USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -1 K(o=-1,f=-2.4) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -76:sc= 0.294 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0013 USER MOD Single : A 26 HIS : no HE2:sc= -5.55 K(o=-5.6,f=-6.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 104:sc= -4.26! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -47:sc= -1.44! USER MOD Single : A 92 SER OG : rot 175:sc= -1.66 USER MOD Single : A 93 ASN : amide:sc= 0.42 K(o=0.42,f=-3.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.819 K(o=-0.82,f=-3.2!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.002 17.006 -5.002 1.00 0.00 N ATOM 67 CA LEU A 8 4.301 16.028 -4.188 1.00 0.00 C ATOM 68 C LEU A 8 5.280 14.933 -3.758 1.00 0.00 C ATOM 69 O LEU A 8 5.786 14.185 -4.593 1.00 0.00 O ATOM 70 CB LEU A 8 3.072 15.498 -4.927 1.00 0.00 C ATOM 71 CG LEU A 8 2.205 14.499 -4.158 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.526 15.171 -2.962 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.193 13.822 -5.085 1.00 0.00 C ATOM 0 HA LEU A 8 3.921 16.492 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.449 16.347 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.404 15.024 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 8 2.853 13.716 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.916 14.440 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.285 15.567 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.893 15.986 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.590 13.117 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.545 14.577 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.723 13.289 -5.874 1.00 0.00 H new ATOM 85 N SER A 9 5.517 14.874 -2.455 1.00 0.00 N ATOM 86 CA SER A 9 6.426 13.884 -1.905 1.00 0.00 C ATOM 87 C SER A 9 5.701 12.548 -1.728 1.00 0.00 C ATOM 88 O SER A 9 4.506 12.520 -1.437 1.00 0.00 O ATOM 89 CB SER A 9 7.008 14.352 -0.569 1.00 0.00 C ATOM 90 OG SER A 9 6.136 14.066 0.522 1.00 0.00 O ATOM 0 H SER A 9 5.095 15.496 -1.765 1.00 0.00 H new ATOM 0 HA SER A 9 7.251 13.753 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.969 13.866 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.196 15.425 -0.611 1.00 0.00 H new ATOM 0 HG SER A 9 5.396 14.708 0.526 1.00 0.00 H new ATOM 96 N PRO A 10 6.473 11.445 -1.918 1.00 0.00 N ATOM 97 CA PRO A 10 5.916 10.110 -1.784 1.00 0.00 C ATOM 98 C PRO A 10 5.704 9.750 -0.312 1.00 0.00 C ATOM 99 O PRO A 10 6.147 10.474 0.578 1.00 0.00 O ATOM 100 CB PRO A 10 6.912 9.196 -2.480 1.00 0.00 C ATOM 101 CG PRO A 10 8.208 9.985 -2.571 1.00 0.00 C ATOM 102 CD PRO A 10 7.891 11.440 -2.265 1.00 0.00 C ATOM 0 HA PRO A 10 4.928 10.019 -2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.055 8.273 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.556 8.913 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.941 9.597 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.643 9.890 -3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.501 11.814 -1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.090 12.078 -3.126 1.00 0.00 H new ATOM 110 N PRO A 11 5.007 8.602 -0.095 1.00 0.00 N ATOM 111 CA PRO A 11 4.731 8.138 1.254 1.00 0.00 C ATOM 112 C PRO A 11 5.984 7.539 1.895 1.00 0.00 C ATOM 113 O PRO A 11 7.027 7.437 1.251 1.00 0.00 O ATOM 114 CB PRO A 11 3.604 7.130 1.099 1.00 0.00 C ATOM 115 CG PRO A 11 3.606 6.723 -0.365 1.00 0.00 C ATOM 116 CD PRO A 11 4.467 7.719 -1.125 1.00 0.00 C ATOM 0 HA PRO A 11 4.437 8.945 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.762 6.266 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.647 7.568 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.999 5.713 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.590 6.716 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.264 7.216 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.879 8.275 -1.855 1.00 0.00 H new ATOM 124 N ARG A 12 5.841 7.160 3.157 1.00 0.00 N ATOM 125 CA ARG A 12 6.948 6.574 3.892 1.00 0.00 C ATOM 126 C ARG A 12 6.424 5.679 5.018 1.00 0.00 C ATOM 127 O ARG A 12 5.215 5.511 5.169 1.00 0.00 O ATOM 128 CB ARG A 12 7.848 7.658 4.489 1.00 0.00 C ATOM 129 CG ARG A 12 7.574 9.016 3.839 1.00 0.00 C ATOM 130 CD ARG A 12 8.498 10.093 4.411 1.00 0.00 C ATOM 131 NE ARG A 12 8.236 11.390 3.746 1.00 0.00 N ATOM 132 CZ ARG A 12 8.877 12.529 4.043 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.820 12.539 4.994 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.573 13.658 3.388 1.00 0.00 N ATOM 0 H ARG A 12 4.975 7.248 3.689 1.00 0.00 H new ATOM 0 HA ARG A 12 7.532 5.978 3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.680 7.724 5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.894 7.387 4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.718 8.943 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.534 9.299 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.339 10.187 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.539 9.805 4.267 1.00 0.00 H new ATOM 0 HE ARG A 12 7.523 11.418 3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.051 11.680 5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.308 13.406 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.854 13.650 2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.060 14.525 3.613 1.00 0.00 H new ATOM 148 N GLY A 13 7.359 5.130 5.778 1.00 0.00 N ATOM 149 CA GLY A 13 7.007 4.257 6.885 1.00 0.00 C ATOM 150 C GLY A 13 5.907 3.274 6.479 1.00 0.00 C ATOM 151 O GLY A 13 4.928 3.099 7.202 1.00 0.00 O ATOM 0 H GLY A 13 8.361 5.273 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.889 3.707 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.671 4.855 7.732 1.00 0.00 H new ATOM 155 N LEU A 14 6.107 2.657 5.323 1.00 0.00 N ATOM 156 CA LEU A 14 5.144 1.695 4.813 1.00 0.00 C ATOM 157 C LEU A 14 5.538 0.291 5.275 1.00 0.00 C ATOM 158 O LEU A 14 6.676 -0.134 5.082 1.00 0.00 O ATOM 159 CB LEU A 14 5.009 1.827 3.294 1.00 0.00 C ATOM 160 CG LEU A 14 4.081 0.819 2.613 1.00 0.00 C ATOM 161 CD1 LEU A 14 2.634 1.009 3.073 1.00 0.00 C ATOM 162 CD2 LEU A 14 4.214 0.894 1.091 1.00 0.00 C ATOM 0 H LEU A 14 6.921 2.804 4.726 1.00 0.00 H new ATOM 0 HA LEU A 14 4.152 1.897 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.651 2.831 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.001 1.734 2.852 1.00 0.00 H new ATOM 0 HG LEU A 14 4.385 -0.184 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.995 0.280 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.573 0.866 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.301 2.016 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.544 0.168 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.951 1.896 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.242 0.672 0.804 1.00 0.00 H new ATOM 174 N VAL A 15 4.575 -0.390 5.878 1.00 0.00 N ATOM 175 CA VAL A 15 4.806 -1.738 6.370 1.00 0.00 C ATOM 176 C VAL A 15 3.545 -2.577 6.160 1.00 0.00 C ATOM 177 O VAL A 15 2.479 -2.039 5.863 1.00 0.00 O ATOM 178 CB VAL A 15 5.256 -1.691 7.832 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.760 -1.430 7.934 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.463 -0.645 8.616 1.00 0.00 C ATOM 0 H VAL A 15 3.633 -0.034 6.037 1.00 0.00 H new ATOM 0 HA VAL A 15 5.610 -2.216 5.811 1.00 0.00 H new ATOM 0 HB VAL A 15 5.054 -2.666 8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.054 -1.401 8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.303 -2.228 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.996 -0.475 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.802 -0.632 9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.618 0.338 8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.402 -0.894 8.585 1.00 0.00 H new ATOM 190 N ALA A 16 3.706 -3.882 6.321 1.00 0.00 N ATOM 191 CA ALA A 16 2.594 -4.801 6.152 1.00 0.00 C ATOM 192 C ALA A 16 2.610 -5.828 7.286 1.00 0.00 C ATOM 193 O ALA A 16 3.601 -6.530 7.478 1.00 0.00 O ATOM 194 CB ALA A 16 2.676 -5.455 4.772 1.00 0.00 C ATOM 0 H ALA A 16 4.591 -4.325 6.567 1.00 0.00 H new ATOM 0 HA ALA A 16 1.645 -4.268 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.841 -6.144 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.631 -4.685 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.615 -6.002 4.684 1.00 0.00 H new ATOM 200 N VAL A 17 1.500 -5.883 8.008 1.00 0.00 N ATOM 201 CA VAL A 17 1.373 -6.813 9.117 1.00 0.00 C ATOM 202 C VAL A 17 0.270 -7.825 8.805 1.00 0.00 C ATOM 203 O VAL A 17 -0.901 -7.462 8.705 1.00 0.00 O ATOM 204 CB VAL A 17 1.130 -6.045 10.418 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.039 -4.988 10.235 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.782 -7.000 11.562 1.00 0.00 C ATOM 0 H VAL A 17 0.680 -5.298 7.846 1.00 0.00 H new ATOM 0 HA VAL A 17 2.298 -7.373 9.254 1.00 0.00 H new ATOM 0 HB VAL A 17 2.054 -5.530 10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.114 -4.457 11.174 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.343 -4.281 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.891 -5.473 9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.614 -6.428 12.475 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.122 -7.555 11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.605 -7.698 11.717 1.00 0.00 H new ATOM 216 N ARG A 18 0.682 -9.076 8.662 1.00 0.00 N ATOM 217 CA ARG A 18 -0.257 -10.144 8.363 1.00 0.00 C ATOM 218 C ARG A 18 -1.109 -10.461 9.594 1.00 0.00 C ATOM 219 O ARG A 18 -0.577 -10.770 10.659 1.00 0.00 O ATOM 220 CB ARG A 18 0.475 -11.412 7.918 1.00 0.00 C ATOM 221 CG ARG A 18 -0.334 -12.170 6.863 1.00 0.00 C ATOM 222 CD ARG A 18 -0.790 -13.531 7.395 1.00 0.00 C ATOM 223 NE ARG A 18 -1.521 -13.357 8.670 1.00 0.00 N ATOM 224 CZ ARG A 18 -0.980 -13.553 9.879 1.00 0.00 C ATOM 225 NH1 ARG A 18 0.301 -13.932 9.987 1.00 0.00 N ATOM 226 NH2 ARG A 18 -1.719 -13.372 10.982 1.00 0.00 N ATOM 0 H ARG A 18 1.654 -9.374 8.748 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.899 -9.804 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.452 -11.149 7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.650 -12.056 8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.203 -11.579 6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.271 -12.310 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.432 -14.021 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.073 -14.179 7.547 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.499 -13.070 8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.864 -14.071 9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.713 -14.081 10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.694 -13.085 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.306 -13.522 11.903 1.00 0.00 H new ATOM 240 N THR A 19 -2.418 -10.372 9.407 1.00 0.00 N ATOM 241 CA THR A 19 -3.349 -10.645 10.488 1.00 0.00 C ATOM 242 C THR A 19 -4.373 -11.697 10.058 1.00 0.00 C ATOM 243 O THR A 19 -4.343 -12.170 8.923 1.00 0.00 O ATOM 244 CB THR A 19 -3.982 -9.319 10.913 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.220 -9.284 10.209 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.215 -8.107 10.380 1.00 0.00 C ATOM 0 H THR A 19 -2.856 -10.114 8.522 1.00 0.00 H new ATOM 0 HA THR A 19 -2.838 -11.069 11.352 1.00 0.00 H new ATOM 0 HB THR A 19 -4.027 -9.270 12.001 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.697 -8.457 10.428 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.706 -7.192 10.710 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.193 -8.128 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.199 -8.137 9.291 1.00 0.00 H new ATOM 254 N PRO A 20 -5.279 -12.041 11.011 1.00 0.00 N ATOM 255 CA PRO A 20 -6.311 -13.028 10.742 1.00 0.00 C ATOM 256 C PRO A 20 -7.413 -12.441 9.857 1.00 0.00 C ATOM 257 O PRO A 20 -7.933 -13.122 8.974 1.00 0.00 O ATOM 258 CB PRO A 20 -6.814 -13.455 12.112 1.00 0.00 C ATOM 259 CG PRO A 20 -6.378 -12.363 13.075 1.00 0.00 C ATOM 260 CD PRO A 20 -5.346 -11.501 12.366 1.00 0.00 C ATOM 0 HA PRO A 20 -5.937 -13.887 10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.898 -13.566 12.113 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.394 -14.419 12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.233 -11.760 13.381 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.955 -12.799 13.980 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.643 -10.452 12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.377 -11.555 12.862 1.00 0.00 H new ATOM 268 N ARG A 21 -7.737 -11.185 10.125 1.00 0.00 N ATOM 269 CA ARG A 21 -8.768 -10.499 9.364 1.00 0.00 C ATOM 270 C ARG A 21 -8.236 -10.107 7.984 1.00 0.00 C ATOM 271 O ARG A 21 -9.006 -9.721 7.106 1.00 0.00 O ATOM 272 CB ARG A 21 -9.248 -9.244 10.095 1.00 0.00 C ATOM 273 CG ARG A 21 -9.856 -9.598 11.453 1.00 0.00 C ATOM 274 CD ARG A 21 -11.198 -8.892 11.655 1.00 0.00 C ATOM 275 NE ARG A 21 -11.253 -8.284 13.003 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.214 -7.444 13.410 1.00 0.00 C ATOM 277 NH1 ARG A 21 -13.207 -7.107 12.576 1.00 0.00 N ATOM 278 NH2 ARG A 21 -12.183 -6.941 14.652 1.00 0.00 N ATOM 0 H ARG A 21 -7.304 -10.624 10.859 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.609 -11.183 9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.412 -8.558 10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.988 -8.725 9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.995 -10.677 11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.168 -9.313 12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.331 -8.123 10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.014 -9.604 11.535 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.513 -8.519 13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.231 -7.490 11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.939 -6.467 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.428 -7.198 15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.915 -6.301 14.962 1.00 0.00 H new ATOM 292 N GLY A 22 -6.924 -10.219 7.837 1.00 0.00 N ATOM 293 CA GLY A 22 -6.281 -9.880 6.579 1.00 0.00 C ATOM 294 C GLY A 22 -4.863 -9.354 6.812 1.00 0.00 C ATOM 295 O GLY A 22 -4.126 -9.891 7.638 1.00 0.00 O ATOM 0 H GLY A 22 -6.289 -10.540 8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.245 -10.760 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.871 -9.127 6.056 1.00 0.00 H new ATOM 299 N VAL A 23 -4.524 -8.310 6.070 1.00 0.00 N ATOM 300 CA VAL A 23 -3.208 -7.706 6.186 1.00 0.00 C ATOM 301 C VAL A 23 -3.358 -6.190 6.329 1.00 0.00 C ATOM 302 O VAL A 23 -3.933 -5.535 5.461 1.00 0.00 O ATOM 303 CB VAL A 23 -2.339 -8.111 4.993 1.00 0.00 C ATOM 304 CG1 VAL A 23 -0.986 -7.398 5.033 1.00 0.00 C ATOM 305 CG2 VAL A 23 -2.158 -9.629 4.936 1.00 0.00 C ATOM 0 H VAL A 23 -5.138 -7.867 5.386 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.699 -8.068 7.079 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.854 -7.801 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.388 -7.704 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.142 -6.320 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.463 -7.662 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.537 -9.889 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.676 -9.973 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.132 -10.108 4.837 1.00 0.00 H new ATOM 315 N LEU A 24 -2.831 -5.677 7.431 1.00 0.00 N ATOM 316 CA LEU A 24 -2.899 -4.250 7.699 1.00 0.00 C ATOM 317 C LEU A 24 -1.592 -3.590 7.257 1.00 0.00 C ATOM 318 O LEU A 24 -0.508 -4.070 7.585 1.00 0.00 O ATOM 319 CB LEU A 24 -3.251 -3.997 9.166 1.00 0.00 C ATOM 320 CG LEU A 24 -4.392 -3.010 9.422 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.650 -2.846 10.921 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.119 -1.669 8.738 1.00 0.00 C ATOM 0 H LEU A 24 -2.355 -6.224 8.149 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.700 -3.791 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.512 -4.950 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.359 -3.631 9.675 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.302 -3.418 8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.466 -2.139 11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.920 -3.810 11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.749 -2.471 11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.945 -0.985 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.194 -1.243 9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.023 -1.822 7.663 1.00 0.00 H new ATOM 334 N LEU A 25 -1.738 -2.499 6.519 1.00 0.00 N ATOM 335 CA LEU A 25 -0.582 -1.767 6.029 1.00 0.00 C ATOM 336 C LEU A 25 -0.504 -0.412 6.735 1.00 0.00 C ATOM 337 O LEU A 25 -1.497 0.310 6.812 1.00 0.00 O ATOM 338 CB LEU A 25 -0.621 -1.664 4.503 1.00 0.00 C ATOM 339 CG LEU A 25 -0.801 -2.982 3.746 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.413 -2.741 2.365 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.519 -3.751 3.662 1.00 0.00 C ATOM 0 H LEU A 25 -2.639 -2.104 6.249 1.00 0.00 H new ATOM 0 HA LEU A 25 0.337 -2.303 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.434 -0.994 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.305 -1.198 4.166 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.501 -3.604 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.530 -3.693 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.388 -2.266 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.758 -2.091 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.363 -4.683 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.260 -3.146 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.876 -3.972 4.668 1.00 0.00 H new ATOM 353 N HIS A 26 0.685 -0.108 7.233 1.00 0.00 N ATOM 354 CA HIS A 26 0.905 1.148 7.931 1.00 0.00 C ATOM 355 C HIS A 26 1.917 1.995 7.155 1.00 0.00 C ATOM 356 O HIS A 26 3.086 1.629 7.050 1.00 0.00 O ATOM 357 CB HIS A 26 1.328 0.898 9.380 1.00 0.00 C ATOM 358 CG HIS A 26 0.738 -0.354 9.984 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.371 -1.075 10.982 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.432 -1.003 9.723 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.608 -2.110 11.299 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.509 -2.064 10.517 1.00 0.00 N ATOM 0 H HIS A 26 1.506 -0.709 7.167 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.027 1.710 7.978 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.415 0.833 9.424 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.035 1.755 9.986 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.272 -0.848 11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.171 -0.705 8.994 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.831 -2.858 12.045 1.00 0.00 H new ATOM 370 N TRP A 27 1.429 3.110 6.633 1.00 0.00 N ATOM 371 CA TRP A 27 2.275 4.012 5.871 1.00 0.00 C ATOM 372 C TRP A 27 2.266 5.374 6.570 1.00 0.00 C ATOM 373 O TRP A 27 1.574 5.557 7.570 1.00 0.00 O ATOM 374 CB TRP A 27 1.823 4.087 4.411 1.00 0.00 C ATOM 375 CG TRP A 27 0.429 4.688 4.222 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.088 5.983 4.180 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.805 3.960 4.048 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.270 6.143 3.993 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.830 4.874 3.911 1.00 0.00 C ATOM 380 CE3 TRP A 27 -1.047 2.576 4.009 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.167 4.503 3.724 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.389 2.222 3.822 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.432 3.129 3.682 1.00 0.00 C ATOM 0 H TRP A 27 0.458 3.410 6.723 1.00 0.00 H new ATOM 0 HA TRP A 27 3.300 3.643 5.840 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.543 4.681 3.848 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.836 3.084 3.985 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.788 6.799 4.280 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.770 7.029 3.927 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.260 1.844 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.952 5.237 3.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.630 1.170 3.784 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.443 2.776 3.541 1.00 0.00 H new ATOM 394 N ASP A 28 3.042 6.293 6.015 1.00 0.00 N ATOM 395 CA ASP A 28 3.131 7.632 6.572 1.00 0.00 C ATOM 396 C ASP A 28 2.698 8.650 5.515 1.00 0.00 C ATOM 397 O ASP A 28 2.874 8.422 4.320 1.00 0.00 O ATOM 398 CB ASP A 28 4.567 7.962 6.985 1.00 0.00 C ATOM 399 CG ASP A 28 4.814 7.995 8.495 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.808 8.053 9.234 1.00 0.00 O ATOM 401 OD2 ASP A 28 6.004 7.962 8.876 1.00 0.00 O ATOM 0 H ASP A 28 3.615 6.137 5.186 1.00 0.00 H new ATOM 0 HA ASP A 28 2.484 7.676 7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.236 7.226 6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.836 8.932 6.567 1.00 0.00 H new ATOM 406 N PRO A 29 2.124 9.781 6.008 1.00 0.00 N ATOM 407 CA PRO A 29 1.664 10.834 5.119 1.00 0.00 C ATOM 408 C PRO A 29 2.843 11.634 4.560 1.00 0.00 C ATOM 409 O PRO A 29 3.901 11.706 5.184 1.00 0.00 O ATOM 410 CB PRO A 29 0.722 11.677 5.963 1.00 0.00 C ATOM 411 CG PRO A 29 1.047 11.343 7.410 1.00 0.00 C ATOM 412 CD PRO A 29 1.900 10.085 7.418 1.00 0.00 C ATOM 0 HA PRO A 29 1.151 10.447 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.866 12.739 5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.319 11.448 5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.580 12.169 7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.131 11.187 7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.842 10.248 7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.391 9.265 7.924 1.00 0.00 H new ATOM 420 N PRO A 30 2.615 12.230 3.359 1.00 0.00 N ATOM 421 CA PRO A 30 3.646 13.021 2.709 1.00 0.00 C ATOM 422 C PRO A 30 3.806 14.381 3.392 1.00 0.00 C ATOM 423 O PRO A 30 2.855 15.157 3.468 1.00 0.00 O ATOM 424 CB PRO A 30 3.200 13.134 1.260 1.00 0.00 C ATOM 425 CG PRO A 30 1.717 12.802 1.253 1.00 0.00 C ATOM 426 CD PRO A 30 1.375 12.166 2.591 1.00 0.00 C ATOM 0 HA PRO A 30 4.632 12.561 2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.377 14.138 0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.757 12.445 0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.125 13.704 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.482 12.121 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.571 12.705 3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.039 11.137 2.466 1.00 0.00 H new ATOM 434 N GLU A 31 5.016 14.627 3.872 1.00 0.00 N ATOM 435 CA GLU A 31 5.313 15.880 4.547 1.00 0.00 C ATOM 436 C GLU A 31 5.428 17.016 3.529 1.00 0.00 C ATOM 437 O GLU A 31 5.176 18.175 3.856 1.00 0.00 O ATOM 438 CB GLU A 31 6.587 15.762 5.385 1.00 0.00 C ATOM 439 CG GLU A 31 6.857 17.055 6.157 1.00 0.00 C ATOM 440 CD GLU A 31 7.114 16.767 7.637 1.00 0.00 C ATOM 441 OE1 GLU A 31 8.206 16.235 7.931 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.212 17.085 8.442 1.00 0.00 O ATOM 0 H GLU A 31 5.802 13.981 3.807 1.00 0.00 H new ATOM 0 HA GLU A 31 4.492 16.109 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.492 14.930 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.434 15.538 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.719 17.566 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.005 17.727 6.056 1.00 0.00 H new ATOM 449 N LEU A 32 5.811 16.645 2.316 1.00 0.00 N ATOM 450 CA LEU A 32 5.963 17.619 1.248 1.00 0.00 C ATOM 451 C LEU A 32 4.894 17.371 0.182 1.00 0.00 C ATOM 452 O LEU A 32 5.020 16.454 -0.627 1.00 0.00 O ATOM 453 CB LEU A 32 7.392 17.597 0.703 1.00 0.00 C ATOM 454 CG LEU A 32 8.357 18.618 1.309 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.652 18.698 0.498 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.687 19.986 1.455 1.00 0.00 C ATOM 0 H LEU A 32 6.021 15.683 2.049 1.00 0.00 H new ATOM 0 HA LEU A 32 5.807 18.629 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.804 16.600 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.351 17.760 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 32 8.625 18.282 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.320 19.431 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.137 17.722 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.423 18.998 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.394 20.693 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.371 20.343 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.818 19.898 2.106 1.00 0.00 H new ATOM 468 N VAL A 33 3.866 18.206 0.216 1.00 0.00 N ATOM 469 CA VAL A 33 2.776 18.090 -0.738 1.00 0.00 C ATOM 470 C VAL A 33 2.482 19.465 -1.341 1.00 0.00 C ATOM 471 O VAL A 33 2.748 20.490 -0.716 1.00 0.00 O ATOM 472 CB VAL A 33 1.555 17.459 -0.063 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.782 17.299 1.441 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.292 18.275 -0.344 1.00 0.00 C ATOM 0 H VAL A 33 3.765 18.966 0.889 1.00 0.00 H new ATOM 0 HA VAL A 33 3.055 17.429 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 33 1.413 16.465 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.900 16.849 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.646 16.657 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.962 18.277 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.561 17.806 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.420 19.287 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.116 18.314 -1.419 1.00 0.00 H new ATOM 484 N PRO A 34 1.923 19.441 -2.580 1.00 0.00 N ATOM 485 CA PRO A 34 1.590 20.674 -3.275 1.00 0.00 C ATOM 486 C PRO A 34 0.333 21.314 -2.682 1.00 0.00 C ATOM 487 O PRO A 34 0.249 22.537 -2.571 1.00 0.00 O ATOM 488 CB PRO A 34 1.422 20.272 -4.731 1.00 0.00 C ATOM 489 CG PRO A 34 1.208 18.767 -4.726 1.00 0.00 C ATOM 490 CD PRO A 34 1.594 18.246 -3.351 1.00 0.00 C ATOM 0 HA PRO A 34 2.362 21.437 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.573 20.786 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.303 20.539 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.167 18.529 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.814 18.293 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.774 17.693 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.444 17.566 -3.410 1.00 0.00 H new ATOM 498 N LYS A 35 -0.612 20.461 -2.317 1.00 0.00 N ATOM 499 CA LYS A 35 -1.860 20.928 -1.739 1.00 0.00 C ATOM 500 C LYS A 35 -2.380 19.885 -0.748 1.00 0.00 C ATOM 501 O LYS A 35 -1.842 19.744 0.349 1.00 0.00 O ATOM 502 CB LYS A 35 -2.861 21.282 -2.841 1.00 0.00 C ATOM 503 CG LYS A 35 -4.165 21.819 -2.245 1.00 0.00 C ATOM 504 CD LYS A 35 -5.103 22.322 -3.344 1.00 0.00 C ATOM 505 CE LYS A 35 -6.547 21.899 -3.067 1.00 0.00 C ATOM 506 NZ LYS A 35 -7.462 22.492 -4.068 1.00 0.00 N ATOM 0 H LYS A 35 -0.538 19.448 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.699 21.849 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.426 22.028 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.069 20.399 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.658 21.033 -1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.945 22.630 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.044 23.409 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.783 21.928 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.625 20.812 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.839 22.216 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.438 22.195 -3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.400 23.529 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.192 22.169 -5.019 1.00 0.00 H new ATOM 520 N ARG A 36 -3.420 19.181 -1.170 1.00 0.00 N ATOM 521 CA ARG A 36 -4.019 18.156 -0.332 1.00 0.00 C ATOM 522 C ARG A 36 -3.926 16.790 -1.017 1.00 0.00 C ATOM 523 O ARG A 36 -3.907 16.708 -2.245 1.00 0.00 O ATOM 524 CB ARG A 36 -5.487 18.472 -0.038 1.00 0.00 C ATOM 525 CG ARG A 36 -6.329 18.400 -1.313 1.00 0.00 C ATOM 526 CD ARG A 36 -7.816 18.575 -0.998 1.00 0.00 C ATOM 527 NE ARG A 36 -8.603 18.578 -2.252 1.00 0.00 N ATOM 528 CZ ARG A 36 -9.939 18.662 -2.301 1.00 0.00 C ATOM 529 NH1 ARG A 36 -10.646 18.751 -1.166 1.00 0.00 N ATOM 530 NH2 ARG A 36 -10.568 18.658 -3.484 1.00 0.00 N ATOM 0 H ARG A 36 -3.863 19.300 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.469 18.134 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.874 17.767 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.568 19.467 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.008 19.174 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.168 17.441 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.156 17.769 -0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.974 19.508 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.096 18.512 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.167 18.755 -0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.663 18.815 -1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.030 18.591 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.585 18.722 -3.521 1.00 0.00 H new ATOM 544 N LEU A 37 -3.871 15.754 -0.194 1.00 0.00 N ATOM 545 CA LEU A 37 -3.781 14.397 -0.705 1.00 0.00 C ATOM 546 C LEU A 37 -5.149 13.964 -1.236 1.00 0.00 C ATOM 547 O LEU A 37 -6.107 13.847 -0.473 1.00 0.00 O ATOM 548 CB LEU A 37 -3.210 13.459 0.361 1.00 0.00 C ATOM 549 CG LEU A 37 -2.321 12.324 -0.150 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.344 12.255 -1.678 1.00 0.00 C ATOM 551 CD2 LEU A 37 -0.898 12.454 0.397 1.00 0.00 C ATOM 0 H LEU A 37 -3.887 15.827 0.823 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.085 14.351 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.634 14.054 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.041 13.022 0.914 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.723 11.381 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.704 11.440 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.364 12.080 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.980 13.196 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.286 11.635 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.470 13.404 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.922 12.416 1.486 1.00 0.00 H new ATOM 563 N ASP A 38 -5.198 13.737 -2.541 1.00 0.00 N ATOM 564 CA ASP A 38 -6.433 13.320 -3.182 1.00 0.00 C ATOM 565 C ASP A 38 -6.676 11.837 -2.895 1.00 0.00 C ATOM 566 O ASP A 38 -7.820 11.409 -2.750 1.00 0.00 O ATOM 567 CB ASP A 38 -6.354 13.501 -4.699 1.00 0.00 C ATOM 568 CG ASP A 38 -7.068 14.741 -5.241 1.00 0.00 C ATOM 569 OD1 ASP A 38 -8.220 14.966 -4.810 1.00 0.00 O ATOM 570 OD2 ASP A 38 -6.446 15.436 -6.073 1.00 0.00 O ATOM 0 H ASP A 38 -4.402 13.834 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.242 13.934 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.305 13.548 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.778 12.618 -5.178 1.00 0.00 H new ATOM 575 N GLY A 39 -5.581 11.094 -2.822 1.00 0.00 N ATOM 576 CA GLY A 39 -5.661 9.668 -2.554 1.00 0.00 C ATOM 577 C GLY A 39 -4.384 8.954 -3.001 1.00 0.00 C ATOM 578 O GLY A 39 -3.687 9.425 -3.900 1.00 0.00 O ATOM 0 H GLY A 39 -4.634 11.453 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.820 9.503 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.520 9.244 -3.074 1.00 0.00 H new ATOM 582 N TYR A 40 -4.115 7.830 -2.354 1.00 0.00 N ATOM 583 CA TYR A 40 -2.934 7.046 -2.674 1.00 0.00 C ATOM 584 C TYR A 40 -3.292 5.853 -3.561 1.00 0.00 C ATOM 585 O TYR A 40 -4.463 5.627 -3.863 1.00 0.00 O ATOM 586 CB TYR A 40 -2.396 6.530 -1.337 1.00 0.00 C ATOM 587 CG TYR A 40 -2.050 7.635 -0.338 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.053 8.266 0.369 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.733 8.000 -0.142 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.727 9.306 1.310 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.407 9.040 0.800 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.420 9.642 1.479 1.00 0.00 C ATOM 593 OH TYR A 40 -1.112 10.624 2.368 1.00 0.00 O ATOM 0 H TYR A 40 -4.695 7.443 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.205 7.652 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.138 5.869 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.505 5.930 -1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.083 7.980 0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.052 7.506 -0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.503 9.808 1.869 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.619 9.335 0.963 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.749 10.223 3.185 1.00 0.00 H new ATOM 603 N VAL A 41 -2.261 5.119 -3.955 1.00 0.00 N ATOM 604 CA VAL A 41 -2.452 3.954 -4.802 1.00 0.00 C ATOM 605 C VAL A 41 -1.722 2.757 -4.188 1.00 0.00 C ATOM 606 O VAL A 41 -0.495 2.686 -4.230 1.00 0.00 O ATOM 607 CB VAL A 41 -1.996 4.264 -6.229 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.043 3.011 -7.105 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.832 5.391 -6.839 1.00 0.00 C ATOM 0 H VAL A 41 -1.291 5.309 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.509 3.695 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.961 4.601 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.714 3.260 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.385 2.249 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.063 2.630 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.487 5.592 -7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.880 5.094 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.725 6.292 -6.235 1.00 0.00 H new ATOM 619 N LEU A 42 -2.508 1.847 -3.632 1.00 0.00 N ATOM 620 CA LEU A 42 -1.952 0.658 -3.010 1.00 0.00 C ATOM 621 C LEU A 42 -1.717 -0.409 -4.081 1.00 0.00 C ATOM 622 O LEU A 42 -2.663 -0.889 -4.704 1.00 0.00 O ATOM 623 CB LEU A 42 -2.844 0.188 -1.860 1.00 0.00 C ATOM 624 CG LEU A 42 -2.290 -0.954 -1.004 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.763 -0.895 -0.934 1.00 0.00 C ATOM 626 CD2 LEU A 42 -2.929 -0.957 0.386 1.00 0.00 C ATOM 0 H LEU A 42 -3.526 1.909 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.984 0.880 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.043 1.040 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.802 -0.127 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.554 -1.898 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.395 -1.717 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.349 -0.979 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.455 0.053 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.518 -1.778 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.718 -0.012 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.007 -1.084 0.290 1.00 0.00 H new ATOM 638 N GLU A 43 -0.449 -0.750 -4.263 1.00 0.00 N ATOM 639 CA GLU A 43 -0.078 -1.752 -5.248 1.00 0.00 C ATOM 640 C GLU A 43 0.649 -2.916 -4.573 1.00 0.00 C ATOM 641 O GLU A 43 1.692 -2.724 -3.949 1.00 0.00 O ATOM 642 CB GLU A 43 0.780 -1.139 -6.357 1.00 0.00 C ATOM 643 CG GLU A 43 -0.076 -0.756 -7.565 1.00 0.00 C ATOM 644 CD GLU A 43 0.414 0.551 -8.193 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.667 1.495 -7.414 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.524 0.575 -9.438 1.00 0.00 O ATOM 0 H GLU A 43 0.334 -0.350 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.989 -2.136 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.295 -0.256 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.548 -1.850 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.043 -1.554 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.116 -0.649 -7.258 1.00 0.00 H new ATOM 653 N GLY A 44 0.070 -4.099 -4.720 1.00 0.00 N ATOM 654 CA GLY A 44 0.650 -5.294 -4.132 1.00 0.00 C ATOM 655 C GLY A 44 0.916 -6.357 -5.200 1.00 0.00 C ATOM 656 O GLY A 44 0.570 -6.171 -6.366 1.00 0.00 O ATOM 0 H GLY A 44 -0.795 -4.255 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.582 -5.040 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.024 -5.695 -3.375 1.00 0.00 H new ATOM 660 N ARG A 45 1.530 -7.447 -4.764 1.00 0.00 N ATOM 661 CA ARG A 45 1.847 -8.540 -5.669 1.00 0.00 C ATOM 662 C ARG A 45 2.606 -9.641 -4.925 1.00 0.00 C ATOM 663 O ARG A 45 3.327 -9.365 -3.968 1.00 0.00 O ATOM 664 CB ARG A 45 2.693 -8.052 -6.846 1.00 0.00 C ATOM 665 CG ARG A 45 3.982 -7.388 -6.357 1.00 0.00 C ATOM 666 CD ARG A 45 5.042 -7.369 -7.460 1.00 0.00 C ATOM 667 NE ARG A 45 6.394 -7.313 -6.862 1.00 0.00 N ATOM 668 CZ ARG A 45 7.529 -7.492 -7.552 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.481 -7.739 -8.868 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.712 -7.424 -6.926 1.00 0.00 N ATOM 0 H ARG A 45 1.817 -7.597 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 45 0.907 -8.937 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.937 -8.892 -7.496 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.118 -7.343 -7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.770 -6.369 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.365 -7.925 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.947 -8.259 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.887 -6.508 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 45 6.467 -7.126 -5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.581 -7.791 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.345 -7.875 -9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.749 -7.236 -5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.576 -7.560 -7.451 1.00 0.00 H new ATOM 684 N GLN A 46 2.417 -10.866 -5.394 1.00 0.00 N ATOM 685 CA GLN A 46 3.074 -12.010 -4.786 1.00 0.00 C ATOM 686 C GLN A 46 3.873 -12.784 -5.837 1.00 0.00 C ATOM 687 O GLN A 46 3.744 -12.527 -7.033 1.00 0.00 O ATOM 688 CB GLN A 46 2.060 -12.919 -4.089 1.00 0.00 C ATOM 689 CG GLN A 46 1.049 -13.481 -5.090 1.00 0.00 C ATOM 690 CD GLN A 46 0.978 -15.007 -5.000 1.00 0.00 C ATOM 691 OE1 GLN A 46 1.982 -15.700 -4.975 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.260 -15.489 -4.954 1.00 0.00 N ATOM 0 H GLN A 46 1.818 -11.091 -6.188 1.00 0.00 H new ATOM 0 HA GLN A 46 3.766 -11.645 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.581 -13.738 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.537 -12.359 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.064 -13.056 -4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.330 -13.185 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.056 -14.852 -4.979 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.413 -16.496 -4.894 1.00 0.00 H new ATOM 736 N GLY A 50 2.274 -9.887 -11.153 1.00 0.00 N ATOM 737 CA GLY A 50 2.202 -8.574 -11.770 1.00 0.00 C ATOM 738 C GLY A 50 1.614 -7.545 -10.802 1.00 0.00 C ATOM 739 O GLY A 50 0.536 -7.754 -10.247 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.198 -8.259 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.589 -8.624 -12.670 1.00 0.00 H new ATOM 743 N TRP A 51 2.348 -6.455 -10.630 1.00 0.00 N ATOM 744 CA TRP A 51 1.913 -5.393 -9.739 1.00 0.00 C ATOM 745 C TRP A 51 0.409 -5.195 -9.938 1.00 0.00 C ATOM 746 O TRP A 51 -0.018 -4.626 -10.941 1.00 0.00 O ATOM 747 CB TRP A 51 2.720 -4.115 -9.974 1.00 0.00 C ATOM 748 CG TRP A 51 4.065 -4.085 -9.244 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.293 -4.049 -9.779 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.268 -4.089 -7.815 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.269 -4.030 -8.803 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.626 -4.055 -7.571 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.335 -4.121 -6.764 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.173 -4.050 -6.283 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.898 -4.115 -5.482 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.262 -4.081 -5.220 1.00 0.00 C ATOM 0 H TRP A 51 3.241 -6.285 -11.093 1.00 0.00 H new ATOM 0 HA TRP A 51 2.094 -5.664 -8.699 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.896 -4.000 -11.044 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.126 -3.259 -9.655 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.494 -4.036 -10.840 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.277 -4.003 -8.958 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.268 -4.148 -6.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.240 -4.024 -6.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.225 -4.138 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.618 -4.078 -4.200 1.00 0.00 H new ATOM 767 N GLU A 52 -0.352 -5.677 -8.966 1.00 0.00 N ATOM 768 CA GLU A 52 -1.800 -5.560 -9.022 1.00 0.00 C ATOM 769 C GLU A 52 -2.288 -4.518 -8.014 1.00 0.00 C ATOM 770 O GLU A 52 -2.104 -4.681 -6.809 1.00 0.00 O ATOM 771 CB GLU A 52 -2.469 -6.914 -8.778 1.00 0.00 C ATOM 772 CG GLU A 52 -2.775 -7.114 -7.293 1.00 0.00 C ATOM 773 CD GLU A 52 -3.158 -8.567 -7.003 1.00 0.00 C ATOM 774 OE1 GLU A 52 -2.223 -9.393 -6.914 1.00 0.00 O ATOM 775 OE2 GLU A 52 -4.375 -8.820 -6.877 1.00 0.00 O ATOM 0 H GLU A 52 0.006 -6.149 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.080 -5.228 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.392 -6.977 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.818 -7.714 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.904 -6.838 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.588 -6.453 -6.993 1.00 0.00 H new ATOM 782 N VAL A 53 -2.900 -3.469 -8.545 1.00 0.00 N ATOM 783 CA VAL A 53 -3.415 -2.400 -7.706 1.00 0.00 C ATOM 784 C VAL A 53 -4.443 -2.975 -6.729 1.00 0.00 C ATOM 785 O VAL A 53 -5.466 -3.516 -7.147 1.00 0.00 O ATOM 786 CB VAL A 53 -3.982 -1.278 -8.578 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.503 -0.125 -7.718 1.00 0.00 C ATOM 788 CG2 VAL A 53 -2.938 -0.785 -9.583 1.00 0.00 C ATOM 0 H VAL A 53 -3.051 -3.337 -9.545 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.613 -1.960 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.824 -1.683 -9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.900 0.659 -8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.293 -0.489 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.688 0.278 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.366 0.012 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.068 -0.406 -9.047 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.636 -1.610 -10.228 1.00 0.00 H new ATOM 798 N LEU A 54 -4.136 -2.838 -5.448 1.00 0.00 N ATOM 799 CA LEU A 54 -5.020 -3.336 -4.409 1.00 0.00 C ATOM 800 C LEU A 54 -6.107 -2.297 -4.128 1.00 0.00 C ATOM 801 O LEU A 54 -7.256 -2.650 -3.863 1.00 0.00 O ATOM 802 CB LEU A 54 -4.218 -3.738 -3.169 1.00 0.00 C ATOM 803 CG LEU A 54 -3.052 -4.699 -3.408 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.349 -5.044 -2.094 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.517 -5.951 -4.155 1.00 0.00 C ATOM 0 H LEU A 54 -3.287 -2.389 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.524 -4.243 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.828 -2.833 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.900 -4.196 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.321 -4.198 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.524 -5.729 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.963 -4.133 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.058 -5.517 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.669 -6.617 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.278 -6.464 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.937 -5.665 -5.119 1.00 0.00 H new ATOM 817 N ASP A 55 -5.706 -1.036 -4.194 1.00 0.00 N ATOM 818 CA ASP A 55 -6.631 0.058 -3.950 1.00 0.00 C ATOM 819 C ASP A 55 -6.106 1.326 -4.626 1.00 0.00 C ATOM 820 O ASP A 55 -5.141 1.928 -4.159 1.00 0.00 O ATOM 821 CB ASP A 55 -6.766 0.341 -2.453 1.00 0.00 C ATOM 822 CG ASP A 55 -8.126 0.892 -2.018 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.628 1.789 -2.729 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.633 0.403 -0.986 1.00 0.00 O ATOM 0 H ASP A 55 -4.753 -0.747 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.603 -0.227 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.573 -0.582 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.993 1.052 -2.162 1.00 0.00 H new ATOM 829 N PRO A 56 -6.781 1.703 -5.745 1.00 0.00 N ATOM 830 CA PRO A 56 -6.392 2.888 -6.490 1.00 0.00 C ATOM 831 C PRO A 56 -6.823 4.161 -5.758 1.00 0.00 C ATOM 832 O PRO A 56 -6.092 5.151 -5.745 1.00 0.00 O ATOM 833 CB PRO A 56 -7.053 2.732 -7.850 1.00 0.00 C ATOM 834 CG PRO A 56 -8.158 1.706 -7.661 1.00 0.00 C ATOM 835 CD PRO A 56 -7.929 1.014 -6.327 1.00 0.00 C ATOM 0 HA PRO A 56 -5.311 2.983 -6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.458 3.682 -8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.334 2.398 -8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.135 2.190 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.148 0.980 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.806 1.093 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.727 -0.049 -6.462 1.00 0.00 H new ATOM 843 N ALA A 57 -8.008 4.095 -5.168 1.00 0.00 N ATOM 844 CA ALA A 57 -8.544 5.230 -4.437 1.00 0.00 C ATOM 845 C ALA A 57 -8.469 4.945 -2.936 1.00 0.00 C ATOM 846 O ALA A 57 -9.233 4.134 -2.415 1.00 0.00 O ATOM 847 CB ALA A 57 -9.973 5.510 -4.906 1.00 0.00 C ATOM 0 H ALA A 57 -8.612 3.273 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.955 6.126 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.376 6.362 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.968 5.734 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.595 4.634 -4.722 1.00 0.00 H new ATOM 853 N VAL A 58 -7.540 5.628 -2.282 1.00 0.00 N ATOM 854 CA VAL A 58 -7.355 5.459 -0.851 1.00 0.00 C ATOM 855 C VAL A 58 -7.438 6.824 -0.165 1.00 0.00 C ATOM 856 O VAL A 58 -6.805 7.783 -0.605 1.00 0.00 O ATOM 857 CB VAL A 58 -6.038 4.731 -0.576 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.750 4.666 0.925 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.046 3.331 -1.194 1.00 0.00 C ATOM 0 H VAL A 58 -6.908 6.299 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.148 4.837 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.236 5.300 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.808 4.143 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.680 5.677 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.556 4.131 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.098 2.835 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.863 2.749 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.183 3.410 -2.272 1.00 0.00 H new ATOM 869 N ALA A 59 -8.223 6.869 0.901 1.00 0.00 N ATOM 870 CA ALA A 59 -8.397 8.101 1.652 1.00 0.00 C ATOM 871 C ALA A 59 -7.062 8.847 1.714 1.00 0.00 C ATOM 872 O ALA A 59 -6.054 8.288 2.145 1.00 0.00 O ATOM 873 CB ALA A 59 -8.950 7.778 3.041 1.00 0.00 C ATOM 0 H ALA A 59 -8.746 6.072 1.263 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.117 8.754 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.081 8.702 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.912 7.274 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.252 7.127 3.568 1.00 0.00 H new ATOM 879 N GLY A 60 -7.099 10.097 1.279 1.00 0.00 N ATOM 880 CA GLY A 60 -5.906 10.926 1.280 1.00 0.00 C ATOM 881 C GLY A 60 -5.500 11.301 2.707 1.00 0.00 C ATOM 882 O GLY A 60 -4.452 11.909 2.919 1.00 0.00 O ATOM 0 H GLY A 60 -7.937 10.557 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.089 10.394 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.087 11.831 0.700 1.00 0.00 H new ATOM 886 N THR A 61 -6.351 10.921 3.649 1.00 0.00 N ATOM 887 CA THR A 61 -6.094 11.209 5.050 1.00 0.00 C ATOM 888 C THR A 61 -5.830 9.915 5.821 1.00 0.00 C ATOM 889 O THR A 61 -5.619 9.942 7.033 1.00 0.00 O ATOM 890 CB THR A 61 -7.279 12.010 5.593 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.392 11.134 5.433 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.624 13.215 4.715 1.00 0.00 C ATOM 0 H THR A 61 -7.219 10.416 3.470 1.00 0.00 H new ATOM 0 HA THR A 61 -5.194 11.811 5.171 1.00 0.00 H new ATOM 0 HB THR A 61 -7.054 12.351 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.204 11.573 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.472 13.748 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.765 13.883 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.882 12.873 3.713 1.00 0.00 H new ATOM 900 N GLU A 62 -5.851 8.812 5.087 1.00 0.00 N ATOM 901 CA GLU A 62 -5.617 7.509 5.688 1.00 0.00 C ATOM 902 C GLU A 62 -4.118 7.278 5.886 1.00 0.00 C ATOM 903 O GLU A 62 -3.295 7.925 5.239 1.00 0.00 O ATOM 904 CB GLU A 62 -6.236 6.396 4.840 1.00 0.00 C ATOM 905 CG GLU A 62 -7.588 5.961 5.410 1.00 0.00 C ATOM 906 CD GLU A 62 -7.404 4.982 6.571 1.00 0.00 C ATOM 907 OE1 GLU A 62 -6.924 5.441 7.630 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.749 3.797 6.374 1.00 0.00 O ATOM 0 H GLU A 62 -6.026 8.793 4.082 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.100 7.488 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.364 6.743 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.560 5.542 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.141 6.836 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.184 5.493 4.626 1.00 0.00 H new ATOM 915 N THR A 63 -3.807 6.353 6.782 1.00 0.00 N ATOM 916 CA THR A 63 -2.421 6.028 7.073 1.00 0.00 C ATOM 917 C THR A 63 -2.221 4.511 7.091 1.00 0.00 C ATOM 918 O THR A 63 -1.150 4.027 7.452 1.00 0.00 O ATOM 919 CB THR A 63 -2.044 6.706 8.392 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.207 6.561 9.203 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.879 8.220 8.246 1.00 0.00 C ATOM 0 H THR A 63 -4.492 5.818 7.316 1.00 0.00 H new ATOM 0 HA THR A 63 -1.755 6.403 6.296 1.00 0.00 H new ATOM 0 HB THR A 63 -1.117 6.274 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.049 6.972 10.078 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.612 8.652 9.211 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.092 8.432 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.816 8.656 7.900 1.00 0.00 H new ATOM 929 N GLU A 64 -3.270 3.804 6.697 1.00 0.00 N ATOM 930 CA GLU A 64 -3.223 2.352 6.663 1.00 0.00 C ATOM 931 C GLU A 64 -4.432 1.799 5.905 1.00 0.00 C ATOM 932 O GLU A 64 -5.350 2.545 5.566 1.00 0.00 O ATOM 933 CB GLU A 64 -3.151 1.773 8.078 1.00 0.00 C ATOM 934 CG GLU A 64 -4.248 2.360 8.967 1.00 0.00 C ATOM 935 CD GLU A 64 -5.486 1.461 8.979 1.00 0.00 C ATOM 936 OE1 GLU A 64 -6.136 1.376 7.914 1.00 0.00 O ATOM 937 OE2 GLU A 64 -5.754 0.878 10.051 1.00 0.00 O ATOM 0 H GLU A 64 -4.157 4.209 6.399 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.319 2.049 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.253 0.689 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.174 1.985 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.872 2.480 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.519 3.353 8.608 1.00 0.00 H new ATOM 944 N LEU A 65 -4.393 0.498 5.662 1.00 0.00 N ATOM 945 CA LEU A 65 -5.474 -0.163 4.951 1.00 0.00 C ATOM 946 C LEU A 65 -5.332 -1.678 5.109 1.00 0.00 C ATOM 947 O LEU A 65 -4.230 -2.183 5.317 1.00 0.00 O ATOM 948 CB LEU A 65 -5.519 0.301 3.494 1.00 0.00 C ATOM 949 CG LEU A 65 -6.467 -0.470 2.573 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.909 0.013 2.741 1.00 0.00 C ATOM 951 CD2 LEU A 65 -6.002 -0.391 1.117 1.00 0.00 C ATOM 0 H LEU A 65 -3.630 -0.117 5.945 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.437 0.114 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.804 1.353 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.512 0.237 3.082 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.444 -1.521 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.562 -0.551 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.225 -0.138 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.969 1.073 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.693 -0.947 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.977 0.651 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.004 -0.821 1.030 1.00 0.00 H new ATOM 963 N LEU A 66 -6.462 -2.361 5.004 1.00 0.00 N ATOM 964 CA LEU A 66 -6.477 -3.808 5.133 1.00 0.00 C ATOM 965 C LEU A 66 -6.495 -4.440 3.740 1.00 0.00 C ATOM 966 O LEU A 66 -7.244 -4.004 2.866 1.00 0.00 O ATOM 967 CB LEU A 66 -7.637 -4.255 6.026 1.00 0.00 C ATOM 968 CG LEU A 66 -7.581 -5.700 6.525 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.865 -5.786 7.874 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.981 -6.316 6.578 1.00 0.00 C ATOM 0 H LEU A 66 -7.374 -1.939 4.831 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.571 -4.155 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.679 -3.594 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.567 -4.118 5.475 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.999 -6.286 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.839 -6.824 8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.846 -5.413 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.399 -5.183 8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.913 -7.343 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.608 -5.736 7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.420 -6.308 5.580 1.00 0.00 H new ATOM 982 N VAL A 67 -5.662 -5.457 3.575 1.00 0.00 N ATOM 983 CA VAL A 67 -5.572 -6.152 2.303 1.00 0.00 C ATOM 984 C VAL A 67 -5.642 -7.661 2.546 1.00 0.00 C ATOM 985 O VAL A 67 -4.613 -8.330 2.622 1.00 0.00 O ATOM 986 CB VAL A 67 -4.305 -5.725 1.560 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.082 -6.586 0.315 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.357 -4.239 1.198 1.00 0.00 C ATOM 0 H VAL A 67 -5.043 -5.816 4.302 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.413 -5.885 1.663 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.457 -5.878 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.175 -6.261 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.979 -7.631 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.933 -6.480 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.445 -3.961 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.218 -4.051 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.445 -3.646 2.108 1.00 0.00 H new ATOM 998 N PRO A 68 -6.899 -8.167 2.663 1.00 0.00 N ATOM 999 CA PRO A 68 -7.117 -9.585 2.896 1.00 0.00 C ATOM 1000 C PRO A 68 -6.874 -10.393 1.620 1.00 0.00 C ATOM 1001 O PRO A 68 -6.881 -11.623 1.650 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.548 -9.686 3.400 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.226 -8.388 2.991 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.142 -7.405 2.579 1.00 0.00 C ATOM 0 HA PRO A 68 -6.422 -10.004 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.056 -10.546 2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.573 -9.816 4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.917 -8.562 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.811 -7.986 3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.310 -7.031 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.121 -6.539 3.240 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.665 -9.670 0.530 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.420 -10.305 -0.754 1.00 0.00 C ATOM 1014 C GLY A 69 -4.998 -10.864 -0.827 1.00 0.00 C ATOM 1015 O GLY A 69 -4.275 -10.609 -1.789 1.00 0.00 O ATOM 0 H GLY A 69 -6.660 -8.650 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.139 -11.109 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.572 -9.583 -1.556 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.638 -11.615 0.203 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.315 -12.213 0.268 1.00 0.00 C ATOM 1021 C LEU A 70 -3.442 -13.734 0.172 1.00 0.00 C ATOM 1022 O LEU A 70 -4.507 -14.290 0.436 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.572 -11.735 1.517 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.247 -10.241 1.574 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.922 -9.995 2.298 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.258 -9.624 0.174 1.00 0.00 C ATOM 0 H LEU A 70 -5.240 -11.823 1.000 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.709 -11.890 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.171 -11.990 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.639 -12.293 1.596 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.026 -9.744 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.715 -8.925 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.988 -10.377 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.118 -10.507 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.024 -8.562 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.513 -10.120 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.245 -9.750 -0.271 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.340 -14.365 -0.206 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.314 -15.812 -0.340 1.00 0.00 C ATOM 1040 C ILE A 71 -1.320 -16.395 0.667 1.00 0.00 C ATOM 1041 O ILE A 71 -0.555 -15.659 1.287 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.028 -16.211 -1.789 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -2.941 -15.456 -2.756 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.130 -17.727 -1.970 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.284 -16.172 -2.916 1.00 0.00 C ATOM 0 H ILE A 71 -1.458 -13.901 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.291 -16.234 -0.105 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.003 -15.926 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.107 -14.443 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.454 -15.368 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.922 -17.984 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.405 -18.220 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.135 -18.058 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.914 -15.614 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.117 -17.176 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.779 -16.237 -1.947 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.365 -17.713 0.798 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.477 -18.404 1.718 1.00 0.00 C ATOM 1059 C LYS A 72 0.665 -19.049 0.931 1.00 0.00 C ATOM 1060 O LYS A 72 0.502 -19.390 -0.239 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.265 -19.391 2.582 1.00 0.00 C ATOM 1062 CG LYS A 72 -1.882 -20.499 1.725 1.00 0.00 C ATOM 1063 CD LYS A 72 -1.683 -21.870 2.374 1.00 0.00 C ATOM 1064 CE LYS A 72 -2.957 -22.327 3.089 1.00 0.00 C ATOM 1065 NZ LYS A 72 -3.141 -23.787 2.935 1.00 0.00 N ATOM 0 H LYS A 72 -2.002 -18.320 0.283 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.024 -17.698 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.606 -19.830 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.052 -18.862 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.947 -20.308 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.428 -20.493 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.407 -22.600 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.859 -21.824 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.899 -22.071 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.819 -21.800 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.010 -24.081 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.217 -24.023 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.326 -24.285 3.346 1.00 0.00 H new ATOM 1079 N ASP A 73 1.795 -19.199 1.606 1.00 0.00 N ATOM 1080 CA ASP A 73 2.964 -19.798 0.984 1.00 0.00 C ATOM 1081 C ASP A 73 3.513 -18.847 -0.082 1.00 0.00 C ATOM 1082 O ASP A 73 4.289 -19.257 -0.943 1.00 0.00 O ATOM 1083 CB ASP A 73 2.608 -21.120 0.301 1.00 0.00 C ATOM 1084 CG ASP A 73 3.684 -22.204 0.390 1.00 0.00 C ATOM 1085 OD1 ASP A 73 3.811 -22.788 1.487 1.00 0.00 O ATOM 1086 OD2 ASP A 73 4.354 -22.424 -0.642 1.00 0.00 O ATOM 0 H ASP A 73 1.926 -18.916 2.577 1.00 0.00 H new ATOM 0 HA ASP A 73 3.703 -19.983 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.689 -21.504 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.398 -20.923 -0.750 1.00 0.00 H new ATOM 1091 N VAL A 74 3.088 -17.596 0.012 1.00 0.00 N ATOM 1092 CA VAL A 74 3.527 -16.584 -0.934 1.00 0.00 C ATOM 1093 C VAL A 74 3.972 -15.336 -0.169 1.00 0.00 C ATOM 1094 O VAL A 74 3.739 -15.225 1.034 1.00 0.00 O ATOM 1095 CB VAL A 74 2.418 -16.299 -1.949 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.925 -17.593 -2.599 1.00 0.00 C ATOM 1097 CG2 VAL A 74 1.261 -15.538 -1.298 1.00 0.00 C ATOM 0 H VAL A 74 2.444 -17.260 0.728 1.00 0.00 H new ATOM 0 HA VAL A 74 4.386 -16.941 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 74 2.836 -15.667 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.137 -17.363 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.753 -18.080 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.533 -18.260 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.486 -15.348 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.846 -16.133 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.626 -14.590 -0.904 1.00 0.00 H new ATOM 1107 N LEU A 75 4.604 -14.428 -0.897 1.00 0.00 N ATOM 1108 CA LEU A 75 5.084 -13.192 -0.302 1.00 0.00 C ATOM 1109 C LEU A 75 4.492 -12.003 -1.061 1.00 0.00 C ATOM 1110 O LEU A 75 5.036 -11.579 -2.079 1.00 0.00 O ATOM 1111 CB LEU A 75 6.613 -13.184 -0.242 1.00 0.00 C ATOM 1112 CG LEU A 75 7.231 -12.592 1.025 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.229 -11.697 1.758 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.785 -13.693 1.932 1.00 0.00 C ATOM 0 H LEU A 75 4.795 -14.523 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 75 4.748 -13.111 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.966 -14.209 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.988 -12.626 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 75 8.071 -11.963 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.694 -11.289 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.924 -10.880 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.354 -12.284 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.219 -13.244 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.979 -14.368 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.553 -14.252 1.398 1.00 0.00 H new ATOM 1126 N TYR A 76 3.386 -11.498 -0.535 1.00 0.00 N ATOM 1127 CA TYR A 76 2.714 -10.365 -1.150 1.00 0.00 C ATOM 1128 C TYR A 76 3.381 -9.048 -0.748 1.00 0.00 C ATOM 1129 O TYR A 76 3.555 -8.773 0.439 1.00 0.00 O ATOM 1130 CB TYR A 76 1.281 -10.383 -0.613 1.00 0.00 C ATOM 1131 CG TYR A 76 0.262 -10.988 -1.580 1.00 0.00 C ATOM 1132 CD1 TYR A 76 0.023 -12.347 -1.570 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.419 -10.174 -2.463 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -0.937 -12.916 -2.480 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.378 -10.743 -3.373 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.590 -12.086 -3.337 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.496 -12.624 -4.197 1.00 0.00 O ATOM 0 H TYR A 76 2.938 -11.852 0.310 1.00 0.00 H new ATOM 0 HA TYR A 76 2.754 -10.438 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.260 -10.947 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.980 -9.363 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.556 -12.984 -0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.232 -9.110 -2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.134 -13.978 -2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.917 -10.117 -4.069 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.885 -11.914 -4.748 1.00 0.00 H new ATOM 1147 N GLU A 77 3.735 -8.269 -1.759 1.00 0.00 N ATOM 1148 CA GLU A 77 4.379 -6.987 -1.525 1.00 0.00 C ATOM 1149 C GLU A 77 3.331 -5.875 -1.440 1.00 0.00 C ATOM 1150 O GLU A 77 2.132 -6.140 -1.513 1.00 0.00 O ATOM 1151 CB GLU A 77 5.411 -6.686 -2.614 1.00 0.00 C ATOM 1152 CG GLU A 77 6.763 -7.318 -2.277 1.00 0.00 C ATOM 1153 CD GLU A 77 7.517 -7.710 -3.549 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.090 -6.792 -4.175 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.503 -8.919 -3.868 1.00 0.00 O ATOM 0 H GLU A 77 3.588 -8.500 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 77 4.907 -7.035 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.056 -7.067 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.526 -5.608 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.362 -6.616 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.611 -8.199 -1.654 1.00 0.00 H new ATOM 1162 N PHE A 78 3.822 -4.654 -1.287 1.00 0.00 N ATOM 1163 CA PHE A 78 2.944 -3.500 -1.191 1.00 0.00 C ATOM 1164 C PHE A 78 3.713 -2.203 -1.448 1.00 0.00 C ATOM 1165 O PHE A 78 4.823 -2.025 -0.948 1.00 0.00 O ATOM 1166 CB PHE A 78 2.390 -3.478 0.235 1.00 0.00 C ATOM 1167 CG PHE A 78 1.537 -4.697 0.591 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.282 -4.821 0.081 1.00 0.00 C ATOM 1169 CD2 PHE A 78 2.033 -5.656 1.417 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.510 -5.953 0.411 1.00 0.00 C ATOM 1171 CE2 PHE A 78 1.241 -6.788 1.747 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.013 -6.912 1.237 1.00 0.00 C ATOM 0 H PHE A 78 4.817 -4.439 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 78 2.150 -3.573 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.222 -3.413 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.791 -2.577 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.112 -4.059 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.029 -5.557 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.506 -6.052 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.635 -7.550 2.403 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.615 -7.773 1.488 1.00 0.00 H new ATOM 1182 N ARG A 79 3.092 -1.329 -2.226 1.00 0.00 N ATOM 1183 CA ARG A 79 3.704 -0.053 -2.555 1.00 0.00 C ATOM 1184 C ARG A 79 2.637 1.040 -2.646 1.00 0.00 C ATOM 1185 O ARG A 79 1.693 0.927 -3.427 1.00 0.00 O ATOM 1186 CB ARG A 79 4.459 -0.130 -3.884 1.00 0.00 C ATOM 1187 CG ARG A 79 3.488 -0.257 -5.060 1.00 0.00 C ATOM 1188 CD ARG A 79 4.231 -0.625 -6.346 1.00 0.00 C ATOM 1189 NE ARG A 79 3.740 0.206 -7.468 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.973 -0.064 -8.760 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.690 -1.143 -9.101 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.488 0.746 -9.712 1.00 0.00 N ATOM 0 H ARG A 79 2.171 -1.479 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 79 4.411 0.189 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.073 0.762 -4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.136 -0.984 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.739 -1.017 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.955 0.684 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.302 -0.475 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.083 -1.681 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 79 3.190 1.036 -7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.059 -1.760 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.867 -1.348 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.942 1.568 -9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.665 0.541 -10.695 1.00 0.00 H new ATOM 1206 N LEU A 80 2.822 2.073 -1.837 1.00 0.00 N ATOM 1207 CA LEU A 80 1.887 3.185 -1.817 1.00 0.00 C ATOM 1208 C LEU A 80 2.481 4.359 -2.597 1.00 0.00 C ATOM 1209 O LEU A 80 3.680 4.620 -2.516 1.00 0.00 O ATOM 1210 CB LEU A 80 1.502 3.534 -0.378 1.00 0.00 C ATOM 1211 CG LEU A 80 0.022 3.840 -0.135 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.871 2.786 -0.795 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.270 3.984 1.360 1.00 0.00 C ATOM 0 H LEU A 80 3.606 2.163 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 80 0.957 2.910 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.791 2.704 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.087 4.399 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.210 4.797 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.917 3.027 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.688 2.775 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.644 1.805 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.328 4.201 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.017 3.055 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.327 4.798 1.771 1.00 0.00 H new ATOM 1225 N VAL A 81 1.614 5.037 -3.335 1.00 0.00 N ATOM 1226 CA VAL A 81 2.038 6.178 -4.129 1.00 0.00 C ATOM 1227 C VAL A 81 0.998 7.293 -4.006 1.00 0.00 C ATOM 1228 O VAL A 81 -0.106 7.179 -4.536 1.00 0.00 O ATOM 1229 CB VAL A 81 2.283 5.746 -5.576 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.777 4.322 -5.816 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.643 6.729 -6.557 1.00 0.00 C ATOM 0 H VAL A 81 0.620 4.818 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 81 2.984 6.573 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 81 3.359 5.752 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.963 4.039 -6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.300 3.633 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.707 4.277 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.832 6.399 -7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.568 6.770 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.072 7.720 -6.411 1.00 0.00 H new ATOM 1241 N ALA A 82 1.387 8.347 -3.304 1.00 0.00 N ATOM 1242 CA ALA A 82 0.503 9.483 -3.105 1.00 0.00 C ATOM 1243 C ALA A 82 0.412 10.287 -4.403 1.00 0.00 C ATOM 1244 O ALA A 82 1.405 10.442 -5.112 1.00 0.00 O ATOM 1245 CB ALA A 82 1.009 10.325 -1.932 1.00 0.00 C ATOM 0 H ALA A 82 2.303 8.438 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.503 9.146 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.346 11.177 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.026 9.716 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.016 10.682 -2.148 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.788 10.777 -4.676 1.00 0.00 N ATOM 1252 CA PHE A 83 -1.022 11.561 -5.876 1.00 0.00 C ATOM 1253 C PHE A 83 -2.064 12.652 -5.625 1.00 0.00 C ATOM 1254 O PHE A 83 -3.063 12.416 -4.946 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.553 10.600 -6.942 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.965 10.080 -6.663 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.030 10.921 -6.756 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.155 8.777 -6.321 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.340 10.439 -6.497 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.465 8.295 -6.062 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.530 9.136 -6.156 1.00 0.00 C ATOM 0 H PHE A 83 -1.609 10.646 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.097 12.046 -6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.547 11.106 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.874 9.751 -7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.879 11.956 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.309 8.109 -6.247 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.186 11.107 -6.571 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.616 7.261 -5.790 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.527 8.769 -5.960 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.797 13.822 -6.185 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.699 14.950 -6.030 1.00 0.00 C ATOM 1273 C ALA A 84 -3.113 15.460 -7.412 1.00 0.00 C ATOM 1274 O ALA A 84 -2.322 16.099 -8.104 1.00 0.00 O ATOM 1275 CB ALA A 84 -2.023 16.033 -5.187 1.00 0.00 C ATOM 0 H ALA A 84 -0.968 14.014 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.605 14.647 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.700 16.879 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.776 15.629 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.111 16.364 -5.683 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.352 15.159 -7.772 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.880 15.580 -9.059 1.00 0.00 C ATOM 1283 C GLY A 85 -3.757 15.753 -10.083 1.00 0.00 C ATOM 1284 O GLY A 85 -3.146 16.817 -10.165 1.00 0.00 O ATOM 0 H GLY A 85 -5.005 14.629 -7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.596 14.842 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.420 16.520 -8.944 1.00 0.00 H new ATOM 1288 N SER A 86 -3.518 14.690 -10.838 1.00 0.00 N ATOM 1289 CA SER A 86 -2.479 14.711 -11.853 1.00 0.00 C ATOM 1290 C SER A 86 -1.140 14.300 -11.239 1.00 0.00 C ATOM 1291 O SER A 86 -0.540 13.310 -11.656 1.00 0.00 O ATOM 1292 CB SER A 86 -2.365 16.095 -12.496 1.00 0.00 C ATOM 1293 OG SER A 86 -1.805 16.031 -13.805 1.00 0.00 O ATOM 0 H SER A 86 -4.027 13.809 -10.767 1.00 0.00 H new ATOM 0 HA SER A 86 -2.748 13.999 -12.633 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.352 16.554 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.747 16.737 -11.868 1.00 0.00 H new ATOM 0 HG SER A 86 -1.750 16.934 -14.182 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.709 15.080 -10.258 1.00 0.00 N ATOM 1300 CA PHE A 87 0.548 14.809 -9.583 1.00 0.00 C ATOM 1301 C PHE A 87 0.547 13.410 -8.963 1.00 0.00 C ATOM 1302 O PHE A 87 -0.258 13.118 -8.081 1.00 0.00 O ATOM 1303 CB PHE A 87 0.690 15.847 -8.468 1.00 0.00 C ATOM 1304 CG PHE A 87 0.900 17.276 -8.972 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.173 18.077 -9.211 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.159 17.746 -9.181 1.00 0.00 C ATOM 1307 CE1 PHE A 87 0.022 19.404 -9.679 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.354 19.072 -9.649 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.281 19.874 -9.888 1.00 0.00 C ATOM 0 H PHE A 87 -1.209 15.900 -9.915 1.00 0.00 H new ATOM 0 HA PHE A 87 1.371 14.861 -10.295 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.204 15.820 -7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.531 15.570 -7.832 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.173 17.704 -9.045 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.011 17.110 -8.991 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.830 20.040 -9.869 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.354 19.444 -9.815 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.429 20.883 -10.243 1.00 0.00 H new ATOM 1319 N VAL A 88 1.459 12.581 -9.450 1.00 0.00 N ATOM 1320 CA VAL A 88 1.574 11.220 -8.956 1.00 0.00 C ATOM 1321 C VAL A 88 2.946 11.032 -8.305 1.00 0.00 C ATOM 1322 O VAL A 88 3.970 11.071 -8.986 1.00 0.00 O ATOM 1323 CB VAL A 88 1.308 10.227 -10.089 1.00 0.00 C ATOM 1324 CG1 VAL A 88 1.864 8.843 -9.747 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -0.185 10.154 -10.415 1.00 0.00 C ATOM 0 H VAL A 88 2.125 12.826 -10.182 1.00 0.00 H new ATOM 0 HA VAL A 88 0.822 11.027 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 88 1.827 10.586 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.662 8.156 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.940 8.912 -9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.387 8.473 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.346 9.441 -11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.735 9.831 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.539 11.138 -10.723 1.00 0.00 H new ATOM 1335 N SER A 89 2.923 10.832 -6.996 1.00 0.00 N ATOM 1336 CA SER A 89 4.152 10.638 -6.246 1.00 0.00 C ATOM 1337 C SER A 89 4.687 9.223 -6.475 1.00 0.00 C ATOM 1338 O SER A 89 3.943 8.333 -6.886 1.00 0.00 O ATOM 1339 CB SER A 89 3.932 10.887 -4.753 1.00 0.00 C ATOM 1340 OG SER A 89 3.452 9.725 -4.083 1.00 0.00 O ATOM 0 H SER A 89 2.072 10.800 -6.435 1.00 0.00 H new ATOM 0 HA SER A 89 4.887 11.360 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.869 11.207 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.219 11.701 -4.622 1.00 0.00 H new ATOM 0 HG SER A 89 2.716 9.332 -4.597 1.00 0.00 H new ATOM 1346 N ASP A 90 5.972 9.058 -6.199 1.00 0.00 N ATOM 1347 CA ASP A 90 6.615 7.766 -6.370 1.00 0.00 C ATOM 1348 C ASP A 90 6.067 6.788 -5.329 1.00 0.00 C ATOM 1349 O ASP A 90 5.599 7.201 -4.269 1.00 0.00 O ATOM 1350 CB ASP A 90 8.128 7.873 -6.169 1.00 0.00 C ATOM 1351 CG ASP A 90 8.917 8.288 -7.412 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.276 8.406 -8.478 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.144 8.477 -7.268 1.00 0.00 O ATOM 0 H ASP A 90 6.586 9.798 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 90 6.410 7.418 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.324 8.594 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.503 6.909 -5.824 1.00 0.00 H new ATOM 1358 N PRO A 91 6.147 5.475 -5.676 1.00 0.00 N ATOM 1359 CA PRO A 91 5.665 4.434 -4.784 1.00 0.00 C ATOM 1360 C PRO A 91 6.633 4.221 -3.618 1.00 0.00 C ATOM 1361 O PRO A 91 7.749 3.742 -3.813 1.00 0.00 O ATOM 1362 CB PRO A 91 5.512 3.203 -5.662 1.00 0.00 C ATOM 1363 CG PRO A 91 6.349 3.469 -6.902 1.00 0.00 C ATOM 1364 CD PRO A 91 6.696 4.949 -6.922 1.00 0.00 C ATOM 0 HA PRO A 91 4.716 4.690 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.856 2.308 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.467 3.038 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.256 2.865 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.797 3.194 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.774 5.102 -6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.260 5.446 -7.788 1.00 0.00 H new ATOM 1372 N SER A 92 6.169 4.586 -2.431 1.00 0.00 N ATOM 1373 CA SER A 92 6.980 4.440 -1.234 1.00 0.00 C ATOM 1374 C SER A 92 7.642 3.061 -1.215 1.00 0.00 C ATOM 1375 O SER A 92 7.355 2.219 -2.065 1.00 0.00 O ATOM 1376 CB SER A 92 6.139 4.642 0.028 1.00 0.00 C ATOM 1377 OG SER A 92 4.969 3.829 0.026 1.00 0.00 O ATOM 0 H SER A 92 5.242 4.982 -2.273 1.00 0.00 H new ATOM 0 HA SER A 92 7.754 5.207 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.741 4.408 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.852 5.690 0.108 1.00 0.00 H new ATOM 0 HG SER A 92 4.502 3.926 0.882 1.00 0.00 H new ATOM 1383 N ASN A 93 8.515 2.872 -0.237 1.00 0.00 N ATOM 1384 CA ASN A 93 9.221 1.610 -0.096 1.00 0.00 C ATOM 1385 C ASN A 93 8.238 0.455 -0.305 1.00 0.00 C ATOM 1386 O ASN A 93 7.026 0.665 -0.332 1.00 0.00 O ATOM 1387 CB ASN A 93 9.825 1.469 1.302 1.00 0.00 C ATOM 1388 CG ASN A 93 8.821 1.887 2.378 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.403 3.030 2.464 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.458 0.899 3.192 1.00 0.00 N ATOM 0 H ASN A 93 8.750 3.572 0.466 1.00 0.00 H new ATOM 0 HA ASN A 93 10.020 1.586 -0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.131 0.436 1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.722 2.084 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.791 1.076 3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.846 -0.036 3.065 1.00 0.00 H new ATOM 1397 N THR A 94 8.797 -0.737 -0.446 1.00 0.00 N ATOM 1398 CA THR A 94 7.985 -1.925 -0.652 1.00 0.00 C ATOM 1399 C THR A 94 7.870 -2.723 0.648 1.00 0.00 C ATOM 1400 O THR A 94 8.868 -2.955 1.329 1.00 0.00 O ATOM 1401 CB THR A 94 8.599 -2.724 -1.803 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.133 -1.728 -2.671 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.542 -3.431 -2.653 1.00 0.00 C ATOM 0 H THR A 94 9.803 -0.907 -0.422 1.00 0.00 H new ATOM 0 HA THR A 94 6.964 -1.663 -0.928 1.00 0.00 H new ATOM 0 HB THR A 94 9.296 -3.461 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.552 -2.159 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.030 -3.983 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.976 -4.122 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.865 -2.692 -3.081 1.00 0.00 H new ATOM 1411 N ALA A 95 6.644 -3.121 0.954 1.00 0.00 N ATOM 1412 CA ALA A 95 6.385 -3.889 2.160 1.00 0.00 C ATOM 1413 C ALA A 95 5.692 -5.200 1.786 1.00 0.00 C ATOM 1414 O ALA A 95 4.966 -5.262 0.795 1.00 0.00 O ATOM 1415 CB ALA A 95 5.556 -3.048 3.133 1.00 0.00 C ATOM 0 H ALA A 95 5.819 -2.926 0.387 1.00 0.00 H new ATOM 0 HA ALA A 95 7.319 -4.142 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.362 -3.624 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.105 -2.142 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.610 -2.777 2.665 1.00 0.00 H new ATOM 1421 N ASN A 96 5.939 -6.217 2.600 1.00 0.00 N ATOM 1422 CA ASN A 96 5.348 -7.523 2.367 1.00 0.00 C ATOM 1423 C ASN A 96 5.160 -8.239 3.706 1.00 0.00 C ATOM 1424 O ASN A 96 5.707 -7.815 4.723 1.00 0.00 O ATOM 1425 CB ASN A 96 6.254 -8.390 1.490 1.00 0.00 C ATOM 1426 CG ASN A 96 7.644 -8.535 2.114 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.802 -8.941 3.253 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.639 -8.182 1.305 1.00 0.00 N ATOM 0 H ASN A 96 6.541 -6.162 3.422 1.00 0.00 H new ATOM 0 HA ASN A 96 4.393 -7.376 1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.805 -9.375 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.341 -7.945 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.605 -8.243 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.436 -7.850 0.362 1.00 0.00 H new ATOM 1435 N VAL A 97 4.385 -9.313 3.663 1.00 0.00 N ATOM 1436 CA VAL A 97 4.118 -10.092 4.860 1.00 0.00 C ATOM 1437 C VAL A 97 4.297 -11.578 4.546 1.00 0.00 C ATOM 1438 O VAL A 97 3.812 -12.064 3.525 1.00 0.00 O ATOM 1439 CB VAL A 97 2.726 -9.759 5.402 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.367 -8.297 5.128 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.671 -10.701 4.819 1.00 0.00 C ATOM 0 H VAL A 97 3.933 -9.662 2.818 1.00 0.00 H new ATOM 0 HA VAL A 97 4.828 -9.838 5.647 1.00 0.00 H new ATOM 0 HB VAL A 97 2.743 -9.903 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.373 -8.086 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.095 -7.647 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.376 -8.115 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.691 -10.443 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.656 -10.603 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.913 -11.729 5.087 1.00 0.00 H new ATOM 1451 N SER A 98 4.995 -12.260 5.443 1.00 0.00 N ATOM 1452 CA SER A 98 5.244 -13.681 5.275 1.00 0.00 C ATOM 1453 C SER A 98 3.969 -14.474 5.566 1.00 0.00 C ATOM 1454 O SER A 98 3.180 -14.093 6.429 1.00 0.00 O ATOM 1455 CB SER A 98 6.381 -14.153 6.183 1.00 0.00 C ATOM 1456 OG SER A 98 7.255 -15.061 5.518 1.00 0.00 O ATOM 0 H SER A 98 5.396 -11.854 6.289 1.00 0.00 H new ATOM 0 HA SER A 98 5.545 -13.855 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.950 -13.290 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.963 -14.634 7.067 1.00 0.00 H new ATOM 0 HG SER A 98 7.968 -15.337 6.131 1.00 0.00 H new