USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 424 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 Single : A 14 CYS SG : rot -74:sc= -3.16 USER MOD Single : A 22 ASN : amide:sc= -1.56 K(o=-1.6,f=-8.2!) USER MOD Single : A 23 GLN : amide:sc= -0.245 K(o=-0.25,f=-1.6!) USER MOD Single : A 25 ASN : amide:sc= -0.939 K(o=-0.94,f=-2.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.017) USER MOD Single : A 50 TYR OH : rot -179:sc= -0.29 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 63 HIS : no HE2:sc= -3.32! K(o=-3.3!,f=-2.8) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.421 -4.929 -0.589 1.00 0.00 N ATOM 56 CA GLY A 7 9.110 -5.363 -1.037 1.00 0.00 C ATOM 57 C GLY A 7 9.124 -6.845 -1.418 1.00 0.00 C ATOM 58 O GLY A 7 8.637 -7.221 -2.483 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.377 -5.194 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.799 -4.766 -1.894 1.00 0.00 H new ATOM 62 N GLY A 8 9.685 -7.648 -0.525 1.00 0.00 N ATOM 63 CA GLY A 8 9.769 -9.080 -0.754 1.00 0.00 C ATOM 64 C GLY A 8 8.506 -9.600 -1.444 1.00 0.00 C ATOM 65 O GLY A 8 8.499 -9.812 -2.655 1.00 0.00 O ATOM 0 H GLY A 8 10.086 -7.333 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.641 -9.303 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.908 -9.596 0.196 1.00 0.00 H new ATOM 69 N GLU A 9 7.469 -9.790 -0.642 1.00 0.00 N ATOM 70 CA GLU A 9 6.202 -10.279 -1.160 1.00 0.00 C ATOM 71 C GLU A 9 5.039 -9.501 -0.543 1.00 0.00 C ATOM 72 O GLU A 9 4.978 -9.330 0.674 1.00 0.00 O ATOM 73 CB GLU A 9 6.052 -11.782 -0.908 1.00 0.00 C ATOM 74 CG GLU A 9 5.533 -12.052 0.506 1.00 0.00 C ATOM 75 CD GLU A 9 6.011 -13.413 1.014 1.00 0.00 C ATOM 76 OE1 GLU A 9 5.317 -14.408 0.710 1.00 0.00 O ATOM 77 OE2 GLU A 9 7.059 -13.430 1.694 1.00 0.00 O ATOM 0 H GLU A 9 7.480 -9.614 0.363 1.00 0.00 H new ATOM 0 HA GLU A 9 6.187 -10.120 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.366 -12.210 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.014 -12.275 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.877 -11.267 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.443 -12.021 0.510 1.00 0.00 H new ATOM 82 N ILE A 10 4.143 -9.052 -1.410 1.00 0.00 N ATOM 83 CA ILE A 10 2.985 -8.295 -0.964 1.00 0.00 C ATOM 84 C ILE A 10 2.068 -9.209 -0.149 1.00 0.00 C ATOM 85 O ILE A 10 1.399 -10.079 -0.704 1.00 0.00 O ATOM 86 CB ILE A 10 2.290 -7.630 -2.154 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.030 -6.361 -2.582 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.816 -7.359 -1.847 1.00 0.00 C ATOM 89 CD1 ILE A 10 2.811 -5.232 -1.572 1.00 0.00 C ATOM 0 H ILE A 10 4.195 -9.198 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 10 3.291 -7.481 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 10 2.321 -8.320 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.096 -6.570 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.681 -6.047 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.346 -6.886 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.311 -8.300 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.740 -6.698 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.348 -4.342 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.746 -5.009 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.183 -5.541 -0.595 1.00 0.00 H new ATOM 100 N ILE A 11 2.067 -8.980 1.156 1.00 0.00 N ATOM 101 CA ILE A 11 1.243 -9.771 2.054 1.00 0.00 C ATOM 102 C ILE A 11 0.049 -8.932 2.516 1.00 0.00 C ATOM 103 O ILE A 11 -0.010 -7.732 2.253 1.00 0.00 O ATOM 104 CB ILE A 11 2.085 -10.327 3.204 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.519 -9.210 4.156 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.279 -11.123 2.674 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.449 -8.951 5.219 1.00 0.00 C ATOM 0 H ILE A 11 2.624 -8.258 1.613 1.00 0.00 H new ATOM 0 HA ILE A 11 0.841 -10.641 1.535 1.00 0.00 H new ATOM 0 HB ILE A 11 1.466 -11.017 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.458 -9.482 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.704 -8.297 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.861 -11.507 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.921 -11.956 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.907 -10.474 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.781 -8.153 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.518 -8.656 4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.284 -9.860 5.798 1.00 0.00 H new ATOM 118 N GLU A 12 -0.873 -9.598 3.196 1.00 0.00 N ATOM 119 CA GLU A 12 -2.061 -8.930 3.697 1.00 0.00 C ATOM 120 C GLU A 12 -1.721 -8.100 4.937 1.00 0.00 C ATOM 121 O GLU A 12 -1.209 -8.630 5.922 1.00 0.00 O ATOM 122 CB GLU A 12 -3.172 -9.938 3.999 1.00 0.00 C ATOM 123 CG GLU A 12 -3.566 -10.713 2.741 1.00 0.00 C ATOM 124 CD GLU A 12 -4.515 -11.865 3.080 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.600 -11.565 3.621 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.131 -13.019 2.792 1.00 0.00 O ATOM 0 H GLU A 12 -0.821 -10.594 3.411 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.428 -8.256 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.838 -10.633 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.043 -9.417 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.045 -10.040 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.672 -11.105 2.256 1.00 0.00 H new ATOM 131 N GLY A 13 -2.020 -6.812 4.849 1.00 0.00 N ATOM 132 CA GLY A 13 -1.753 -5.905 5.951 1.00 0.00 C ATOM 133 C GLY A 13 -0.784 -4.800 5.529 1.00 0.00 C ATOM 134 O GLY A 13 -0.787 -3.712 6.105 1.00 0.00 O ATOM 0 H GLY A 13 -2.445 -6.376 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.687 -5.462 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.334 -6.460 6.790 1.00 0.00 H new ATOM 138 N CYS A 14 0.023 -5.116 4.526 1.00 0.00 N ATOM 139 CA CYS A 14 0.996 -4.163 4.020 1.00 0.00 C ATOM 140 C CYS A 14 0.262 -2.867 3.670 1.00 0.00 C ATOM 141 O CYS A 14 -0.863 -2.900 3.175 1.00 0.00 O ATOM 142 CB CYS A 14 1.767 -4.723 2.823 1.00 0.00 C ATOM 143 SG CYS A 14 3.162 -5.754 3.404 1.00 0.00 S ATOM 0 H CYS A 14 0.023 -6.018 4.051 1.00 0.00 H new ATOM 0 HA CYS A 14 1.743 -3.961 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.101 -5.317 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.140 -3.906 2.206 1.00 0.00 H new ATOM 0 HG CYS A 14 4.100 -4.988 3.877 1.00 0.00 H new ATOM 148 N ARG A 15 0.929 -1.754 3.942 1.00 0.00 N ATOM 149 CA ARG A 15 0.354 -0.450 3.662 1.00 0.00 C ATOM 150 C ARG A 15 1.223 0.310 2.658 1.00 0.00 C ATOM 151 O ARG A 15 2.400 0.561 2.916 1.00 0.00 O ATOM 152 CB ARG A 15 0.223 0.380 4.942 1.00 0.00 C ATOM 153 CG ARG A 15 -1.136 0.150 5.606 1.00 0.00 C ATOM 154 CD ARG A 15 -1.434 1.243 6.636 1.00 0.00 C ATOM 155 NE ARG A 15 -1.544 0.650 7.986 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.495 0.394 8.781 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.746 0.678 8.365 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.690 -0.146 9.992 1.00 0.00 N ATOM 0 H ARG A 15 1.862 -1.729 4.353 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.639 -0.609 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.021 0.114 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.343 1.438 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.918 0.137 4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.147 -0.826 6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.643 1.992 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.361 1.754 6.378 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.475 0.422 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.893 1.089 7.443 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.544 0.483 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.636 -0.362 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.107 -0.341 10.598 1.00 0.00 H new ATOM 169 N LEU A 16 0.611 0.652 1.534 1.00 0.00 N ATOM 170 CA LEU A 16 1.314 1.378 0.490 1.00 0.00 C ATOM 171 C LEU A 16 0.330 2.294 -0.241 1.00 0.00 C ATOM 172 O LEU A 16 -0.870 2.026 -0.266 1.00 0.00 O ATOM 173 CB LEU A 16 2.051 0.406 -0.434 1.00 0.00 C ATOM 174 CG LEU A 16 1.522 -1.029 -0.457 1.00 0.00 C ATOM 175 CD1 LEU A 16 -0.008 -1.050 -0.447 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.098 -1.808 -1.642 1.00 0.00 C ATOM 0 H LEU A 16 -0.364 0.440 1.323 1.00 0.00 H new ATOM 0 HA LEU A 16 2.083 2.017 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.014 0.802 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.100 0.381 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 16 1.857 -1.530 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.358 -2.082 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.373 -0.558 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.385 -0.525 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.706 -2.825 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.815 -1.317 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.185 -1.838 -1.564 1.00 0.00 H new ATOM 187 N PRO A 17 0.889 3.383 -0.831 1.00 0.00 N ATOM 188 CA PRO A 17 0.074 4.341 -1.561 1.00 0.00 C ATOM 189 C PRO A 17 -0.348 3.778 -2.918 1.00 0.00 C ATOM 190 O PRO A 17 0.472 3.660 -3.828 1.00 0.00 O ATOM 191 CB PRO A 17 0.938 5.586 -1.675 1.00 0.00 C ATOM 192 CG PRO A 17 2.365 5.129 -1.420 1.00 0.00 C ATOM 193 CD PRO A 17 2.306 3.733 -0.820 1.00 0.00 C ATOM 0 HA PRO A 17 -0.864 4.569 -1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.843 6.038 -2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.634 6.340 -0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.935 5.122 -2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.870 5.816 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.893 3.025 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.709 3.720 0.193 1.00 0.00 H new ATOM 198 N VAL A 18 -1.627 3.446 -3.015 1.00 0.00 N ATOM 199 CA VAL A 18 -2.169 2.899 -4.247 1.00 0.00 C ATOM 200 C VAL A 18 -2.679 4.043 -5.126 1.00 0.00 C ATOM 201 O VAL A 18 -3.650 4.712 -4.776 1.00 0.00 O ATOM 202 CB VAL A 18 -3.247 1.861 -3.930 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.978 1.424 -5.201 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.650 0.657 -3.198 1.00 0.00 C ATOM 0 H VAL A 18 -2.305 3.546 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.393 2.379 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.977 2.327 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.739 0.686 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.452 2.290 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.265 0.985 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.437 -0.066 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.889 0.191 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.197 0.987 -2.263 1.00 0.00 H new ATOM 214 N LEU A 19 -2.004 4.230 -6.250 1.00 0.00 N ATOM 215 CA LEU A 19 -2.377 5.280 -7.181 1.00 0.00 C ATOM 216 C LEU A 19 -3.895 5.268 -7.375 1.00 0.00 C ATOM 217 O LEU A 19 -4.482 4.219 -7.638 1.00 0.00 O ATOM 218 CB LEU A 19 -1.590 5.145 -8.485 1.00 0.00 C ATOM 219 CG LEU A 19 -1.949 6.138 -9.593 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.121 7.419 -9.471 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.809 5.495 -10.974 1.00 0.00 C ATOM 0 H LEU A 19 -1.200 3.671 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.114 6.258 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.529 5.252 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.733 4.135 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.996 6.418 -9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.396 8.107 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.315 7.887 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.061 7.176 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.070 6.223 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.780 5.167 -11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.477 4.637 -11.045 1.00 0.00 H new ATOM 232 N ARG A 20 -4.487 6.445 -7.240 1.00 0.00 N ATOM 233 CA ARG A 20 -5.925 6.583 -7.396 1.00 0.00 C ATOM 234 C ARG A 20 -6.265 7.950 -7.994 1.00 0.00 C ATOM 235 O ARG A 20 -6.090 8.977 -7.341 1.00 0.00 O ATOM 236 CB ARG A 20 -6.644 6.427 -6.054 1.00 0.00 C ATOM 237 CG ARG A 20 -8.057 5.876 -6.250 1.00 0.00 C ATOM 238 CD ARG A 20 -8.990 6.949 -6.815 1.00 0.00 C ATOM 239 NE ARG A 20 -9.325 6.639 -8.223 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.178 5.674 -8.596 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.784 4.920 -7.670 1.00 0.00 N ATOM 242 NH2 ARG A 20 -10.421 5.463 -9.897 1.00 0.00 N ATOM 0 H ARG A 20 -3.997 7.313 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.262 5.794 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.075 5.758 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.693 7.392 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.028 5.022 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.446 5.515 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.901 7.001 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.513 7.927 -6.753 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.880 7.193 -8.954 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.597 5.080 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.433 4.186 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.957 6.036 -10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.070 4.729 -10.182 1.00 0.00 H new ATOM 253 N ARG A 21 -6.745 7.917 -9.228 1.00 0.00 N ATOM 254 CA ARG A 21 -7.112 9.141 -9.921 1.00 0.00 C ATOM 255 C ARG A 21 -8.511 9.592 -9.498 1.00 0.00 C ATOM 256 O ARG A 21 -9.505 8.956 -9.849 1.00 0.00 O ATOM 257 CB ARG A 21 -7.084 8.945 -11.438 1.00 0.00 C ATOM 258 CG ARG A 21 -5.664 9.106 -11.986 1.00 0.00 C ATOM 259 CD ARG A 21 -5.679 9.283 -13.505 1.00 0.00 C ATOM 260 NE ARG A 21 -4.647 8.423 -14.125 1.00 0.00 N ATOM 261 CZ ARG A 21 -4.147 8.614 -15.353 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.580 9.639 -16.100 1.00 0.00 N ATOM 263 NH2 ARG A 21 -3.214 7.782 -15.834 1.00 0.00 N ATOM 0 H ARG A 21 -6.888 7.063 -9.766 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.383 9.905 -9.651 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.464 7.954 -11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.746 9.669 -11.914 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.186 9.968 -11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.068 8.232 -11.724 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.662 9.027 -13.899 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.495 10.327 -13.760 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.294 7.634 -13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.290 10.273 -15.733 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.200 9.785 -17.035 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.884 7.002 -15.265 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.834 7.928 -16.769 1.00 0.00 H new ATOM 274 N ASN A 22 -8.547 10.685 -8.751 1.00 0.00 N ATOM 275 CA ASN A 22 -9.808 11.228 -8.276 1.00 0.00 C ATOM 276 C ASN A 22 -10.556 11.865 -9.448 1.00 0.00 C ATOM 277 O ASN A 22 -10.069 11.859 -10.578 1.00 0.00 O ATOM 278 CB ASN A 22 -9.579 12.309 -7.218 1.00 0.00 C ATOM 279 CG ASN A 22 -8.465 13.267 -7.644 1.00 0.00 C ATOM 280 OD1 ASN A 22 -8.531 13.919 -8.674 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.440 13.315 -6.798 1.00 0.00 N ATOM 0 H ASN A 22 -7.722 11.210 -8.462 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.383 10.412 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.502 12.867 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.319 11.843 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.645 13.924 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.448 12.743 -5.954 1.00 0.00 H new ATOM 287 N GLN A 23 -11.729 12.400 -9.140 1.00 0.00 N ATOM 288 CA GLN A 23 -12.550 13.039 -10.153 1.00 0.00 C ATOM 289 C GLN A 23 -11.700 13.981 -11.009 1.00 0.00 C ATOM 290 O GLN A 23 -11.630 13.825 -12.226 1.00 0.00 O ATOM 291 CB GLN A 23 -13.724 13.787 -9.517 1.00 0.00 C ATOM 292 CG GLN A 23 -14.793 14.118 -10.560 1.00 0.00 C ATOM 293 CD GLN A 23 -15.955 13.124 -10.490 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.279 12.582 -9.446 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.560 12.917 -11.655 1.00 0.00 N ATOM 0 H GLN A 23 -12.130 12.404 -8.202 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.963 12.264 -10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.160 13.179 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.366 14.706 -9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.165 15.129 -10.396 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.352 14.098 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.237 13.404 -12.491 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.347 12.271 -11.713 1.00 0.00 H new ATOM 302 N ASP A 24 -11.076 14.937 -10.337 1.00 0.00 N ATOM 303 CA ASP A 24 -10.232 15.903 -11.020 1.00 0.00 C ATOM 304 C ASP A 24 -9.299 15.168 -11.984 1.00 0.00 C ATOM 305 O ASP A 24 -8.841 15.743 -12.970 1.00 0.00 O ATOM 306 CB ASP A 24 -9.369 16.681 -10.025 1.00 0.00 C ATOM 307 CG ASP A 24 -10.096 17.796 -9.270 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.175 18.200 -9.756 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.557 18.218 -8.224 1.00 0.00 O ATOM 0 H ASP A 24 -11.138 15.063 -9.327 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.879 16.598 -11.555 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.957 15.980 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.526 17.116 -10.561 1.00 0.00 H new ATOM 313 N ASN A 25 -9.044 13.908 -11.665 1.00 0.00 N ATOM 314 CA ASN A 25 -8.173 13.088 -12.489 1.00 0.00 C ATOM 315 C ASN A 25 -6.715 13.380 -12.130 1.00 0.00 C ATOM 316 O ASN A 25 -5.854 13.429 -13.007 1.00 0.00 O ATOM 317 CB ASN A 25 -8.365 13.402 -13.974 1.00 0.00 C ATOM 318 CG ASN A 25 -8.051 12.180 -14.838 1.00 0.00 C ATOM 319 OD1 ASN A 25 -6.950 11.653 -14.837 1.00 0.00 O ATOM 320 ND2 ASN A 25 -9.075 11.759 -15.575 1.00 0.00 N ATOM 0 H ASN A 25 -9.426 13.434 -10.846 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.421 12.043 -12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.391 13.723 -14.152 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.717 14.231 -14.261 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.965 10.950 -16.186 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.970 12.245 -15.529 1.00 0.00 H new ATOM 326 N GLU A 26 -6.482 13.565 -10.839 1.00 0.00 N ATOM 327 CA GLU A 26 -5.143 13.850 -10.353 1.00 0.00 C ATOM 328 C GLU A 26 -4.534 12.602 -9.711 1.00 0.00 C ATOM 329 O GLU A 26 -4.932 12.205 -8.617 1.00 0.00 O ATOM 330 CB GLU A 26 -5.155 15.023 -9.369 1.00 0.00 C ATOM 331 CG GLU A 26 -5.745 16.276 -10.017 1.00 0.00 C ATOM 332 CD GLU A 26 -5.416 17.525 -9.196 1.00 0.00 C ATOM 333 OE1 GLU A 26 -5.875 17.577 -8.034 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.713 18.398 -9.748 1.00 0.00 O ATOM 0 H GLU A 26 -7.199 13.523 -10.114 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.523 14.137 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.738 14.757 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.140 15.228 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.352 16.387 -11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.826 16.169 -10.106 1.00 0.00 H new ATOM 339 N ASP A 27 -3.580 12.017 -10.419 1.00 0.00 N ATOM 340 CA ASP A 27 -2.912 10.822 -9.933 1.00 0.00 C ATOM 341 C ASP A 27 -2.537 11.016 -8.463 1.00 0.00 C ATOM 342 O ASP A 27 -1.497 11.596 -8.155 1.00 0.00 O ATOM 343 CB ASP A 27 -1.626 10.552 -10.717 1.00 0.00 C ATOM 344 CG ASP A 27 -1.807 9.719 -11.987 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.909 9.149 -12.141 1.00 0.00 O ATOM 346 OD2 ASP A 27 -0.840 9.671 -12.778 1.00 0.00 O ATOM 0 H ASP A 27 -3.253 12.349 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.593 9.980 -10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.176 11.507 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.920 10.041 -10.063 1.00 0.00 H new ATOM 350 N GLU A 28 -3.405 10.518 -7.593 1.00 0.00 N ATOM 351 CA GLU A 28 -3.177 10.628 -6.162 1.00 0.00 C ATOM 352 C GLU A 28 -2.422 9.401 -5.649 1.00 0.00 C ATOM 353 O GLU A 28 -2.274 8.413 -6.365 1.00 0.00 O ATOM 354 CB GLU A 28 -4.497 10.815 -5.411 1.00 0.00 C ATOM 355 CG GLU A 28 -4.247 11.198 -3.950 1.00 0.00 C ATOM 356 CD GLU A 28 -5.424 11.993 -3.382 1.00 0.00 C ATOM 357 OE1 GLU A 28 -5.725 13.056 -3.965 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.996 11.518 -2.377 1.00 0.00 O ATOM 0 H GLU A 28 -4.267 10.038 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.564 11.510 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.090 11.590 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.078 9.894 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.091 10.297 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.335 11.790 -3.877 1.00 0.00 H new ATOM 363 N TRP A 29 -1.964 9.504 -4.409 1.00 0.00 N ATOM 364 CA TRP A 29 -1.227 8.415 -3.791 1.00 0.00 C ATOM 365 C TRP A 29 -1.718 8.272 -2.349 1.00 0.00 C ATOM 366 O TRP A 29 -0.961 8.500 -1.406 1.00 0.00 O ATOM 367 CB TRP A 29 0.281 8.648 -3.889 1.00 0.00 C ATOM 368 CG TRP A 29 0.833 8.565 -5.314 1.00 0.00 C ATOM 369 CD1 TRP A 29 1.071 9.571 -6.166 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.208 7.364 -6.021 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.570 9.109 -7.367 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.655 7.724 -7.276 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.169 6.019 -5.615 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.099 6.797 -8.227 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.615 5.104 -6.577 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.070 5.450 -7.844 1.00 0.00 C ATOM 0 H TRP A 29 -2.089 10.325 -3.816 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.410 7.478 -4.316 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.514 9.630 -3.477 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.793 7.912 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.895 10.613 -5.941 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.829 9.678 -8.173 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.822 5.715 -4.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.445 7.104 -9.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.605 4.056 -6.316 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.400 4.684 -8.530 1.00 0.00 H new ATOM 386 N PRO A 30 -3.016 7.885 -2.218 1.00 0.00 N ATOM 387 CA PRO A 30 -3.616 7.710 -0.907 1.00 0.00 C ATOM 388 C PRO A 30 -3.129 6.417 -0.250 1.00 0.00 C ATOM 389 O PRO A 30 -2.838 5.438 -0.937 1.00 0.00 O ATOM 390 CB PRO A 30 -5.115 7.722 -1.156 1.00 0.00 C ATOM 391 CG PRO A 30 -5.294 7.437 -2.638 1.00 0.00 C ATOM 392 CD PRO A 30 -3.942 7.608 -3.312 1.00 0.00 C ATOM 0 HA PRO A 30 -3.336 8.497 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.618 6.968 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.548 8.686 -0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.671 6.425 -2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.026 8.118 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.654 6.709 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.959 8.425 -4.033 1.00 0.00 H new ATOM 397 N LEU A 31 -3.055 6.453 1.072 1.00 0.00 N ATOM 398 CA LEU A 31 -2.607 5.297 1.830 1.00 0.00 C ATOM 399 C LEU A 31 -3.643 4.178 1.702 1.00 0.00 C ATOM 400 O LEU A 31 -4.835 4.404 1.906 1.00 0.00 O ATOM 401 CB LEU A 31 -2.302 5.688 3.276 1.00 0.00 C ATOM 402 CG LEU A 31 -1.215 4.870 3.978 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.704 3.452 4.276 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.082 4.870 3.165 1.00 0.00 C ATOM 0 H LEU A 31 -3.298 7.266 1.639 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.670 4.915 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.007 6.737 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.222 5.606 3.855 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.995 5.343 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.913 2.892 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.580 3.498 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.968 2.955 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.838 4.282 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.104 4.434 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.437 5.894 3.046 1.00 0.00 H new ATOM 415 N ALA A 32 -3.151 2.995 1.364 1.00 0.00 N ATOM 416 CA ALA A 32 -4.019 1.840 1.206 1.00 0.00 C ATOM 417 C ALA A 32 -3.390 0.635 1.907 1.00 0.00 C ATOM 418 O ALA A 32 -2.166 0.523 1.980 1.00 0.00 O ATOM 419 CB ALA A 32 -4.265 1.587 -0.282 1.00 0.00 C ATOM 0 H ALA A 32 -2.162 2.811 1.195 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.988 2.021 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.916 0.721 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.740 2.462 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.315 1.398 -0.781 1.00 0.00 H new ATOM 425 N GLU A 33 -4.254 -0.238 2.405 1.00 0.00 N ATOM 426 CA GLU A 33 -3.798 -1.431 3.098 1.00 0.00 C ATOM 427 C GLU A 33 -4.238 -2.685 2.341 1.00 0.00 C ATOM 428 O GLU A 33 -5.392 -2.792 1.927 1.00 0.00 O ATOM 429 CB GLU A 33 -4.306 -1.455 4.541 1.00 0.00 C ATOM 430 CG GLU A 33 -3.568 -2.513 5.364 1.00 0.00 C ATOM 431 CD GLU A 33 -4.370 -2.895 6.610 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.336 -3.671 6.447 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.998 -2.404 7.697 1.00 0.00 O ATOM 0 H GLU A 33 -5.268 -0.143 2.342 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.709 -1.414 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.168 -0.474 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.376 -1.663 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.395 -3.399 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.590 -2.133 5.659 1.00 0.00 H new ATOM 438 N ILE A 34 -3.295 -3.603 2.181 1.00 0.00 N ATOM 439 CA ILE A 34 -3.571 -4.845 1.481 1.00 0.00 C ATOM 440 C ILE A 34 -4.586 -5.662 2.283 1.00 0.00 C ATOM 441 O ILE A 34 -4.576 -5.638 3.512 1.00 0.00 O ATOM 442 CB ILE A 34 -2.270 -5.595 1.188 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.265 -4.692 0.472 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.544 -6.882 0.405 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.497 -4.702 -1.040 1.00 0.00 C ATOM 0 H ILE A 34 -2.339 -3.511 2.525 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.021 -4.643 0.509 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.821 -5.885 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.353 -3.673 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.251 -5.027 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.603 -7.396 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.198 -7.531 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.027 -6.637 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.769 -4.052 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.385 -5.718 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.503 -4.344 -1.256 1.00 0.00 H new ATOM 456 N LEU A 35 -5.439 -6.367 1.554 1.00 0.00 N ATOM 457 CA LEU A 35 -6.458 -7.191 2.181 1.00 0.00 C ATOM 458 C LEU A 35 -6.332 -8.628 1.671 1.00 0.00 C ATOM 459 O LEU A 35 -6.325 -9.572 2.460 1.00 0.00 O ATOM 460 CB LEU A 35 -7.845 -6.581 1.969 1.00 0.00 C ATOM 461 CG LEU A 35 -7.989 -5.100 2.321 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.426 -4.622 2.107 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.500 -4.826 3.745 1.00 0.00 C ATOM 0 H LEU A 35 -5.445 -6.384 0.534 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.311 -7.223 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.122 -6.714 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.563 -7.146 2.563 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.355 -4.525 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.500 -3.566 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.704 -4.761 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.099 -5.198 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.613 -3.766 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.089 -5.412 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.450 -5.105 3.829 1.00 0.00 H new ATOM 474 N SER A 36 -6.236 -8.748 0.356 1.00 0.00 N ATOM 475 CA SER A 36 -6.111 -10.054 -0.270 1.00 0.00 C ATOM 476 C SER A 36 -5.416 -9.921 -1.626 1.00 0.00 C ATOM 477 O SER A 36 -5.624 -8.941 -2.340 1.00 0.00 O ATOM 478 CB SER A 36 -7.479 -10.718 -0.438 1.00 0.00 C ATOM 479 OG SER A 36 -7.429 -12.119 -0.180 1.00 0.00 O ATOM 0 H SER A 36 -6.242 -7.962 -0.294 1.00 0.00 H new ATOM 0 HA SER A 36 -5.507 -10.687 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.194 -10.250 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.842 -10.549 -1.452 1.00 0.00 H new ATOM 0 HG SER A 36 -8.322 -12.505 -0.296 1.00 0.00 H new ATOM 484 N VAL A 37 -4.606 -10.920 -1.941 1.00 0.00 N ATOM 485 CA VAL A 37 -3.878 -10.927 -3.199 1.00 0.00 C ATOM 486 C VAL A 37 -4.482 -11.984 -4.126 1.00 0.00 C ATOM 487 O VAL A 37 -5.285 -12.809 -3.693 1.00 0.00 O ATOM 488 CB VAL A 37 -2.386 -11.140 -2.940 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.599 -11.163 -4.252 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.836 -10.075 -1.989 1.00 0.00 C ATOM 0 H VAL A 37 -4.437 -11.731 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.971 -9.963 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.265 -12.111 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.541 -11.316 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.964 -11.975 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.731 -10.214 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.773 -10.250 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.976 -9.087 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.366 -10.128 -1.038 1.00 0.00 H new ATOM 500 N LYS A 38 -4.071 -11.925 -5.384 1.00 0.00 N ATOM 501 CA LYS A 38 -4.561 -12.868 -6.376 1.00 0.00 C ATOM 502 C LYS A 38 -3.567 -12.941 -7.537 1.00 0.00 C ATOM 503 O LYS A 38 -2.512 -12.311 -7.496 1.00 0.00 O ATOM 504 CB LYS A 38 -5.983 -12.502 -6.805 1.00 0.00 C ATOM 505 CG LYS A 38 -6.868 -13.748 -6.889 1.00 0.00 C ATOM 506 CD LYS A 38 -7.317 -14.007 -8.328 1.00 0.00 C ATOM 507 CE LYS A 38 -8.843 -14.005 -8.436 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.407 -15.229 -7.825 1.00 0.00 N ATOM 0 H LYS A 38 -3.405 -11.239 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.629 -13.869 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.411 -11.795 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.958 -12.004 -7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.321 -14.613 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.741 -13.622 -6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.902 -13.243 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.926 -14.966 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.248 -13.123 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.139 -13.944 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.444 -15.212 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.035 -16.066 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.140 -15.271 -6.821 1.00 0.00 H new ATOM 518 N ASP A 39 -3.942 -13.715 -8.545 1.00 0.00 N ATOM 519 CA ASP A 39 -3.097 -13.880 -9.716 1.00 0.00 C ATOM 520 C ASP A 39 -3.948 -14.369 -10.889 1.00 0.00 C ATOM 521 O ASP A 39 -4.568 -15.429 -10.811 1.00 0.00 O ATOM 522 CB ASP A 39 -2.000 -14.915 -9.463 1.00 0.00 C ATOM 523 CG ASP A 39 -1.466 -15.612 -10.717 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.604 -14.998 -11.383 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.932 -16.741 -10.980 1.00 0.00 O ATOM 0 H ASP A 39 -4.819 -14.235 -8.575 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.638 -12.917 -9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.169 -14.425 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.387 -15.673 -8.781 1.00 0.00 H new ATOM 529 N ILE A 40 -3.950 -13.575 -11.950 1.00 0.00 N ATOM 530 CA ILE A 40 -4.715 -13.916 -13.137 1.00 0.00 C ATOM 531 C ILE A 40 -3.788 -13.909 -14.355 1.00 0.00 C ATOM 532 O ILE A 40 -3.602 -12.875 -14.993 1.00 0.00 O ATOM 533 CB ILE A 40 -5.923 -12.988 -13.280 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.644 -12.816 -11.941 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.867 -13.481 -14.380 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.304 -14.125 -11.502 1.00 0.00 C ATOM 0 H ILE A 40 -3.434 -12.697 -12.012 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.123 -14.923 -13.051 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.564 -12.004 -13.581 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.934 -12.490 -11.181 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.399 -12.035 -12.028 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.717 -12.803 -14.461 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.334 -13.510 -15.331 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.223 -14.481 -14.133 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.809 -13.976 -10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.031 -14.436 -12.253 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.543 -14.897 -11.392 1.00 0.00 H new ATOM 547 N SER A 41 -3.231 -15.078 -14.641 1.00 0.00 N ATOM 548 CA SER A 41 -2.328 -15.220 -15.770 1.00 0.00 C ATOM 549 C SER A 41 -1.132 -14.281 -15.604 1.00 0.00 C ATOM 550 O SER A 41 -0.707 -13.637 -16.562 1.00 0.00 O ATOM 551 CB SER A 41 -3.048 -14.935 -17.090 1.00 0.00 C ATOM 552 OG SER A 41 -2.741 -15.907 -18.086 1.00 0.00 O ATOM 0 H SER A 41 -3.388 -15.935 -14.110 1.00 0.00 H new ATOM 0 HA SER A 41 -1.972 -16.250 -15.797 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.124 -14.918 -16.920 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.767 -13.945 -17.450 1.00 0.00 H new ATOM 0 HG SER A 41 -3.221 -15.691 -18.913 1.00 0.00 H new ATOM 557 N GLY A 42 -0.621 -14.235 -14.383 1.00 0.00 N ATOM 558 CA GLY A 42 0.518 -13.385 -14.080 1.00 0.00 C ATOM 559 C GLY A 42 0.065 -12.054 -13.475 1.00 0.00 C ATOM 560 O GLY A 42 0.823 -11.406 -12.756 1.00 0.00 O ATOM 0 H GLY A 42 -0.975 -14.773 -13.592 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.183 -13.897 -13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.090 -13.199 -14.989 1.00 0.00 H new ATOM 564 N ARG A 43 -1.169 -11.688 -13.788 1.00 0.00 N ATOM 565 CA ARG A 43 -1.732 -10.447 -13.284 1.00 0.00 C ATOM 566 C ARG A 43 -2.118 -10.599 -11.812 1.00 0.00 C ATOM 567 O ARG A 43 -3.232 -11.015 -11.499 1.00 0.00 O ATOM 568 CB ARG A 43 -2.967 -10.036 -14.089 1.00 0.00 C ATOM 569 CG ARG A 43 -3.161 -8.519 -14.058 1.00 0.00 C ATOM 570 CD ARG A 43 -4.183 -8.119 -12.992 1.00 0.00 C ATOM 571 NE ARG A 43 -5.239 -7.274 -13.594 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.270 -7.752 -14.303 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.390 -9.072 -14.504 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.181 -6.912 -14.812 1.00 0.00 N ATOM 0 H ARG A 43 -1.795 -12.229 -14.384 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.972 -9.672 -13.385 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.861 -10.372 -15.121 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.851 -10.528 -13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.208 -8.031 -13.854 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.495 -8.171 -15.036 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.627 -9.011 -12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.687 -7.577 -12.187 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.178 -6.265 -13.461 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.696 -9.712 -14.117 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.175 -9.436 -15.044 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.090 -5.908 -14.660 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.966 -7.277 -15.352 1.00 0.00 H new ATOM 585 N LYS A 44 -1.176 -10.252 -10.948 1.00 0.00 N ATOM 586 CA LYS A 44 -1.404 -10.344 -9.515 1.00 0.00 C ATOM 587 C LYS A 44 -2.309 -9.193 -9.072 1.00 0.00 C ATOM 588 O LYS A 44 -2.007 -8.028 -9.327 1.00 0.00 O ATOM 589 CB LYS A 44 -0.072 -10.404 -8.764 1.00 0.00 C ATOM 590 CG LYS A 44 0.224 -11.828 -8.288 1.00 0.00 C ATOM 591 CD LYS A 44 0.449 -11.864 -6.775 1.00 0.00 C ATOM 592 CE LYS A 44 1.796 -11.238 -6.405 1.00 0.00 C ATOM 593 NZ LYS A 44 2.858 -12.268 -6.384 1.00 0.00 N ATOM 0 H LYS A 44 -0.253 -9.907 -11.212 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.924 -11.270 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.732 -10.059 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.102 -9.729 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.606 -12.483 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.107 -12.210 -8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.356 -11.328 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.414 -12.895 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.051 -10.459 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.725 -10.760 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.765 -11.826 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.620 -12.997 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.936 -12.705 -7.324 1.00 0.00 H new ATOM 603 N LEU A 45 -3.400 -9.559 -8.416 1.00 0.00 N ATOM 604 CA LEU A 45 -4.350 -8.572 -7.935 1.00 0.00 C ATOM 605 C LEU A 45 -4.198 -8.418 -6.420 1.00 0.00 C ATOM 606 O LEU A 45 -3.750 -9.341 -5.742 1.00 0.00 O ATOM 607 CB LEU A 45 -5.770 -8.934 -8.376 1.00 0.00 C ATOM 608 CG LEU A 45 -6.380 -8.053 -9.468 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.292 -7.472 -10.374 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.439 -8.818 -10.264 1.00 0.00 C ATOM 0 H LEU A 45 -3.647 -10.526 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.142 -7.598 -8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.767 -9.965 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.421 -8.897 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.883 -7.214 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.752 -6.850 -11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.607 -6.868 -9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.741 -8.284 -10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.856 -8.168 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.982 -9.689 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.234 -9.143 -9.593 1.00 0.00 H new ATOM 621 N PHE A 46 -4.580 -7.246 -5.935 1.00 0.00 N ATOM 622 CA PHE A 46 -4.490 -6.960 -4.513 1.00 0.00 C ATOM 623 C PHE A 46 -5.618 -6.026 -4.069 1.00 0.00 C ATOM 624 O PHE A 46 -5.688 -4.879 -4.509 1.00 0.00 O ATOM 625 CB PHE A 46 -3.148 -6.265 -4.279 1.00 0.00 C ATOM 626 CG PHE A 46 -1.958 -6.971 -4.933 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.662 -6.736 -6.239 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.199 -7.836 -4.209 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.558 -7.392 -6.847 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.096 -8.492 -4.815 1.00 0.00 C ATOM 631 CZ PHE A 46 0.201 -8.256 -6.122 1.00 0.00 C ATOM 0 H PHE A 46 -4.952 -6.484 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.574 -7.885 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.207 -5.246 -4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.970 -6.194 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.266 -6.050 -6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.436 -8.024 -3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.322 -7.204 -7.884 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.507 -9.178 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.040 -8.755 -6.583 1.00 0.00 H new ATOM 640 N TYR A 47 -6.474 -6.552 -3.205 1.00 0.00 N ATOM 641 CA TYR A 47 -7.596 -5.781 -2.698 1.00 0.00 C ATOM 642 C TYR A 47 -7.137 -4.784 -1.630 1.00 0.00 C ATOM 643 O TYR A 47 -7.072 -5.122 -0.449 1.00 0.00 O ATOM 644 CB TYR A 47 -8.550 -6.792 -2.059 1.00 0.00 C ATOM 645 CG TYR A 47 -9.975 -6.270 -1.871 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.624 -5.645 -2.916 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.612 -6.424 -0.656 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.967 -5.154 -2.738 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.953 -5.933 -0.479 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.565 -5.323 -1.529 1.00 0.00 C ATOM 651 OH TYR A 47 -13.832 -4.858 -1.361 1.00 0.00 O ATOM 0 H TYR A 47 -6.413 -7.504 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.066 -5.214 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.581 -7.688 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.152 -7.089 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.126 -5.524 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.104 -6.913 0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.487 -4.663 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.462 -6.046 0.467 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.132 -5.049 -0.448 1.00 0.00 H new ATOM 660 N VAL A 48 -6.833 -3.578 -2.084 1.00 0.00 N ATOM 661 CA VAL A 48 -6.384 -2.531 -1.183 1.00 0.00 C ATOM 662 C VAL A 48 -7.576 -1.661 -0.783 1.00 0.00 C ATOM 663 O VAL A 48 -8.515 -1.492 -1.560 1.00 0.00 O ATOM 664 CB VAL A 48 -5.252 -1.732 -1.833 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.084 -2.644 -2.212 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.758 -0.954 -3.049 1.00 0.00 C ATOM 0 H VAL A 48 -6.889 -3.302 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.977 -2.963 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.889 -1.010 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.294 -2.051 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.698 -3.132 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.427 -3.400 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.934 -0.395 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.161 -1.650 -3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.540 -0.262 -2.738 1.00 0.00 H new ATOM 676 N HIS A 49 -7.502 -1.132 0.430 1.00 0.00 N ATOM 677 CA HIS A 49 -8.565 -0.284 0.943 1.00 0.00 C ATOM 678 C HIS A 49 -7.979 1.055 1.397 1.00 0.00 C ATOM 679 O HIS A 49 -7.176 1.100 2.328 1.00 0.00 O ATOM 680 CB HIS A 49 -9.342 -0.998 2.051 1.00 0.00 C ATOM 681 CG HIS A 49 -10.172 -0.074 2.910 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.490 0.235 2.623 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.859 0.602 4.053 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.939 1.062 3.555 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.927 1.288 4.441 1.00 0.00 N ATOM 0 H HIS A 49 -6.722 -1.274 1.072 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.284 -0.076 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.996 -1.744 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.638 -1.535 2.687 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.904 0.582 4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.932 1.483 3.605 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -10.982 1.886 5.266 1.00 0.00 H new ATOM 692 N TYR A 50 -8.403 2.110 0.718 1.00 0.00 N ATOM 693 CA TYR A 50 -7.930 3.446 1.040 1.00 0.00 C ATOM 694 C TYR A 50 -8.241 3.801 2.495 1.00 0.00 C ATOM 695 O TYR A 50 -9.298 3.445 3.013 1.00 0.00 O ATOM 696 CB TYR A 50 -8.698 4.397 0.120 1.00 0.00 C ATOM 697 CG TYR A 50 -8.571 4.063 -1.367 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.322 3.892 -1.932 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.703 3.933 -2.145 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.203 3.576 -3.332 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.583 3.619 -3.545 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.338 3.456 -4.070 1.00 0.00 C ATOM 703 OH TYR A 50 -8.226 3.158 -5.391 1.00 0.00 O ATOM 0 H TYR A 50 -9.069 2.067 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.850 3.515 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.752 4.381 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.341 5.413 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.435 3.995 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.680 4.067 -1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.233 3.437 -3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.461 3.515 -4.165 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.118 3.119 -5.794 1.00 0.00 H new ATOM 712 N ILE A 51 -7.300 4.500 3.113 1.00 0.00 N ATOM 713 CA ILE A 51 -7.460 4.907 4.499 1.00 0.00 C ATOM 714 C ILE A 51 -7.242 6.418 4.610 1.00 0.00 C ATOM 715 O ILE A 51 -7.211 6.965 5.712 1.00 0.00 O ATOM 716 CB ILE A 51 -6.544 4.085 5.409 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.144 3.954 4.804 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.163 2.722 5.722 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.959 2.588 4.141 1.00 0.00 C ATOM 0 H ILE A 51 -6.425 4.795 2.680 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.475 4.704 4.841 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.437 4.615 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.986 4.743 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.393 4.089 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.492 2.158 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.120 2.864 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.319 2.172 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.956 2.521 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.093 1.802 4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.695 2.466 3.347 1.00 0.00 H new ATOM 844 N GLU A 59 -10.963 -2.109 -2.836 1.00 0.00 N ATOM 845 CA GLU A 59 -10.978 -2.368 -4.265 1.00 0.00 C ATOM 846 C GLU A 59 -9.726 -3.144 -4.677 1.00 0.00 C ATOM 847 O GLU A 59 -8.727 -3.146 -3.959 1.00 0.00 O ATOM 848 CB GLU A 59 -11.100 -1.064 -5.057 1.00 0.00 C ATOM 849 CG GLU A 59 -9.831 -0.220 -4.921 1.00 0.00 C ATOM 850 CD GLU A 59 -9.736 0.811 -6.047 1.00 0.00 C ATOM 851 OE1 GLU A 59 -10.403 1.860 -5.915 1.00 0.00 O ATOM 852 OE2 GLU A 59 -8.997 0.528 -7.015 1.00 0.00 O ATOM 0 HA GLU A 59 -11.852 -2.978 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.281 -1.288 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.959 -0.496 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.829 0.288 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.955 -0.868 -4.941 1.00 0.00 H new ATOM 857 N TRP A 60 -9.821 -3.787 -5.832 1.00 0.00 N ATOM 858 CA TRP A 60 -8.708 -4.566 -6.348 1.00 0.00 C ATOM 859 C TRP A 60 -7.831 -3.638 -7.189 1.00 0.00 C ATOM 860 O TRP A 60 -8.339 -2.768 -7.895 1.00 0.00 O ATOM 861 CB TRP A 60 -9.208 -5.785 -7.127 1.00 0.00 C ATOM 862 CG TRP A 60 -10.105 -6.719 -6.313 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.413 -6.587 -6.054 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.706 -7.942 -5.659 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.885 -7.630 -5.284 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.813 -8.481 -5.036 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.451 -8.572 -5.596 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.777 -9.674 -4.306 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.431 -9.764 -4.862 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.536 -10.319 -4.229 1.00 0.00 C ATOM 0 H TRP A 60 -10.651 -3.784 -6.425 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.107 -4.968 -5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.758 -5.443 -8.003 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.349 -6.349 -7.490 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.022 -5.767 -6.404 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.843 -7.754 -4.957 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.572 -8.168 -6.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.658 -10.076 -3.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.490 -10.289 -4.782 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.439 -11.244 -3.680 1.00 0.00 H new ATOM 880 N VAL A 61 -6.527 -3.853 -7.086 1.00 0.00 N ATOM 881 CA VAL A 61 -5.574 -3.047 -7.829 1.00 0.00 C ATOM 882 C VAL A 61 -4.472 -3.950 -8.386 1.00 0.00 C ATOM 883 O VAL A 61 -4.524 -5.169 -8.226 1.00 0.00 O ATOM 884 CB VAL A 61 -5.034 -1.924 -6.940 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.170 -1.037 -6.426 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.213 -2.490 -5.780 1.00 0.00 C ATOM 0 H VAL A 61 -6.109 -4.574 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.060 -2.567 -8.678 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.374 -1.305 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.759 -0.247 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.695 -0.592 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.867 -1.639 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.841 -1.671 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.841 -3.143 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.371 -3.059 -6.174 1.00 0.00 H new ATOM 896 N THR A 62 -3.501 -3.319 -9.028 1.00 0.00 N ATOM 897 CA THR A 62 -2.388 -4.051 -9.609 1.00 0.00 C ATOM 898 C THR A 62 -1.092 -3.735 -8.860 1.00 0.00 C ATOM 899 O THR A 62 -1.088 -2.923 -7.936 1.00 0.00 O ATOM 900 CB THR A 62 -2.326 -3.712 -11.100 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.215 -2.291 -11.129 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.646 -3.995 -11.820 1.00 0.00 C ATOM 0 H THR A 62 -3.461 -2.308 -9.159 1.00 0.00 H new ATOM 0 HA THR A 62 -2.529 -5.127 -9.511 1.00 0.00 H new ATOM 0 HB THR A 62 -1.526 -4.284 -11.569 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.167 -1.986 -12.059 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.548 -3.737 -12.875 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.892 -5.053 -11.726 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.440 -3.397 -11.373 1.00 0.00 H new ATOM 910 N HIS A 63 -0.024 -4.391 -9.287 1.00 0.00 N ATOM 911 CA HIS A 63 1.275 -4.191 -8.669 1.00 0.00 C ATOM 912 C HIS A 63 1.904 -2.901 -9.201 1.00 0.00 C ATOM 913 O HIS A 63 3.024 -2.554 -8.832 1.00 0.00 O ATOM 914 CB HIS A 63 2.170 -5.415 -8.874 1.00 0.00 C ATOM 915 CG HIS A 63 3.519 -5.310 -8.203 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.539 -6.218 -8.424 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.003 -4.394 -7.315 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.586 -5.856 -7.697 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.252 -4.725 -7.011 1.00 0.00 N ATOM 0 H HIS A 63 -0.032 -5.063 -10.055 1.00 0.00 H new ATOM 0 HA HIS A 63 1.154 -4.078 -7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.654 -6.297 -8.494 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.318 -5.569 -9.943 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.493 -7.028 -9.042 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.462 -3.544 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.537 -6.367 -7.655 1.00 0.00 H new ATOM 926 N GLU A 64 1.154 -2.226 -10.060 1.00 0.00 N ATOM 927 CA GLU A 64 1.624 -0.983 -10.648 1.00 0.00 C ATOM 928 C GLU A 64 1.375 0.184 -9.689 1.00 0.00 C ATOM 929 O GLU A 64 2.245 1.032 -9.499 1.00 0.00 O ATOM 930 CB GLU A 64 0.959 -0.731 -12.002 1.00 0.00 C ATOM 931 CG GLU A 64 1.667 0.394 -12.760 1.00 0.00 C ATOM 932 CD GLU A 64 1.264 0.399 -14.236 1.00 0.00 C ATOM 933 OE1 GLU A 64 1.420 -0.667 -14.870 1.00 0.00 O ATOM 934 OE2 GLU A 64 0.810 1.469 -14.697 1.00 0.00 O ATOM 0 H GLU A 64 0.224 -2.516 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 64 2.697 -1.067 -10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.980 -1.644 -12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.089 -0.471 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.418 1.354 -12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.747 0.272 -12.675 1.00 0.00 H new ATOM 939 N ARG A 65 0.183 0.189 -9.111 1.00 0.00 N ATOM 940 CA ARG A 65 -0.191 1.237 -8.177 1.00 0.00 C ATOM 941 C ARG A 65 0.481 1.006 -6.823 1.00 0.00 C ATOM 942 O ARG A 65 0.665 1.944 -6.048 1.00 0.00 O ATOM 943 CB ARG A 65 -1.708 1.287 -7.983 1.00 0.00 C ATOM 944 CG ARG A 65 -2.415 1.654 -9.290 1.00 0.00 C ATOM 945 CD ARG A 65 -3.380 0.547 -9.720 1.00 0.00 C ATOM 946 NE ARG A 65 -4.720 1.116 -9.981 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.732 0.434 -10.534 1.00 0.00 C ATOM 948 NH1 ARG A 65 -5.561 -0.846 -10.890 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.914 1.033 -10.733 1.00 0.00 N ATOM 0 H ARG A 65 -0.536 -0.516 -9.271 1.00 0.00 H new ATOM 0 HA ARG A 65 0.142 2.187 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.066 0.319 -7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.956 2.018 -7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.961 2.588 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.676 1.822 -10.073 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.004 0.054 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.444 -0.213 -8.942 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.884 2.089 -9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.661 -1.301 -10.740 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.331 -1.366 -11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.043 2.008 -10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.684 0.514 -11.154 1.00 0.00 H new ATOM 960 N LEU A 66 0.831 -0.248 -6.577 1.00 0.00 N ATOM 961 CA LEU A 66 1.479 -0.614 -5.330 1.00 0.00 C ATOM 962 C LEU A 66 2.883 -0.008 -5.293 1.00 0.00 C ATOM 963 O LEU A 66 3.787 -0.484 -5.978 1.00 0.00 O ATOM 964 CB LEU A 66 1.460 -2.132 -5.141 1.00 0.00 C ATOM 965 CG LEU A 66 0.077 -2.783 -5.076 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.171 -4.296 -5.283 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.636 -2.427 -3.769 1.00 0.00 C ATOM 0 H LEU A 66 0.678 -1.024 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 66 0.931 -0.204 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.016 -2.587 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.995 -2.370 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.526 -2.384 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.826 -4.733 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.608 -4.503 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.798 -4.731 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.617 -2.902 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.044 -2.779 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.756 -1.346 -3.703 1.00 0.00 H new ATOM 978 N ASP A 67 3.023 1.033 -4.484 1.00 0.00 N ATOM 979 CA ASP A 67 4.301 1.710 -4.349 1.00 0.00 C ATOM 980 C ASP A 67 5.074 1.101 -3.176 1.00 0.00 C ATOM 981 O ASP A 67 5.206 1.726 -2.125 1.00 0.00 O ATOM 982 CB ASP A 67 4.109 3.200 -4.066 1.00 0.00 C ATOM 983 CG ASP A 67 5.212 4.110 -4.609 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.174 3.554 -5.183 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.068 5.340 -4.440 1.00 0.00 O ATOM 0 H ASP A 67 2.272 1.424 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 67 4.847 1.589 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.157 3.515 -4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.039 3.343 -2.988 1.00 0.00 H new ATOM 989 N LEU A 68 5.563 -0.110 -3.397 1.00 0.00 N ATOM 990 CA LEU A 68 6.318 -0.810 -2.371 1.00 0.00 C ATOM 991 C LEU A 68 7.427 0.106 -1.846 1.00 0.00 C ATOM 992 O LEU A 68 7.930 -0.093 -0.741 1.00 0.00 O ATOM 993 CB LEU A 68 6.828 -2.151 -2.903 1.00 0.00 C ATOM 994 CG LEU A 68 5.855 -2.937 -3.783 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.255 -4.412 -3.860 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.414 -2.759 -3.303 1.00 0.00 C ATOM 0 H LEU A 68 5.451 -0.624 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 68 5.676 -1.053 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.738 -1.970 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.104 -2.775 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 68 5.909 -2.535 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.547 -4.948 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.256 -4.496 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.248 -4.844 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.743 -3.328 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.325 -3.118 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.145 -1.703 -3.342 1.00 0.00 H new ATOM 1007 N LYS A 69 7.774 1.088 -2.663 1.00 0.00 N ATOM 1008 CA LYS A 69 8.814 2.035 -2.296 1.00 0.00 C ATOM 1009 C LYS A 69 8.334 2.878 -1.112 1.00 0.00 C ATOM 1010 O LYS A 69 9.113 3.624 -0.521 1.00 0.00 O ATOM 1011 CB LYS A 69 9.238 2.864 -3.510 1.00 0.00 C ATOM 1012 CG LYS A 69 9.618 1.960 -4.685 1.00 0.00 C ATOM 1013 CD LYS A 69 10.985 2.346 -5.254 1.00 0.00 C ATOM 1014 CE LYS A 69 11.028 2.136 -6.768 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.414 2.260 -7.270 1.00 0.00 N ATOM 0 H LYS A 69 7.354 1.249 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 69 9.711 1.509 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.424 3.527 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.085 3.497 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.637 0.921 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.861 2.035 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.198 3.390 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.763 1.749 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.632 1.151 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.390 2.869 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.425 2.115 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.779 3.209 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.014 1.544 -6.813 1.00 0.00 H new ATOM 1025 N LYS A 70 7.055 2.732 -0.802 1.00 0.00 N ATOM 1026 CA LYS A 70 6.461 3.470 0.299 1.00 0.00 C ATOM 1027 C LYS A 70 5.612 2.520 1.145 1.00 0.00 C ATOM 1028 O LYS A 70 4.723 2.959 1.874 1.00 0.00 O ATOM 1029 CB LYS A 70 5.692 4.685 -0.223 1.00 0.00 C ATOM 1030 CG LYS A 70 6.628 5.661 -0.939 1.00 0.00 C ATOM 1031 CD LYS A 70 6.340 7.104 -0.518 1.00 0.00 C ATOM 1032 CE LYS A 70 7.350 8.069 -1.143 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.890 8.505 -2.480 1.00 0.00 N ATOM 0 H LYS A 70 6.412 2.112 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 70 7.237 3.870 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.909 4.358 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.199 5.191 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.664 5.411 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.507 5.562 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.331 7.381 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.379 7.184 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.482 8.936 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.322 7.583 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.586 9.159 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.787 7.676 -3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.973 8.987 -2.391 1.00 0.00 H new ATOM 1043 N ILE A 71 5.913 1.236 1.021 1.00 0.00 N ATOM 1044 CA ILE A 71 5.189 0.221 1.766 1.00 0.00 C ATOM 1045 C ILE A 71 5.435 0.418 3.262 1.00 0.00 C ATOM 1046 O ILE A 71 6.376 1.107 3.654 1.00 0.00 O ATOM 1047 CB ILE A 71 5.554 -1.177 1.261 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.300 -1.968 0.884 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.416 -1.921 2.282 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.637 -3.439 0.626 1.00 0.00 C ATOM 0 H ILE A 71 6.650 0.875 0.415 1.00 0.00 H new ATOM 0 HA ILE A 71 4.116 0.323 1.604 1.00 0.00 H new ATOM 0 HB ILE A 71 6.150 -1.068 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.565 -1.895 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.846 -1.534 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.661 -2.911 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.335 -1.362 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.867 -2.020 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.728 -3.979 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.354 -3.510 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.069 -3.877 1.526 1.00 0.00 H new ATOM 1061 N GLN A 72 4.573 -0.198 4.058 1.00 0.00 N ATOM 1062 CA GLN A 72 4.686 -0.098 5.503 1.00 0.00 C ATOM 1063 C GLN A 72 4.177 -1.381 6.165 1.00 0.00 C ATOM 1064 O GLN A 72 3.175 -1.360 6.878 1.00 0.00 O ATOM 1065 CB GLN A 72 3.933 1.126 6.029 1.00 0.00 C ATOM 1066 CG GLN A 72 4.715 2.412 5.750 1.00 0.00 C ATOM 1067 CD GLN A 72 4.023 3.621 6.381 1.00 0.00 C ATOM 1068 OE1 GLN A 72 3.973 3.780 7.590 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.494 4.464 5.498 1.00 0.00 N ATOM 0 H GLN A 72 3.794 -0.768 3.729 1.00 0.00 H new ATOM 0 HA GLN A 72 5.738 0.027 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.951 1.184 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.767 1.022 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.727 2.320 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.806 2.561 4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.571 4.271 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.011 5.303 5.820 1.00 0.00 H new ATOM 1076 N PHE A 73 4.891 -2.465 5.905 1.00 0.00 N ATOM 1077 CA PHE A 73 4.524 -3.755 6.465 1.00 0.00 C ATOM 1078 C PHE A 73 4.018 -3.604 7.902 1.00 0.00 C ATOM 1079 O PHE A 73 4.378 -2.653 8.594 1.00 0.00 O ATOM 1080 CB PHE A 73 5.788 -4.617 6.470 1.00 0.00 C ATOM 1081 CG PHE A 73 6.057 -5.336 5.148 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.597 -4.656 4.102 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.755 -6.656 5.018 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.845 -5.324 2.873 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.004 -7.324 3.790 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.544 -6.643 2.743 1.00 0.00 C ATOM 0 H PHE A 73 5.722 -2.477 5.314 1.00 0.00 H new ATOM 0 HA PHE A 73 3.728 -4.205 5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.644 -3.986 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.706 -5.359 7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.837 -3.608 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.326 -7.196 5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.273 -4.784 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.765 -8.372 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.733 -7.151 1.809 1.00 0.00 H new ATOM 1095 N PRO A 74 3.169 -4.580 8.318 1.00 0.00 N ATOM 1096 CA PRO A 74 2.610 -4.565 9.658 1.00 0.00 C ATOM 1097 C PRO A 74 3.655 -4.987 10.693 1.00 0.00 C ATOM 1098 O PRO A 74 4.565 -5.754 10.384 1.00 0.00 O ATOM 1099 CB PRO A 74 1.419 -5.509 9.600 1.00 0.00 C ATOM 1100 CG PRO A 74 1.631 -6.370 8.365 1.00 0.00 C ATOM 1101 CD PRO A 74 2.719 -5.722 7.525 1.00 0.00 C ATOM 0 HA PRO A 74 2.297 -3.569 9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.363 -6.123 10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.483 -4.954 9.534 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.921 -7.381 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.706 -6.452 7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.536 -6.417 7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.335 -5.404 6.556 1.00 0.00 H new