE1 GLU A 38 -0.116 -7.381 -10.006 1.00 0.00 O ATOM 579 OE2 GLU A 38 -1.989 -6.741 -10.952 1.00 0.00 O ATOM 0 H GLU A 38 -2.285 -7.701 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.420 -5.136 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.057 -7.337 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.732 -7.292 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.295 -5.160 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.614 -5.237 -8.562 1.00 0.00 H new ATOM 586 N LYS A 39 -4.645 -5.682 -6.518 1.00 0.00 N ATOM 587 CA LYS A 39 -5.925 -5.033 -6.764 1.00 0.00 C ATOM 588 C LYS A 39 -6.426 -4.316 -5.516 1.00 0.00 C ATOM 589 O LYS A 39 -7.047 -3.261 -5.604 1.00 0.00 O ATOM 590 CB LYS A 39 -6.959 -6.057 -7.228 1.00 0.00 C ATOM 591 CG LYS A 39 -6.590 -6.748 -8.530 1.00 0.00 C ATOM 592 CD LYS A 39 -6.397 -5.754 -9.664 1.00 0.00 C ATOM 593 CE LYS A 39 -7.673 -4.984 -9.972 1.00 0.00 C ATOM 594 NZ LYS A 39 -8.785 -5.883 -10.376 1.00 0.00 N ATOM 0 H LYS A 39 -4.713 -6.671 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.780 -4.292 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.086 -6.810 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.921 -5.559 -7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.674 -7.321 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.372 -7.458 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.605 -5.053 -9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.069 -6.284 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.971 -4.411 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.479 -4.267 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.571 -5.315 -10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.451 -6.541 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.113 -6.422 -9.550 1.00 0.00 H new ATOM 608 N GLU A 40 -6.146 -4.886 -4.356 1.00 0.00 N ATOM 609 CA GLU A 40 -6.563 -4.294 -3.092 1.00 0.00 C ATOM 610 C GLU A 40 -5.833 -2.975 -2.859 1.00 0.00 C ATOM 611 O GLU A 40 -6.395 -2.046 -2.289 1.00 0.00 O ATOM 612 CB GLU A 40 -6.321 -5.253 -1.927 1.00 0.00 C ATOM 613 CG GLU A 40 -7.095 -6.560 -2.037 1.00 0.00 C ATOM 614 CD GLU A 40 -8.599 -6.366 -2.094 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.140 -6.175 -3.205 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.257 -6.425 -1.033 1.00 0.00 O ATOM 0 H GLU A 40 -5.630 -5.761 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.634 -4.098 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.256 -5.476 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.595 -4.756 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.770 -7.092 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.850 -7.192 -1.184 1.00 0.00 H new ATOM 623 N LEU A 41 -4.582 -2.895 -3.314 1.00 0.00 N ATOM 624 CA LEU A 41 -3.849 -1.632 -3.312 1.00 0.00 C ATOM 625 C LEU A 41 -4.589 -0.604 -4.155 1.00 0.00 C ATOM 626 O LEU A 41 -4.597 0.586 -3.844 1.00 0.00 O ATOM 627 CB LEU A 41 -2.428 -1.824 -3.856 1.00 0.00 C ATOM 628 CG LEU A 41 -1.371 -2.217 -2.821 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.074 -2.602 -3.512 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.126 -1.070 -1.851 1.00 0.00 C ATOM 0 H LEU A 41 -4.058 -3.687 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.779 -1.277 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.455 -2.591 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.114 -0.897 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.739 -3.076 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.669 -2.879 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.253 -3.447 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.294 -1.756 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.372 -1.365 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.776 -0.197 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.054 -0.826 -1.335 1.00 0.00 H new ATOM 642 N ILE A 42 -5.228 -1.082 -5.213 1.00 0.00 N ATOM 643 CA ILE A 42 -6.013 -0.235 -6.093 1.00 0.00 C ATOM 644 C ILE A 42 -7.313 0.178 -5.407 1.00 0.00 C ATOM 645 O ILE A 42 -7.637 1.363 -5.330 1.00 0.00 O ATOM 646 CB ILE A 42 -6.331 -0.961 -7.418 1.00 0.00 C ATOM 647 CG1 ILE A 42 -5.039 -1.259 -8.183 1.00 0.00 C ATOM 648 CG2 ILE A 42 -7.288 -0.143 -8.269 1.00 0.00 C ATOM 649 CD1 ILE A 42 -5.254 -2.044 -9.457 1.00 0.00 C ATOM 0 H ILE A 42 -5.216 -2.065 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.426 0.655 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.819 -1.907 -7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.546 -0.318 -8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.363 -1.815 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.496 -0.676 -9.197 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.219 0.012 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.837 0.822 -8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.294 -2.217 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.719 -3.001 -9.221 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.904 -1.481 -10.126 1.00 0.00 H new ATOM 661 N SER A 43 -8.037 -0.810 -4.894 1.00 0.00 N ATOM 662 CA SER A 43 -9.298 -0.569 -4.208 1.00 0.00 C ATOM 663 C SER A 43 -9.095 0.359 -3.013 1.00 0.00 C ATOM 664 O SER A 43 -9.829 1.328 -2.840 1.00 0.00 O ATOM 665 CB SER A 43 -9.916 -1.896 -3.751 1.00 0.00 C ATOM 666 OG SER A 43 -11.171 -1.691 -3.118 1.00 0.00 O ATOM 0 H SER A 43 -7.768 -1.793 -4.942 1.00 0.00 H new ATOM 0 HA SER A 43 -9.981 -0.085 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.043 -2.555 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.237 -2.398 -3.062 1.00 0.00 H new ATOM 0 HG SER A 43 -11.541 -2.554 -2.839 1.00 0.00 H new ATOM 672 N PHE A 44 -8.075 0.074 -2.213 1.00 0.00 N ATOM 673 CA PHE A 44 -7.782 0.866 -1.026 1.00 0.00 C ATOM 674 C PHE A 44 -7.367 2.276 -1.429 1.00 0.00 C ATOM 675 O PHE A 44 -7.699 3.248 -0.754 1.00 0.00 O ATOM 676 CB PHE A 44 -6.676 0.199 -0.201 1.00 0.00 C ATOM 677 CG PHE A 44 -6.474 0.802 1.162 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.289 0.434 2.221 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.469 1.728 1.386 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.105 0.980 3.477 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.278 2.276 2.640 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.098 1.902 3.687 1.00 0.00 C ATOM 0 H PHE A 44 -7.434 -0.704 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.681 0.927 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.912 -0.859 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.739 0.259 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.077 -0.288 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.827 2.026 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.748 0.686 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.489 2.996 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.952 2.330 4.668 1.00 0.00 H new ATOM 692 N CYS A 45 -6.657 2.378 -2.546 1.00 0.00 N ATOM 693 CA CYS A 45 -6.249 3.671 -3.082 1.00 0.00 C ATOM 694 C CYS A 45 -7.461 4.487 -3.512 1.00 0.00 C ATOM 695 O CYS A 45 -7.454 5.705 -3.428 1.00 0.00 O ATOM 696 CB CYS A 45 -5.305 3.490 -4.273 1.00 0.00 C ATOM 697 SG CYS A 45 -4.918 5.039 -5.151 1.00 0.00 S ATOM 0 H CYS A 45 -6.351 1.578 -3.100 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.725 4.207 -2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.376 3.041 -3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.753 2.788 -4.976 1.00 0.00 H new ATOM 702 N LEU A 46 -8.491 3.812 -3.992 1.00 0.00 N ATOM 703 CA LEU A 46 -9.707 4.481 -4.436 1.00 0.00 C ATOM 704 C LEU A 46 -10.678 4.688 -3.270 1.00 0.00 C ATOM 705 O LEU A 46 -11.615 5.482 -3.354 1.00 0.00 O ATOM 706 CB LEU A 46 -10.357 3.654 -5.544 1.00 0.00 C ATOM 707 CG LEU A 46 -11.573 4.289 -6.222 1.00 0.00 C ATOM 708 CD1 LEU A 46 -11.176 5.550 -6.973 1.00 0.00 C ATOM 709 CD2 LEU A 46 -12.234 3.291 -7.160 1.00 0.00 C ATOM 0 H LEU A 46 -8.512 2.797 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.451 5.467 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.606 3.448 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.658 2.694 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.291 4.568 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.057 5.984 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.748 6.270 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.438 5.302 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.098 3.756 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.521 2.983 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.558 2.418 -6.593 1.00 0.00 H new ATOM 721 N ASP A 47 -10.436 3.972 -2.184 1.00 0.00 N ATOM 722 CA ASP A 47 -11.324 3.989 -1.024 1.00 0.00 C ATOM 723 C ASP A 47 -10.908 5.073 -0.035 1.00 0.00 C ATOM 724 O ASP A 47 -11.674 5.462 0.847 1.00 0.00 O ATOM 725 CB ASP A 47 -11.291 2.614 -0.347 1.00 0.00 C ATOM 726 CG ASP A 47 -12.258 2.488 0.809 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.436 2.147 0.572 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.844 2.716 1.965 1.00 0.00 O ATOM 0 H ASP A 47 -9.624 3.364 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.338 4.211 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.520 1.848 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.280 2.419 0.012 1.00 0.00 H new ATOM 733 N THR A 48 -9.701 5.576 -0.214 1.00 0.00 N ATOM 734 CA THR A 48 -9.104 6.514 0.719 1.00 0.00 C ATOM 735 C THR A 48 -9.370 7.968 0.338 1.00 0.00 C ATOM 736 O THR A 48 -10.171 8.248 -0.557 1.00 0.00 O ATOM 737 CB THR A 48 -7.594 6.279 0.776 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.130 5.832 -0.504 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.242 5.254 1.839 1.00 0.00 C ATOM 0 H THR A 48 -9.106 5.346 -1.010 1.00 0.00 H new ATOM 0 HA THR A 48 -9.562 6.340 1.693 1.00 0.00 H new ATOM 0 HB THR A 48 -7.107 7.219 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.259 4.863 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.162 5.106 1.858 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.577 5.610 2.813 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.734 4.309 1.610 1.00 0.00 H new ATOM 747 N LYS A 49 -8.688 8.885 1.018 1.00 0.00 N ATOM 748 CA LYS A 49 -8.802 10.310 0.729 1.00 0.00 C ATOM 749 C LYS A 49 -7.705 10.759 -0.217 1.00 0.00 C ATOM 750 O LYS A 49 -6.786 10.000 -0.499 1.00 0.00 O ATOM 751 CB LYS A 49 -8.723 11.124 2.019 1.00 0.00 C ATOM 752 CG LYS A 49 -9.713 10.682 3.082 1.00 0.00 C ATOM 753 CD LYS A 49 -9.464 11.394 4.402 1.00 0.00 C ATOM 754 CE LYS A 49 -10.494 11.010 5.452 1.00 0.00 C ATOM 755 NZ LYS A 49 -11.867 11.443 5.075 1.00 0.00 N ATOM 0 H LYS A 49 -8.046 8.663 1.779 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.769 10.478 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.713 11.051 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.898 12.174 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.729 10.886 2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.636 9.605 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.466 11.149 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.490 12.472 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.481 9.929 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.222 11.459 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.491 11.379 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.840 12.426 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.230 10.827 4.320 1.00 0.00 H new ATOM 769 N GLY A 50 -7.790 12.013 -0.653 1.00 0.00 N ATOM 770 CA GLY A 50 -6.958 12.513 -1.737 1.00 0.00 C ATOM 771 C GLY A 50 -5.479 12.217 -1.587 1.00 0.00 C ATOM 772 O GLY A 50 -4.851 11.722 -2.522 1.00 0.00 O ATOM 0 H GLY A 50 -8.433 12.704 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.308 12.081 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.093 13.592 -1.813 1.00 0.00 H new ATOM 776 N LYS A 51 -4.918 12.507 -0.422 1.00 0.00 N ATOM 777 CA LYS A 51 -3.498 12.268 -0.195 1.00 0.00 C ATOM 778 C LYS A 51 -3.164 10.787 -0.318 1.00 0.00 C ATOM 779 O LYS A 51 -2.156 10.420 -0.914 1.00 0.00 O ATOM 780 CB LYS A 51 -3.062 12.802 1.167 1.00 0.00 C ATOM 781 CG LYS A 51 -2.355 14.145 1.090 1.00 0.00 C ATOM 782 CD LYS A 51 -3.245 15.223 0.495 1.00 0.00 C ATOM 783 CE LYS A 51 -2.462 16.497 0.231 1.00 0.00 C ATOM 784 NZ LYS A 51 -3.328 17.587 -0.286 1.00 0.00 N ATOM 0 H LYS A 51 -5.417 12.904 0.374 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.947 12.807 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.938 12.897 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.398 12.077 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.039 14.446 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.453 14.046 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.684 14.863 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.070 15.434 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.980 16.823 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.669 16.292 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.753 18.438 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.768 17.287 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.070 17.801 0.411 1.00 0.00 H new ATOM 798 N GLU A 52 -4.028 9.948 0.222 1.00 0.00 N ATOM 799 CA GLU A 52 -3.850 8.506 0.138 1.00 0.00 C ATOM 800 C GLU A 52 -4.037 8.034 -1.305 1.00 0.00 C ATOM 801 O GLU A 52 -3.302 7.170 -1.791 1.00 0.00 O ATOM 802 CB GLU A 52 -4.866 7.806 1.029 1.00 0.00 C ATOM 803 CG GLU A 52 -4.773 8.168 2.499 1.00 0.00 C ATOM 804 CD GLU A 52 -3.626 7.478 3.198 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.788 6.300 3.586 1.00 0.00 O ATOM 806 OE2 GLU A 52 -2.581 8.123 3.398 1.00 0.00 O ATOM 0 H GLU A 52 -4.865 10.240 0.727 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.841 8.260 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.868 8.045 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.739 6.728 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.656 9.247 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.707 7.903 2.994 1.00 0.00 H new ATOM 813 N ASN A 53 -5.033 8.616 -1.984 1.00 0.00 N ATOM 814 CA ASN A 53 -5.319 8.286 -3.380 1.00 0.00 C ATOM 815 C ASN A 53 -4.090 8.582 -4.235 1.00 0.00 C ATOM 816 O ASN A 53 -3.789 7.868 -5.188 1.00 0.00 O ATOM 817 CB ASN A 53 -6.512 9.088 -3.944 1.00 0.00 C ATOM 818 CG ASN A 53 -7.766 9.086 -3.088 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.525 10.057 -3.095 1.00 0.00 O ATOM 820 ND2 ASN A 53 -8.018 8.010 -2.376 1.00 0.00 N ATOM 0 H ASN A 53 -5.654 9.320 -1.585 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.576 7.227 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.196 10.121 -4.091 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.763 8.689 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.863 7.961 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.369 7.224 -2.393 1.00 0.00 H new ATOM 827 N ARG A 54 -3.386 9.649 -3.889 1.00 0.00 N ATOM 828 CA ARG A 54 -2.164 10.015 -4.588 1.00 0.00 C ATOM 829 C ARG A 54 -1.004 9.131 -4.142 1.00 0.00 C ATOM 830 O ARG A 54 -0.164 8.732 -4.950 1.00 0.00 O ATOM 831 CB ARG A 54 -1.822 11.485 -4.327 1.00 0.00 C ATOM 832 CG ARG A 54 -0.573 11.959 -5.049 1.00 0.00 C ATOM 833 CD ARG A 54 -0.772 11.935 -6.554 1.00 0.00 C ATOM 834 NE ARG A 54 -1.852 12.824 -6.970 1.00 0.00 N ATOM 835 CZ ARG A 54 -2.670 12.582 -7.992 1.00 0.00 C ATOM 836 NH1 ARG A 54 -2.529 11.480 -8.719 1.00 0.00 N ATOM 837 NH2 ARG A 54 -3.630 13.447 -8.290 1.00 0.00 N ATOM 0 H ARG A 54 -3.641 10.277 -3.127 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.327 9.870 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.665 12.105 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.690 11.633 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.325 12.970 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.270 11.323 -4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.153 12.231 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.994 10.917 -6.876 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.989 13.687 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.791 10.813 -8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.159 11.301 -9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.741 14.296 -7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.257 13.263 -9.073 1.00 0.00 H new ATOM 851 N LEU A 55 -0.981 8.816 -2.855 1.00 0.00 N ATOM 852 CA LEU A 55 0.125 8.083 -2.252 1.00 0.00 C ATOM 853 C LEU A 55 0.268 6.678 -2.831 1.00 0.00 C ATOM 854 O LEU A 55 1.372 6.143 -2.889 1.00 0.00 O ATOM 855 CB LEU A 55 -0.061 8.007 -0.736 1.00 0.00 C ATOM 856 CG LEU A 55 1.074 7.327 0.024 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.382 8.075 -0.179 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.730 7.241 1.496 1.00 0.00 C ATOM 0 H LEU A 55 -1.725 9.060 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 55 1.041 8.627 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.181 9.019 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.988 7.474 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 55 1.201 6.317 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.177 7.573 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.630 8.092 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.277 9.097 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.545 6.754 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.582 8.245 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.185 6.662 1.623 1.00 0.00 H new ATOM 870 N CYS A 56 -0.834 6.084 -3.271 1.00 0.00 N ATOM 871 CA CYS A 56 -0.783 4.733 -3.821 1.00 0.00 C ATOM 872 C CYS A 56 0.069 4.696 -5.090 1.00 0.00 C ATOM 873 O CYS A 56 0.666 3.672 -5.415 1.00 0.00 O ATOM 874 CB CYS A 56 -2.189 4.200 -4.111 1.00 0.00 C ATOM 875 SG CYS A 56 -2.951 4.876 -5.622 1.00 0.00 S ATOM 0 H CYS A 56 -1.762 6.508 -3.259 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.322 4.088 -3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.143 3.114 -4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.833 4.426 -3.261 1.00 0.00 H new ATOM 880 N TYR A 57 0.140 5.824 -5.790 1.00 0.00 N ATOM 881 CA TYR A 57 1.006 5.941 -6.957 1.00 0.00 C ATOM 882 C TYR A 57 2.465 5.815 -6.543 1.00 0.00 C ATOM 883 O TYR A 57 3.307 5.334 -7.302 1.00 0.00 O ATOM 884 CB TYR A 57 0.779 7.283 -7.660 1.00 0.00 C ATOM 885 CG TYR A 57 -0.160 7.207 -8.840 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.490 6.845 -8.679 1.00 0.00 C ATOM 887 CD2 TYR A 57 0.294 7.491 -10.121 1.00 0.00 C ATOM 888 CE1 TYR A 57 -2.343 6.772 -9.763 1.00 0.00 C ATOM 889 CE2 TYR A 57 -0.551 7.419 -11.206 1.00 0.00 C ATOM 890 CZ TYR A 57 -1.868 7.060 -11.025 1.00 0.00 C ATOM 891 OH TYR A 57 -2.710 6.984 -12.113 1.00 0.00 O ATOM 0 H TYR A 57 -0.390 6.667 -5.570 1.00 0.00 H new ATOM 0 HA TYR A 57 0.761 5.136 -7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.382 7.997 -6.938 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.740 7.672 -7.998 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.864 6.617 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.326 7.773 -10.269 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.376 6.491 -9.623 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.182 7.643 -12.196 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.179 6.925 -12.934 1.00 0.00 H new ATOM 901 N TYR A 58 2.752 6.251 -5.328 1.00 0.00 N ATOM 902 CA TYR A 58 4.101 6.207 -4.796 1.00 0.00 C ATOM 903 C TYR A 58 4.405 4.864 -4.142 1.00 0.00 C ATOM 904 O TYR A 58 5.565 4.477 -4.014 1.00 0.00 O ATOM 905 CB TYR A 58 4.311 7.332 -3.786 1.00 0.00 C ATOM 906 CG TYR A 58 4.248 8.721 -4.383 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.298 9.220 -5.142 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.140 9.534 -4.183 1.00 0.00 C ATOM 909 CE1 TYR A 58 5.247 10.490 -5.685 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.081 10.804 -4.722 1.00 0.00 C ATOM 911 CZ TYR A 58 4.137 11.277 -5.471 1.00 0.00 C ATOM 912 OH TYR A 58 4.082 12.544 -6.009 1.00 0.00 O ATOM 0 H TYR A 58 2.061 6.642 -4.688 1.00 0.00 H new ATOM 0 HA TYR A 58 4.787 6.338 -5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.555 7.250 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.281 7.198 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.170 8.605 -5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.311 9.167 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.072 10.863 -6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.212 11.424 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 58 3.232 12.966 -5.766 1.00 0.00 H new ATOM 922 N LEU A 59 3.362 4.155 -3.735 1.00 0.00 N ATOM 923 CA LEU A 59 3.530 2.899 -3.015 1.00 0.00 C ATOM 924 C LEU A 59 3.203 1.698 -3.891 1.00 0.00 C ATOM 925 O LEU A 59 2.750 0.666 -3.402 1.00 0.00 O ATOM 926 CB LEU A 59 2.664 2.883 -1.756 1.00 0.00 C ATOM 927 CG LEU A 59 3.056 3.905 -0.689 1.00 0.00 C ATOM 928 CD1 LEU A 59 2.117 3.815 0.498 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.496 3.691 -0.247 1.00 0.00 C ATOM 0 H LEU A 59 2.391 4.427 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 59 4.579 2.826 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.628 3.060 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.707 1.887 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 59 2.975 4.903 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.409 4.549 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.097 4.017 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.169 2.815 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.757 4.428 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.604 2.689 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.160 3.803 -1.104 1.00 0.00 H new ATOM 941 N GLY A 60 3.425 1.855 -5.191 1.00 0.00 N ATOM 942 CA GLY A 60 3.283 0.748 -6.118 1.00 0.00 C ATOM 943 C GLY A 60 1.873 0.204 -6.197 1.00 0.00 C ATOM 944 O GLY A 60 1.630 -0.952 -5.860 1.00 0.00 O ATOM 0 H GLY A 60 3.703 2.737 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.595 1.073 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.957 -0.055 -5.819 1.00 0.00 H new ATOM 948 N ALA A 61 0.945 1.031 -6.641 1.00 0.00 N ATOM 949 CA ALA A 61 -0.425 0.599 -6.835 1.00 0.00 C ATOM 950 C ALA A 61 -0.956 1.115 -8.161 1.00 0.00 C ATOM 951 O ALA A 61 -0.251 1.831 -8.867 1.00 0.00 O ATOM 952 CB ALA A 61 -1.300 1.073 -5.686 1.00 0.00 C ATOM 0 H ALA A 61 1.117 2.009 -6.875 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.448 -0.491 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.325 0.740 -5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.927 0.658 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.276 2.162 -5.635 1.00 0.00 H new ATOM 958 N THR A 62 -2.199 0.737 -8.473 1.00 0.00 N ATOM 959 CA THR A 62 -2.899 1.115 -9.711 1.00 0.00 C ATOM 960 C THR A 62 -2.202 0.572 -10.962 1.00 0.00 C ATOM 961 O THR A 62 -0.980 0.421 -11.010 1.00 0.00 O ATOM 962 CB THR A 62 -3.118 2.647 -9.853 1.00 0.00 C ATOM 963 OG1 THR A 62 -1.880 3.342 -10.034 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.839 3.203 -8.633 1.00 0.00 C ATOM 0 H THR A 62 -2.762 0.147 -7.861 1.00 0.00 H new ATOM 0 HA THR A 62 -3.881 0.649 -9.628 1.00 0.00 H new ATOM 0 HB THR A 62 -3.733 2.803 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.135 2.713 -9.940 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.982 4.277 -8.753 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.809 2.717 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.243 3.014 -7.740 1.00 0.00 H new ATOM 972 N LYS A 63 -2.995 0.271 -11.979 1.00 0.00 N ATOM 973 CA LYS A 63 -2.467 -0.265 -13.227 1.00 0.00 C ATOM 974 C LYS A 63 -2.010 0.882 -14.125 1.00 0.00 C ATOM 975 O LYS A 63 -2.470 1.024 -15.262 1.00 0.00 O ATOM 976 CB LYS A 63 -3.535 -1.107 -13.939 1.00 0.00 C ATOM 977 CG LYS A 63 -4.216 -2.131 -13.037 1.00 0.00 C ATOM 978 CD LYS A 63 -3.250 -3.204 -12.547 1.00 0.00 C ATOM 979 CE LYS A 63 -2.886 -4.192 -13.647 1.00 0.00 C ATOM 980 NZ LYS A 63 -1.898 -5.202 -13.178 1.00 0.00 N ATOM 0 H LYS A 63 -4.008 0.389 -11.966 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.614 -0.907 -13.007 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.292 -0.441 -14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.074 -1.627 -14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.655 -1.621 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.035 -2.603 -13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.343 -2.730 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.699 -3.741 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.787 -4.698 -13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.476 -3.651 -14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.840 -5.978 -13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.964 -4.755 -13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.199 -5.580 -12.257 1.00 0.00 H new ATOM 994 N ASP A 64 -1.111 1.705 -13.596 1.00 0.00 N ATOM 995 CA ASP A 64 -0.643 2.898 -14.297 1.00 0.00 C ATOM 996 C ASP A 64 0.650 3.426 -13.683 1.00 0.00 C ATOM 997 O ASP A 64 1.530 3.915 -14.392 1.00 0.00 O ATOM 998 CB ASP A 64 -1.720 3.993 -14.264 1.00 0.00 C ATOM 999 CG ASP A 64 -1.255 5.306 -14.873 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -1.012 5.352 -16.096 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -1.137 6.304 -14.131 1.00 0.00 O ATOM 0 H ASP A 64 -0.689 1.567 -12.678 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.444 2.621 -15.332 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.602 3.643 -14.800 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.023 4.166 -13.231 1.00 0.00 H new ATOM 1006 N ALA A 65 0.770 3.314 -12.365 1.00 0.00 N ATOM 1007 CA ALA A 65 1.914 3.874 -11.656 1.00 0.00 C ATOM 1008 C ALA A 65 3.127 2.951 -11.693 1.00 0.00 C ATOM 1009 O ALA A 65 3.139 1.963 -12.433 1.00 0.00 O ATOM 1010 CB ALA A 65 1.538 4.195 -10.219 1.00 0.00 C ATOM 0 H ALA A 65 0.091 2.842 -11.768 1.00 0.00 H new ATOM 0 HA ALA A 65 2.194 4.794 -12.170 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.402 4.612 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.724 4.920 -10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.218 3.283 -9.714 1.00 0.00 H new ATOM 1016 N ALA A 66 4.147 3.302 -10.900 1.00 0.00 N ATOM 1017 CA ALA A 66 5.384 2.526 -10.801 1.00 0.00 C ATOM 1018 C ALA A 66 5.087 1.047 -10.599 1.00 0.00 C ATOM 1019 O ALA A 66 4.754 0.604 -9.499 1.00 0.00 O ATOM 1020 CB ALA A 66 6.238 3.059 -9.665 1.00 0.00 C ATOM 0 H ALA A 66 4.135 4.133 -10.309 1.00 0.00 H new ATOM 0 HA ALA A 66 5.933 2.630 -11.737 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.157 2.477 -9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.483 4.104 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.688 2.979 -8.728 1.00 0.00 H new ATOM 1026 N THR A 67 5.210 0.290 -11.673 1.00 0.00 N ATOM 1027 CA THR A 67 4.749 -1.082 -11.689 1.00 0.00 C ATOM 1028 C THR A 67 5.801 -2.052 -11.156 1.00 0.00 C ATOM 1029 O THR A 67 5.488 -3.194 -10.820 1.00 0.00 O ATOM 1030 CB THR A 67 4.342 -1.479 -13.114 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.970 -0.301 -13.848 1.00 0.00 O ATOM 1032 CG2 THR A 67 3.163 -2.431 -13.082 1.00 0.00 C ATOM 0 H THR A 67 5.627 0.606 -12.549 1.00 0.00 H new ATOM 0 HA THR A 67 3.885 -1.145 -11.027 1.00 0.00 H new ATOM 0 HB THR A 67 5.187 -1.972 -13.595 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.612 0.370 -13.230 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.887 -2.703 -14.101 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.436 -3.329 -12.528 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.317 -1.947 -12.594 1.00 0.00 H new ATOM 1040 N LYS A 68 7.043 -1.599 -11.060 1.00 0.00 N ATOM 1041 CA LYS A 68 8.125 -2.454 -10.590 1.00 0.00 C ATOM 1042 C LYS A 68 8.082 -2.545 -9.070 1.00 0.00 C ATOM 1043 O LYS A 68 8.163 -3.631 -8.500 1.00 0.00 O ATOM 1044 CB LYS A 68 9.479 -1.909 -11.065 1.00 0.00 C ATOM 1045 CG LYS A 68 10.615 -2.928 -11.070 1.00 0.00 C ATOM 1046 CD LYS A 68 11.062 -3.312 -9.667 1.00 0.00 C ATOM 1047 CE LYS A 68 12.250 -4.260 -9.699 1.00 0.00 C ATOM 1048 NZ LYS A 68 13.455 -3.621 -10.288 1.00 0.00 N ATOM 0 H LYS A 68 7.326 -0.649 -11.300 1.00 0.00 H new ATOM 0 HA LYS A 68 7.999 -3.454 -11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.361 -1.513 -12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.763 -1.073 -10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.293 -3.823 -11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.463 -2.518 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.328 -2.413 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.234 -3.783 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.475 -4.594 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.991 -5.147 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.295 -4.193 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.344 -3.556 -11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.571 -2.667 -9.891 1.00 0.00 H new ATOM 1062 N ILE A 69 7.928 -1.401 -8.417 1.00 0.00 N ATOM 1063 CA ILE A 69 7.873 -1.357 -6.959 1.00 0.00 C ATOM 1064 C ILE A 69 6.585 -1.980 -6.454 1.00 0.00 C ATOM 1065 O ILE A 69 6.454 -2.288 -5.271 1.00 0.00 O ATOM 1066 CB ILE A 69 7.981 0.080 -6.423 1.00 0.00 C ATOM 1067 CG1 ILE A 69 6.699 0.871 -6.694 1.00 0.00 C ATOM 1068 CG2 ILE A 69 9.158 0.764 -7.076 1.00 0.00 C ATOM 1069 CD1 ILE A 69 6.728 2.277 -6.135 1.00 0.00 C ATOM 0 H ILE A 69 7.839 -0.492 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 69 8.727 -1.926 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 69 8.126 0.040 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.532 0.920 -7.770 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.853 0.335 -6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.240 1.784 -6.700 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.072 0.217 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.013 0.786 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.788 2.779 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.864 2.236 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.553 2.830 -6.584 1.00 0.00 H new ATOM 1081 N LEU A 70 5.644 -2.168 -7.368 1.00 0.00 N ATOM 1082 CA LEU A 70 4.354 -2.733 -7.035 1.00 0.00 C ATOM 1083 C LEU A 70 4.544 -4.089 -6.349 1.00 0.00 C ATOM 1084 O LEU A 70 3.903 -4.390 -5.339 1.00 0.00 O ATOM 1085 CB LEU A 70 3.508 -2.878 -8.313 1.00 0.00 C ATOM 1086 CG LEU A 70 1.984 -2.849 -8.132 1.00 0.00 C ATOM 1087 CD1 LEU A 70 1.290 -2.797 -9.483 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.500 -4.055 -7.344 1.00 0.00 C ATOM 0 H LEU A 70 5.757 -1.933 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 70 3.830 -2.070 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.785 -2.077 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.777 -3.818 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 70 1.733 -1.951 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.210 -2.777 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.601 -1.899 -10.017 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.561 -3.678 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.417 -4.006 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.769 -4.968 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.966 -4.057 -6.359 1.00 0.00 H new ATOM 1100 N SER A 71 5.458 -4.890 -6.880 1.00 0.00 N ATOM 1101 CA SER A 71 5.749 -6.195 -6.310 1.00 0.00 C ATOM 1102 C SER A 71 6.554 -6.057 -5.017 1.00 0.00 C ATOM 1103 O SER A 71 6.444 -6.888 -4.117 1.00 0.00 O ATOM 1104 CB SER A 71 6.500 -7.055 -7.328 1.00 0.00 C ATOM 1105 OG SER A 71 7.553 -6.328 -7.933 1.00 0.00 O ATOM 0 H SER A 71 6.010 -4.657 -7.705 1.00 0.00 H new ATOM 0 HA SER A 71 4.807 -6.686 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.902 -7.940 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.808 -7.404 -8.094 1.00 0.00 H new ATOM 0 HG SER A 71 8.018 -6.901 -8.578 1.00 0.00 H new ATOM 1111 N GLU A 72 7.326 -4.984 -4.916 1.00 0.00 N ATOM 1112 CA GLU A 72 8.174 -4.760 -3.754 1.00 0.00 C ATOM 1113 C GLU A 72 7.324 -4.410 -2.532 1.00 0.00 C ATOM 1114 O GLU A 72 7.761 -4.556 -1.393 1.00 0.00 O ATOM 1115 CB GLU A 72 9.187 -3.649 -4.050 1.00 0.00 C ATOM 1116 CG GLU A 72 10.258 -3.489 -2.983 1.00 0.00 C ATOM 1117 CD GLU A 72 11.309 -2.471 -3.365 1.00 0.00 C ATOM 1118 OE1 GLU A 72 12.223 -2.815 -4.147 1.00 0.00 O ATOM 1119 OE2 GLU A 72 11.234 -1.319 -2.886 1.00 0.00 O ATOM 0 H GLU A 72 7.382 -4.254 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 72 8.721 -5.677 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.669 -3.856 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.654 -2.705 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.790 -3.189 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.737 -4.452 -2.806 1.00 0.00 H new ATOM 1126 N VAL A 73 6.118 -3.916 -2.779 1.00 0.00 N ATOM 1127 CA VAL A 73 5.153 -3.690 -1.711 1.00 0.00 C ATOM 1128 C VAL A 73 4.312 -4.949 -1.452 1.00 0.00 C ATOM 1129 O VAL A 73 4.271 -5.467 -0.332 1.00 0.00 O ATOM 1130 CB VAL A 73 4.220 -2.505 -2.038 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.241 -2.255 -0.898 1.00 0.00 C ATOM 1132 CG2 VAL A 73 5.037 -1.254 -2.327 1.00 0.00 C ATOM 0 H VAL A 73 5.785 -3.664 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 73 5.720 -3.450 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 73 3.644 -2.757 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.594 -1.415 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.634 -3.146 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.794 -2.025 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.366 -0.426 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.639 -1.002 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.692 -1.436 -3.179 1.00 0.00 H new ATOM 1142 N THR A 74 3.673 -5.446 -2.511 1.00 0.00 N ATOM 1143 CA THR A 74 2.711 -6.549 -2.412 1.00 0.00 C ATOM 1144 C THR A 74 3.294 -7.801 -1.757 1.00 0.00 C ATOM 1145 O THR A 74 2.636 -8.427 -0.926 1.00 0.00 O ATOM 1146 CB THR A 74 2.161 -6.924 -3.799 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.229 -6.979 -4.749 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.117 -5.922 -4.262 1.00 0.00 C ATOM 0 H THR A 74 3.806 -5.098 -3.461 1.00 0.00 H new ATOM 0 HA THR A 74 1.908 -6.182 -1.773 1.00 0.00 H new ATOM 0 HB THR A 74 1.689 -7.903 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.404 -6.080 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.745 -6.212 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.290 -5.904 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.566 -4.930 -4.321 1.00 0.00 H new ATOM 1156 N ARG A 75 4.517 -8.172 -2.130 1.00 0.00 N ATOM 1157 CA ARG A 75 5.129 -9.389 -1.600 1.00 0.00 C ATOM 1158 C ARG A 75 5.313 -9.305 -0.079 1.00 0.00 C ATOM 1159 O ARG A 75 4.872 -10.205 0.635 1.00 0.00 O ATOM 1160 CB ARG A 75 6.452 -9.719 -2.315 1.00 0.00 C ATOM 1161 CG ARG A 75 6.275 -10.454 -3.641 1.00 0.00 C ATOM 1162 CD ARG A 75 5.462 -9.639 -4.633 1.00 0.00 C ATOM 1163 NE ARG A 75 5.345 -10.290 -5.934 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.501 -9.898 -6.889 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.642 -8.908 -6.665 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.511 -10.508 -8.065 1.00 0.00 N ATOM 0 H ARG A 75 5.098 -7.655 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 75 4.443 -10.212 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.997 -8.792 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.069 -10.328 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.253 -10.675 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.781 -11.409 -3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.465 -9.468 -4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.926 -8.661 -4.761 1.00 0.00 H new ATOM 0 HE ARG A 75 5.945 -11.093 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.626 -8.443 -5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.000 -8.614 -7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.162 -11.274 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.867 -10.212 -8.799 1.00 0.00 H new ATOM 1180 N PRO A 76 5.960 -8.247 0.455 1.00 0.00 N ATOM 1181 CA PRO A 76 6.029 -8.036 1.906 1.00 0.00 C ATOM 1182 C PRO A 76 4.656 -7.935 2.553 1.00 0.00 C ATOM 1183 O PRO A 76 4.444 -8.452 3.644 1.00 0.00 O ATOM 1184 CB PRO A 76 6.768 -6.708 2.046 1.00 0.00 C ATOM 1185 CG PRO A 76 7.572 -6.598 0.807 1.00 0.00 C ATOM 1186 CD PRO A 76 6.741 -7.227 -0.273 1.00 0.00 C ATOM 0 HA PRO A 76 6.520 -8.872 2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.072 -5.875 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.402 -6.698 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.793 -5.556 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.528 -7.110 0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.095 -6.497 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.361 -7.673 -1.050 1.00 0.00 H new ATOM 1194 N MET A 77 3.726 -7.277 1.870 1.00 0.00 N ATOM 1195 CA MET A 77 2.370 -7.106 2.388 1.00 0.00 C ATOM 1196 C MET A 77 1.698 -8.445 2.654 1.00 0.00 C ATOM 1197 O MET A 77 0.817 -8.540 3.498 1.00 0.00 O ATOM 1198 CB MET A 77 1.524 -6.283 1.415 1.00 0.00 C ATOM 1199 CG MET A 77 1.674 -4.786 1.607 1.00 0.00 C ATOM 1200 SD MET A 77 1.030 -4.246 3.201 1.00 0.00 S ATOM 1201 CE MET A 77 1.474 -2.513 3.197 1.00 0.00 C ATOM 0 H MET A 77 3.884 -6.853 0.956 1.00 0.00 H new ATOM 0 HA MET A 77 2.448 -6.573 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.804 -6.541 0.394 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.475 -6.555 1.537 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.727 -4.514 1.529 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.150 -4.263 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.091 -2.037 4.100 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.559 -2.416 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.043 -2.029 2.321 1.00 0.00 H new ATOM 1211 N SER A 78 2.145 -9.478 1.948 1.00 0.00 N ATOM 1212 CA SER A 78 1.560 -10.810 2.052 1.00 0.00 C ATOM 1213 C SER A 78 1.718 -11.408 3.457 1.00 0.00 C ATOM 1214 O SER A 78 1.084 -12.413 3.788 1.00 0.00 O ATOM 1215 CB SER A 78 2.204 -11.729 1.013 1.00 0.00 C ATOM 1216 OG SER A 78 1.657 -13.036 1.067 1.00 0.00 O ATOM 0 H SER A 78 2.921 -9.416 1.289 1.00 0.00 H new ATOM 0 HA SER A 78 0.490 -10.721 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.057 -11.313 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.280 -11.776 1.184 1.00 0.00 H new ATOM 0 HG SER A 78 1.188 -13.159 1.919 1.00 0.00 H new ATOM 1222 N VAL A 79 2.576 -10.808 4.270 1.00 0.00 N ATOM 1223 CA VAL A 79 2.800 -11.277 5.628 1.00 0.00 C ATOM 1224 C VAL A 79 3.179 -10.086 6.515 1.00 0.00 C ATOM 1225 O VAL A 79 3.317 -8.972 6.022 1.00 0.00 O ATOM 1226 CB VAL A 79 3.899 -12.372 5.657 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.280 -11.779 5.418 1.00 0.00 C ATOM 1228 CG2 VAL A 79 3.860 -13.162 6.958 1.00 0.00 C ATOM 0 H VAL A 79 3.130 -9.992 4.010 1.00 0.00 H new ATOM 0 HA VAL A 79 1.885 -11.727 6.012 1.00 0.00 H new ATOM 0 HB VAL A 79 3.690 -13.065 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.026 -12.573 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.303 -11.292 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.501 -11.047 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.642 -13.921 6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.022 -12.487 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.888 -13.644 7.062 1.00 0.00 H new ATOM 1238 N HIS A 80 3.323 -10.307 7.815 1.00 0.00 N ATOM 1239 CA HIS A 80 3.701 -9.231 8.727 1.00 0.00 C ATOM 1240 C HIS A 80 5.168 -8.887 8.511 1.00 0.00 C ATOM 1241 O HIS A 80 6.048 -9.675 8.850 1.00 0.00 O ATOM 1242 CB HIS A 80 3.463 -9.645 10.182 1.00 0.00 C ATOM 1243 CG HIS A 80 2.092 -10.195 10.440 1.00 0.00 C ATOM 1244 ND1 HIS A 80 1.867 -11.514 10.762 1.00 0.00 N ATOM 1245 CD2 HIS A 80 0.873 -9.603 10.421 1.00 0.00 C ATOM 1246 CE1 HIS A 80 0.576 -11.712 10.929 1.00 0.00 C ATOM 1247 NE2 HIS A 80 -0.051 -10.571 10.729 1.00 0.00 N ATOM 0 H HIS A 80 3.185 -11.214 8.261 1.00 0.00 H new ATOM 0 HA HIS A 80 3.085 -8.355 8.521 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.203 -10.394 10.462 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.625 -8.781 10.827 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.667 -8.565 10.204 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.110 -12.652 11.187 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.059 -10.429 10.793 1.00 0.00 H new ATOM 1256 N MET A 81 5.428 -7.725 7.929 1.00 0.00 N ATOM 1257 CA MET A 81 6.772 -7.380 7.490 1.00 0.00 C ATOM 1258 C MET A 81 7.270 -6.050 8.062 1.00 0.00 C ATOM 1259 O MET A 81 6.517 -5.268 8.642 1.00 0.00 O ATOM 1260 CB MET A 81 6.814 -7.324 5.955 1.00 0.00 C ATOM 1261 CG MET A 81 7.112 -8.664 5.295 1.00 0.00 C ATOM 1262 SD MET A 81 8.869 -9.054 5.208 1.00 0.00 S ATOM 1263 CE MET A 81 9.429 -7.745 4.133 1.00 0.00 C ATOM 0 H MET A 81 4.727 -7.006 7.750 1.00 0.00 H new ATOM 0 HA MET A 81 7.436 -8.158 7.867 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.856 -6.955 5.589 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.572 -6.603 5.648 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.601 -9.453 5.847 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.699 -8.662 4.286 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.518 -7.707 4.143 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.082 -7.935 3.117 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.029 -6.792 4.481 1.00 0.00 H new ATOM 1273 N PRO A 82 8.591 -5.849 7.900 1.00 0.00 N ATOM 1274 CA PRO A 82 9.364 -4.607 8.132 1.00 0.00 C ATOM 1275 C PRO A 82 8.735 -3.263 7.709 1.00 0.00 C ATOM 1276 O PRO A 82 9.413 -2.250 7.751 1.00 0.00 O ATOM 1277 CB PRO A 82 10.626 -4.848 7.317 1.00 0.00 C ATOM 1278 CG PRO A 82 10.872 -6.302 7.450 1.00 0.00 C ATOM 1279 CD PRO A 82 9.516 -6.948 7.528 1.00 0.00 C ATOM 0 HA PRO A 82 9.475 -4.467 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.488 -4.561 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.464 -4.266 7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.436 -6.681 6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.459 -6.518 8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.236 -7.395 6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.500 -7.746 8.270 1.00 0.00 H new ATOM 1287 N ALA A 83 7.503 -3.282 7.211 1.00 0.00 N ATOM 1288 CA ALA A 83 6.889 -2.169 6.466 1.00 0.00 C ATOM 1289 C ALA A 83 7.193 -0.753 6.980 1.00 0.00 C ATOM 1290 O ALA A 83 7.288 0.165 6.160 1.00 0.00 O ATOM 1291 CB ALA A 83 5.382 -2.372 6.402 1.00 0.00 C ATOM 0 H ALA A 83 6.883 -4.086 7.312 1.00 0.00 H new ATOM 0 HA ALA A 83 7.353 -2.209 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.927 -1.549 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.163 -3.312 5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.975 -2.400 7.413 1.00 0.00 H new ATOM 1297 N MET A 84 7.368 -0.555 8.286 1.00 0.00 N ATOM 1298 CA MET A 84 7.731 0.776 8.787 1.00 0.00 C ATOM 1299 C MET A 84 9.088 1.212 8.214 1.00 0.00 C ATOM 1300 O MET A 84 9.301 2.384 7.921 1.00 0.00 O ATOM 1301 CB MET A 84 7.751 0.832 10.325 1.00 0.00 C ATOM 1302 CG MET A 84 8.862 0.030 10.974 1.00 0.00 C ATOM 1303 SD MET A 84 8.565 -1.746 10.931 1.00 0.00 S ATOM 1304 CE MET A 84 10.208 -2.313 10.529 1.00 0.00 C ATOM 0 H MET A 84 7.269 -1.275 9.002 1.00 0.00 H new ATOM 0 HA MET A 84 6.962 1.471 8.449 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.843 1.873 10.636 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.794 0.471 10.701 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.803 0.248 10.469 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.975 0.349 12.010 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.245 -3.400 10.600 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.460 -2.007 9.514 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.924 -1.879 11.227 1.00 0.00 H new ATOM 1314 N LYS A 85 9.999 0.261 8.038 1.00 0.00 N ATOM 1315 CA LYS A 85 11.287 0.552 7.421 1.00 0.00 C ATOM 1316 C LYS A 85 11.170 0.451 5.903 1.00 0.00 C ATOM 1317 O LYS A 85 11.997 0.983 5.172 1.00 0.00 O ATOM 1318 CB LYS A 85 12.385 -0.399 7.918 1.00 0.00 C ATOM 1319 CG LYS A 85 12.384 -1.755 7.228 1.00 0.00 C ATOM 1320 CD LYS A 85 13.554 -2.621 7.660 1.00 0.00 C ATOM 1321 CE LYS A 85 13.466 -2.997 9.127 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.453 -4.044 9.495 1.00 0.00 N ATOM 0 H LYS A 85 9.870 -0.713 8.312 1.00 0.00 H new ATOM 0 HA LYS A 85 11.568 1.566 7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.356 0.073 7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.265 -0.548 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.450 -2.272 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.420 -1.611 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.579 -3.526 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.487 -2.089 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.633 -2.111 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.460 -3.353 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.358 -4.271 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.278 -4.900 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.415 -3.696 9.307 1.00 0.00 H new ATOM 1336 N ILE A 86 10.136 -0.240 5.429 1.00 0.00 N ATOM 1337 CA ILE A 86 9.939 -0.408 3.996 1.00 0.00 C ATOM 1338 C ILE A 86 9.739 0.942 3.329 1.00 0.00 C ATOM 1339 O ILE A 86 10.308 1.207 2.274 1.00 0.00 O ATOM 1340 CB ILE A 86 8.756 -1.350 3.669 1.00 0.00 C ATOM 1341 CG1 ILE A 86 9.102 -2.783 4.086 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.403 -1.292 2.185 1.00 0.00 C ATOM 1343 CD1 ILE A 86 8.046 -3.807 3.718 1.00 0.00 C ATOM 0 H ILE A 86 9.429 -0.688 6.012 1.00 0.00 H new ATOM 0 HA ILE A 86 10.840 -0.876 3.601 1.00 0.00 H new ATOM 0 HB ILE A 86 7.883 -1.018 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.046 -3.067 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.257 -2.809 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.569 -1.964 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.122 -0.273 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.266 -1.598 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.367 -4.795 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.105 -3.550 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.906 -3.813 2.637 1.00 0.00 H new ATOM 1355 N CYS A 87 8.968 1.811 3.965 1.00 0.00 N ATOM 1356 CA CYS A 87 8.770 3.155 3.437 1.00 0.00 C ATOM 1357 C CYS A 87 10.047 3.979 3.571 1.00 0.00 C ATOM 1358 O CYS A 87 10.270 4.940 2.832 1.00 0.00 O ATOM 1359 CB CYS A 87 7.608 3.847 4.137 1.00 0.00 C ATOM 1360 SG CYS A 87 7.173 5.466 3.431 1.00 0.00 S ATOM 0 H CYS A 87 8.475 1.615 4.836 1.00 0.00 H new ATOM 0 HA CYS A 87 8.526 3.071 2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.734 3.198 4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.858 3.977 5.190 1.00 0.00 H new ATOM 1365 N GLU A 88 10.903 3.572 4.491 1.00 0.00 N ATOM 1366 CA GLU A 88 12.205 4.190 4.641 1.00 0.00 C ATOM 1367 C GLU A 88 13.077 3.822 3.446 1.00 0.00 C ATOM 1368 O GLU A 88 13.996 4.551 3.076 1.00 0.00 O ATOM 1369 CB GLU A 88 12.848 3.718 5.936 1.00 0.00 C ATOM 1370 CG GLU A 88 12.153 4.233 7.187 1.00 0.00 C ATOM 1371 CD GLU A 88 12.290 5.730 7.349 1.00 0.00 C ATOM 1372 OE1 GLU A 88 13.288 6.174 7.956 1.00 0.00 O ATOM 1373 OE2 GLU A 88 11.412 6.473 6.866 1.00 0.00 O ATOM 0 H GLU A 88 10.717 2.813 5.147 1.00 0.00 H new ATOM 0 HA GLU A 88 12.098 5.274 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.849 2.628 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.890 4.038 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.096 3.970 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.571 3.736 8.062 1.00 0.00 H new ATOM 1380 N LYS A 89 12.768 2.678 2.845 1.00 0.00 N ATOM 1381 CA LYS A 89 13.435 2.237 1.631 1.00 0.00 C ATOM 1382 C LYS A 89 12.809 2.934 0.423 1.00 0.00 C ATOM 1383 O LYS A 89 13.476 3.180 -0.583 1.00 0.00 O ATOM 1384 CB LYS A 89 13.346 0.708 1.496 1.00 0.00 C ATOM 1385 CG LYS A 89 13.859 -0.032 2.726 1.00 0.00 C ATOM 1386 CD LYS A 89 13.872 -1.552 2.555 1.00 0.00 C ATOM 1387 CE LYS A 89 12.476 -2.150 2.426 1.00 0.00 C ATOM 1388 NZ LYS A 89 11.991 -2.161 1.018 1.00 0.00 N ATOM 0 H LYS A 89 12.052 2.036 3.185 1.00 0.00 H new ATOM 0 HA LYS A 89 14.490 2.505 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.309 0.425 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.919 0.392 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.869 0.310 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.236 0.225 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.454 -1.807 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.377 -2.004 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.483 -3.169 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.781 -1.580 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.269 -1.423 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.788 -1.978 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.577 -3.090 0.801 1.00 0.00 H new ATOM 1402 N LEU A 90 11.521 3.273 0.547 1.00 0.00 N ATOM 1403 CA LEU A 90 10.823 4.073 -0.463 1.00 0.00 C ATOM 1404 C LEU A 90 11.442 5.462 -0.564 1.00 0.00 C ATOM 1405 O LEU A 90 11.412 6.088 -1.624 1.00 0.00 O ATOM 1406 CB LEU A 90 9.328 4.211 -0.137 1.00 0.00 C ATOM 1407 CG LEU A 90 8.395 3.188 -0.796 1.00 0.00 C ATOM 1408 CD1 LEU A 90 8.600 3.170 -2.302 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.598 1.803 -0.213 1.00 0.00 C ATOM 0 H LEU A 90 10.940 3.004 1.341 1.00 0.00 H new ATOM 0 HA LEU A 90 10.926 3.554 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.205 4.141 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.004 5.209 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 90 7.368 3.490 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.929 2.438 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.386 4.158 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.632 2.901 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.922 1.100 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.629 1.487 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.389 1.824 0.857 1.00 0.00 H new ATOM 1421 N LYS A 91 11.999 5.934 0.548 1.00 0.00 N ATOM 1422 CA LYS A 91 12.684 7.224 0.587 1.00 0.00 C ATOM 1423 C LYS A 91 13.792 7.317 -0.460 1.00 0.00 C ATOM 1424 O LYS A 91 14.143 8.408 -0.904 1.00 0.00 O ATOM 1425 CB LYS A 91 13.294 7.477 1.964 1.00 0.00 C ATOM 1426 CG LYS A 91 12.335 8.059 2.986 1.00 0.00 C ATOM 1427 CD LYS A 91 13.074 8.413 4.266 1.00 0.00 C ATOM 1428 CE LYS A 91 12.281 9.370 5.136 1.00 0.00 C ATOM 1429 NZ LYS A 91 11.054 8.746 5.691 1.00 0.00 N ATOM 0 H LYS A 91 11.989 5.439 1.440 1.00 0.00 H new ATOM 0 HA LYS A 91 11.929 7.979 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.688 6.537 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.140 8.155 1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.855 8.949 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.544 7.341 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.283 7.502 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.035 8.862 4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.910 9.719 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.006 10.247 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.772 9.246 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.287 8.806 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.242 7.748 5.913 1.00 0.00 H new ATOM 1443 N LYS A 92 14.351 6.175 -0.842 1.00 0.00 N ATOM 1444 CA LYS A 92 15.440 6.153 -1.812 1.00 0.00 C ATOM 1445 C LYS A 92 14.907 6.396 -3.219 1.00 0.00 C ATOM 1446 O LYS A 92 15.663 6.707 -4.138 1.00 0.00 O ATOM 1447 CB LYS A 92 16.207 4.826 -1.749 1.00 0.00 C ATOM 1448 CG LYS A 92 17.207 4.740 -0.598 1.00 0.00 C ATOM 1449 CD LYS A 92 16.527 4.828 0.760 1.00 0.00 C ATOM 1450 CE LYS A 92 17.539 4.888 1.894 1.00 0.00 C ATOM 1451 NZ LYS A 92 18.362 3.653 1.980 1.00 0.00 N ATOM 0 H LYS A 92 14.071 5.257 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 92 16.133 6.956 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.492 4.009 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.738 4.680 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.758 3.802 -0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.936 5.545 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.892 5.713 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.877 3.964 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.192 5.748 1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.015 5.040 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.978 3.704 2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.738 2.825 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.947 3.565 1.125 1.00 0.00 H new ATOM 1465 N LEU A 93 13.598 6.261 -3.374 1.00 0.00 N ATOM 1466 CA LEU A 93 12.942 6.545 -4.641 1.00 0.00 C ATOM 1467 C LEU A 93 12.499 7.999 -4.667 1.00 0.00 C ATOM 1468 O LEU A 93 12.831 8.752 -5.584 1.00 0.00 O ATOM 1469 CB LEU A 93 11.724 5.636 -4.858 1.00 0.00 C ATOM 1470 CG LEU A 93 12.018 4.145 -5.067 1.00 0.00 C ATOM 1471 CD1 LEU A 93 12.433 3.473 -3.768 1.00 0.00 C ATOM 1472 CD2 LEU A 93 10.803 3.452 -5.654 1.00 0.00 C ATOM 0 H LEU A 93 12.967 5.955 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 93 13.655 6.355 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.064 5.737 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.175 6.001 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 93 12.851 4.060 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.634 2.418 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.333 3.952 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.630 3.567 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.022 2.394 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.959 3.558 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.554 3.905 -6.613 1.00 0.00 H new ATOM 1484 N ASP A 94 11.764 8.392 -3.640 1.00 0.00 N ATOM 1485 CA ASP A 94 11.238 9.743 -3.541 1.00 0.00 C ATOM 1486 C ASP A 94 10.910 10.065 -2.088 1.00 0.00 C ATOM 1487 O ASP A 94 10.386 9.223 -1.359 1.00 0.00 O ATOM 1488 CB ASP A 94 9.989 9.883 -4.418 1.00 0.00 C ATOM 1489 CG ASP A 94 9.416 11.282 -4.396 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.918 12.150 -5.143 1.00 0.00 O ATOM 1491 OD2 ASP A 94 8.471 11.524 -3.632 1.00 0.00 O ATOM 0 H ASP A 94 11.516 7.788 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 94 11.990 10.449 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.238 9.613 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.230 9.178 -4.078 1.00 0.00 H new ATOM 1496 N SER A 95 11.236 11.278 -1.667 1.00 0.00 N ATOM 1497 CA SER A 95 11.049 11.684 -0.284 1.00 0.00 C ATOM 1498 C SER A 95 9.631 12.189 -0.045 1.00 0.00 C ATOM 1499 O SER A 95 9.123 12.129 1.077 1.00 0.00 O ATOM 1500 CB SER A 95 12.067 12.763 0.079 1.00 0.00 C ATOM 1501 OG SER A 95 13.388 12.297 -0.137 1.00 0.00 O ATOM 0 H SER A 95 11.633 12.001 -2.267 1.00 0.00 H new ATOM 0 HA SER A 95 11.204 10.814 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.888 13.656 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.943 13.050 1.123 1.00 0.00 H new ATOM 0 HG SER A 95 14.026 13.002 0.099 1.00 0.00 H new ATOM 1507 N GLN A 96 8.987 12.659 -1.106 1.00 0.00 N ATOM 1508 CA GLN A 96 7.635 13.198 -1.011 1.00 0.00 C ATOM 1509 C GLN A 96 6.637 12.078 -0.741 1.00 0.00 C ATOM 1510 O GLN A 96 5.543 12.317 -0.239 1.00 0.00 O ATOM 1511 CB GLN A 96 7.269 13.944 -2.296 1.00 0.00 C ATOM 1512 CG GLN A 96 5.871 14.538 -2.294 1.00 0.00 C ATOM 1513 CD GLN A 96 5.502 15.151 -3.628 1.00 0.00 C ATOM 1514 OE1 GLN A 96 4.719 16.097 -3.698 1.00 0.00 O ATOM 1515 NE2 GLN A 96 6.061 14.616 -4.702 1.00 0.00 N ATOM 0 H GLN A 96 9.381 12.678 -2.047 1.00 0.00 H new ATOM 0 HA GLN A 96 7.597 13.902 -0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.991 14.744 -2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.359 13.259 -3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.149 13.761 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.804 15.299 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.706 13.832 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.847 14.988 -5.627 1.00 0.00 H new ATOM 1524 N ILE A 97 7.021 10.853 -1.085 1.00 0.00 N ATOM 1525 CA ILE A 97 6.236 9.674 -0.734 1.00 0.00 C ATOM 1526 C ILE A 97 5.952 9.672 0.763 1.00 0.00 C ATOM 1527 O ILE A 97 4.826 9.456 1.207 1.00 0.00 O ATOM 1528 CB ILE A 97 6.983 8.368 -1.089 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.405 8.371 -2.561 1.00 0.00 C ATOM 1530 CG2 ILE A 97 6.120 7.152 -0.774 1.00 0.00 C ATOM 1531 CD1 ILE A 97 8.086 7.093 -3.008 1.00 0.00 C ATOM 0 H ILE A 97 7.873 10.650 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 97 5.308 9.716 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 97 7.884 8.311 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.524 8.537 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.079 9.210 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.664 6.243 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.879 7.142 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.199 7.200 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.354 7.173 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.987 6.934 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.407 6.251 -2.869 1.00 0.00 H new ATOM 1543 N CYS A 98 6.986 9.946 1.533 1.00 0.00 N ATOM 1544 CA CYS A 98 6.873 9.959 2.974 1.00 0.00 C ATOM 1545 C CYS A 98 6.420 11.337 3.449 1.00 0.00 C ATOM 1546 O CYS A 98 5.479 11.461 4.240 1.00 0.00 O ATOM 1547 CB CYS A 98 8.216 9.581 3.602 1.00 0.00 C ATOM 1548 SG CYS A 98 8.084 8.395 4.978 1.00 0.00 S ATOM 0 H CYS A 98 7.918 10.164 1.180 1.00 0.00 H new ATOM 0 HA CYS A 98 6.127 9.227 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 98 8.859 9.157 2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.705 10.486 3.962 1.00 0.00 H new ATOM 1553 N GLU A 99 7.063 12.372 2.927 1.00 0.00 N ATOM 1554 CA GLU A 99 6.769 13.745 3.319 1.00 0.00 C ATOM 1555 C GLU A 99 5.650 14.323 2.456 1.00 0.00 C ATOM 1556 O GLU A 99 5.723 15.469 2.006 1.00 0.00 O ATOM 1557 CB GLU A 99 8.028 14.605 3.188 1.00 0.00 C ATOM 1558 CG GLU A 99 9.213 14.079 3.981 1.00 0.00 C ATOM 1559 CD GLU A 99 8.978 14.104 5.476 1.00 0.00 C ATOM 1560 OE1 GLU A 99 9.304 15.126 6.112 1.00 0.00 O ATOM 1561 OE2 GLU A 99 8.471 13.102 6.021 1.00 0.00 O ATOM 0 H GLU A 99 7.798 12.286 2.225 1.00 0.00 H new ATOM 0 HA GLU A 99 6.440 13.746 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.306 14.669 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.801 15.618 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.428 13.057 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.094 14.676 3.747 1.00 0.00 H new ATOM 1568 N LEU A 100 4.623 13.518 2.220 1.00 0.00 N ATOM 1569 CA LEU A 100 3.492 13.931 1.404 1.00 0.00 C ATOM 1570 C LEU A 100 2.674 14.979 2.147 1.00 0.00 C ATOM 1571 O LEU A 100 2.441 16.069 1.629 1.00 0.00 O ATOM 1572 CB LEU A 100 2.623 12.717 1.063 1.00 0.00 C ATOM 1573 CG LEU A 100 1.633 12.923 -0.083 1.00 0.00 C ATOM 1574 CD1 LEU A 100 2.365 13.226 -1.381 1.00 0.00 C ATOM 1575 CD2 LEU A 100 0.747 11.699 -0.243 1.00 0.00 C ATOM 0 H LEU A 100 4.551 12.569 2.586 1.00 0.00 H new ATOM 0 HA LEU A 100 3.859 14.368 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.277 11.882 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.066 12.428 1.954 1.00 0.00 H new ATOM 0 HG LEU A 100 1.002 13.779 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.640 13.369 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.957 14.133 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.023 12.393 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.047 11.861 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.365 10.828 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.192 11.529 0.679 1.00 0.00 H new ATOM 1587 N LYS A 101 2.269 14.637 3.372 1.00 0.00 N ATOM 1588 CA LYS A 101 1.539 15.548 4.265 1.00 0.00 C ATOM 1589 C LYS A 101 0.123 15.828 3.764 1.00 0.00 C ATOM 1590 O LYS A 101 -0.083 16.335 2.659 1.00 0.00 O ATOM 1591 CB LYS A 101 2.312 16.856 4.448 1.00 0.00 C ATOM 1592 CG LYS A 101 3.698 16.654 5.034 1.00 0.00 C ATOM 1593 CD LYS A 101 3.634 16.059 6.432 1.00 0.00 C ATOM 1594 CE LYS A 101 5.023 15.747 6.960 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.005 15.394 8.405 1.00 0.00 N ATOM 0 H LYS A 101 2.438 13.716 3.777 1.00 0.00 H new ATOM 0 HA LYS A 101 1.450 15.052 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.402 17.356 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.742 17.519 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.276 15.997 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.222 17.609 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.135 16.757 7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.035 15.148 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.450 14.921 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.671 16.609 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.973 15.189 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.622 16.191 8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.407 14.555 8.550 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.853 15.493 4.607 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.256 15.729 4.297 1.00 0.00 C ATOM 1611 C TYR A 102 -2.536 17.222 4.257 1.00 0.00 C ATOM 1612 O TYR A 102 -2.802 17.793 3.202 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.168 15.087 5.349 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.130 13.576 5.392 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.862 12.820 4.487 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.389 12.906 6.357 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.856 11.440 4.540 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.373 11.526 6.413 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.108 10.797 5.503 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.112 9.423 5.569 1.00 0.00 O ATOM 0 H TYR A 102 -0.693 15.055 5.514 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.461 15.281 3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.891 15.470 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.194 15.404 5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.446 13.319 3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.816 13.473 7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.435 10.867 3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.787 11.020 7.166 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.591 9.058 4.823 1.00 0.00 H new ATOM 1630 N GLU A 103 -2.459 17.847 5.420 1.00 0.00 N ATOM 1631 CA GLU A 103 -2.713 19.272 5.541 1.00 0.00 C ATOM 1632 C GLU A 103 -1.456 19.987 6.003 1.00 0.00 C ATOM 1633 O GLU A 103 -1.529 21.081 6.566 1.00 0.00 O ATOM 1634 CB GLU A 103 -3.845 19.532 6.537 1.00 0.00 C ATOM 1635 CG GLU A 103 -5.149 18.832 6.187 1.00 0.00 C ATOM 1636 CD GLU A 103 -5.643 19.173 4.797 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -5.891 20.368 4.524 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -5.797 18.248 3.973 1.00 0.00 O ATOM 0 H GLU A 103 -2.221 17.386 6.298 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.008 19.653 4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.525 19.208 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.025 20.605 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.009 17.754 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.911 19.107 6.916 1.00 0.00 H new ATOM 1645 N LYS A 104 -0.303 19.342 5.773 1.00 0.00 N ATOM 1646 CA LYS A 104 1.002 19.848 6.232 1.00 0.00 C ATOM 1647 C LYS A 104 1.068 19.821 7.745 1.00 0.00 C ATOM 1648 O LYS A 104 2.011 20.329 8.355 1.00 0.00 O ATOM 1649 CB LYS A 104 1.232 21.289 5.773 1.00 0.00 C ATOM 1650 CG LYS A 104 0.978 21.507 4.292 1.00 0.00 C ATOM 1651 CD LYS A 104 2.031 20.818 3.440 1.00 0.00 C ATOM 1652 CE LYS A 104 1.624 20.789 1.980 1.00 0.00 C ATOM 1653 NZ LYS A 104 2.746 20.387 1.092 1.00 0.00 N ATOM 0 H LYS A 104 -0.247 18.459 5.266 1.00 0.00 H new ATOM 0 HA LYS A 104 1.769 19.204 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.582 21.951 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.259 21.574 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.009 21.126 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.975 22.575 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.983 21.338 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.183 19.800 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.793 20.095 1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.265 21.775 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.422 20.381 0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.530 21.063 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.073 19.435 1.355 1.00 0.00 H new ATOM 1667 N THR A 105 0.053 19.239 8.347 1.00 0.00 N ATOM 1668 CA THR A 105 -0.178 19.391 9.759 1.00 0.00 C ATOM 1669 C THR A 105 -1.023 18.231 10.276 1.00 0.00 C ATOM 1670 O THR A 105 -0.457 17.306 10.884 1.00 0.00 O ATOM 1671 CB THR A 105 -0.898 20.728 10.029 1.00 0.00 C ATOM 1672 OG1 THR A 105 -0.270 21.793 9.296 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.860 21.072 11.495 1.00 0.00 C ATOM 1674 OXT THR A 105 -2.247 18.228 10.027 1.00 0.00 O ATOM 0 H THR A 105 -0.630 18.651 7.870 1.00 0.00 H new ATOM 0 HA THR A 105 0.780 19.390 10.279 1.00 0.00 H new ATOM 0 HB THR A 105 -1.933 20.614 9.708 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.618 21.810 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.374 22.019 11.660 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.355 20.286 12.066 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.176 21.160 11.821 1.00 0.00 H new TER 1682 THR A 105