USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -4.29! C(o=-4.3!,f=-8.1!) USER MOD Set 2.1: A 5 ASN : amide:sc= -3.26! C(o=-3!,f=-3.7!) USER MOD Set 2.2: A 13 THR OG1 : rot 141:sc= 0.263 USER MOD Set 3.1: A 4 HIS : no HE2:sc= -3.38! C(o=-6!,f=-9!) USER MOD Set 3.2: A 6 GLN : amide:sc= -2.61! C(o=-6!,f=-6.4!) USER MOD Single : A 1 LEU N :NH3+ 137:sc= 0.0242 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0.182 (180deg=0.163) USER MOD Single : A 16 THR OG1 : rot -47:sc= 0.303 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.0155 USER MOD Single : A 25 LYS NZ :NH3+ 142:sc= -1.92 (180deg=-3.99!) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 0.488 (180deg=0.19) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0.0919 (180deg=0.00771) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.00053 X(o=0.00053,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.53! USER MOD Single : A 60 ASN : amide:sc= -3.06! C(o=-3.1!,f=-19!) USER MOD Single : A 61 ASN : amide:sc= -0.642 K(o=-0.64,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.212 -15.235 2.129 1.00 0.00 N ATOM 2 CA LEU A 1 -5.824 -14.244 1.140 1.00 0.00 C ATOM 3 C LEU A 1 -4.643 -13.431 1.676 1.00 0.00 C ATOM 4 O LEU A 1 -4.638 -13.030 2.839 1.00 0.00 O ATOM 5 CB LEU A 1 -7.027 -13.388 0.738 1.00 0.00 C ATOM 6 CG LEU A 1 -6.721 -12.166 -0.130 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.546 -12.565 -1.597 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.790 -11.086 0.046 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.249 -15.266 2.201 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.857 -16.169 1.842 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.808 -14.980 3.053 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.488 -14.731 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.735 -14.021 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.526 -13.048 1.646 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.775 -11.740 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.329 -11.678 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.721 -13.272 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.463 -13.030 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.548 -10.229 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.762 -11.485 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.823 -10.773 1.090 1.00 0.00 H new ATOM 22 N GLU A 2 -3.672 -13.213 0.802 1.00 0.00 N ATOM 23 CA GLU A 2 -2.488 -12.456 1.172 1.00 0.00 C ATOM 24 C GLU A 2 -2.477 -11.104 0.456 1.00 0.00 C ATOM 25 O GLU A 2 -2.925 -10.999 -0.685 1.00 0.00 O ATOM 26 CB GLU A 2 -1.214 -13.247 0.870 1.00 0.00 C ATOM 27 CG GLU A 2 -1.404 -14.732 1.184 1.00 0.00 C ATOM 28 CD GLU A 2 -1.661 -14.950 2.676 1.00 0.00 C ATOM 29 OE1 GLU A 2 -1.087 -14.173 3.470 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.425 -15.888 2.990 1.00 0.00 O ATOM 0 H GLU A 2 -3.681 -13.547 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.518 -12.276 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.946 -13.125 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.387 -12.850 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.241 -15.125 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.517 -15.288 0.879 1.00 0.00 H new ATOM 37 N CYS A 3 -1.960 -10.104 1.154 1.00 0.00 N ATOM 38 CA CYS A 3 -1.885 -8.763 0.599 1.00 0.00 C ATOM 39 C CYS A 3 -0.518 -8.173 0.953 1.00 0.00 C ATOM 40 O CYS A 3 -0.046 -8.323 2.078 1.00 0.00 O ATOM 41 CB CYS A 3 -3.033 -7.881 1.093 1.00 0.00 C ATOM 42 SG CYS A 3 -4.685 -8.665 1.032 1.00 0.00 S ATOM 0 H CYS A 3 -1.589 -10.195 2.100 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.991 -8.809 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.826 -7.582 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.056 -6.970 0.494 1.00 0.00 H new ATOM 47 N HIS A 4 0.078 -7.514 -0.030 1.00 0.00 N ATOM 48 CA HIS A 4 1.381 -6.900 0.164 1.00 0.00 C ATOM 49 C HIS A 4 1.288 -5.831 1.255 1.00 0.00 C ATOM 50 O HIS A 4 0.340 -5.048 1.282 1.00 0.00 O ATOM 51 CB HIS A 4 1.925 -6.353 -1.157 1.00 0.00 C ATOM 52 CG HIS A 4 2.626 -7.386 -2.007 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.983 -7.641 -1.910 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.144 -8.224 -2.969 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.293 -8.591 -2.780 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.152 -8.951 -3.435 1.00 0.00 N ATOM 0 H HIS A 4 -0.317 -7.392 -0.962 1.00 0.00 H new ATOM 0 HA HIS A 4 2.095 -7.652 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.101 -5.926 -1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.620 -5.541 -0.944 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.634 -7.177 -1.277 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.117 -8.286 -3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.276 -9.007 -2.942 1.00 0.00 H new ATOM 65 N ASN A 5 2.285 -5.834 2.127 1.00 0.00 N ATOM 66 CA ASN A 5 2.327 -4.874 3.218 1.00 0.00 C ATOM 67 C ASN A 5 3.576 -4.001 3.074 1.00 0.00 C ATOM 68 O ASN A 5 3.932 -3.267 3.994 1.00 0.00 O ATOM 69 CB ASN A 5 2.399 -5.582 4.572 1.00 0.00 C ATOM 70 CG ASN A 5 3.822 -6.059 4.868 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.761 -5.283 4.945 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.930 -7.374 5.029 1.00 0.00 N ATOM 0 H ASN A 5 3.070 -6.485 2.101 1.00 0.00 H new ATOM 0 HA ASN A 5 1.419 -4.272 3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.068 -4.904 5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.718 -6.433 4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.839 -7.790 5.230 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.104 -7.967 4.952 1.00 0.00 H new ATOM 79 N GLN A 6 4.205 -4.111 1.914 1.00 0.00 N ATOM 80 CA GLN A 6 5.406 -3.341 1.639 1.00 0.00 C ATOM 81 C GLN A 6 5.054 -1.868 1.419 1.00 0.00 C ATOM 82 O GLN A 6 4.023 -1.555 0.825 1.00 0.00 O ATOM 83 CB GLN A 6 6.159 -3.910 0.434 1.00 0.00 C ATOM 84 CG GLN A 6 5.192 -4.270 -0.696 1.00 0.00 C ATOM 85 CD GLN A 6 5.843 -4.056 -2.064 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.406 -3.014 -2.356 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.735 -5.098 -2.883 1.00 0.00 N ATOM 0 H GLN A 6 3.906 -4.721 1.154 1.00 0.00 H new ATOM 0 HA GLN A 6 6.065 -3.412 2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.886 -3.180 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.718 -4.796 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.881 -5.310 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.292 -3.660 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.250 -5.941 -2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.137 -5.054 -3.819 1.00 0.00 H new ATOM 96 N GLN A 7 5.929 -1.003 1.910 1.00 0.00 N ATOM 97 CA GLN A 7 5.723 0.428 1.775 1.00 0.00 C ATOM 98 C GLN A 7 6.684 1.007 0.735 1.00 0.00 C ATOM 99 O GLN A 7 7.703 0.395 0.417 1.00 0.00 O ATOM 100 CB GLN A 7 5.883 1.135 3.123 1.00 0.00 C ATOM 101 CG GLN A 7 7.000 0.493 3.949 1.00 0.00 C ATOM 102 CD GLN A 7 7.565 1.483 4.970 1.00 0.00 C ATOM 103 OE1 GLN A 7 7.574 2.686 4.767 1.00 0.00 O ATOM 104 NE2 GLN A 7 8.034 0.911 6.075 1.00 0.00 N ATOM 0 H GLN A 7 6.783 -1.266 2.402 1.00 0.00 H new ATOM 0 HA GLN A 7 4.702 0.597 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.106 2.190 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.945 1.089 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.616 -0.387 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.797 0.153 3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.995 -0.103 6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.432 1.486 6.817 1.00 0.00 H new ATOM 113 N SER A 8 6.327 2.180 0.233 1.00 0.00 N ATOM 114 CA SER A 8 7.145 2.848 -0.764 1.00 0.00 C ATOM 115 C SER A 8 7.800 1.814 -1.681 1.00 0.00 C ATOM 116 O SER A 8 7.146 0.874 -2.130 1.00 0.00 O ATOM 117 CB SER A 8 8.212 3.725 -0.105 1.00 0.00 C ATOM 118 OG SER A 8 7.688 4.470 0.991 1.00 0.00 O ATOM 0 H SER A 8 5.482 2.685 0.499 1.00 0.00 H new ATOM 0 HA SER A 8 6.499 3.494 -1.358 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.033 3.098 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.626 4.410 -0.845 1.00 0.00 H new ATOM 0 HG SER A 8 8.400 5.016 1.386 1.00 0.00 H new ATOM 124 N SER A 9 9.085 2.023 -1.933 1.00 0.00 N ATOM 125 CA SER A 9 9.836 1.120 -2.789 1.00 0.00 C ATOM 126 C SER A 9 10.470 0.009 -1.949 1.00 0.00 C ATOM 127 O SER A 9 11.152 -0.865 -2.482 1.00 0.00 O ATOM 128 CB SER A 9 10.912 1.873 -3.573 1.00 0.00 C ATOM 129 OG SER A 9 10.401 2.434 -4.778 1.00 0.00 O ATOM 0 H SER A 9 9.624 2.804 -1.559 1.00 0.00 H new ATOM 0 HA SER A 9 9.146 0.675 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.325 2.667 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.731 1.193 -3.808 1.00 0.00 H new ATOM 0 HG SER A 9 11.119 2.908 -5.248 1.00 0.00 H new ATOM 135 N GLN A 10 10.222 0.079 -0.649 1.00 0.00 N ATOM 136 CA GLN A 10 10.760 -0.909 0.270 1.00 0.00 C ATOM 137 C GLN A 10 10.591 -2.317 -0.306 1.00 0.00 C ATOM 138 O GLN A 10 9.890 -2.504 -1.300 1.00 0.00 O ATOM 139 CB GLN A 10 10.100 -0.796 1.645 1.00 0.00 C ATOM 140 CG GLN A 10 10.067 0.658 2.120 1.00 0.00 C ATOM 141 CD GLN A 10 11.411 1.346 1.873 1.00 0.00 C ATOM 142 OE1 GLN A 10 12.466 0.735 1.908 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.314 2.648 1.622 1.00 0.00 N ATOM 0 H GLN A 10 9.655 0.805 -0.211 1.00 0.00 H new ATOM 0 HA GLN A 10 11.825 -0.715 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.085 -1.190 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.646 -1.405 2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.277 1.197 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.827 0.692 3.183 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.399 3.098 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.155 3.197 1.444 1.00 0.00 H new ATOM 152 N PRO A 11 11.244 -3.270 0.343 1.00 0.00 N ATOM 153 CA PRO A 11 11.225 -4.685 -0.031 1.00 0.00 C ATOM 154 C PRO A 11 9.788 -5.210 -0.009 1.00 0.00 C ATOM 155 O PRO A 11 9.064 -5.003 0.964 1.00 0.00 O ATOM 156 CB PRO A 11 12.043 -5.362 1.071 1.00 0.00 C ATOM 157 CG PRO A 11 12.935 -4.266 1.579 1.00 0.00 C ATOM 158 CD PRO A 11 12.076 -3.035 1.525 1.00 0.00 C ATOM 0 HA PRO A 11 11.620 -4.868 -1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.403 -5.755 1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.621 -6.201 0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.276 -4.469 2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.825 -4.158 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.474 -2.922 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.674 -2.129 1.425 1.00 0.00 H new ATOM 166 N PRO A 12 9.418 -5.878 -1.092 1.00 0.00 N ATOM 167 CA PRO A 12 8.092 -6.467 -1.286 1.00 0.00 C ATOM 168 C PRO A 12 7.803 -7.476 -0.172 1.00 0.00 C ATOM 169 O PRO A 12 8.579 -8.406 0.043 1.00 0.00 O ATOM 170 CB PRO A 12 8.210 -7.193 -2.627 1.00 0.00 C ATOM 171 CG PRO A 12 9.313 -6.459 -3.335 1.00 0.00 C ATOM 172 CD PRO A 12 10.289 -6.118 -2.245 1.00 0.00 C ATOM 0 HA PRO A 12 7.290 -5.729 -1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.453 -8.247 -2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.277 -7.151 -3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.775 -7.079 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.940 -5.562 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.989 -6.932 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.882 -5.238 -2.494 1.00 0.00 H new ATOM 180 N THR A 13 6.686 -7.259 0.506 1.00 0.00 N ATOM 181 CA THR A 13 6.286 -8.138 1.592 1.00 0.00 C ATOM 182 C THR A 13 4.811 -8.521 1.453 1.00 0.00 C ATOM 183 O THR A 13 4.113 -8.008 0.579 1.00 0.00 O ATOM 184 CB THR A 13 6.610 -7.436 2.912 1.00 0.00 C ATOM 185 OG1 THR A 13 6.299 -6.068 2.663 1.00 0.00 O ATOM 186 CG2 THR A 13 8.109 -7.428 3.219 1.00 0.00 C ATOM 0 H THR A 13 6.045 -6.487 0.324 1.00 0.00 H new ATOM 0 HA THR A 13 6.837 -9.078 1.563 1.00 0.00 H new ATOM 0 HB THR A 13 6.076 -7.928 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.877 -5.679 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.284 -6.918 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.472 -8.454 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.641 -6.907 2.423 1.00 0.00 H new ATOM 194 N THR A 14 4.381 -9.419 2.327 1.00 0.00 N ATOM 195 CA THR A 14 3.002 -9.876 2.313 1.00 0.00 C ATOM 196 C THR A 14 2.518 -10.154 3.737 1.00 0.00 C ATOM 197 O THR A 14 3.324 -10.373 4.639 1.00 0.00 O ATOM 198 CB THR A 14 2.919 -11.097 1.394 1.00 0.00 C ATOM 199 OG1 THR A 14 4.125 -11.810 1.652 1.00 0.00 O ATOM 200 CG2 THR A 14 3.016 -10.723 -0.087 1.00 0.00 C ATOM 0 H THR A 14 4.963 -9.842 3.050 1.00 0.00 H new ATOM 0 HA THR A 14 2.335 -9.109 1.921 1.00 0.00 H new ATOM 0 HB THR A 14 1.982 -11.623 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.152 -12.618 1.098 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.952 -11.625 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.198 -10.051 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.968 -10.226 -0.275 1.00 0.00 H new ATOM 208 N LYS A 15 1.202 -10.136 3.894 1.00 0.00 N ATOM 209 CA LYS A 15 0.601 -10.383 5.194 1.00 0.00 C ATOM 210 C LYS A 15 -0.765 -11.044 5.001 1.00 0.00 C ATOM 211 O LYS A 15 -1.447 -10.791 4.009 1.00 0.00 O ATOM 212 CB LYS A 15 0.549 -9.092 6.014 1.00 0.00 C ATOM 213 CG LYS A 15 0.604 -9.393 7.513 1.00 0.00 C ATOM 214 CD LYS A 15 -0.801 -9.586 8.086 1.00 0.00 C ATOM 215 CE LYS A 15 -0.772 -10.500 9.313 1.00 0.00 C ATOM 216 NZ LYS A 15 -2.051 -10.413 10.054 1.00 0.00 N ATOM 0 H LYS A 15 0.536 -9.954 3.143 1.00 0.00 H new ATOM 0 HA LYS A 15 1.213 -11.076 5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.384 -8.448 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.366 -8.546 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.197 -10.291 7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.104 -8.576 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.222 -8.618 8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.453 -10.014 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.594 -11.530 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.053 -10.216 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.069 -11.135 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.141 -9.469 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.843 -10.574 9.399 1.00 0.00 H new ATOM 230 N THR A 16 -1.124 -11.879 5.965 1.00 0.00 N ATOM 231 CA THR A 16 -2.397 -12.579 5.914 1.00 0.00 C ATOM 232 C THR A 16 -3.536 -11.644 6.323 1.00 0.00 C ATOM 233 O THR A 16 -3.468 -10.995 7.366 1.00 0.00 O ATOM 234 CB THR A 16 -2.287 -13.825 6.795 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.983 -14.331 6.519 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.225 -14.946 6.343 1.00 0.00 C ATOM 0 H THR A 16 -0.556 -12.087 6.786 1.00 0.00 H new ATOM 0 HA THR A 16 -2.631 -12.901 4.899 1.00 0.00 H new ATOM 0 HB THR A 16 -2.510 -13.560 7.828 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.839 -14.353 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.107 -15.807 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.256 -14.596 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.980 -15.235 5.321 1.00 0.00 H new ATOM 244 N CYS A 17 -4.558 -11.605 5.481 1.00 0.00 N ATOM 245 CA CYS A 17 -5.711 -10.760 5.742 1.00 0.00 C ATOM 246 C CYS A 17 -6.624 -11.486 6.733 1.00 0.00 C ATOM 247 O CYS A 17 -7.075 -12.599 6.466 1.00 0.00 O ATOM 248 CB CYS A 17 -6.447 -10.392 4.452 1.00 0.00 C ATOM 249 SG CYS A 17 -5.359 -10.005 3.032 1.00 0.00 S ATOM 0 H CYS A 17 -4.612 -12.145 4.617 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.382 -9.816 6.176 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.102 -11.218 4.175 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.086 -9.531 4.648 1.00 0.00 H new ATOM 254 N SER A 18 -6.870 -10.826 7.855 1.00 0.00 N ATOM 255 CA SER A 18 -7.721 -11.395 8.886 1.00 0.00 C ATOM 256 C SER A 18 -9.107 -10.749 8.835 1.00 0.00 C ATOM 257 O SER A 18 -9.246 -9.549 9.066 1.00 0.00 O ATOM 258 CB SER A 18 -7.102 -11.213 10.273 1.00 0.00 C ATOM 259 OG SER A 18 -5.678 -11.202 10.225 1.00 0.00 O ATOM 0 H SER A 18 -6.495 -9.903 8.073 1.00 0.00 H new ATOM 0 HA SER A 18 -7.818 -12.464 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.457 -10.279 10.709 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.436 -12.018 10.928 1.00 0.00 H new ATOM 0 HG SER A 18 -5.321 -11.082 11.130 1.00 0.00 H new ATOM 265 N GLY A 19 -10.098 -11.575 8.531 1.00 0.00 N ATOM 266 CA GLY A 19 -11.469 -11.099 8.447 1.00 0.00 C ATOM 267 C GLY A 19 -11.710 -10.351 7.134 1.00 0.00 C ATOM 268 O GLY A 19 -12.851 -10.043 6.792 1.00 0.00 O ATOM 0 H GLY A 19 -9.979 -12.570 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.156 -11.942 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.681 -10.440 9.289 1.00 0.00 H new ATOM 272 N GLU A 20 -10.618 -10.081 6.435 1.00 0.00 N ATOM 273 CA GLU A 20 -10.696 -9.376 5.167 1.00 0.00 C ATOM 274 C GLU A 20 -10.517 -10.353 4.004 1.00 0.00 C ATOM 275 O GLU A 20 -10.020 -11.462 4.191 1.00 0.00 O ATOM 276 CB GLU A 20 -9.663 -8.250 5.102 1.00 0.00 C ATOM 277 CG GLU A 20 -9.542 -7.537 6.450 1.00 0.00 C ATOM 278 CD GLU A 20 -8.482 -6.435 6.395 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.318 -6.782 6.099 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.859 -5.271 6.650 1.00 0.00 O ATOM 0 H GLU A 20 -9.674 -10.338 6.723 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.684 -8.923 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.694 -8.657 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.949 -7.533 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.505 -7.107 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.282 -8.258 7.225 1.00 0.00 H new ATOM 287 N THR A 21 -10.932 -9.905 2.827 1.00 0.00 N ATOM 288 CA THR A 21 -10.824 -10.726 1.634 1.00 0.00 C ATOM 289 C THR A 21 -10.419 -9.869 0.432 1.00 0.00 C ATOM 290 O THR A 21 -10.548 -10.299 -0.713 1.00 0.00 O ATOM 291 CB THR A 21 -12.154 -11.456 1.439 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.138 -10.453 1.677 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.415 -12.498 2.528 1.00 0.00 C ATOM 0 H THR A 21 -11.343 -8.984 2.675 1.00 0.00 H new ATOM 0 HA THR A 21 -10.039 -11.475 1.739 1.00 0.00 H new ATOM 0 HB THR A 21 -12.162 -11.941 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.032 -10.840 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.371 -12.987 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.619 -13.243 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.441 -12.008 3.501 1.00 0.00 H new ATOM 301 N ASN A 22 -9.938 -8.672 0.735 1.00 0.00 N ATOM 302 CA ASN A 22 -9.514 -7.752 -0.306 1.00 0.00 C ATOM 303 C ASN A 22 -8.170 -7.132 0.084 1.00 0.00 C ATOM 304 O ASN A 22 -7.829 -7.074 1.264 1.00 0.00 O ATOM 305 CB ASN A 22 -10.524 -6.617 -0.483 1.00 0.00 C ATOM 306 CG ASN A 22 -11.897 -7.162 -0.883 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.250 -7.233 -2.049 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.649 -7.542 0.146 1.00 0.00 N ATOM 0 H ASN A 22 -9.833 -8.319 1.686 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.433 -8.311 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.609 -6.053 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.168 -5.924 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.582 -7.920 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.292 -7.456 1.098 1.00 0.00 H new ATOM 315 N CYS A 23 -7.445 -6.684 -0.931 1.00 0.00 N ATOM 316 CA CYS A 23 -6.147 -6.070 -0.709 1.00 0.00 C ATOM 317 C CYS A 23 -6.216 -4.616 -1.178 1.00 0.00 C ATOM 318 O CYS A 23 -6.769 -4.328 -2.238 1.00 0.00 O ATOM 319 CB CYS A 23 -5.028 -6.844 -1.410 1.00 0.00 C ATOM 320 SG CYS A 23 -4.994 -8.638 -1.051 1.00 0.00 S ATOM 0 H CYS A 23 -7.732 -6.734 -1.909 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.907 -6.096 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.128 -6.705 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.070 -6.412 -1.121 1.00 0.00 H new ATOM 325 N TYR A 24 -5.646 -3.738 -0.366 1.00 0.00 N ATOM 326 CA TYR A 24 -5.637 -2.320 -0.684 1.00 0.00 C ATOM 327 C TYR A 24 -4.206 -1.809 -0.869 1.00 0.00 C ATOM 328 O TYR A 24 -3.271 -2.345 -0.276 1.00 0.00 O ATOM 329 CB TYR A 24 -6.267 -1.613 0.517 1.00 0.00 C ATOM 330 CG TYR A 24 -5.306 -1.401 1.688 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.547 -0.250 1.759 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.198 -2.360 2.675 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.643 -0.050 2.861 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.294 -2.160 3.778 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.561 -1.015 3.816 1.00 0.00 C ATOM 336 OH TYR A 24 -2.706 -0.826 4.858 1.00 0.00 O ATOM 0 H TYR A 24 -5.187 -3.981 0.512 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.179 -2.132 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.651 -0.645 0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.121 -2.196 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.632 0.501 0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.792 -3.261 2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.044 0.846 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.200 -2.902 4.557 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.918 -1.460 5.575 1.00 0.00 H new ATOM 346 N LYS A 25 -4.081 -0.779 -1.693 1.00 0.00 N ATOM 347 CA LYS A 25 -2.781 -0.190 -1.962 1.00 0.00 C ATOM 348 C LYS A 25 -2.928 1.328 -2.082 1.00 0.00 C ATOM 349 O LYS A 25 -3.583 1.821 -2.999 1.00 0.00 O ATOM 350 CB LYS A 25 -2.140 -0.845 -3.188 1.00 0.00 C ATOM 351 CG LYS A 25 -0.914 -0.056 -3.653 1.00 0.00 C ATOM 352 CD LYS A 25 -0.727 -0.175 -5.167 1.00 0.00 C ATOM 353 CE LYS A 25 -0.854 -1.630 -5.622 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.260 -1.945 -5.960 1.00 0.00 N ATOM 0 H LYS A 25 -4.859 -0.337 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.098 -0.379 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.849 -1.868 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.868 -0.902 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.026 0.993 -3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.024 -0.426 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.471 0.436 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.252 0.214 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.217 -1.803 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.505 -2.296 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.286 -2.572 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.713 -2.420 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.771 -1.065 -6.175 1.00 0.00 H new ATOM 368 N LYS A 26 -2.308 2.026 -1.142 1.00 0.00 N ATOM 369 CA LYS A 26 -2.362 3.478 -1.131 1.00 0.00 C ATOM 370 C LYS A 26 -0.983 4.038 -1.484 1.00 0.00 C ATOM 371 O LYS A 26 0.038 3.496 -1.063 1.00 0.00 O ATOM 372 CB LYS A 26 -2.907 3.984 0.206 1.00 0.00 C ATOM 373 CG LYS A 26 -2.156 3.351 1.379 1.00 0.00 C ATOM 374 CD LYS A 26 -2.312 4.191 2.648 1.00 0.00 C ATOM 375 CE LYS A 26 -2.265 3.311 3.898 1.00 0.00 C ATOM 376 NZ LYS A 26 -3.626 2.854 4.262 1.00 0.00 N ATOM 0 H LYS A 26 -1.766 1.613 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.057 3.839 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.814 5.069 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.969 3.751 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.534 2.344 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.099 3.255 1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.519 4.937 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.257 4.733 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.621 2.450 3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.829 3.869 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.709 2.802 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.328 3.526 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.797 1.913 3.853 1.00 0.00 H new ATOM 390 N TRP A 27 -0.997 5.117 -2.253 1.00 0.00 N ATOM 391 CA TRP A 27 0.240 5.757 -2.667 1.00 0.00 C ATOM 392 C TRP A 27 -0.056 7.235 -2.930 1.00 0.00 C ATOM 393 O TRP A 27 -1.152 7.583 -3.366 1.00 0.00 O ATOM 394 CB TRP A 27 0.847 5.045 -3.877 1.00 0.00 C ATOM 395 CG TRP A 27 0.025 5.186 -5.160 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.170 6.090 -6.137 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.083 4.355 -5.566 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.760 5.905 -7.140 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.546 4.816 -6.782 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.675 3.251 -4.928 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.621 4.233 -7.464 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.748 2.680 -5.622 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.226 3.132 -6.847 1.00 0.00 C ATOM 0 H TRP A 27 -1.846 5.564 -2.600 1.00 0.00 H new ATOM 0 HA TRP A 27 0.992 5.687 -1.881 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.847 5.440 -4.054 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.959 3.986 -3.644 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.921 6.867 -6.140 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.853 6.464 -7.988 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.329 2.873 -3.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.965 4.612 -8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.239 1.829 -5.175 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.060 2.636 -7.320 1.00 0.00 H new ATOM 414 N TRP A 28 0.940 8.064 -2.654 1.00 0.00 N ATOM 415 CA TRP A 28 0.799 9.496 -2.855 1.00 0.00 C ATOM 416 C TRP A 28 2.202 10.098 -2.962 1.00 0.00 C ATOM 417 O TRP A 28 3.193 9.424 -2.685 1.00 0.00 O ATOM 418 CB TRP A 28 -0.039 10.126 -1.741 1.00 0.00 C ATOM 419 CG TRP A 28 0.603 10.042 -0.355 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.254 11.004 0.313 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.630 8.888 0.511 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.696 10.557 1.541 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.304 9.229 1.666 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.101 7.599 0.326 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.513 8.337 2.724 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.317 6.718 1.393 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.995 7.046 2.561 1.00 0.00 C ATOM 0 H TRP A 28 1.848 7.771 -2.293 1.00 0.00 H new ATOM 0 HA TRP A 28 0.259 9.705 -3.778 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.219 11.173 -1.984 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.011 9.635 -1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.413 12.004 -0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.215 11.101 2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.430 7.311 -0.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.045 8.628 3.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.070 5.714 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.122 6.308 3.340 1.00 0.00 H new ATOM 438 N SER A 29 2.240 11.360 -3.363 1.00 0.00 N ATOM 439 CA SER A 29 3.504 12.061 -3.510 1.00 0.00 C ATOM 440 C SER A 29 3.692 13.049 -2.356 1.00 0.00 C ATOM 441 O SER A 29 2.753 13.743 -1.971 1.00 0.00 O ATOM 442 CB SER A 29 3.577 12.792 -4.852 1.00 0.00 C ATOM 443 OG SER A 29 4.919 13.091 -5.225 1.00 0.00 O ATOM 0 H SER A 29 1.415 11.915 -3.591 1.00 0.00 H new ATOM 0 HA SER A 29 4.308 11.325 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.114 12.178 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.003 13.717 -4.793 1.00 0.00 H new ATOM 0 HG SER A 29 4.923 13.556 -6.088 1.00 0.00 H new ATOM 449 N ASP A 30 4.911 13.080 -1.839 1.00 0.00 N ATOM 450 CA ASP A 30 5.234 13.972 -0.738 1.00 0.00 C ATOM 451 C ASP A 30 6.485 14.779 -1.090 1.00 0.00 C ATOM 452 O ASP A 30 7.197 14.445 -2.037 1.00 0.00 O ATOM 453 CB ASP A 30 5.524 13.184 0.541 1.00 0.00 C ATOM 454 CG ASP A 30 5.692 14.036 1.801 1.00 0.00 C ATOM 455 OD1 ASP A 30 4.961 15.044 1.906 1.00 0.00 O ATOM 456 OD2 ASP A 30 6.547 13.659 2.631 1.00 0.00 O ATOM 0 H ASP A 30 5.687 12.502 -2.162 1.00 0.00 H new ATOM 0 HA ASP A 30 4.379 14.627 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.712 12.475 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.432 12.600 0.392 1.00 0.00 H new ATOM 461 N HIS A 31 6.715 15.825 -0.310 1.00 0.00 N ATOM 462 CA HIS A 31 7.867 16.682 -0.528 1.00 0.00 C ATOM 463 C HIS A 31 9.151 15.899 -0.243 1.00 0.00 C ATOM 464 O HIS A 31 10.247 16.366 -0.546 1.00 0.00 O ATOM 465 CB HIS A 31 7.757 17.962 0.302 1.00 0.00 C ATOM 466 CG HIS A 31 8.134 17.788 1.753 1.00 0.00 C ATOM 467 ND1 HIS A 31 7.268 17.258 2.694 1.00 0.00 N ATOM 468 CD2 HIS A 31 9.292 18.077 2.415 1.00 0.00 C ATOM 469 CE1 HIS A 31 7.887 17.235 3.866 1.00 0.00 C ATOM 470 NE2 HIS A 31 9.141 17.743 3.690 1.00 0.00 N ATOM 0 H HIS A 31 6.123 16.098 0.474 1.00 0.00 H new ATOM 0 HA HIS A 31 7.898 16.996 -1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.397 18.725 -0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.734 18.333 0.245 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.181 18.505 1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.472 16.877 4.797 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.847 17.849 4.419 1.00 0.00 H new ATOM 479 N ARG A 32 8.970 14.721 0.337 1.00 0.00 N ATOM 480 CA ARG A 32 10.100 13.869 0.666 1.00 0.00 C ATOM 481 C ARG A 32 10.231 12.741 -0.359 1.00 0.00 C ATOM 482 O ARG A 32 11.329 12.241 -0.601 1.00 0.00 O ATOM 483 CB ARG A 32 9.945 13.264 2.063 1.00 0.00 C ATOM 484 CG ARG A 32 11.192 12.472 2.459 1.00 0.00 C ATOM 485 CD ARG A 32 10.889 11.515 3.614 1.00 0.00 C ATOM 486 NE ARG A 32 10.611 12.283 4.849 1.00 0.00 N ATOM 487 CZ ARG A 32 10.635 11.758 6.081 1.00 0.00 C ATOM 488 NH1 ARG A 32 10.923 10.460 6.252 1.00 0.00 N ATOM 489 NH2 ARG A 32 10.370 12.530 7.144 1.00 0.00 N ATOM 0 H ARG A 32 8.059 14.337 0.587 1.00 0.00 H new ATOM 0 HA ARG A 32 10.998 14.487 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.768 14.057 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.073 12.611 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.557 11.908 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.987 13.159 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.032 10.890 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.735 10.846 3.774 1.00 0.00 H new ATOM 0 HE ARG A 32 10.387 13.274 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.124 9.871 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.941 10.061 7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.150 13.518 7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.388 12.130 8.082 1.00 0.00 H new ATOM 503 N GLY A 33 9.095 12.372 -0.933 1.00 0.00 N ATOM 504 CA GLY A 33 9.069 11.312 -1.927 1.00 0.00 C ATOM 505 C GLY A 33 7.693 10.646 -1.982 1.00 0.00 C ATOM 506 O GLY A 33 6.807 10.976 -1.194 1.00 0.00 O ATOM 0 H GLY A 33 8.186 12.788 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.319 11.721 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.828 10.567 -1.689 1.00 0.00 H new ATOM 510 N THR A 34 7.556 9.719 -2.919 1.00 0.00 N ATOM 511 CA THR A 34 6.303 9.004 -3.087 1.00 0.00 C ATOM 512 C THR A 34 6.128 7.967 -1.976 1.00 0.00 C ATOM 513 O THR A 34 6.911 7.024 -1.873 1.00 0.00 O ATOM 514 CB THR A 34 6.289 8.398 -4.492 1.00 0.00 C ATOM 515 OG1 THR A 34 6.102 9.519 -5.352 1.00 0.00 O ATOM 516 CG2 THR A 34 5.056 7.527 -4.742 1.00 0.00 C ATOM 0 H THR A 34 8.293 9.447 -3.570 1.00 0.00 H new ATOM 0 HA THR A 34 5.449 9.676 -2.999 1.00 0.00 H new ATOM 0 HB THR A 34 7.190 7.802 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.083 9.217 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.096 7.122 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.037 6.708 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.155 8.130 -4.628 1.00 0.00 H new ATOM 524 N ILE A 35 5.094 8.175 -1.173 1.00 0.00 N ATOM 525 CA ILE A 35 4.806 7.270 -0.074 1.00 0.00 C ATOM 526 C ILE A 35 3.779 6.232 -0.529 1.00 0.00 C ATOM 527 O ILE A 35 2.780 6.577 -1.158 1.00 0.00 O ATOM 528 CB ILE A 35 4.379 8.055 1.168 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.444 9.079 1.563 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.036 7.110 2.322 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.132 9.695 2.929 1.00 0.00 C ATOM 0 H ILE A 35 4.446 8.957 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 35 5.704 6.724 0.215 1.00 0.00 H new ATOM 0 HB ILE A 35 3.473 8.611 0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.422 8.599 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.496 9.864 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.736 7.693 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.218 6.454 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.910 6.509 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.904 10.420 3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.164 10.195 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.105 8.910 3.685 1.00 0.00 H new ATOM 543 N ILE A 36 4.061 4.981 -0.195 1.00 0.00 N ATOM 544 CA ILE A 36 3.173 3.890 -0.562 1.00 0.00 C ATOM 545 C ILE A 36 2.948 2.991 0.655 1.00 0.00 C ATOM 546 O ILE A 36 3.903 2.560 1.299 1.00 0.00 O ATOM 547 CB ILE A 36 3.716 3.147 -1.784 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.326 4.122 -2.793 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.634 2.269 -2.417 1.00 0.00 C ATOM 550 CD1 ILE A 36 4.906 3.375 -3.996 1.00 0.00 C ATOM 0 H ILE A 36 4.891 4.698 0.326 1.00 0.00 H new ATOM 0 HA ILE A 36 2.197 4.275 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 36 4.516 2.485 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.565 4.826 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.110 4.707 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.046 1.752 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.287 1.536 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.797 2.893 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.333 4.091 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.684 2.690 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.115 2.811 -4.490 1.00 0.00 H new ATOM 562 N GLU A 37 1.678 2.734 0.934 1.00 0.00 N ATOM 563 CA GLU A 37 1.315 1.894 2.062 1.00 0.00 C ATOM 564 C GLU A 37 0.325 0.813 1.622 1.00 0.00 C ATOM 565 O GLU A 37 -0.794 1.120 1.214 1.00 0.00 O ATOM 566 CB GLU A 37 0.740 2.731 3.206 1.00 0.00 C ATOM 567 CG GLU A 37 1.818 3.619 3.831 1.00 0.00 C ATOM 568 CD GLU A 37 2.905 2.774 4.498 1.00 0.00 C ATOM 569 OE1 GLU A 37 2.605 1.599 4.801 1.00 0.00 O ATOM 570 OE2 GLU A 37 4.012 3.323 4.691 1.00 0.00 O ATOM 0 H GLU A 37 0.888 3.093 0.398 1.00 0.00 H new ATOM 0 HA GLU A 37 2.217 1.405 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.076 3.351 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.319 2.073 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.264 4.251 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.365 4.283 4.567 1.00 0.00 H new ATOM 577 N ARG A 38 0.773 -0.430 1.719 1.00 0.00 N ATOM 578 CA ARG A 38 -0.059 -1.558 1.336 1.00 0.00 C ATOM 579 C ARG A 38 -0.411 -2.399 2.565 1.00 0.00 C ATOM 580 O ARG A 38 0.343 -2.431 3.536 1.00 0.00 O ATOM 581 CB ARG A 38 0.649 -2.441 0.307 1.00 0.00 C ATOM 582 CG ARG A 38 1.205 -1.602 -0.845 1.00 0.00 C ATOM 583 CD ARG A 38 2.009 -2.469 -1.816 1.00 0.00 C ATOM 584 NE ARG A 38 1.897 -1.929 -3.189 1.00 0.00 N ATOM 585 CZ ARG A 38 2.803 -1.120 -3.754 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.894 -0.752 -3.068 1.00 0.00 N ATOM 587 NH2 ARG A 38 2.619 -0.678 -5.006 1.00 0.00 N ATOM 0 H ARG A 38 1.702 -0.681 2.057 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.971 -1.161 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.460 -2.988 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.048 -3.183 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.385 -1.119 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.839 -0.809 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.055 -2.496 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.642 -3.495 -1.789 1.00 0.00 H new ATOM 0 HE ARG A 38 1.079 -2.189 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.035 -1.088 -2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.584 -0.136 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.789 -0.958 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.309 -0.062 -5.436 1.00 0.00 H new ATOM 601 N GLY A 39 -1.557 -3.059 2.482 1.00 0.00 N ATOM 602 CA GLY A 39 -2.018 -3.899 3.575 1.00 0.00 C ATOM 603 C GLY A 39 -3.258 -4.697 3.168 1.00 0.00 C ATOM 604 O GLY A 39 -3.724 -4.591 2.035 1.00 0.00 O ATOM 0 H GLY A 39 -2.180 -3.029 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.223 -4.583 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.248 -3.280 4.442 1.00 0.00 H new ATOM 608 N CYS A 40 -3.756 -5.479 4.114 1.00 0.00 N ATOM 609 CA CYS A 40 -4.933 -6.295 3.869 1.00 0.00 C ATOM 610 C CYS A 40 -6.174 -5.439 4.129 1.00 0.00 C ATOM 611 O CYS A 40 -6.125 -4.491 4.912 1.00 0.00 O ATOM 612 CB CYS A 40 -4.928 -7.566 4.720 1.00 0.00 C ATOM 613 SG CYS A 40 -3.880 -8.919 4.071 1.00 0.00 S ATOM 0 H CYS A 40 -3.366 -5.565 5.052 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.935 -6.631 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.589 -7.313 5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.952 -7.930 4.811 1.00 0.00 H new ATOM 618 N GLY A 41 -7.257 -5.803 3.459 1.00 0.00 N ATOM 619 CA GLY A 41 -8.508 -5.081 3.608 1.00 0.00 C ATOM 620 C GLY A 41 -8.678 -4.043 2.496 1.00 0.00 C ATOM 621 O GLY A 41 -7.959 -4.073 1.499 1.00 0.00 O ATOM 0 H GLY A 41 -7.294 -6.590 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.342 -5.783 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.533 -4.586 4.579 1.00 0.00 H new ATOM 625 N CYS A 42 -9.634 -3.149 2.706 1.00 0.00 N ATOM 626 CA CYS A 42 -9.907 -2.104 1.734 1.00 0.00 C ATOM 627 C CYS A 42 -10.386 -0.862 2.487 1.00 0.00 C ATOM 628 O CYS A 42 -11.572 -0.536 2.464 1.00 0.00 O ATOM 629 CB CYS A 42 -10.921 -2.561 0.683 1.00 0.00 C ATOM 630 SG CYS A 42 -11.433 -1.264 -0.503 1.00 0.00 S ATOM 0 H CYS A 42 -10.229 -3.127 3.535 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.996 -1.866 1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.495 -3.395 0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.807 -2.938 1.193 1.00 0.00 H new ATOM 635 N PRO A 43 -9.439 -0.201 3.137 1.00 0.00 N ATOM 636 CA PRO A 43 -9.673 1.013 3.921 1.00 0.00 C ATOM 637 C PRO A 43 -10.013 2.193 3.009 1.00 0.00 C ATOM 638 O PRO A 43 -10.075 2.041 1.790 1.00 0.00 O ATOM 639 CB PRO A 43 -8.335 1.241 4.629 1.00 0.00 C ATOM 640 CG PRO A 43 -7.333 0.612 3.705 1.00 0.00 C ATOM 641 CD PRO A 43 -8.030 -0.601 3.155 1.00 0.00 C ATOM 0 HA PRO A 43 -10.511 0.919 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.135 2.302 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.319 0.775 5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.044 1.298 2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.422 0.338 4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.671 -0.854 2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.869 -1.477 3.783 1.00 0.00 H new ATOM 649 N LYS A 44 -10.225 3.342 3.633 1.00 0.00 N ATOM 650 CA LYS A 44 -10.557 4.547 2.891 1.00 0.00 C ATOM 651 C LYS A 44 -9.426 5.565 3.047 1.00 0.00 C ATOM 652 O LYS A 44 -8.858 5.707 4.129 1.00 0.00 O ATOM 653 CB LYS A 44 -11.927 5.078 3.319 1.00 0.00 C ATOM 654 CG LYS A 44 -13.051 4.376 2.555 1.00 0.00 C ATOM 655 CD LYS A 44 -13.385 3.025 3.191 1.00 0.00 C ATOM 656 CE LYS A 44 -14.582 2.373 2.496 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.494 0.899 2.587 1.00 0.00 N ATOM 0 H LYS A 44 -10.173 3.465 4.644 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.644 4.328 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.061 4.927 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.977 6.152 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.939 5.008 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.754 4.230 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.520 2.365 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.605 3.162 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.509 2.717 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.613 2.678 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.051 0.470 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.500 0.604 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.868 0.585 3.505 1.00 0.00 H new ATOM 671 N VAL A 45 -9.132 6.248 1.951 1.00 0.00 N ATOM 672 CA VAL A 45 -8.079 7.249 1.952 1.00 0.00 C ATOM 673 C VAL A 45 -8.695 8.632 1.731 1.00 0.00 C ATOM 674 O VAL A 45 -9.838 8.743 1.289 1.00 0.00 O ATOM 675 CB VAL A 45 -7.018 6.894 0.909 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.473 5.482 1.140 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.571 7.043 -0.510 1.00 0.00 C ATOM 0 H VAL A 45 -9.605 6.128 1.055 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.573 7.269 2.917 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.191 7.595 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.720 5.254 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.022 5.423 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.288 4.761 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.796 6.784 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.424 6.377 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.887 8.074 -0.671 1.00 0.00 H new ATOM 687 N LYS A 46 -7.911 9.652 2.047 1.00 0.00 N ATOM 688 CA LYS A 46 -8.365 11.023 1.888 1.00 0.00 C ATOM 689 C LYS A 46 -8.104 11.479 0.452 1.00 0.00 C ATOM 690 O LYS A 46 -7.414 10.796 -0.304 1.00 0.00 O ATOM 691 CB LYS A 46 -7.727 11.925 2.946 1.00 0.00 C ATOM 692 CG LYS A 46 -7.635 11.208 4.295 1.00 0.00 C ATOM 693 CD LYS A 46 -7.408 12.207 5.432 1.00 0.00 C ATOM 694 CE LYS A 46 -8.737 12.762 5.947 1.00 0.00 C ATOM 695 NZ LYS A 46 -9.328 11.848 6.949 1.00 0.00 N ATOM 0 H LYS A 46 -6.964 9.556 2.413 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.440 11.090 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.731 12.225 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.315 12.837 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.552 10.647 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.819 10.486 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.873 11.720 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.779 13.026 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.579 13.745 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.429 12.895 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.230 12.240 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.497 10.918 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.674 11.742 7.750 1.00 0.00 H new ATOM 709 N PRO A 47 -8.668 12.630 0.118 1.00 0.00 N ATOM 710 CA PRO A 47 -8.551 13.256 -1.200 1.00 0.00 C ATOM 711 C PRO A 47 -7.079 13.516 -1.525 1.00 0.00 C ATOM 712 O PRO A 47 -6.336 14.025 -0.686 1.00 0.00 O ATOM 713 CB PRO A 47 -9.290 14.586 -1.037 1.00 0.00 C ATOM 714 CG PRO A 47 -10.250 14.326 0.087 1.00 0.00 C ATOM 715 CD PRO A 47 -9.488 13.435 1.027 1.00 0.00 C ATOM 0 HA PRO A 47 -8.954 12.638 -2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.604 15.398 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.812 14.869 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.552 15.253 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.159 13.843 -0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.876 14.010 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.155 12.815 1.627 1.00 0.00 H new ATOM 723 N GLY A 48 -6.700 13.154 -2.742 1.00 0.00 N ATOM 724 CA GLY A 48 -5.329 13.342 -3.185 1.00 0.00 C ATOM 725 C GLY A 48 -4.553 12.024 -3.140 1.00 0.00 C ATOM 726 O GLY A 48 -3.700 11.772 -3.989 1.00 0.00 O ATOM 0 H GLY A 48 -7.318 12.732 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.322 13.738 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.836 14.080 -2.552 1.00 0.00 H new ATOM 730 N VAL A 49 -4.877 11.217 -2.140 1.00 0.00 N ATOM 731 CA VAL A 49 -4.221 9.932 -1.972 1.00 0.00 C ATOM 732 C VAL A 49 -4.864 8.910 -2.911 1.00 0.00 C ATOM 733 O VAL A 49 -6.067 8.963 -3.163 1.00 0.00 O ATOM 734 CB VAL A 49 -4.269 9.507 -0.503 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.217 8.436 -0.207 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.098 10.714 0.422 1.00 0.00 C ATOM 0 H VAL A 49 -5.586 11.429 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.167 10.003 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.251 9.074 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.273 8.152 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.403 7.561 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.225 8.831 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.136 10.385 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.136 11.189 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.900 11.429 0.239 1.00 0.00 H new ATOM 746 N ASN A 50 -4.034 8.003 -3.405 1.00 0.00 N ATOM 747 CA ASN A 50 -4.506 6.970 -4.311 1.00 0.00 C ATOM 748 C ASN A 50 -4.751 5.680 -3.524 1.00 0.00 C ATOM 749 O ASN A 50 -4.044 5.394 -2.560 1.00 0.00 O ATOM 750 CB ASN A 50 -3.469 6.672 -5.396 1.00 0.00 C ATOM 751 CG ASN A 50 -3.418 7.798 -6.430 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.240 7.890 -7.327 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.411 8.648 -6.254 1.00 0.00 N ATOM 0 H ASN A 50 -3.037 7.962 -3.195 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.424 7.326 -4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.487 6.547 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.714 5.731 -5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.291 9.436 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.758 8.513 -5.482 1.00 0.00 H new ATOM 760 N LEU A 51 -5.756 4.937 -3.965 1.00 0.00 N ATOM 761 CA LEU A 51 -6.103 3.686 -3.315 1.00 0.00 C ATOM 762 C LEU A 51 -6.633 2.702 -4.360 1.00 0.00 C ATOM 763 O LEU A 51 -7.371 3.091 -5.265 1.00 0.00 O ATOM 764 CB LEU A 51 -7.071 3.934 -2.157 1.00 0.00 C ATOM 765 CG LEU A 51 -7.677 2.687 -1.510 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.583 1.729 -1.036 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.636 3.067 -0.379 1.00 0.00 C ATOM 0 H LEU A 51 -6.341 5.178 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.219 3.231 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.547 4.500 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.884 4.563 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.261 2.160 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.041 0.851 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.975 1.421 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.952 2.231 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.053 2.162 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.096 3.628 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.443 3.681 -0.778 1.00 0.00 H new ATOM 779 N ASN A 52 -6.237 1.448 -4.201 1.00 0.00 N ATOM 780 CA ASN A 52 -6.664 0.406 -5.119 1.00 0.00 C ATOM 781 C ASN A 52 -7.004 -0.858 -4.328 1.00 0.00 C ATOM 782 O ASN A 52 -6.159 -1.391 -3.610 1.00 0.00 O ATOM 783 CB ASN A 52 -5.552 0.058 -6.112 1.00 0.00 C ATOM 784 CG ASN A 52 -6.123 -0.622 -7.358 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.763 -0.006 -8.194 1.00 0.00 O ATOM 786 ND2 ASN A 52 -5.855 -1.922 -7.435 1.00 0.00 N ATOM 0 H ASN A 52 -5.625 1.130 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.534 0.773 -5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.020 0.965 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.826 -0.600 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.191 -2.466 -8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.313 -2.375 -6.699 1.00 0.00 H new ATOM 793 N CYS A 53 -8.242 -1.301 -4.486 1.00 0.00 N ATOM 794 CA CYS A 53 -8.704 -2.493 -3.795 1.00 0.00 C ATOM 795 C CYS A 53 -8.968 -3.581 -4.838 1.00 0.00 C ATOM 796 O CYS A 53 -9.440 -3.292 -5.936 1.00 0.00 O ATOM 797 CB CYS A 53 -9.943 -2.208 -2.942 1.00 0.00 C ATOM 798 SG CYS A 53 -9.711 -0.925 -1.658 1.00 0.00 S ATOM 0 H CYS A 53 -8.940 -0.856 -5.082 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.936 -2.835 -3.101 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.757 -1.902 -3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.255 -3.134 -2.459 1.00 0.00 H new ATOM 803 N CYS A 54 -8.651 -4.810 -4.457 1.00 0.00 N ATOM 804 CA CYS A 54 -8.847 -5.943 -5.345 1.00 0.00 C ATOM 805 C CYS A 54 -9.108 -7.185 -4.490 1.00 0.00 C ATOM 806 O CYS A 54 -8.828 -7.188 -3.292 1.00 0.00 O ATOM 807 CB CYS A 54 -7.655 -6.138 -6.285 1.00 0.00 C ATOM 808 SG CYS A 54 -6.021 -5.812 -5.530 1.00 0.00 S ATOM 0 H CYS A 54 -8.260 -5.046 -3.545 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.707 -5.759 -5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.669 -7.162 -6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.779 -5.482 -7.147 1.00 0.00 H new ATOM 813 N ARG A 55 -9.641 -8.209 -5.138 1.00 0.00 N ATOM 814 CA ARG A 55 -9.943 -9.454 -4.452 1.00 0.00 C ATOM 815 C ARG A 55 -9.025 -10.572 -4.952 1.00 0.00 C ATOM 816 O ARG A 55 -9.485 -11.677 -5.236 1.00 0.00 O ATOM 817 CB ARG A 55 -11.400 -9.864 -4.671 1.00 0.00 C ATOM 818 CG ARG A 55 -12.357 -8.817 -4.097 1.00 0.00 C ATOM 819 CD ARG A 55 -13.657 -8.762 -4.901 1.00 0.00 C ATOM 820 NE ARG A 55 -13.411 -8.134 -6.218 1.00 0.00 N ATOM 821 CZ ARG A 55 -13.371 -6.810 -6.424 1.00 0.00 C ATOM 822 NH1 ARG A 55 -13.561 -5.968 -5.399 1.00 0.00 N ATOM 823 NH2 ARG A 55 -13.142 -6.329 -7.653 1.00 0.00 N ATOM 0 H ARG A 55 -9.872 -8.203 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.779 -9.294 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.590 -9.990 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.585 -10.829 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.579 -9.054 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.878 -7.838 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.053 -9.768 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.409 -8.195 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.263 -8.747 -7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.736 -6.335 -4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.531 -4.960 -5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.998 -6.970 -8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.112 -5.321 -7.809 1.00 0.00 H new ATOM 837 N THR A 56 -7.744 -10.245 -5.044 1.00 0.00 N ATOM 838 CA THR A 56 -6.758 -11.208 -5.504 1.00 0.00 C ATOM 839 C THR A 56 -5.540 -11.208 -4.578 1.00 0.00 C ATOM 840 O THR A 56 -5.148 -10.163 -4.063 1.00 0.00 O ATOM 841 CB THR A 56 -6.416 -10.876 -6.958 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.494 -9.454 -7.017 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.493 -11.348 -7.936 1.00 0.00 C ATOM 0 H THR A 56 -7.367 -9.327 -4.808 1.00 0.00 H new ATOM 0 HA THR A 56 -7.152 -12.224 -5.471 1.00 0.00 H new ATOM 0 HB THR A 56 -5.462 -11.334 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.285 -9.152 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.200 -11.087 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.607 -12.429 -7.857 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.440 -10.864 -7.696 1.00 0.00 H new ATOM 851 N ASP A 57 -4.977 -12.394 -4.395 1.00 0.00 N ATOM 852 CA ASP A 57 -3.812 -12.544 -3.540 1.00 0.00 C ATOM 853 C ASP A 57 -2.659 -11.711 -4.105 1.00 0.00 C ATOM 854 O ASP A 57 -2.463 -11.658 -5.318 1.00 0.00 O ATOM 855 CB ASP A 57 -3.356 -14.003 -3.481 1.00 0.00 C ATOM 856 CG ASP A 57 -4.403 -14.986 -2.953 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.544 -15.055 -1.713 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.040 -15.648 -3.802 1.00 0.00 O ATOM 0 H ASP A 57 -5.306 -13.259 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.084 -12.210 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.058 -14.316 -4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.469 -14.066 -2.850 1.00 0.00 H new ATOM 863 N ARG A 58 -1.926 -11.082 -3.198 1.00 0.00 N ATOM 864 CA ARG A 58 -0.798 -10.255 -3.591 1.00 0.00 C ATOM 865 C ARG A 58 -1.151 -9.429 -4.829 1.00 0.00 C ATOM 866 O ARG A 58 -0.314 -9.234 -5.710 1.00 0.00 O ATOM 867 CB ARG A 58 0.434 -11.110 -3.892 1.00 0.00 C ATOM 868 CG ARG A 58 0.549 -12.273 -2.903 1.00 0.00 C ATOM 869 CD ARG A 58 1.979 -12.816 -2.860 1.00 0.00 C ATOM 870 NE ARG A 58 2.122 -13.775 -1.741 1.00 0.00 N ATOM 871 CZ ARG A 58 1.813 -15.076 -1.823 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.341 -15.582 -2.971 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.975 -15.872 -0.757 1.00 0.00 N ATOM 0 H ARG A 58 -2.091 -11.128 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.570 -9.589 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.373 -11.497 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.331 -10.493 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.252 -11.940 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.138 -13.069 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.219 -13.306 -3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.685 -11.995 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 58 2.478 -13.423 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.217 -14.976 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.106 -16.573 -3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.334 -15.487 0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.740 -16.862 -0.820 1.00 0.00 H new ATOM 887 N CYS A 59 -2.392 -8.965 -4.858 1.00 0.00 N ATOM 888 CA CYS A 59 -2.866 -8.164 -5.973 1.00 0.00 C ATOM 889 C CYS A 59 -2.507 -6.702 -5.702 1.00 0.00 C ATOM 890 O CYS A 59 -2.402 -5.902 -6.631 1.00 0.00 O ATOM 891 CB CYS A 59 -4.367 -8.350 -6.206 1.00 0.00 C ATOM 892 SG CYS A 59 -5.440 -7.608 -4.922 1.00 0.00 S ATOM 0 H CYS A 59 -3.084 -9.129 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.379 -8.492 -6.892 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.627 -7.917 -7.172 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.582 -9.417 -6.267 1.00 0.00 H new ATOM 897 N ASN A 60 -2.329 -6.396 -4.425 1.00 0.00 N ATOM 898 CA ASN A 60 -1.984 -5.044 -4.020 1.00 0.00 C ATOM 899 C ASN A 60 -0.465 -4.933 -3.870 1.00 0.00 C ATOM 900 O ASN A 60 0.027 -4.418 -2.867 1.00 0.00 O ATOM 901 CB ASN A 60 -2.619 -4.694 -2.673 1.00 0.00 C ATOM 902 CG ASN A 60 -2.007 -5.527 -1.545 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.693 -6.695 -1.701 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.856 -4.862 -0.403 1.00 0.00 N ATOM 0 H ASN A 60 -2.417 -7.062 -3.657 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.354 -4.359 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.477 -3.634 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.694 -4.869 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.456 -5.330 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.140 -3.884 -0.341 1.00 0.00 H new ATOM 911 N ASN A 61 0.235 -5.425 -4.881 1.00 0.00 N ATOM 912 CA ASN A 61 1.688 -5.387 -4.874 1.00 0.00 C ATOM 913 C ASN A 61 2.161 -4.020 -5.371 1.00 0.00 C ATOM 914 O ASN A 61 3.197 -3.554 -4.850 1.00 0.00 O ATOM 915 CB ASN A 61 2.271 -6.456 -5.801 1.00 0.00 C ATOM 916 CG ASN A 61 2.372 -5.939 -7.237 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.251 -5.167 -7.586 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.428 -6.406 -8.048 1.00 0.00 N ATOM 919 OXT ASN A 61 1.476 -3.472 -6.262 1.00 0.00 O ATOM 0 H ASN A 61 -0.177 -5.852 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 61 2.025 -5.571 -3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.259 -6.751 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.644 -7.347 -5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.410 -6.121 -9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.722 -7.050 -7.691 1.00 0.00 H new TER 926 ASN A 61