USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= -0.599 K(o=-1.3,f=-0.56) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.746 K(o=-1.3,f=-0.56) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 65:sc= 0.723 USER MOD Single : A 17 GLN : amide:sc= -1.04 X(o=-1,f=-0.69) USER MOD Single : A 22 HIS : no HD1:sc= -0.442 K(o=-0.44,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -2.52 K(o=-2.5,f=-6) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0282) USER MOD Single : A 44 MET CE :methyl -157:sc= -7.39! (180deg=-9.03!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0461 K(o=-0.046,f=-1) USER MOD Single : A 72 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.0071) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.96 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.032 USER MOD Single : A 84 LYS NZ :NH3+ -138:sc= -0.461 (180deg=-2.61!) USER MOD Single : A 89 TYR OH : rot 18:sc= 1.19 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.494 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.00314 X(o=0.0031,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-3!) USER MOD Single : A 101 GLN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 103 SER OG : rot 37:sc= 0.901 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.889 22.213 3.508 1.00 0.00 N ATOM 67 CA GLU A 8 2.267 20.897 4.011 1.00 0.00 C ATOM 68 C GLU A 8 1.398 19.807 3.390 1.00 0.00 C ATOM 69 O GLU A 8 0.426 20.095 2.691 1.00 0.00 O ATOM 70 CB GLU A 8 2.146 20.855 5.535 1.00 0.00 C ATOM 71 CG GLU A 8 0.745 21.152 6.043 1.00 0.00 C ATOM 72 CD GLU A 8 0.715 21.465 7.526 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.327 22.474 7.933 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.080 20.699 8.281 1.00 0.00 O ATOM 0 HA GLU A 8 3.304 20.714 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.450 19.870 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.840 21.576 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.333 21.996 5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.101 20.295 5.843 1.00 0.00 H new ATOM 81 N VAL A 9 1.756 18.553 3.649 1.00 0.00 N ATOM 82 CA VAL A 9 1.010 17.420 3.117 1.00 0.00 C ATOM 83 C VAL A 9 0.168 16.758 4.202 1.00 0.00 C ATOM 84 O VAL A 9 0.621 16.583 5.333 1.00 0.00 O ATOM 85 CB VAL A 9 1.951 16.368 2.500 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.042 15.982 3.487 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.164 15.144 2.056 1.00 0.00 C ATOM 0 H VAL A 9 2.558 18.297 4.224 1.00 0.00 H new ATOM 0 HA VAL A 9 0.354 17.811 2.339 1.00 0.00 H new ATOM 0 HB VAL A 9 2.427 16.803 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.697 15.238 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.624 16.865 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.588 15.566 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.845 14.411 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.658 14.705 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.425 15.437 1.311 1.00 0.00 H new ATOM 97 N ASP A 10 -1.059 16.390 3.850 1.00 0.00 N ATOM 98 CA ASP A 10 -1.964 15.745 4.793 1.00 0.00 C ATOM 99 C ASP A 10 -2.288 14.322 4.349 1.00 0.00 C ATOM 100 O ASP A 10 -2.594 14.063 3.185 1.00 0.00 O ATOM 101 CB ASP A 10 -3.254 16.556 4.930 1.00 0.00 C ATOM 102 CG ASP A 10 -3.898 16.394 6.293 1.00 0.00 C ATOM 103 OD1 ASP A 10 -4.686 15.441 6.467 1.00 0.00 O ATOM 104 OD2 ASP A 10 -3.614 17.220 7.185 1.00 0.00 O ATOM 0 H ASP A 10 -1.450 16.528 2.918 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.467 15.700 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.037 17.610 4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.959 16.245 4.159 1.00 0.00 H new ATOM 109 N PRO A 11 -2.218 13.376 5.298 1.00 0.00 N ATOM 110 CA PRO A 11 -2.499 11.963 5.028 1.00 0.00 C ATOM 111 C PRO A 11 -3.976 11.709 4.746 1.00 0.00 C ATOM 112 O PRO A 11 -4.325 11.025 3.785 1.00 0.00 O ATOM 113 CB PRO A 11 -2.074 11.263 6.322 1.00 0.00 C ATOM 114 CG PRO A 11 -2.196 12.309 7.375 1.00 0.00 C ATOM 115 CD PRO A 11 -1.859 13.613 6.706 1.00 0.00 C ATOM 0 HA PRO A 11 -1.975 11.606 4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.714 10.407 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.053 10.888 6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.205 12.331 7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.517 12.109 8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.426 14.441 7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.803 13.860 6.816 1.00 0.00 H new ATOM 123 N ALA A 12 -4.839 12.266 5.590 1.00 0.00 N ATOM 124 CA ALA A 12 -6.278 12.102 5.429 1.00 0.00 C ATOM 125 C ALA A 12 -6.712 12.428 4.004 1.00 0.00 C ATOM 126 O ALA A 12 -7.727 11.923 3.522 1.00 0.00 O ATOM 127 CB ALA A 12 -7.024 12.979 6.424 1.00 0.00 C ATOM 0 H ALA A 12 -4.566 12.834 6.392 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.524 11.058 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.098 12.846 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.745 12.696 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.764 14.024 6.254 1.00 0.00 H new ATOM 133 N LYS A 13 -5.939 13.275 3.334 1.00 0.00 N ATOM 134 CA LYS A 13 -6.242 13.669 1.964 1.00 0.00 C ATOM 135 C LYS A 13 -5.571 12.730 0.966 1.00 0.00 C ATOM 136 O LYS A 13 -6.098 12.483 -0.119 1.00 0.00 O ATOM 137 CB LYS A 13 -5.786 15.108 1.712 1.00 0.00 C ATOM 138 CG LYS A 13 -6.241 16.086 2.782 1.00 0.00 C ATOM 139 CD LYS A 13 -7.592 16.694 2.444 1.00 0.00 C ATOM 140 CE LYS A 13 -8.733 15.869 3.019 1.00 0.00 C ATOM 141 NZ LYS A 13 -10.034 16.193 2.369 1.00 0.00 N ATOM 0 H LYS A 13 -5.096 13.702 3.718 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.321 13.607 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.698 15.130 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.167 15.437 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.302 15.574 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.501 16.879 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.643 17.710 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.701 16.763 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.516 14.809 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.808 16.050 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.786 15.610 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.254 17.199 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.971 15.996 1.350 1.00 0.00 H new ATOM 155 N CYS A 14 -4.408 12.210 1.342 1.00 0.00 N ATOM 156 CA CYS A 14 -3.665 11.297 0.480 1.00 0.00 C ATOM 157 C CYS A 14 -4.534 10.114 0.064 1.00 0.00 C ATOM 158 O CYS A 14 -5.426 9.695 0.802 1.00 0.00 O ATOM 159 CB CYS A 14 -2.409 10.797 1.194 1.00 0.00 C ATOM 160 SG CYS A 14 -1.098 12.034 1.336 1.00 0.00 S ATOM 0 H CYS A 14 -3.959 12.405 2.237 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.371 11.842 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.683 10.457 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.020 9.931 0.658 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.506 13.014 2.087 1.00 0.00 H new ATOM 166 N VAL A 15 -4.267 9.580 -1.124 1.00 0.00 N ATOM 167 CA VAL A 15 -5.025 8.445 -1.639 1.00 0.00 C ATOM 168 C VAL A 15 -4.105 7.426 -2.302 1.00 0.00 C ATOM 169 O VAL A 15 -2.886 7.602 -2.334 1.00 0.00 O ATOM 170 CB VAL A 15 -6.091 8.897 -2.655 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.393 9.236 -1.947 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.588 10.084 -3.462 1.00 0.00 C ATOM 0 H VAL A 15 -3.532 9.915 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.521 7.981 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.284 8.075 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.134 9.553 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.759 8.356 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.220 10.042 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.354 10.390 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.366 10.913 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.684 9.801 -4.000 1.00 0.00 H new ATOM 182 N LEU A 16 -4.696 6.361 -2.832 1.00 0.00 N ATOM 183 CA LEU A 16 -3.930 5.312 -3.496 1.00 0.00 C ATOM 184 C LEU A 16 -4.512 5.001 -4.871 1.00 0.00 C ATOM 185 O LEU A 16 -5.712 5.154 -5.096 1.00 0.00 O ATOM 186 CB LEU A 16 -3.912 4.045 -2.639 1.00 0.00 C ATOM 187 CG LEU A 16 -3.517 4.232 -1.174 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.187 3.182 -0.302 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.004 4.172 -1.017 1.00 0.00 C ATOM 0 H LEU A 16 -5.703 6.201 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.908 5.669 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.904 3.594 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.222 3.333 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.857 5.215 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.894 3.331 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.270 3.273 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.878 2.188 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.741 4.307 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.641 3.203 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.545 4.963 -1.611 1.00 0.00 H new ATOM 201 N GLN A 17 -3.653 4.562 -5.786 1.00 0.00 N ATOM 202 CA GLN A 17 -4.083 4.227 -7.138 1.00 0.00 C ATOM 203 C GLN A 17 -3.964 2.728 -7.393 1.00 0.00 C ATOM 204 O GLN A 17 -2.919 2.128 -7.148 1.00 0.00 O ATOM 205 CB GLN A 17 -3.253 4.998 -8.166 1.00 0.00 C ATOM 206 CG GLN A 17 -3.543 6.491 -8.186 1.00 0.00 C ATOM 207 CD GLN A 17 -3.316 7.111 -9.550 1.00 0.00 C ATOM 208 OE1 GLN A 17 -4.258 7.313 -10.317 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.061 7.416 -9.861 1.00 0.00 N ATOM 0 H GLN A 17 -2.656 4.430 -5.615 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.130 4.512 -7.239 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.195 4.845 -7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.443 4.586 -9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.576 6.661 -7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.908 6.990 -7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.311 7.231 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.847 7.835 -10.766 1.00 0.00 H new ATOM 218 N GLY A 18 -5.044 2.129 -7.885 1.00 0.00 N ATOM 219 CA GLY A 18 -5.040 0.704 -8.164 1.00 0.00 C ATOM 220 C GLY A 18 -6.418 0.086 -8.042 1.00 0.00 C ATOM 221 O GLY A 18 -6.825 -0.331 -6.958 1.00 0.00 O ATOM 0 H GLY A 18 -5.922 2.604 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.657 0.535 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.359 0.204 -7.476 1.00 0.00 H new ATOM 225 N GLU A 19 -7.139 0.027 -9.157 1.00 0.00 N ATOM 226 CA GLU A 19 -8.481 -0.543 -9.169 1.00 0.00 C ATOM 227 C GLU A 19 -8.496 -1.915 -8.500 1.00 0.00 C ATOM 228 O GLU A 19 -9.495 -2.315 -7.902 1.00 0.00 O ATOM 229 CB GLU A 19 -8.997 -0.659 -10.605 1.00 0.00 C ATOM 230 CG GLU A 19 -10.504 -0.830 -10.698 1.00 0.00 C ATOM 231 CD GLU A 19 -11.060 -0.388 -12.038 1.00 0.00 C ATOM 232 OE1 GLU A 19 -11.013 -1.192 -12.993 1.00 0.00 O ATOM 233 OE2 GLU A 19 -11.541 0.760 -12.133 1.00 0.00 O ATOM 0 H GLU A 19 -6.817 0.367 -10.063 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.136 0.123 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.706 0.233 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.513 -1.507 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.758 -1.877 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.981 -0.256 -9.904 1.00 0.00 H new ATOM 240 N ASP A 20 -7.381 -2.630 -8.605 1.00 0.00 N ATOM 241 CA ASP A 20 -7.264 -3.956 -8.010 1.00 0.00 C ATOM 242 C ASP A 20 -6.241 -3.955 -6.878 1.00 0.00 C ATOM 243 O ASP A 20 -5.193 -4.595 -6.975 1.00 0.00 O ATOM 244 CB ASP A 20 -6.868 -4.982 -9.072 1.00 0.00 C ATOM 245 CG ASP A 20 -5.734 -4.495 -9.953 1.00 0.00 C ATOM 246 OD1 ASP A 20 -4.578 -4.479 -9.479 1.00 0.00 O ATOM 247 OD2 ASP A 20 -6.002 -4.129 -11.117 1.00 0.00 O ATOM 0 H ASP A 20 -6.545 -2.313 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.235 -4.229 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.572 -5.910 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.734 -5.211 -9.693 1.00 0.00 H new ATOM 252 N LEU A 21 -6.551 -3.233 -5.808 1.00 0.00 N ATOM 253 CA LEU A 21 -5.658 -3.148 -4.657 1.00 0.00 C ATOM 254 C LEU A 21 -6.033 -4.182 -3.600 1.00 0.00 C ATOM 255 O LEU A 21 -5.168 -4.866 -3.051 1.00 0.00 O ATOM 256 CB LEU A 21 -5.706 -1.744 -4.053 1.00 0.00 C ATOM 257 CG LEU A 21 -4.869 -0.679 -4.763 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.349 0.715 -4.389 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.395 -0.846 -4.424 1.00 0.00 C ATOM 0 H LEU A 21 -7.414 -2.698 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.644 -3.356 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.744 -1.412 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.376 -1.805 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.991 -0.806 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.741 1.459 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.392 0.832 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.258 0.854 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.814 -0.080 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.256 -0.746 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.058 -1.832 -4.743 1.00 0.00 H new ATOM 271 N HIS A 22 -7.327 -4.292 -3.320 1.00 0.00 N ATOM 272 CA HIS A 22 -7.817 -5.245 -2.330 1.00 0.00 C ATOM 273 C HIS A 22 -7.667 -6.678 -2.834 1.00 0.00 C ATOM 274 O HIS A 22 -7.643 -7.624 -2.047 1.00 0.00 O ATOM 275 CB HIS A 22 -9.282 -4.960 -1.997 1.00 0.00 C ATOM 276 CG HIS A 22 -9.478 -3.730 -1.166 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.521 -3.581 -0.276 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.757 -2.587 -1.092 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.434 -2.400 0.308 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.371 -1.777 -0.169 1.00 0.00 N ATOM 0 H HIS A 22 -8.056 -3.733 -3.764 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.218 -5.132 -1.426 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.843 -4.855 -2.925 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.699 -5.817 -1.468 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.865 -2.355 -1.654 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.116 -2.010 1.049 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.057 -0.846 0.104 1.00 0.00 H new ATOM 289 N ARG A 23 -7.568 -6.829 -4.151 1.00 0.00 N ATOM 290 CA ARG A 23 -7.422 -8.146 -4.760 1.00 0.00 C ATOM 291 C ARG A 23 -5.962 -8.430 -5.098 1.00 0.00 C ATOM 292 O ARG A 23 -5.281 -7.600 -5.700 1.00 0.00 O ATOM 293 CB ARG A 23 -8.278 -8.244 -6.024 1.00 0.00 C ATOM 294 CG ARG A 23 -9.672 -8.796 -5.774 1.00 0.00 C ATOM 295 CD ARG A 23 -10.493 -7.863 -4.898 1.00 0.00 C ATOM 296 NE ARG A 23 -11.858 -8.347 -4.712 1.00 0.00 N ATOM 297 CZ ARG A 23 -12.178 -9.356 -3.908 1.00 0.00 C ATOM 298 NH1 ARG A 23 -11.234 -9.983 -3.220 1.00 0.00 N ATOM 299 NH2 ARG A 23 -13.443 -9.738 -3.792 1.00 0.00 N ATOM 0 H ARG A 23 -7.586 -6.056 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.762 -8.891 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.363 -7.254 -6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.769 -8.880 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.181 -8.945 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.597 -9.773 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.010 -7.759 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.518 -6.871 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.607 -7.885 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.260 -9.691 -3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.481 -10.757 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.171 -9.257 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.687 -10.512 -3.175 1.00 0.00 H new ATOM 313 N ALA A 24 -5.488 -9.608 -4.706 1.00 0.00 N ATOM 314 CA ALA A 24 -4.109 -10.002 -4.969 1.00 0.00 C ATOM 315 C ALA A 24 -4.020 -11.482 -5.324 1.00 0.00 C ATOM 316 O ALA A 24 -4.970 -12.238 -5.119 1.00 0.00 O ATOM 317 CB ALA A 24 -3.233 -9.692 -3.765 1.00 0.00 C ATOM 0 H ALA A 24 -6.038 -10.306 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.749 -9.428 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.206 -9.991 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.264 -8.622 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.600 -10.240 -2.897 1.00 0.00 H new ATOM 323 N ARG A 25 -2.873 -11.890 -5.858 1.00 0.00 N ATOM 324 CA ARG A 25 -2.661 -13.280 -6.243 1.00 0.00 C ATOM 325 C ARG A 25 -1.386 -13.831 -5.612 1.00 0.00 C ATOM 326 O ARG A 25 -0.439 -13.088 -5.354 1.00 0.00 O ATOM 327 CB ARG A 25 -2.583 -13.403 -7.766 1.00 0.00 C ATOM 328 CG ARG A 25 -3.932 -13.633 -8.428 1.00 0.00 C ATOM 329 CD ARG A 25 -3.797 -13.761 -9.937 1.00 0.00 C ATOM 330 NE ARG A 25 -3.351 -12.515 -10.555 1.00 0.00 N ATOM 331 CZ ARG A 25 -3.550 -12.216 -11.834 1.00 0.00 C ATOM 332 NH1 ARG A 25 -4.185 -13.069 -12.626 1.00 0.00 N ATOM 333 NH2 ARG A 25 -3.115 -11.062 -12.322 1.00 0.00 N ATOM 0 H ARG A 25 -2.077 -11.278 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.507 -13.864 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.138 -12.495 -8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.917 -14.227 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.387 -14.537 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.601 -12.806 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.089 -14.556 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.757 -14.054 -10.363 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.860 -11.837 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.522 -13.957 -12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.337 -12.837 -13.608 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.627 -10.403 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.268 -10.833 -13.304 1.00 0.00 H new ATOM 347 N GLU A 26 -1.370 -15.137 -5.365 1.00 0.00 N ATOM 348 CA GLU A 26 -0.211 -15.786 -4.762 1.00 0.00 C ATOM 349 C GLU A 26 1.041 -15.554 -5.603 1.00 0.00 C ATOM 350 O GLU A 26 1.006 -15.652 -6.830 1.00 0.00 O ATOM 351 CB GLU A 26 -0.463 -17.287 -4.606 1.00 0.00 C ATOM 352 CG GLU A 26 0.782 -18.079 -4.242 1.00 0.00 C ATOM 353 CD GLU A 26 1.119 -17.989 -2.767 1.00 0.00 C ATOM 354 OE1 GLU A 26 0.859 -16.927 -2.162 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.643 -18.980 -2.216 1.00 0.00 O ATOM 0 H GLU A 26 -2.145 -15.766 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.053 -15.347 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.220 -17.442 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.872 -17.677 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.636 -19.124 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.626 -17.712 -4.827 1.00 0.00 H new ATOM 362 N LYS A 27 2.147 -15.244 -4.935 1.00 0.00 N ATOM 363 CA LYS A 27 3.411 -14.999 -5.618 1.00 0.00 C ATOM 364 C LYS A 27 3.221 -14.030 -6.781 1.00 0.00 C ATOM 365 O LYS A 27 3.770 -14.233 -7.864 1.00 0.00 O ATOM 366 CB LYS A 27 4.003 -16.315 -6.127 1.00 0.00 C ATOM 367 CG LYS A 27 4.635 -17.160 -5.035 1.00 0.00 C ATOM 368 CD LYS A 27 4.903 -18.578 -5.512 1.00 0.00 C ATOM 369 CE LYS A 27 3.617 -19.382 -5.622 1.00 0.00 C ATOM 370 NZ LYS A 27 3.884 -20.840 -5.762 1.00 0.00 N ATOM 0 H LYS A 27 2.193 -15.156 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 27 4.101 -14.551 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.217 -16.893 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.754 -16.096 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.570 -16.701 -4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.977 -17.186 -4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.399 -18.549 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.585 -19.073 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.004 -19.209 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.044 -19.034 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.982 -21.353 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.448 -21.009 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.409 -21.178 -4.930 1.00 0.00 H new ATOM 384 N GLN A 28 2.444 -12.978 -6.549 1.00 0.00 N ATOM 385 CA GLN A 28 2.183 -11.979 -7.578 1.00 0.00 C ATOM 386 C GLN A 28 2.739 -10.618 -7.169 1.00 0.00 C ATOM 387 O GLN A 28 2.703 -10.248 -5.995 1.00 0.00 O ATOM 388 CB GLN A 28 0.681 -11.870 -7.846 1.00 0.00 C ATOM 389 CG GLN A 28 0.345 -11.161 -9.147 1.00 0.00 C ATOM 390 CD GLN A 28 0.571 -9.664 -9.072 1.00 0.00 C ATOM 391 OE1 GLN A 28 0.255 -9.027 -8.067 1.00 0.00 O ATOM 392 NE2 GLN A 28 1.122 -9.094 -10.137 1.00 0.00 N ATOM 0 H GLN A 28 1.984 -12.795 -5.657 1.00 0.00 H new ATOM 0 HA GLN A 28 2.685 -12.297 -8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.250 -12.871 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.211 -11.337 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.954 -11.576 -9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.697 -11.355 -9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.368 -9.661 -10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.299 -8.090 -10.144 1.00 0.00 H new ATOM 401 N THR A 29 3.252 -9.876 -8.145 1.00 0.00 N ATOM 402 CA THR A 29 3.817 -8.558 -7.886 1.00 0.00 C ATOM 403 C THR A 29 2.759 -7.469 -8.031 1.00 0.00 C ATOM 404 O THR A 29 2.449 -7.035 -9.140 1.00 0.00 O ATOM 405 CB THR A 29 4.987 -8.251 -8.840 1.00 0.00 C ATOM 406 OG1 THR A 29 5.972 -9.286 -8.756 1.00 0.00 O ATOM 407 CG2 THR A 29 5.623 -6.910 -8.502 1.00 0.00 C ATOM 0 H THR A 29 3.288 -10.166 -9.122 1.00 0.00 H new ATOM 0 HA THR A 29 4.187 -8.568 -6.861 1.00 0.00 H new ATOM 0 HB THR A 29 4.596 -8.204 -9.856 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.712 -9.084 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.447 -6.715 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.878 -6.120 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.001 -6.934 -7.480 1.00 0.00 H new ATOM 415 N ALA A 30 2.209 -7.032 -6.903 1.00 0.00 N ATOM 416 CA ALA A 30 1.188 -5.991 -6.905 1.00 0.00 C ATOM 417 C ALA A 30 1.783 -4.638 -6.532 1.00 0.00 C ATOM 418 O ALA A 30 2.264 -4.447 -5.415 1.00 0.00 O ATOM 419 CB ALA A 30 0.062 -6.356 -5.949 1.00 0.00 C ATOM 0 H ALA A 30 2.453 -7.382 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 30 0.783 -5.915 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.694 -5.570 -5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.389 -7.298 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.461 -6.461 -4.940 1.00 0.00 H new ATOM 425 N SER A 31 1.748 -3.701 -7.474 1.00 0.00 N ATOM 426 CA SER A 31 2.288 -2.366 -7.246 1.00 0.00 C ATOM 427 C SER A 31 1.221 -1.301 -7.481 1.00 0.00 C ATOM 428 O SER A 31 0.315 -1.483 -8.294 1.00 0.00 O ATOM 429 CB SER A 31 3.487 -2.114 -8.162 1.00 0.00 C ATOM 430 OG SER A 31 3.098 -2.121 -9.525 1.00 0.00 O ATOM 0 H SER A 31 1.351 -3.842 -8.403 1.00 0.00 H new ATOM 0 HA SER A 31 2.614 -2.306 -6.208 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.942 -1.155 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.245 -2.879 -7.993 1.00 0.00 H new ATOM 0 HG SER A 31 3.882 -1.956 -10.090 1.00 0.00 H new ATOM 436 N PHE A 32 1.337 -0.188 -6.764 1.00 0.00 N ATOM 437 CA PHE A 32 0.383 0.907 -6.892 1.00 0.00 C ATOM 438 C PHE A 32 1.080 2.256 -6.742 1.00 0.00 C ATOM 439 O PHE A 32 2.241 2.327 -6.339 1.00 0.00 O ATOM 440 CB PHE A 32 -0.724 0.773 -5.845 1.00 0.00 C ATOM 441 CG PHE A 32 -0.216 0.412 -4.478 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.141 -0.893 -4.180 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.096 1.377 -3.492 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.610 -1.229 -2.924 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.372 1.047 -2.234 1.00 0.00 C ATOM 446 CZ PHE A 32 0.724 -0.257 -1.949 1.00 0.00 C ATOM 0 H PHE A 32 2.082 -0.021 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.060 0.855 -7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.271 1.714 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.433 0.013 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.052 -1.657 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.371 2.399 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.887 -2.250 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.462 1.809 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.088 -0.517 -0.966 1.00 0.00 H new ATOM 456 N THR A 33 0.362 3.326 -7.071 1.00 0.00 N ATOM 457 CA THR A 33 0.910 4.673 -6.975 1.00 0.00 C ATOM 458 C THR A 33 0.289 5.438 -5.811 1.00 0.00 C ATOM 459 O THR A 33 -0.934 5.540 -5.705 1.00 0.00 O ATOM 460 CB THR A 33 0.683 5.466 -8.275 1.00 0.00 C ATOM 461 OG1 THR A 33 1.414 4.865 -9.350 1.00 0.00 O ATOM 462 CG2 THR A 33 1.117 6.915 -8.109 1.00 0.00 C ATOM 0 H THR A 33 -0.600 3.285 -7.406 1.00 0.00 H new ATOM 0 HA THR A 33 1.982 4.567 -6.806 1.00 0.00 H new ATOM 0 HB THR A 33 -0.382 5.446 -8.504 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.263 5.374 -10.173 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.947 7.455 -9.041 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.539 7.379 -7.310 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.177 6.951 -7.857 1.00 0.00 H new ATOM 470 N LEU A 34 1.138 5.974 -4.941 1.00 0.00 N ATOM 471 CA LEU A 34 0.672 6.731 -3.785 1.00 0.00 C ATOM 472 C LEU A 34 0.676 8.228 -4.077 1.00 0.00 C ATOM 473 O LEU A 34 1.730 8.865 -4.097 1.00 0.00 O ATOM 474 CB LEU A 34 1.551 6.435 -2.569 1.00 0.00 C ATOM 475 CG LEU A 34 1.319 7.317 -1.342 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.042 7.029 -0.726 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.425 7.108 -0.317 1.00 0.00 C ATOM 0 H LEU A 34 2.153 5.898 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.351 6.424 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.397 5.396 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.595 6.531 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 34 1.338 8.359 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.189 7.666 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.823 7.231 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.090 5.983 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.243 7.744 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.439 6.064 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.386 7.366 -0.761 1.00 0.00 H new ATOM 489 N LEU A 35 -0.509 8.785 -4.301 1.00 0.00 N ATOM 490 CA LEU A 35 -0.643 10.209 -4.589 1.00 0.00 C ATOM 491 C LEU A 35 -0.618 11.030 -3.304 1.00 0.00 C ATOM 492 O LEU A 35 -1.273 10.683 -2.321 1.00 0.00 O ATOM 493 CB LEU A 35 -1.942 10.474 -5.352 1.00 0.00 C ATOM 494 CG LEU A 35 -2.167 9.633 -6.609 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.644 9.596 -6.969 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.346 10.177 -7.769 1.00 0.00 C ATOM 0 H LEU A 35 -1.391 8.273 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 35 0.203 10.511 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.779 10.307 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.965 11.526 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.839 8.614 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.785 8.993 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.208 9.159 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.999 10.610 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.519 9.566 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.643 11.206 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.288 10.150 -7.510 1.00 0.00 H new ATOM 508 N CYS A 36 0.142 12.120 -3.320 1.00 0.00 N ATOM 509 CA CYS A 36 0.251 12.991 -2.155 1.00 0.00 C ATOM 510 C CYS A 36 -0.492 14.303 -2.386 1.00 0.00 C ATOM 511 O CYS A 36 -0.250 15.002 -3.370 1.00 0.00 O ATOM 512 CB CYS A 36 1.721 13.273 -1.840 1.00 0.00 C ATOM 513 SG CYS A 36 2.684 11.799 -1.432 1.00 0.00 S ATOM 0 H CYS A 36 0.691 12.421 -4.125 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.204 12.481 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.177 13.766 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.775 13.972 -1.005 1.00 0.00 H new ATOM 0 HG CYS A 36 3.914 12.139 -1.184 1.00 0.00 H new ATOM 519 N LYS A 37 -1.400 14.631 -1.473 1.00 0.00 N ATOM 520 CA LYS A 37 -2.181 15.858 -1.576 1.00 0.00 C ATOM 521 C LYS A 37 -1.933 16.763 -0.373 1.00 0.00 C ATOM 522 O LYS A 37 -1.222 16.390 0.560 1.00 0.00 O ATOM 523 CB LYS A 37 -3.672 15.530 -1.682 1.00 0.00 C ATOM 524 CG LYS A 37 -4.106 15.116 -3.078 1.00 0.00 C ATOM 525 CD LYS A 37 -3.977 13.615 -3.279 1.00 0.00 C ATOM 526 CE LYS A 37 -4.093 13.238 -4.748 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.419 13.610 -5.313 1.00 0.00 N ATOM 0 H LYS A 37 -1.613 14.064 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.866 16.385 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.909 14.727 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.250 16.401 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.140 15.419 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.499 15.637 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.017 13.276 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.751 13.102 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.305 13.735 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.938 12.165 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.497 13.247 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.174 13.198 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.514 14.646 -5.322 1.00 0.00 H new ATOM 541 N ASP A 38 -2.525 17.952 -0.401 1.00 0.00 N ATOM 542 CA ASP A 38 -2.370 18.909 0.688 1.00 0.00 C ATOM 543 C ASP A 38 -3.613 18.931 1.572 1.00 0.00 C ATOM 544 O ASP A 38 -4.556 18.172 1.354 1.00 0.00 O ATOM 545 CB ASP A 38 -2.099 20.307 0.132 1.00 0.00 C ATOM 546 CG ASP A 38 -3.371 21.023 -0.280 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.382 20.336 -0.536 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.355 22.270 -0.345 1.00 0.00 O ATOM 0 H ASP A 38 -3.117 18.276 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.520 18.598 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.579 20.900 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.434 20.230 -0.728 1.00 0.00 H new ATOM 553 N ALA A 39 -3.606 19.807 2.572 1.00 0.00 N ATOM 554 CA ALA A 39 -4.733 19.929 3.489 1.00 0.00 C ATOM 555 C ALA A 39 -6.025 20.222 2.734 1.00 0.00 C ATOM 556 O ALA A 39 -7.106 19.808 3.151 1.00 0.00 O ATOM 557 CB ALA A 39 -4.461 21.017 4.517 1.00 0.00 C ATOM 0 H ALA A 39 -2.832 20.442 2.768 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.854 18.978 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.311 21.097 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.566 20.765 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.312 21.969 4.008 1.00 0.00 H new ATOM 563 N ALA A 40 -5.905 20.940 1.622 1.00 0.00 N ATOM 564 CA ALA A 40 -7.064 21.287 0.808 1.00 0.00 C ATOM 565 C ALA A 40 -7.450 20.138 -0.117 1.00 0.00 C ATOM 566 O ALA A 40 -8.342 20.274 -0.953 1.00 0.00 O ATOM 567 CB ALA A 40 -6.784 22.546 0.001 1.00 0.00 C ATOM 0 H ALA A 40 -5.017 21.293 1.264 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.903 21.477 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.658 22.793 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.565 23.371 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.928 22.376 -0.653 1.00 0.00 H new ATOM 573 N GLY A 41 -6.771 19.005 0.039 1.00 0.00 N ATOM 574 CA GLY A 41 -7.058 17.849 -0.790 1.00 0.00 C ATOM 575 C GLY A 41 -6.740 18.091 -2.252 1.00 0.00 C ATOM 576 O GLY A 41 -7.384 17.526 -3.135 1.00 0.00 O ATOM 0 H GLY A 41 -6.028 18.867 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.481 16.997 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.111 17.586 -0.689 1.00 0.00 H new ATOM 580 N GLU A 42 -5.745 18.934 -2.508 1.00 0.00 N ATOM 581 CA GLU A 42 -5.345 19.251 -3.874 1.00 0.00 C ATOM 582 C GLU A 42 -3.924 18.771 -4.151 1.00 0.00 C ATOM 583 O GLU A 42 -3.123 18.604 -3.230 1.00 0.00 O ATOM 584 CB GLU A 42 -5.443 20.758 -4.121 1.00 0.00 C ATOM 585 CG GLU A 42 -4.305 21.552 -3.500 1.00 0.00 C ATOM 586 CD GLU A 42 -4.690 22.988 -3.202 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.902 23.289 -3.198 1.00 0.00 O ATOM 588 OE2 GLU A 42 -3.779 23.810 -2.972 1.00 0.00 O ATOM 0 H GLU A 42 -5.201 19.410 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.023 18.734 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.459 20.941 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.389 21.122 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.989 21.066 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.449 21.542 -4.175 1.00 0.00 H new ATOM 595 N ILE A 43 -3.618 18.549 -5.425 1.00 0.00 N ATOM 596 CA ILE A 43 -2.294 18.088 -5.823 1.00 0.00 C ATOM 597 C ILE A 43 -1.220 19.098 -5.432 1.00 0.00 C ATOM 598 O ILE A 43 -1.345 20.290 -5.709 1.00 0.00 O ATOM 599 CB ILE A 43 -2.218 17.836 -7.340 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.328 16.878 -7.776 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.853 17.281 -7.717 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.965 15.418 -7.613 1.00 0.00 C ATOM 0 H ILE A 43 -4.269 18.681 -6.199 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.115 17.150 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.358 18.784 -7.859 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.226 17.088 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.572 17.069 -8.821 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.815 17.108 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.079 17.996 -7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.685 16.341 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.798 14.797 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.085 15.192 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.750 15.211 -6.565 1.00 0.00 H new ATOM 614 N MET A 44 -0.163 18.611 -4.789 1.00 0.00 N ATOM 615 CA MET A 44 0.935 19.471 -4.363 1.00 0.00 C ATOM 616 C MET A 44 2.184 19.211 -5.199 1.00 0.00 C ATOM 617 O MET A 44 3.016 20.099 -5.381 1.00 0.00 O ATOM 618 CB MET A 44 1.242 19.245 -2.881 1.00 0.00 C ATOM 619 CG MET A 44 1.879 17.896 -2.591 1.00 0.00 C ATOM 620 SD MET A 44 2.712 17.850 -0.993 1.00 0.00 S ATOM 621 CE MET A 44 1.375 18.329 0.099 1.00 0.00 C ATOM 0 H MET A 44 -0.044 17.626 -4.552 1.00 0.00 H new ATOM 0 HA MET A 44 0.631 20.507 -4.509 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.908 20.034 -2.532 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.318 19.331 -2.310 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.111 17.123 -2.618 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.596 17.661 -3.377 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.787 18.739 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.759 19.084 -0.390 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.764 17.456 0.331 1.00 0.00 H new ATOM 631 N GLY A 45 2.309 17.988 -5.705 1.00 0.00 N ATOM 632 CA GLY A 45 3.460 17.634 -6.515 1.00 0.00 C ATOM 633 C GLY A 45 4.772 17.872 -5.793 1.00 0.00 C ATOM 634 O GLY A 45 5.626 18.617 -6.274 1.00 0.00 O ATOM 0 H GLY A 45 1.634 17.236 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.391 16.584 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.445 18.216 -7.436 1.00 0.00 H new ATOM 638 N ARG A 46 4.932 17.240 -4.635 1.00 0.00 N ATOM 639 CA ARG A 46 6.148 17.390 -3.845 1.00 0.00 C ATOM 640 C ARG A 46 6.504 16.082 -3.144 1.00 0.00 C ATOM 641 O ARG A 46 5.677 15.179 -3.034 1.00 0.00 O ATOM 642 CB ARG A 46 5.976 18.504 -2.812 1.00 0.00 C ATOM 643 CG ARG A 46 5.852 19.890 -3.425 1.00 0.00 C ATOM 644 CD ARG A 46 5.045 20.822 -2.535 1.00 0.00 C ATOM 645 NE ARG A 46 5.028 22.189 -3.049 1.00 0.00 N ATOM 646 CZ ARG A 46 6.075 23.005 -3.001 1.00 0.00 C ATOM 647 NH1 ARG A 46 7.216 22.594 -2.467 1.00 0.00 N ATOM 648 NH2 ARG A 46 5.982 24.236 -3.489 1.00 0.00 N ATOM 0 H ARG A 46 4.235 16.619 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 46 6.961 17.654 -4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.088 18.300 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.828 18.492 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.846 20.308 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.376 19.816 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.023 20.452 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.466 20.818 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 46 4.165 22.536 -3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.292 21.649 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.018 23.223 -2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.106 24.556 -3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.787 24.862 -3.451 1.00 0.00 H new ATOM 662 N GLY A 47 7.744 15.989 -2.671 1.00 0.00 N ATOM 663 CA GLY A 47 8.189 14.788 -1.988 1.00 0.00 C ATOM 664 C GLY A 47 8.768 15.082 -0.618 1.00 0.00 C ATOM 665 O GLY A 47 8.277 15.954 0.098 1.00 0.00 O ATOM 0 H GLY A 47 8.447 16.724 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.350 14.100 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.940 14.285 -2.596 1.00 0.00 H new ATOM 669 N GLY A 48 9.817 14.351 -0.251 1.00 0.00 N ATOM 670 CA GLY A 48 10.445 14.552 1.041 1.00 0.00 C ATOM 671 C GLY A 48 9.491 14.308 2.194 1.00 0.00 C ATOM 672 O GLY A 48 9.443 15.089 3.144 1.00 0.00 O ATOM 0 H GLY A 48 10.242 13.624 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.301 13.883 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.829 15.570 1.100 1.00 0.00 H new ATOM 676 N ASP A 49 8.730 13.223 2.110 1.00 0.00 N ATOM 677 CA ASP A 49 7.772 12.879 3.154 1.00 0.00 C ATOM 678 C ASP A 49 8.132 11.546 3.804 1.00 0.00 C ATOM 679 O ASP A 49 9.087 10.885 3.398 1.00 0.00 O ATOM 680 CB ASP A 49 6.357 12.812 2.576 1.00 0.00 C ATOM 681 CG ASP A 49 5.875 14.157 2.070 1.00 0.00 C ATOM 682 OD1 ASP A 49 6.728 15.014 1.757 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.644 14.354 1.987 1.00 0.00 O ATOM 0 H ASP A 49 8.758 12.566 1.330 1.00 0.00 H new ATOM 0 HA ASP A 49 7.808 13.657 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.335 12.091 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.672 12.448 3.341 1.00 0.00 H new ATOM 688 N ASN A 50 7.362 11.160 4.816 1.00 0.00 N ATOM 689 CA ASN A 50 7.601 9.908 5.524 1.00 0.00 C ATOM 690 C ASN A 50 6.482 8.907 5.251 1.00 0.00 C ATOM 691 O ASN A 50 5.414 8.971 5.860 1.00 0.00 O ATOM 692 CB ASN A 50 7.718 10.162 7.028 1.00 0.00 C ATOM 693 CG ASN A 50 8.116 8.916 7.796 1.00 0.00 C ATOM 694 OD1 ASN A 50 9.102 8.258 7.463 1.00 0.00 O ATOM 695 ND2 ASN A 50 7.350 8.588 8.829 1.00 0.00 N ATOM 0 H ASN A 50 6.567 11.696 5.164 1.00 0.00 H new ATOM 0 HA ASN A 50 8.538 9.487 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.455 10.945 7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.764 10.530 7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.569 7.761 9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.542 9.163 9.068 1.00 0.00 H new ATOM 702 N VAL A 51 6.735 7.981 4.332 1.00 0.00 N ATOM 703 CA VAL A 51 5.751 6.964 3.979 1.00 0.00 C ATOM 704 C VAL A 51 6.107 5.617 4.597 1.00 0.00 C ATOM 705 O VAL A 51 7.270 5.213 4.601 1.00 0.00 O ATOM 706 CB VAL A 51 5.634 6.802 2.452 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.642 5.702 2.106 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.230 8.119 1.806 1.00 0.00 C ATOM 0 H VAL A 51 7.613 7.914 3.818 1.00 0.00 H new ATOM 0 HA VAL A 51 4.793 7.300 4.375 1.00 0.00 H new ATOM 0 HB VAL A 51 6.609 6.515 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.573 5.602 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.979 4.759 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.662 5.955 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.152 7.986 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.266 8.438 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.982 8.877 2.025 1.00 0.00 H new ATOM 718 N GLN A 52 5.098 4.925 5.117 1.00 0.00 N ATOM 719 CA GLN A 52 5.306 3.622 5.738 1.00 0.00 C ATOM 720 C GLN A 52 4.446 2.556 5.066 1.00 0.00 C ATOM 721 O GLN A 52 3.237 2.727 4.908 1.00 0.00 O ATOM 722 CB GLN A 52 4.982 3.688 7.231 1.00 0.00 C ATOM 723 CG GLN A 52 5.810 4.713 7.989 1.00 0.00 C ATOM 724 CD GLN A 52 7.299 4.443 7.898 1.00 0.00 C ATOM 725 OE1 GLN A 52 7.729 3.292 7.818 1.00 0.00 O ATOM 726 NE2 GLN A 52 8.096 5.505 7.910 1.00 0.00 N ATOM 0 H GLN A 52 4.129 5.245 5.121 1.00 0.00 H new ATOM 0 HA GLN A 52 6.354 3.350 5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.925 3.924 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.143 2.705 7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.600 5.707 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.508 4.715 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.697 6.441 7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.107 5.384 7.852 1.00 0.00 H new ATOM 735 N VAL A 53 5.079 1.456 4.671 1.00 0.00 N ATOM 736 CA VAL A 53 4.372 0.361 4.016 1.00 0.00 C ATOM 737 C VAL A 53 4.714 -0.977 4.661 1.00 0.00 C ATOM 738 O VAL A 53 5.838 -1.465 4.544 1.00 0.00 O ATOM 739 CB VAL A 53 4.708 0.296 2.514 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.976 -0.863 1.854 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.363 1.612 1.834 1.00 0.00 C ATOM 0 H VAL A 53 6.079 1.299 4.793 1.00 0.00 H new ATOM 0 HA VAL A 53 3.306 0.556 4.134 1.00 0.00 H new ATOM 0 HB VAL A 53 5.779 0.127 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.225 -0.894 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.277 -1.799 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.901 -0.728 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.607 1.548 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.298 1.813 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.937 2.419 2.290 1.00 0.00 H new ATOM 751 N ALA A 54 3.737 -1.567 5.341 1.00 0.00 N ATOM 752 CA ALA A 54 3.933 -2.851 6.003 1.00 0.00 C ATOM 753 C ALA A 54 2.779 -3.803 5.707 1.00 0.00 C ATOM 754 O ALA A 54 1.617 -3.482 5.955 1.00 0.00 O ATOM 755 CB ALA A 54 4.086 -2.653 7.503 1.00 0.00 C ATOM 0 H ALA A 54 2.801 -1.176 5.448 1.00 0.00 H new ATOM 0 HA ALA A 54 4.847 -3.298 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.232 -3.620 7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.948 -2.016 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.188 -2.181 7.901 1.00 0.00 H new ATOM 761 N VAL A 55 3.107 -4.976 5.175 1.00 0.00 N ATOM 762 CA VAL A 55 2.098 -5.975 4.846 1.00 0.00 C ATOM 763 C VAL A 55 2.209 -7.190 5.760 1.00 0.00 C ATOM 764 O VAL A 55 3.201 -7.919 5.724 1.00 0.00 O ATOM 765 CB VAL A 55 2.221 -6.435 3.381 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.188 -7.508 3.070 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.073 -5.252 2.437 1.00 0.00 C ATOM 0 H VAL A 55 4.064 -5.258 4.963 1.00 0.00 H new ATOM 0 HA VAL A 55 1.126 -5.503 4.991 1.00 0.00 H new ATOM 0 HB VAL A 55 3.212 -6.865 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.290 -7.821 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.346 -8.365 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.187 -7.107 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.163 -5.595 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.096 -4.791 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.854 -4.521 2.645 1.00 0.00 H new ATOM 777 N VAL A 56 1.184 -7.404 6.579 1.00 0.00 N ATOM 778 CA VAL A 56 1.165 -8.532 7.502 1.00 0.00 C ATOM 779 C VAL A 56 -0.080 -9.388 7.299 1.00 0.00 C ATOM 780 O VAL A 56 -1.211 -8.907 7.366 1.00 0.00 O ATOM 781 CB VAL A 56 1.217 -8.059 8.967 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.437 -9.239 9.901 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.305 -7.013 9.151 1.00 0.00 C ATOM 0 H VAL A 56 0.356 -6.810 6.622 1.00 0.00 H new ATOM 0 HA VAL A 56 2.051 -9.130 7.289 1.00 0.00 H new ATOM 0 HB VAL A 56 0.260 -7.602 9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.471 -8.886 10.932 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.619 -9.950 9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.379 -9.728 9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.327 -6.690 10.192 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.271 -7.442 8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.098 -6.156 8.510 1.00 0.00 H new ATOM 793 N PRO A 57 0.131 -10.688 7.043 1.00 0.00 N ATOM 794 CA PRO A 57 -0.963 -11.639 6.826 1.00 0.00 C ATOM 795 C PRO A 57 -1.752 -11.916 8.101 1.00 0.00 C ATOM 796 O PRO A 57 -1.177 -12.218 9.147 1.00 0.00 O ATOM 797 CB PRO A 57 -0.243 -12.906 6.356 1.00 0.00 C ATOM 798 CG PRO A 57 1.128 -12.797 6.929 1.00 0.00 C ATOM 799 CD PRO A 57 1.453 -11.329 6.948 1.00 0.00 C ATOM 0 HA PRO A 57 -1.697 -11.261 6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.750 -13.804 6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.214 -12.964 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.166 -13.218 7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.848 -13.348 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.087 -11.069 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.984 -11.023 6.046 1.00 0.00 H new ATOM 807 N LYS A 58 -3.074 -11.812 8.008 1.00 0.00 N ATOM 808 CA LYS A 58 -3.943 -12.053 9.153 1.00 0.00 C ATOM 809 C LYS A 58 -3.766 -13.474 9.681 1.00 0.00 C ATOM 810 O LYS A 58 -3.995 -13.740 10.861 1.00 0.00 O ATOM 811 CB LYS A 58 -5.406 -11.820 8.767 1.00 0.00 C ATOM 812 CG LYS A 58 -6.276 -11.370 9.928 1.00 0.00 C ATOM 813 CD LYS A 58 -7.753 -11.451 9.581 1.00 0.00 C ATOM 814 CE LYS A 58 -8.233 -10.186 8.885 1.00 0.00 C ATOM 815 NZ LYS A 58 -9.716 -10.149 8.763 1.00 0.00 N ATOM 0 H LYS A 58 -3.567 -11.562 7.150 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.665 -11.354 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.450 -11.069 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.815 -12.741 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.071 -11.992 10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.021 -10.346 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.929 -12.312 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.333 -11.610 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.893 -9.313 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.785 -10.125 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.003 -9.272 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.039 -10.968 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.143 -10.181 9.711 1.00 0.00 H new ATOM 829 N ASP A 59 -3.356 -14.380 8.801 1.00 0.00 N ATOM 830 CA ASP A 59 -3.146 -15.773 9.179 1.00 0.00 C ATOM 831 C ASP A 59 -1.930 -15.911 10.090 1.00 0.00 C ATOM 832 O ASP A 59 -2.010 -16.509 11.163 1.00 0.00 O ATOM 833 CB ASP A 59 -2.966 -16.640 7.932 1.00 0.00 C ATOM 834 CG ASP A 59 -3.274 -18.102 8.194 1.00 0.00 C ATOM 835 OD1 ASP A 59 -4.384 -18.395 8.685 1.00 0.00 O ATOM 836 OD2 ASP A 59 -2.405 -18.952 7.910 1.00 0.00 O ATOM 0 H ASP A 59 -3.162 -14.175 7.821 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.026 -16.113 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.617 -16.271 7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.941 -16.546 7.573 1.00 0.00 H new ATOM 841 N LYS A 60 -0.805 -15.354 9.655 1.00 0.00 N ATOM 842 CA LYS A 60 0.428 -15.415 10.430 1.00 0.00 C ATOM 843 C LYS A 60 0.824 -14.029 10.930 1.00 0.00 C ATOM 844 O LYS A 60 1.020 -13.105 10.141 1.00 0.00 O ATOM 845 CB LYS A 60 1.559 -16.005 9.583 1.00 0.00 C ATOM 846 CG LYS A 60 1.414 -17.496 9.331 1.00 0.00 C ATOM 847 CD LYS A 60 2.034 -18.314 10.452 1.00 0.00 C ATOM 848 CE LYS A 60 1.749 -19.798 10.282 1.00 0.00 C ATOM 849 NZ LYS A 60 2.620 -20.633 11.155 1.00 0.00 N ATOM 0 H LYS A 60 -0.722 -14.855 8.769 1.00 0.00 H new ATOM 0 HA LYS A 60 0.255 -16.059 11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.595 -15.485 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.510 -15.820 10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.358 -17.749 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.890 -17.754 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.111 -18.149 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.642 -17.975 11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.703 -19.996 10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.901 -20.080 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.395 -21.638 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.617 -20.463 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.456 -20.382 12.151 1.00 0.00 H new ATOM 863 N LYS A 61 0.942 -13.892 12.247 1.00 0.00 N ATOM 864 CA LYS A 61 1.318 -12.621 12.853 1.00 0.00 C ATOM 865 C LYS A 61 2.802 -12.337 12.648 1.00 0.00 C ATOM 866 O LYS A 61 3.215 -11.182 12.543 1.00 0.00 O ATOM 867 CB LYS A 61 0.991 -12.629 14.348 1.00 0.00 C ATOM 868 CG LYS A 61 -0.485 -12.435 14.650 1.00 0.00 C ATOM 869 CD LYS A 61 -0.763 -12.497 16.142 1.00 0.00 C ATOM 870 CE LYS A 61 -0.691 -13.925 16.663 1.00 0.00 C ATOM 871 NZ LYS A 61 -1.076 -14.011 18.099 1.00 0.00 N ATOM 0 H LYS A 61 0.782 -14.646 12.915 1.00 0.00 H new ATOM 0 HA LYS A 61 0.745 -11.832 12.366 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.320 -13.575 14.778 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.560 -11.840 14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.814 -11.473 14.258 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.066 -13.203 14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.041 -11.878 16.674 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.750 -12.083 16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.350 -14.561 16.072 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.321 -14.308 16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.014 -14.999 18.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.432 -13.424 18.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.051 -13.670 18.218 1.00 0.00 H new ATOM 885 N ASP A 62 3.600 -13.398 12.592 1.00 0.00 N ATOM 886 CA ASP A 62 5.039 -13.264 12.397 1.00 0.00 C ATOM 887 C ASP A 62 5.383 -13.210 10.912 1.00 0.00 C ATOM 888 O ASP A 62 5.895 -12.205 10.419 1.00 0.00 O ATOM 889 CB ASP A 62 5.776 -14.426 13.062 1.00 0.00 C ATOM 890 CG ASP A 62 7.200 -14.068 13.442 1.00 0.00 C ATOM 891 OD1 ASP A 62 7.393 -13.466 14.519 1.00 0.00 O ATOM 892 OD2 ASP A 62 8.121 -14.388 12.661 1.00 0.00 O ATOM 0 H ASP A 62 3.274 -14.361 12.679 1.00 0.00 H new ATOM 0 HA ASP A 62 5.358 -12.330 12.860 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.232 -14.734 13.955 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.788 -15.280 12.385 1.00 0.00 H new ATOM 897 N SER A 63 5.100 -14.299 10.204 1.00 0.00 N ATOM 898 CA SER A 63 5.384 -14.378 8.776 1.00 0.00 C ATOM 899 C SER A 63 5.221 -13.013 8.113 1.00 0.00 C ATOM 900 O SER A 63 4.120 -12.599 7.749 1.00 0.00 O ATOM 901 CB SER A 63 4.459 -15.396 8.106 1.00 0.00 C ATOM 902 OG SER A 63 4.901 -15.701 6.795 1.00 0.00 O ATOM 0 H SER A 63 4.674 -15.139 10.596 1.00 0.00 H new ATOM 0 HA SER A 63 6.418 -14.701 8.654 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.424 -16.308 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.444 -15.000 8.068 1.00 0.00 H new ATOM 0 HG SER A 63 4.294 -16.355 6.389 1.00 0.00 H new ATOM 908 N PRO A 64 6.343 -12.297 7.953 1.00 0.00 N ATOM 909 CA PRO A 64 6.352 -10.968 7.333 1.00 0.00 C ATOM 910 C PRO A 64 6.058 -11.024 5.838 1.00 0.00 C ATOM 911 O PRO A 64 5.699 -12.074 5.304 1.00 0.00 O ATOM 912 CB PRO A 64 7.779 -10.472 7.579 1.00 0.00 C ATOM 913 CG PRO A 64 8.593 -11.712 7.720 1.00 0.00 C ATOM 914 CD PRO A 64 7.690 -12.728 8.363 1.00 0.00 C ATOM 0 HA PRO A 64 5.582 -10.318 7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.133 -9.858 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.835 -9.858 8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.944 -12.061 6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.476 -11.532 8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.911 -13.738 8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.798 -12.732 9.448 1.00 0.00 H new ATOM 922 N VAL A 65 6.211 -9.887 5.166 1.00 0.00 N ATOM 923 CA VAL A 65 5.963 -9.807 3.732 1.00 0.00 C ATOM 924 C VAL A 65 6.900 -8.804 3.067 1.00 0.00 C ATOM 925 O VAL A 65 6.913 -7.624 3.418 1.00 0.00 O ATOM 926 CB VAL A 65 4.506 -9.405 3.436 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.279 -9.287 1.937 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.542 -10.408 4.052 1.00 0.00 C ATOM 0 H VAL A 65 6.506 -9.009 5.592 1.00 0.00 H new ATOM 0 HA VAL A 65 6.149 -10.800 3.323 1.00 0.00 H new ATOM 0 HB VAL A 65 4.317 -8.430 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.244 -9.002 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.945 -8.528 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.485 -10.246 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.517 -10.109 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.729 -11.397 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.689 -10.438 5.132 1.00 0.00 H new ATOM 938 N ARG A 66 7.683 -9.282 2.105 1.00 0.00 N ATOM 939 CA ARG A 66 8.624 -8.428 1.391 1.00 0.00 C ATOM 940 C ARG A 66 7.904 -7.247 0.746 1.00 0.00 C ATOM 941 O ARG A 66 6.829 -7.403 0.166 1.00 0.00 O ATOM 942 CB ARG A 66 9.367 -9.232 0.323 1.00 0.00 C ATOM 943 CG ARG A 66 8.454 -9.819 -0.741 1.00 0.00 C ATOM 944 CD ARG A 66 9.191 -10.024 -2.056 1.00 0.00 C ATOM 945 NE ARG A 66 9.807 -11.346 -2.138 1.00 0.00 N ATOM 946 CZ ARG A 66 10.786 -11.649 -2.982 1.00 0.00 C ATOM 947 NH1 ARG A 66 11.260 -10.730 -3.812 1.00 0.00 N ATOM 948 NH2 ARG A 66 11.295 -12.875 -2.998 1.00 0.00 N ATOM 0 H ARG A 66 7.684 -10.256 1.802 1.00 0.00 H new ATOM 0 HA ARG A 66 9.345 -8.042 2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.104 -8.588 -0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.916 -10.041 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.055 -10.772 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.604 -9.156 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.495 -9.896 -2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.960 -9.259 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 66 9.466 -12.076 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.872 -9.787 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.012 -10.967 -4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.934 -13.585 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.047 -13.107 -3.647 1.00 0.00 H new ATOM 962 N THR A 67 8.505 -6.066 0.850 1.00 0.00 N ATOM 963 CA THR A 67 7.921 -4.858 0.279 1.00 0.00 C ATOM 964 C THR A 67 8.993 -3.972 -0.345 1.00 0.00 C ATOM 965 O THR A 67 10.148 -3.987 0.080 1.00 0.00 O ATOM 966 CB THR A 67 7.154 -4.048 1.341 1.00 0.00 C ATOM 967 OG1 THR A 67 7.879 -4.050 2.576 1.00 0.00 O ATOM 968 CG2 THR A 67 5.764 -4.625 1.561 1.00 0.00 C ATOM 0 H THR A 67 9.396 -5.920 1.324 1.00 0.00 H new ATOM 0 HA THR A 67 7.223 -5.179 -0.495 1.00 0.00 H new ATOM 0 HB THR A 67 7.052 -3.024 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.386 -3.532 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.241 -4.037 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.205 -4.595 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.848 -5.657 1.900 1.00 0.00 H new ATOM 976 N MET A 68 8.603 -3.200 -1.354 1.00 0.00 N ATOM 977 CA MET A 68 9.531 -2.305 -2.034 1.00 0.00 C ATOM 978 C MET A 68 9.023 -0.867 -2.001 1.00 0.00 C ATOM 979 O MET A 68 7.839 -0.611 -2.222 1.00 0.00 O ATOM 980 CB MET A 68 9.736 -2.752 -3.482 1.00 0.00 C ATOM 981 CG MET A 68 11.099 -2.384 -4.045 1.00 0.00 C ATOM 982 SD MET A 68 12.455 -3.168 -3.152 1.00 0.00 S ATOM 983 CE MET A 68 13.869 -2.423 -3.961 1.00 0.00 C ATOM 0 H MET A 68 7.651 -3.176 -1.719 1.00 0.00 H new ATOM 0 HA MET A 68 10.486 -2.347 -1.510 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.607 -3.833 -3.542 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.962 -2.304 -4.105 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.145 -2.674 -5.095 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.223 -1.302 -4.008 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.787 -2.809 -3.518 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.850 -2.665 -5.024 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.832 -1.341 -3.835 1.00 0.00 H new ATOM 993 N VAL A 69 9.925 0.069 -1.723 1.00 0.00 N ATOM 994 CA VAL A 69 9.568 1.481 -1.663 1.00 0.00 C ATOM 995 C VAL A 69 10.567 2.335 -2.436 1.00 0.00 C ATOM 996 O VAL A 69 11.525 2.856 -1.865 1.00 0.00 O ATOM 997 CB VAL A 69 9.500 1.981 -0.207 1.00 0.00 C ATOM 998 CG1 VAL A 69 9.158 3.463 -0.166 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.488 1.170 0.588 1.00 0.00 C ATOM 0 H VAL A 69 10.909 -0.125 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 69 8.583 1.578 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 69 10.480 1.846 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.114 3.798 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.923 4.028 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.191 3.626 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.453 1.537 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.503 1.271 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.782 0.120 0.588 1.00 0.00 H new ATOM 1009 N GLN A 70 10.336 2.474 -3.737 1.00 0.00 N ATOM 1010 CA GLN A 70 11.217 3.264 -4.589 1.00 0.00 C ATOM 1011 C GLN A 70 10.881 4.749 -4.489 1.00 0.00 C ATOM 1012 O GLN A 70 10.067 5.264 -5.255 1.00 0.00 O ATOM 1013 CB GLN A 70 11.106 2.801 -6.042 1.00 0.00 C ATOM 1014 CG GLN A 70 12.363 3.056 -6.859 1.00 0.00 C ATOM 1015 CD GLN A 70 12.361 2.312 -8.180 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.819 1.212 -8.285 1.00 0.00 O ATOM 1017 NE2 GLN A 70 12.970 2.911 -9.197 1.00 0.00 N ATOM 0 H GLN A 70 9.547 2.050 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 70 12.241 3.117 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.882 1.734 -6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.266 3.311 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.458 4.125 -7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.236 2.756 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.406 3.823 -9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.001 2.459 -10.111 1.00 0.00 H new ATOM 1026 N ASP A 71 11.513 5.431 -3.540 1.00 0.00 N ATOM 1027 CA ASP A 71 11.283 6.857 -3.340 1.00 0.00 C ATOM 1028 C ASP A 71 11.731 7.656 -4.560 1.00 0.00 C ATOM 1029 O ASP A 71 12.905 7.639 -4.927 1.00 0.00 O ATOM 1030 CB ASP A 71 12.023 7.345 -2.095 1.00 0.00 C ATOM 1031 CG ASP A 71 11.449 8.638 -1.550 1.00 0.00 C ATOM 1032 OD1 ASP A 71 10.622 9.260 -2.248 1.00 0.00 O ATOM 1033 OD2 ASP A 71 11.828 9.029 -0.426 1.00 0.00 O ATOM 0 H ASP A 71 12.189 5.019 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 71 10.213 7.011 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.976 6.576 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.076 7.491 -2.336 1.00 0.00 H new ATOM 1038 N ASN A 72 10.787 8.353 -5.184 1.00 0.00 N ATOM 1039 CA ASN A 72 11.085 9.157 -6.364 1.00 0.00 C ATOM 1040 C ASN A 72 11.149 10.640 -6.009 1.00 0.00 C ATOM 1041 O ASN A 72 11.878 11.409 -6.636 1.00 0.00 O ATOM 1042 CB ASN A 72 10.028 8.925 -7.445 1.00 0.00 C ATOM 1043 CG ASN A 72 10.273 7.650 -8.229 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.891 7.671 -9.293 1.00 0.00 O ATOM 1045 ND2 ASN A 72 9.788 6.530 -7.704 1.00 0.00 N ATOM 0 H ASN A 72 9.810 8.377 -4.893 1.00 0.00 H new ATOM 0 HA ASN A 72 12.059 8.850 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.042 8.880 -6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.020 9.773 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.922 5.641 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.282 6.559 -6.819 1.00 0.00 H new ATOM 1052 N LYS A 73 10.381 11.035 -5.000 1.00 0.00 N ATOM 1053 CA LYS A 73 10.350 12.424 -4.559 1.00 0.00 C ATOM 1054 C LYS A 73 9.871 13.340 -5.681 1.00 0.00 C ATOM 1055 O LYS A 73 10.299 14.490 -5.782 1.00 0.00 O ATOM 1056 CB LYS A 73 11.738 12.862 -4.087 1.00 0.00 C ATOM 1057 CG LYS A 73 12.339 11.948 -3.034 1.00 0.00 C ATOM 1058 CD LYS A 73 13.113 10.803 -3.665 1.00 0.00 C ATOM 1059 CE LYS A 73 14.171 10.257 -2.718 1.00 0.00 C ATOM 1060 NZ LYS A 73 15.390 11.114 -2.695 1.00 0.00 N ATOM 0 H LYS A 73 9.771 10.412 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 73 9.650 12.499 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.408 12.903 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.673 13.873 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.001 12.523 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.546 11.548 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.424 10.005 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.588 11.146 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.757 10.187 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.443 9.246 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.087 10.709 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.800 11.160 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.135 12.072 -2.381 1.00 0.00 H new ATOM 1074 N ASP A 74 8.980 12.824 -6.520 1.00 0.00 N ATOM 1075 CA ASP A 74 8.440 13.596 -7.633 1.00 0.00 C ATOM 1076 C ASP A 74 6.927 13.747 -7.507 1.00 0.00 C ATOM 1077 O ASP A 74 6.214 13.806 -8.508 1.00 0.00 O ATOM 1078 CB ASP A 74 8.790 12.927 -8.963 1.00 0.00 C ATOM 1079 CG ASP A 74 8.434 13.791 -10.157 1.00 0.00 C ATOM 1080 OD1 ASP A 74 9.106 14.823 -10.364 1.00 0.00 O ATOM 1081 OD2 ASP A 74 7.484 13.435 -10.885 1.00 0.00 O ATOM 0 H ASP A 74 8.616 11.874 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 74 8.889 14.589 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.857 12.704 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.264 11.975 -9.037 1.00 0.00 H new ATOM 1086 N GLY A 75 6.445 13.808 -6.270 1.00 0.00 N ATOM 1087 CA GLY A 75 5.019 13.950 -6.036 1.00 0.00 C ATOM 1088 C GLY A 75 4.337 12.620 -5.788 1.00 0.00 C ATOM 1089 O GLY A 75 3.349 12.546 -5.057 1.00 0.00 O ATOM 0 H GLY A 75 7.016 13.762 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.858 14.603 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.559 14.436 -6.897 1.00 0.00 H new ATOM 1093 N THR A 76 4.864 11.563 -6.399 1.00 0.00 N ATOM 1094 CA THR A 76 4.298 10.229 -6.243 1.00 0.00 C ATOM 1095 C THR A 76 5.367 9.223 -5.834 1.00 0.00 C ATOM 1096 O THR A 76 6.562 9.516 -5.885 1.00 0.00 O ATOM 1097 CB THR A 76 3.628 9.748 -7.544 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.612 9.587 -8.572 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.565 10.735 -8.002 1.00 0.00 C ATOM 0 H THR A 76 5.682 11.605 -7.007 1.00 0.00 H new ATOM 0 HA THR A 76 3.545 10.295 -5.458 1.00 0.00 H new ATOM 0 HB THR A 76 3.150 8.789 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.178 9.279 -9.395 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.106 10.374 -8.922 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.802 10.832 -7.230 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.024 11.707 -8.183 1.00 0.00 H new ATOM 1107 N TYR A 77 4.931 8.035 -5.428 1.00 0.00 N ATOM 1108 CA TYR A 77 5.851 6.986 -5.008 1.00 0.00 C ATOM 1109 C TYR A 77 5.585 5.691 -5.770 1.00 0.00 C ATOM 1110 O TYR A 77 4.592 5.572 -6.487 1.00 0.00 O ATOM 1111 CB TYR A 77 5.726 6.741 -3.503 1.00 0.00 C ATOM 1112 CG TYR A 77 6.389 7.805 -2.659 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.794 9.048 -2.480 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.611 7.569 -2.041 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.397 10.024 -1.710 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.220 8.538 -1.268 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.609 9.764 -1.106 1.00 0.00 C ATOM 1118 OH TYR A 77 8.214 10.733 -0.338 1.00 0.00 O ATOM 0 H TYR A 77 3.946 7.775 -5.381 1.00 0.00 H new ATOM 0 HA TYR A 77 6.865 7.316 -5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.670 6.686 -3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.166 5.773 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.844 9.255 -2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.093 6.611 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.922 10.985 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.169 8.337 -0.793 1.00 0.00 H new ATOM 0 HH TYR A 77 9.060 10.389 0.016 1.00 0.00 H new ATOM 1128 N TYR A 78 6.480 4.722 -5.608 1.00 0.00 N ATOM 1129 CA TYR A 78 6.345 3.436 -6.280 1.00 0.00 C ATOM 1130 C TYR A 78 6.499 2.285 -5.291 1.00 0.00 C ATOM 1131 O TYR A 78 7.613 1.919 -4.916 1.00 0.00 O ATOM 1132 CB TYR A 78 7.384 3.308 -7.395 1.00 0.00 C ATOM 1133 CG TYR A 78 6.949 2.405 -8.528 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.709 2.566 -9.133 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.778 1.391 -8.992 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.306 1.743 -10.167 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.385 0.565 -10.026 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.148 0.744 -10.611 1.00 0.00 C ATOM 1139 OH TYR A 78 5.752 -0.078 -11.641 1.00 0.00 O ATOM 0 H TYR A 78 7.307 4.804 -5.017 1.00 0.00 H new ATOM 0 HA TYR A 78 5.347 3.385 -6.715 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.600 4.299 -7.794 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.313 2.925 -6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.048 3.348 -8.789 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.746 1.247 -8.536 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.338 1.881 -10.625 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.042 -0.217 -10.375 1.00 0.00 H new ATOM 0 HH TYR A 78 6.461 -0.727 -11.832 1.00 0.00 H new ATOM 1149 N ILE A 79 5.372 1.718 -4.873 1.00 0.00 N ATOM 1150 CA ILE A 79 5.381 0.608 -3.929 1.00 0.00 C ATOM 1151 C ILE A 79 5.012 -0.702 -4.617 1.00 0.00 C ATOM 1152 O ILE A 79 4.109 -0.743 -5.452 1.00 0.00 O ATOM 1153 CB ILE A 79 4.407 0.853 -2.761 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.841 2.079 -1.955 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.331 -0.375 -1.867 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.710 2.733 -1.193 1.00 0.00 C ATOM 0 H ILE A 79 4.442 2.009 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 79 6.395 0.537 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 79 3.414 1.042 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.619 1.784 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.283 2.810 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.639 -0.186 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.980 -1.227 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.320 -0.593 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.091 3.595 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.941 3.059 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.282 2.017 -0.491 1.00 0.00 H new ATOM 1168 N SER A 80 5.716 -1.771 -4.259 1.00 0.00 N ATOM 1169 CA SER A 80 5.465 -3.083 -4.844 1.00 0.00 C ATOM 1170 C SER A 80 5.656 -4.186 -3.807 1.00 0.00 C ATOM 1171 O SER A 80 6.673 -4.232 -3.115 1.00 0.00 O ATOM 1172 CB SER A 80 6.394 -3.321 -6.035 1.00 0.00 C ATOM 1173 OG SER A 80 7.744 -3.421 -5.617 1.00 0.00 O ATOM 0 H SER A 80 6.465 -1.754 -3.567 1.00 0.00 H new ATOM 0 HA SER A 80 4.431 -3.107 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.101 -4.235 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.291 -2.504 -6.749 1.00 0.00 H new ATOM 0 HG SER A 80 8.317 -3.575 -6.397 1.00 0.00 H new ATOM 1179 N TYR A 81 4.671 -5.071 -3.706 1.00 0.00 N ATOM 1180 CA TYR A 81 4.729 -6.173 -2.752 1.00 0.00 C ATOM 1181 C TYR A 81 4.257 -7.474 -3.394 1.00 0.00 C ATOM 1182 O TYR A 81 3.426 -7.467 -4.302 1.00 0.00 O ATOM 1183 CB TYR A 81 3.874 -5.857 -1.524 1.00 0.00 C ATOM 1184 CG TYR A 81 2.389 -6.010 -1.764 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.815 -7.267 -1.908 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.561 -4.898 -1.849 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.459 -7.412 -2.129 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.203 -5.033 -2.068 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.343 -6.292 -2.207 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.694 -6.431 -2.426 1.00 0.00 O ATOM 0 H TYR A 81 3.823 -5.047 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 81 5.766 -6.298 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.171 -6.514 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.078 -4.836 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.440 -8.146 -1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.986 -3.911 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.029 -8.397 -2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.427 -4.158 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.114 -5.546 -2.453 1.00 0.00 H new ATOM 1200 N THR A 82 4.793 -8.592 -2.913 1.00 0.00 N ATOM 1201 CA THR A 82 4.429 -9.901 -3.439 1.00 0.00 C ATOM 1202 C THR A 82 4.222 -10.908 -2.312 1.00 0.00 C ATOM 1203 O THR A 82 5.145 -11.242 -1.569 1.00 0.00 O ATOM 1204 CB THR A 82 5.504 -10.440 -4.402 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.708 -9.514 -5.474 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.097 -11.794 -4.964 1.00 0.00 C ATOM 0 H THR A 82 5.481 -8.616 -2.160 1.00 0.00 H new ATOM 0 HA THR A 82 3.495 -9.773 -3.985 1.00 0.00 H new ATOM 0 HB THR A 82 6.433 -10.561 -3.845 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.393 -9.863 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.871 -12.155 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.970 -12.504 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.157 -11.695 -5.507 1.00 0.00 H new ATOM 1214 N PRO A 83 2.983 -11.404 -2.181 1.00 0.00 N ATOM 1215 CA PRO A 83 2.627 -12.381 -1.147 1.00 0.00 C ATOM 1216 C PRO A 83 3.253 -13.747 -1.401 1.00 0.00 C ATOM 1217 O PRO A 83 3.319 -14.210 -2.540 1.00 0.00 O ATOM 1218 CB PRO A 83 1.102 -12.464 -1.249 1.00 0.00 C ATOM 1219 CG PRO A 83 0.793 -12.066 -2.651 1.00 0.00 C ATOM 1220 CD PRO A 83 1.834 -11.050 -3.032 1.00 0.00 C ATOM 0 HA PRO A 83 2.987 -12.083 -0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.745 -13.472 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.621 -11.798 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.826 -12.928 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.209 -11.644 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.085 -11.109 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.491 -10.033 -2.842 1.00 0.00 H new ATOM 1228 N LYS A 84 3.711 -14.391 -0.333 1.00 0.00 N ATOM 1229 CA LYS A 84 4.331 -15.706 -0.438 1.00 0.00 C ATOM 1230 C LYS A 84 3.281 -16.810 -0.358 1.00 0.00 C ATOM 1231 O LYS A 84 3.401 -17.842 -1.018 1.00 0.00 O ATOM 1232 CB LYS A 84 5.369 -15.894 0.669 1.00 0.00 C ATOM 1233 CG LYS A 84 6.516 -14.900 0.603 1.00 0.00 C ATOM 1234 CD LYS A 84 7.592 -15.355 -0.369 1.00 0.00 C ATOM 1235 CE LYS A 84 8.365 -14.174 -0.936 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.514 -13.324 -1.814 1.00 0.00 N ATOM 0 H LYS A 84 3.664 -14.022 0.617 1.00 0.00 H new ATOM 0 HA LYS A 84 4.827 -15.769 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.876 -15.803 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.772 -16.905 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.137 -13.925 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.949 -14.776 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.280 -16.032 0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.134 -15.917 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.758 -13.571 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.221 -14.539 -1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.055 -13.046 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.671 -13.860 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.221 -12.472 -1.294 1.00 0.00 H new ATOM 1250 N GLU A 85 2.253 -16.585 0.454 1.00 0.00 N ATOM 1251 CA GLU A 85 1.182 -17.562 0.619 1.00 0.00 C ATOM 1252 C GLU A 85 -0.185 -16.902 0.462 1.00 0.00 C ATOM 1253 O GLU A 85 -0.367 -15.718 0.744 1.00 0.00 O ATOM 1254 CB GLU A 85 1.282 -18.234 1.990 1.00 0.00 C ATOM 1255 CG GLU A 85 2.237 -19.415 2.021 1.00 0.00 C ATOM 1256 CD GLU A 85 1.907 -20.403 3.123 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.376 -19.973 4.167 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.179 -21.608 2.939 1.00 0.00 O ATOM 0 H GLU A 85 2.139 -15.736 1.007 1.00 0.00 H new ATOM 0 HA GLU A 85 1.292 -18.319 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.606 -17.496 2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.291 -18.571 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.208 -19.926 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.255 -19.051 2.158 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.170 -17.686 0.000 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.538 -17.201 -0.206 1.00 0.00 C ATOM 1267 C PRO A 86 -3.253 -16.909 1.109 1.00 0.00 C ATOM 1268 O PRO A 86 -2.910 -17.467 2.151 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.218 -18.359 -0.939 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.444 -19.568 -0.540 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.025 -19.108 -0.356 1.00 0.00 C ATOM 0 HA PRO A 86 -2.559 -16.260 -0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.266 -18.448 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.194 -18.212 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.838 -19.997 0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.507 -20.342 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.519 -19.669 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.440 -19.237 -1.267 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.250 -16.032 1.053 1.00 0.00 N ATOM 1280 CA GLY A 87 -4.999 -15.682 2.246 1.00 0.00 C ATOM 1281 C GLY A 87 -5.249 -14.191 2.357 1.00 0.00 C ATOM 1282 O GLY A 87 -4.956 -13.434 1.431 1.00 0.00 O ATOM 0 H GLY A 87 -4.553 -15.557 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.954 -16.208 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.454 -16.022 3.126 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.795 -13.767 3.493 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.085 -12.356 3.721 1.00 0.00 C ATOM 1288 C VAL A 88 -4.875 -11.633 4.303 1.00 0.00 C ATOM 1289 O VAL A 88 -4.146 -12.185 5.127 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.283 -12.177 4.673 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.050 -12.932 5.973 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.533 -10.701 4.942 1.00 0.00 C ATOM 0 H VAL A 88 -6.045 -14.380 4.269 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.332 -11.922 2.752 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.170 -12.591 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.907 -12.794 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.924 -13.993 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.152 -12.551 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.383 -10.593 5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.648 -10.260 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.748 -10.191 4.003 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.668 -10.395 3.868 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.545 -9.596 4.344 1.00 0.00 C ATOM 1304 C TYR A 89 -4.000 -8.192 4.728 1.00 0.00 C ATOM 1305 O TYR A 89 -5.080 -7.747 4.338 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.458 -9.516 3.271 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.678 -10.801 3.102 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.310 -11.973 2.706 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.309 -10.841 3.337 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.602 -13.149 2.551 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.407 -12.013 3.183 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.243 -13.164 2.791 1.00 0.00 C ATOM 1313 OH TYR A 89 0.466 -14.333 2.636 1.00 0.00 O ATOM 0 H TYR A 89 -5.263 -9.923 3.187 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.136 -10.081 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.918 -9.252 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.767 -8.712 3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.373 -11.965 2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.204 -9.942 3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.109 -14.052 2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.471 -12.027 3.369 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.055 -14.962 2.094 1.00 0.00 H new ATOM 1323 N THR A 90 -3.167 -7.497 5.497 1.00 0.00 N ATOM 1324 CA THR A 90 -3.482 -6.143 5.936 1.00 0.00 C ATOM 1325 C THR A 90 -2.383 -5.166 5.536 1.00 0.00 C ATOM 1326 O THR A 90 -1.314 -5.134 6.146 1.00 0.00 O ATOM 1327 CB THR A 90 -3.679 -6.079 7.462 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.294 -7.286 7.927 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.540 -4.885 7.847 1.00 0.00 C ATOM 0 H THR A 90 -2.269 -7.850 5.829 1.00 0.00 H new ATOM 0 HA THR A 90 -4.413 -5.860 5.445 1.00 0.00 H new ATOM 0 HB THR A 90 -2.700 -5.967 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.414 -7.239 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.665 -4.861 8.930 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.056 -3.966 7.517 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.517 -4.972 7.371 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.651 -4.368 4.507 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.685 -3.388 4.026 1.00 0.00 C ATOM 1339 C VAL A 91 -1.700 -2.132 4.890 1.00 0.00 C ATOM 1340 O VAL A 91 -2.625 -1.324 4.812 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.965 -2.995 2.563 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.889 -2.051 2.049 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -2.061 -4.235 1.688 1.00 0.00 C ATOM 0 H VAL A 91 -3.530 -4.381 3.990 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.702 -3.856 4.087 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.922 -2.474 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.103 -1.784 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.874 -1.149 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.082 -2.542 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.259 -3.939 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.121 -4.786 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.871 -4.870 2.045 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.670 -1.975 5.714 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.565 -0.817 6.593 1.00 0.00 C ATOM 1355 C TRP A 92 0.079 0.360 5.868 1.00 0.00 C ATOM 1356 O TRP A 92 1.287 0.371 5.633 1.00 0.00 O ATOM 1357 CB TRP A 92 0.248 -1.169 7.840 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.500 -2.030 8.813 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.395 -3.018 8.514 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.420 -1.977 10.242 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.876 -3.582 9.671 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.293 -2.962 10.744 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.305 -1.195 11.145 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.459 -3.183 12.109 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.139 -1.415 12.499 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.736 -2.402 12.971 1.00 0.00 C ATOM 0 H TRP A 92 0.104 -2.635 5.791 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.572 -0.528 6.894 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.160 -1.683 7.537 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.552 -0.249 8.339 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.682 -3.312 7.515 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.557 -4.340 9.722 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.983 -0.432 10.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.134 -3.943 12.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.694 -0.816 13.206 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.843 -2.550 14.036 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.735 1.350 5.517 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.245 2.533 4.820 1.00 0.00 C ATOM 1379 C VAL A 93 -0.503 3.797 5.632 1.00 0.00 C ATOM 1380 O VAL A 93 -1.637 4.270 5.719 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.903 2.682 3.435 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.435 3.960 2.756 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.603 1.468 2.569 1.00 0.00 C ATOM 0 H VAL A 93 -1.738 1.356 5.704 1.00 0.00 H new ATOM 0 HA VAL A 93 0.829 2.401 4.691 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.983 2.745 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.910 4.048 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.706 4.819 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.647 3.930 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.076 1.590 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.475 1.371 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.993 0.572 3.051 1.00 0.00 H new ATOM 1393 N CYS A 94 0.554 4.339 6.225 1.00 0.00 N ATOM 1394 CA CYS A 94 0.442 5.549 7.032 1.00 0.00 C ATOM 1395 C CYS A 94 1.566 6.527 6.704 1.00 0.00 C ATOM 1396 O CYS A 94 2.680 6.119 6.372 1.00 0.00 O ATOM 1397 CB CYS A 94 0.472 5.199 8.520 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.627 3.839 8.981 1.00 0.00 S ATOM 0 H CYS A 94 1.499 3.960 6.162 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.510 6.026 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.493 4.938 8.800 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.199 6.083 9.096 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.530 3.616 10.258 1.00 0.00 H new ATOM 1404 N ILE A 95 1.266 7.818 6.798 1.00 0.00 N ATOM 1405 CA ILE A 95 2.251 8.853 6.511 1.00 0.00 C ATOM 1406 C ILE A 95 2.424 9.792 7.701 1.00 0.00 C ATOM 1407 O ILE A 95 1.450 10.326 8.232 1.00 0.00 O ATOM 1408 CB ILE A 95 1.854 9.680 5.274 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.850 8.797 4.024 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.804 10.855 5.095 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.336 9.501 2.788 1.00 0.00 C ATOM 0 H ILE A 95 0.349 8.172 7.071 1.00 0.00 H new ATOM 0 HA ILE A 95 3.194 8.344 6.311 1.00 0.00 H new ATOM 0 HB ILE A 95 0.848 10.071 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.864 8.443 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.235 7.917 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.510 11.430 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.763 11.494 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.820 10.484 4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.362 8.815 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.311 9.831 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.964 10.365 2.574 1.00 0.00 H new ATOM 1423 N LYS A 96 3.672 9.990 8.114 1.00 0.00 N ATOM 1424 CA LYS A 96 3.975 10.866 9.239 1.00 0.00 C ATOM 1425 C LYS A 96 3.256 10.401 10.501 1.00 0.00 C ATOM 1426 O LYS A 96 2.698 11.210 11.242 1.00 0.00 O ATOM 1427 CB LYS A 96 3.575 12.307 8.912 1.00 0.00 C ATOM 1428 CG LYS A 96 4.610 13.055 8.090 1.00 0.00 C ATOM 1429 CD LYS A 96 4.244 14.521 7.932 1.00 0.00 C ATOM 1430 CE LYS A 96 5.176 15.227 6.960 1.00 0.00 C ATOM 1431 NZ LYS A 96 4.963 16.701 6.958 1.00 0.00 N ATOM 0 H LYS A 96 4.489 9.555 7.686 1.00 0.00 H new ATOM 0 HA LYS A 96 5.049 10.825 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.630 12.298 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.403 12.847 9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.585 12.972 8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.698 12.593 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.216 14.604 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.288 15.015 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.210 15.010 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.017 14.836 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.617 17.145 6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.983 16.910 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.140 17.079 7.911 1.00 0.00 H new ATOM 1445 N GLU A 97 3.274 9.093 10.739 1.00 0.00 N ATOM 1446 CA GLU A 97 2.624 8.522 11.913 1.00 0.00 C ATOM 1447 C GLU A 97 1.125 8.810 11.898 1.00 0.00 C ATOM 1448 O GLU A 97 0.544 9.179 12.918 1.00 0.00 O ATOM 1449 CB GLU A 97 3.249 9.081 13.193 1.00 0.00 C ATOM 1450 CG GLU A 97 4.537 8.384 13.595 1.00 0.00 C ATOM 1451 CD GLU A 97 5.464 9.285 14.389 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.282 9.386 15.620 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.371 9.889 13.779 1.00 0.00 O ATOM 0 H GLU A 97 3.731 8.410 10.135 1.00 0.00 H new ATOM 0 HA GLU A 97 2.770 7.442 11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.448 10.144 13.056 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.529 8.994 14.007 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.298 7.501 14.188 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.053 8.037 12.700 1.00 0.00 H new ATOM 1460 N GLN A 98 0.507 8.638 10.734 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.923 8.881 10.585 1.00 0.00 C ATOM 1462 C GLN A 98 -1.503 8.040 9.453 1.00 0.00 C ATOM 1463 O GLN A 98 -0.998 8.060 8.330 1.00 0.00 O ATOM 1464 CB GLN A 98 -1.186 10.364 10.321 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.652 11.280 11.411 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.804 12.748 11.066 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.906 13.221 10.784 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.304 13.479 11.086 1.00 0.00 N ATOM 0 H GLN A 98 0.974 8.331 9.881 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.413 8.593 11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.732 10.641 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.260 10.522 10.219 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.177 11.074 12.343 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.401 11.058 11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.196 13.046 11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.263 14.473 10.862 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.566 7.301 9.755 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.215 6.453 8.762 1.00 0.00 C ATOM 1479 C HIS A 99 -3.912 7.297 7.699 1.00 0.00 C ATOM 1480 O HIS A 99 -4.838 8.050 7.999 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.226 5.524 9.436 1.00 0.00 C ATOM 1482 CG HIS A 99 -5.535 6.184 9.742 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.709 5.862 9.095 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.851 7.153 10.633 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -7.691 6.605 9.574 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -7.196 7.397 10.509 1.00 0.00 N ATOM 0 H HIS A 99 -2.996 7.272 10.680 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.447 5.851 8.277 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.404 4.665 8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.796 5.143 10.362 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.805 5.160 8.361 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.171 7.643 11.315 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.722 6.571 9.256 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.460 7.165 6.456 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.040 7.915 5.348 1.00 0.00 C ATOM 1497 C VAL A 100 -5.478 7.484 5.086 1.00 0.00 C ATOM 1498 O VAL A 100 -6.015 6.624 5.784 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.218 7.736 4.058 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.760 8.098 4.298 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.344 6.312 3.540 1.00 0.00 C ATOM 0 H VAL A 100 -2.694 6.546 6.191 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.026 8.966 5.635 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.614 8.411 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.195 7.965 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.691 9.137 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.347 7.451 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.757 6.203 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.975 5.617 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.390 6.094 3.326 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.096 8.086 4.075 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.473 7.763 3.720 1.00 0.00 C ATOM 1513 C GLN A 101 -7.569 6.358 3.135 1.00 0.00 C ATOM 1514 O GLN A 101 -6.643 5.882 2.480 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.016 8.784 2.719 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.431 8.484 2.252 1.00 0.00 C ATOM 1517 CD GLN A 101 -10.114 9.693 1.644 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -11.056 10.242 2.217 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -9.642 10.116 0.477 1.00 0.00 N ATOM 0 H GLN A 101 -5.665 8.800 3.487 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.075 7.800 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.995 9.774 3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.356 8.818 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.404 7.679 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.020 8.125 3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.860 9.631 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.062 10.926 0.020 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.698 5.698 3.376 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.895 4.354 2.866 1.00 0.00 C ATOM 1530 C GLY A 102 -7.778 3.412 3.270 1.00 0.00 C ATOM 1531 O GLY A 102 -7.301 2.619 2.458 1.00 0.00 O ATOM 0 H GLY A 102 -9.480 6.070 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.845 3.965 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.963 4.387 1.779 1.00 0.00 H new ATOM 1535 N SER A 103 -7.359 3.498 4.529 1.00 0.00 N ATOM 1536 CA SER A 103 -6.287 2.650 5.037 1.00 0.00 C ATOM 1537 C SER A 103 -6.282 2.638 6.563 1.00 0.00 C ATOM 1538 O SER A 103 -6.676 3.603 7.218 1.00 0.00 O ATOM 1539 CB SER A 103 -4.933 3.135 4.515 1.00 0.00 C ATOM 1540 OG SER A 103 -4.640 2.563 3.252 1.00 0.00 O ATOM 0 H SER A 103 -7.746 4.146 5.215 1.00 0.00 H new ATOM 0 HA SER A 103 -6.462 1.634 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.939 4.222 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.150 2.873 5.227 1.00 0.00 H new ATOM 0 HG SER A 103 -5.463 2.496 2.724 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.825 1.519 7.143 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.354 0.363 6.374 1.00 0.00 C ATOM 1548 C PRO A 104 -6.490 -0.356 5.655 1.00 0.00 C ATOM 1549 O PRO A 104 -7.662 -0.165 5.978 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.735 -0.545 7.439 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.432 -0.175 8.703 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.733 1.294 8.596 1.00 0.00 C ATOM 0 HA PRO A 104 -4.658 0.654 5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.885 -1.597 7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.660 -0.386 7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.348 -0.753 8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.804 -0.383 9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.663 1.551 9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.947 1.899 9.047 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.135 -1.185 4.678 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.126 -1.933 3.913 1.00 0.00 C ATOM 1562 C PHE A 105 -6.746 -3.409 3.828 1.00 0.00 C ATOM 1563 O PHE A 105 -5.565 -3.759 3.816 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.263 -1.348 2.506 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.982 -1.369 1.721 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.557 -2.529 1.095 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.204 -0.228 1.610 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.379 -2.551 0.371 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.026 -0.244 0.888 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.612 -1.407 0.269 1.00 0.00 C ATOM 0 H PHE A 105 -5.169 -1.355 4.398 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.083 -1.851 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.023 -1.908 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.617 -0.320 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.152 -3.427 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.522 0.684 2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.059 -3.461 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.429 0.653 0.808 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.690 -1.422 -0.294 1.00 0.00 H new ATOM 1580 N THR A 106 -7.756 -4.271 3.770 1.00 0.00 N ATOM 1581 CA THR A 106 -7.530 -5.709 3.688 1.00 0.00 C ATOM 1582 C THR A 106 -7.356 -6.156 2.241 1.00 0.00 C ATOM 1583 O THR A 106 -7.950 -5.583 1.327 1.00 0.00 O ATOM 1584 CB THR A 106 -8.692 -6.497 4.320 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.051 -5.916 5.579 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.310 -7.956 4.521 1.00 0.00 C ATOM 0 H THR A 106 -8.739 -3.998 3.778 1.00 0.00 H new ATOM 0 HA THR A 106 -6.615 -5.917 4.243 1.00 0.00 H new ATOM 0 HB THR A 106 -9.544 -6.450 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 106 -9.792 -6.422 5.973 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.146 -8.493 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.065 -8.404 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.444 -8.018 5.181 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.537 -7.183 2.039 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.286 -7.709 0.702 1.00 0.00 C ATOM 1596 C VAL A 107 -6.439 -9.226 0.670 1.00 0.00 C ATOM 1597 O VAL A 107 -5.905 -9.933 1.525 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.875 -7.336 0.208 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.552 -8.066 -1.086 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.757 -5.831 0.024 1.00 0.00 C ATOM 0 H VAL A 107 -6.036 -7.667 2.784 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.026 -7.258 0.041 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.151 -7.645 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.552 -7.790 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.594 -9.142 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.278 -7.790 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.754 -5.585 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.490 -5.496 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.943 -5.332 0.975 1.00 0.00 H new ATOM 1610 N THR A 108 -7.172 -9.720 -0.322 1.00 0.00 N ATOM 1611 CA THR A 108 -7.396 -11.153 -0.466 1.00 0.00 C ATOM 1612 C THR A 108 -6.493 -11.746 -1.542 1.00 0.00 C ATOM 1613 O THR A 108 -6.599 -11.396 -2.718 1.00 0.00 O ATOM 1614 CB THR A 108 -8.864 -11.459 -0.818 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.708 -11.165 0.301 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.032 -12.918 -1.216 1.00 0.00 C ATOM 0 H THR A 108 -7.621 -9.149 -1.038 1.00 0.00 H new ATOM 0 HA THR A 108 -7.158 -11.608 0.495 1.00 0.00 H new ATOM 0 HB THR A 108 -9.150 -10.833 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.640 -11.361 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.077 -13.111 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.411 -13.132 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.729 -13.558 -0.388 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.605 -12.646 -1.133 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.684 -13.289 -2.063 1.00 0.00 C ATOM 1626 C VAL A 109 -5.243 -14.618 -2.558 1.00 0.00 C ATOM 1627 O VAL A 109 -5.729 -15.431 -1.771 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.309 -13.533 -1.413 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.335 -14.115 -2.426 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.765 -12.243 -0.819 1.00 0.00 C ATOM 0 H VAL A 109 -5.504 -12.947 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.563 -12.611 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.431 -14.255 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.369 -14.281 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.722 -15.063 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.215 -13.419 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.793 -12.433 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.657 -11.497 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.454 -11.873 -0.060 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.170 -14.834 -3.868 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.669 -16.065 -4.468 1.00 0.00 C ATOM 1642 C ARG A 110 -4.516 -16.980 -4.870 1.00 0.00 C ATOM 1643 O ARG A 110 -3.353 -16.688 -4.592 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.532 -15.747 -5.691 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.586 -14.682 -5.433 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.891 -15.295 -4.951 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.917 -14.282 -4.715 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.510 -13.597 -5.686 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.181 -13.814 -6.952 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -11.434 -12.692 -5.391 1.00 0.00 N ATOM 0 H ARG A 110 -4.770 -14.172 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.278 -16.581 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.886 -15.417 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.025 -16.660 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.217 -13.977 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.764 -14.116 -6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.251 -16.010 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.712 -15.851 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.193 -14.090 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.471 -14.509 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.638 -13.286 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.689 -12.522 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.889 -12.166 -6.137 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.848 -18.088 -5.525 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.841 -19.046 -5.963 1.00 0.00 C ATOM 1666 C ARG A 111 -3.589 -18.923 -7.463 1.00 0.00 C ATOM 1667 O ARG A 111 -4.473 -19.194 -8.277 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.281 -20.472 -5.624 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.583 -20.882 -6.293 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.302 -21.960 -5.496 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.679 -23.270 -5.661 1.00 0.00 N ATOM 1672 CZ ARG A 111 -6.242 -24.406 -5.266 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -7.434 -24.393 -4.687 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.611 -25.560 -5.450 1.00 0.00 N ATOM 0 H ARG A 111 -5.806 -18.344 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.912 -18.825 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.495 -21.166 -5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.393 -20.562 -4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -6.230 -20.011 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.377 -21.248 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.303 -21.690 -4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.344 -22.011 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.761 -23.315 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.922 -23.509 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.864 -25.267 -4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.693 -25.574 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.044 -26.432 -5.146 1.00 0.00 H new