USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 73 LYS NZ :NH3+ 169:sc= -0.0833 (180deg=-0.272) USER MOD Set 1.2: A 101 33B O72 : rot 180:sc= 0 USER MOD Set 2.1: A 14 LYS NZ :NH3+ -156:sc= 2.09 (180deg=0.546) USER MOD Set 2.2: A 82 THR OG1 : rot -57:sc= 1.85 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.228 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.037) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-0.87) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 49 SER OG : rot 72:sc= 0.161 USER MOD Single : A 54 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.363 K(o=-0.36,f=-1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 72 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.05) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 51:sc= 1.3 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0285 F(o=-0.6,f=-0.028) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.143 F(o=-1.8!,f=-0.14) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= 0.786 (180deg=0.728) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0.0137 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.902 -1.331 -12.720 1.00 54.21 N ATOM 2 CA GLY A 1 -14.647 -0.909 -12.096 1.00 4.40 C ATOM 3 C GLY A 1 -13.696 -2.040 -12.176 1.00 72.55 C ATOM 4 O GLY A 1 -13.981 -3.064 -12.806 1.00 22.31 O ATOM 0 H1 GLY A 1 -16.206 -0.613 -13.409 1.00 54.21 H new ATOM 0 H2 GLY A 1 -15.760 -2.239 -13.206 1.00 54.21 H new ATOM 0 H3 GLY A 1 -16.634 -1.441 -11.989 1.00 54.21 H new ATOM 0 HA2 GLY A 1 -14.243 -0.034 -12.605 1.00 4.40 H new ATOM 0 HA3 GLY A 1 -14.814 -0.624 -11.057 1.00 4.40 H new ATOM 10 N PRO A 2 -12.538 -1.877 -11.534 1.00 14.30 N ATOM 11 CA PRO A 2 -11.523 -2.910 -11.483 1.00 40.11 C ATOM 12 C PRO A 2 -12.072 -4.073 -10.701 1.00 61.24 C ATOM 13 O PRO A 2 -12.725 -3.856 -9.668 1.00 41.15 O ATOM 14 CB PRO A 2 -10.334 -2.249 -10.767 1.00 32.00 C ATOM 15 CG PRO A 2 -10.961 -1.095 -9.958 1.00 2.00 C ATOM 16 CD PRO A 2 -12.152 -0.663 -10.814 1.00 71.10 C ATOM 0 HA PRO A 2 -11.223 -3.290 -12.459 1.00 40.11 H new ATOM 0 HB2 PRO A 2 -9.820 -2.956 -10.116 1.00 32.00 H new ATOM 0 HB3 PRO A 2 -9.597 -1.879 -11.480 1.00 32.00 H new ATOM 0 HG2 PRO A 2 -11.277 -1.424 -8.968 1.00 2.00 H new ATOM 0 HG3 PRO A 2 -10.255 -0.278 -9.812 1.00 2.00 H new ATOM 0 HD2 PRO A 2 -12.970 -0.289 -10.198 1.00 71.10 H new ATOM 0 HD3 PRO A 2 -11.878 0.137 -11.501 1.00 71.10 H new ATOM 24 N LYS A 3 -11.835 -5.295 -11.185 1.00 63.44 N ATOM 25 CA LYS A 3 -12.326 -6.478 -10.520 1.00 64.50 C ATOM 26 C LYS A 3 -11.276 -6.825 -9.478 1.00 43.30 C ATOM 27 O LYS A 3 -10.147 -6.345 -9.542 1.00 0.32 O ATOM 28 CB LYS A 3 -12.501 -7.673 -11.502 1.00 33.21 C ATOM 29 CG LYS A 3 -13.574 -7.416 -12.583 1.00 73.31 C ATOM 30 CD LYS A 3 -13.908 -8.652 -13.444 1.00 64.42 C ATOM 31 CE LYS A 3 -12.714 -9.179 -14.264 1.00 64.40 C ATOM 32 NZ LYS A 3 -13.105 -10.332 -15.097 1.00 15.11 N ATOM 0 H LYS A 3 -11.304 -5.478 -12.037 1.00 63.44 H new ATOM 0 HA LYS A 3 -13.308 -6.290 -10.086 1.00 64.50 H new ATOM 0 HB2 LYS A 3 -11.547 -7.880 -11.987 1.00 33.21 H new ATOM 0 HB3 LYS A 3 -12.770 -8.565 -10.936 1.00 33.21 H new ATOM 0 HG2 LYS A 3 -14.486 -7.066 -12.099 1.00 73.31 H new ATOM 0 HG3 LYS A 3 -13.232 -6.613 -13.236 1.00 73.31 H new ATOM 0 HD2 LYS A 3 -14.271 -9.449 -12.794 1.00 64.42 H new ATOM 0 HD3 LYS A 3 -14.721 -8.400 -14.124 1.00 64.42 H new ATOM 0 HE2 LYS A 3 -12.327 -8.383 -14.900 1.00 64.40 H new ATOM 0 HE3 LYS A 3 -11.908 -9.470 -13.591 1.00 64.40 H new ATOM 0 HZ1 LYS A 3 -12.281 -10.665 -15.637 1.00 15.11 H new ATOM 0 HZ2 LYS A 3 -13.452 -11.099 -14.487 1.00 15.11 H new ATOM 0 HZ3 LYS A 3 -13.858 -10.046 -15.755 1.00 15.11 H new ATOM 46 N PRO A 4 -11.645 -7.633 -8.466 1.00 5.54 N ATOM 47 CA PRO A 4 -10.710 -8.046 -7.435 1.00 10.03 C ATOM 48 C PRO A 4 -9.591 -8.851 -8.064 1.00 33.35 C ATOM 49 O PRO A 4 -9.852 -9.663 -8.952 1.00 35.54 O ATOM 50 CB PRO A 4 -11.547 -8.884 -6.448 1.00 33.14 C ATOM 51 CG PRO A 4 -12.787 -9.314 -7.254 1.00 23.02 C ATOM 52 CD PRO A 4 -12.994 -8.160 -8.240 1.00 75.13 C ATOM 0 HA PRO A 4 -10.236 -7.210 -6.922 1.00 10.03 H new ATOM 0 HB2 PRO A 4 -10.988 -9.749 -6.090 1.00 33.14 H new ATOM 0 HB3 PRO A 4 -11.827 -8.300 -5.571 1.00 33.14 H new ATOM 0 HG2 PRO A 4 -12.621 -10.259 -7.772 1.00 23.02 H new ATOM 0 HG3 PRO A 4 -13.656 -9.452 -6.610 1.00 23.02 H new ATOM 0 HD2 PRO A 4 -13.447 -8.506 -9.169 1.00 75.13 H new ATOM 0 HD3 PRO A 4 -13.655 -7.398 -7.828 1.00 75.13 H new ATOM 60 N GLY A 5 -8.351 -8.605 -7.626 1.00 25.44 N ATOM 61 CA GLY A 5 -7.210 -9.337 -8.150 1.00 2.43 C ATOM 62 C GLY A 5 -6.739 -8.672 -9.414 1.00 51.24 C ATOM 63 O GLY A 5 -5.958 -9.246 -10.168 1.00 55.30 O ATOM 0 H GLY A 5 -8.121 -7.910 -6.916 1.00 25.44 H new ATOM 0 HA2 GLY A 5 -6.406 -9.358 -7.414 1.00 2.43 H new ATOM 0 HA3 GLY A 5 -7.487 -10.372 -8.350 1.00 2.43 H new ATOM 67 N ASP A 6 -7.218 -7.448 -9.688 1.00 20.35 N ATOM 68 CA ASP A 6 -6.761 -6.727 -10.874 1.00 61.22 C ATOM 69 C ASP A 6 -5.703 -5.799 -10.373 1.00 53.23 C ATOM 70 O ASP A 6 -5.785 -5.318 -9.243 1.00 15.11 O ATOM 71 CB ASP A 6 -7.855 -5.887 -11.598 1.00 34.42 C ATOM 72 CG ASP A 6 -7.340 -5.413 -12.966 1.00 2.21 C ATOM 73 OD1 ASP A 6 -6.309 -5.943 -13.468 1.00 32.41 O ATOM 74 OD2 ASP A 6 -7.974 -4.517 -13.559 1.00 33.00 O ATOM 0 H ASP A 6 -7.903 -6.952 -9.118 1.00 20.35 H new ATOM 0 HA ASP A 6 -6.427 -7.452 -11.616 1.00 61.22 H new ATOM 0 HB2 ASP A 6 -8.757 -6.485 -11.728 1.00 34.42 H new ATOM 0 HB3 ASP A 6 -8.128 -5.027 -10.986 1.00 34.42 H new ATOM 79 N ILE A 7 -4.674 -5.552 -11.180 1.00 20.12 N ATOM 80 CA ILE A 7 -3.573 -4.724 -10.763 1.00 64.15 C ATOM 81 C ILE A 7 -3.973 -3.341 -11.162 1.00 44.21 C ATOM 82 O ILE A 7 -4.400 -3.115 -12.300 1.00 74.33 O ATOM 83 CB ILE A 7 -2.219 -5.106 -11.419 1.00 54.04 C ATOM 84 CG1 ILE A 7 -1.606 -6.376 -10.766 1.00 32.40 C ATOM 85 CG2 ILE A 7 -1.235 -3.914 -11.343 1.00 60.23 C ATOM 86 CD1 ILE A 7 -2.430 -7.637 -10.944 1.00 31.15 C ATOM 0 H ILE A 7 -4.591 -5.920 -12.128 1.00 20.12 H new ATOM 0 HA ILE A 7 -3.398 -4.838 -9.693 1.00 64.15 H new ATOM 0 HB ILE A 7 -2.405 -5.340 -12.467 1.00 54.04 H new ATOM 0 HG12 ILE A 7 -0.615 -6.543 -11.187 1.00 32.40 H new ATOM 0 HG13 ILE A 7 -1.473 -6.192 -9.700 1.00 32.40 H new ATOM 0 HG21 ILE A 7 -0.289 -4.193 -11.806 1.00 60.23 H new ATOM 0 HG22 ILE A 7 -1.658 -3.059 -11.870 1.00 60.23 H new ATOM 0 HG23 ILE A 7 -1.064 -3.649 -10.300 1.00 60.23 H new ATOM 0 HD11 ILE A 7 -1.927 -8.472 -10.457 1.00 31.15 H new ATOM 0 HD12 ILE A 7 -3.414 -7.495 -10.496 1.00 31.15 H new ATOM 0 HD13 ILE A 7 -2.542 -7.851 -12.007 1.00 31.15 H new ATOM 98 N PHE A 8 -3.893 -2.396 -10.224 1.00 52.24 N ATOM 99 CA PHE A 8 -4.269 -1.046 -10.503 1.00 52.12 C ATOM 100 C PHE A 8 -3.134 -0.199 -10.044 1.00 4.53 C ATOM 101 O PHE A 8 -2.485 -0.495 -9.040 1.00 43.55 O ATOM 102 CB PHE A 8 -5.624 -0.564 -9.856 1.00 11.53 C ATOM 103 CG PHE A 8 -5.607 -0.604 -8.329 1.00 34.13 C ATOM 104 CD1 PHE A 8 -5.416 -1.819 -7.603 1.00 30.11 C ATOM 105 CD2 PHE A 8 -5.850 0.586 -7.598 1.00 41.41 C ATOM 106 CE1 PHE A 8 -5.445 -1.806 -6.187 1.00 63.15 C ATOM 107 CE2 PHE A 8 -5.879 0.578 -6.193 1.00 34.42 C ATOM 108 CZ PHE A 8 -5.666 -0.608 -5.492 1.00 41.33 C ATOM 0 H PHE A 8 -3.569 -2.560 -9.271 1.00 52.24 H new ATOM 0 HA PHE A 8 -4.464 -0.964 -11.572 1.00 52.12 H new ATOM 0 HB2 PHE A 8 -5.835 0.454 -10.184 1.00 11.53 H new ATOM 0 HB3 PHE A 8 -6.437 -1.191 -10.221 1.00 11.53 H new ATOM 0 HD1 PHE A 8 -5.250 -2.746 -8.132 1.00 30.11 H new ATOM 0 HD2 PHE A 8 -6.015 1.512 -8.128 1.00 41.41 H new ATOM 0 HE1 PHE A 8 -5.296 -2.725 -5.639 1.00 63.15 H new ATOM 0 HE2 PHE A 8 -6.067 1.495 -5.654 1.00 34.42 H new ATOM 0 HZ PHE A 8 -5.671 -0.604 -4.412 1.00 41.33 H new ATOM 118 N GLU A 9 -2.823 0.849 -10.808 1.00 54.53 N ATOM 119 CA GLU A 9 -1.692 1.666 -10.496 1.00 53.35 C ATOM 120 C GLU A 9 -2.237 2.891 -9.865 1.00 3.14 C ATOM 121 O GLU A 9 -3.237 3.452 -10.346 1.00 73.11 O ATOM 122 CB GLU A 9 -0.905 2.101 -11.743 1.00 61.41 C ATOM 123 CG GLU A 9 -0.602 0.924 -12.673 1.00 62.05 C ATOM 124 CD GLU A 9 0.358 1.390 -13.718 1.00 24.42 C ATOM 125 OE1 GLU A 9 1.481 1.792 -13.348 1.00 45.54 O ATOM 126 OE2 GLU A 9 0.004 1.358 -14.908 1.00 73.51 O ATOM 0 H GLU A 9 -3.345 1.135 -11.636 1.00 54.53 H new ATOM 0 HA GLU A 9 -1.011 1.100 -9.861 1.00 53.35 H new ATOM 0 HB2 GLU A 9 -1.475 2.854 -12.287 1.00 61.41 H new ATOM 0 HB3 GLU A 9 0.030 2.570 -11.436 1.00 61.41 H new ATOM 0 HG2 GLU A 9 -0.177 0.094 -12.109 1.00 62.05 H new ATOM 0 HG3 GLU A 9 -1.519 0.559 -13.135 1.00 62.05 H new ATOM 133 N VAL A 10 -1.633 3.314 -8.761 1.00 20.23 N ATOM 134 CA VAL A 10 -2.076 4.485 -8.081 1.00 54.32 C ATOM 135 C VAL A 10 -0.867 5.292 -7.862 1.00 25.13 C ATOM 136 O VAL A 10 0.136 4.789 -7.378 1.00 44.31 O ATOM 137 CB VAL A 10 -2.689 4.171 -6.711 1.00 14.13 C ATOM 138 CG1 VAL A 10 -3.145 5.476 -6.022 1.00 60.20 C ATOM 139 CG2 VAL A 10 -3.839 3.170 -6.915 1.00 74.51 C ATOM 0 H VAL A 10 -0.834 2.849 -8.331 1.00 20.23 H new ATOM 0 HA VAL A 10 -2.843 4.985 -8.672 1.00 54.32 H new ATOM 0 HB VAL A 10 -1.954 3.715 -6.048 1.00 14.13 H new ATOM 0 HG11 VAL A 10 -3.579 5.242 -5.050 1.00 60.20 H new ATOM 0 HG12 VAL A 10 -2.287 6.135 -5.887 1.00 60.20 H new ATOM 0 HG13 VAL A 10 -3.891 5.973 -6.642 1.00 60.20 H new ATOM 0 HG21 VAL A 10 -4.290 2.932 -5.951 1.00 74.51 H new ATOM 0 HG22 VAL A 10 -4.592 3.609 -7.570 1.00 74.51 H new ATOM 0 HG23 VAL A 10 -3.451 2.258 -7.369 1.00 74.51 H new ATOM 149 N GLU A 11 -0.923 6.568 -8.209 1.00 24.04 N ATOM 150 CA GLU A 11 0.122 7.442 -7.826 1.00 23.20 C ATOM 151 C GLU A 11 -0.456 8.264 -6.742 1.00 41.34 C ATOM 152 O GLU A 11 -1.571 8.789 -6.871 1.00 22.22 O ATOM 153 CB GLU A 11 0.681 8.303 -8.952 1.00 53.14 C ATOM 154 CG GLU A 11 -0.348 9.072 -9.776 1.00 72.24 C ATOM 155 CD GLU A 11 0.404 9.697 -10.915 1.00 22.31 C ATOM 156 OE1 GLU A 11 1.041 8.938 -11.686 1.00 0.41 O ATOM 157 OE2 GLU A 11 0.388 10.945 -11.029 1.00 2.23 O ATOM 0 H GLU A 11 -1.677 6.996 -8.747 1.00 24.04 H new ATOM 0 HA GLU A 11 0.993 6.867 -7.511 1.00 23.20 H new ATOM 0 HB2 GLU A 11 1.382 9.018 -8.523 1.00 53.14 H new ATOM 0 HB3 GLU A 11 1.251 7.662 -9.625 1.00 53.14 H new ATOM 0 HG2 GLU A 11 -1.127 8.405 -10.145 1.00 72.24 H new ATOM 0 HG3 GLU A 11 -0.840 9.834 -9.171 1.00 72.24 H new ATOM 164 N LEU A 12 0.225 8.285 -5.604 1.00 62.53 N ATOM 165 CA LEU A 12 -0.332 8.815 -4.411 1.00 62.22 C ATOM 166 C LEU A 12 0.382 10.080 -4.139 1.00 61.11 C ATOM 167 O LEU A 12 1.619 10.089 -4.042 1.00 32.42 O ATOM 168 CB LEU A 12 -0.105 7.858 -3.211 1.00 12.40 C ATOM 169 CG LEU A 12 -1.254 7.829 -2.197 1.00 62.41 C ATOM 170 CD1 LEU A 12 -1.405 9.129 -1.411 1.00 1.13 C ATOM 171 CD2 LEU A 12 -2.572 7.369 -2.840 1.00 25.04 C ATOM 0 H LEU A 12 1.176 7.931 -5.503 1.00 62.53 H new ATOM 0 HA LEU A 12 -1.406 8.956 -4.534 1.00 62.22 H new ATOM 0 HB2 LEU A 12 0.053 6.849 -3.592 1.00 12.40 H new ATOM 0 HB3 LEU A 12 0.810 8.151 -2.696 1.00 12.40 H new ATOM 0 HG LEU A 12 -0.982 7.079 -1.455 1.00 62.41 H new ATOM 0 HD11 LEU A 12 -2.237 9.037 -0.712 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -0.487 9.329 -0.858 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -1.599 9.951 -2.100 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -3.361 7.362 -2.088 1.00 25.04 H new ATOM 0 HD22 LEU A 12 -2.843 8.053 -3.644 1.00 25.04 H new ATOM 0 HD23 LEU A 12 -2.448 6.365 -3.245 1.00 25.04 H new ATOM 183 N ALA A 13 -0.364 11.186 -4.038 1.00 2.31 N ATOM 184 CA ALA A 13 0.235 12.449 -3.772 1.00 45.32 C ATOM 185 C ALA A 13 0.148 12.685 -2.304 1.00 62.12 C ATOM 186 O ALA A 13 -0.881 12.455 -1.675 1.00 20.33 O ATOM 187 CB ALA A 13 -0.457 13.634 -4.475 1.00 1.11 C ATOM 0 H ALA A 13 -1.379 11.207 -4.140 1.00 2.31 H new ATOM 0 HA ALA A 13 1.257 12.406 -4.149 1.00 45.32 H new ATOM 0 HB1 ALA A 13 0.060 14.560 -4.221 1.00 1.11 H new ATOM 0 HB2 ALA A 13 -0.426 13.485 -5.554 1.00 1.11 H new ATOM 0 HB3 ALA A 13 -1.495 13.696 -4.147 1.00 1.11 H new ATOM 193 N LYS A 14 1.239 13.183 -1.752 1.00 72.14 N ATOM 194 CA LYS A 14 1.337 13.606 -0.372 1.00 61.01 C ATOM 195 C LYS A 14 0.956 15.061 -0.339 1.00 11.23 C ATOM 196 O LYS A 14 1.565 15.855 0.376 1.00 25.35 O ATOM 197 CB LYS A 14 2.758 13.466 0.233 1.00 63.32 C ATOM 198 CG LYS A 14 3.111 12.055 0.730 1.00 71.13 C ATOM 199 CD LYS A 14 2.961 10.924 -0.293 1.00 71.34 C ATOM 200 CE LYS A 14 3.594 9.592 0.167 1.00 22.54 C ATOM 201 NZ LYS A 14 5.063 9.749 0.378 1.00 23.20 N ATOM 0 H LYS A 14 2.108 13.307 -2.271 1.00 72.14 H new ATOM 0 HA LYS A 14 0.685 12.966 0.222 1.00 61.01 H new ATOM 0 HB2 LYS A 14 3.489 13.764 -0.519 1.00 63.32 H new ATOM 0 HB3 LYS A 14 2.854 14.164 1.065 1.00 63.32 H new ATOM 0 HG2 LYS A 14 4.142 12.064 1.084 1.00 71.13 H new ATOM 0 HG3 LYS A 14 2.481 11.826 1.590 1.00 71.13 H new ATOM 0 HD2 LYS A 14 1.902 10.764 -0.494 1.00 71.34 H new ATOM 0 HD3 LYS A 14 3.421 11.231 -1.233 1.00 71.34 H new ATOM 0 HE2 LYS A 14 3.122 9.260 1.092 1.00 22.54 H new ATOM 0 HE3 LYS A 14 3.410 8.819 -0.580 1.00 22.54 H new ATOM 0 HZ1 LYS A 14 5.528 8.824 0.284 1.00 23.20 H new ATOM 0 HZ2 LYS A 14 5.448 10.404 -0.333 1.00 23.20 H new ATOM 0 HZ3 LYS A 14 5.238 10.129 1.330 1.00 23.20 H new ATOM 215 N ASN A 15 -0.011 15.475 -1.202 1.00 74.33 N ATOM 216 CA ASN A 15 -0.444 16.867 -1.229 1.00 65.50 C ATOM 217 C ASN A 15 -0.988 17.185 0.146 1.00 22.13 C ATOM 218 O ASN A 15 -0.633 18.205 0.735 1.00 24.52 O ATOM 219 CB ASN A 15 -1.552 17.159 -2.281 1.00 51.33 C ATOM 220 CG ASN A 15 -1.865 18.667 -2.284 1.00 63.35 C ATOM 221 OD1 ASN A 15 -3.008 19.078 -2.029 1.00 32.33 O ATOM 222 ND2 ASN A 15 -0.857 19.505 -2.590 1.00 1.14 N ATOM 0 H ASN A 15 -0.487 14.866 -1.868 1.00 74.33 H new ATOM 0 HA ASN A 15 0.412 17.482 -1.507 1.00 65.50 H new ATOM 0 HB2 ASN A 15 -1.223 16.842 -3.271 1.00 51.33 H new ATOM 0 HB3 ASN A 15 -2.451 16.589 -2.047 1.00 51.33 H new ATOM 0 HD21 ASN A 15 -1.021 20.511 -2.617 1.00 1.14 H new ATOM 0 HD22 ASN A 15 0.071 19.134 -2.794 1.00 1.14 H new ATOM 229 N ASP A 16 -1.813 16.262 0.711 1.00 24.02 N ATOM 230 CA ASP A 16 -2.197 16.381 2.113 1.00 43.43 C ATOM 231 C ASP A 16 -1.046 15.797 2.886 1.00 64.53 C ATOM 232 O ASP A 16 -0.359 14.906 2.396 1.00 24.32 O ATOM 233 CB ASP A 16 -3.494 15.622 2.497 1.00 13.30 C ATOM 234 CG ASP A 16 -4.023 16.192 3.808 1.00 22.03 C ATOM 235 OD1 ASP A 16 -3.475 15.866 4.892 1.00 32.23 O ATOM 236 OD2 ASP A 16 -4.991 16.992 3.749 1.00 52.54 O ATOM 0 H ASP A 16 -2.206 15.458 0.222 1.00 24.02 H new ATOM 0 HA ASP A 16 -2.407 17.428 2.331 1.00 43.43 H new ATOM 0 HB2 ASP A 16 -4.241 15.728 1.710 1.00 13.30 H new ATOM 0 HB3 ASP A 16 -3.291 14.556 2.603 1.00 13.30 H new ATOM 241 N ASN A 17 -0.764 16.340 4.071 1.00 33.10 N ATOM 242 CA ASN A 17 0.484 16.033 4.753 1.00 43.23 C ATOM 243 C ASN A 17 0.409 14.659 5.368 1.00 65.44 C ATOM 244 O ASN A 17 1.420 13.948 5.432 1.00 34.14 O ATOM 245 CB ASN A 17 0.833 17.048 5.878 1.00 12.32 C ATOM 246 CG ASN A 17 2.258 16.763 6.358 1.00 12.14 C ATOM 247 OD1 ASN A 17 3.204 16.774 5.564 1.00 54.20 O ATOM 248 ND2 ASN A 17 2.436 16.505 7.653 1.00 54.42 N ATOM 0 H ASN A 17 -1.377 16.986 4.569 1.00 33.10 H new ATOM 0 HA ASN A 17 1.265 16.088 3.995 1.00 43.23 H new ATOM 0 HB2 ASN A 17 0.755 18.069 5.505 1.00 12.32 H new ATOM 0 HB3 ASN A 17 0.128 16.956 6.705 1.00 12.32 H new ATOM 0 HD21 ASN A 17 3.371 16.310 8.010 1.00 54.42 H new ATOM 0 HD22 ASN A 17 1.637 16.502 8.287 1.00 54.42 H new ATOM 255 N SER A 18 -0.776 14.260 5.871 1.00 61.05 N ATOM 256 CA SER A 18 -0.872 12.997 6.578 1.00 55.45 C ATOM 257 C SER A 18 -0.765 11.889 5.574 1.00 31.15 C ATOM 258 O SER A 18 -1.571 11.793 4.664 1.00 25.24 O ATOM 259 CB SER A 18 -2.204 12.798 7.328 1.00 61.32 C ATOM 260 OG SER A 18 -2.399 13.817 8.305 1.00 71.30 O ATOM 0 H SER A 18 -1.647 14.785 5.798 1.00 61.05 H new ATOM 0 HA SER A 18 -0.071 12.994 7.317 1.00 55.45 H new ATOM 0 HB2 SER A 18 -3.030 12.808 6.617 1.00 61.32 H new ATOM 0 HB3 SER A 18 -2.211 11.821 7.811 1.00 61.32 H new ATOM 0 HG SER A 18 -3.251 13.670 8.766 1.00 71.30 H new ATOM 266 N LEU A 19 0.247 11.003 5.735 1.00 75.44 N ATOM 267 CA LEU A 19 0.343 9.834 4.887 1.00 50.00 C ATOM 268 C LEU A 19 -0.754 8.928 5.354 1.00 33.53 C ATOM 269 O LEU A 19 -1.686 8.604 4.627 1.00 71.33 O ATOM 270 CB LEU A 19 1.696 9.065 5.053 1.00 73.23 C ATOM 271 CG LEU A 19 2.946 9.980 5.123 1.00 2.22 C ATOM 272 CD1 LEU A 19 4.234 9.188 5.387 1.00 53.52 C ATOM 273 CD2 LEU A 19 3.079 10.918 3.925 1.00 63.44 C ATOM 0 H LEU A 19 0.985 11.089 6.434 1.00 75.44 H new ATOM 0 HA LEU A 19 0.275 10.135 3.842 1.00 50.00 H new ATOM 0 HB2 LEU A 19 1.649 8.463 5.961 1.00 73.23 H new ATOM 0 HB3 LEU A 19 1.812 8.374 4.218 1.00 73.23 H new ATOM 0 HG LEU A 19 2.788 10.626 5.987 1.00 2.22 H new ATOM 0 HD11 LEU A 19 5.081 9.873 5.427 1.00 53.52 H new ATOM 0 HD12 LEU A 19 4.149 8.661 6.337 1.00 53.52 H new ATOM 0 HD13 LEU A 19 4.389 8.467 4.584 1.00 53.52 H new ATOM 0 HD21 LEU A 19 3.974 11.529 4.039 1.00 63.44 H new ATOM 0 HD22 LEU A 19 3.154 10.331 3.010 1.00 63.44 H new ATOM 0 HD23 LEU A 19 2.203 11.565 3.870 1.00 63.44 H new ATOM 285 N GLY A 20 -0.666 8.610 6.661 1.00 22.23 N ATOM 286 CA GLY A 20 -1.674 7.877 7.390 1.00 62.03 C ATOM 287 C GLY A 20 -2.006 6.587 6.718 1.00 72.33 C ATOM 288 O GLY A 20 -3.181 6.259 6.558 1.00 43.21 O ATOM 0 H GLY A 20 0.135 8.870 7.237 1.00 22.23 H new ATOM 0 HA2 GLY A 20 -1.321 7.681 8.403 1.00 62.03 H new ATOM 0 HA3 GLY A 20 -2.575 8.485 7.478 1.00 62.03 H new ATOM 292 N ILE A 21 -0.990 5.818 6.332 1.00 54.21 N ATOM 293 CA ILE A 21 -1.216 4.507 5.806 1.00 65.44 C ATOM 294 C ILE A 21 -0.400 3.641 6.713 1.00 43.50 C ATOM 295 O ILE A 21 0.568 4.127 7.305 1.00 43.42 O ATOM 296 CB ILE A 21 -0.704 4.339 4.360 1.00 21.54 C ATOM 297 CG1 ILE A 21 -1.101 5.563 3.494 1.00 42.31 C ATOM 298 CG2 ILE A 21 -1.236 2.998 3.776 1.00 53.20 C ATOM 299 CD1 ILE A 21 -0.637 5.466 2.034 1.00 12.14 C ATOM 0 H ILE A 21 -0.009 6.095 6.380 1.00 54.21 H new ATOM 0 HA ILE A 21 -2.280 4.272 5.768 1.00 65.44 H new ATOM 0 HB ILE A 21 0.385 4.296 4.356 1.00 21.54 H new ATOM 0 HG12 ILE A 21 -2.185 5.674 3.514 1.00 42.31 H new ATOM 0 HG13 ILE A 21 -0.680 6.464 3.940 1.00 42.31 H new ATOM 0 HG21 ILE A 21 -0.875 2.878 2.754 1.00 53.20 H new ATOM 0 HG22 ILE A 21 -0.880 2.168 4.387 1.00 53.20 H new ATOM 0 HG23 ILE A 21 -2.326 3.008 3.777 1.00 53.20 H new ATOM 0 HD11 ILE A 21 -0.952 6.358 1.492 1.00 12.14 H new ATOM 0 HD12 ILE A 21 0.450 5.386 2.002 1.00 12.14 H new ATOM 0 HD13 ILE A 21 -1.079 4.585 1.570 1.00 12.14 H new ATOM 311 N CYS A 22 -0.743 2.354 6.826 1.00 34.21 N ATOM 312 CA CYS A 22 0.130 1.428 7.516 1.00 2.33 C ATOM 313 C CYS A 22 -0.063 0.176 6.755 1.00 42.13 C ATOM 314 O CYS A 22 -0.988 0.084 5.936 1.00 62.41 O ATOM 315 CB CYS A 22 -0.311 1.117 8.992 1.00 64.34 C ATOM 316 SG CYS A 22 -0.588 2.612 10.015 1.00 71.41 S ATOM 0 H CYS A 22 -1.601 1.946 6.455 1.00 34.21 H new ATOM 0 HA CYS A 22 1.141 1.832 7.568 1.00 2.33 H new ATOM 0 HB2 CYS A 22 -1.228 0.529 8.970 1.00 64.34 H new ATOM 0 HB3 CYS A 22 0.452 0.500 9.467 1.00 64.34 H new ATOM 321 N VAL A 23 0.871 -0.769 6.876 1.00 22.32 N ATOM 322 CA VAL A 23 0.892 -1.880 5.989 1.00 44.40 C ATOM 323 C VAL A 23 1.368 -3.037 6.801 1.00 64.02 C ATOM 324 O VAL A 23 1.898 -2.864 7.907 1.00 74.15 O ATOM 325 CB VAL A 23 1.863 -1.672 4.809 1.00 22.43 C ATOM 326 CG1 VAL A 23 1.135 -0.874 3.704 1.00 73.10 C ATOM 327 CG2 VAL A 23 3.131 -0.953 5.322 1.00 31.24 C ATOM 0 H VAL A 23 1.608 -0.767 7.581 1.00 22.32 H new ATOM 0 HA VAL A 23 -0.099 -2.029 5.561 1.00 44.40 H new ATOM 0 HB VAL A 23 2.178 -2.623 4.380 1.00 22.43 H new ATOM 0 HG11 VAL A 23 1.810 -0.719 2.862 1.00 73.10 H new ATOM 0 HG12 VAL A 23 0.260 -1.431 3.370 1.00 73.10 H new ATOM 0 HG13 VAL A 23 0.821 0.092 4.100 1.00 73.10 H new ATOM 0 HG21 VAL A 23 3.824 -0.802 4.494 1.00 31.24 H new ATOM 0 HG22 VAL A 23 2.855 0.013 5.746 1.00 31.24 H new ATOM 0 HG23 VAL A 23 3.610 -1.562 6.089 1.00 31.24 H new ATOM 337 N THR A 24 1.179 -4.229 6.269 1.00 4.13 N ATOM 338 CA THR A 24 1.627 -5.423 6.897 1.00 75.31 C ATOM 339 C THR A 24 2.037 -6.280 5.740 1.00 52.24 C ATOM 340 O THR A 24 1.729 -5.952 4.618 1.00 42.13 O ATOM 341 CB THR A 24 0.553 -6.120 7.764 1.00 10.11 C ATOM 342 OG1 THR A 24 1.093 -7.263 8.456 1.00 2.53 O ATOM 343 CG2 THR A 24 -0.658 -6.533 6.882 1.00 71.05 C ATOM 0 H THR A 24 0.704 -4.380 5.379 1.00 4.13 H new ATOM 0 HA THR A 24 2.428 -5.224 7.609 1.00 75.31 H new ATOM 0 HB THR A 24 0.215 -5.411 8.520 1.00 10.11 H new ATOM 0 HG1 THR A 24 0.390 -7.680 8.996 1.00 2.53 H new ATOM 0 HG21 THR A 24 -1.409 -7.023 7.502 1.00 71.05 H new ATOM 0 HG22 THR A 24 -1.091 -5.646 6.420 1.00 71.05 H new ATOM 0 HG23 THR A 24 -0.324 -7.220 6.105 1.00 71.05 H new ATOM 351 N GLY A 25 2.764 -7.363 5.994 1.00 72.20 N ATOM 352 CA GLY A 25 3.208 -8.232 4.919 1.00 15.34 C ATOM 353 C GLY A 25 4.651 -8.454 5.091 1.00 63.34 C ATOM 354 O GLY A 25 5.252 -7.958 6.040 1.00 64.42 O ATOM 0 H GLY A 25 3.054 -7.655 6.927 1.00 72.20 H new ATOM 0 HA2 GLY A 25 2.669 -9.179 4.946 1.00 15.34 H new ATOM 0 HA3 GLY A 25 3.004 -7.777 3.950 1.00 15.34 H new ATOM 358 N GLY A 26 5.259 -9.216 4.164 1.00 1.12 N ATOM 359 CA GLY A 26 6.681 -9.352 4.160 1.00 43.03 C ATOM 360 C GLY A 26 7.033 -10.794 4.102 1.00 70.23 C ATOM 361 O GLY A 26 6.497 -11.544 3.293 1.00 32.32 O ATOM 0 H GLY A 26 4.774 -9.730 3.428 1.00 1.12 H new ATOM 0 HA2 GLY A 26 7.106 -8.827 3.305 1.00 43.03 H new ATOM 0 HA3 GLY A 26 7.104 -8.898 5.056 1.00 43.03 H new ATOM 365 N VAL A 27 7.979 -11.193 4.976 1.00 44.24 N ATOM 366 CA VAL A 27 8.685 -12.477 4.982 1.00 51.10 C ATOM 367 C VAL A 27 7.789 -13.671 5.359 1.00 74.54 C ATOM 368 O VAL A 27 8.306 -14.697 5.797 1.00 0.13 O ATOM 369 CB VAL A 27 9.890 -12.436 5.909 1.00 11.45 C ATOM 370 CG1 VAL A 27 10.886 -11.401 5.341 1.00 13.40 C ATOM 371 CG2 VAL A 27 9.424 -12.084 7.343 1.00 55.41 C ATOM 0 H VAL A 27 8.284 -10.588 5.738 1.00 44.24 H new ATOM 0 HA VAL A 27 9.013 -12.631 3.954 1.00 51.10 H new ATOM 0 HB VAL A 27 10.389 -13.404 5.966 1.00 11.45 H new ATOM 0 HG11 VAL A 27 11.763 -11.348 5.986 1.00 13.40 H new ATOM 0 HG12 VAL A 27 11.190 -11.701 4.338 1.00 13.40 H new ATOM 0 HG13 VAL A 27 10.408 -10.422 5.298 1.00 13.40 H new ATOM 0 HG21 VAL A 27 10.286 -12.054 8.009 1.00 55.41 H new ATOM 0 HG22 VAL A 27 8.936 -11.110 7.338 1.00 55.41 H new ATOM 0 HG23 VAL A 27 8.721 -12.840 7.693 1.00 55.41 H new ATOM 381 N ASN A 28 6.450 -13.528 5.249 1.00 43.32 N ATOM 382 CA ASN A 28 5.470 -14.502 5.785 1.00 34.32 C ATOM 383 C ASN A 28 5.190 -14.122 7.195 1.00 52.10 C ATOM 384 O ASN A 28 5.499 -14.829 8.147 1.00 1.33 O ATOM 385 CB ASN A 28 5.798 -16.038 5.686 1.00 21.52 C ATOM 386 CG ASN A 28 4.575 -16.858 6.152 1.00 25.21 C ATOM 387 OD1 ASN A 28 4.665 -17.634 7.109 1.00 23.32 O ATOM 388 ND2 ASN A 28 3.421 -16.687 5.476 1.00 23.23 N ATOM 0 H ASN A 28 6.015 -12.731 4.784 1.00 43.32 H new ATOM 0 HA ASN A 28 4.608 -14.422 5.123 1.00 34.32 H new ATOM 0 HB2 ASN A 28 6.055 -16.300 4.660 1.00 21.52 H new ATOM 0 HB3 ASN A 28 6.665 -16.276 6.303 1.00 21.52 H new ATOM 0 HD21 ASN A 28 2.587 -17.207 5.750 1.00 23.23 H new ATOM 0 HD22 ASN A 28 3.382 -16.038 4.690 1.00 23.23 H new ATOM 395 N THR A 29 4.582 -12.957 7.305 1.00 62.20 N ATOM 396 CA THR A 29 4.038 -12.460 8.532 1.00 3.10 C ATOM 397 C THR A 29 2.601 -12.990 8.551 1.00 20.24 C ATOM 398 O THR A 29 2.292 -13.931 7.814 1.00 54.41 O ATOM 399 CB THR A 29 4.116 -10.935 8.669 1.00 1.51 C ATOM 400 OG1 THR A 29 3.754 -10.488 9.982 1.00 12.24 O ATOM 401 CG2 THR A 29 3.223 -10.271 7.615 1.00 15.32 C ATOM 0 H THR A 29 4.455 -12.321 6.517 1.00 62.20 H new ATOM 0 HA THR A 29 4.615 -12.803 9.391 1.00 3.10 H new ATOM 0 HB THR A 29 5.153 -10.643 8.506 1.00 1.51 H new ATOM 0 HG1 THR A 29 3.819 -9.511 10.025 1.00 12.24 H new ATOM 0 HG21 THR A 29 3.283 -9.188 7.718 1.00 15.32 H new ATOM 0 HG22 THR A 29 3.559 -10.560 6.619 1.00 15.32 H new ATOM 0 HG23 THR A 29 2.191 -10.592 7.758 1.00 15.32 H new ATOM 409 N SER A 30 1.733 -12.453 9.441 1.00 3.33 N ATOM 410 CA SER A 30 0.360 -12.933 9.633 1.00 0.14 C ATOM 411 C SER A 30 -0.385 -13.159 8.308 1.00 31.21 C ATOM 412 O SER A 30 -1.248 -14.033 8.229 1.00 71.10 O ATOM 413 CB SER A 30 -0.484 -11.972 10.486 1.00 71.34 C ATOM 414 OG SER A 30 0.218 -11.638 11.685 1.00 41.13 O ATOM 0 H SER A 30 1.976 -11.669 10.046 1.00 3.33 H new ATOM 0 HA SER A 30 0.476 -13.885 10.151 1.00 0.14 H new ATOM 0 HB2 SER A 30 -0.704 -11.067 9.919 1.00 71.34 H new ATOM 0 HB3 SER A 30 -1.440 -12.434 10.731 1.00 71.34 H new ATOM 0 HG SER A 30 -0.325 -11.024 12.222 1.00 41.13 H new ATOM 420 N VAL A 31 -0.079 -12.380 7.243 1.00 11.22 N ATOM 421 CA VAL A 31 -0.766 -12.567 5.983 1.00 74.43 C ATOM 422 C VAL A 31 -0.054 -13.675 5.213 1.00 1.44 C ATOM 423 O VAL A 31 1.182 -13.711 5.138 1.00 42.32 O ATOM 424 CB VAL A 31 -0.857 -11.309 5.142 1.00 70.44 C ATOM 425 CG1 VAL A 31 -1.836 -10.343 5.848 1.00 5.22 C ATOM 426 CG2 VAL A 31 0.553 -10.702 4.968 1.00 12.43 C ATOM 0 H VAL A 31 0.623 -11.640 7.247 1.00 11.22 H new ATOM 0 HA VAL A 31 -1.798 -12.840 6.204 1.00 74.43 H new ATOM 0 HB VAL A 31 -1.235 -11.518 4.141 1.00 70.44 H new ATOM 0 HG11 VAL A 31 -1.924 -9.425 5.267 1.00 5.22 H new ATOM 0 HG12 VAL A 31 -2.815 -10.815 5.932 1.00 5.22 H new ATOM 0 HG13 VAL A 31 -1.460 -10.107 6.844 1.00 5.22 H new ATOM 0 HG21 VAL A 31 0.488 -9.797 4.363 1.00 12.43 H new ATOM 0 HG22 VAL A 31 0.966 -10.456 5.946 1.00 12.43 H new ATOM 0 HG23 VAL A 31 1.201 -11.424 4.472 1.00 12.43 H new ATOM 436 N ARG A 32 -0.856 -14.631 4.666 1.00 70.54 N ATOM 437 CA ARG A 32 -0.336 -15.844 4.030 1.00 74.41 C ATOM 438 C ARG A 32 0.612 -15.506 2.920 1.00 10.42 C ATOM 439 O ARG A 32 1.741 -15.968 2.906 1.00 72.52 O ATOM 440 CB ARG A 32 -1.434 -16.724 3.399 1.00 55.43 C ATOM 441 CG ARG A 32 -2.468 -17.263 4.391 1.00 23.32 C ATOM 442 CD ARG A 32 -3.473 -18.224 3.724 1.00 34.44 C ATOM 443 NE ARG A 32 -2.678 -19.351 3.089 1.00 21.22 N ATOM 444 CZ ARG A 32 -2.519 -20.580 3.698 1.00 13.51 C ATOM 445 NH1 ARG A 32 -3.194 -20.883 4.847 1.00 13.20 N ATOM 446 NH2 ARG A 32 -1.673 -21.503 3.145 1.00 34.44 N ATOM 0 H ARG A 32 -1.874 -14.570 4.661 1.00 70.54 H new ATOM 0 HA ARG A 32 0.154 -16.389 4.837 1.00 74.41 H new ATOM 0 HB2 ARG A 32 -1.951 -16.144 2.635 1.00 55.43 H new ATOM 0 HB3 ARG A 32 -0.961 -17.566 2.894 1.00 55.43 H new ATOM 0 HG2 ARG A 32 -1.955 -17.782 5.201 1.00 23.32 H new ATOM 0 HG3 ARG A 32 -3.008 -16.429 4.838 1.00 23.32 H new ATOM 0 HD2 ARG A 32 -4.173 -18.617 4.461 1.00 34.44 H new ATOM 0 HD3 ARG A 32 -4.062 -17.700 2.972 1.00 34.44 H new ATOM 0 HE ARG A 32 -2.245 -19.194 2.179 1.00 21.22 H new ATOM 0 HH11 ARG A 32 -3.824 -20.198 5.264 1.00 13.20 H new ATOM 0 HH12 ARG A 32 -3.068 -21.794 5.287 1.00 13.20 H new ATOM 0 HH21 ARG A 32 -1.165 -21.281 2.289 1.00 34.44 H new ATOM 0 HH22 ARG A 32 -1.550 -22.413 3.589 1.00 34.44 H new ATOM 460 N HIS A 33 0.142 -14.720 1.933 1.00 44.51 N ATOM 461 CA HIS A 33 0.888 -14.513 0.681 1.00 15.42 C ATOM 462 C HIS A 33 2.054 -13.584 0.936 1.00 50.43 C ATOM 463 O HIS A 33 2.825 -13.272 0.037 1.00 73.32 O ATOM 464 CB HIS A 33 -0.001 -13.898 -0.445 1.00 63.53 C ATOM 465 CG HIS A 33 0.550 -14.082 -1.848 1.00 21.24 C ATOM 466 ND1 HIS A 33 1.455 -13.225 -2.427 1.00 41.40 N ATOM 467 CD2 HIS A 33 0.306 -15.060 -2.748 1.00 64.34 C ATOM 468 CE1 HIS A 33 1.752 -13.678 -3.639 1.00 71.03 C ATOM 469 NE2 HIS A 33 1.064 -14.793 -3.854 1.00 45.24 N ATOM 0 H HIS A 33 -0.746 -14.221 1.979 1.00 44.51 H new ATOM 0 HA HIS A 33 1.232 -15.491 0.345 1.00 15.42 H new ATOM 0 HB2 HIS A 33 -0.993 -14.348 -0.395 1.00 63.53 H new ATOM 0 HB3 HIS A 33 -0.124 -12.832 -0.253 1.00 63.53 H new ATOM 0 HD2 HIS A 33 -0.364 -15.897 -2.618 1.00 64.34 H new ATOM 0 HE1 HIS A 33 2.438 -13.217 -4.334 1.00 71.03 H new ATOM 0 HE2 HIS A 33 1.096 -15.357 -4.703 1.00 45.24 H new ATOM 478 N GLY A 34 2.205 -13.117 2.197 1.00 64.15 N ATOM 479 CA GLY A 34 3.267 -12.180 2.555 1.00 43.02 C ATOM 480 C GLY A 34 3.107 -10.897 1.786 1.00 44.24 C ATOM 481 O GLY A 34 4.033 -10.090 1.727 1.00 45.02 O ATOM 0 H GLY A 34 1.600 -13.380 2.975 1.00 64.15 H new ATOM 0 HA2 GLY A 34 3.238 -11.977 3.626 1.00 43.02 H new ATOM 0 HA3 GLY A 34 4.240 -12.622 2.341 1.00 43.02 H new ATOM 485 N GLY A 35 1.927 -10.692 1.167 1.00 52.11 N ATOM 486 CA GLY A 35 1.687 -9.522 0.359 1.00 51.15 C ATOM 487 C GLY A 35 1.676 -8.355 1.258 1.00 13.12 C ATOM 488 O GLY A 35 1.406 -8.489 2.447 1.00 22.11 O ATOM 0 H GLY A 35 1.136 -11.334 1.223 1.00 52.11 H new ATOM 0 HA2 GLY A 35 2.463 -9.414 -0.399 1.00 51.15 H new ATOM 0 HA3 GLY A 35 0.737 -9.609 -0.168 1.00 51.15 H new ATOM 492 N ILE A 36 1.993 -7.177 0.722 1.00 5.13 N ATOM 493 CA ILE A 36 2.056 -6.009 1.536 1.00 75.22 C ATOM 494 C ILE A 36 0.648 -5.456 1.567 1.00 52.15 C ATOM 495 O ILE A 36 0.279 -4.643 0.737 1.00 21.31 O ATOM 496 CB ILE A 36 3.025 -4.955 1.000 1.00 14.23 C ATOM 497 CG1 ILE A 36 4.406 -5.590 0.646 1.00 11.45 C ATOM 498 CG2 ILE A 36 3.138 -3.813 2.030 1.00 74.21 C ATOM 499 CD1 ILE A 36 5.118 -6.278 1.825 1.00 32.21 C ATOM 0 H ILE A 36 2.205 -7.027 -0.264 1.00 5.13 H new ATOM 0 HA ILE A 36 2.431 -6.268 2.526 1.00 75.22 H new ATOM 0 HB ILE A 36 2.643 -4.537 0.069 1.00 14.23 H new ATOM 0 HG12 ILE A 36 4.262 -6.321 -0.150 1.00 11.45 H new ATOM 0 HG13 ILE A 36 5.058 -4.811 0.250 1.00 11.45 H new ATOM 0 HG21 ILE A 36 3.827 -3.055 1.658 1.00 74.21 H new ATOM 0 HG22 ILE A 36 2.156 -3.366 2.187 1.00 74.21 H new ATOM 0 HG23 ILE A 36 3.511 -4.210 2.974 1.00 74.21 H new ATOM 0 HD11 ILE A 36 6.069 -6.690 1.486 1.00 32.21 H new ATOM 0 HD12 ILE A 36 5.299 -5.550 2.615 1.00 32.21 H new ATOM 0 HD13 ILE A 36 4.491 -7.082 2.210 1.00 32.21 H new ATOM 511 N TYR A 37 -0.192 -5.940 2.505 1.00 71.31 N ATOM 512 CA TYR A 37 -1.586 -5.546 2.510 1.00 75.24 C ATOM 513 C TYR A 37 -1.670 -4.267 3.241 1.00 21.12 C ATOM 514 O TYR A 37 -0.970 -4.052 4.239 1.00 32.33 O ATOM 515 CB TYR A 37 -2.572 -6.534 3.217 1.00 22.45 C ATOM 516 CG TYR A 37 -2.630 -7.824 2.441 1.00 71.12 C ATOM 517 CD1 TYR A 37 -1.611 -8.776 2.585 1.00 64.31 C ATOM 518 CD2 TYR A 37 -3.721 -8.116 1.576 1.00 31.32 C ATOM 519 CE1 TYR A 37 -1.641 -9.982 1.873 1.00 32.42 C ATOM 520 CE2 TYR A 37 -3.759 -9.340 0.867 1.00 33.41 C ATOM 521 CZ TYR A 37 -2.706 -10.268 1.013 1.00 65.13 C ATOM 522 OH TYR A 37 -2.717 -11.491 0.311 1.00 60.24 O ATOM 0 H TYR A 37 0.077 -6.588 3.245 1.00 71.31 H new ATOM 0 HA TYR A 37 -1.891 -5.505 1.464 1.00 75.24 H new ATOM 0 HB2 TYR A 37 -2.242 -6.726 4.238 1.00 22.45 H new ATOM 0 HB3 TYR A 37 -3.566 -6.090 3.281 1.00 22.45 H new ATOM 0 HD1 TYR A 37 -0.789 -8.576 3.256 1.00 64.31 H new ATOM 0 HD2 TYR A 37 -4.523 -7.401 1.460 1.00 31.32 H new ATOM 0 HE1 TYR A 37 -0.838 -10.694 1.989 1.00 32.42 H new ATOM 0 HE2 TYR A 37 -4.591 -9.563 0.216 1.00 33.41 H new ATOM 0 HH TYR A 37 -3.523 -11.542 -0.244 1.00 60.24 H new ATOM 532 N VAL A 38 -2.540 -3.375 2.760 1.00 5.11 N ATOM 533 CA VAL A 38 -2.795 -2.142 3.419 1.00 52.25 C ATOM 534 C VAL A 38 -3.519 -2.488 4.698 1.00 13.41 C ATOM 535 O VAL A 38 -4.467 -3.290 4.696 1.00 63.02 O ATOM 536 CB VAL A 38 -3.631 -1.208 2.571 1.00 41.31 C ATOM 537 CG1 VAL A 38 -3.859 0.105 3.323 1.00 61.43 C ATOM 538 CG2 VAL A 38 -2.898 -1.004 1.219 1.00 53.02 C ATOM 0 H VAL A 38 -3.075 -3.510 1.902 1.00 5.11 H new ATOM 0 HA VAL A 38 -1.860 -1.616 3.613 1.00 52.25 H new ATOM 0 HB VAL A 38 -4.617 -1.627 2.368 1.00 41.31 H new ATOM 0 HG11 VAL A 38 -4.461 0.776 2.710 1.00 61.43 H new ATOM 0 HG12 VAL A 38 -4.380 -0.097 4.259 1.00 61.43 H new ATOM 0 HG13 VAL A 38 -2.898 0.573 3.537 1.00 61.43 H new ATOM 0 HG21 VAL A 38 -3.480 -0.333 0.587 1.00 53.02 H new ATOM 0 HG22 VAL A 38 -1.915 -0.570 1.400 1.00 53.02 H new ATOM 0 HG23 VAL A 38 -2.783 -1.966 0.719 1.00 53.02 H new ATOM 548 N LYS A 39 -3.005 -1.961 5.816 1.00 60.03 N ATOM 549 CA LYS A 39 -3.403 -2.408 7.122 1.00 41.44 C ATOM 550 C LYS A 39 -4.344 -1.403 7.682 1.00 52.41 C ATOM 551 O LYS A 39 -5.333 -1.752 8.318 1.00 44.51 O ATOM 552 CB LYS A 39 -2.191 -2.481 8.075 1.00 73.55 C ATOM 553 CG LYS A 39 -2.515 -3.038 9.468 1.00 12.42 C ATOM 554 CD LYS A 39 -1.347 -2.922 10.450 1.00 62.41 C ATOM 555 CE LYS A 39 -1.758 -3.255 11.892 1.00 20.42 C ATOM 556 NZ LYS A 39 -0.670 -2.959 12.840 1.00 12.14 N ATOM 0 H LYS A 39 -2.307 -1.218 5.823 1.00 60.03 H new ATOM 0 HA LYS A 39 -3.854 -3.396 7.033 1.00 41.44 H new ATOM 0 HB2 LYS A 39 -1.421 -3.103 7.618 1.00 73.55 H new ATOM 0 HB3 LYS A 39 -1.770 -1.482 8.185 1.00 73.55 H new ATOM 0 HG2 LYS A 39 -3.376 -2.507 9.873 1.00 12.42 H new ATOM 0 HG3 LYS A 39 -2.801 -4.086 9.376 1.00 12.42 H new ATOM 0 HD2 LYS A 39 -0.547 -3.593 10.139 1.00 62.41 H new ATOM 0 HD3 LYS A 39 -0.945 -1.909 10.414 1.00 62.41 H new ATOM 0 HE2 LYS A 39 -2.644 -2.681 12.162 1.00 20.42 H new ATOM 0 HE3 LYS A 39 -2.027 -4.309 11.962 1.00 20.42 H new ATOM 0 HZ1 LYS A 39 -0.977 -3.194 13.805 1.00 12.14 H new ATOM 0 HZ2 LYS A 39 0.167 -3.525 12.595 1.00 12.14 H new ATOM 0 HZ3 LYS A 39 -0.431 -1.948 12.789 1.00 12.14 H new ATOM 570 N ALA A 40 -4.029 -0.127 7.494 1.00 73.03 N ATOM 571 CA ALA A 40 -4.803 0.900 8.119 1.00 50.21 C ATOM 572 C ALA A 40 -4.711 2.076 7.253 1.00 25.04 C ATOM 573 O ALA A 40 -3.731 2.243 6.524 1.00 60.44 O ATOM 574 CB ALA A 40 -4.291 1.316 9.518 1.00 2.01 C ATOM 0 H ALA A 40 -3.253 0.203 6.920 1.00 73.03 H new ATOM 0 HA ALA A 40 -5.814 0.517 8.254 1.00 50.21 H new ATOM 0 HB1 ALA A 40 -4.933 2.099 9.922 1.00 2.01 H new ATOM 0 HB2 ALA A 40 -4.308 0.453 10.183 1.00 2.01 H new ATOM 0 HB3 ALA A 40 -3.271 1.690 9.436 1.00 2.01 H new ATOM 580 N VAL A 41 -5.742 2.914 7.325 1.00 11.22 N ATOM 581 CA VAL A 41 -5.769 4.151 6.629 1.00 13.44 C ATOM 582 C VAL A 41 -6.417 5.107 7.602 1.00 42.33 C ATOM 583 O VAL A 41 -7.449 4.787 8.193 1.00 12.15 O ATOM 584 CB VAL A 41 -6.603 4.104 5.340 1.00 13.22 C ATOM 585 CG1 VAL A 41 -6.608 5.497 4.683 1.00 10.04 C ATOM 586 CG2 VAL A 41 -6.015 3.017 4.412 1.00 52.21 C ATOM 0 H VAL A 41 -6.579 2.731 7.879 1.00 11.22 H new ATOM 0 HA VAL A 41 -4.764 4.435 6.317 1.00 13.44 H new ATOM 0 HB VAL A 41 -7.640 3.843 5.552 1.00 13.22 H new ATOM 0 HG11 VAL A 41 -7.199 5.466 3.768 1.00 10.04 H new ATOM 0 HG12 VAL A 41 -7.042 6.222 5.371 1.00 10.04 H new ATOM 0 HG13 VAL A 41 -5.586 5.790 4.444 1.00 10.04 H new ATOM 0 HG21 VAL A 41 -6.597 2.971 3.491 1.00 52.21 H new ATOM 0 HG22 VAL A 41 -4.980 3.262 4.175 1.00 52.21 H new ATOM 0 HG23 VAL A 41 -6.053 2.050 4.914 1.00 52.21 H new ATOM 596 N ILE A 42 -5.807 6.297 7.803 1.00 61.24 N ATOM 597 CA ILE A 42 -6.405 7.290 8.705 1.00 71.24 C ATOM 598 C ILE A 42 -7.553 7.863 7.918 1.00 14.24 C ATOM 599 O ILE A 42 -7.435 8.051 6.707 1.00 13.40 O ATOM 600 CB ILE A 42 -5.464 8.470 9.116 1.00 30.41 C ATOM 601 CG1 ILE A 42 -4.081 7.980 9.503 1.00 65.33 C ATOM 602 CG2 ILE A 42 -6.103 9.270 10.262 1.00 12.54 C ATOM 603 CD1 ILE A 42 -4.071 6.971 10.591 1.00 31.44 C ATOM 0 H ILE A 42 -4.930 6.581 7.366 1.00 61.24 H new ATOM 0 HA ILE A 42 -6.669 6.798 9.641 1.00 71.24 H new ATOM 0 HB ILE A 42 -5.340 9.122 8.251 1.00 30.41 H new ATOM 0 HG12 ILE A 42 -3.601 7.552 8.623 1.00 65.33 H new ATOM 0 HG13 ILE A 42 -3.479 8.835 9.811 1.00 65.33 H new ATOM 0 HG21 ILE A 42 -5.444 10.091 10.545 1.00 12.54 H new ATOM 0 HG22 ILE A 42 -7.062 9.671 9.935 1.00 12.54 H new ATOM 0 HG23 ILE A 42 -6.257 8.616 11.120 1.00 12.54 H new ATOM 0 HD11 ILE A 42 -3.044 6.676 10.804 1.00 31.44 H new ATOM 0 HD12 ILE A 42 -4.519 7.399 11.488 1.00 31.44 H new ATOM 0 HD13 ILE A 42 -4.643 6.096 10.281 1.00 31.44 H new ATOM 615 N PRO A 43 -8.676 8.170 8.577 1.00 14.03 N ATOM 616 CA PRO A 43 -9.708 8.973 7.974 1.00 24.42 C ATOM 617 C PRO A 43 -9.093 10.306 7.595 1.00 30.44 C ATOM 618 O PRO A 43 -8.656 11.043 8.477 1.00 30.04 O ATOM 619 CB PRO A 43 -10.804 9.104 9.046 1.00 55.40 C ATOM 620 CG PRO A 43 -10.095 8.743 10.374 1.00 54.03 C ATOM 621 CD PRO A 43 -9.009 7.756 9.944 1.00 32.32 C ATOM 0 HA PRO A 43 -10.138 8.547 7.067 1.00 24.42 H new ATOM 0 HB2 PRO A 43 -11.211 10.115 9.076 1.00 55.40 H new ATOM 0 HB3 PRO A 43 -11.637 8.431 8.846 1.00 55.40 H new ATOM 0 HG2 PRO A 43 -9.669 9.624 10.854 1.00 54.03 H new ATOM 0 HG3 PRO A 43 -10.785 8.294 11.088 1.00 54.03 H new ATOM 0 HD2 PRO A 43 -8.140 7.808 10.600 1.00 32.32 H new ATOM 0 HD3 PRO A 43 -9.370 6.728 9.973 1.00 32.32 H new ATOM 629 N GLN A 44 -9.045 10.571 6.281 1.00 72.44 N ATOM 630 CA GLN A 44 -8.427 11.749 5.701 1.00 44.23 C ATOM 631 C GLN A 44 -6.922 11.616 5.679 1.00 12.24 C ATOM 632 O GLN A 44 -6.236 12.605 5.467 1.00 73.31 O ATOM 633 CB GLN A 44 -8.774 13.110 6.369 1.00 51.24 C ATOM 634 CG GLN A 44 -10.271 13.382 6.502 1.00 52.20 C ATOM 635 CD GLN A 44 -10.421 14.754 7.138 1.00 21.34 C ATOM 636 OE1 GLN A 44 -9.871 15.010 8.211 1.00 64.11 O ATOM 637 NE2 GLN A 44 -11.146 15.657 6.485 1.00 42.44 N ATOM 0 H GLN A 44 -9.449 9.948 5.582 1.00 72.44 H new ATOM 0 HA GLN A 44 -8.854 11.779 4.699 1.00 44.23 H new ATOM 0 HB2 GLN A 44 -8.322 13.141 7.360 1.00 51.24 H new ATOM 0 HB3 GLN A 44 -8.321 13.913 5.787 1.00 51.24 H new ATOM 0 HG2 GLN A 44 -10.756 13.355 5.526 1.00 52.20 H new ATOM 0 HG3 GLN A 44 -10.748 12.618 7.116 1.00 52.20 H new ATOM 0 HE21 GLN A 44 -11.588 15.412 5.599 1.00 42.44 H new ATOM 0 HE22 GLN A 44 -11.260 16.595 6.870 1.00 42.44 H new ATOM 646 N GLY A 45 -6.348 10.382 5.808 1.00 32.20 N ATOM 647 CA GLY A 45 -4.945 10.207 5.445 1.00 2.22 C ATOM 648 C GLY A 45 -4.874 10.328 3.939 1.00 41.51 C ATOM 649 O GLY A 45 -5.901 10.393 3.269 1.00 42.42 O ATOM 0 H GLY A 45 -6.823 9.545 6.145 1.00 32.20 H new ATOM 0 HA2 GLY A 45 -4.323 10.962 5.925 1.00 2.22 H new ATOM 0 HA3 GLY A 45 -4.577 9.235 5.774 1.00 2.22 H new ATOM 653 N ALA A 46 -3.651 10.352 3.370 1.00 23.23 N ATOM 654 CA ALA A 46 -3.459 10.655 1.953 1.00 45.11 C ATOM 655 C ALA A 46 -4.131 9.589 1.123 1.00 44.44 C ATOM 656 O ALA A 46 -4.694 9.872 0.076 1.00 1.14 O ATOM 657 CB ALA A 46 -1.961 10.720 1.544 1.00 61.43 C ATOM 0 H ALA A 46 -2.787 10.164 3.878 1.00 23.23 H new ATOM 0 HA ALA A 46 -3.896 11.638 1.777 1.00 45.11 H new ATOM 0 HB1 ALA A 46 -1.884 10.948 0.481 1.00 61.43 H new ATOM 0 HB2 ALA A 46 -1.460 11.498 2.120 1.00 61.43 H new ATOM 0 HB3 ALA A 46 -1.487 9.759 1.744 1.00 61.43 H new ATOM 663 N ALA A 47 -4.099 8.328 1.612 1.00 30.22 N ATOM 664 CA ALA A 47 -4.706 7.205 0.891 1.00 71.25 C ATOM 665 C ALA A 47 -6.202 7.440 0.775 1.00 12.24 C ATOM 666 O ALA A 47 -6.776 7.262 -0.285 1.00 30.51 O ATOM 667 CB ALA A 47 -4.502 5.853 1.601 1.00 11.54 C ATOM 0 H ALA A 47 -3.661 8.072 2.497 1.00 30.22 H new ATOM 0 HA ALA A 47 -4.219 7.157 -0.083 1.00 71.25 H new ATOM 0 HB1 ALA A 47 -4.974 5.061 1.019 1.00 11.54 H new ATOM 0 HB2 ALA A 47 -3.435 5.648 1.694 1.00 11.54 H new ATOM 0 HB3 ALA A 47 -4.952 5.891 2.593 1.00 11.54 H new ATOM 673 N GLU A 48 -6.846 7.852 1.893 1.00 71.00 N ATOM 674 CA GLU A 48 -8.301 8.044 1.925 1.00 14.23 C ATOM 675 C GLU A 48 -8.652 9.248 1.077 1.00 50.05 C ATOM 676 O GLU A 48 -9.672 9.261 0.396 1.00 4.03 O ATOM 677 CB GLU A 48 -8.860 8.288 3.359 1.00 30.33 C ATOM 678 CG GLU A 48 -10.403 8.450 3.431 1.00 43.45 C ATOM 679 CD GLU A 48 -11.057 7.144 3.029 1.00 52.24 C ATOM 680 OE1 GLU A 48 -10.830 6.137 3.710 1.00 41.21 O ATOM 681 OE2 GLU A 48 -11.830 7.118 2.040 1.00 12.21 O ATOM 0 H GLU A 48 -6.377 8.055 2.776 1.00 71.00 H new ATOM 0 HA GLU A 48 -8.749 7.125 1.547 1.00 14.23 H new ATOM 0 HB2 GLU A 48 -8.565 7.455 3.997 1.00 30.33 H new ATOM 0 HB3 GLU A 48 -8.394 9.184 3.769 1.00 30.33 H new ATOM 0 HG2 GLU A 48 -10.705 8.727 4.441 1.00 43.45 H new ATOM 0 HG3 GLU A 48 -10.728 9.253 2.769 1.00 43.45 H new ATOM 688 N SER A 49 -7.796 10.283 1.093 1.00 14.31 N ATOM 689 CA SER A 49 -8.084 11.504 0.372 1.00 73.33 C ATOM 690 C SER A 49 -7.976 11.220 -1.110 1.00 12.52 C ATOM 691 O SER A 49 -8.745 11.749 -1.910 1.00 33.25 O ATOM 692 CB SER A 49 -7.118 12.653 0.742 1.00 34.12 C ATOM 693 OG SER A 49 -7.267 12.969 2.137 1.00 70.53 O ATOM 0 H SER A 49 -6.909 10.286 1.597 1.00 14.31 H new ATOM 0 HA SER A 49 -9.089 11.828 0.644 1.00 73.33 H new ATOM 0 HB2 SER A 49 -6.089 12.361 0.532 1.00 34.12 H new ATOM 0 HB3 SER A 49 -7.330 13.532 0.134 1.00 34.12 H new ATOM 0 HG SER A 49 -6.884 12.248 2.679 1.00 70.53 H new ATOM 699 N ASP A 50 -7.030 10.341 -1.508 1.00 3.44 N ATOM 700 CA ASP A 50 -6.935 9.951 -2.916 1.00 14.31 C ATOM 701 C ASP A 50 -8.122 9.055 -3.221 1.00 70.20 C ATOM 702 O ASP A 50 -8.817 9.239 -4.212 1.00 22.40 O ATOM 703 CB ASP A 50 -5.635 9.200 -3.298 1.00 52.12 C ATOM 704 CG ASP A 50 -5.524 9.196 -4.820 1.00 13.43 C ATOM 705 OD1 ASP A 50 -5.450 10.297 -5.419 1.00 40.11 O ATOM 706 OD2 ASP A 50 -5.518 8.121 -5.421 1.00 75.13 O ATOM 0 H ASP A 50 -6.345 9.905 -0.890 1.00 3.44 H new ATOM 0 HA ASP A 50 -6.926 10.871 -3.501 1.00 14.31 H new ATOM 0 HB2 ASP A 50 -4.768 9.689 -2.854 1.00 52.12 H new ATOM 0 HB3 ASP A 50 -5.657 8.180 -2.915 1.00 52.12 H new ATOM 711 N GLY A 51 -8.409 8.104 -2.312 1.00 63.04 N ATOM 712 CA GLY A 51 -9.611 7.284 -2.417 1.00 64.12 C ATOM 713 C GLY A 51 -9.304 5.973 -3.073 1.00 75.34 C ATOM 714 O GLY A 51 -10.056 5.029 -2.946 1.00 3.32 O ATOM 0 H GLY A 51 -7.823 7.892 -1.504 1.00 63.04 H new ATOM 0 HA2 GLY A 51 -10.026 7.111 -1.424 1.00 64.12 H new ATOM 0 HA3 GLY A 51 -10.370 7.815 -2.992 1.00 64.12 H new ATOM 718 N ARG A 52 -8.196 5.887 -3.819 1.00 21.03 N ATOM 719 CA ARG A 52 -7.916 4.675 -4.584 1.00 0.11 C ATOM 720 C ARG A 52 -7.494 3.576 -3.635 1.00 65.12 C ATOM 721 O ARG A 52 -7.849 2.419 -3.828 1.00 44.31 O ATOM 722 CB ARG A 52 -6.783 4.865 -5.613 1.00 62.23 C ATOM 723 CG ARG A 52 -7.067 5.925 -6.698 1.00 14.20 C ATOM 724 CD ARG A 52 -7.825 5.420 -7.940 1.00 35.51 C ATOM 725 NE ARG A 52 -9.237 5.069 -7.575 1.00 35.41 N ATOM 726 CZ ARG A 52 -10.083 4.493 -8.505 1.00 5.22 C ATOM 727 NH1 ARG A 52 -9.663 4.264 -9.786 1.00 24.35 N ATOM 728 NH2 ARG A 52 -11.339 4.160 -8.151 1.00 61.23 N ATOM 0 H ARG A 52 -7.497 6.624 -3.906 1.00 21.03 H new ATOM 0 HA ARG A 52 -8.830 4.423 -5.122 1.00 0.11 H new ATOM 0 HB2 ARG A 52 -5.872 5.143 -5.083 1.00 62.23 H new ATOM 0 HB3 ARG A 52 -6.589 3.909 -6.100 1.00 62.23 H new ATOM 0 HG2 ARG A 52 -7.642 6.734 -6.248 1.00 14.20 H new ATOM 0 HG3 ARG A 52 -6.117 6.350 -7.022 1.00 14.20 H new ATOM 0 HD2 ARG A 52 -7.821 6.187 -8.715 1.00 35.51 H new ATOM 0 HD3 ARG A 52 -7.320 4.547 -8.354 1.00 35.51 H new ATOM 0 HE ARG A 52 -9.576 5.257 -6.632 1.00 35.41 H new ATOM 0 HH11 ARG A 52 -8.716 4.519 -10.065 1.00 24.35 H new ATOM 0 HH12 ARG A 52 -10.297 3.838 -10.462 1.00 24.35 H new ATOM 0 HH21 ARG A 52 -11.664 4.333 -7.200 1.00 61.23 H new ATOM 0 HH22 ARG A 52 -11.966 3.735 -8.834 1.00 61.23 H new ATOM 742 N ILE A 53 -6.706 3.916 -2.611 1.00 61.23 N ATOM 743 CA ILE A 53 -6.140 2.904 -1.747 1.00 4.32 C ATOM 744 C ILE A 53 -6.965 2.881 -0.487 1.00 32.03 C ATOM 745 O ILE A 53 -7.234 3.928 0.104 1.00 34.40 O ATOM 746 CB ILE A 53 -4.690 3.207 -1.388 1.00 20.02 C ATOM 747 CG1 ILE A 53 -3.870 3.432 -2.681 1.00 60.42 C ATOM 748 CG2 ILE A 53 -4.127 2.063 -0.504 1.00 21.43 C ATOM 749 CD1 ILE A 53 -2.416 3.798 -2.421 1.00 43.14 C ATOM 0 H ILE A 53 -6.454 4.875 -2.371 1.00 61.23 H new ATOM 0 HA ILE A 53 -6.153 1.944 -2.263 1.00 4.32 H new ATOM 0 HB ILE A 53 -4.622 4.126 -0.806 1.00 20.02 H new ATOM 0 HG12 ILE A 53 -3.906 2.527 -3.287 1.00 60.42 H new ATOM 0 HG13 ILE A 53 -4.337 4.225 -3.265 1.00 60.42 H new ATOM 0 HG21 ILE A 53 -3.090 2.279 -0.247 1.00 21.43 H new ATOM 0 HG22 ILE A 53 -4.718 1.984 0.408 1.00 21.43 H new ATOM 0 HG23 ILE A 53 -4.177 1.122 -1.052 1.00 21.43 H new ATOM 0 HD11 ILE A 53 -1.901 3.941 -3.371 1.00 43.14 H new ATOM 0 HD12 ILE A 53 -2.371 4.720 -1.842 1.00 43.14 H new ATOM 0 HD13 ILE A 53 -1.933 2.995 -1.864 1.00 43.14 H new ATOM 761 N HIS A 54 -7.379 1.677 -0.044 1.00 23.02 N ATOM 762 CA HIS A 54 -8.047 1.543 1.229 1.00 4.31 C ATOM 763 C HIS A 54 -7.533 0.271 1.822 1.00 44.15 C ATOM 764 O HIS A 54 -6.694 -0.400 1.233 1.00 53.15 O ATOM 765 CB HIS A 54 -9.597 1.463 1.143 1.00 14.24 C ATOM 766 CG HIS A 54 -10.220 2.791 0.811 1.00 62.23 C ATOM 767 ND1 HIS A 54 -10.498 3.178 -0.466 1.00 71.34 N ATOM 768 CD2 HIS A 54 -10.551 3.820 1.618 1.00 44.35 C ATOM 769 CE1 HIS A 54 -10.991 4.406 -0.435 1.00 64.42 C ATOM 770 NE2 HIS A 54 -11.028 4.818 0.827 1.00 21.13 N ATOM 0 H HIS A 54 -7.256 0.803 -0.555 1.00 23.02 H new ATOM 0 HA HIS A 54 -7.838 2.433 1.823 1.00 4.31 H new ATOM 0 HB2 HIS A 54 -9.879 0.732 0.385 1.00 14.24 H new ATOM 0 HB3 HIS A 54 -9.993 1.106 2.093 1.00 14.24 H new ATOM 0 HD2 HIS A 54 -10.455 3.846 2.693 1.00 44.35 H new ATOM 0 HE1 HIS A 54 -11.310 4.978 -1.294 1.00 64.42 H new ATOM 0 HE2 HIS A 54 -11.358 5.728 1.148 1.00 21.13 H new ATOM 779 N LYS A 55 -8.022 -0.083 3.031 1.00 5.02 N ATOM 780 CA LYS A 55 -7.631 -1.321 3.681 1.00 10.13 C ATOM 781 C LYS A 55 -8.185 -2.432 2.833 1.00 61.11 C ATOM 782 O LYS A 55 -9.280 -2.298 2.282 1.00 31.13 O ATOM 783 CB LYS A 55 -8.236 -1.482 5.107 1.00 71.41 C ATOM 784 CG LYS A 55 -7.690 -2.704 5.885 1.00 53.34 C ATOM 785 CD LYS A 55 -8.623 -3.227 6.981 1.00 24.33 C ATOM 786 CE LYS A 55 -8.917 -2.235 8.121 1.00 34.22 C ATOM 787 NZ LYS A 55 -9.841 -2.855 9.099 1.00 71.53 N ATOM 0 H LYS A 55 -8.686 0.480 3.563 1.00 5.02 H new ATOM 0 HA LYS A 55 -6.546 -1.332 3.783 1.00 10.13 H new ATOM 0 HB2 LYS A 55 -8.034 -0.578 5.681 1.00 71.41 H new ATOM 0 HB3 LYS A 55 -9.319 -1.571 5.024 1.00 71.41 H new ATOM 0 HG2 LYS A 55 -7.492 -3.510 5.178 1.00 53.34 H new ATOM 0 HG3 LYS A 55 -6.735 -2.435 6.336 1.00 53.34 H new ATOM 0 HD2 LYS A 55 -9.568 -3.519 6.523 1.00 24.33 H new ATOM 0 HD3 LYS A 55 -8.185 -4.128 7.409 1.00 24.33 H new ATOM 0 HE2 LYS A 55 -7.988 -1.949 8.615 1.00 34.22 H new ATOM 0 HE3 LYS A 55 -9.358 -1.323 7.718 1.00 34.22 H new ATOM 0 HZ1 LYS A 55 -10.037 -2.182 9.867 1.00 71.53 H new ATOM 0 HZ2 LYS A 55 -10.731 -3.107 8.624 1.00 71.53 H new ATOM 0 HZ3 LYS A 55 -9.405 -3.713 9.494 1.00 71.53 H new ATOM 801 N GLY A 56 -7.462 -3.552 2.702 1.00 44.44 N ATOM 802 CA GLY A 56 -7.981 -4.671 1.944 1.00 2.12 C ATOM 803 C GLY A 56 -7.282 -4.704 0.633 1.00 61.32 C ATOM 804 O GLY A 56 -7.329 -5.702 -0.077 1.00 21.32 O ATOM 0 H GLY A 56 -6.536 -3.696 3.106 1.00 44.44 H new ATOM 0 HA2 GLY A 56 -7.821 -5.604 2.484 1.00 2.12 H new ATOM 0 HA3 GLY A 56 -9.056 -4.567 1.800 1.00 2.12 H new ATOM 808 N ASP A 57 -6.611 -3.594 0.281 1.00 61.53 N ATOM 809 CA ASP A 57 -5.834 -3.526 -0.939 1.00 4.24 C ATOM 810 C ASP A 57 -4.490 -4.029 -0.575 1.00 41.32 C ATOM 811 O ASP A 57 -4.151 -4.076 0.609 1.00 60.14 O ATOM 812 CB ASP A 57 -5.670 -2.073 -1.465 1.00 11.31 C ATOM 813 CG ASP A 57 -6.970 -1.677 -2.135 1.00 42.42 C ATOM 814 OD1 ASP A 57 -7.310 -2.273 -3.189 1.00 61.44 O ATOM 815 OD2 ASP A 57 -7.693 -0.807 -1.597 1.00 14.41 O ATOM 0 H ASP A 57 -6.600 -2.737 0.834 1.00 61.53 H new ATOM 0 HA ASP A 57 -6.332 -4.098 -1.722 1.00 4.24 H new ATOM 0 HB2 ASP A 57 -5.440 -1.393 -0.645 1.00 11.31 H new ATOM 0 HB3 ASP A 57 -4.842 -2.013 -2.171 1.00 11.31 H new ATOM 820 N ARG A 58 -3.685 -4.441 -1.566 1.00 1.32 N ATOM 821 CA ARG A 58 -2.349 -4.884 -1.268 1.00 61.31 C ATOM 822 C ARG A 58 -1.451 -4.207 -2.226 1.00 1.02 C ATOM 823 O ARG A 58 -1.826 -3.938 -3.355 1.00 71.12 O ATOM 824 CB ARG A 58 -2.125 -6.415 -1.376 1.00 41.51 C ATOM 825 CG ARG A 58 -2.746 -7.057 -2.622 1.00 34.04 C ATOM 826 CD ARG A 58 -2.392 -8.549 -2.764 1.00 60.12 C ATOM 827 NE ARG A 58 -3.160 -9.117 -3.924 1.00 52.51 N ATOM 828 CZ ARG A 58 -4.429 -9.658 -3.773 1.00 65.01 C ATOM 829 NH1 ARG A 58 -5.044 -9.652 -2.550 1.00 11.22 N ATOM 830 NH2 ARG A 58 -5.057 -10.199 -4.851 1.00 62.52 N ATOM 0 H ARG A 58 -3.943 -4.471 -2.552 1.00 1.32 H new ATOM 0 HA ARG A 58 -2.150 -4.635 -0.226 1.00 61.31 H new ATOM 0 HB2 ARG A 58 -1.053 -6.615 -1.374 1.00 41.51 H new ATOM 0 HB3 ARG A 58 -2.540 -6.895 -0.489 1.00 41.51 H new ATOM 0 HG2 ARG A 58 -3.830 -6.948 -2.580 1.00 34.04 H new ATOM 0 HG3 ARG A 58 -2.406 -6.522 -3.509 1.00 34.04 H new ATOM 0 HD2 ARG A 58 -1.321 -8.670 -2.924 1.00 60.12 H new ATOM 0 HD3 ARG A 58 -2.640 -9.085 -1.848 1.00 60.12 H new ATOM 0 HE ARG A 58 -2.735 -9.105 -4.851 1.00 52.51 H new ATOM 0 HH11 ARG A 58 -4.569 -9.248 -1.742 1.00 11.22 H new ATOM 0 HH12 ARG A 58 -5.977 -10.051 -2.446 1.00 11.22 H new ATOM 0 HH21 ARG A 58 -4.595 -10.205 -5.760 1.00 62.52 H new ATOM 0 HH22 ARG A 58 -5.990 -10.599 -4.750 1.00 62.52 H new ATOM 844 N VAL A 59 -0.238 -3.901 -1.768 1.00 54.23 N ATOM 845 CA VAL A 59 0.741 -3.236 -2.549 1.00 0.25 C ATOM 846 C VAL A 59 1.682 -4.320 -2.977 1.00 72.14 C ATOM 847 O VAL A 59 1.913 -5.279 -2.232 1.00 13.31 O ATOM 848 CB VAL A 59 1.530 -2.196 -1.731 1.00 62.53 C ATOM 849 CG1 VAL A 59 2.395 -1.329 -2.681 1.00 43.05 C ATOM 850 CG2 VAL A 59 0.528 -1.360 -0.897 1.00 62.54 C ATOM 0 H VAL A 59 0.074 -4.123 -0.823 1.00 54.23 H new ATOM 0 HA VAL A 59 0.274 -2.699 -3.375 1.00 0.25 H new ATOM 0 HB VAL A 59 2.218 -2.681 -1.038 1.00 62.53 H new ATOM 0 HG11 VAL A 59 2.951 -0.595 -2.098 1.00 43.05 H new ATOM 0 HG12 VAL A 59 3.093 -1.968 -3.222 1.00 43.05 H new ATOM 0 HG13 VAL A 59 1.749 -0.814 -3.392 1.00 43.05 H new ATOM 0 HG21 VAL A 59 1.072 -0.618 -0.312 1.00 62.54 H new ATOM 0 HG22 VAL A 59 -0.169 -0.855 -1.565 1.00 62.54 H new ATOM 0 HG23 VAL A 59 -0.025 -2.018 -0.226 1.00 62.54 H new ATOM 860 N LEU A 60 2.228 -4.210 -4.183 1.00 73.13 N ATOM 861 CA LEU A 60 3.230 -5.155 -4.614 1.00 34.44 C ATOM 862 C LEU A 60 4.479 -4.380 -4.844 1.00 3.32 C ATOM 863 O LEU A 60 5.559 -4.774 -4.381 1.00 74.12 O ATOM 864 CB LEU A 60 2.892 -5.961 -5.903 1.00 42.42 C ATOM 865 CG LEU A 60 2.098 -5.216 -6.986 1.00 70.13 C ATOM 866 CD1 LEU A 60 2.403 -5.762 -8.373 1.00 11.35 C ATOM 867 CD2 LEU A 60 0.599 -5.234 -6.706 1.00 42.04 C ATOM 0 H LEU A 60 1.994 -3.487 -4.863 1.00 73.13 H new ATOM 0 HA LEU A 60 3.312 -5.909 -3.831 1.00 34.44 H new ATOM 0 HB2 LEU A 60 3.827 -6.309 -6.343 1.00 42.42 H new ATOM 0 HB3 LEU A 60 2.327 -6.847 -5.614 1.00 42.42 H new ATOM 0 HG LEU A 60 2.421 -4.175 -6.958 1.00 70.13 H new ATOM 0 HD11 LEU A 60 1.824 -5.213 -9.116 1.00 11.35 H new ATOM 0 HD12 LEU A 60 3.466 -5.647 -8.584 1.00 11.35 H new ATOM 0 HD13 LEU A 60 2.137 -6.818 -8.415 1.00 11.35 H new ATOM 0 HD21 LEU A 60 0.075 -4.696 -7.496 1.00 42.04 H new ATOM 0 HD22 LEU A 60 0.247 -6.265 -6.674 1.00 42.04 H new ATOM 0 HD23 LEU A 60 0.402 -4.754 -5.748 1.00 42.04 H new ATOM 879 N ALA A 61 4.374 -3.253 -5.560 1.00 40.34 N ATOM 880 CA ALA A 61 5.563 -2.519 -5.890 1.00 25.21 C ATOM 881 C ALA A 61 5.380 -1.088 -5.549 1.00 31.15 C ATOM 882 O ALA A 61 4.285 -0.611 -5.274 1.00 41.54 O ATOM 883 CB ALA A 61 5.967 -2.601 -7.381 1.00 52.30 C ATOM 0 H ALA A 61 3.501 -2.854 -5.904 1.00 40.34 H new ATOM 0 HA ALA A 61 6.360 -2.982 -5.308 1.00 25.21 H new ATOM 0 HB1 ALA A 61 6.874 -2.020 -7.545 1.00 52.30 H new ATOM 0 HB2 ALA A 61 6.149 -3.641 -7.652 1.00 52.30 H new ATOM 0 HB3 ALA A 61 5.163 -2.200 -7.998 1.00 52.30 H new ATOM 889 N VAL A 62 6.513 -0.400 -5.562 1.00 24.03 N ATOM 890 CA VAL A 62 6.596 0.993 -5.268 1.00 54.43 C ATOM 891 C VAL A 62 7.536 1.515 -6.294 1.00 75.03 C ATOM 892 O VAL A 62 8.718 1.305 -6.204 1.00 11.40 O ATOM 893 CB VAL A 62 7.159 1.297 -3.879 1.00 41.33 C ATOM 894 CG1 VAL A 62 7.237 2.835 -3.679 1.00 22.24 C ATOM 895 CG2 VAL A 62 6.262 0.596 -2.834 1.00 5.23 C ATOM 0 H VAL A 62 7.414 -0.822 -5.785 1.00 24.03 H new ATOM 0 HA VAL A 62 5.603 1.443 -5.280 1.00 54.43 H new ATOM 0 HB VAL A 62 8.173 0.915 -3.762 1.00 41.33 H new ATOM 0 HG11 VAL A 62 7.638 3.053 -2.689 1.00 22.24 H new ATOM 0 HG12 VAL A 62 7.888 3.268 -4.438 1.00 22.24 H new ATOM 0 HG13 VAL A 62 6.239 3.265 -3.769 1.00 22.24 H new ATOM 0 HG21 VAL A 62 6.643 0.798 -1.833 1.00 5.23 H new ATOM 0 HG22 VAL A 62 5.243 0.974 -2.917 1.00 5.23 H new ATOM 0 HG23 VAL A 62 6.266 -0.479 -3.014 1.00 5.23 H new ATOM 905 N ASN A 63 7.003 2.180 -7.319 1.00 21.21 N ATOM 906 CA ASN A 63 7.800 2.722 -8.423 1.00 20.12 C ATOM 907 C ASN A 63 8.612 1.619 -9.078 1.00 41.01 C ATOM 908 O ASN A 63 9.744 1.827 -9.503 1.00 11.02 O ATOM 909 CB ASN A 63 8.742 3.890 -8.001 1.00 30.10 C ATOM 910 CG ASN A 63 9.230 4.604 -9.257 1.00 54.44 C ATOM 911 OD1 ASN A 63 8.434 4.924 -10.138 1.00 64.52 O ATOM 912 ND2 ASN A 63 10.549 4.862 -9.352 1.00 53.41 N ATOM 0 H ASN A 63 6.003 2.359 -7.409 1.00 21.21 H new ATOM 0 HA ASN A 63 7.086 3.138 -9.134 1.00 20.12 H new ATOM 0 HB2 ASN A 63 8.212 4.587 -7.352 1.00 30.10 H new ATOM 0 HB3 ASN A 63 9.589 3.506 -7.432 1.00 30.10 H new ATOM 0 HD21 ASN A 63 10.918 5.338 -10.175 1.00 53.41 H new ATOM 0 HD22 ASN A 63 11.179 4.581 -8.601 1.00 53.41 H new ATOM 919 N GLY A 64 8.037 0.410 -9.184 1.00 54.22 N ATOM 920 CA GLY A 64 8.726 -0.675 -9.852 1.00 14.01 C ATOM 921 C GLY A 64 9.712 -1.301 -8.902 1.00 41.54 C ATOM 922 O GLY A 64 10.522 -2.131 -9.309 1.00 53.14 O ATOM 0 H GLY A 64 7.114 0.174 -8.819 1.00 54.22 H new ATOM 0 HA2 GLY A 64 8.008 -1.421 -10.193 1.00 14.01 H new ATOM 0 HA3 GLY A 64 9.243 -0.303 -10.737 1.00 14.01 H new ATOM 926 N VAL A 65 9.657 -0.945 -7.600 1.00 22.05 N ATOM 927 CA VAL A 65 10.532 -1.549 -6.635 1.00 43.12 C ATOM 928 C VAL A 65 9.720 -2.626 -6.029 1.00 11.52 C ATOM 929 O VAL A 65 8.654 -2.368 -5.484 1.00 14.21 O ATOM 930 CB VAL A 65 11.001 -0.605 -5.533 1.00 3.51 C ATOM 931 CG1 VAL A 65 11.861 -1.390 -4.509 1.00 41.24 C ATOM 932 CG2 VAL A 65 11.766 0.561 -6.199 1.00 13.12 C ATOM 0 H VAL A 65 9.016 -0.249 -7.220 1.00 22.05 H new ATOM 0 HA VAL A 65 11.445 -1.883 -7.129 1.00 43.12 H new ATOM 0 HB VAL A 65 10.163 -0.186 -4.976 1.00 3.51 H new ATOM 0 HG11 VAL A 65 12.196 -0.715 -3.722 1.00 41.24 H new ATOM 0 HG12 VAL A 65 11.265 -2.191 -4.071 1.00 41.24 H new ATOM 0 HG13 VAL A 65 12.728 -1.817 -5.013 1.00 41.24 H new ATOM 0 HG21 VAL A 65 12.114 1.253 -5.432 1.00 13.12 H new ATOM 0 HG22 VAL A 65 12.622 0.168 -6.748 1.00 13.12 H new ATOM 0 HG23 VAL A 65 11.103 1.085 -6.887 1.00 13.12 H new ATOM 942 N SER A 66 10.182 -3.868 -6.166 1.00 25.24 N ATOM 943 CA SER A 66 9.465 -4.989 -5.623 1.00 51.31 C ATOM 944 C SER A 66 9.565 -4.912 -4.123 1.00 32.10 C ATOM 945 O SER A 66 10.633 -5.130 -3.552 1.00 45.42 O ATOM 946 CB SER A 66 10.015 -6.341 -6.106 1.00 51.04 C ATOM 947 OG SER A 66 10.056 -6.344 -7.539 1.00 0.02 O ATOM 0 H SER A 66 11.048 -4.109 -6.649 1.00 25.24 H new ATOM 0 HA SER A 66 8.431 -4.935 -5.964 1.00 51.31 H new ATOM 0 HB2 SER A 66 11.013 -6.508 -5.701 1.00 51.04 H new ATOM 0 HB3 SER A 66 9.385 -7.154 -5.746 1.00 51.04 H new ATOM 0 HG SER A 66 10.407 -7.203 -7.854 1.00 0.02 H new ATOM 953 N LEU A 67 8.450 -4.531 -3.466 1.00 42.50 N ATOM 954 CA LEU A 67 8.446 -4.335 -2.032 1.00 43.15 C ATOM 955 C LEU A 67 8.220 -5.669 -1.379 1.00 13.21 C ATOM 956 O LEU A 67 8.510 -5.847 -0.217 1.00 71.02 O ATOM 957 CB LEU A 67 7.337 -3.352 -1.554 1.00 61.43 C ATOM 958 CG LEU A 67 7.860 -2.205 -0.651 1.00 64.20 C ATOM 959 CD1 LEU A 67 8.356 -2.694 0.713 1.00 73.14 C ATOM 960 CD2 LEU A 67 8.900 -1.312 -1.350 1.00 21.31 C ATOM 0 H LEU A 67 7.552 -4.358 -3.918 1.00 42.50 H new ATOM 0 HA LEU A 67 9.405 -3.898 -1.754 1.00 43.15 H new ATOM 0 HB2 LEU A 67 6.848 -2.920 -2.427 1.00 61.43 H new ATOM 0 HB3 LEU A 67 6.578 -3.913 -1.009 1.00 61.43 H new ATOM 0 HG LEU A 67 6.990 -1.577 -0.459 1.00 64.20 H new ATOM 0 HD11 LEU A 67 8.709 -1.845 1.298 1.00 73.14 H new ATOM 0 HD12 LEU A 67 7.539 -3.185 1.242 1.00 73.14 H new ATOM 0 HD13 LEU A 67 9.173 -3.401 0.571 1.00 73.14 H new ATOM 0 HD21 LEU A 67 9.226 -0.529 -0.665 1.00 21.31 H new ATOM 0 HD22 LEU A 67 9.758 -1.916 -1.646 1.00 21.31 H new ATOM 0 HD23 LEU A 67 8.454 -0.858 -2.235 1.00 21.31 H new ATOM 972 N GLU A 68 7.706 -6.656 -2.146 1.00 23.23 N ATOM 973 CA GLU A 68 7.522 -8.000 -1.623 1.00 13.40 C ATOM 974 C GLU A 68 8.876 -8.553 -1.204 1.00 41.14 C ATOM 975 O GLU A 68 9.920 -8.187 -1.762 1.00 15.24 O ATOM 976 CB GLU A 68 6.808 -8.998 -2.564 1.00 34.43 C ATOM 977 CG GLU A 68 7.472 -9.170 -3.939 1.00 3.01 C ATOM 978 CD GLU A 68 6.722 -10.245 -4.701 1.00 72.14 C ATOM 979 OE1 GLU A 68 5.713 -10.783 -4.174 1.00 71.10 O ATOM 980 OE2 GLU A 68 7.143 -10.584 -5.817 1.00 22.23 O ATOM 0 H GLU A 68 7.418 -6.535 -3.117 1.00 23.23 H new ATOM 0 HA GLU A 68 6.844 -7.897 -0.776 1.00 13.40 H new ATOM 0 HB2 GLU A 68 6.762 -9.970 -2.073 1.00 34.43 H new ATOM 0 HB3 GLU A 68 5.780 -8.666 -2.711 1.00 34.43 H new ATOM 0 HG2 GLU A 68 7.452 -8.230 -4.490 1.00 3.01 H new ATOM 0 HG3 GLU A 68 8.519 -9.448 -3.822 1.00 3.01 H new ATOM 987 N GLY A 69 8.875 -9.367 -0.141 1.00 74.34 N ATOM 988 CA GLY A 69 10.110 -9.849 0.446 1.00 12.24 C ATOM 989 C GLY A 69 10.525 -8.932 1.562 1.00 74.44 C ATOM 990 O GLY A 69 11.113 -9.380 2.551 1.00 72.03 O ATOM 0 H GLY A 69 8.029 -9.699 0.322 1.00 74.34 H new ATOM 0 HA2 GLY A 69 9.974 -10.862 0.825 1.00 12.24 H new ATOM 0 HA3 GLY A 69 10.892 -9.894 -0.312 1.00 12.24 H new ATOM 994 N ALA A 70 10.268 -7.605 1.420 1.00 62.00 N ATOM 995 CA ALA A 70 10.686 -6.651 2.438 1.00 52.43 C ATOM 996 C ALA A 70 9.833 -6.854 3.650 1.00 21.31 C ATOM 997 O ALA A 70 8.744 -7.383 3.566 1.00 34.35 O ATOM 998 CB ALA A 70 10.553 -5.180 2.018 1.00 34.41 C ATOM 0 H ALA A 70 9.783 -7.194 0.622 1.00 62.00 H new ATOM 0 HA ALA A 70 11.744 -6.838 2.620 1.00 52.43 H new ATOM 0 HB1 ALA A 70 10.885 -4.537 2.833 1.00 34.41 H new ATOM 0 HB2 ALA A 70 11.168 -4.996 1.137 1.00 34.41 H new ATOM 0 HB3 ALA A 70 9.511 -4.961 1.785 1.00 34.41 H new ATOM 1004 N THR A 71 10.345 -6.452 4.811 1.00 54.13 N ATOM 1005 CA THR A 71 9.645 -6.658 6.050 1.00 70.34 C ATOM 1006 C THR A 71 8.510 -5.650 6.146 1.00 21.02 C ATOM 1007 O THR A 71 8.449 -4.672 5.389 1.00 62.14 O ATOM 1008 CB THR A 71 10.557 -6.526 7.255 1.00 73.33 C ATOM 1009 OG1 THR A 71 11.307 -5.300 7.193 1.00 41.20 O ATOM 1010 CG2 THR A 71 11.528 -7.722 7.237 1.00 13.13 C ATOM 0 H THR A 71 11.245 -5.982 4.906 1.00 54.13 H new ATOM 0 HA THR A 71 9.255 -7.676 6.055 1.00 70.34 H new ATOM 0 HB THR A 71 9.964 -6.514 8.170 1.00 73.33 H new ATOM 0 HG1 THR A 71 11.888 -5.232 7.979 1.00 41.20 H new ATOM 0 HG21 THR A 71 12.200 -7.658 8.093 1.00 13.13 H new ATOM 0 HG22 THR A 71 10.961 -8.652 7.290 1.00 13.13 H new ATOM 0 HG23 THR A 71 12.111 -7.704 6.316 1.00 13.13 H new ATOM 1018 N HIS A 72 7.575 -5.889 7.105 1.00 75.32 N ATOM 1019 CA HIS A 72 6.429 -5.011 7.271 1.00 11.10 C ATOM 1020 C HIS A 72 6.927 -3.669 7.725 1.00 72.00 C ATOM 1021 O HIS A 72 6.473 -2.645 7.248 1.00 62.25 O ATOM 1022 CB HIS A 72 5.335 -5.533 8.244 1.00 42.44 C ATOM 1023 CG HIS A 72 5.752 -5.696 9.683 1.00 53.14 C ATOM 1024 ND1 HIS A 72 5.526 -4.732 10.625 1.00 13.04 N ATOM 1025 CD2 HIS A 72 6.308 -6.745 10.310 1.00 23.12 C ATOM 1026 CE1 HIS A 72 5.948 -5.190 11.798 1.00 63.04 C ATOM 1027 NE2 HIS A 72 6.425 -6.414 11.626 1.00 0.42 N ATOM 0 H HIS A 72 7.608 -6.674 7.755 1.00 75.32 H new ATOM 0 HA HIS A 72 5.933 -4.956 6.302 1.00 11.10 H new ATOM 0 HB2 HIS A 72 4.488 -4.848 8.208 1.00 42.44 H new ATOM 0 HB3 HIS A 72 4.981 -6.497 7.878 1.00 42.44 H new ATOM 0 HD2 HIS A 72 6.607 -7.678 9.855 1.00 23.12 H new ATOM 0 HE1 HIS A 72 5.909 -4.654 12.735 1.00 63.04 H new ATOM 0 HE2 HIS A 72 6.815 -7.009 12.357 1.00 0.42 H new ATOM 1036 N LYS A 73 7.936 -3.665 8.637 1.00 2.04 N ATOM 1037 CA LYS A 73 8.583 -2.428 9.071 1.00 44.23 C ATOM 1038 C LYS A 73 9.089 -1.658 7.879 1.00 23.10 C ATOM 1039 O LYS A 73 8.845 -0.464 7.775 1.00 35.13 O ATOM 1040 CB LYS A 73 9.784 -2.672 10.005 1.00 71.41 C ATOM 1041 CG LYS A 73 9.380 -3.208 11.377 1.00 42.11 C ATOM 1042 CD LYS A 73 8.691 -2.161 12.263 1.00 40.43 C ATOM 1043 CE LYS A 73 8.259 -2.704 13.636 1.00 71.11 C ATOM 1044 NZ LYS A 73 9.368 -3.430 14.297 1.00 34.44 N ATOM 0 H LYS A 73 8.307 -4.508 9.076 1.00 2.04 H new ATOM 0 HA LYS A 73 7.822 -1.870 9.616 1.00 44.23 H new ATOM 0 HB2 LYS A 73 10.466 -3.379 9.532 1.00 71.41 H new ATOM 0 HB3 LYS A 73 10.332 -1.738 10.134 1.00 71.41 H new ATOM 0 HG2 LYS A 73 8.710 -4.058 11.244 1.00 42.11 H new ATOM 0 HG3 LYS A 73 10.268 -3.579 11.889 1.00 42.11 H new ATOM 0 HD2 LYS A 73 9.369 -1.320 12.411 1.00 40.43 H new ATOM 0 HD3 LYS A 73 7.815 -1.776 11.742 1.00 40.43 H new ATOM 0 HE2 LYS A 73 7.932 -1.880 14.270 1.00 71.11 H new ATOM 0 HE3 LYS A 73 7.405 -3.371 13.514 1.00 71.11 H new ATOM 0 HZ1 LYS A 73 9.115 -3.623 15.287 1.00 34.44 H new ATOM 0 HZ2 LYS A 73 9.538 -4.329 13.802 1.00 34.44 H new ATOM 0 HZ3 LYS A 73 10.230 -2.849 14.266 1.00 34.44 H new ATOM 1058 N GLN A 74 9.807 -2.322 6.939 1.00 31.42 N ATOM 1059 CA GLN A 74 10.404 -1.612 5.820 1.00 62.44 C ATOM 1060 C GLN A 74 9.309 -1.081 4.939 1.00 33.55 C ATOM 1061 O GLN A 74 9.439 -0.013 4.385 1.00 52.34 O ATOM 1062 CB GLN A 74 11.339 -2.510 4.962 1.00 33.23 C ATOM 1063 CG GLN A 74 12.809 -2.063 4.992 1.00 4.22 C ATOM 1064 CD GLN A 74 12.934 -0.800 4.146 1.00 44.02 C ATOM 1065 OE1 GLN A 74 12.836 -0.859 2.916 1.00 42.43 O ATOM 1066 NE2 GLN A 74 13.149 0.357 4.782 1.00 75.40 N ATOM 0 H GLN A 74 9.975 -3.328 6.946 1.00 31.42 H new ATOM 0 HA GLN A 74 11.011 -0.808 6.236 1.00 62.44 H new ATOM 0 HB2 GLN A 74 11.272 -3.538 5.319 1.00 33.23 H new ATOM 0 HB3 GLN A 74 10.987 -2.507 3.930 1.00 33.23 H new ATOM 0 HG2 GLN A 74 13.128 -1.869 6.016 1.00 4.22 H new ATOM 0 HG3 GLN A 74 13.455 -2.849 4.601 1.00 4.22 H new ATOM 0 HE21 GLN A 74 13.225 0.373 5.799 1.00 75.40 H new ATOM 0 HE22 GLN A 74 13.237 1.223 4.250 1.00 75.40 H new ATOM 1075 N ALA A 75 8.195 -1.821 4.816 1.00 40.13 N ATOM 1076 CA ALA A 75 7.060 -1.389 3.996 1.00 70.44 C ATOM 1077 C ALA A 75 6.541 -0.054 4.520 1.00 71.04 C ATOM 1078 O ALA A 75 6.219 0.841 3.742 1.00 11.13 O ATOM 1079 CB ALA A 75 5.904 -2.404 3.996 1.00 41.23 C ATOM 0 H ALA A 75 8.060 -2.721 5.276 1.00 40.13 H new ATOM 0 HA ALA A 75 7.420 -1.299 2.971 1.00 70.44 H new ATOM 0 HB1 ALA A 75 5.092 -2.030 3.372 1.00 41.23 H new ATOM 0 HB2 ALA A 75 6.256 -3.357 3.601 1.00 41.23 H new ATOM 0 HB3 ALA A 75 5.544 -2.545 5.015 1.00 41.23 H new ATOM 1085 N VAL A 76 6.493 0.112 5.863 1.00 42.22 N ATOM 1086 CA VAL A 76 6.017 1.360 6.458 1.00 14.44 C ATOM 1087 C VAL A 76 7.066 2.430 6.187 1.00 34.44 C ATOM 1088 O VAL A 76 6.753 3.490 5.639 1.00 41.55 O ATOM 1089 CB VAL A 76 5.800 1.262 7.973 1.00 1.12 C ATOM 1090 CG1 VAL A 76 5.339 2.638 8.525 1.00 41.42 C ATOM 1091 CG2 VAL A 76 4.775 0.147 8.245 1.00 70.03 C ATOM 0 H VAL A 76 6.776 -0.599 6.538 1.00 42.22 H new ATOM 0 HA VAL A 76 5.051 1.598 6.012 1.00 14.44 H new ATOM 0 HB VAL A 76 6.727 1.008 8.487 1.00 1.12 H new ATOM 0 HG11 VAL A 76 5.186 2.565 9.602 1.00 41.42 H new ATOM 0 HG12 VAL A 76 6.102 3.388 8.317 1.00 41.42 H new ATOM 0 HG13 VAL A 76 4.405 2.928 8.044 1.00 41.42 H new ATOM 0 HG21 VAL A 76 4.607 0.061 9.319 1.00 70.03 H new ATOM 0 HG22 VAL A 76 3.835 0.388 7.748 1.00 70.03 H new ATOM 0 HG23 VAL A 76 5.156 -0.799 7.861 1.00 70.03 H new ATOM 1101 N CYS A 77 8.348 2.150 6.596 1.00 41.32 N ATOM 1102 CA CYS A 77 9.454 3.185 6.470 1.00 44.22 C ATOM 1103 C CYS A 77 9.536 3.622 4.991 1.00 52.21 C ATOM 1104 O CYS A 77 10.116 4.615 4.663 1.00 75.54 O ATOM 1105 CB CYS A 77 10.859 2.697 6.952 1.00 32.11 C ATOM 1106 SG CYS A 77 11.204 3.110 8.721 1.00 44.04 S ATOM 0 H CYS A 77 8.641 1.260 6.999 1.00 41.32 H new ATOM 0 HA CYS A 77 9.193 4.012 7.130 1.00 44.22 H new ATOM 0 HB2 CYS A 77 10.928 1.618 6.817 1.00 32.11 H new ATOM 0 HB3 CYS A 77 11.628 3.146 6.324 1.00 32.11 H new ATOM 1111 N THR A 78 9.125 2.731 4.064 1.00 54.34 N ATOM 1112 CA THR A 78 9.231 3.030 2.646 1.00 71.43 C ATOM 1113 C THR A 78 8.311 4.197 2.370 1.00 1.24 C ATOM 1114 O THR A 78 8.746 5.217 1.886 1.00 24.44 O ATOM 1115 CB THR A 78 8.881 1.862 1.725 1.00 73.14 C ATOM 1116 OG1 THR A 78 9.817 0.799 1.925 1.00 12.22 O ATOM 1117 CG2 THR A 78 8.964 2.333 0.244 1.00 62.54 C ATOM 0 H THR A 78 8.725 1.818 4.280 1.00 54.34 H new ATOM 0 HA THR A 78 10.275 3.257 2.428 1.00 71.43 H new ATOM 0 HB THR A 78 7.873 1.514 1.950 1.00 73.14 H new ATOM 0 HG1 THR A 78 9.887 0.601 2.882 1.00 12.22 H new ATOM 0 HG21 THR A 78 8.715 1.502 -0.416 1.00 62.54 H new ATOM 0 HG22 THR A 78 8.260 3.149 0.082 1.00 62.54 H new ATOM 0 HG23 THR A 78 9.975 2.678 0.028 1.00 62.54 H new ATOM 1125 N LEU A 79 7.015 4.069 2.742 1.00 44.04 N ATOM 1126 CA LEU A 79 6.035 5.135 2.519 1.00 25.32 C ATOM 1127 C LEU A 79 6.552 6.408 3.164 1.00 74.22 C ATOM 1128 O LEU A 79 6.713 7.421 2.503 1.00 2.40 O ATOM 1129 CB LEU A 79 4.641 4.804 3.104 1.00 44.14 C ATOM 1130 CG LEU A 79 4.027 3.502 2.522 1.00 3.54 C ATOM 1131 CD1 LEU A 79 2.707 3.117 3.210 1.00 72.42 C ATOM 1132 CD2 LEU A 79 3.895 3.529 0.978 1.00 5.43 C ATOM 0 H LEU A 79 6.635 3.238 3.195 1.00 44.04 H new ATOM 0 HA LEU A 79 5.912 5.251 1.442 1.00 25.32 H new ATOM 0 HB2 LEU A 79 4.722 4.707 4.187 1.00 44.14 H new ATOM 0 HB3 LEU A 79 3.965 5.636 2.908 1.00 44.14 H new ATOM 0 HG LEU A 79 4.743 2.712 2.749 1.00 3.54 H new ATOM 0 HD11 LEU A 79 2.319 2.200 2.766 1.00 72.42 H new ATOM 0 HD12 LEU A 79 2.884 2.959 4.274 1.00 72.42 H new ATOM 0 HD13 LEU A 79 1.981 3.919 3.078 1.00 72.42 H new ATOM 0 HD21 LEU A 79 3.460 2.591 0.634 1.00 5.43 H new ATOM 0 HD22 LEU A 79 3.252 4.358 0.682 1.00 5.43 H new ATOM 0 HD23 LEU A 79 4.881 3.657 0.531 1.00 5.43 H new ATOM 1144 N ARG A 80 6.856 6.334 4.466 1.00 64.11 N ATOM 1145 CA ARG A 80 7.473 7.456 5.199 1.00 61.24 C ATOM 1146 C ARG A 80 8.644 8.086 4.415 1.00 64.21 C ATOM 1147 O ARG A 80 8.704 9.313 4.297 1.00 74.22 O ATOM 1148 CB ARG A 80 8.007 7.048 6.590 1.00 71.22 C ATOM 1149 CG ARG A 80 6.918 6.485 7.525 1.00 20.20 C ATOM 1150 CD ARG A 80 7.467 6.001 8.881 1.00 23.43 C ATOM 1151 NE ARG A 80 8.198 7.148 9.533 1.00 71.43 N ATOM 1152 CZ ARG A 80 7.644 7.889 10.578 1.00 51.55 C ATOM 1153 NH1 ARG A 80 6.376 7.627 11.030 1.00 13.14 N ATOM 1154 NH2 ARG A 80 8.368 8.887 11.156 1.00 32.34 N ATOM 0 H ARG A 80 6.685 5.507 5.039 1.00 64.11 H new ATOM 0 HA ARG A 80 6.667 8.180 5.321 1.00 61.24 H new ATOM 0 HB2 ARG A 80 8.790 6.300 6.465 1.00 71.22 H new ATOM 0 HB3 ARG A 80 8.468 7.916 7.063 1.00 71.22 H new ATOM 0 HG2 ARG A 80 6.166 7.254 7.700 1.00 20.20 H new ATOM 0 HG3 ARG A 80 6.416 5.655 7.028 1.00 20.20 H new ATOM 0 HD2 ARG A 80 6.653 5.658 9.519 1.00 23.43 H new ATOM 0 HD3 ARG A 80 8.139 5.155 8.738 1.00 23.43 H new ATOM 0 HE ARG A 80 9.130 7.391 9.198 1.00 71.43 H new ATOM 0 HH11 ARG A 80 5.825 6.883 10.602 1.00 13.14 H new ATOM 0 HH12 ARG A 80 5.983 8.176 11.795 1.00 13.14 H new ATOM 0 HH21 ARG A 80 9.311 9.090 10.825 1.00 32.34 H new ATOM 0 HH22 ARG A 80 7.967 9.431 11.920 1.00 32.34 H new ATOM 1168 N ASN A 81 9.575 7.280 3.866 1.00 61.04 N ATOM 1169 CA ASN A 81 10.785 7.846 3.228 1.00 74.54 C ATOM 1170 C ASN A 81 10.535 8.164 1.754 1.00 61.25 C ATOM 1171 O ASN A 81 11.454 8.625 1.074 1.00 52.33 O ATOM 1172 CB ASN A 81 12.034 6.902 3.267 1.00 35.31 C ATOM 1173 CG ASN A 81 12.512 6.690 4.712 1.00 15.13 C ATOM 1174 OD1 ASN A 81 12.575 7.771 5.518 1.00 50.24 O flip ATOM 1175 ND2 ASN A 81 12.839 5.567 5.110 1.00 72.33 N flip ATOM 0 H ASN A 81 9.518 6.262 3.849 1.00 61.04 H new ATOM 0 HA ASN A 81 10.996 8.741 3.814 1.00 74.54 H new ATOM 0 HB2 ASN A 81 11.784 5.941 2.817 1.00 35.31 H new ATOM 0 HB3 ASN A 81 12.840 7.332 2.672 1.00 35.31 H new ATOM 0 HD21 ASN A 81 12.782 4.766 4.481 1.00 72.33 H new ATOM 0 HD22 ASN A 81 13.166 5.441 6.068 1.00 72.33 H new ATOM 1182 N THR A 82 9.316 7.939 1.212 1.00 21.23 N ATOM 1183 CA THR A 82 9.095 8.223 -0.226 1.00 50.32 C ATOM 1184 C THR A 82 8.875 9.719 -0.391 1.00 42.34 C ATOM 1185 O THR A 82 8.832 10.467 0.583 1.00 21.01 O ATOM 1186 CB THR A 82 7.946 7.462 -0.888 1.00 42.30 C ATOM 1187 OG1 THR A 82 6.765 7.482 -0.080 1.00 35.12 O ATOM 1188 CG2 THR A 82 8.380 6.018 -1.201 1.00 5.21 C ATOM 0 H THR A 82 8.506 7.580 1.718 1.00 21.23 H new ATOM 0 HA THR A 82 9.990 7.871 -0.739 1.00 50.32 H new ATOM 0 HB THR A 82 7.701 7.964 -1.824 1.00 42.30 H new ATOM 0 HG1 THR A 82 6.966 7.106 0.803 1.00 35.12 H new ATOM 0 HG21 THR A 82 7.555 5.484 -1.672 1.00 5.21 H new ATOM 0 HG22 THR A 82 9.235 6.033 -1.877 1.00 5.21 H new ATOM 0 HG23 THR A 82 8.658 5.513 -0.276 1.00 5.21 H new ATOM 1196 N GLY A 83 8.775 10.173 -1.655 1.00 71.30 N ATOM 1197 CA GLY A 83 8.688 11.582 -1.952 1.00 33.02 C ATOM 1198 C GLY A 83 7.262 12.017 -1.917 1.00 60.23 C ATOM 1199 O GLY A 83 6.410 11.401 -1.260 1.00 64.42 O ATOM 0 H GLY A 83 8.754 9.568 -2.476 1.00 71.30 H new ATOM 0 HA2 GLY A 83 9.270 12.152 -1.228 1.00 33.02 H new ATOM 0 HA3 GLY A 83 9.115 11.783 -2.934 1.00 33.02 H new ATOM 1203 N GLN A 84 6.982 13.131 -2.626 1.00 63.42 N ATOM 1204 CA GLN A 84 5.706 13.778 -2.581 1.00 12.14 C ATOM 1205 C GLN A 84 4.771 12.993 -3.427 1.00 12.10 C ATOM 1206 O GLN A 84 3.647 12.744 -3.038 1.00 41.30 O ATOM 1207 CB GLN A 84 5.751 15.214 -3.154 1.00 31.31 C ATOM 1208 CG GLN A 84 4.399 15.947 -3.087 1.00 1.53 C ATOM 1209 CD GLN A 84 4.540 17.270 -3.808 1.00 72.23 C ATOM 1210 OE1 GLN A 84 3.924 17.484 -4.847 1.00 14.02 O ATOM 1211 NE2 GLN A 84 5.354 18.169 -3.266 1.00 71.42 N ATOM 0 H GLN A 84 7.655 13.589 -3.241 1.00 63.42 H new ATOM 0 HA GLN A 84 5.394 13.834 -1.538 1.00 12.14 H new ATOM 0 HB2 GLN A 84 6.495 15.792 -2.606 1.00 31.31 H new ATOM 0 HB3 GLN A 84 6.081 15.172 -4.192 1.00 31.31 H new ATOM 0 HG2 GLN A 84 3.617 15.344 -3.549 1.00 1.53 H new ATOM 0 HG3 GLN A 84 4.106 16.109 -2.050 1.00 1.53 H new ATOM 0 HE21 GLN A 84 5.849 17.953 -2.401 1.00 71.42 H new ATOM 0 HE22 GLN A 84 5.484 19.075 -3.715 1.00 71.42 H new ATOM 1220 N VAL A 85 5.222 12.587 -4.617 1.00 31.23 N ATOM 1221 CA VAL A 85 4.387 11.818 -5.487 1.00 64.43 C ATOM 1222 C VAL A 85 5.042 10.492 -5.527 1.00 55.13 C ATOM 1223 O VAL A 85 6.249 10.408 -5.741 1.00 63.53 O ATOM 1224 CB VAL A 85 4.283 12.377 -6.901 1.00 34.43 C ATOM 1225 CG1 VAL A 85 3.311 11.490 -7.733 1.00 72.21 C ATOM 1226 CG2 VAL A 85 3.814 13.846 -6.799 1.00 62.53 C ATOM 0 H VAL A 85 6.154 12.785 -4.980 1.00 31.23 H new ATOM 0 HA VAL A 85 3.362 11.809 -5.116 1.00 64.43 H new ATOM 0 HB VAL A 85 5.244 12.361 -7.415 1.00 34.43 H new ATOM 0 HG11 VAL A 85 3.233 11.886 -8.745 1.00 72.21 H new ATOM 0 HG12 VAL A 85 3.692 10.469 -7.771 1.00 72.21 H new ATOM 0 HG13 VAL A 85 2.326 11.493 -7.266 1.00 72.21 H new ATOM 0 HG21 VAL A 85 3.731 14.272 -7.799 1.00 62.53 H new ATOM 0 HG22 VAL A 85 2.842 13.884 -6.306 1.00 62.53 H new ATOM 0 HG23 VAL A 85 4.537 14.420 -6.220 1.00 62.53 H new ATOM 1236 N VAL A 86 4.287 9.430 -5.258 1.00 53.25 N ATOM 1237 CA VAL A 86 4.862 8.131 -5.186 1.00 1.51 C ATOM 1238 C VAL A 86 4.076 7.314 -6.131 1.00 63.41 C ATOM 1239 O VAL A 86 2.870 7.498 -6.250 1.00 74.02 O ATOM 1240 CB VAL A 86 4.728 7.519 -3.799 1.00 3.52 C ATOM 1241 CG1 VAL A 86 5.549 6.208 -3.722 1.00 71.33 C ATOM 1242 CG2 VAL A 86 5.189 8.572 -2.784 1.00 35.14 C ATOM 0 H VAL A 86 3.282 9.464 -5.090 1.00 53.25 H new ATOM 0 HA VAL A 86 5.927 8.175 -5.415 1.00 1.51 H new ATOM 0 HB VAL A 86 3.697 7.247 -3.575 1.00 3.52 H new ATOM 0 HG11 VAL A 86 5.449 5.774 -2.727 1.00 71.33 H new ATOM 0 HG12 VAL A 86 5.177 5.502 -4.465 1.00 71.33 H new ATOM 0 HG13 VAL A 86 6.599 6.424 -3.920 1.00 71.33 H new ATOM 0 HG21 VAL A 86 5.106 8.166 -1.776 1.00 35.14 H new ATOM 0 HG22 VAL A 86 6.227 8.840 -2.983 1.00 35.14 H new ATOM 0 HG23 VAL A 86 4.562 9.460 -2.871 1.00 35.14 H new ATOM 1252 N HIS A 87 4.734 6.392 -6.817 1.00 2.41 N ATOM 1253 CA HIS A 87 4.044 5.485 -7.674 1.00 51.51 C ATOM 1254 C HIS A 87 3.915 4.241 -6.894 1.00 23.34 C ATOM 1255 O HIS A 87 4.896 3.659 -6.488 1.00 63.55 O ATOM 1256 CB HIS A 87 4.785 5.181 -8.989 1.00 12.10 C ATOM 1257 CG HIS A 87 4.624 6.302 -9.965 1.00 45.43 C ATOM 1258 ND1 HIS A 87 5.477 7.272 -10.333 1.00 42.02 N flip ATOM 1259 CD2 HIS A 87 3.431 6.546 -10.584 1.00 51.13 C flip ATOM 1260 CE1 HIS A 87 4.795 8.098 -11.184 1.00 11.42 C flip ATOM 1261 NE2 HIS A 87 3.558 7.638 -11.323 1.00 32.34 N flip ATOM 0 H HIS A 87 5.746 6.265 -6.786 1.00 2.41 H new ATOM 0 HA HIS A 87 3.092 5.924 -7.973 1.00 51.51 H new ATOM 0 HB2 HIS A 87 5.844 5.020 -8.785 1.00 12.10 H new ATOM 0 HB3 HIS A 87 4.400 4.258 -9.423 1.00 12.10 H new ATOM 0 HD2 HIS A 87 2.536 5.950 -10.487 1.00 51.13 H new ATOM 0 HE1 HIS A 87 5.197 8.979 -11.663 1.00 11.42 H new ATOM 0 HE2 HIS A 87 2.828 8.055 -11.901 1.00 32.34 H new ATOM 1270 N LEU A 88 2.681 3.844 -6.629 1.00 1.40 N ATOM 1271 CA LEU A 88 2.420 2.660 -5.873 1.00 15.45 C ATOM 1272 C LEU A 88 1.747 1.740 -6.819 1.00 10.03 C ATOM 1273 O LEU A 88 0.929 2.170 -7.642 1.00 24.00 O ATOM 1274 CB LEU A 88 1.493 2.893 -4.653 1.00 35.42 C ATOM 1275 CG LEU A 88 2.098 3.859 -3.601 1.00 55.31 C ATOM 1276 CD1 LEU A 88 1.064 4.321 -2.567 1.00 52.04 C ATOM 1277 CD2 LEU A 88 3.377 3.301 -2.944 1.00 31.31 C ATOM 0 H LEU A 88 1.845 4.340 -6.937 1.00 1.40 H new ATOM 0 HA LEU A 88 3.354 2.275 -5.464 1.00 15.45 H new ATOM 0 HB2 LEU A 88 0.541 3.294 -5.000 1.00 35.42 H new ATOM 0 HB3 LEU A 88 1.281 1.935 -4.178 1.00 35.42 H new ATOM 0 HG LEU A 88 2.404 4.749 -4.151 1.00 55.31 H new ATOM 0 HD11 LEU A 88 1.539 4.995 -1.854 1.00 52.04 H new ATOM 0 HD12 LEU A 88 0.251 4.842 -3.073 1.00 52.04 H new ATOM 0 HD13 LEU A 88 0.666 3.455 -2.038 1.00 52.04 H new ATOM 0 HD21 LEU A 88 3.756 4.019 -2.217 1.00 31.31 H new ATOM 0 HD22 LEU A 88 3.147 2.362 -2.441 1.00 31.31 H new ATOM 0 HD23 LEU A 88 4.133 3.127 -3.710 1.00 31.31 H new ATOM 1289 N LEU A 89 2.104 0.465 -6.761 1.00 13.50 N ATOM 1290 CA LEU A 89 1.510 -0.501 -7.629 1.00 1.23 C ATOM 1291 C LEU A 89 0.787 -1.414 -6.720 1.00 3.45 C ATOM 1292 O LEU A 89 1.377 -1.938 -5.762 1.00 21.24 O ATOM 1293 CB LEU A 89 2.548 -1.302 -8.436 1.00 40.13 C ATOM 1294 CG LEU A 89 1.962 -2.194 -9.545 1.00 54.12 C ATOM 1295 CD1 LEU A 89 1.024 -1.429 -10.481 1.00 42.44 C ATOM 1296 CD2 LEU A 89 3.061 -2.916 -10.328 1.00 42.52 C ATOM 0 H LEU A 89 2.802 0.091 -6.118 1.00 13.50 H new ATOM 0 HA LEU A 89 0.875 -0.013 -8.368 1.00 1.23 H new ATOM 0 HB2 LEU A 89 3.253 -0.604 -8.887 1.00 40.13 H new ATOM 0 HB3 LEU A 89 3.116 -1.929 -7.748 1.00 40.13 H new ATOM 0 HG LEU A 89 1.358 -2.950 -9.044 1.00 54.12 H new ATOM 0 HD11 LEU A 89 0.640 -2.106 -11.244 1.00 42.44 H new ATOM 0 HD12 LEU A 89 0.193 -1.019 -9.908 1.00 42.44 H new ATOM 0 HD13 LEU A 89 1.571 -0.616 -10.959 1.00 42.44 H new ATOM 0 HD21 LEU A 89 2.609 -3.536 -11.102 1.00 42.52 H new ATOM 0 HD22 LEU A 89 3.721 -2.182 -10.790 1.00 42.52 H new ATOM 0 HD23 LEU A 89 3.637 -3.545 -9.650 1.00 42.52 H new ATOM 1308 N LEU A 90 -0.515 -1.580 -6.947 1.00 31.44 N ATOM 1309 CA LEU A 90 -1.324 -2.287 -6.013 1.00 4.10 C ATOM 1310 C LEU A 90 -2.111 -3.266 -6.774 1.00 55.23 C ATOM 1311 O LEU A 90 -2.292 -3.138 -7.979 1.00 3.23 O ATOM 1312 CB LEU A 90 -2.318 -1.405 -5.225 1.00 63.34 C ATOM 1313 CG LEU A 90 -1.657 -0.367 -4.305 1.00 44.43 C ATOM 1314 CD1 LEU A 90 -1.476 0.997 -4.982 1.00 54.22 C ATOM 1315 CD2 LEU A 90 -2.376 -0.261 -2.956 1.00 52.12 C ATOM 0 H LEU A 90 -1.009 -1.230 -7.768 1.00 31.44 H new ATOM 0 HA LEU A 90 -0.650 -2.730 -5.280 1.00 4.10 H new ATOM 0 HB2 LEU A 90 -2.964 -0.886 -5.933 1.00 63.34 H new ATOM 0 HB3 LEU A 90 -2.958 -2.050 -4.623 1.00 63.34 H new ATOM 0 HG LEU A 90 -0.651 -0.732 -4.099 1.00 44.43 H new ATOM 0 HD11 LEU A 90 -1.005 1.690 -4.285 1.00 54.22 H new ATOM 0 HD12 LEU A 90 -0.845 0.885 -5.864 1.00 54.22 H new ATOM 0 HD13 LEU A 90 -2.449 1.388 -5.279 1.00 54.22 H new ATOM 0 HD21 LEU A 90 -1.877 0.483 -2.335 1.00 52.12 H new ATOM 0 HD22 LEU A 90 -3.412 0.037 -3.118 1.00 52.12 H new ATOM 0 HD23 LEU A 90 -2.351 -1.228 -2.453 1.00 52.12 H new ATOM 1327 N GLU A 91 -2.593 -4.286 -6.080 1.00 61.33 N ATOM 1328 CA GLU A 91 -3.438 -5.252 -6.669 1.00 62.41 C ATOM 1329 C GLU A 91 -4.656 -5.222 -5.831 1.00 31.21 C ATOM 1330 O GLU A 91 -4.574 -5.152 -4.596 1.00 34.12 O ATOM 1331 CB GLU A 91 -2.851 -6.681 -6.627 1.00 44.35 C ATOM 1332 CG GLU A 91 -3.748 -7.751 -7.271 1.00 4.34 C ATOM 1333 CD GLU A 91 -3.126 -9.101 -7.027 1.00 74.03 C ATOM 1334 OE1 GLU A 91 -2.009 -9.154 -6.472 1.00 4.21 O ATOM 1335 OE2 GLU A 91 -3.781 -10.121 -7.332 1.00 71.41 O ATOM 0 H GLU A 91 -2.395 -4.446 -5.092 1.00 61.33 H new ATOM 0 HA GLU A 91 -3.599 -5.022 -7.722 1.00 62.41 H new ATOM 0 HB2 GLU A 91 -1.886 -6.680 -7.133 1.00 44.35 H new ATOM 0 HB3 GLU A 91 -2.666 -6.955 -5.588 1.00 44.35 H new ATOM 0 HG2 GLU A 91 -4.750 -7.712 -6.845 1.00 4.34 H new ATOM 0 HG3 GLU A 91 -3.849 -7.568 -8.341 1.00 4.34 H new ATOM 1342 N LYS A 92 -5.829 -5.212 -6.486 1.00 2.13 N ATOM 1343 CA LYS A 92 -7.098 -5.231 -5.803 1.00 33.42 C ATOM 1344 C LYS A 92 -7.166 -6.467 -4.966 1.00 45.11 C ATOM 1345 O LYS A 92 -6.729 -7.533 -5.376 1.00 0.11 O ATOM 1346 CB LYS A 92 -8.275 -5.295 -6.776 1.00 11.34 C ATOM 1347 CG LYS A 92 -8.539 -4.004 -7.529 1.00 53.52 C ATOM 1348 CD LYS A 92 -9.739 -3.238 -6.978 1.00 55.31 C ATOM 1349 CE LYS A 92 -9.555 -2.606 -5.591 1.00 53.44 C ATOM 1350 NZ LYS A 92 -8.592 -1.488 -5.618 1.00 11.12 N ATOM 0 H LYS A 92 -5.906 -5.190 -7.503 1.00 2.13 H new ATOM 0 HA LYS A 92 -7.167 -4.316 -5.215 1.00 33.42 H new ATOM 0 HB2 LYS A 92 -8.091 -6.091 -7.498 1.00 11.34 H new ATOM 0 HB3 LYS A 92 -9.173 -5.568 -6.223 1.00 11.34 H new ATOM 0 HG2 LYS A 92 -7.654 -3.370 -7.478 1.00 53.52 H new ATOM 0 HG3 LYS A 92 -8.709 -4.230 -8.582 1.00 53.52 H new ATOM 0 HD2 LYS A 92 -9.996 -2.448 -7.684 1.00 55.31 H new ATOM 0 HD3 LYS A 92 -10.590 -3.917 -6.936 1.00 55.31 H new ATOM 0 HE2 LYS A 92 -10.517 -2.247 -5.225 1.00 53.44 H new ATOM 0 HE3 LYS A 92 -9.210 -3.365 -4.889 1.00 53.44 H new ATOM 0 HZ1 LYS A 92 -8.646 -0.962 -4.722 1.00 11.12 H new ATOM 0 HZ2 LYS A 92 -7.630 -1.862 -5.743 1.00 11.12 H new ATOM 0 HZ3 LYS A 92 -8.821 -0.851 -6.408 1.00 11.12 H new ATOM 1364 N GLY A 93 -7.762 -6.333 -3.797 1.00 2.24 N ATOM 1365 CA GLY A 93 -7.954 -7.448 -2.934 1.00 34.35 C ATOM 1366 C GLY A 93 -9.325 -7.907 -3.210 1.00 32.01 C ATOM 1367 O GLY A 93 -10.052 -7.288 -4.016 1.00 61.21 O ATOM 0 H GLY A 93 -8.119 -5.449 -3.434 1.00 2.24 H new ATOM 0 HA2 GLY A 93 -7.226 -8.234 -3.135 1.00 34.35 H new ATOM 0 HA3 GLY A 93 -7.835 -7.164 -1.888 1.00 34.35 H new ATOM 1371 N GLN A 94 -9.750 -8.984 -2.542 1.00 33.30 N ATOM 1372 CA GLN A 94 -11.098 -9.462 -2.707 1.00 42.32 C ATOM 1373 C GLN A 94 -12.006 -8.422 -2.113 1.00 11.24 C ATOM 1374 O GLN A 94 -11.609 -7.696 -1.197 1.00 2.12 O ATOM 1375 CB GLN A 94 -11.371 -10.838 -2.056 1.00 4.33 C ATOM 1376 CG GLN A 94 -11.014 -10.921 -0.563 1.00 22.10 C ATOM 1377 CD GLN A 94 -11.283 -12.353 -0.115 1.00 10.52 C ATOM 1378 OE1 GLN A 94 -10.531 -13.279 -0.460 1.00 72.41 O ATOM 1379 NE2 GLN A 94 -12.360 -12.559 0.649 1.00 23.42 N ATOM 0 H GLN A 94 -9.178 -9.525 -1.894 1.00 33.30 H new ATOM 0 HA GLN A 94 -11.276 -9.615 -3.771 1.00 42.32 H new ATOM 0 HB2 GLN A 94 -12.427 -11.080 -2.178 1.00 4.33 H new ATOM 0 HB3 GLN A 94 -10.806 -11.599 -2.594 1.00 4.33 H new ATOM 0 HG2 GLN A 94 -9.969 -10.657 -0.402 1.00 22.10 H new ATOM 0 HG3 GLN A 94 -11.613 -10.218 0.016 1.00 22.10 H new ATOM 0 HE21 GLN A 94 -12.956 -11.774 0.913 1.00 23.42 H new ATOM 0 HE22 GLN A 94 -12.586 -13.501 0.968 1.00 23.42 H new ATOM 1388 N SER A 95 -13.207 -8.267 -2.702 1.00 24.05 N ATOM 1389 CA SER A 95 -14.110 -7.190 -2.343 1.00 63.15 C ATOM 1390 C SER A 95 -14.391 -7.224 -0.836 1.00 4.21 C ATOM 1391 O SER A 95 -14.464 -8.291 -0.218 1.00 22.40 O ATOM 1392 CB SER A 95 -15.437 -7.266 -3.117 1.00 62.24 C ATOM 1393 OG SER A 95 -15.167 -7.347 -4.527 1.00 2.41 O ATOM 0 H SER A 95 -13.563 -8.885 -3.431 1.00 24.05 H new ATOM 0 HA SER A 95 -13.622 -6.253 -2.610 1.00 63.15 H new ATOM 0 HB2 SER A 95 -16.009 -8.137 -2.795 1.00 62.24 H new ATOM 0 HB3 SER A 95 -16.046 -6.388 -2.903 1.00 62.24 H new ATOM 0 HG SER A 95 -16.013 -7.397 -5.020 1.00 2.41 H new ATOM 1399 N PRO A 96 -14.456 -6.021 -0.230 1.00 71.13 N ATOM 1400 CA PRO A 96 -14.504 -5.867 1.209 1.00 21.13 C ATOM 1401 C PRO A 96 -15.796 -6.434 1.727 1.00 63.13 C ATOM 1402 O PRO A 96 -16.871 -6.049 1.226 1.00 14.43 O ATOM 1403 CB PRO A 96 -14.414 -4.344 1.450 1.00 4.53 C ATOM 1404 CG PRO A 96 -14.901 -3.717 0.127 1.00 73.03 C ATOM 1405 CD PRO A 96 -14.462 -4.729 -0.933 1.00 13.32 C ATOM 0 HA PRO A 96 -13.700 -6.393 1.725 1.00 21.13 H new ATOM 0 HB2 PRO A 96 -15.038 -4.037 2.289 1.00 4.53 H new ATOM 0 HB3 PRO A 96 -13.394 -4.038 1.683 1.00 4.53 H new ATOM 0 HG2 PRO A 96 -15.982 -3.576 0.124 1.00 73.03 H new ATOM 0 HG3 PRO A 96 -14.452 -2.738 -0.042 1.00 73.03 H new ATOM 0 HD2 PRO A 96 -15.149 -4.741 -1.779 1.00 13.32 H new ATOM 0 HD3 PRO A 96 -13.475 -4.487 -1.328 1.00 13.32 H new ATOM 1413 N THR A 97 -15.704 -7.314 2.722 1.00 73.24 N ATOM 1414 CA THR A 97 -16.853 -7.847 3.351 1.00 1.35 C ATOM 1415 C THR A 97 -16.663 -7.517 4.842 1.00 73.25 C ATOM 1416 O THR A 97 -17.138 -6.447 5.274 1.00 30.11 O ATOM 1417 CB THR A 97 -17.001 -9.343 3.168 1.00 11.42 C ATOM 1418 OG1 THR A 97 -15.742 -10.001 3.376 1.00 62.25 O ATOM 1419 CG2 THR A 97 -17.485 -9.594 1.729 1.00 12.33 C ATOM 0 H THR A 97 -14.820 -7.661 3.095 1.00 73.24 H new ATOM 0 HA THR A 97 -17.757 -7.420 2.916 1.00 1.35 H new ATOM 0 HB THR A 97 -17.714 -9.739 3.891 1.00 11.42 H new ATOM 0 HG1 THR A 97 -15.854 -10.967 3.256 1.00 62.25 H new ATOM 0 HG21 THR A 97 -17.601 -10.665 1.566 1.00 12.33 H new ATOM 0 HG22 THR A 97 -18.443 -9.097 1.576 1.00 12.33 H new ATOM 0 HG23 THR A 97 -16.754 -9.197 1.025 1.00 12.33 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 1.146 3.154 10.062 1.00 34.12 C HETATM 1429 C2 33B A 101 1.689 2.898 11.456 1.00 42.34 C HETATM 1430 O2 33B A 101 1.801 1.744 11.874 1.00 34.45 O HETATM 1431 N3 33B A 101 2.025 4.025 12.180 1.00 3.44 N HETATM 1432 C4 33B A 101 2.861 4.048 13.478 1.00 2.25 C HETATM 1433 C5 33B A 101 3.403 2.850 14.041 1.00 43.30 C HETATM 1434 C6 33B A 101 3.172 5.321 14.148 1.00 71.10 C HETATM 1435 S6 33B A 101 2.573 6.918 13.555 1.00 63.42 S HETATM 1436 C7 33B A 101 4.231 2.896 15.166 1.00 74.51 C HETATM 1437 C8 33B A 101 4.015 5.298 15.282 1.00 11.44 C HETATM 1438 C9 33B A 101 4.551 4.112 15.782 1.00 33.13 C HETATM 1439 N10 33B A 101 5.513 4.161 16.945 1.00 14.04 N HETATM 1440 N11 33B A 101 6.762 3.865 16.880 1.00 25.31 N HETATM 1441 C12 33B A 101 7.498 3.405 15.628 1.00 23.02 C HETATM 1442 C13 33B A 101 7.282 4.022 14.388 1.00 71.24 C HETATM 1443 C14 33B A 101 8.416 2.365 15.718 1.00 12.21 C HETATM 1444 C15 33B A 101 7.931 3.590 13.236 1.00 2.11 C HETATM 1445 C16 33B A 101 9.137 1.890 14.595 1.00 73.04 C HETATM 1446 C17 33B A 101 8.877 2.514 13.270 1.00 13.31 C HETATM 1447 S17 33B A 101 10.351 0.591 14.902 1.00 30.31 S HETATM 1448 N18 33B A 101 9.588 2.025 11.963 1.00 45.43 N HETATM 1449 C19 33B A 101 9.403 2.585 10.691 1.00 44.14 C HETATM 1450 O19 33B A 101 8.731 3.594 10.487 1.00 22.31 O HETATM 1451 C20 33B A 101 10.095 1.891 9.510 1.00 32.14 C HETATM 1452 O61 33B A 101 3.390 7.150 12.385 1.00 2.02 O HETATM 1453 O62 33B A 101 1.179 6.676 13.278 1.00 23.25 O HETATM 1454 O63 33B A 101 2.813 7.814 14.669 1.00 13.42 O HETATM 1455 O71 33B A 101 11.339 1.281 15.710 1.00 2.43 O HETATM 1456 O72 33B A 101 9.562 -0.405 15.613 1.00 1.15 O HETATM 1457 O73 33B A 101 10.808 0.185 13.599 1.00 23.24 O HETATM 0 HO72 33B A 101 10.128 -1.173 15.836 1.00 1.15 H new HETATM 0 HO62 33B A 101 0.764 7.499 12.947 1.00 23.25 H new HETATM 0 HN18 33B A 101 10.234 1.240 12.043 1.00 45.43 H new HETATM 0 HN3 33B A 101 1.691 4.922 11.826 1.00 3.44 H new HETATM 0 H8 33B A 101 4.254 6.237 15.781 1.00 11.44 H new HETATM 0 H7 33B A 101 4.635 1.968 15.571 1.00 74.51 H new HETATM 0 H5 33B A 101 3.167 1.888 13.586 1.00 43.30 H new HETATM 0 H15 33B A 101 7.715 4.081 12.287 1.00 2.11 H new HETATM 0 H14 33B A 101 8.587 1.898 16.688 1.00 12.21 H new HETATM 0 H13 33B A 101 6.589 4.861 14.325 1.00 71.24 H new