USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 815 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 23 HIS : no HD1:sc= 1.29 K(o=2.3,f=-9!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 0.428 K(o=2.3,f=-0.4) USER MOD Set 1.3: A 113 CYS SG : rot -169:sc= 0.546 USER MOD Set 2.1: A 109 THR OG1 : rot 127:sc= 0.484 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.996 K(o=1.5,f=-0.66) USER MOD Set 3.1: A 80 HIS : no HD1:sc= 0.369 K(o=2,f=-3.9!) USER MOD Set 3.2: A 118 ASN : amide:sc= 1.68 K(o=2,f=-2.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.455 USER MOD Single : A 27 TYR OH : rot -151:sc= 1.17 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -119:sc= 2.36 (180deg=-0.222) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 1.3 (180deg=1.24) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 84:sc= 1.94 USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.15) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.18 K(o=1.2,f=-0.23) USER MOD Single : A 77 ASN : amide:sc= 1.14 K(o=1.1,f=-1.3) USER MOD Single : A 78 ASN : amide:sc= 1.27! C(o=1.3!,f=-7.4!) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.18) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.17) USER MOD Single : A 84 TYR OH : rot 39:sc= 0.338 USER MOD Single : A 85 SER OG : rot -159:sc= 1.12 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0614 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 102 GLN : amide:sc= 0.786 K(o=0.79,f=-0.055) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= 1.08 (180deg=0.725) USER MOD Single : A 110 SER OG : rot -39:sc= 1.26 USER MOD Single : A 115 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.29) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.745 -5.383 8.712 1.00 0.00 N ATOM 117 CA PRO A 8 5.501 -6.142 8.799 1.00 0.00 C ATOM 118 C PRO A 8 5.354 -6.811 10.171 1.00 0.00 C ATOM 119 O PRO A 8 6.343 -7.188 10.808 1.00 0.00 O ATOM 120 CB PRO A 8 5.561 -7.186 7.676 1.00 0.00 C ATOM 121 CG PRO A 8 7.048 -7.322 7.360 1.00 0.00 C ATOM 122 CD PRO A 8 7.610 -5.947 7.684 1.00 0.00 C ATOM 0 HA PRO A 8 4.634 -5.491 8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.134 -8.137 7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.997 -6.861 6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.517 -8.099 7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.213 -7.587 6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.638 -6.021 8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.624 -5.314 6.797 1.00 0.00 H new ATOM 130 N LYS A 9 4.111 -6.993 10.617 1.00 0.00 N ATOM 131 CA LYS A 9 3.816 -7.813 11.787 1.00 0.00 C ATOM 132 C LYS A 9 3.920 -9.282 11.363 1.00 0.00 C ATOM 133 O LYS A 9 3.574 -9.600 10.221 1.00 0.00 O ATOM 134 CB LYS A 9 2.397 -7.522 12.311 1.00 0.00 C ATOM 135 CG LYS A 9 2.134 -6.054 12.701 1.00 0.00 C ATOM 136 CD LYS A 9 3.075 -5.471 13.768 1.00 0.00 C ATOM 137 CE LYS A 9 2.978 -6.225 15.104 1.00 0.00 C ATOM 138 NZ LYS A 9 3.825 -5.611 16.157 1.00 0.00 N ATOM 0 H LYS A 9 3.288 -6.579 10.180 1.00 0.00 H new ATOM 0 HA LYS A 9 4.521 -7.588 12.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.677 -7.813 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.211 -8.152 13.181 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.207 -5.440 11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.109 -5.971 13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.102 -5.510 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.833 -4.420 13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.940 -6.239 15.437 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.279 -7.262 14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.728 -6.152 17.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.819 -5.621 15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.522 -4.629 16.318 1.00 0.00 H new ATOM 152 N PRO A 10 4.368 -10.196 12.238 1.00 0.00 N ATOM 153 CA PRO A 10 4.272 -11.633 11.997 1.00 0.00 C ATOM 154 C PRO A 10 2.848 -12.001 11.545 1.00 0.00 C ATOM 155 O PRO A 10 1.873 -11.566 12.162 1.00 0.00 O ATOM 156 CB PRO A 10 4.686 -12.281 13.322 1.00 0.00 C ATOM 157 CG PRO A 10 5.628 -11.251 13.940 1.00 0.00 C ATOM 158 CD PRO A 10 4.983 -9.932 13.529 1.00 0.00 C ATOM 0 HA PRO A 10 4.917 -11.985 11.192 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.825 -12.473 13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.184 -13.237 13.163 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.688 -11.354 15.023 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.643 -11.345 13.554 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.241 -9.611 14.261 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.725 -9.136 13.457 1.00 0.00 H new ATOM 166 N GLY A 11 2.721 -12.762 10.455 1.00 0.00 N ATOM 167 CA GLY A 11 1.459 -13.098 9.817 1.00 0.00 C ATOM 168 C GLY A 11 1.108 -12.200 8.624 1.00 0.00 C ATOM 169 O GLY A 11 0.212 -12.573 7.872 1.00 0.00 O ATOM 0 H GLY A 11 3.526 -13.172 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.498 -14.134 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.661 -13.032 10.556 1.00 0.00 H new ATOM 173 N ASP A 12 1.751 -11.041 8.422 1.00 0.00 N ATOM 174 CA ASP A 12 1.357 -10.108 7.352 1.00 0.00 C ATOM 175 C ASP A 12 1.665 -10.672 5.964 1.00 0.00 C ATOM 176 O ASP A 12 2.601 -11.459 5.793 1.00 0.00 O ATOM 177 CB ASP A 12 2.033 -8.733 7.491 1.00 0.00 C ATOM 178 CG ASP A 12 1.304 -7.756 8.427 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.082 -7.921 8.667 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.929 -6.754 8.834 1.00 0.00 O ATOM 0 H ASP A 12 2.543 -10.726 8.982 1.00 0.00 H new ATOM 0 HA ASP A 12 0.280 -9.980 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.049 -8.877 7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.112 -8.279 6.503 1.00 0.00 H new ATOM 185 N LEU A 13 0.897 -10.234 4.957 1.00 0.00 N ATOM 186 CA LEU A 13 1.126 -10.625 3.569 1.00 0.00 C ATOM 187 C LEU A 13 2.271 -9.810 2.988 1.00 0.00 C ATOM 188 O LEU A 13 2.314 -8.587 3.145 1.00 0.00 O ATOM 189 CB LEU A 13 -0.107 -10.386 2.675 1.00 0.00 C ATOM 190 CG LEU A 13 -1.309 -11.327 2.865 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.271 -11.182 1.683 1.00 0.00 C ATOM 192 CD2 LEU A 13 -0.870 -12.783 2.996 1.00 0.00 C ATOM 0 H LEU A 13 0.106 -9.603 5.085 1.00 0.00 H new ATOM 0 HA LEU A 13 1.353 -11.691 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.449 -9.364 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.212 -10.452 1.635 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.812 -11.044 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.121 -11.850 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.624 -10.152 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.754 -11.440 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.747 -13.417 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.337 -13.085 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.212 -12.888 3.859 1.00 0.00 H new ATOM 204 N ILE A 14 3.117 -10.478 2.214 1.00 0.00 N ATOM 205 CA ILE A 14 4.196 -9.891 1.445 1.00 0.00 C ATOM 206 C ILE A 14 3.908 -10.234 -0.013 1.00 0.00 C ATOM 207 O ILE A 14 3.420 -11.324 -0.325 1.00 0.00 O ATOM 208 CB ILE A 14 5.559 -10.480 1.894 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.811 -10.378 3.415 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.739 -9.867 1.109 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.856 -8.952 3.974 1.00 0.00 C ATOM 0 H ILE A 14 3.063 -11.491 2.103 1.00 0.00 H new ATOM 0 HA ILE A 14 4.254 -8.812 1.590 1.00 0.00 H new ATOM 0 HB ILE A 14 5.498 -11.543 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.028 -10.930 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.755 -10.871 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.674 -10.307 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.614 -10.071 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.763 -8.789 1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.038 -8.988 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.658 -8.396 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.904 -8.456 3.783 1.00 0.00 H new ATOM 223 N GLU A 15 4.260 -9.325 -0.910 1.00 0.00 N ATOM 224 CA GLU A 15 4.303 -9.590 -2.329 1.00 0.00 C ATOM 225 C GLU A 15 5.735 -9.327 -2.780 1.00 0.00 C ATOM 226 O GLU A 15 6.444 -8.495 -2.219 1.00 0.00 O ATOM 227 CB GLU A 15 3.252 -8.786 -3.096 1.00 0.00 C ATOM 228 CG GLU A 15 3.528 -7.281 -3.154 1.00 0.00 C ATOM 229 CD GLU A 15 2.585 -6.580 -4.139 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.375 -6.907 -4.177 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.068 -5.716 -4.900 1.00 0.00 O ATOM 0 H GLU A 15 4.526 -8.372 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 15 4.042 -10.626 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.188 -9.171 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.279 -8.947 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.407 -6.848 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.562 -7.110 -3.453 1.00 0.00 H new ATOM 238 N ILE A 16 6.137 -10.056 -3.804 1.00 0.00 N ATOM 239 CA ILE A 16 7.478 -10.211 -4.321 1.00 0.00 C ATOM 240 C ILE A 16 7.335 -9.867 -5.796 1.00 0.00 C ATOM 241 O ILE A 16 6.868 -10.691 -6.582 1.00 0.00 O ATOM 242 CB ILE A 16 7.919 -11.680 -4.108 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.873 -12.178 -2.646 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.287 -11.955 -4.757 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.897 -11.526 -1.721 1.00 0.00 C ATOM 0 H ILE A 16 5.467 -10.605 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 16 8.228 -9.585 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 16 7.160 -12.272 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.875 -11.998 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.030 -13.257 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.567 -12.995 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.226 -11.764 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.038 -11.301 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.792 -11.935 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.902 -11.727 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.729 -10.449 -1.693 1.00 0.00 H new ATOM 257 N PHE A 17 7.642 -8.635 -6.181 1.00 0.00 N ATOM 258 CA PHE A 17 7.641 -8.297 -7.600 1.00 0.00 C ATOM 259 C PHE A 17 8.720 -9.132 -8.302 1.00 0.00 C ATOM 260 O PHE A 17 9.780 -9.392 -7.726 1.00 0.00 O ATOM 261 CB PHE A 17 7.815 -6.787 -7.804 1.00 0.00 C ATOM 262 CG PHE A 17 6.561 -6.124 -8.341 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.310 -6.140 -9.727 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.619 -5.540 -7.467 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.132 -5.568 -10.240 1.00 0.00 C ATOM 266 CE2 PHE A 17 4.443 -4.969 -7.984 1.00 0.00 C ATOM 267 CZ PHE A 17 4.198 -4.981 -9.369 1.00 0.00 C ATOM 0 H PHE A 17 7.889 -7.871 -5.551 1.00 0.00 H new ATOM 0 HA PHE A 17 6.679 -8.543 -8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.088 -6.325 -6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.640 -6.610 -8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.025 -6.593 -10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.801 -5.532 -6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.945 -5.580 -11.304 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.725 -4.519 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.294 -4.540 -9.762 1.00 0.00 H new ATOM 277 N ARG A 18 8.453 -9.570 -9.536 1.00 0.00 N ATOM 278 CA ARG A 18 9.314 -10.473 -10.294 1.00 0.00 C ATOM 279 C ARG A 18 9.495 -9.914 -11.713 1.00 0.00 C ATOM 280 O ARG A 18 8.781 -8.980 -12.084 1.00 0.00 O ATOM 281 CB ARG A 18 8.672 -11.876 -10.274 1.00 0.00 C ATOM 282 CG ARG A 18 8.747 -12.546 -8.889 1.00 0.00 C ATOM 283 CD ARG A 18 9.222 -14.000 -8.998 1.00 0.00 C ATOM 284 NE ARG A 18 9.801 -14.492 -7.738 1.00 0.00 N ATOM 285 CZ ARG A 18 9.564 -15.661 -7.135 1.00 0.00 C ATOM 286 NH1 ARG A 18 8.664 -16.521 -7.606 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.251 -15.954 -6.037 1.00 0.00 N ATOM 0 H ARG A 18 7.612 -9.298 -10.045 1.00 0.00 H new ATOM 0 HA ARG A 18 10.308 -10.555 -9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.628 -11.798 -10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.171 -12.510 -11.007 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.428 -11.986 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.766 -12.516 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.382 -14.634 -9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.964 -14.079 -9.792 1.00 0.00 H new ATOM 0 HE ARG A 18 10.459 -13.869 -7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.134 -16.295 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.504 -17.406 -7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.939 -15.294 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.091 -16.839 -5.556 1.00 0.00 H new ATOM 301 N PRO A 19 10.436 -10.448 -12.516 1.00 0.00 N ATOM 302 CA PRO A 19 10.782 -9.887 -13.823 1.00 0.00 C ATOM 303 C PRO A 19 9.607 -9.648 -14.783 1.00 0.00 C ATOM 304 O PRO A 19 9.651 -8.689 -15.555 1.00 0.00 O ATOM 305 CB PRO A 19 11.814 -10.848 -14.419 1.00 0.00 C ATOM 306 CG PRO A 19 12.523 -11.393 -13.183 1.00 0.00 C ATOM 307 CD PRO A 19 11.392 -11.496 -12.163 1.00 0.00 C ATOM 0 HA PRO A 19 11.168 -8.878 -13.680 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.341 -11.642 -14.997 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.505 -10.335 -15.088 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.984 -12.362 -13.375 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.315 -10.725 -12.843 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.923 -12.480 -12.198 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.767 -11.357 -11.149 1.00 0.00 H new ATOM 315 N PHE A 20 8.563 -10.488 -14.733 1.00 0.00 N ATOM 316 CA PHE A 20 7.435 -10.443 -15.674 1.00 0.00 C ATOM 317 C PHE A 20 6.067 -10.629 -14.991 1.00 0.00 C ATOM 318 O PHE A 20 5.048 -10.696 -15.682 1.00 0.00 O ATOM 319 CB PHE A 20 7.641 -11.513 -16.765 1.00 0.00 C ATOM 320 CG PHE A 20 8.952 -11.420 -17.527 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.164 -10.373 -18.445 1.00 0.00 C ATOM 322 CD2 PHE A 20 9.965 -12.379 -17.320 1.00 0.00 C ATOM 323 CE1 PHE A 20 10.382 -10.279 -19.142 1.00 0.00 C ATOM 324 CE2 PHE A 20 11.183 -12.283 -18.017 1.00 0.00 C ATOM 325 CZ PHE A 20 11.393 -11.232 -18.927 1.00 0.00 C ATOM 0 H PHE A 20 8.477 -11.224 -14.032 1.00 0.00 H new ATOM 0 HA PHE A 20 7.420 -9.447 -16.117 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.578 -12.498 -16.301 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.820 -11.444 -17.478 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.389 -9.640 -18.614 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.805 -13.189 -16.624 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.541 -9.473 -19.844 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.958 -13.017 -17.853 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.329 -11.157 -19.460 1.00 0.00 H new ATOM 335 N TYR A 21 6.020 -10.739 -13.658 1.00 0.00 N ATOM 336 CA TYR A 21 4.808 -10.994 -12.875 1.00 0.00 C ATOM 337 C TYR A 21 5.080 -10.604 -11.415 1.00 0.00 C ATOM 338 O TYR A 21 6.033 -9.870 -11.142 1.00 0.00 O ATOM 339 CB TYR A 21 4.329 -12.457 -13.039 1.00 0.00 C ATOM 340 CG TYR A 21 5.020 -13.540 -12.218 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.419 -13.696 -12.243 1.00 0.00 C ATOM 342 CD2 TYR A 21 4.240 -14.425 -11.446 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.028 -14.735 -11.516 1.00 0.00 C ATOM 344 CE2 TYR A 21 4.844 -15.441 -10.687 1.00 0.00 C ATOM 345 CZ TYR A 21 6.246 -15.601 -10.718 1.00 0.00 C ATOM 346 OH TYR A 21 6.849 -16.573 -9.975 1.00 0.00 O ATOM 0 H TYR A 21 6.853 -10.650 -13.077 1.00 0.00 H new ATOM 0 HA TYR A 21 3.985 -10.382 -13.243 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.266 -12.487 -12.801 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.428 -12.723 -14.091 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.026 -13.016 -12.822 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.165 -14.321 -11.438 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.098 -14.872 -11.568 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.237 -16.098 -10.081 1.00 0.00 H new ATOM 0 HH TYR A 21 6.168 -17.079 -9.484 1.00 0.00 H new ATOM 356 N ARG A 22 4.280 -11.084 -10.459 1.00 0.00 N ATOM 357 CA ARG A 22 4.519 -10.875 -9.037 1.00 0.00 C ATOM 358 C ARG A 22 4.121 -12.148 -8.296 1.00 0.00 C ATOM 359 O ARG A 22 3.191 -12.837 -8.710 1.00 0.00 O ATOM 360 CB ARG A 22 3.765 -9.599 -8.610 1.00 0.00 C ATOM 361 CG ARG A 22 3.614 -9.393 -7.097 1.00 0.00 C ATOM 362 CD ARG A 22 2.315 -10.016 -6.567 1.00 0.00 C ATOM 363 NE ARG A 22 1.358 -8.961 -6.191 1.00 0.00 N ATOM 364 CZ ARG A 22 0.435 -8.366 -6.951 1.00 0.00 C ATOM 365 NH1 ARG A 22 0.129 -8.816 -8.166 1.00 0.00 N ATOM 366 NH2 ARG A 22 -0.163 -7.297 -6.449 1.00 0.00 N ATOM 0 H ARG A 22 3.443 -11.632 -10.657 1.00 0.00 H new ATOM 0 HA ARG A 22 5.567 -10.702 -8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.284 -8.736 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.771 -9.619 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.467 -9.836 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.625 -8.327 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.876 -10.660 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.531 -10.645 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 22 1.407 -8.643 -5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.604 -9.637 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.581 -8.340 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.088 -6.962 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.875 -6.809 -6.992 1.00 0.00 H new ATOM 380 N HIS A 23 4.809 -12.445 -7.203 1.00 0.00 N ATOM 381 CA HIS A 23 4.646 -13.627 -6.375 1.00 0.00 C ATOM 382 C HIS A 23 4.214 -13.181 -4.976 1.00 0.00 C ATOM 383 O HIS A 23 4.284 -11.990 -4.664 1.00 0.00 O ATOM 384 CB HIS A 23 5.988 -14.384 -6.389 1.00 0.00 C ATOM 385 CG HIS A 23 6.048 -15.590 -5.494 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.096 -16.609 -5.457 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.027 -15.851 -4.579 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.538 -17.469 -4.524 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.691 -17.041 -3.984 1.00 0.00 N ATOM 0 H HIS A 23 5.541 -11.828 -6.851 1.00 0.00 H new ATOM 0 HA HIS A 23 3.874 -14.303 -6.744 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.200 -14.698 -7.411 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.780 -13.694 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.893 -15.242 -4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.034 -18.382 -4.245 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.225 -17.518 -3.257 1.00 0.00 H new ATOM 397 N TRP A 24 3.764 -14.104 -4.129 1.00 0.00 N ATOM 398 CA TRP A 24 3.181 -13.790 -2.830 1.00 0.00 C ATOM 399 C TRP A 24 3.738 -14.718 -1.764 1.00 0.00 C ATOM 400 O TRP A 24 4.025 -15.887 -2.031 1.00 0.00 O ATOM 401 CB TRP A 24 1.659 -13.926 -2.883 1.00 0.00 C ATOM 402 CG TRP A 24 0.935 -12.842 -3.606 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.692 -12.771 -4.933 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.312 -11.664 -3.025 1.00 0.00 C ATOM 405 NE1 TRP A 24 -0.045 -11.636 -5.206 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.325 -10.920 -4.059 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.211 -11.170 -1.711 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -1.048 -9.746 -3.796 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.509 -9.995 -1.435 1.00 0.00 C ATOM 410 CH2 TRP A 24 -1.143 -9.288 -2.471 1.00 0.00 C ATOM 0 H TRP A 24 3.795 -15.104 -4.330 1.00 0.00 H new ATOM 0 HA TRP A 24 3.438 -12.761 -2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.414 -14.878 -3.355 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.281 -13.970 -1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.023 -13.491 -5.667 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.346 -11.360 -6.141 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.693 -11.701 -0.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.524 -9.203 -4.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.576 -9.633 -0.420 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.704 -8.392 -2.249 1.00 0.00 H new ATOM 421 N ALA A 25 3.846 -14.190 -0.546 1.00 0.00 N ATOM 422 CA ALA A 25 4.398 -14.864 0.611 1.00 0.00 C ATOM 423 C ALA A 25 3.729 -14.320 1.879 1.00 0.00 C ATOM 424 O ALA A 25 2.982 -13.339 1.824 1.00 0.00 O ATOM 425 CB ALA A 25 5.911 -14.616 0.626 1.00 0.00 C ATOM 0 H ALA A 25 3.536 -13.241 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 25 4.213 -15.937 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.353 -15.114 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.354 -15.013 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.104 -13.545 0.687 1.00 0.00 H new ATOM 431 N ILE A 26 4.009 -14.926 3.030 1.00 0.00 N ATOM 432 CA ILE A 26 3.482 -14.503 4.318 1.00 0.00 C ATOM 433 C ILE A 26 4.638 -14.452 5.314 1.00 0.00 C ATOM 434 O ILE A 26 5.426 -15.394 5.391 1.00 0.00 O ATOM 435 CB ILE A 26 2.326 -15.446 4.705 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.447 -14.792 5.781 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.770 -16.862 5.110 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.129 -15.552 5.915 1.00 0.00 C ATOM 0 H ILE A 26 4.621 -15.740 3.091 1.00 0.00 H new ATOM 0 HA ILE A 26 3.056 -13.500 4.297 1.00 0.00 H new ATOM 0 HB ILE A 26 1.735 -15.595 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.972 -14.787 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.251 -13.752 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.894 -17.458 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.297 -17.330 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.434 -16.802 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.487 -15.080 6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.400 -15.534 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.332 -16.585 6.198 1.00 0.00 H new ATOM 450 N TYR A 27 4.785 -13.328 6.013 1.00 0.00 N ATOM 451 CA TYR A 27 5.876 -13.063 6.939 1.00 0.00 C ATOM 452 C TYR A 27 5.701 -13.927 8.184 1.00 0.00 C ATOM 453 O TYR A 27 4.610 -13.976 8.753 1.00 0.00 O ATOM 454 CB TYR A 27 5.862 -11.566 7.278 1.00 0.00 C ATOM 455 CG TYR A 27 7.070 -11.060 8.043 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.329 -11.002 7.416 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.923 -10.577 9.356 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.430 -10.443 8.090 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.023 -10.038 10.048 1.00 0.00 C ATOM 460 CZ TYR A 27 9.281 -9.952 9.409 1.00 0.00 C ATOM 461 OH TYR A 27 10.350 -9.388 10.036 1.00 0.00 O ATOM 0 H TYR A 27 4.125 -12.554 5.946 1.00 0.00 H new ATOM 0 HA TYR A 27 6.840 -13.313 6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.779 -11.001 6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.967 -11.352 7.863 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.450 -11.388 6.415 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.957 -10.620 9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.391 -10.388 7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.907 -9.691 11.064 1.00 0.00 H new ATOM 0 HH TYR A 27 10.268 -9.519 11.004 1.00 0.00 H new ATOM 471 N VAL A 28 6.770 -14.583 8.626 1.00 0.00 N ATOM 472 CA VAL A 28 6.789 -15.437 9.812 1.00 0.00 C ATOM 473 C VAL A 28 8.113 -15.242 10.568 1.00 0.00 C ATOM 474 O VAL A 28 9.077 -14.681 10.032 1.00 0.00 O ATOM 475 CB VAL A 28 6.537 -16.917 9.436 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.143 -17.153 8.836 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.582 -17.485 8.466 1.00 0.00 C ATOM 0 H VAL A 28 7.674 -14.534 8.156 1.00 0.00 H new ATOM 0 HA VAL A 28 5.977 -15.147 10.478 1.00 0.00 H new ATOM 0 HB VAL A 28 6.615 -17.444 10.387 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.026 -18.209 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.381 -16.860 9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.031 -16.557 7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.345 -18.526 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.573 -16.907 7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.571 -17.427 8.921 1.00 0.00 H new ATOM 487 N GLY A 29 8.169 -15.719 11.817 1.00 0.00 N ATOM 488 CA GLY A 29 9.272 -15.411 12.719 1.00 0.00 C ATOM 489 C GLY A 29 9.383 -13.892 12.818 1.00 0.00 C ATOM 490 O GLY A 29 8.383 -13.218 13.069 1.00 0.00 O ATOM 0 H GLY A 29 7.455 -16.324 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.094 -15.846 13.702 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.202 -15.838 12.345 1.00 0.00 H new ATOM 494 N ASP A 30 10.576 -13.355 12.570 1.00 0.00 N ATOM 495 CA ASP A 30 10.791 -11.920 12.391 1.00 0.00 C ATOM 496 C ASP A 30 11.889 -11.719 11.341 1.00 0.00 C ATOM 497 O ASP A 30 12.927 -11.101 11.591 1.00 0.00 O ATOM 498 CB ASP A 30 11.097 -11.222 13.722 1.00 0.00 C ATOM 499 CG ASP A 30 11.214 -9.697 13.536 1.00 0.00 C ATOM 500 OD1 ASP A 30 10.434 -9.111 12.748 1.00 0.00 O ATOM 501 OD2 ASP A 30 12.059 -9.068 14.214 1.00 0.00 O ATOM 0 H ASP A 30 11.429 -13.909 12.487 1.00 0.00 H new ATOM 0 HA ASP A 30 9.877 -11.450 12.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.309 -11.444 14.442 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.026 -11.613 14.136 1.00 0.00 H new ATOM 506 N GLY A 31 11.694 -12.345 10.176 1.00 0.00 N ATOM 507 CA GLY A 31 12.608 -12.228 9.043 1.00 0.00 C ATOM 508 C GLY A 31 12.399 -13.294 7.971 1.00 0.00 C ATOM 509 O GLY A 31 13.008 -13.204 6.905 1.00 0.00 O ATOM 0 H GLY A 31 10.893 -12.949 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.488 -11.243 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.633 -12.289 9.408 1.00 0.00 H new ATOM 513 N TYR A 32 11.563 -14.303 8.225 1.00 0.00 N ATOM 514 CA TYR A 32 11.322 -15.400 7.300 1.00 0.00 C ATOM 515 C TYR A 32 9.975 -15.198 6.621 1.00 0.00 C ATOM 516 O TYR A 32 9.157 -14.375 7.036 1.00 0.00 O ATOM 517 CB TYR A 32 11.396 -16.739 8.051 1.00 0.00 C ATOM 518 CG TYR A 32 12.811 -17.167 8.390 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.461 -16.647 9.527 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.485 -18.076 7.551 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.782 -17.029 9.821 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.808 -18.459 7.837 1.00 0.00 C ATOM 523 CZ TYR A 32 15.464 -17.934 8.976 1.00 0.00 C ATOM 524 OH TYR A 32 16.747 -18.291 9.267 1.00 0.00 O ATOM 0 H TYR A 32 11.030 -14.377 9.092 1.00 0.00 H new ATOM 0 HA TYR A 32 12.089 -15.418 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.818 -16.662 8.972 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.927 -17.513 7.444 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.944 -15.954 10.174 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.984 -18.481 6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.277 -16.630 10.694 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.322 -19.153 7.188 1.00 0.00 H new ATOM 0 HH TYR A 32 17.073 -18.920 8.590 1.00 0.00 H new ATOM 534 N VAL A 33 9.732 -15.981 5.579 1.00 0.00 N ATOM 535 CA VAL A 33 8.465 -16.029 4.878 1.00 0.00 C ATOM 536 C VAL A 33 8.130 -17.475 4.528 1.00 0.00 C ATOM 537 O VAL A 33 9.026 -18.291 4.312 1.00 0.00 O ATOM 538 CB VAL A 33 8.496 -15.159 3.604 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.435 -13.659 3.904 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.696 -15.446 2.686 1.00 0.00 C ATOM 0 H VAL A 33 10.431 -16.615 5.191 1.00 0.00 H new ATOM 0 HA VAL A 33 7.692 -15.627 5.532 1.00 0.00 H new ATOM 0 HB VAL A 33 7.590 -15.447 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.460 -13.100 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.512 -13.432 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.289 -13.376 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.649 -14.796 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.622 -15.258 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.668 -16.488 2.366 1.00 0.00 H new ATOM 550 N VAL A 34 6.837 -17.771 4.428 1.00 0.00 N ATOM 551 CA VAL A 34 6.294 -19.005 3.880 1.00 0.00 C ATOM 552 C VAL A 34 5.619 -18.618 2.566 1.00 0.00 C ATOM 553 O VAL A 34 5.025 -17.542 2.464 1.00 0.00 O ATOM 554 CB VAL A 34 5.349 -19.642 4.920 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.389 -20.684 4.336 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.198 -20.289 6.018 1.00 0.00 C ATOM 0 H VAL A 34 6.110 -17.128 4.741 1.00 0.00 H new ATOM 0 HA VAL A 34 7.046 -19.765 3.670 1.00 0.00 H new ATOM 0 HB VAL A 34 4.722 -18.842 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.759 -21.084 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.762 -20.216 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.962 -21.494 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.545 -20.744 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.838 -21.055 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.817 -19.529 6.495 1.00 0.00 H new ATOM 566 N HIS A 35 5.738 -19.462 1.541 1.00 0.00 N ATOM 567 CA HIS A 35 5.231 -19.173 0.202 1.00 0.00 C ATOM 568 C HIS A 35 5.145 -20.441 -0.638 1.00 0.00 C ATOM 569 O HIS A 35 5.643 -21.491 -0.231 1.00 0.00 O ATOM 570 CB HIS A 35 6.129 -18.134 -0.499 1.00 0.00 C ATOM 571 CG HIS A 35 7.569 -18.505 -0.792 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.425 -17.719 -1.567 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.276 -19.573 -0.309 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.624 -18.321 -1.513 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.562 -19.440 -0.775 1.00 0.00 N ATOM 0 H HIS A 35 6.193 -20.372 1.618 1.00 0.00 H new ATOM 0 HA HIS A 35 4.226 -18.763 0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.655 -17.870 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.137 -17.234 0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.896 -20.367 0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.517 -17.954 -1.998 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.335 -20.080 -0.592 1.00 0.00 H new ATOM 583 N LEU A 36 4.536 -20.342 -1.821 1.00 0.00 N ATOM 584 CA LEU A 36 4.591 -21.410 -2.810 1.00 0.00 C ATOM 585 C LEU A 36 5.964 -21.364 -3.482 1.00 0.00 C ATOM 586 O LEU A 36 6.539 -20.288 -3.653 1.00 0.00 O ATOM 587 CB LEU A 36 3.488 -21.246 -3.878 1.00 0.00 C ATOM 588 CG LEU A 36 2.100 -21.812 -3.531 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.119 -23.326 -3.292 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.475 -21.129 -2.318 1.00 0.00 C ATOM 0 H LEU A 36 3.997 -19.527 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 36 4.431 -22.367 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.378 -20.183 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.830 -21.723 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 36 1.489 -21.603 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.113 -23.669 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.469 -23.832 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.789 -23.555 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.497 -21.567 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.120 -21.268 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.361 -20.064 -2.519 1.00 0.00 H new ATOM 602 N ALA A 37 6.451 -22.521 -3.920 1.00 0.00 N ATOM 603 CA ALA A 37 7.651 -22.688 -4.723 1.00 0.00 C ATOM 604 C ALA A 37 7.453 -23.899 -5.644 1.00 0.00 C ATOM 605 O ALA A 37 6.618 -24.757 -5.341 1.00 0.00 O ATOM 606 CB ALA A 37 8.826 -22.937 -3.776 1.00 0.00 C ATOM 0 H ALA A 37 5.995 -23.409 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 37 7.848 -21.803 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.740 -23.066 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.939 -22.086 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.638 -23.837 -3.191 1.00 0.00 H new ATOM 612 N PRO A 38 8.202 -24.023 -6.751 1.00 0.00 N ATOM 613 CA PRO A 38 8.210 -25.254 -7.530 1.00 0.00 C ATOM 614 C PRO A 38 8.789 -26.408 -6.684 1.00 0.00 C ATOM 615 O PRO A 38 9.518 -26.160 -5.717 1.00 0.00 O ATOM 616 CB PRO A 38 9.043 -24.937 -8.778 1.00 0.00 C ATOM 617 CG PRO A 38 9.979 -23.821 -8.315 1.00 0.00 C ATOM 618 CD PRO A 38 9.129 -23.049 -7.306 1.00 0.00 C ATOM 0 HA PRO A 38 7.214 -25.586 -7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.599 -25.810 -9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.414 -24.614 -9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.885 -24.219 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.293 -23.188 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.750 -22.609 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.595 -22.230 -7.788 1.00 0.00 H new ATOM 626 N PRO A 39 8.515 -27.677 -7.041 1.00 0.00 N ATOM 627 CA PRO A 39 8.984 -28.847 -6.295 1.00 0.00 C ATOM 628 C PRO A 39 10.507 -29.068 -6.387 1.00 0.00 C ATOM 629 O PRO A 39 11.012 -30.036 -5.814 1.00 0.00 O ATOM 630 CB PRO A 39 8.206 -30.034 -6.878 1.00 0.00 C ATOM 631 CG PRO A 39 7.926 -29.603 -8.312 1.00 0.00 C ATOM 632 CD PRO A 39 7.712 -28.097 -8.182 1.00 0.00 C ATOM 0 HA PRO A 39 8.803 -28.714 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.790 -30.954 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.284 -30.220 -6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.760 -29.837 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.047 -30.102 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.022 -27.579 -9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.659 -27.864 -8.025 1.00 0.00 H new ATOM 846 N LYS A 57 2.876 -27.998 -11.335 1.00 0.00 N ATOM 847 CA LYS A 57 2.492 -28.081 -9.931 1.00 0.00 C ATOM 848 C LYS A 57 3.426 -27.219 -9.084 1.00 0.00 C ATOM 849 O LYS A 57 4.384 -26.641 -9.605 1.00 0.00 O ATOM 850 CB LYS A 57 2.482 -29.553 -9.492 1.00 0.00 C ATOM 851 CG LYS A 57 3.885 -30.131 -9.214 1.00 0.00 C ATOM 852 CD LYS A 57 3.857 -31.628 -8.890 1.00 0.00 C ATOM 853 CE LYS A 57 2.914 -32.003 -7.730 1.00 0.00 C ATOM 854 NZ LYS A 57 3.249 -31.339 -6.445 1.00 0.00 N ATOM 0 HA LYS A 57 1.485 -27.690 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.875 -29.650 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.001 -30.150 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.521 -29.964 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.336 -29.592 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.554 -32.176 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.867 -31.954 -8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.892 -31.743 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.941 -33.083 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.475 -32.060 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.071 -30.716 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.436 -30.775 -6.123 1.00 0.00 H new ATOM 868 N ALA A 58 3.183 -27.183 -7.775 1.00 0.00 N ATOM 869 CA ALA A 58 3.991 -26.451 -6.812 1.00 0.00 C ATOM 870 C ALA A 58 3.883 -27.134 -5.460 1.00 0.00 C ATOM 871 O ALA A 58 3.178 -28.137 -5.312 1.00 0.00 O ATOM 872 CB ALA A 58 3.511 -24.996 -6.753 1.00 0.00 C ATOM 0 H ALA A 58 2.398 -27.676 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 58 5.040 -26.447 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.114 -24.443 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.613 -24.539 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.465 -24.970 -6.447 1.00 0.00 H new ATOM 878 N ILE A 59 4.589 -26.592 -4.478 1.00 0.00 N ATOM 879 CA ILE A 59 4.618 -27.038 -3.098 1.00 0.00 C ATOM 880 C ILE A 59 4.782 -25.788 -2.221 1.00 0.00 C ATOM 881 O ILE A 59 5.129 -24.724 -2.736 1.00 0.00 O ATOM 882 CB ILE A 59 5.750 -28.076 -2.898 1.00 0.00 C ATOM 883 CG1 ILE A 59 7.170 -27.472 -2.944 1.00 0.00 C ATOM 884 CG2 ILE A 59 5.644 -29.255 -3.890 1.00 0.00 C ATOM 885 CD1 ILE A 59 8.208 -28.476 -2.435 1.00 0.00 C ATOM 0 H ILE A 59 5.190 -25.783 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 59 3.696 -27.547 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 59 5.598 -28.452 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.412 -27.179 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.205 -26.568 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.459 -29.956 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.690 -29.764 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.708 -28.878 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.200 -28.027 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.977 -28.748 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.187 -29.369 -3.060 1.00 0.00 H new ATOM 897 N VAL A 60 4.562 -25.883 -0.912 1.00 0.00 N ATOM 898 CA VAL A 60 4.781 -24.764 -0.001 1.00 0.00 C ATOM 899 C VAL A 60 6.194 -24.923 0.570 1.00 0.00 C ATOM 900 O VAL A 60 6.602 -26.032 0.924 1.00 0.00 O ATOM 901 CB VAL A 60 3.700 -24.765 1.098 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.780 -23.506 1.976 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.266 -24.850 0.541 1.00 0.00 C ATOM 0 H VAL A 60 4.229 -26.732 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 60 4.703 -23.803 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 60 3.907 -25.659 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.002 -23.544 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.757 -23.459 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.638 -22.621 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.554 -24.846 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.076 -23.994 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.152 -25.770 -0.032 1.00 0.00 H new ATOM 913 N LYS A 61 6.930 -23.822 0.710 1.00 0.00 N ATOM 914 CA LYS A 61 8.271 -23.763 1.293 1.00 0.00 C ATOM 915 C LYS A 61 8.343 -22.602 2.281 1.00 0.00 C ATOM 916 O LYS A 61 7.428 -21.780 2.359 1.00 0.00 O ATOM 917 CB LYS A 61 9.334 -23.594 0.187 1.00 0.00 C ATOM 918 CG LYS A 61 9.628 -24.901 -0.560 1.00 0.00 C ATOM 919 CD LYS A 61 10.847 -24.723 -1.480 1.00 0.00 C ATOM 920 CE LYS A 61 11.043 -25.929 -2.411 1.00 0.00 C ATOM 921 NZ LYS A 61 12.230 -25.767 -3.288 1.00 0.00 N ATOM 0 H LYS A 61 6.595 -22.907 0.408 1.00 0.00 H new ATOM 0 HA LYS A 61 8.474 -24.696 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.994 -22.842 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.256 -23.219 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.816 -25.702 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.759 -25.196 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.722 -23.820 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.742 -24.583 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.154 -26.834 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.153 -26.061 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.326 -26.602 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.113 -24.918 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.083 -25.667 -2.702 1.00 0.00 H new ATOM 935 N LYS A 62 9.459 -22.524 3.005 1.00 0.00 N ATOM 936 CA LYS A 62 9.806 -21.425 3.900 1.00 0.00 C ATOM 937 C LYS A 62 11.229 -20.993 3.562 1.00 0.00 C ATOM 938 O LYS A 62 12.065 -21.846 3.261 1.00 0.00 O ATOM 939 CB LYS A 62 9.682 -21.913 5.352 1.00 0.00 C ATOM 940 CG LYS A 62 9.985 -20.849 6.419 1.00 0.00 C ATOM 941 CD LYS A 62 9.719 -21.434 7.812 1.00 0.00 C ATOM 942 CE LYS A 62 10.023 -20.412 8.914 1.00 0.00 C ATOM 943 NZ LYS A 62 9.672 -20.942 10.253 1.00 0.00 N ATOM 0 H LYS A 62 10.172 -23.253 2.982 1.00 0.00 H new ATOM 0 HA LYS A 62 9.139 -20.571 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.670 -22.287 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.359 -22.755 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.023 -20.525 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.363 -19.969 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.678 -21.750 7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.333 -22.323 7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.081 -20.152 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.465 -19.495 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.921 -20.241 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.651 -21.135 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.198 -21.822 10.427 1.00 0.00 H new ATOM 957 N GLU A 63 11.508 -19.694 3.605 1.00 0.00 N ATOM 958 CA GLU A 63 12.796 -19.106 3.254 1.00 0.00 C ATOM 959 C GLU A 63 12.976 -17.826 4.067 1.00 0.00 C ATOM 960 O GLU A 63 12.000 -17.255 4.556 1.00 0.00 O ATOM 961 CB GLU A 63 12.839 -18.747 1.753 1.00 0.00 C ATOM 962 CG GLU A 63 12.899 -19.937 0.780 1.00 0.00 C ATOM 963 CD GLU A 63 14.135 -20.851 0.941 1.00 0.00 C ATOM 964 OE1 GLU A 63 15.116 -20.493 1.633 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.145 -21.946 0.332 1.00 0.00 O ATOM 0 H GLU A 63 10.821 -18.998 3.895 1.00 0.00 H new ATOM 0 HA GLU A 63 13.588 -19.823 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.957 -18.153 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.708 -18.113 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.000 -20.540 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.880 -19.554 -0.240 1.00 0.00 H new ATOM 972 N LEU A 64 14.215 -17.359 4.222 1.00 0.00 N ATOM 973 CA LEU A 64 14.481 -16.029 4.761 1.00 0.00 C ATOM 974 C LEU A 64 13.983 -15.017 3.725 1.00 0.00 C ATOM 975 O LEU A 64 14.232 -15.212 2.535 1.00 0.00 O ATOM 976 CB LEU A 64 15.993 -15.876 5.006 1.00 0.00 C ATOM 977 CG LEU A 64 16.374 -14.586 5.755 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.011 -14.665 7.243 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.882 -14.342 5.629 1.00 0.00 C ATOM 0 H LEU A 64 15.053 -17.887 3.980 1.00 0.00 H new ATOM 0 HA LEU A 64 13.972 -15.867 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.348 -16.734 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.511 -15.895 4.047 1.00 0.00 H new ATOM 0 HG LEU A 64 15.813 -13.767 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.296 -13.736 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.937 -14.817 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.542 -15.498 7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.148 -13.428 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.424 -15.184 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.147 -14.240 4.577 1.00 0.00 H new ATOM 991 N LEU A 65 13.314 -13.933 4.139 1.00 0.00 N ATOM 992 CA LEU A 65 12.693 -12.983 3.209 1.00 0.00 C ATOM 993 C LEU A 65 13.693 -12.467 2.180 1.00 0.00 C ATOM 994 O LEU A 65 13.361 -12.376 1.000 1.00 0.00 O ATOM 995 CB LEU A 65 12.025 -11.829 3.982 1.00 0.00 C ATOM 996 CG LEU A 65 11.316 -10.812 3.052 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.075 -10.225 3.741 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.217 -9.623 2.683 1.00 0.00 C ATOM 0 H LEU A 65 13.189 -13.691 5.122 1.00 0.00 H new ATOM 0 HA LEU A 65 11.917 -13.512 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.299 -12.240 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.779 -11.309 4.573 1.00 0.00 H new ATOM 0 HG LEU A 65 11.053 -11.368 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.590 -9.513 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.379 -11.028 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.374 -9.717 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.671 -8.942 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.514 -9.097 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.105 -9.986 2.166 1.00 0.00 H new ATOM 1010 N TYR A 66 14.919 -12.161 2.604 1.00 0.00 N ATOM 1011 CA TYR A 66 15.931 -11.580 1.730 1.00 0.00 C ATOM 1012 C TYR A 66 16.355 -12.532 0.600 1.00 0.00 C ATOM 1013 O TYR A 66 16.814 -12.063 -0.441 1.00 0.00 O ATOM 1014 CB TYR A 66 17.128 -11.115 2.571 1.00 0.00 C ATOM 1015 CG TYR A 66 16.739 -10.107 3.642 1.00 0.00 C ATOM 1016 CD1 TYR A 66 16.304 -8.820 3.269 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.760 -10.469 5.004 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.886 -7.901 4.247 1.00 0.00 C ATOM 1019 CE2 TYR A 66 16.345 -9.554 5.988 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.903 -8.264 5.613 1.00 0.00 C ATOM 1021 OH TYR A 66 15.495 -7.364 6.552 1.00 0.00 O ATOM 0 H TYR A 66 15.236 -12.310 3.562 1.00 0.00 H new ATOM 0 HA TYR A 66 15.494 -10.715 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.592 -11.980 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.877 -10.671 1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 66 16.292 -8.538 2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.096 -11.454 5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.552 -6.917 3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.364 -9.836 7.030 1.00 0.00 H new ATOM 0 HH TYR A 66 15.565 -7.766 7.443 1.00 0.00 H new ATOM 1031 N ASP A 67 16.169 -13.848 0.760 1.00 0.00 N ATOM 1032 CA ASP A 67 16.425 -14.820 -0.306 1.00 0.00 C ATOM 1033 C ASP A 67 15.352 -14.750 -1.397 1.00 0.00 C ATOM 1034 O ASP A 67 15.621 -15.079 -2.550 1.00 0.00 O ATOM 1035 CB ASP A 67 16.476 -16.241 0.267 1.00 0.00 C ATOM 1036 CG ASP A 67 16.858 -17.264 -0.816 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.050 -17.318 -1.194 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.986 -18.052 -1.248 1.00 0.00 O ATOM 0 H ASP A 67 15.838 -14.266 1.629 1.00 0.00 H new ATOM 0 HA ASP A 67 17.388 -14.571 -0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.200 -16.282 1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.505 -16.500 0.690 1.00 0.00 H new ATOM 1043 N VAL A 68 14.145 -14.295 -1.051 1.00 0.00 N ATOM 1044 CA VAL A 68 12.997 -14.203 -1.951 1.00 0.00 C ATOM 1045 C VAL A 68 12.932 -12.800 -2.575 1.00 0.00 C ATOM 1046 O VAL A 68 12.607 -12.649 -3.757 1.00 0.00 O ATOM 1047 CB VAL A 68 11.709 -14.553 -1.163 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.546 -14.808 -2.129 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.876 -15.817 -0.299 1.00 0.00 C ATOM 0 H VAL A 68 13.935 -13.971 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 68 13.097 -14.915 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 68 11.506 -13.700 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.648 -15.053 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.366 -13.914 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.796 -15.639 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.946 -16.020 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.120 -16.665 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.680 -15.662 0.421 1.00 0.00 H new ATOM 1059 N ALA A 69 13.287 -11.772 -1.799 1.00 0.00 N ATOM 1060 CA ALA A 69 13.269 -10.367 -2.192 1.00 0.00 C ATOM 1061 C ALA A 69 14.147 -10.068 -3.412 1.00 0.00 C ATOM 1062 O ALA A 69 13.885 -9.100 -4.129 1.00 0.00 O ATOM 1063 CB ALA A 69 13.755 -9.535 -1.004 1.00 0.00 C ATOM 0 H ALA A 69 13.608 -11.906 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 69 12.247 -10.114 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.751 -8.479 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.093 -9.695 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.768 -9.837 -0.738 1.00 0.00 H new ATOM 1069 N GLY A 70 15.176 -10.885 -3.652 1.00 0.00 N ATOM 1070 CA GLY A 70 16.103 -10.731 -4.763 1.00 0.00 C ATOM 1071 C GLY A 70 15.446 -10.881 -6.142 1.00 0.00 C ATOM 1072 O GLY A 70 16.088 -10.549 -7.142 1.00 0.00 O ATOM 0 H GLY A 70 15.388 -11.689 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.572 -9.749 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.897 -11.471 -4.667 1.00 0.00 H new ATOM 1076 N SER A 71 14.188 -11.336 -6.209 1.00 0.00 N ATOM 1077 CA SER A 71 13.450 -11.514 -7.455 1.00 0.00 C ATOM 1078 C SER A 71 13.450 -10.236 -8.305 1.00 0.00 C ATOM 1079 O SER A 71 13.760 -10.285 -9.496 1.00 0.00 O ATOM 1080 CB SER A 71 12.017 -11.955 -7.151 1.00 0.00 C ATOM 1081 OG SER A 71 11.944 -13.129 -6.350 1.00 0.00 O ATOM 0 H SER A 71 13.650 -11.594 -5.382 1.00 0.00 H new ATOM 0 HA SER A 71 13.951 -12.289 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.496 -11.144 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.492 -12.132 -8.090 1.00 0.00 H new ATOM 0 HG SER A 71 12.034 -12.886 -5.405 1.00 0.00 H new ATOM 1087 N ASP A 72 13.140 -9.095 -7.682 1.00 0.00 N ATOM 1088 CA ASP A 72 13.285 -7.751 -8.235 1.00 0.00 C ATOM 1089 C ASP A 72 13.150 -6.729 -7.114 1.00 0.00 C ATOM 1090 O ASP A 72 14.044 -5.911 -6.907 1.00 0.00 O ATOM 1091 CB ASP A 72 12.215 -7.473 -9.299 1.00 0.00 C ATOM 1092 CG ASP A 72 12.213 -6.003 -9.737 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.300 -5.445 -10.006 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.117 -5.406 -9.816 1.00 0.00 O ATOM 0 H ASP A 72 12.764 -9.086 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 72 14.267 -7.676 -8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.391 -8.110 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.234 -7.736 -8.904 1.00 0.00 H new ATOM 1099 N LYS A 73 12.044 -6.811 -6.374 1.00 0.00 N ATOM 1100 CA LYS A 73 11.712 -5.988 -5.213 1.00 0.00 C ATOM 1101 C LYS A 73 10.527 -6.645 -4.499 1.00 0.00 C ATOM 1102 O LYS A 73 10.018 -7.663 -4.968 1.00 0.00 O ATOM 1103 CB LYS A 73 11.427 -4.532 -5.647 1.00 0.00 C ATOM 1104 CG LYS A 73 10.200 -4.372 -6.556 1.00 0.00 C ATOM 1105 CD LYS A 73 10.054 -2.934 -7.075 1.00 0.00 C ATOM 1106 CE LYS A 73 8.962 -2.847 -8.154 1.00 0.00 C ATOM 1107 NZ LYS A 73 9.454 -3.236 -9.500 1.00 0.00 N ATOM 0 H LYS A 73 11.315 -7.493 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 73 12.548 -5.930 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.286 -3.921 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.302 -4.142 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.283 -5.056 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.302 -4.652 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.807 -2.268 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.004 -2.593 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.129 -3.493 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.576 -1.828 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.647 -3.340 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.095 -2.501 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.965 -4.140 -9.435 1.00 0.00 H new ATOM 1121 N TYR A 74 10.057 -6.084 -3.388 1.00 0.00 N ATOM 1122 CA TYR A 74 8.943 -6.631 -2.618 1.00 0.00 C ATOM 1123 C TYR A 74 8.260 -5.504 -1.848 1.00 0.00 C ATOM 1124 O TYR A 74 8.832 -4.418 -1.720 1.00 0.00 O ATOM 1125 CB TYR A 74 9.467 -7.708 -1.653 1.00 0.00 C ATOM 1126 CG TYR A 74 10.346 -7.170 -0.532 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.701 -6.874 -0.773 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.796 -6.916 0.741 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.508 -6.337 0.246 1.00 0.00 C ATOM 1130 CE2 TYR A 74 10.590 -6.359 1.760 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.952 -6.064 1.517 1.00 0.00 C ATOM 1132 OH TYR A 74 12.713 -5.510 2.504 1.00 0.00 O ATOM 0 H TYR A 74 10.443 -5.227 -2.992 1.00 0.00 H new ATOM 0 HA TYR A 74 8.216 -7.089 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.617 -8.230 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.034 -8.444 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.124 -7.061 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.760 -7.150 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.552 -6.133 0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.159 -6.156 2.729 1.00 0.00 H new ATOM 0 HH TYR A 74 12.168 -5.391 3.310 1.00 0.00 H new ATOM 1142 N GLN A 75 7.058 -5.756 -1.322 1.00 0.00 N ATOM 1143 CA GLN A 75 6.369 -4.860 -0.398 1.00 0.00 C ATOM 1144 C GLN A 75 5.372 -5.643 0.460 1.00 0.00 C ATOM 1145 O GLN A 75 4.950 -6.737 0.082 1.00 0.00 O ATOM 1146 CB GLN A 75 5.716 -3.683 -1.158 1.00 0.00 C ATOM 1147 CG GLN A 75 4.724 -4.068 -2.270 1.00 0.00 C ATOM 1148 CD GLN A 75 4.380 -2.891 -3.192 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.473 -1.721 -2.824 1.00 0.00 O ATOM 1150 NE2 GLN A 75 3.992 -3.165 -4.426 1.00 0.00 N ATOM 0 H GLN A 75 6.530 -6.603 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 75 7.097 -4.420 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.196 -3.054 -0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.507 -3.076 -1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.147 -4.878 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.808 -4.449 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.914 -4.135 -4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.770 -2.407 -5.071 1.00 0.00 H new ATOM 1159 N VAL A 76 4.989 -5.096 1.615 1.00 0.00 N ATOM 1160 CA VAL A 76 3.881 -5.616 2.413 1.00 0.00 C ATOM 1161 C VAL A 76 2.609 -5.227 1.650 1.00 0.00 C ATOM 1162 O VAL A 76 2.508 -4.097 1.160 1.00 0.00 O ATOM 1163 CB VAL A 76 3.903 -5.024 3.843 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.928 -5.767 4.771 1.00 0.00 C ATOM 1165 CG2 VAL A 76 5.304 -5.079 4.481 1.00 0.00 C ATOM 0 H VAL A 76 5.441 -4.278 2.023 1.00 0.00 H new ATOM 0 HA VAL A 76 3.943 -6.696 2.544 1.00 0.00 H new ATOM 0 HB VAL A 76 3.601 -3.982 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.967 -5.327 5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.915 -5.683 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.209 -6.819 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.265 -4.652 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.636 -6.115 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.004 -4.509 3.871 1.00 0.00 H new ATOM 1175 N ASN A 77 1.643 -6.139 1.531 1.00 0.00 N ATOM 1176 CA ASN A 77 0.388 -5.875 0.825 1.00 0.00 C ATOM 1177 C ASN A 77 -0.750 -6.691 1.434 1.00 0.00 C ATOM 1178 O ASN A 77 -1.260 -7.629 0.822 1.00 0.00 O ATOM 1179 CB ASN A 77 0.525 -6.108 -0.693 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.719 -5.639 -1.455 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.634 -5.026 -0.907 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.769 -5.874 -2.754 1.00 0.00 N ATOM 0 H ASN A 77 1.708 -7.080 1.920 1.00 0.00 H new ATOM 0 HA ASN A 77 0.143 -4.820 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.401 -5.576 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.690 -7.168 -0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.565 -5.547 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.011 -6.382 -3.210 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.120 -6.375 2.679 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.295 -6.972 3.310 1.00 0.00 C ATOM 1191 C ASN A 78 -3.532 -6.641 2.476 1.00 0.00 C ATOM 1192 O ASN A 78 -3.895 -5.471 2.338 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.480 -6.459 4.745 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.511 -7.085 5.735 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.168 -8.262 5.646 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.065 -6.325 6.712 1.00 0.00 N ATOM 0 H ASN A 78 -0.621 -5.708 3.268 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.153 -8.052 3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.352 -5.377 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.501 -6.663 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.426 -6.711 7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.358 -5.350 6.774 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.214 -7.671 1.962 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.445 -7.512 1.179 1.00 0.00 C ATOM 1205 C LYS A 79 -6.623 -6.996 2.017 1.00 0.00 C ATOM 1206 O LYS A 79 -7.642 -6.608 1.445 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.818 -8.856 0.521 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.887 -9.303 -0.621 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.843 -8.366 -1.842 1.00 0.00 C ATOM 1210 CE LYS A 79 -6.213 -8.020 -2.449 1.00 0.00 C ATOM 1211 NZ LYS A 79 -6.953 -9.211 -2.937 1.00 0.00 N ATOM 0 H LYS A 79 -3.926 -8.643 2.078 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.246 -6.760 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.824 -9.630 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.834 -8.784 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.877 -9.404 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.199 -10.293 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.347 -7.440 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.228 -8.829 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.816 -7.507 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.072 -7.324 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.691 -8.911 -3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.294 -9.857 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.394 -9.700 -2.132 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.503 -6.976 3.349 1.00 0.00 N ATOM 1226 CA HIS A 80 -7.604 -6.733 4.275 1.00 0.00 C ATOM 1227 C HIS A 80 -7.259 -5.658 5.281 1.00 0.00 C ATOM 1228 O HIS A 80 -7.807 -5.655 6.378 1.00 0.00 O ATOM 1229 CB HIS A 80 -7.967 -8.024 5.010 1.00 0.00 C ATOM 1230 CG HIS A 80 -8.300 -9.154 4.070 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.484 -9.285 3.335 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -7.422 -10.124 3.686 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.290 -10.351 2.537 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -8.062 -10.864 2.724 1.00 0.00 N ATOM 0 H HIS A 80 -5.612 -7.133 3.821 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.457 -6.390 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.134 -8.321 5.648 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.819 -7.838 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.422 -10.279 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.020 -10.740 1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.671 -11.668 2.233 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.405 -4.699 4.943 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.107 -3.570 5.832 1.00 0.00 C ATOM 1244 C ASP A 81 -7.271 -2.563 5.925 1.00 0.00 C ATOM 1245 O ASP A 81 -7.101 -1.395 6.272 1.00 0.00 O ATOM 1246 CB ASP A 81 -4.823 -2.902 5.341 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.262 -1.864 6.328 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.089 -2.189 7.525 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -3.917 -0.739 5.899 1.00 0.00 O ATOM 0 H ASP A 81 -5.902 -4.676 4.056 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.969 -3.945 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.068 -3.668 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.017 -2.416 4.385 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.475 -3.034 5.604 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.758 -2.350 5.764 1.00 0.00 C ATOM 1256 C ASP A 82 -10.791 -3.252 6.469 1.00 0.00 C ATOM 1257 O ASP A 82 -11.885 -2.798 6.803 1.00 0.00 O ATOM 1258 CB ASP A 82 -10.247 -1.918 4.374 1.00 0.00 C ATOM 1259 CG ASP A 82 -11.600 -1.191 4.405 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -11.681 -0.067 4.950 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -12.572 -1.722 3.818 1.00 0.00 O ATOM 0 H ASP A 82 -8.588 -3.963 5.199 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.631 -1.473 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.501 -1.264 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.330 -2.798 3.736 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.453 -4.527 6.726 1.00 0.00 N ATOM 1267 CA LYS A 83 -11.383 -5.569 7.186 1.00 0.00 C ATOM 1268 C LYS A 83 -10.814 -6.362 8.370 1.00 0.00 C ATOM 1269 O LYS A 83 -11.586 -6.763 9.241 1.00 0.00 O ATOM 1270 CB LYS A 83 -11.711 -6.549 6.044 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.091 -5.958 4.682 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.433 -5.214 4.752 1.00 0.00 C ATOM 1273 CE LYS A 83 -14.042 -5.020 3.362 1.00 0.00 C ATOM 1274 NZ LYS A 83 -13.278 -4.068 2.517 1.00 0.00 N ATOM 0 H LYS A 83 -9.498 -4.869 6.616 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.290 -5.059 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.846 -7.196 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.532 -7.185 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.310 -5.274 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.153 -6.755 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.127 -5.773 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.287 -4.243 5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.093 -5.984 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.066 -4.661 3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.785 -3.914 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.178 -3.162 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.335 -4.460 2.318 1.00 0.00 H new ATOM 1288 N TYR A 84 -9.484 -6.512 8.420 1.00 0.00 N ATOM 1289 CA TYR A 84 -8.672 -7.016 9.522 1.00 0.00 C ATOM 1290 C TYR A 84 -8.830 -8.483 9.911 1.00 0.00 C ATOM 1291 O TYR A 84 -9.886 -9.097 9.781 1.00 0.00 O ATOM 1292 CB TYR A 84 -8.827 -6.103 10.740 1.00 0.00 C ATOM 1293 CG TYR A 84 -8.720 -4.643 10.357 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -7.559 -4.199 9.700 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -9.828 -3.787 10.498 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -7.493 -2.888 9.205 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -9.775 -2.481 9.987 1.00 0.00 C ATOM 1298 CZ TYR A 84 -8.604 -2.020 9.343 1.00 0.00 C ATOM 1299 OH TYR A 84 -8.574 -0.757 8.837 1.00 0.00 O ATOM 0 H TYR A 84 -8.904 -6.261 7.619 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.656 -6.990 9.128 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.792 -6.286 11.213 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.060 -6.344 11.476 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.719 -4.866 9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.719 -4.135 10.999 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.594 -2.540 8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.629 -1.828 10.086 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.115 -0.762 7.971 1.00 0.00 H new ATOM 1309 N SER A 85 -7.716 -9.003 10.425 1.00 0.00 N ATOM 1310 CA SER A 85 -7.459 -10.370 10.853 1.00 0.00 C ATOM 1311 C SER A 85 -8.646 -11.029 11.597 1.00 0.00 C ATOM 1312 O SER A 85 -8.913 -10.664 12.745 1.00 0.00 O ATOM 1313 CB SER A 85 -6.198 -10.340 11.733 1.00 0.00 C ATOM 1314 OG SER A 85 -5.231 -9.418 11.234 1.00 0.00 O ATOM 0 H SER A 85 -6.893 -8.417 10.564 1.00 0.00 H new ATOM 0 HA SER A 85 -7.315 -10.991 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.471 -10.066 12.752 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.761 -11.338 11.778 1.00 0.00 H new ATOM 0 HG SER A 85 -4.346 -9.649 11.587 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.345 -12.015 10.997 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.325 -12.849 11.693 1.00 0.00 C ATOM 1322 C PRO A 86 -9.649 -13.901 12.583 1.00 0.00 C ATOM 1323 O PRO A 86 -10.288 -14.490 13.457 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.147 -13.515 10.590 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.173 -13.615 9.421 1.00 0.00 C ATOM 1326 CD PRO A 86 -9.290 -12.381 9.592 1.00 0.00 C ATOM 0 HA PRO A 86 -10.945 -12.252 12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.506 -14.497 10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.024 -12.922 10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.590 -14.535 9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.693 -13.608 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.265 -12.594 9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.644 -11.563 8.965 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.356 -14.128 12.355 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.502 -15.065 13.063 1.00 0.00 C ATOM 1336 C LEU A 87 -6.427 -14.235 13.766 1.00 0.00 C ATOM 1337 O LEU A 87 -5.914 -13.301 13.145 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.843 -16.007 12.038 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.816 -16.892 11.238 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.020 -17.753 10.250 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.652 -17.808 12.140 1.00 0.00 C ATOM 0 H LEU A 87 -7.851 -13.628 11.624 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.064 -15.662 13.781 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.264 -15.406 11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.138 -16.652 12.563 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.503 -16.229 10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.705 -18.382 9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.468 -17.107 9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.320 -18.383 10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.321 -18.411 11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.990 -18.463 12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.239 -17.202 12.830 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.056 -14.535 15.023 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.933 -13.869 15.664 1.00 0.00 C ATOM 1355 C PRO A 88 -3.635 -14.264 14.954 1.00 0.00 C ATOM 1356 O PRO A 88 -3.557 -15.332 14.336 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.972 -14.318 17.127 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.629 -15.695 17.056 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.610 -15.565 15.889 1.00 0.00 C ATOM 0 HA PRO A 88 -4.987 -12.782 15.609 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.972 -14.371 17.558 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.549 -13.629 17.744 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.895 -16.481 16.877 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.142 -15.943 17.985 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.713 -16.511 15.357 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.603 -15.288 16.241 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.599 -13.430 15.080 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.322 -13.628 14.399 1.00 0.00 C ATOM 1369 C CYS A 89 -0.758 -15.025 14.658 1.00 0.00 C ATOM 1370 O CYS A 89 -0.277 -15.671 13.729 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.322 -12.544 14.828 1.00 0.00 C ATOM 1372 SG CYS A 89 -1.022 -10.889 14.545 1.00 0.00 S ATOM 0 H CYS A 89 -2.626 -12.593 15.662 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.493 -13.543 13.326 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.074 -12.666 15.882 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.606 -12.654 14.267 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.164 -9.986 14.916 1.00 0.00 H new ATOM 1378 N SER A 90 -0.883 -15.526 15.890 1.00 0.00 N ATOM 1379 CA SER A 90 -0.445 -16.862 16.261 1.00 0.00 C ATOM 1380 C SER A 90 -1.056 -17.924 15.345 1.00 0.00 C ATOM 1381 O SER A 90 -0.333 -18.749 14.797 1.00 0.00 O ATOM 1382 CB SER A 90 -0.789 -17.115 17.735 1.00 0.00 C ATOM 1383 OG SER A 90 -0.446 -15.987 18.532 1.00 0.00 O ATOM 0 H SER A 90 -1.297 -15.004 16.662 1.00 0.00 H new ATOM 0 HA SER A 90 0.636 -16.932 16.136 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.854 -17.326 17.834 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.255 -17.995 18.092 1.00 0.00 H new ATOM 0 HG SER A 90 -0.674 -16.166 19.468 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.370 -17.882 15.112 1.00 0.00 N ATOM 1390 CA LYS A 91 -3.067 -18.852 14.271 1.00 0.00 C ATOM 1391 C LYS A 91 -2.676 -18.703 12.801 1.00 0.00 C ATOM 1392 O LYS A 91 -2.548 -19.717 12.119 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.590 -18.743 14.442 1.00 0.00 C ATOM 1394 CG LYS A 91 -5.106 -19.203 15.817 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.998 -20.721 16.035 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.641 -21.100 17.378 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.592 -22.561 17.637 1.00 0.00 N ATOM 0 H LYS A 91 -2.983 -17.168 15.506 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.759 -19.845 14.599 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.889 -17.707 14.283 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.075 -19.337 13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.543 -18.691 16.598 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.148 -18.901 15.925 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.494 -21.251 15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.952 -21.026 16.023 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.130 -20.574 18.184 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.679 -20.767 17.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.038 -22.766 18.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.102 -23.064 16.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.601 -22.877 17.655 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.440 -17.483 12.310 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.957 -17.272 10.941 1.00 0.00 C ATOM 1413 C ILE A 92 -0.627 -18.022 10.769 1.00 0.00 C ATOM 1414 O ILE A 92 -0.447 -18.785 9.817 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.817 -15.756 10.644 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.180 -15.035 10.766 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.190 -15.531 9.257 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.080 -13.509 10.664 1.00 0.00 C ATOM 0 H ILE A 92 -2.576 -16.623 12.842 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.674 -17.667 10.221 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.150 -15.324 11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.846 -15.400 9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.636 -15.298 11.721 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.100 -14.461 9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.201 -15.989 9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.823 -15.983 8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.074 -13.072 10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.441 -13.132 11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.654 -13.236 9.699 1.00 0.00 H new ATOM 1430 N ILE A 93 0.297 -17.830 11.711 1.00 0.00 N ATOM 1431 CA ILE A 93 1.630 -18.417 11.664 1.00 0.00 C ATOM 1432 C ILE A 93 1.519 -19.929 11.865 1.00 0.00 C ATOM 1433 O ILE A 93 2.198 -20.685 11.182 1.00 0.00 O ATOM 1434 CB ILE A 93 2.516 -17.731 12.725 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.623 -16.216 12.441 1.00 0.00 C ATOM 1436 CG2 ILE A 93 3.925 -18.335 12.756 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.094 -15.413 13.655 1.00 0.00 C ATOM 0 H ILE A 93 0.135 -17.254 12.537 1.00 0.00 H new ATOM 0 HA ILE A 93 2.101 -18.256 10.694 1.00 0.00 H new ATOM 0 HB ILE A 93 2.044 -17.893 13.694 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.315 -16.055 11.615 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.651 -15.842 12.120 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.522 -17.828 13.514 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.861 -19.397 12.995 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.396 -18.210 11.781 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.149 -14.356 13.393 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.389 -15.547 14.476 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.080 -15.763 13.962 1.00 0.00 H new ATOM 1449 N GLN A 94 0.628 -20.387 12.745 1.00 0.00 N ATOM 1450 CA GLN A 94 0.354 -21.807 12.946 1.00 0.00 C ATOM 1451 C GLN A 94 -0.044 -22.456 11.623 1.00 0.00 C ATOM 1452 O GLN A 94 0.478 -23.519 11.297 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.760 -22.019 13.982 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.300 -21.953 15.445 1.00 0.00 C ATOM 1455 CD GLN A 94 0.652 -23.094 15.818 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.772 -22.868 16.267 1.00 0.00 O ATOM 1457 NE2 GLN A 94 0.244 -24.340 15.630 1.00 0.00 N ATOM 0 H GLN A 94 0.072 -19.776 13.343 1.00 0.00 H new ATOM 0 HA GLN A 94 1.264 -22.274 13.322 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.532 -21.266 13.824 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.222 -22.990 13.805 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.196 -20.999 15.623 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.172 -21.985 16.098 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.688 -24.521 15.257 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.862 -25.119 15.859 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.924 -21.820 10.839 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.262 -22.346 9.517 1.00 0.00 C ATOM 1468 C ARG A 95 -0.008 -22.412 8.649 1.00 0.00 C ATOM 1469 O ARG A 95 0.272 -23.465 8.085 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.377 -21.549 8.839 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.740 -21.790 9.506 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.847 -21.454 8.508 1.00 0.00 C ATOM 1473 NE ARG A 95 -6.184 -21.777 9.035 1.00 0.00 N ATOM 1474 CZ ARG A 95 -7.329 -21.719 8.339 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -7.348 -21.235 7.100 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -8.461 -22.143 8.891 1.00 0.00 N ATOM 0 H ARG A 95 -1.405 -20.957 11.093 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.652 -23.356 9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.138 -20.486 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.434 -21.827 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.824 -22.828 9.827 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.837 -21.172 10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.802 -20.393 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.680 -22.005 7.582 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.244 -22.069 10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.485 -20.903 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.225 -21.196 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.458 -22.512 9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.333 -22.100 8.364 1.00 0.00 H new ATOM 1490 N ALA A 96 0.782 -21.338 8.581 1.00 0.00 N ATOM 1491 CA ALA A 96 2.016 -21.321 7.800 1.00 0.00 C ATOM 1492 C ALA A 96 2.940 -22.490 8.168 1.00 0.00 C ATOM 1493 O ALA A 96 3.498 -23.150 7.291 1.00 0.00 O ATOM 1494 CB ALA A 96 2.718 -19.968 7.984 1.00 0.00 C ATOM 0 H ALA A 96 0.584 -20.461 9.064 1.00 0.00 H new ATOM 0 HA ALA A 96 1.764 -21.448 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.639 -19.954 7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.061 -19.168 7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.953 -19.820 9.038 1.00 0.00 H new ATOM 1500 N GLU A 97 3.061 -22.778 9.460 1.00 0.00 N ATOM 1501 CA GLU A 97 3.959 -23.787 10.006 1.00 0.00 C ATOM 1502 C GLU A 97 3.405 -25.209 9.844 1.00 0.00 C ATOM 1503 O GLU A 97 4.177 -26.167 9.897 1.00 0.00 O ATOM 1504 CB GLU A 97 4.214 -23.477 11.492 1.00 0.00 C ATOM 1505 CG GLU A 97 5.066 -22.215 11.714 1.00 0.00 C ATOM 1506 CD GLU A 97 6.545 -22.422 11.347 1.00 0.00 C ATOM 1507 OE1 GLU A 97 7.252 -23.185 12.043 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.032 -21.783 10.388 1.00 0.00 O ATOM 0 H GLU A 97 2.518 -22.299 10.179 1.00 0.00 H new ATOM 0 HA GLU A 97 4.894 -23.749 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.257 -23.355 12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.713 -24.329 11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.659 -21.398 11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.995 -21.913 12.759 1.00 0.00 H new ATOM 1515 N GLU A 98 2.098 -25.378 9.621 1.00 0.00 N ATOM 1516 CA GLU A 98 1.497 -26.666 9.314 1.00 0.00 C ATOM 1517 C GLU A 98 1.624 -26.960 7.818 1.00 0.00 C ATOM 1518 O GLU A 98 1.698 -28.122 7.413 1.00 0.00 O ATOM 1519 CB GLU A 98 0.008 -26.644 9.700 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.245 -26.808 11.205 1.00 0.00 C ATOM 1521 CD GLU A 98 0.064 -28.233 11.701 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -0.808 -29.126 11.583 1.00 0.00 O ATOM 1523 OE2 GLU A 98 1.168 -28.476 12.236 1.00 0.00 O ATOM 0 H GLU A 98 1.426 -24.611 9.650 1.00 0.00 H new ATOM 0 HA GLU A 98 2.014 -27.442 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.430 -25.703 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.508 -27.442 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.369 -26.094 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.285 -26.568 11.424 1.00 0.00 H new ATOM 1530 N LEU A 99 1.640 -25.908 6.997 1.00 0.00 N ATOM 1531 CA LEU A 99 1.502 -26.016 5.553 1.00 0.00 C ATOM 1532 C LEU A 99 2.850 -26.014 4.841 1.00 0.00 C ATOM 1533 O LEU A 99 2.928 -26.574 3.750 1.00 0.00 O ATOM 1534 CB LEU A 99 0.580 -24.890 5.052 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.856 -25.005 5.615 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.634 -23.712 5.369 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.639 -26.169 4.997 1.00 0.00 C ATOM 0 H LEU A 99 1.751 -24.949 7.325 1.00 0.00 H new ATOM 0 HA LEU A 99 1.049 -26.978 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.002 -23.926 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.543 -24.913 3.963 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.751 -25.190 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.642 -23.812 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.127 -22.883 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.689 -23.519 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.640 -26.204 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.713 -26.026 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.122 -27.106 5.204 1.00 0.00 H new ATOM 1549 N VAL A 100 3.912 -25.452 5.430 1.00 0.00 N ATOM 1550 CA VAL A 100 5.266 -25.583 4.889 1.00 0.00 C ATOM 1551 C VAL A 100 5.579 -27.067 4.633 1.00 0.00 C ATOM 1552 O VAL A 100 5.328 -27.926 5.485 1.00 0.00 O ATOM 1553 CB VAL A 100 6.291 -24.866 5.798 1.00 0.00 C ATOM 1554 CG1 VAL A 100 6.279 -25.341 7.258 1.00 0.00 C ATOM 1555 CG2 VAL A 100 7.721 -24.995 5.251 1.00 0.00 C ATOM 0 H VAL A 100 3.857 -24.900 6.286 1.00 0.00 H new ATOM 0 HA VAL A 100 5.337 -25.081 3.924 1.00 0.00 H new ATOM 0 HB VAL A 100 5.975 -23.823 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.027 -24.788 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.293 -25.167 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.509 -26.406 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.413 -24.479 5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.994 -26.049 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.772 -24.549 4.258 1.00 0.00 H new ATOM 1565 N GLY A 101 6.120 -27.370 3.450 1.00 0.00 N ATOM 1566 CA GLY A 101 6.523 -28.711 3.056 1.00 0.00 C ATOM 1567 C GLY A 101 5.376 -29.554 2.495 1.00 0.00 C ATOM 1568 O GLY A 101 5.638 -30.673 2.047 1.00 0.00 O ATOM 0 H GLY A 101 6.291 -26.670 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.311 -28.639 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.950 -29.222 3.919 1.00 0.00 H new ATOM 1572 N GLN A 102 4.127 -29.066 2.499 1.00 0.00 N ATOM 1573 CA GLN A 102 3.030 -29.762 1.836 1.00 0.00 C ATOM 1574 C GLN A 102 3.075 -29.465 0.341 1.00 0.00 C ATOM 1575 O GLN A 102 3.664 -28.475 -0.100 1.00 0.00 O ATOM 1576 CB GLN A 102 1.664 -29.393 2.442 1.00 0.00 C ATOM 1577 CG GLN A 102 1.511 -30.044 3.823 1.00 0.00 C ATOM 1578 CD GLN A 102 0.097 -29.923 4.399 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.894 -30.223 3.736 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.046 -29.513 5.649 1.00 0.00 N ATOM 0 H GLN A 102 3.858 -28.194 2.955 1.00 0.00 H new ATOM 0 HA GLN A 102 3.154 -30.834 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.576 -28.310 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.862 -29.726 1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.777 -31.099 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.217 -29.584 4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.775 -29.264 6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.977 -29.446 6.061 1.00 0.00 H new ATOM 1589 N GLU A 103 2.429 -30.326 -0.438 1.00 0.00 N ATOM 1590 CA GLU A 103 2.387 -30.221 -1.888 1.00 0.00 C ATOM 1591 C GLU A 103 1.026 -29.691 -2.334 1.00 0.00 C ATOM 1592 O GLU A 103 0.011 -29.907 -1.665 1.00 0.00 O ATOM 1593 CB GLU A 103 2.635 -31.590 -2.539 1.00 0.00 C ATOM 1594 CG GLU A 103 4.034 -32.159 -2.262 1.00 0.00 C ATOM 1595 CD GLU A 103 4.431 -33.211 -3.314 1.00 0.00 C ATOM 1596 OE1 GLU A 103 4.523 -32.861 -4.513 1.00 0.00 O ATOM 1597 OE2 GLU A 103 4.660 -34.389 -2.948 1.00 0.00 O ATOM 0 H GLU A 103 1.913 -31.127 -0.073 1.00 0.00 H new ATOM 0 HA GLU A 103 3.171 -29.532 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.887 -32.296 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.495 -31.501 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.764 -31.350 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.056 -32.609 -1.269 1.00 0.00 H new ATOM 1604 N VAL A 104 1.007 -29.057 -3.505 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.193 -28.681 -4.228 1.00 0.00 C ATOM 1606 C VAL A 104 -0.075 -29.209 -5.668 1.00 0.00 C ATOM 1607 O VAL A 104 0.888 -29.912 -5.998 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.422 -27.162 -4.113 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.712 -26.724 -2.669 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.708 -26.299 -4.679 1.00 0.00 C ATOM 0 H VAL A 104 1.862 -28.784 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.086 -29.135 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.300 -26.990 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.866 -25.645 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.609 -27.229 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.133 -26.987 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.459 -25.245 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.634 -26.518 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.837 -26.518 -5.739 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.047 -28.898 -6.531 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.185 -29.510 -7.857 1.00 0.00 C ATOM 1622 C LEU A 105 -1.307 -28.474 -8.981 1.00 0.00 C ATOM 1623 O LEU A 105 -1.624 -28.822 -10.119 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.397 -30.468 -7.834 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.096 -31.930 -8.218 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -1.496 -32.080 -9.621 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.183 -32.599 -7.183 1.00 0.00 C ATOM 0 H LEU A 105 -1.768 -28.207 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.275 -30.069 -8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.829 -30.455 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.156 -30.081 -8.514 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.061 -32.436 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.309 -33.134 -9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.194 -31.685 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.558 -31.528 -9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.989 -33.629 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.241 -32.055 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.670 -32.589 -6.208 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.050 -27.206 -8.668 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.124 -26.079 -9.592 1.00 0.00 C ATOM 1641 C TYR A 106 0.194 -25.304 -9.560 1.00 0.00 C ATOM 1642 O TYR A 106 0.911 -25.325 -8.560 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.316 -25.184 -9.215 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.352 -24.736 -7.760 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.471 -23.738 -7.299 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.257 -25.334 -6.860 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.486 -23.340 -5.950 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.289 -24.933 -5.513 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.405 -23.930 -5.051 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.450 -23.541 -3.747 1.00 0.00 O ATOM 0 H TYR A 106 -0.774 -26.926 -7.727 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.279 -26.437 -10.610 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.302 -24.299 -9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.238 -25.721 -9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.779 -23.275 -7.987 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.930 -26.104 -7.207 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.797 -22.585 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.989 -25.391 -4.830 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.142 -24.052 -3.277 1.00 0.00 H new ATOM 1660 N LYS A 107 0.523 -24.631 -10.661 1.00 0.00 N ATOM 1661 CA LYS A 107 1.721 -23.837 -10.834 1.00 0.00 C ATOM 1662 C LYS A 107 1.669 -22.545 -10.022 1.00 0.00 C ATOM 1663 O LYS A 107 0.585 -22.060 -9.685 1.00 0.00 O ATOM 1664 CB LYS A 107 1.787 -23.493 -12.331 1.00 0.00 C ATOM 1665 CG LYS A 107 3.240 -23.433 -12.783 1.00 0.00 C ATOM 1666 CD LYS A 107 3.415 -23.099 -14.274 1.00 0.00 C ATOM 1667 CE LYS A 107 2.832 -21.742 -14.717 1.00 0.00 C ATOM 1668 NZ LYS A 107 3.491 -20.569 -14.083 1.00 0.00 N ATOM 0 H LYS A 107 -0.071 -24.629 -11.490 1.00 0.00 H new ATOM 0 HA LYS A 107 2.593 -24.393 -10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.247 -24.242 -12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.299 -22.536 -12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.765 -22.685 -12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.714 -24.393 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.479 -23.114 -14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.947 -23.887 -14.864 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.921 -21.655 -15.800 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.768 -21.720 -14.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.347 -19.727 -14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.078 -20.405 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.510 -20.754 -13.986 1.00 0.00 H new ATOM 1682 N LEU A 108 2.833 -21.933 -9.791 1.00 0.00 N ATOM 1683 CA LEU A 108 2.893 -20.571 -9.273 1.00 0.00 C ATOM 1684 C LEU A 108 2.277 -19.662 -10.332 1.00 0.00 C ATOM 1685 O LEU A 108 2.659 -19.729 -11.504 1.00 0.00 O ATOM 1686 CB LEU A 108 4.339 -20.095 -9.017 1.00 0.00 C ATOM 1687 CG LEU A 108 4.911 -20.453 -7.637 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.029 -21.963 -7.451 1.00 0.00 C ATOM 1689 CD2 LEU A 108 6.281 -19.803 -7.445 1.00 0.00 C ATOM 0 H LEU A 108 3.744 -22.362 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 108 2.363 -20.539 -8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.986 -20.523 -9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.375 -19.012 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 108 4.218 -20.071 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.437 -22.177 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.043 -22.419 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.691 -22.373 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.674 -20.066 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.964 -20.159 -8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.183 -18.720 -7.519 1.00 0.00 H new ATOM 1701 N THR A 109 1.369 -18.800 -9.900 1.00 0.00 N ATOM 1702 CA THR A 109 0.839 -17.665 -10.636 1.00 0.00 C ATOM 1703 C THR A 109 0.589 -16.597 -9.569 1.00 0.00 C ATOM 1704 O THR A 109 0.438 -16.932 -8.386 1.00 0.00 O ATOM 1705 CB THR A 109 -0.458 -18.004 -11.403 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.477 -18.433 -10.523 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.268 -19.083 -12.474 1.00 0.00 C ATOM 0 H THR A 109 0.959 -18.880 -8.970 1.00 0.00 H new ATOM 0 HA THR A 109 1.535 -17.335 -11.407 1.00 0.00 H new ATOM 0 HB THR A 109 -0.744 -17.076 -11.898 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.285 -17.899 -10.673 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.218 -19.272 -12.973 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.465 -18.744 -13.206 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.085 -20.002 -12.006 1.00 0.00 H new ATOM 1715 N SER A 110 0.509 -15.324 -9.960 1.00 0.00 N ATOM 1716 CA SER A 110 0.180 -14.261 -9.022 1.00 0.00 C ATOM 1717 C SER A 110 -1.148 -14.570 -8.314 1.00 0.00 C ATOM 1718 O SER A 110 -1.248 -14.389 -7.103 1.00 0.00 O ATOM 1719 CB SER A 110 0.152 -12.919 -9.768 1.00 0.00 C ATOM 1720 OG SER A 110 1.327 -12.777 -10.541 1.00 0.00 O ATOM 0 H SER A 110 0.668 -15.009 -10.917 1.00 0.00 H new ATOM 0 HA SER A 110 0.942 -14.194 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.726 -12.868 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.073 -12.098 -9.056 1.00 0.00 H new ATOM 0 HG SER A 110 2.093 -13.125 -10.039 1.00 0.00 H new ATOM 1726 N GLU A 111 -2.132 -15.115 -9.041 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.433 -15.457 -8.488 1.00 0.00 C ATOM 1728 C GLU A 111 -3.327 -16.632 -7.507 1.00 0.00 C ATOM 1729 O GLU A 111 -3.867 -16.552 -6.403 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.395 -15.769 -9.647 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.828 -16.016 -9.162 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.798 -16.204 -10.342 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.988 -17.350 -10.809 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -7.401 -15.209 -10.807 1.00 0.00 O ATOM 0 H GLU A 111 -2.039 -15.329 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.822 -14.613 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.391 -14.939 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.039 -16.648 -10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.851 -16.901 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.156 -15.176 -8.550 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.631 -17.714 -7.874 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.578 -18.920 -7.046 1.00 0.00 C ATOM 1743 C ASN A 112 -1.834 -18.651 -5.745 1.00 0.00 C ATOM 1744 O ASN A 112 -2.249 -19.132 -4.687 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.894 -20.084 -7.783 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.779 -20.767 -8.824 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.006 -20.715 -8.767 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.179 -21.435 -9.794 1.00 0.00 N ATOM 0 H ASN A 112 -2.097 -17.777 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.608 -19.200 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.995 -19.711 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.573 -20.825 -7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.735 -21.913 -10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.160 -21.473 -9.833 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.741 -17.889 -5.804 1.00 0.00 N ATOM 1756 CA CYS A 113 0.016 -17.571 -4.608 1.00 0.00 C ATOM 1757 C CYS A 113 -0.800 -16.635 -3.712 1.00 0.00 C ATOM 1758 O CYS A 113 -0.857 -16.876 -2.507 1.00 0.00 O ATOM 1759 CB CYS A 113 1.381 -16.989 -4.984 1.00 0.00 C ATOM 1760 SG CYS A 113 2.274 -18.178 -6.029 1.00 0.00 S ATOM 0 H CYS A 113 -0.368 -17.486 -6.664 1.00 0.00 H new ATOM 0 HA CYS A 113 0.208 -18.480 -4.037 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.253 -16.045 -5.515 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.957 -16.773 -4.084 1.00 0.00 H new ATOM 0 HG CYS A 113 3.509 -17.796 -6.163 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.474 -15.624 -4.281 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.331 -14.708 -3.526 1.00 0.00 C ATOM 1768 C GLU A 114 -3.443 -15.483 -2.813 1.00 0.00 C ATOM 1769 O GLU A 114 -3.710 -15.242 -1.633 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.935 -13.651 -4.466 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.653 -12.525 -3.707 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.303 -11.485 -4.644 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -3.722 -11.106 -5.685 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -5.423 -11.027 -4.322 1.00 0.00 O ATOM 0 H GLU A 114 -1.437 -15.421 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.725 -14.203 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.143 -13.222 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.639 -14.133 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.421 -12.958 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.940 -12.022 -3.054 1.00 0.00 H new ATOM 1781 N HIS A 115 -4.067 -16.427 -3.526 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.144 -17.269 -3.029 1.00 0.00 C ATOM 1783 C HIS A 115 -4.665 -18.007 -1.785 1.00 0.00 C ATOM 1784 O HIS A 115 -5.280 -17.882 -0.724 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.584 -18.218 -4.159 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.536 -19.321 -3.761 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.904 -19.356 -4.052 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.182 -20.494 -3.158 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.345 -20.538 -3.584 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.334 -21.239 -3.041 1.00 0.00 N ATOM 0 H HIS A 115 -3.823 -16.627 -4.496 1.00 0.00 H new ATOM 0 HA HIS A 115 -6.013 -16.679 -2.736 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.054 -17.624 -4.943 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.693 -18.672 -4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.192 -20.781 -2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.369 -20.877 -3.637 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.408 -22.163 -2.616 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.532 -18.714 -1.887 1.00 0.00 N ATOM 1799 CA PHE A 116 -3.017 -19.482 -0.770 1.00 0.00 C ATOM 1800 C PHE A 116 -2.724 -18.588 0.422 1.00 0.00 C ATOM 1801 O PHE A 116 -3.234 -18.857 1.505 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.763 -20.259 -1.191 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.970 -20.842 -0.027 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.265 -22.124 0.475 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.056 -20.085 0.575 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.542 -22.635 1.569 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.752 -20.576 1.693 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.460 -21.861 2.183 1.00 0.00 C ATOM 0 H PHE A 116 -2.964 -18.764 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.782 -20.197 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.058 -21.070 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.113 -19.596 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.046 -22.715 0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.310 -19.116 0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.757 -23.626 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.506 -19.970 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.004 -22.254 3.029 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.928 -17.530 0.255 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.506 -16.746 1.416 1.00 0.00 C ATOM 1820 C VAL A 117 -2.711 -16.109 2.119 1.00 0.00 C ATOM 1821 O VAL A 117 -2.682 -15.929 3.336 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.404 -15.726 1.078 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.862 -16.402 0.536 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.854 -14.630 0.103 1.00 0.00 C ATOM 0 H VAL A 117 -1.572 -17.204 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.049 -17.438 2.124 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.176 -15.245 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.612 -15.643 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.255 -17.091 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.620 -16.953 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.024 -13.949 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.172 -15.085 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.686 -14.076 0.538 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.800 -15.820 1.397 1.00 0.00 N ATOM 1835 CA ASN A 118 -5.018 -15.294 2.007 1.00 0.00 C ATOM 1836 C ASN A 118 -5.728 -16.349 2.851 1.00 0.00 C ATOM 1837 O ASN A 118 -6.271 -16.005 3.903 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.952 -14.693 0.953 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.580 -13.246 0.691 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.141 -12.338 1.290 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.590 -12.999 -0.149 1.00 0.00 N ATOM 0 H ASN A 118 -3.858 -15.944 0.386 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.724 -14.490 2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.886 -15.267 0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.985 -14.755 1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.282 -12.039 -0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.134 -13.768 -0.640 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.659 -17.628 2.474 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.155 -18.729 3.306 1.00 0.00 C ATOM 1850 C GLU A 119 -5.443 -18.766 4.665 1.00 0.00 C ATOM 1851 O GLU A 119 -6.006 -19.269 5.637 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.002 -20.104 2.622 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.618 -20.242 1.217 1.00 0.00 C ATOM 1854 CD GLU A 119 -7.885 -21.113 1.194 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -7.772 -22.361 1.227 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -8.999 -20.552 1.115 1.00 0.00 O ATOM 0 H GLU A 119 -5.259 -17.930 1.586 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.217 -18.535 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.939 -20.335 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.451 -20.859 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.860 -19.250 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.877 -20.672 0.543 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.219 -18.238 4.766 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.485 -18.173 6.018 1.00 0.00 C ATOM 1865 C LEU A 120 -3.810 -16.855 6.717 1.00 0.00 C ATOM 1866 O LEU A 120 -4.227 -16.864 7.872 1.00 0.00 O ATOM 1867 CB LEU A 120 -1.969 -18.305 5.785 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.466 -19.725 5.474 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -2.073 -20.364 4.227 1.00 0.00 C ATOM 1870 CD2 LEU A 120 0.050 -19.686 5.275 1.00 0.00 C ATOM 0 H LEU A 120 -3.713 -17.844 3.973 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.789 -19.007 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.688 -17.650 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.450 -17.941 6.672 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.771 -20.332 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.657 -21.362 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.154 -20.434 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.841 -19.752 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.414 -20.689 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.291 -19.022 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.527 -19.319 6.184 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.652 -15.725 6.016 1.00 0.00 N ATOM 1883 CA ARG A 121 -3.807 -14.375 6.568 1.00 0.00 C ATOM 1884 C ARG A 121 -5.200 -14.120 7.124 1.00 0.00 C ATOM 1885 O ARG A 121 -5.339 -13.386 8.104 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.523 -13.348 5.451 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.582 -11.873 5.896 1.00 0.00 C ATOM 1888 CD ARG A 121 -2.381 -11.561 6.790 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.382 -10.199 7.330 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.999 -9.811 8.448 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.002 -10.529 8.952 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.594 -8.705 9.061 1.00 0.00 N ATOM 0 H ARG A 121 -3.407 -15.725 5.026 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.103 -14.277 7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.535 -13.548 5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.243 -13.499 4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.579 -11.219 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.510 -11.682 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.363 -12.270 7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.465 -11.714 6.219 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.869 -9.489 6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.304 -11.383 8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.468 -10.225 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.820 -8.163 8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.057 -8.397 9.916 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.207 -14.659 6.445 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.610 -14.323 6.665 1.00 0.00 C ATOM 1908 C TYR A 122 -8.501 -15.577 6.667 1.00 0.00 C ATOM 1909 O TYR A 122 -9.726 -15.474 6.672 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.002 -13.281 5.594 1.00 0.00 C ATOM 1911 CG TYR A 122 -9.199 -12.395 5.898 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -9.010 -11.162 6.555 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -10.488 -12.764 5.467 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -10.104 -10.309 6.798 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -11.589 -11.926 5.718 1.00 0.00 C ATOM 1916 CZ TYR A 122 -11.400 -10.695 6.388 1.00 0.00 C ATOM 1917 OH TYR A 122 -12.460 -9.878 6.648 1.00 0.00 O ATOM 0 H TYR A 122 -6.069 -15.355 5.712 1.00 0.00 H new ATOM 0 HA TYR A 122 -7.761 -13.888 7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.141 -12.637 5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.201 -13.811 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.020 -10.870 6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.632 -13.696 4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -9.953 -9.363 7.296 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -12.578 -12.222 5.400 1.00 0.00 H new ATOM 0 HH TYR A 122 -13.281 -10.286 6.301 1.00 0.00 H new ATOM 1927 N GLY A 123 -7.916 -16.778 6.681 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.640 -18.024 6.903 1.00 0.00 C ATOM 1929 C GLY A 123 -9.168 -18.633 5.607 1.00 0.00 C ATOM 1930 O GLY A 123 -9.239 -19.859 5.499 1.00 0.00 O ATOM 0 H GLY A 123 -6.915 -16.909 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.982 -18.740 7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.474 -17.840 7.580 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.482 -17.805 4.611 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.957 -18.192 3.302 1.00 0.00 C ATOM 1936 C VAL A 124 -9.391 -17.207 2.273 1.00 0.00 C ATOM 1937 O VAL A 124 -9.228 -16.020 2.578 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.500 -18.179 3.285 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.088 -19.450 3.915 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.146 -16.951 3.955 1.00 0.00 C ATOM 0 H VAL A 124 -9.404 -16.793 4.711 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.625 -19.201 3.057 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.745 -18.130 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.176 -19.402 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.747 -20.323 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.758 -19.529 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.231 -17.032 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.844 -16.907 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.820 -16.045 3.445 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.088 -17.700 1.068 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.762 -16.880 -0.088 1.00 0.00 C ATOM 1952 C ALA A 125 -9.795 -15.767 -0.282 1.00 0.00 C ATOM 1953 O ALA A 125 -11.011 -16.049 -0.210 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.678 -17.755 -1.337 1.00 0.00 C ATOM 1955 OXT ALA A 125 -9.386 -14.623 -0.564 1.00 0.00 O ATOM 0 H ALA A 125 -9.064 -18.701 0.872 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.794 -16.410 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.434 -17.135 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.903 -18.510 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.637 -18.246 -1.503 1.00 0.00 H new