USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 62 HIS : no HE2:sc= -5.13! C(o=-6.6!,f=-20!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -120:sc= -1.49 (180deg=-1.93!) USER MOD Set 2.1: A 25 SER OG : rot -140:sc= -0.0153 USER MOD Set 2.2: A 47 LYS NZ :NH3+ -125:sc= -0.244 (180deg=-1.61!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.251 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.65! C(o=-3.6!,f=-3.7!) USER MOD Single : A 21 SER OG : rot -49:sc= -1.37! USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= -0.0358 (180deg=-0.285) USER MOD Single : A 36 ASN : amide:sc= -4.59! C(o=-4.6!,f=-12!) USER MOD Single : A 37 THR OG1 : rot 135:sc= 0.388 USER MOD Single : A 38 SER OG : rot 34:sc= 1.08 USER MOD Single : A 41 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.32) USER MOD Single : A 45 TYR OH : rot 100:sc= -2.86! USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0183 (180deg=-0.169) USER MOD Single : A 71 ASN : amide:sc= -0.967 K(o=-0.97,f=-2) USER MOD Single : A 74 SER OG : rot 40:sc= 0.286 USER MOD Single : A 79 THR OG1 : rot 150:sc= -0.93 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.68 F(o=-4.8!,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -5.64! C(o=-7.1!,f=-5.6!) USER MOD Single : A 86 THR OG1 : rot 62:sc= -4.02! USER MOD Single : A 89 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.92) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 92 GLN : amide:sc= -2.98 K(o=-3,f=-5.4!) USER MOD Single : A 95 HIS : no HD1:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 102 GLN : amide:sc= -1.32! C(o=-1.3!,f=-5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 106 SER OG : rot -43:sc= 0.958 USER MOD Single : A 107 LYS NZ :NH3+ -116:sc= -0.463 (180deg=-1.64!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.021 -5.135 -15.199 1.00 0.00 N ATOM 2 CA GLY A 1 1.205 -4.560 -15.895 1.00 0.00 C ATOM 3 C GLY A 1 2.298 -4.140 -14.932 1.00 0.00 C ATOM 4 O GLY A 1 2.766 -4.944 -14.126 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.697 -5.406 -15.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.310 -5.975 -14.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.379 -4.426 -14.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.604 -5.295 -16.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.893 -3.697 -16.484 1.00 0.00 H new ATOM 10 N SER A 2 2.706 -2.877 -15.016 1.00 0.00 N ATOM 11 CA SER A 2 3.752 -2.351 -14.146 1.00 0.00 C ATOM 12 C SER A 2 5.069 -3.087 -14.372 1.00 0.00 C ATOM 13 O SER A 2 5.165 -4.293 -14.145 1.00 0.00 O ATOM 14 CB SER A 2 3.333 -2.470 -12.679 1.00 0.00 C ATOM 15 OG SER A 2 1.924 -2.566 -12.557 1.00 0.00 O ATOM 0 H SER A 2 2.328 -2.199 -15.678 1.00 0.00 H new ATOM 0 HA SER A 2 3.898 -1.299 -14.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.800 -3.349 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.691 -1.603 -12.124 1.00 0.00 H new ATOM 0 HG SER A 2 1.682 -2.643 -11.610 1.00 0.00 H new ATOM 21 N SER A 3 6.082 -2.352 -14.820 1.00 0.00 N ATOM 22 CA SER A 3 7.394 -2.936 -15.076 1.00 0.00 C ATOM 23 C SER A 3 8.027 -3.441 -13.781 1.00 0.00 C ATOM 24 O SER A 3 8.310 -4.630 -13.645 1.00 0.00 O ATOM 25 CB SER A 3 8.311 -1.909 -15.743 1.00 0.00 C ATOM 26 OG SER A 3 8.298 -2.051 -17.153 1.00 0.00 O ATOM 0 H SER A 3 6.020 -1.352 -15.013 1.00 0.00 H new ATOM 0 HA SER A 3 7.263 -3.784 -15.748 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.991 -0.902 -15.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.329 -2.031 -15.372 1.00 0.00 H new ATOM 0 HG SER A 3 8.891 -1.382 -17.555 1.00 0.00 H new ATOM 32 N PRO A 4 8.259 -2.539 -12.812 1.00 0.00 N ATOM 33 CA PRO A 4 8.861 -2.900 -11.524 1.00 0.00 C ATOM 34 C PRO A 4 7.881 -3.636 -10.612 1.00 0.00 C ATOM 35 O PRO A 4 6.912 -3.049 -10.131 1.00 0.00 O ATOM 36 CB PRO A 4 9.234 -1.546 -10.922 1.00 0.00 C ATOM 37 CG PRO A 4 8.250 -0.594 -11.505 1.00 0.00 C ATOM 38 CD PRO A 4 7.951 -1.097 -12.891 1.00 0.00 C ATOM 0 HA PRO A 4 9.705 -3.580 -11.642 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.171 -1.565 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.256 -1.266 -11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.343 -0.553 -10.902 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.658 0.416 -11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.910 -0.924 -13.164 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.565 -0.597 -13.640 1.00 0.00 H new ATOM 46 N PRO A 5 8.116 -4.938 -10.361 1.00 0.00 N ATOM 47 CA PRO A 5 7.246 -5.743 -9.506 1.00 0.00 C ATOM 48 C PRO A 5 7.541 -5.551 -8.021 1.00 0.00 C ATOM 49 O PRO A 5 7.777 -6.517 -7.295 1.00 0.00 O ATOM 50 CB PRO A 5 7.578 -7.169 -9.936 1.00 0.00 C ATOM 51 CG PRO A 5 9.013 -7.110 -10.334 1.00 0.00 C ATOM 52 CD PRO A 5 9.246 -5.728 -10.892 1.00 0.00 C ATOM 0 HA PRO A 5 6.196 -5.474 -9.617 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.420 -7.877 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.948 -7.491 -10.765 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.661 -7.297 -9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.241 -7.873 -11.079 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.205 -5.322 -10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.253 -5.733 -11.982 1.00 0.00 H new ATOM 60 N LYS A 6 7.526 -4.298 -7.572 1.00 0.00 N ATOM 61 CA LYS A 6 7.791 -3.991 -6.171 1.00 0.00 C ATOM 62 C LYS A 6 7.125 -2.708 -5.753 1.00 0.00 C ATOM 63 O LYS A 6 6.826 -1.844 -6.578 1.00 0.00 O ATOM 64 CB LYS A 6 9.295 -3.930 -5.901 1.00 0.00 C ATOM 65 CG LYS A 6 10.042 -5.177 -6.344 1.00 0.00 C ATOM 66 CD LYS A 6 11.492 -5.150 -5.885 1.00 0.00 C ATOM 67 CE LYS A 6 11.623 -5.563 -4.429 1.00 0.00 C ATOM 68 NZ LYS A 6 11.976 -7.003 -4.289 1.00 0.00 N ATOM 0 H LYS A 6 7.334 -3.484 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 6 7.366 -4.797 -5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.713 -3.064 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.459 -3.778 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.548 -6.061 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.004 -5.258 -7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.085 -5.819 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.898 -4.147 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.387 -4.954 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.684 -5.367 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.056 -7.244 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.235 -7.586 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.884 -7.185 -4.762 1.00 0.00 H new ATOM 82 N PRO A 7 6.846 -2.584 -4.451 1.00 0.00 N ATOM 83 CA PRO A 7 6.171 -1.424 -3.921 1.00 0.00 C ATOM 84 C PRO A 7 7.041 -0.170 -3.933 1.00 0.00 C ATOM 85 O PRO A 7 8.267 -0.252 -4.016 1.00 0.00 O ATOM 86 CB PRO A 7 5.803 -1.816 -2.483 1.00 0.00 C ATOM 87 CG PRO A 7 6.077 -3.280 -2.378 1.00 0.00 C ATOM 88 CD PRO A 7 7.126 -3.579 -3.406 1.00 0.00 C ATOM 0 HA PRO A 7 5.305 -1.166 -4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.396 -1.254 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.756 -1.598 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.425 -3.541 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.173 -3.860 -2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.132 -3.469 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.044 -4.598 -3.784 1.00 0.00 H new ATOM 96 N GLY A 8 6.397 0.991 -3.847 1.00 0.00 N ATOM 97 CA GLY A 8 7.123 2.250 -3.845 1.00 0.00 C ATOM 98 C GLY A 8 6.545 3.266 -4.814 1.00 0.00 C ATOM 99 O GLY A 8 7.110 4.343 -5.004 1.00 0.00 O ATOM 0 H GLY A 8 5.383 1.083 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.112 2.668 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.166 2.063 -4.101 1.00 0.00 H new ATOM 103 N ASP A 9 5.422 2.918 -5.439 1.00 0.00 N ATOM 104 CA ASP A 9 4.768 3.769 -6.392 1.00 0.00 C ATOM 105 C ASP A 9 3.540 3.055 -6.884 1.00 0.00 C ATOM 106 O ASP A 9 2.530 2.977 -6.188 1.00 0.00 O ATOM 107 CB ASP A 9 5.710 4.106 -7.530 1.00 0.00 C ATOM 108 CG ASP A 9 6.295 5.500 -7.411 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.518 6.455 -7.204 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.532 5.635 -7.526 1.00 0.00 O ATOM 0 H ASP A 9 4.948 2.028 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 9 4.477 4.712 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.520 3.377 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.176 4.020 -8.476 1.00 0.00 H new ATOM 115 N ILE A 10 3.649 2.492 -8.052 1.00 0.00 N ATOM 116 CA ILE A 10 2.559 1.731 -8.608 1.00 0.00 C ATOM 117 C ILE A 10 2.825 0.243 -8.417 1.00 0.00 C ATOM 118 O ILE A 10 3.569 -0.379 -9.175 1.00 0.00 O ATOM 119 CB ILE A 10 2.389 2.044 -10.109 1.00 0.00 C ATOM 120 CG1 ILE A 10 1.187 1.294 -10.701 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.661 1.698 -10.872 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.059 1.050 -9.718 1.00 0.00 C ATOM 0 H ILE A 10 4.480 2.543 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 10 1.640 2.006 -8.091 1.00 0.00 H new ATOM 0 HB ILE A 10 2.200 3.113 -10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.800 1.862 -11.547 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.528 0.335 -11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.524 1.925 -11.929 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.492 2.285 -10.480 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.879 0.637 -10.754 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.749 0.516 -10.217 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.427 0.454 -8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.313 2.005 -9.346 1.00 0.00 H new ATOM 134 N PHE A 11 2.189 -0.316 -7.398 1.00 0.00 N ATOM 135 CA PHE A 11 2.314 -1.731 -7.078 1.00 0.00 C ATOM 136 C PHE A 11 0.956 -2.414 -7.174 1.00 0.00 C ATOM 137 O PHE A 11 -0.037 -1.849 -6.741 1.00 0.00 O ATOM 138 CB PHE A 11 2.914 -1.894 -5.680 1.00 0.00 C ATOM 139 CG PHE A 11 2.785 -3.266 -5.117 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.109 -4.372 -5.880 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.334 -3.448 -3.824 1.00 0.00 C ATOM 142 CE1 PHE A 11 2.986 -5.639 -5.360 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.207 -4.711 -3.300 1.00 0.00 C ATOM 144 CZ PHE A 11 2.533 -5.806 -4.070 1.00 0.00 C ATOM 0 H PHE A 11 1.572 0.198 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 11 2.981 -2.206 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.970 -1.626 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.430 -1.189 -5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.461 -4.240 -6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.079 -2.590 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.243 -6.499 -5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.853 -4.845 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.433 -6.800 -3.660 1.00 0.00 H new ATOM 154 N GLU A 12 0.904 -3.633 -7.691 1.00 0.00 N ATOM 155 CA GLU A 12 -0.353 -4.344 -7.773 1.00 0.00 C ATOM 156 C GLU A 12 -0.286 -5.607 -6.925 1.00 0.00 C ATOM 157 O GLU A 12 0.800 -6.159 -6.753 1.00 0.00 O ATOM 158 CB GLU A 12 -0.733 -4.636 -9.234 1.00 0.00 C ATOM 159 CG GLU A 12 -0.607 -6.095 -9.656 1.00 0.00 C ATOM 160 CD GLU A 12 -1.897 -6.870 -9.473 1.00 0.00 C ATOM 161 OE1 GLU A 12 -2.676 -6.520 -8.562 1.00 0.00 O ATOM 162 OE2 GLU A 12 -2.128 -7.827 -10.242 1.00 0.00 O ATOM 0 H GLU A 12 1.710 -4.141 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.147 -3.715 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.762 -4.315 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.103 -4.030 -9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.305 -6.142 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.183 -6.570 -9.075 1.00 0.00 H new ATOM 169 N VAL A 13 -1.414 -6.080 -6.363 1.00 0.00 N ATOM 170 CA VAL A 13 -1.338 -7.256 -5.540 1.00 0.00 C ATOM 171 C VAL A 13 -2.301 -8.310 -6.026 1.00 0.00 C ATOM 172 O VAL A 13 -3.520 -8.167 -5.925 1.00 0.00 O ATOM 173 CB VAL A 13 -1.634 -6.874 -4.077 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.051 -5.502 -3.772 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.126 -6.884 -3.784 1.00 0.00 C ATOM 0 H VAL A 13 -2.343 -5.672 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.333 -7.674 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.166 -7.620 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.264 -5.238 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.028 -5.522 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.499 -4.761 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.294 -6.610 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.629 -6.168 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.526 -7.882 -3.965 1.00 0.00 H new ATOM 185 N GLU A 14 -1.748 -9.366 -6.579 1.00 0.00 N ATOM 186 CA GLU A 14 -2.552 -10.425 -7.095 1.00 0.00 C ATOM 187 C GLU A 14 -2.349 -11.754 -6.369 1.00 0.00 C ATOM 188 O GLU A 14 -1.234 -12.270 -6.297 1.00 0.00 O ATOM 189 CB GLU A 14 -2.230 -10.640 -8.537 1.00 0.00 C ATOM 190 CG GLU A 14 -0.849 -11.221 -8.777 1.00 0.00 C ATOM 191 CD GLU A 14 -0.417 -11.127 -10.227 1.00 0.00 C ATOM 192 OE1 GLU A 14 -1.122 -11.685 -11.093 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.628 -10.497 -10.495 1.00 0.00 O ATOM 0 H GLU A 14 -0.742 -9.505 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.587 -10.117 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.975 -11.308 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.310 -9.689 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.126 -10.697 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.840 -12.266 -8.467 1.00 0.00 H new ATOM 200 N LEU A 15 -3.441 -12.326 -5.935 1.00 0.00 N ATOM 201 CA LEU A 15 -3.475 -13.642 -5.298 1.00 0.00 C ATOM 202 C LEU A 15 -4.748 -14.366 -5.697 1.00 0.00 C ATOM 203 O LEU A 15 -5.788 -13.740 -5.894 1.00 0.00 O ATOM 204 CB LEU A 15 -3.383 -13.565 -3.769 1.00 0.00 C ATOM 205 CG LEU A 15 -2.066 -14.094 -3.218 1.00 0.00 C ATOM 206 CD1 LEU A 15 -1.966 -15.599 -3.418 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.930 -13.373 -3.913 1.00 0.00 C ATOM 0 H LEU A 15 -4.360 -11.890 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.599 -14.191 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.510 -12.529 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.205 -14.132 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.011 -13.908 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.018 -15.957 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.788 -16.091 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.020 -15.829 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.022 -13.740 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.985 -13.557 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.009 -12.302 -3.724 1.00 0.00 H new ATOM 219 N ALA A 16 -4.668 -15.680 -5.802 1.00 0.00 N ATOM 220 CA ALA A 16 -5.813 -16.478 -6.160 1.00 0.00 C ATOM 221 C ALA A 16 -6.266 -17.226 -4.935 1.00 0.00 C ATOM 222 O ALA A 16 -5.478 -17.966 -4.354 1.00 0.00 O ATOM 223 CB ALA A 16 -5.444 -17.435 -7.276 1.00 0.00 C ATOM 0 H ALA A 16 -3.814 -16.214 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.625 -15.845 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.314 -18.036 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.114 -16.869 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.639 -18.090 -6.942 1.00 0.00 H new ATOM 229 N LYS A 17 -7.513 -17.016 -4.515 1.00 0.00 N ATOM 230 CA LYS A 17 -7.999 -17.688 -3.310 1.00 0.00 C ATOM 231 C LYS A 17 -7.492 -19.119 -3.260 1.00 0.00 C ATOM 232 O LYS A 17 -8.110 -20.036 -3.801 1.00 0.00 O ATOM 233 CB LYS A 17 -9.517 -17.683 -3.204 1.00 0.00 C ATOM 234 CG LYS A 17 -10.004 -18.461 -1.995 1.00 0.00 C ATOM 235 CD LYS A 17 -10.866 -19.650 -2.396 1.00 0.00 C ATOM 236 CE LYS A 17 -10.133 -20.968 -2.191 1.00 0.00 C ATOM 237 NZ LYS A 17 -10.752 -21.787 -1.113 1.00 0.00 N ATOM 0 H LYS A 17 -8.188 -16.405 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.609 -17.124 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.873 -16.655 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.945 -18.114 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.147 -18.811 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.577 -17.800 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.784 -19.649 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.156 -19.553 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.136 -21.533 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.091 -20.769 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.223 -22.676 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.727 -21.258 -0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.739 -22.000 -1.362 1.00 0.00 H new ATOM 251 N ASN A 18 -6.348 -19.286 -2.626 1.00 0.00 N ATOM 252 CA ASN A 18 -5.725 -20.607 -2.522 1.00 0.00 C ATOM 253 C ASN A 18 -5.209 -20.883 -1.116 1.00 0.00 C ATOM 254 O ASN A 18 -5.606 -21.858 -0.477 1.00 0.00 O ATOM 255 CB ASN A 18 -4.577 -20.727 -3.526 1.00 0.00 C ATOM 256 CG ASN A 18 -4.336 -22.159 -3.961 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.552 -22.512 -5.119 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.885 -22.992 -3.030 1.00 0.00 N ATOM 0 H ASN A 18 -5.827 -18.534 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.491 -21.349 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.799 -20.117 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.666 -20.327 -3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.704 -23.968 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.720 -22.655 -2.081 1.00 0.00 H new ATOM 265 N ASP A 19 -4.336 -20.012 -0.635 1.00 0.00 N ATOM 266 CA ASP A 19 -3.775 -20.147 0.702 1.00 0.00 C ATOM 267 C ASP A 19 -4.078 -18.892 1.475 1.00 0.00 C ATOM 268 O ASP A 19 -4.398 -18.916 2.663 1.00 0.00 O ATOM 269 CB ASP A 19 -2.266 -20.391 0.641 1.00 0.00 C ATOM 270 CG ASP A 19 -1.655 -20.578 2.016 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.402 -20.923 2.956 1.00 0.00 O ATOM 272 OD2 ASP A 19 -0.430 -20.380 2.153 1.00 0.00 O ATOM 0 H ASP A 19 -3.999 -19.200 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.223 -21.007 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.068 -21.275 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.784 -19.549 0.144 1.00 0.00 H new ATOM 277 N ASN A 20 -4.018 -17.807 0.743 1.00 0.00 N ATOM 278 CA ASN A 20 -4.316 -16.497 1.243 1.00 0.00 C ATOM 279 C ASN A 20 -4.460 -15.573 0.062 1.00 0.00 C ATOM 280 O ASN A 20 -3.897 -15.833 -1.003 1.00 0.00 O ATOM 281 CB ASN A 20 -3.236 -15.976 2.188 1.00 0.00 C ATOM 282 CG ASN A 20 -3.245 -16.681 3.531 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.333 -17.443 3.851 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.280 -16.430 4.323 1.00 0.00 N ATOM 0 H ASN A 20 -3.753 -17.816 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.239 -16.543 1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.259 -16.103 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.379 -14.907 2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.342 -16.876 5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.014 -15.791 4.016 1.00 0.00 H new ATOM 291 N SER A 21 -5.209 -14.511 0.226 1.00 0.00 N ATOM 292 CA SER A 21 -5.404 -13.589 -0.867 1.00 0.00 C ATOM 293 C SER A 21 -6.018 -12.317 -0.317 1.00 0.00 C ATOM 294 O SER A 21 -6.852 -11.666 -0.947 1.00 0.00 O ATOM 295 CB SER A 21 -6.294 -14.248 -1.930 1.00 0.00 C ATOM 296 OG SER A 21 -6.248 -13.536 -3.154 1.00 0.00 O ATOM 0 H SER A 21 -5.688 -14.265 1.092 1.00 0.00 H new ATOM 0 HA SER A 21 -4.457 -13.334 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.970 -15.276 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.322 -14.291 -1.571 1.00 0.00 H new ATOM 0 HG SER A 21 -6.397 -12.582 -2.984 1.00 0.00 H new ATOM 302 N LEU A 22 -5.599 -12.012 0.903 1.00 0.00 N ATOM 303 CA LEU A 22 -6.077 -10.873 1.654 1.00 0.00 C ATOM 304 C LEU A 22 -5.629 -11.030 3.094 1.00 0.00 C ATOM 305 O LEU A 22 -5.050 -12.046 3.452 1.00 0.00 O ATOM 306 CB LEU A 22 -7.585 -10.887 1.727 1.00 0.00 C ATOM 307 CG LEU A 22 -8.028 -11.546 3.029 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.940 -10.623 3.824 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.698 -12.886 2.765 1.00 0.00 C ATOM 0 H LEU A 22 -4.903 -12.564 1.404 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.703 -9.969 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.971 -9.869 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.995 -11.429 0.875 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.138 -11.734 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.242 -11.117 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.408 -9.702 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.825 -10.388 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.003 -13.333 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.575 -12.737 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.997 -13.550 2.260 1.00 0.00 H new ATOM 321 N GLY A 23 -5.980 -10.065 3.929 1.00 0.00 N ATOM 322 CA GLY A 23 -5.668 -10.150 5.339 1.00 0.00 C ATOM 323 C GLY A 23 -5.391 -8.795 5.906 1.00 0.00 C ATOM 324 O GLY A 23 -4.518 -8.621 6.741 1.00 0.00 O ATOM 0 H GLY A 23 -6.479 -9.219 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.500 -10.609 5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.801 -10.794 5.486 1.00 0.00 H new ATOM 328 N ILE A 24 -6.129 -7.822 5.432 1.00 0.00 N ATOM 329 CA ILE A 24 -5.927 -6.463 5.881 1.00 0.00 C ATOM 330 C ILE A 24 -7.150 -5.886 6.558 1.00 0.00 C ATOM 331 O ILE A 24 -8.285 -6.204 6.206 1.00 0.00 O ATOM 332 CB ILE A 24 -5.515 -5.560 4.707 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.670 -5.411 3.714 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.283 -6.151 4.006 1.00 0.00 C ATOM 335 CD1 ILE A 24 -6.361 -4.479 2.563 1.00 0.00 C ATOM 0 H ILE A 24 -6.870 -7.942 4.741 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.126 -6.497 6.619 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.266 -4.572 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.926 -6.393 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.549 -5.042 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.994 -5.508 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.458 -6.219 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.521 -7.146 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.224 -4.422 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.134 -3.486 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.502 -4.857 2.009 1.00 0.00 H new ATOM 347 N SER A 25 -6.902 -5.009 7.518 1.00 0.00 N ATOM 348 CA SER A 25 -7.955 -4.355 8.227 1.00 0.00 C ATOM 349 C SER A 25 -8.150 -2.980 7.625 1.00 0.00 C ATOM 350 O SER A 25 -7.255 -2.134 7.674 1.00 0.00 O ATOM 351 CB SER A 25 -7.653 -4.271 9.725 1.00 0.00 C ATOM 352 OG SER A 25 -8.847 -4.156 10.479 1.00 0.00 O ATOM 0 H SER A 25 -5.964 -4.741 7.816 1.00 0.00 H new ATOM 0 HA SER A 25 -8.875 -4.932 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.105 -5.159 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.010 -3.413 9.922 1.00 0.00 H new ATOM 0 HG SER A 25 -8.711 -3.520 11.212 1.00 0.00 H new ATOM 358 N VAL A 26 -9.303 -2.774 7.017 1.00 0.00 N ATOM 359 CA VAL A 26 -9.585 -1.516 6.360 1.00 0.00 C ATOM 360 C VAL A 26 -10.448 -0.617 7.230 1.00 0.00 C ATOM 361 O VAL A 26 -11.121 -1.081 8.150 1.00 0.00 O ATOM 362 CB VAL A 26 -10.279 -1.740 5.005 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.588 -2.491 5.191 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.512 -0.417 4.298 1.00 0.00 C ATOM 0 H VAL A 26 -10.056 -3.460 6.965 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.627 -1.024 6.190 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.624 -2.348 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.063 -2.639 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.390 -3.460 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.251 -1.913 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.004 -0.597 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.144 0.220 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.556 0.077 4.127 1.00 0.00 H new ATOM 374 N THR A 27 -10.380 0.681 6.952 1.00 0.00 N ATOM 375 CA THR A 27 -11.110 1.681 7.720 1.00 0.00 C ATOM 376 C THR A 27 -10.372 1.958 9.027 1.00 0.00 C ATOM 377 O THR A 27 -10.818 2.750 9.857 1.00 0.00 O ATOM 378 CB THR A 27 -12.544 1.225 8.013 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.140 0.658 6.856 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.437 2.348 8.503 1.00 0.00 C ATOM 0 H THR A 27 -9.820 1.067 6.192 1.00 0.00 H new ATOM 0 HA THR A 27 -11.166 2.594 7.128 1.00 0.00 H new ATOM 0 HB THR A 27 -12.459 0.483 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.054 0.372 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.438 1.961 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.028 2.762 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.488 3.130 7.745 1.00 0.00 H new ATOM 388 N VAL A 28 -9.231 1.291 9.192 1.00 0.00 N ATOM 389 CA VAL A 28 -8.404 1.440 10.370 1.00 0.00 C ATOM 390 C VAL A 28 -7.661 2.767 10.349 1.00 0.00 C ATOM 391 O VAL A 28 -7.579 3.455 11.366 1.00 0.00 O ATOM 392 CB VAL A 28 -7.395 0.290 10.448 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.123 -1.041 10.467 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.444 0.349 9.268 1.00 0.00 C ATOM 0 H VAL A 28 -8.860 0.633 8.507 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.053 1.419 11.246 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.819 0.389 11.368 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.397 -1.852 10.523 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.781 -1.083 11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.714 -1.145 9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.731 -0.473 9.334 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.010 0.265 8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.907 1.297 9.281 1.00 0.00 H new ATOM 404 N LEU A 29 -7.147 3.146 9.177 1.00 0.00 N ATOM 405 CA LEU A 29 -6.460 4.402 9.039 1.00 0.00 C ATOM 406 C LEU A 29 -7.295 5.310 8.182 1.00 0.00 C ATOM 407 O LEU A 29 -7.068 6.516 8.093 1.00 0.00 O ATOM 408 CB LEU A 29 -5.072 4.215 8.428 1.00 0.00 C ATOM 409 CG LEU A 29 -4.228 3.093 9.037 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.755 3.314 8.730 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.445 3.003 10.542 1.00 0.00 C ATOM 0 H LEU A 29 -7.201 2.594 8.321 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.319 4.843 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.187 4.021 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.523 5.152 8.524 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.544 2.150 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.167 2.508 9.169 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.606 3.325 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.435 4.268 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.834 2.198 10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.160 3.947 11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.496 2.800 10.747 1.00 0.00 H new ATOM 423 N PHE A 30 -8.271 4.693 7.549 1.00 0.00 N ATOM 424 CA PHE A 30 -9.176 5.384 6.680 1.00 0.00 C ATOM 425 C PHE A 30 -10.624 5.063 7.041 1.00 0.00 C ATOM 426 O PHE A 30 -10.888 4.421 8.054 1.00 0.00 O ATOM 427 CB PHE A 30 -8.865 4.987 5.248 1.00 0.00 C ATOM 428 CG PHE A 30 -9.078 6.009 4.341 1.00 0.00 C ATOM 429 CD1 PHE A 30 -8.154 6.963 4.278 1.00 0.00 C ATOM 430 CD2 PHE A 30 -10.128 5.982 3.510 1.00 0.00 C ATOM 431 CE1 PHE A 30 -8.249 7.913 3.390 1.00 0.00 C ATOM 432 CE2 PHE A 30 -10.264 6.940 2.606 1.00 0.00 C ATOM 433 CZ PHE A 30 -9.314 7.935 2.524 1.00 0.00 C ATOM 0 H PHE A 30 -8.452 3.692 7.629 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.050 6.461 6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.826 4.664 5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.482 4.131 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.321 6.951 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.856 5.187 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.492 8.681 3.336 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.113 6.942 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.406 8.721 1.789 1.00 0.00 H new ATOM 443 N ASP A 31 -11.560 5.517 6.215 1.00 0.00 N ATOM 444 CA ASP A 31 -12.975 5.270 6.457 1.00 0.00 C ATOM 445 C ASP A 31 -13.422 3.974 5.783 1.00 0.00 C ATOM 446 O ASP A 31 -14.432 3.382 6.163 1.00 0.00 O ATOM 447 CB ASP A 31 -13.813 6.445 5.949 1.00 0.00 C ATOM 448 CG ASP A 31 -13.746 7.645 6.873 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.728 8.368 6.834 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.711 7.862 7.635 1.00 0.00 O ATOM 0 H ASP A 31 -11.364 6.058 5.373 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.125 5.168 7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.465 6.734 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.851 6.129 5.843 1.00 0.00 H new ATOM 455 N LYS A 32 -12.660 3.534 4.781 1.00 0.00 N ATOM 456 CA LYS A 32 -12.974 2.305 4.061 1.00 0.00 C ATOM 457 C LYS A 32 -11.878 1.961 3.055 1.00 0.00 C ATOM 458 O LYS A 32 -12.165 1.497 1.952 1.00 0.00 O ATOM 459 CB LYS A 32 -14.327 2.435 3.344 1.00 0.00 C ATOM 460 CG LYS A 32 -14.275 3.226 2.042 1.00 0.00 C ATOM 461 CD LYS A 32 -15.102 4.498 2.127 1.00 0.00 C ATOM 462 CE LYS A 32 -14.484 5.494 3.094 1.00 0.00 C ATOM 463 NZ LYS A 32 -14.523 6.884 2.561 1.00 0.00 N ATOM 0 H LYS A 32 -11.821 4.012 4.452 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.035 1.496 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.711 1.437 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.037 2.914 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.240 3.479 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.643 2.606 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.182 4.949 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.115 4.255 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.016 5.455 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.451 5.211 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.623 7.555 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.642 7.083 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.332 6.986 1.915 1.00 0.00 H new ATOM 477 N GLY A 33 -10.621 2.196 3.432 1.00 0.00 N ATOM 478 CA GLY A 33 -9.526 1.903 2.524 1.00 0.00 C ATOM 479 C GLY A 33 -9.667 2.685 1.224 1.00 0.00 C ATOM 480 O GLY A 33 -9.398 3.886 1.185 1.00 0.00 O ATOM 0 H GLY A 33 -10.346 2.578 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.578 2.152 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.504 0.835 2.309 1.00 0.00 H new ATOM 484 N GLY A 34 -10.108 1.999 0.162 1.00 0.00 N ATOM 485 CA GLY A 34 -10.289 2.640 -1.136 1.00 0.00 C ATOM 486 C GLY A 34 -11.149 3.885 -1.055 1.00 0.00 C ATOM 487 O GLY A 34 -11.770 4.132 -0.022 1.00 0.00 O ATOM 0 H GLY A 34 -10.343 1.007 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.314 2.902 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.746 1.931 -1.827 1.00 0.00 H new ATOM 491 N VAL A 35 -11.162 4.685 -2.133 1.00 0.00 N ATOM 492 CA VAL A 35 -11.916 5.927 -2.178 1.00 0.00 C ATOM 493 C VAL A 35 -11.293 6.787 -3.262 1.00 0.00 C ATOM 494 O VAL A 35 -10.703 6.257 -4.201 1.00 0.00 O ATOM 495 CB VAL A 35 -11.825 6.634 -0.806 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.365 6.758 -0.376 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.565 7.970 -0.761 1.00 0.00 C ATOM 0 H VAL A 35 -10.649 4.481 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.969 5.746 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.344 6.007 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.312 7.257 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.924 5.765 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.816 7.341 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.460 8.411 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.143 8.645 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.621 7.808 -0.976 1.00 0.00 H new ATOM 507 N ASN A 36 -11.340 8.085 -3.099 1.00 0.00 N ATOM 508 CA ASN A 36 -10.702 8.982 -4.006 1.00 0.00 C ATOM 509 C ASN A 36 -10.207 10.088 -3.132 1.00 0.00 C ATOM 510 O ASN A 36 -10.070 11.235 -3.554 1.00 0.00 O ATOM 511 CB ASN A 36 -11.659 9.520 -5.070 1.00 0.00 C ATOM 512 CG ASN A 36 -12.995 9.948 -4.490 1.00 0.00 C ATOM 513 OD1 ASN A 36 -13.261 9.756 -3.304 1.00 0.00 O ATOM 514 ND2 ASN A 36 -13.842 10.533 -5.328 1.00 0.00 N ATOM 0 H ASN A 36 -11.826 8.543 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.909 8.487 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.197 10.369 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.824 8.753 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.755 10.843 -4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.580 10.672 -6.304 1.00 0.00 H new ATOM 521 N THR A 37 -10.033 9.699 -1.858 1.00 0.00 N ATOM 522 CA THR A 37 -9.646 10.582 -0.791 1.00 0.00 C ATOM 523 C THR A 37 -9.368 12.019 -1.251 1.00 0.00 C ATOM 524 O THR A 37 -9.941 12.970 -0.720 1.00 0.00 O ATOM 525 CB THR A 37 -8.445 10.014 -0.024 1.00 0.00 C ATOM 526 OG1 THR A 37 -8.344 10.608 1.257 1.00 0.00 O ATOM 527 CG2 THR A 37 -7.116 10.213 -0.726 1.00 0.00 C ATOM 0 H THR A 37 -10.165 8.734 -1.554 1.00 0.00 H new ATOM 0 HA THR A 37 -10.504 10.641 -0.122 1.00 0.00 H new ATOM 0 HB THR A 37 -8.637 8.943 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.168 9.914 1.926 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.317 9.785 -0.121 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.140 9.719 -1.697 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.934 11.279 -0.865 1.00 0.00 H new ATOM 535 N SER A 38 -8.488 12.166 -2.241 1.00 0.00 N ATOM 536 CA SER A 38 -8.135 13.478 -2.774 1.00 0.00 C ATOM 537 C SER A 38 -7.087 13.346 -3.870 1.00 0.00 C ATOM 538 O SER A 38 -5.968 13.847 -3.751 1.00 0.00 O ATOM 539 CB SER A 38 -7.601 14.376 -1.673 1.00 0.00 C ATOM 540 OG SER A 38 -8.649 15.056 -1.004 1.00 0.00 O ATOM 0 H SER A 38 -8.006 11.388 -2.691 1.00 0.00 H new ATOM 0 HA SER A 38 -9.037 13.923 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.037 13.779 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.908 15.102 -2.098 1.00 0.00 H new ATOM 0 HG SER A 38 -9.443 14.483 -0.973 1.00 0.00 H new ATOM 546 N VAL A 39 -7.462 12.663 -4.930 1.00 0.00 N ATOM 547 CA VAL A 39 -6.587 12.436 -6.060 1.00 0.00 C ATOM 548 C VAL A 39 -7.423 12.063 -7.284 1.00 0.00 C ATOM 549 O VAL A 39 -8.652 12.074 -7.223 1.00 0.00 O ATOM 550 CB VAL A 39 -5.565 11.326 -5.734 1.00 0.00 C ATOM 551 CG1 VAL A 39 -6.238 9.969 -5.701 1.00 0.00 C ATOM 552 CG2 VAL A 39 -4.401 11.340 -6.714 1.00 0.00 C ATOM 0 H VAL A 39 -8.388 12.247 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.033 13.349 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.159 11.525 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.499 9.202 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.015 9.967 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.685 9.761 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.699 10.546 -6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.775 11.180 -7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.894 12.303 -6.663 1.00 0.00 H new ATOM 562 N ARG A 40 -6.769 11.754 -8.392 1.00 0.00 N ATOM 563 CA ARG A 40 -7.478 11.407 -9.614 1.00 0.00 C ATOM 564 C ARG A 40 -7.335 9.925 -9.949 1.00 0.00 C ATOM 565 O ARG A 40 -7.366 9.538 -11.118 1.00 0.00 O ATOM 566 CB ARG A 40 -6.947 12.260 -10.756 1.00 0.00 C ATOM 567 CG ARG A 40 -7.707 12.082 -12.061 1.00 0.00 C ATOM 568 CD ARG A 40 -6.830 11.469 -13.142 1.00 0.00 C ATOM 569 NE ARG A 40 -7.131 12.011 -14.465 1.00 0.00 N ATOM 570 CZ ARG A 40 -6.791 13.236 -14.860 1.00 0.00 C ATOM 571 NH1 ARG A 40 -6.139 14.048 -14.037 1.00 0.00 N ATOM 572 NH2 ARG A 40 -7.103 13.649 -16.080 1.00 0.00 N ATOM 0 H ARG A 40 -5.752 11.736 -8.471 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.540 11.603 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.988 13.309 -10.463 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.898 12.016 -10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.576 11.446 -11.893 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.081 13.048 -12.400 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.782 11.652 -12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.970 10.388 -13.153 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.631 11.416 -15.125 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.896 13.734 -13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.881 14.986 -14.344 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.604 13.028 -16.716 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.843 14.588 -16.383 1.00 0.00 H new ATOM 586 N HIS A 41 -7.179 9.101 -8.921 1.00 0.00 N ATOM 587 CA HIS A 41 -7.032 7.658 -9.116 1.00 0.00 C ATOM 588 C HIS A 41 -7.801 6.872 -8.071 1.00 0.00 C ATOM 589 O HIS A 41 -8.231 5.744 -8.310 1.00 0.00 O ATOM 590 CB HIS A 41 -5.566 7.262 -9.030 1.00 0.00 C ATOM 591 CG HIS A 41 -4.674 8.163 -9.823 1.00 0.00 C ATOM 592 ND1 HIS A 41 -4.673 8.178 -11.200 1.00 0.00 N ATOM 593 CD2 HIS A 41 -3.772 9.095 -9.438 1.00 0.00 C ATOM 594 CE1 HIS A 41 -3.812 9.077 -11.629 1.00 0.00 C ATOM 595 NE2 HIS A 41 -3.250 9.650 -10.580 1.00 0.00 N ATOM 0 H HIS A 41 -7.151 9.402 -7.947 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.432 7.425 -10.103 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.252 7.274 -7.986 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.450 6.238 -9.386 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.511 9.354 -8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.601 9.307 -12.663 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.543 10.385 -10.613 1.00 0.00 H new ATOM 604 N GLY A 42 -7.936 7.468 -6.904 1.00 0.00 N ATOM 605 CA GLY A 42 -8.611 6.822 -5.812 1.00 0.00 C ATOM 606 C GLY A 42 -7.868 7.038 -4.519 1.00 0.00 C ATOM 607 O GLY A 42 -7.819 8.151 -3.996 1.00 0.00 O ATOM 0 H GLY A 42 -7.584 8.402 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.625 7.213 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.697 5.754 -6.013 1.00 0.00 H new ATOM 611 N GLY A 43 -7.225 5.985 -4.036 1.00 0.00 N ATOM 612 CA GLY A 43 -6.424 6.117 -2.837 1.00 0.00 C ATOM 613 C GLY A 43 -6.898 5.354 -1.604 1.00 0.00 C ATOM 614 O GLY A 43 -7.566 5.922 -0.741 1.00 0.00 O ATOM 0 H GLY A 43 -7.243 5.052 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.410 5.791 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.368 7.175 -2.581 1.00 0.00 H new ATOM 618 N ILE A 44 -6.513 4.080 -1.498 1.00 0.00 N ATOM 619 CA ILE A 44 -6.865 3.267 -0.330 1.00 0.00 C ATOM 620 C ILE A 44 -5.909 3.504 0.823 1.00 0.00 C ATOM 621 O ILE A 44 -4.692 3.442 0.664 1.00 0.00 O ATOM 622 CB ILE A 44 -6.838 1.751 -0.604 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.397 0.974 0.600 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.412 1.292 -0.907 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.634 -0.294 0.939 1.00 0.00 C ATOM 0 H ILE A 44 -5.961 3.591 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.880 3.579 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.466 1.548 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.395 1.628 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.436 0.715 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.408 0.219 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.039 1.819 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.770 1.510 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.096 -0.778 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.657 -0.972 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.600 -0.044 1.176 1.00 0.00 H new ATOM 637 N TYR A 45 -6.472 3.696 1.991 1.00 0.00 N ATOM 638 CA TYR A 45 -5.677 3.861 3.197 1.00 0.00 C ATOM 639 C TYR A 45 -6.091 2.823 4.219 1.00 0.00 C ATOM 640 O TYR A 45 -7.271 2.511 4.352 1.00 0.00 O ATOM 641 CB TYR A 45 -5.760 5.257 3.747 1.00 0.00 C ATOM 642 CG TYR A 45 -5.320 6.328 2.805 1.00 0.00 C ATOM 643 CD1 TYR A 45 -6.098 6.663 1.716 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.148 7.026 3.024 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.721 7.666 0.864 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.757 8.031 2.173 1.00 0.00 C ATOM 647 CZ TYR A 45 -4.547 8.354 1.092 1.00 0.00 C ATOM 648 OH TYR A 45 -4.166 9.366 0.242 1.00 0.00 O ATOM 0 H TYR A 45 -7.480 3.743 2.139 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.628 3.705 2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.790 5.455 4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.151 5.314 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.017 6.126 1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.531 6.778 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.341 7.918 0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.835 8.565 2.351 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.396 10.231 0.640 1.00 0.00 H new ATOM 658 N VAL A 46 -5.111 2.194 4.850 1.00 0.00 N ATOM 659 CA VAL A 46 -5.412 1.091 5.727 1.00 0.00 C ATOM 660 C VAL A 46 -4.335 0.771 6.770 1.00 0.00 C ATOM 661 O VAL A 46 -3.327 1.463 6.865 1.00 0.00 O ATOM 662 CB VAL A 46 -5.509 -0.086 4.779 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.133 -0.621 4.445 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.472 -1.120 5.313 1.00 0.00 C ATOM 0 H VAL A 46 -4.121 2.428 4.769 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.303 1.323 6.310 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.930 0.241 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.227 -1.466 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.543 0.164 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.637 -0.946 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.528 -1.958 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.123 -1.475 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.460 -0.674 5.424 1.00 0.00 H new ATOM 674 N LYS A 47 -4.522 -0.369 7.475 1.00 0.00 N ATOM 675 CA LYS A 47 -3.503 -0.854 8.422 1.00 0.00 C ATOM 676 C LYS A 47 -2.630 -1.793 7.618 1.00 0.00 C ATOM 677 O LYS A 47 -1.467 -2.050 7.927 1.00 0.00 O ATOM 678 CB LYS A 47 -4.091 -1.592 9.635 1.00 0.00 C ATOM 679 CG LYS A 47 -4.654 -2.969 9.315 1.00 0.00 C ATOM 680 CD LYS A 47 -4.704 -3.855 10.554 1.00 0.00 C ATOM 681 CE LYS A 47 -5.408 -3.166 11.715 1.00 0.00 C ATOM 682 NZ LYS A 47 -6.241 -4.117 12.502 1.00 0.00 N ATOM 0 H LYS A 47 -5.353 -0.957 7.406 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.958 -0.009 8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.315 -1.696 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.882 -0.981 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.657 -2.866 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.040 -3.445 8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.221 -4.784 10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.690 -4.122 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.666 -2.707 12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.037 -2.362 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.217 -3.763 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.235 -5.049 12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.853 -4.205 13.463 1.00 0.00 H new ATOM 696 N ALA A 48 -3.243 -2.229 6.523 1.00 0.00 N ATOM 697 CA ALA A 48 -2.676 -3.045 5.536 1.00 0.00 C ATOM 698 C ALA A 48 -2.731 -4.523 5.886 1.00 0.00 C ATOM 699 O ALA A 48 -3.749 -5.001 6.365 1.00 0.00 O ATOM 700 CB ALA A 48 -1.322 -2.514 5.264 1.00 0.00 C ATOM 0 H ALA A 48 -4.213 -1.988 6.318 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.257 -3.007 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.840 -3.121 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.398 -1.484 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.729 -2.545 6.178 1.00 0.00 H new ATOM 706 N VAL A 49 -1.683 -5.262 5.576 1.00 0.00 N ATOM 707 CA VAL A 49 -1.692 -6.685 5.754 1.00 0.00 C ATOM 708 C VAL A 49 -1.512 -7.227 7.146 1.00 0.00 C ATOM 709 O VAL A 49 -0.670 -6.802 7.937 1.00 0.00 O ATOM 710 CB VAL A 49 -0.632 -7.302 4.890 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.087 -7.272 3.457 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.694 -6.603 5.092 1.00 0.00 C ATOM 0 H VAL A 49 -0.813 -4.888 5.197 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.711 -6.955 5.478 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.478 -8.343 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.321 -7.719 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.015 -7.836 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.255 -6.240 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.449 -7.065 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.594 -5.550 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.996 -6.689 6.136 1.00 0.00 H new ATOM 722 N ILE A 50 -2.335 -8.243 7.366 1.00 0.00 N ATOM 723 CA ILE A 50 -2.377 -9.020 8.586 1.00 0.00 C ATOM 724 C ILE A 50 -0.966 -9.328 9.080 1.00 0.00 C ATOM 725 O ILE A 50 -0.002 -9.219 8.321 1.00 0.00 O ATOM 726 CB ILE A 50 -3.137 -10.351 8.308 1.00 0.00 C ATOM 727 CG1 ILE A 50 -4.036 -10.729 9.487 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.180 -11.482 7.968 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.415 -11.193 9.068 1.00 0.00 C ATOM 0 H ILE A 50 -3.014 -8.556 6.672 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.891 -8.446 9.357 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.773 -10.187 7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.554 -11.519 10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.136 -9.868 10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.747 -12.394 7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.609 -11.220 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.497 -11.644 8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.999 -11.445 9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.915 -10.396 8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.325 -12.073 8.431 1.00 0.00 H new ATOM 741 N PRO A 51 -0.819 -9.728 10.347 1.00 0.00 N ATOM 742 CA PRO A 51 0.480 -10.059 10.912 1.00 0.00 C ATOM 743 C PRO A 51 0.953 -11.438 10.508 1.00 0.00 C ATOM 744 O PRO A 51 2.147 -11.731 10.479 1.00 0.00 O ATOM 745 CB PRO A 51 0.255 -10.000 12.429 1.00 0.00 C ATOM 746 CG PRO A 51 -1.175 -9.595 12.622 1.00 0.00 C ATOM 747 CD PRO A 51 -1.885 -9.893 11.334 1.00 0.00 C ATOM 0 HA PRO A 51 1.251 -9.374 10.559 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.451 -10.968 12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.930 -9.282 12.895 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.625 -10.145 13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.247 -8.536 12.868 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.299 -10.901 11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.713 -9.206 11.157 1.00 0.00 H new ATOM 755 N GLN A 52 -0.008 -12.267 10.220 1.00 0.00 N ATOM 756 CA GLN A 52 0.246 -13.649 9.829 1.00 0.00 C ATOM 757 C GLN A 52 0.350 -13.824 8.316 1.00 0.00 C ATOM 758 O GLN A 52 0.253 -14.942 7.809 1.00 0.00 O ATOM 759 CB GLN A 52 -0.836 -14.573 10.392 1.00 0.00 C ATOM 760 CG GLN A 52 -2.234 -14.251 9.890 1.00 0.00 C ATOM 761 CD GLN A 52 -3.301 -15.098 10.554 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.836 -16.028 9.951 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.615 -14.781 11.805 1.00 0.00 N ATOM 0 H GLN A 52 -0.996 -12.016 10.246 1.00 0.00 H new ATOM 0 HA GLN A 52 1.213 -13.921 10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.594 -15.603 10.131 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.826 -14.509 11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.447 -13.197 10.071 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.273 -14.404 8.811 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.146 -14.002 12.267 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.325 -15.317 12.304 1.00 0.00 H new ATOM 772 N GLY A 53 0.573 -12.731 7.601 1.00 0.00 N ATOM 773 CA GLY A 53 0.715 -12.815 6.159 1.00 0.00 C ATOM 774 C GLY A 53 -0.564 -12.500 5.405 1.00 0.00 C ATOM 775 O GLY A 53 -0.857 -11.342 5.123 1.00 0.00 O ATOM 0 H GLY A 53 0.658 -11.792 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.496 -12.125 5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.047 -13.818 5.892 1.00 0.00 H new ATOM 779 N ALA A 54 -1.333 -13.537 5.090 1.00 0.00 N ATOM 780 CA ALA A 54 -2.592 -13.389 4.375 1.00 0.00 C ATOM 781 C ALA A 54 -2.506 -12.343 3.244 1.00 0.00 C ATOM 782 O ALA A 54 -1.876 -12.613 2.223 1.00 0.00 O ATOM 783 CB ALA A 54 -3.678 -13.101 5.376 1.00 0.00 C ATOM 0 H ALA A 54 -1.100 -14.502 5.324 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.833 -14.320 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.630 -12.987 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.748 -13.926 6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.444 -12.181 5.912 1.00 0.00 H new ATOM 789 N ALA A 55 -3.117 -11.152 3.400 1.00 0.00 N ATOM 790 CA ALA A 55 -3.043 -10.133 2.354 1.00 0.00 C ATOM 791 C ALA A 55 -1.595 -9.897 2.014 1.00 0.00 C ATOM 792 O ALA A 55 -1.217 -9.664 0.872 1.00 0.00 O ATOM 793 CB ALA A 55 -3.699 -8.841 2.793 1.00 0.00 C ATOM 0 H ALA A 55 -3.654 -10.883 4.224 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.582 -10.486 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.626 -8.105 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.749 -9.025 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.195 -8.461 3.682 1.00 0.00 H new ATOM 799 N GLU A 56 -0.800 -9.983 3.054 1.00 0.00 N ATOM 800 CA GLU A 56 0.641 -9.813 2.966 1.00 0.00 C ATOM 801 C GLU A 56 1.200 -10.815 1.955 1.00 0.00 C ATOM 802 O GLU A 56 2.157 -10.533 1.233 1.00 0.00 O ATOM 803 CB GLU A 56 1.250 -10.009 4.350 1.00 0.00 C ATOM 804 CG GLU A 56 2.586 -9.308 4.539 1.00 0.00 C ATOM 805 CD GLU A 56 3.761 -10.264 4.470 1.00 0.00 C ATOM 806 OE1 GLU A 56 3.740 -11.284 5.189 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.702 -9.991 3.695 1.00 0.00 O ATOM 0 H GLU A 56 -1.134 -10.175 3.998 1.00 0.00 H new ATOM 0 HA GLU A 56 0.893 -8.809 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.549 -9.643 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.382 -11.076 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.701 -8.541 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.592 -8.800 5.503 1.00 0.00 H new ATOM 814 N SER A 57 0.530 -11.957 1.874 1.00 0.00 N ATOM 815 CA SER A 57 0.852 -13.003 0.919 1.00 0.00 C ATOM 816 C SER A 57 0.286 -12.552 -0.403 1.00 0.00 C ATOM 817 O SER A 57 0.949 -12.610 -1.437 1.00 0.00 O ATOM 818 CB SER A 57 0.250 -14.346 1.344 1.00 0.00 C ATOM 819 OG SER A 57 1.263 -15.314 1.559 1.00 0.00 O ATOM 0 H SER A 57 -0.261 -12.183 2.477 1.00 0.00 H new ATOM 0 HA SER A 57 1.929 -13.158 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.332 -14.215 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.438 -14.699 0.576 1.00 0.00 H new ATOM 0 HG SER A 57 0.853 -16.162 1.831 1.00 0.00 H new ATOM 825 N ASP A 58 -0.922 -11.982 -0.325 1.00 0.00 N ATOM 826 CA ASP A 58 -1.548 -11.383 -1.481 1.00 0.00 C ATOM 827 C ASP A 58 -0.614 -10.285 -1.944 1.00 0.00 C ATOM 828 O ASP A 58 -0.632 -9.864 -3.100 1.00 0.00 O ATOM 829 CB ASP A 58 -2.925 -10.811 -1.121 1.00 0.00 C ATOM 830 CG ASP A 58 -3.449 -9.832 -2.153 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.305 -10.108 -3.362 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.005 -8.790 -1.747 1.00 0.00 O ATOM 0 H ASP A 58 -1.475 -11.929 0.531 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.712 -12.120 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.635 -11.631 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.863 -10.312 -0.154 1.00 0.00 H new ATOM 837 N GLY A 59 0.207 -9.821 -0.993 1.00 0.00 N ATOM 838 CA GLY A 59 1.144 -8.764 -1.289 1.00 0.00 C ATOM 839 C GLY A 59 0.432 -7.457 -1.429 1.00 0.00 C ATOM 840 O GLY A 59 0.623 -6.745 -2.403 1.00 0.00 O ATOM 0 H GLY A 59 0.232 -10.163 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.888 -8.696 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.681 -8.993 -2.210 1.00 0.00 H new ATOM 844 N ARG A 60 -0.386 -7.150 -0.432 1.00 0.00 N ATOM 845 CA ARG A 60 -1.156 -5.922 -0.410 1.00 0.00 C ATOM 846 C ARG A 60 -0.706 -5.108 0.775 1.00 0.00 C ATOM 847 O ARG A 60 -1.490 -4.768 1.660 1.00 0.00 O ATOM 848 CB ARG A 60 -2.653 -6.238 -0.317 1.00 0.00 C ATOM 849 CG ARG A 60 -3.550 -5.007 -0.318 1.00 0.00 C ATOM 850 CD ARG A 60 -3.369 -4.176 -1.578 1.00 0.00 C ATOM 851 NE ARG A 60 -3.474 -2.743 -1.308 1.00 0.00 N ATOM 852 CZ ARG A 60 -2.443 -1.971 -0.966 1.00 0.00 C ATOM 853 NH1 ARG A 60 -1.224 -2.483 -0.855 1.00 0.00 N ATOM 854 NH2 ARG A 60 -2.633 -0.680 -0.736 1.00 0.00 N ATOM 0 H ARG A 60 -0.532 -7.747 0.382 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.994 -5.356 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.931 -6.878 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.837 -6.808 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.592 -5.317 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.328 -4.395 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.395 -4.392 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.121 -4.463 -2.313 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.393 -2.307 -1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.070 -3.476 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.441 -1.884 -0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.567 -0.279 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.845 -0.087 -0.474 1.00 0.00 H new ATOM 868 N ILE A 61 0.587 -4.856 0.809 1.00 0.00 N ATOM 869 CA ILE A 61 1.192 -4.172 1.863 1.00 0.00 C ATOM 870 C ILE A 61 1.270 -2.688 1.664 1.00 0.00 C ATOM 871 O ILE A 61 1.564 -2.197 0.577 1.00 0.00 O ATOM 872 CB ILE A 61 2.597 -4.683 2.061 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.274 -5.126 0.752 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.575 -5.820 3.050 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.310 -4.054 -0.316 1.00 0.00 C ATOM 0 H ILE A 61 1.235 -5.140 0.074 1.00 0.00 H new ATOM 0 HA ILE A 61 0.561 -4.356 2.732 1.00 0.00 H new ATOM 0 HB ILE A 61 3.193 -3.855 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.294 -5.441 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.749 -5.997 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.588 -6.194 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.177 -5.467 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.944 -6.623 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.803 -4.444 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.292 -3.755 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.861 -3.190 0.054 1.00 0.00 H new ATOM 887 N HIS A 62 1.056 -2.008 2.771 1.00 0.00 N ATOM 888 CA HIS A 62 1.135 -0.571 2.872 1.00 0.00 C ATOM 889 C HIS A 62 -0.093 -0.023 3.571 1.00 0.00 C ATOM 890 O HIS A 62 -1.189 0.006 3.014 1.00 0.00 O ATOM 891 CB HIS A 62 1.353 0.133 1.533 1.00 0.00 C ATOM 892 CG HIS A 62 2.809 0.272 1.218 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.482 -0.575 0.364 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.735 1.133 1.700 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.762 -0.246 0.341 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.939 0.788 1.142 1.00 0.00 N ATOM 0 H HIS A 62 0.814 -2.459 3.654 1.00 0.00 H new ATOM 0 HA HIS A 62 2.022 -0.357 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.860 -0.430 0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.889 1.119 1.559 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.059 -1.336 -0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.559 1.941 2.395 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.531 -0.739 -0.235 1.00 0.00 H new ATOM 905 N LYS A 63 0.112 0.405 4.801 1.00 0.00 N ATOM 906 CA LYS A 63 -0.961 0.956 5.612 1.00 0.00 C ATOM 907 C LYS A 63 -1.160 2.414 5.273 1.00 0.00 C ATOM 908 O LYS A 63 -0.303 3.245 5.575 1.00 0.00 O ATOM 909 CB LYS A 63 -0.625 0.813 7.096 1.00 0.00 C ATOM 910 CG LYS A 63 0.746 1.358 7.464 1.00 0.00 C ATOM 911 CD LYS A 63 1.711 0.242 7.834 1.00 0.00 C ATOM 912 CE LYS A 63 2.793 0.733 8.781 1.00 0.00 C ATOM 913 NZ LYS A 63 2.261 0.994 10.147 1.00 0.00 N ATOM 0 H LYS A 63 1.020 0.382 5.266 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.880 0.408 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.383 1.332 7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.674 -0.240 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.150 1.926 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.651 2.050 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.162 -0.576 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.171 -0.157 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.589 -0.009 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.236 1.646 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.047 1.011 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.772 1.912 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.592 0.242 10.409 1.00 0.00 H new ATOM 927 N GLY A 64 -2.275 2.736 4.632 1.00 0.00 N ATOM 928 CA GLY A 64 -2.489 4.125 4.274 1.00 0.00 C ATOM 929 C GLY A 64 -1.673 4.505 3.071 1.00 0.00 C ATOM 930 O GLY A 64 -0.462 4.681 3.159 1.00 0.00 O ATOM 0 H GLY A 64 -3.013 2.086 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.546 4.292 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.223 4.766 5.115 1.00 0.00 H new ATOM 934 N ASP A 65 -2.344 4.603 1.943 1.00 0.00 N ATOM 935 CA ASP A 65 -1.684 4.940 0.681 1.00 0.00 C ATOM 936 C ASP A 65 -2.718 5.247 -0.390 1.00 0.00 C ATOM 937 O ASP A 65 -3.897 5.383 -0.070 1.00 0.00 O ATOM 938 CB ASP A 65 -0.809 3.772 0.258 1.00 0.00 C ATOM 939 CG ASP A 65 0.667 4.112 0.262 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.039 5.149 -0.328 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.452 3.343 0.853 1.00 0.00 O ATOM 0 H ASP A 65 -3.350 4.455 1.865 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.066 5.827 0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.985 2.931 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.100 3.449 -0.742 1.00 0.00 H new ATOM 946 N ARG A 66 -2.313 5.382 -1.665 1.00 0.00 N ATOM 947 CA ARG A 66 -3.322 5.685 -2.673 1.00 0.00 C ATOM 948 C ARG A 66 -3.319 4.806 -3.938 1.00 0.00 C ATOM 949 O ARG A 66 -2.480 4.943 -4.815 1.00 0.00 O ATOM 950 CB ARG A 66 -3.203 7.149 -3.089 1.00 0.00 C ATOM 951 CG ARG A 66 -3.212 8.113 -1.914 1.00 0.00 C ATOM 952 CD ARG A 66 -1.847 8.748 -1.694 1.00 0.00 C ATOM 953 NE ARG A 66 -1.892 10.202 -1.816 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.928 10.847 -2.980 1.00 0.00 C ATOM 955 NH1 ARG A 66 -1.921 10.172 -4.121 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.971 12.172 -3.001 1.00 0.00 N ATOM 0 H ARG A 66 -1.354 5.292 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.268 5.464 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.281 7.285 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.026 7.397 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.952 8.894 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.516 7.583 -1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.478 8.479 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.139 8.345 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.896 10.756 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.888 9.153 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.949 10.672 -5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.976 12.696 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.999 12.667 -3.892 1.00 0.00 H new ATOM 970 N VAL A 67 -4.331 3.953 -4.023 1.00 0.00 N ATOM 971 CA VAL A 67 -4.602 3.077 -5.100 1.00 0.00 C ATOM 972 C VAL A 67 -5.280 3.679 -6.283 1.00 0.00 C ATOM 973 O VAL A 67 -6.217 4.470 -6.172 1.00 0.00 O ATOM 974 CB VAL A 67 -5.490 1.939 -4.671 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.604 0.809 -4.433 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.336 2.248 -3.474 1.00 0.00 C ATOM 0 H VAL A 67 -5.020 3.867 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.601 2.763 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.220 1.725 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.191 -0.053 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.069 0.567 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.888 1.066 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.947 1.380 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.694 2.493 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.983 3.097 -3.695 1.00 0.00 H new ATOM 986 N LEU A 68 -4.849 3.196 -7.422 1.00 0.00 N ATOM 987 CA LEU A 68 -5.470 3.579 -8.659 1.00 0.00 C ATOM 988 C LEU A 68 -6.655 2.647 -8.895 1.00 0.00 C ATOM 989 O LEU A 68 -7.763 3.104 -9.176 1.00 0.00 O ATOM 990 CB LEU A 68 -4.491 3.520 -9.837 1.00 0.00 C ATOM 991 CG LEU A 68 -4.008 2.121 -10.228 1.00 0.00 C ATOM 992 CD1 LEU A 68 -4.992 1.459 -11.181 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.628 2.200 -10.862 1.00 0.00 C ATOM 0 H LEU A 68 -4.074 2.540 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.803 4.615 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.967 3.976 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.621 4.130 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.945 1.513 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.630 0.466 -11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.965 1.373 -10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.087 2.063 -12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.295 1.199 -11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.673 2.824 -11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.925 2.634 -10.151 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.429 1.332 -8.739 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.497 0.361 -8.894 1.00 0.00 C ATOM 1007 C ALA A 69 -7.445 -0.623 -7.753 1.00 0.00 C ATOM 1008 O ALA A 69 -6.365 -0.953 -7.292 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.396 -0.352 -10.234 1.00 0.00 C ATOM 0 H ALA A 69 -5.520 0.931 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.456 0.880 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.208 -1.074 -10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.468 0.378 -11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.440 -0.871 -10.299 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.587 -1.111 -7.327 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.647 -2.088 -6.264 1.00 0.00 C ATOM 1017 C VAL A 70 -9.368 -3.323 -6.768 1.00 0.00 C ATOM 1018 O VAL A 70 -10.293 -3.226 -7.571 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.336 -1.526 -5.027 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.786 -1.305 -5.343 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.160 -2.453 -3.835 1.00 0.00 C ATOM 0 H VAL A 70 -9.496 -0.844 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.631 -2.352 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.880 -0.574 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.292 -0.902 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.875 -0.599 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.246 -2.252 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.662 -2.027 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.594 -3.426 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.098 -2.571 -3.619 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.920 -4.481 -6.327 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.495 -5.746 -6.772 1.00 0.00 C ATOM 1033 C ASN A 71 -9.602 -5.774 -8.290 1.00 0.00 C ATOM 1034 O ASN A 71 -10.331 -6.589 -8.858 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.873 -5.926 -6.181 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.506 -7.255 -6.547 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.811 -8.221 -6.860 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.832 -7.309 -6.510 1.00 0.00 N ATOM 0 H ASN A 71 -8.156 -4.578 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.843 -6.554 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.810 -5.846 -5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.518 -5.116 -6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.314 -8.176 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.369 -6.483 -6.245 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.889 -4.868 -8.945 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.951 -4.810 -10.391 1.00 0.00 C ATOM 1047 C GLY A 72 -9.838 -3.684 -10.879 1.00 0.00 C ATOM 1048 O GLY A 72 -9.686 -3.219 -12.009 1.00 0.00 O ATOM 0 H GLY A 72 -8.276 -4.180 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.946 -4.678 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.326 -5.759 -10.776 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.742 -3.214 -10.021 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.605 -2.109 -10.392 1.00 0.00 C ATOM 1054 C VAL A 73 -10.880 -0.822 -10.077 1.00 0.00 C ATOM 1055 O VAL A 73 -10.193 -0.736 -9.072 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.991 -2.116 -9.665 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.781 -0.848 -9.978 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.785 -3.354 -10.056 1.00 0.00 C ATOM 0 H VAL A 73 -10.890 -3.578 -9.080 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.822 -2.207 -11.456 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.813 -2.141 -8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.740 -0.879 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.217 0.023 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.951 -0.781 -11.053 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.747 -3.346 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.948 -3.356 -11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.229 -4.248 -9.771 1.00 0.00 H new ATOM 1068 N SER A 74 -11.032 0.178 -10.913 1.00 0.00 N ATOM 1069 CA SER A 74 -10.369 1.436 -10.654 1.00 0.00 C ATOM 1070 C SER A 74 -11.184 2.159 -9.612 1.00 0.00 C ATOM 1071 O SER A 74 -12.335 2.521 -9.865 1.00 0.00 O ATOM 1072 CB SER A 74 -10.267 2.273 -11.931 1.00 0.00 C ATOM 1073 OG SER A 74 -11.505 2.308 -12.619 1.00 0.00 O ATOM 0 H SER A 74 -11.597 0.149 -11.762 1.00 0.00 H new ATOM 0 HA SER A 74 -9.352 1.266 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.958 3.288 -11.680 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.498 1.857 -12.582 1.00 0.00 H new ATOM 0 HG SER A 74 -12.237 2.389 -11.972 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.614 2.362 -8.424 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.338 3.016 -7.401 1.00 0.00 C ATOM 1081 C LEU A 75 -10.965 4.455 -7.436 1.00 0.00 C ATOM 1082 O LEU A 75 -10.191 4.937 -6.624 1.00 0.00 O ATOM 1083 CB LEU A 75 -11.004 2.421 -6.041 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.550 2.610 -5.621 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.439 2.790 -4.116 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.705 1.441 -6.084 1.00 0.00 C ATOM 0 H LEU A 75 -9.667 2.078 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.409 2.892 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.650 2.874 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.231 1.355 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.174 3.515 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.392 2.923 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.008 3.668 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.837 1.908 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.671 1.594 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.084 0.520 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.752 1.366 -7.170 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.527 5.147 -8.376 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.237 6.537 -8.500 1.00 0.00 C ATOM 1100 C GLU A 76 -12.272 7.325 -7.713 1.00 0.00 C ATOM 1101 O GLU A 76 -12.713 8.395 -8.129 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.227 6.968 -9.968 1.00 0.00 C ATOM 1103 CG GLU A 76 -9.837 6.993 -10.585 1.00 0.00 C ATOM 1104 CD GLU A 76 -9.872 6.987 -12.101 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -10.218 5.938 -12.682 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -9.552 8.032 -12.705 1.00 0.00 O ATOM 0 H GLU A 76 -12.183 4.775 -9.063 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.243 6.735 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.858 6.289 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.670 7.961 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.307 7.881 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.272 6.129 -10.235 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.692 6.744 -6.590 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.705 7.341 -5.771 1.00 0.00 C ATOM 1115 C GLY A 77 -14.985 6.543 -5.851 1.00 0.00 C ATOM 1116 O GLY A 77 -16.043 6.987 -5.407 1.00 0.00 O ATOM 0 H GLY A 77 -12.334 5.856 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.364 7.390 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.887 8.366 -6.095 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.872 5.347 -6.426 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.001 4.454 -6.577 1.00 0.00 C ATOM 1122 C ALA A 78 -16.314 3.772 -5.270 1.00 0.00 C ATOM 1123 O ALA A 78 -17.446 3.853 -4.798 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.723 3.423 -7.660 1.00 0.00 C ATOM 0 H ALA A 78 -13.996 4.978 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.868 5.044 -6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.582 2.760 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.544 3.930 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.843 2.839 -7.389 1.00 0.00 H new ATOM 1130 N THR A 79 -15.321 3.087 -4.678 1.00 0.00 N ATOM 1131 CA THR A 79 -15.533 2.393 -3.440 1.00 0.00 C ATOM 1132 C THR A 79 -16.950 2.051 -3.252 1.00 0.00 C ATOM 1133 O THR A 79 -17.402 1.063 -3.811 1.00 0.00 O ATOM 1134 CB THR A 79 -15.014 3.165 -2.256 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.859 4.543 -2.542 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.723 2.614 -1.866 1.00 0.00 C ATOM 0 H THR A 79 -14.375 3.012 -5.051 1.00 0.00 H new ATOM 0 HA THR A 79 -14.961 1.467 -3.502 1.00 0.00 H new ATOM 0 HB THR A 79 -15.742 3.073 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.996 5.064 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.336 3.165 -1.009 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.841 1.564 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.024 2.700 -2.698 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.634 2.856 -2.451 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.027 2.610 -2.171 1.00 0.00 C ATOM 1146 C HIS A 80 -19.343 1.162 -2.527 1.00 0.00 C ATOM 1147 O HIS A 80 -19.355 0.291 -1.661 1.00 0.00 O ATOM 1148 CB HIS A 80 -19.896 3.630 -2.916 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.267 3.156 -3.239 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.690 2.460 -4.294 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.374 3.390 -2.454 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.043 2.274 -4.154 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.433 2.846 -3.028 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.243 3.678 -1.990 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.249 2.742 -1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -19.971 4.534 -2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.394 3.907 -3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.376 3.931 -1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.682 1.748 -4.848 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.386 2.864 -2.665 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.547 0.897 -3.801 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.776 -0.464 -4.244 1.00 0.00 C ATOM 1164 C LYS A 81 -18.486 -1.283 -4.478 1.00 0.00 C ATOM 1165 O LYS A 81 -18.257 -2.328 -3.873 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.607 -0.456 -5.528 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.004 -1.843 -6.006 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.032 -1.773 -7.124 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.352 -3.154 -7.671 1.00 0.00 C ATOM 1170 NZ LYS A 81 -23.341 -3.095 -8.783 1.00 0.00 N ATOM 0 H LYS A 81 -19.559 1.598 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.309 -0.956 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.509 0.134 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.040 0.041 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.120 -2.375 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.411 -2.414 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.945 -1.307 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.655 -1.140 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.435 -3.626 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.744 -3.780 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.533 -4.057 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -24.225 -2.668 -8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -22.957 -2.519 -9.559 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.686 -0.794 -5.434 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.474 -1.490 -5.913 1.00 0.00 C ATOM 1186 C GLN A 82 -15.277 -1.553 -5.008 1.00 0.00 C ATOM 1187 O GLN A 82 -14.735 -2.633 -4.799 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.991 -0.817 -7.205 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.127 -0.423 -8.130 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.700 -0.268 -9.575 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -16.049 0.846 -9.885 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -16.953 -1.141 -10.406 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.857 0.097 -5.901 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.819 -2.519 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.412 0.071 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.320 -1.495 -7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.913 -1.176 -8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.559 0.516 -7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.456 -1.983 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.659 -1.023 -11.376 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.797 -0.420 -4.550 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.564 -0.452 -3.761 1.00 0.00 C ATOM 1203 C ALA A 83 -13.741 -0.932 -2.364 1.00 0.00 C ATOM 1204 O ALA A 83 -13.019 -1.809 -1.890 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.774 0.846 -3.846 1.00 0.00 C ATOM 0 H ALA A 83 -15.210 0.501 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.952 -1.217 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.871 0.763 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.500 1.038 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.385 1.669 -3.474 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.705 -0.393 -1.719 1.00 0.00 N ATOM 1212 CA VAL A 84 -14.976 -0.784 -0.370 1.00 0.00 C ATOM 1213 C VAL A 84 -15.367 -2.242 -0.338 1.00 0.00 C ATOM 1214 O VAL A 84 -14.955 -2.998 0.544 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.078 0.076 0.270 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -16.978 0.652 -0.792 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -16.894 -0.733 1.262 1.00 0.00 C ATOM 0 H VAL A 84 -15.327 0.323 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.068 -0.631 0.214 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.597 0.893 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.753 1.258 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.391 1.273 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.442 -0.158 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.666 -0.100 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.361 -1.574 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.241 -1.107 2.051 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.160 -2.630 -1.318 1.00 0.00 N ATOM 1228 CA GLU A 85 -16.603 -4.015 -1.406 1.00 0.00 C ATOM 1229 C GLU A 85 -15.440 -4.961 -1.578 1.00 0.00 C ATOM 1230 O GLU A 85 -15.469 -6.087 -1.085 1.00 0.00 O ATOM 1231 CB GLU A 85 -17.491 -4.230 -2.607 1.00 0.00 C ATOM 1232 CG GLU A 85 -18.440 -5.407 -2.464 1.00 0.00 C ATOM 1233 CD GLU A 85 -19.295 -5.618 -3.698 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -18.725 -5.741 -4.802 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -20.536 -5.660 -3.559 1.00 0.00 O ATOM 0 H GLU A 85 -16.509 -2.019 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.136 -4.214 -0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.073 -3.325 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.866 -4.384 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.865 -6.311 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.087 -5.245 -1.601 1.00 0.00 H new ATOM 1242 N THR A 86 -14.440 -4.530 -2.334 1.00 0.00 N ATOM 1243 CA THR A 86 -13.325 -5.412 -2.603 1.00 0.00 C ATOM 1244 C THR A 86 -12.520 -5.688 -1.347 1.00 0.00 C ATOM 1245 O THR A 86 -12.072 -6.807 -1.124 1.00 0.00 O ATOM 1246 CB THR A 86 -12.401 -4.908 -3.720 1.00 0.00 C ATOM 1247 OG1 THR A 86 -11.053 -5.241 -3.432 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.439 -3.425 -3.967 1.00 0.00 C ATOM 0 H THR A 86 -14.381 -3.604 -2.758 1.00 0.00 H new ATOM 0 HA THR A 86 -13.771 -6.342 -2.955 1.00 0.00 H new ATOM 0 HB THR A 86 -12.779 -5.402 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.959 -6.216 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.751 -3.173 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.450 -3.128 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.143 -2.897 -3.060 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.343 -4.669 -0.526 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.595 -4.830 0.713 1.00 0.00 C ATOM 1258 C LEU A 87 -12.317 -5.827 1.603 1.00 0.00 C ATOM 1259 O LEU A 87 -11.702 -6.645 2.285 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.442 -3.485 1.424 1.00 0.00 C ATOM 1261 CG LEU A 87 -11.077 -2.322 0.505 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -11.678 -1.020 1.009 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -9.565 -2.200 0.375 1.00 0.00 C ATOM 0 H LEU A 87 -12.702 -3.728 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.597 -5.205 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.376 -3.249 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.674 -3.579 2.192 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.494 -2.525 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.403 -0.208 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.764 -1.110 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.299 -0.807 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.323 -1.366 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.128 -2.025 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.160 -3.122 -0.043 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.638 -5.747 1.565 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.494 -6.634 2.338 1.00 0.00 C ATOM 1277 C ARG A 88 -14.594 -8.005 1.716 1.00 0.00 C ATOM 1278 O ARG A 88 -14.787 -8.993 2.424 1.00 0.00 O ATOM 1279 CB ARG A 88 -15.888 -6.027 2.503 1.00 0.00 C ATOM 1280 CG ARG A 88 -15.912 -4.793 3.390 1.00 0.00 C ATOM 1281 CD ARG A 88 -17.179 -3.979 3.179 1.00 0.00 C ATOM 1282 NE ARG A 88 -17.241 -2.823 4.071 1.00 0.00 N ATOM 1283 CZ ARG A 88 -17.597 -2.894 5.352 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -17.921 -4.061 5.894 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -17.627 -1.795 6.092 1.00 0.00 N ATOM 0 H ARG A 88 -14.146 -5.067 0.999 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.036 -6.749 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.280 -5.766 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.556 -6.779 2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.841 -5.094 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.041 -4.174 3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.225 -3.641 2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.050 -4.613 3.346 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.997 -1.909 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.898 -4.910 5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.193 -4.109 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.378 -0.896 5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.900 -1.848 7.073 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.501 -8.082 0.398 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.632 -9.360 -0.253 1.00 0.00 C ATOM 1301 C ASN A 89 -13.306 -9.943 -0.717 1.00 0.00 C ATOM 1302 O ASN A 89 -13.242 -11.093 -1.150 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.590 -9.241 -1.424 1.00 0.00 C ATOM 1304 CG ASN A 89 -16.921 -9.918 -1.164 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -16.986 -10.949 -0.493 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.993 -9.342 -1.695 1.00 0.00 N ATOM 0 H ASN A 89 -14.339 -7.290 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.026 -10.053 0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -15.760 -8.187 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.131 -9.680 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.916 -9.753 -1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.894 -8.488 -2.244 1.00 0.00 H new ATOM 1313 N THR A 90 -12.264 -9.146 -0.624 1.00 0.00 N ATOM 1314 CA THR A 90 -10.920 -9.559 -1.027 1.00 0.00 C ATOM 1315 C THR A 90 -10.667 -11.015 -0.654 1.00 0.00 C ATOM 1316 O THR A 90 -11.310 -11.554 0.246 1.00 0.00 O ATOM 1317 CB THR A 90 -9.870 -8.667 -0.365 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.352 -8.149 0.862 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.453 -7.494 -1.225 1.00 0.00 C ATOM 0 H THR A 90 -12.315 -8.192 -0.268 1.00 0.00 H new ATOM 0 HA THR A 90 -10.845 -9.458 -2.110 1.00 0.00 H new ATOM 0 HB THR A 90 -9.003 -9.310 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.665 -7.582 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.706 -6.902 -0.696 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.029 -7.861 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.323 -6.873 -1.440 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.728 -11.648 -1.342 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.424 -13.036 -1.047 1.00 0.00 C ATOM 1329 C GLY A 91 -9.845 -13.987 -2.153 1.00 0.00 C ATOM 1330 O GLY A 91 -8.994 -14.635 -2.763 1.00 0.00 O ATOM 0 H GLY A 91 -9.175 -11.232 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.352 -13.138 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.923 -13.322 -0.121 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.157 -14.078 -2.424 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.667 -14.965 -3.481 1.00 0.00 C ATOM 1336 C GLN A 92 -10.664 -15.024 -4.626 1.00 0.00 C ATOM 1337 O GLN A 92 -10.360 -16.087 -5.165 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.022 -14.469 -3.990 1.00 0.00 C ATOM 1339 CG GLN A 92 -13.044 -12.984 -4.311 1.00 0.00 C ATOM 1340 CD GLN A 92 -12.978 -12.708 -5.800 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -13.276 -13.576 -6.619 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -12.583 -11.491 -6.159 1.00 0.00 N ATOM 0 H GLN A 92 -11.878 -13.553 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.802 -15.965 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.292 -15.030 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.783 -14.681 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.953 -12.541 -3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.203 -12.497 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.345 -10.801 -5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.518 -11.247 -7.147 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.133 -13.856 -4.944 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.163 -13.658 -5.921 1.00 0.00 C ATOM 1353 C VAL A 93 -8.989 -12.176 -6.055 1.00 0.00 C ATOM 1354 O VAL A 93 -9.903 -11.464 -6.474 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.501 -14.310 -7.234 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.405 -13.444 -8.105 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.181 -14.583 -7.856 1.00 0.00 C ATOM 0 H VAL A 93 -10.407 -12.990 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.231 -14.136 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.083 -15.222 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.616 -13.964 -9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.339 -13.249 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.906 -12.499 -8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.327 -15.061 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.642 -13.645 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.603 -15.243 -7.209 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.865 -11.695 -5.591 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.652 -10.298 -5.558 1.00 0.00 C ATOM 1369 C VAL A 94 -6.510 -9.841 -6.424 1.00 0.00 C ATOM 1370 O VAL A 94 -5.415 -10.398 -6.432 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.381 -9.855 -4.148 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.960 -9.386 -4.108 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.358 -8.770 -3.692 1.00 0.00 C ATOM 0 H VAL A 94 -7.094 -12.260 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.564 -9.848 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.529 -10.681 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.715 -9.053 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.298 -10.205 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.830 -8.558 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.126 -8.479 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.268 -7.902 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.377 -9.155 -3.738 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.803 -8.784 -7.088 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.855 -8.089 -7.940 1.00 0.00 C ATOM 1385 C HIS A 95 -5.908 -6.594 -7.692 1.00 0.00 C ATOM 1386 O HIS A 95 -6.949 -5.975 -7.893 1.00 0.00 O ATOM 1387 CB HIS A 95 -6.099 -8.468 -9.376 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.720 -9.886 -9.558 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.455 -10.920 -9.060 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.601 -10.440 -10.042 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.782 -12.034 -9.231 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.671 -11.769 -9.837 1.00 0.00 N ATOM 0 H HIS A 95 -7.727 -8.352 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.838 -8.395 -7.696 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.148 -8.320 -9.634 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.515 -7.831 -10.040 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.785 -9.913 -10.514 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.105 -13.015 -8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.966 -12.452 -10.113 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.821 -6.010 -7.205 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.822 -4.630 -6.896 1.00 0.00 C ATOM 1403 C LEU A 96 -3.711 -3.820 -7.453 1.00 0.00 C ATOM 1404 O LEU A 96 -2.560 -4.178 -7.360 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.786 -4.446 -5.407 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.957 -3.673 -5.013 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.422 -4.016 -3.605 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.716 -2.179 -5.207 1.00 0.00 C ATOM 0 H LEU A 96 -3.939 -6.490 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.736 -4.267 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.783 -5.413 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.873 -3.930 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.778 -3.953 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.297 -3.416 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.681 -5.074 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.622 -3.805 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.605 -1.625 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.869 -1.865 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.502 -1.978 -6.257 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.090 -2.655 -7.927 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.130 -1.692 -8.395 1.00 0.00 C ATOM 1422 C LEU A 97 -3.118 -0.504 -7.441 1.00 0.00 C ATOM 1423 O LEU A 97 -4.106 0.220 -7.322 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.475 -1.234 -9.802 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.976 -2.171 -10.877 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.496 -1.757 -12.245 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.456 -2.207 -10.854 1.00 0.00 C ATOM 0 H LEU A 97 -5.062 -2.354 -7.997 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.142 -2.151 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.557 -1.136 -9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.051 -0.244 -9.968 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.354 -3.174 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.122 -2.448 -13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.586 -1.778 -12.242 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.153 -0.748 -12.474 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.096 -2.883 -11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.066 -1.206 -11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.115 -2.558 -9.880 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.998 -0.331 -6.756 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.834 0.751 -5.777 1.00 0.00 C ATOM 1441 C LEU A 98 -0.888 1.826 -6.263 1.00 0.00 C ATOM 1442 O LEU A 98 0.026 1.564 -7.039 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.305 0.175 -4.465 1.00 0.00 C ATOM 1444 CG LEU A 98 0.080 0.668 -4.017 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.056 1.910 -3.143 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.787 -0.460 -3.299 1.00 0.00 C ATOM 0 H LEU A 98 -1.178 -0.929 -6.857 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.812 1.209 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.022 0.404 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.269 -0.910 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 98 0.678 0.956 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.933 2.247 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.548 2.701 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.650 1.671 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.772 -0.124 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.202 -0.761 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.897 -1.309 -3.974 1.00 0.00 H new ATOM 1458 N GLU A 99 -1.094 3.027 -5.753 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.226 4.150 -6.091 1.00 0.00 C ATOM 1460 C GLU A 99 0.290 4.841 -4.835 1.00 0.00 C ATOM 1461 O GLU A 99 -0.476 5.339 -4.012 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.925 5.155 -7.010 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.767 4.508 -8.094 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.269 4.831 -9.490 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -0.151 4.394 -9.837 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -1.995 5.522 -10.235 1.00 0.00 O ATOM 0 H GLU A 99 -1.850 3.253 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 99 0.626 3.743 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.561 5.804 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.173 5.791 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.766 3.427 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.800 4.842 -7.994 1.00 0.00 H new ATOM 1473 N LYS A 100 1.604 4.841 -4.688 1.00 0.00 N ATOM 1474 CA LYS A 100 2.247 5.432 -3.535 1.00 0.00 C ATOM 1475 C LYS A 100 2.061 6.937 -3.470 1.00 0.00 C ATOM 1476 O LYS A 100 2.327 7.660 -4.430 1.00 0.00 O ATOM 1477 CB LYS A 100 3.732 5.094 -3.562 1.00 0.00 C ATOM 1478 CG LYS A 100 4.250 4.598 -2.232 1.00 0.00 C ATOM 1479 CD LYS A 100 3.397 3.444 -1.727 1.00 0.00 C ATOM 1480 CE LYS A 100 4.230 2.206 -1.439 1.00 0.00 C ATOM 1481 NZ LYS A 100 5.501 2.530 -0.727 1.00 0.00 N ATOM 0 H LYS A 100 2.250 4.432 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 100 1.777 5.015 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.912 4.334 -4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.295 5.979 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.286 4.275 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.241 5.410 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.874 3.749 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.635 3.204 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.646 1.510 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.460 1.700 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.310 2.222 -1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.559 3.556 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.521 2.038 0.189 1.00 0.00 H new ATOM 1495 N GLY A 101 1.615 7.392 -2.308 1.00 0.00 N ATOM 1496 CA GLY A 101 1.406 8.803 -2.081 1.00 0.00 C ATOM 1497 C GLY A 101 1.032 9.065 -0.641 1.00 0.00 C ATOM 1498 O GLY A 101 0.220 9.939 -0.338 1.00 0.00 O ATOM 0 H GLY A 101 1.392 6.798 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.312 9.354 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.617 9.169 -2.739 1.00 0.00 H new ATOM 1502 N GLN A 102 1.629 8.276 0.242 1.00 0.00 N ATOM 1503 CA GLN A 102 1.383 8.368 1.668 1.00 0.00 C ATOM 1504 C GLN A 102 1.623 9.785 2.188 1.00 0.00 C ATOM 1505 O GLN A 102 0.684 10.567 2.343 1.00 0.00 O ATOM 1506 CB GLN A 102 2.279 7.373 2.407 1.00 0.00 C ATOM 1507 CG GLN A 102 1.867 5.916 2.234 1.00 0.00 C ATOM 1508 CD GLN A 102 2.163 5.083 3.466 1.00 0.00 C ATOM 1509 OE1 GLN A 102 2.572 5.608 4.502 1.00 0.00 O ATOM 1510 NE2 GLN A 102 1.957 3.776 3.360 1.00 0.00 N ATOM 0 H GLN A 102 2.300 7.552 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 102 0.337 8.124 1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.304 7.494 2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.275 7.617 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.801 5.866 2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.391 5.492 1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.617 3.383 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.138 3.165 4.156 1.00 0.00 H new ATOM 1519 N SER A 103 2.884 10.108 2.466 1.00 0.00 N ATOM 1520 CA SER A 103 3.242 11.426 2.979 1.00 0.00 C ATOM 1521 C SER A 103 3.402 12.442 1.847 1.00 0.00 C ATOM 1522 O SER A 103 2.649 13.413 1.769 1.00 0.00 O ATOM 1523 CB SER A 103 4.532 11.344 3.798 1.00 0.00 C ATOM 1524 OG SER A 103 4.302 11.704 5.149 1.00 0.00 O ATOM 0 H SER A 103 3.674 9.474 2.344 1.00 0.00 H new ATOM 0 HA SER A 103 2.430 11.764 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.932 10.331 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.284 12.004 3.365 1.00 0.00 H new ATOM 0 HG SER A 103 5.141 11.642 5.651 1.00 0.00 H new ATOM 1530 N PRO A 104 4.389 12.242 0.954 1.00 0.00 N ATOM 1531 CA PRO A 104 4.637 13.156 -0.162 1.00 0.00 C ATOM 1532 C PRO A 104 3.504 13.200 -1.144 1.00 0.00 C ATOM 1533 O PRO A 104 2.588 12.378 -1.113 1.00 0.00 O ATOM 1534 CB PRO A 104 5.909 12.611 -0.815 1.00 0.00 C ATOM 1535 CG PRO A 104 5.965 11.181 -0.404 1.00 0.00 C ATOM 1536 CD PRO A 104 5.344 11.120 0.964 1.00 0.00 C ATOM 0 HA PRO A 104 4.738 14.185 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.870 12.710 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.791 13.155 -0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.421 10.551 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.994 10.821 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.843 10.167 1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.091 11.234 1.750 1.00 0.00 H new ATOM 1544 N THR A 105 3.561 14.202 -1.996 1.00 0.00 N ATOM 1545 CA THR A 105 2.527 14.407 -2.972 1.00 0.00 C ATOM 1546 C THR A 105 2.415 13.217 -3.921 1.00 0.00 C ATOM 1547 O THR A 105 2.998 12.160 -3.680 1.00 0.00 O ATOM 1548 CB THR A 105 2.773 15.696 -3.759 1.00 0.00 C ATOM 1549 OG1 THR A 105 3.666 16.547 -3.063 1.00 0.00 O ATOM 1550 CG2 THR A 105 1.507 16.482 -4.027 1.00 0.00 C ATOM 0 H THR A 105 4.317 14.886 -2.027 1.00 0.00 H new ATOM 0 HA THR A 105 1.582 14.501 -2.437 1.00 0.00 H new ATOM 0 HB THR A 105 3.194 15.377 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.811 17.365 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.751 17.384 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.815 15.870 -4.606 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.043 16.758 -3.080 1.00 0.00 H new ATOM 1558 N SER A 106 1.663 13.399 -5.002 1.00 0.00 N ATOM 1559 CA SER A 106 1.476 12.343 -5.989 1.00 0.00 C ATOM 1560 C SER A 106 2.303 12.618 -7.241 1.00 0.00 C ATOM 1561 O SER A 106 1.922 12.232 -8.347 1.00 0.00 O ATOM 1562 CB SER A 106 -0.004 12.219 -6.360 1.00 0.00 C ATOM 1563 OG SER A 106 -0.215 11.151 -7.267 1.00 0.00 O ATOM 0 H SER A 106 1.174 14.268 -5.216 1.00 0.00 H new ATOM 0 HA SER A 106 1.814 11.404 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.596 12.057 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.350 13.152 -6.805 1.00 0.00 H new ATOM 0 HG SER A 106 0.484 11.162 -7.954 1.00 0.00 H new ATOM 1569 N LYS A 107 3.436 13.288 -7.059 1.00 0.00 N ATOM 1570 CA LYS A 107 4.318 13.616 -8.174 1.00 0.00 C ATOM 1571 C LYS A 107 5.778 13.384 -7.798 1.00 0.00 C ATOM 1572 O LYS A 107 6.478 12.602 -8.441 1.00 0.00 O ATOM 1573 CB LYS A 107 4.115 15.070 -8.601 1.00 0.00 C ATOM 1574 CG LYS A 107 4.976 15.483 -9.785 1.00 0.00 C ATOM 1575 CD LYS A 107 5.700 16.793 -9.520 1.00 0.00 C ATOM 1576 CE LYS A 107 4.722 17.929 -9.263 1.00 0.00 C ATOM 1577 NZ LYS A 107 4.573 18.214 -7.810 1.00 0.00 N ATOM 0 H LYS A 107 3.765 13.615 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 107 4.067 12.961 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.066 15.222 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.337 15.722 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.704 14.700 -9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.351 15.585 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.359 16.678 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.330 17.041 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.066 18.827 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.750 17.674 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.596 18.013 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.228 17.614 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.791 19.215 -7.628 1.00 0.00 H new ATOM 1591 N GLU A 108 6.231 14.068 -6.754 1.00 0.00 N ATOM 1592 CA GLU A 108 7.608 13.937 -6.292 1.00 0.00 C ATOM 1593 C GLU A 108 7.889 12.517 -5.816 1.00 0.00 C ATOM 1594 O GLU A 108 8.339 11.694 -6.642 1.00 0.00 O ATOM 1595 CB GLU A 108 7.887 14.931 -5.164 1.00 0.00 C ATOM 1596 CG GLU A 108 9.313 15.455 -5.153 1.00 0.00 C ATOM 1597 CD GLU A 108 10.168 14.797 -4.087 1.00 0.00 C ATOM 1598 OE1 GLU A 108 10.425 13.580 -4.201 1.00 0.00 O ATOM 1599 OE2 GLU A 108 10.580 15.499 -3.139 1.00 0.00 O ATOM 1600 OXT GLU A 108 7.659 12.238 -4.621 1.00 0.00 O ATOM 0 H GLU A 108 5.665 14.720 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 108 8.268 14.157 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.200 15.773 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.678 14.451 -4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.765 15.288 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.299 16.532 -4.988 1.00 0.00 H new TER 1607 GLU A 108