USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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 25 MET CE :methyl -165:sc= -0.364 (180deg=-0.987) USER MOD Set 1.2: A 40 CYS SG : rot -130:sc= -0.658 USER MOD Set 1.3: A 53 SER OG : rot 82:sc= -0.365 USER MOD Single : A 3 MET CE :methyl -176:sc= 0 (180deg=-0.0232) USER MOD Single : A 6 TYR OH : rot -18:sc= 0.194 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 24 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.37) USER MOD Single : A 26 GLN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD Single : A 27 THR OG1 : rot 73:sc= 0.437 USER MOD Single : A 30 SER OG : rot -92:sc= 0.186 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.65 K(o=-1.7,f=-9.4!) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0.379 (180deg=0.337) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -4.898 11.522 -0.530 1.00 0.00 N ATOM 16 CA VAL A 2 -5.519 10.283 -0.085 1.00 0.00 C ATOM 17 C VAL A 2 -4.473 9.202 0.168 1.00 0.00 C ATOM 18 O VAL A 2 -3.858 8.689 -0.767 1.00 0.00 O ATOM 19 CB VAL A 2 -6.539 9.762 -1.117 1.00 0.00 C ATOM 20 CG1 VAL A 2 -7.273 8.543 -0.581 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.522 10.859 -1.497 1.00 0.00 C ATOM 0 HA VAL A 2 -6.038 10.508 0.847 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.996 9.463 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.988 8.192 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.555 7.752 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.803 8.810 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.234 10.473 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.057 11.192 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.980 11.700 -1.930 1.00 0.00 H new ATOM 31 N MET A 3 -4.279 8.856 1.437 1.00 0.00 N ATOM 32 CA MET A 3 -3.311 7.831 1.811 1.00 0.00 C ATOM 33 C MET A 3 -3.891 6.439 1.586 1.00 0.00 C ATOM 34 O MET A 3 -5.103 6.280 1.436 1.00 0.00 O ATOM 35 CB MET A 3 -2.903 7.998 3.274 1.00 0.00 C ATOM 36 CG MET A 3 -2.222 9.325 3.568 1.00 0.00 C ATOM 37 SD MET A 3 -2.127 9.680 5.334 1.00 0.00 S ATOM 38 CE MET A 3 -0.630 10.661 5.402 1.00 0.00 C ATOM 0 H MET A 3 -4.779 9.270 2.223 1.00 0.00 H new ATOM 0 HA MET A 3 -2.428 7.946 1.182 1.00 0.00 H new ATOM 0 HB2 MET A 3 -3.789 7.907 3.902 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.231 7.185 3.550 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.216 9.313 3.149 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.766 10.127 3.069 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.397 10.898 6.440 1.00 0.00 H new ATOM 0 HE2 MET A 3 0.194 10.098 4.965 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.775 11.585 4.843 1.00 0.00 H new ATOM 48 N TRP A 4 -3.023 5.432 1.557 1.00 0.00 N ATOM 49 CA TRP A 4 -3.465 4.058 1.340 1.00 0.00 C ATOM 50 C TRP A 4 -2.579 3.058 2.074 1.00 0.00 C ATOM 51 O TRP A 4 -1.390 2.934 1.777 1.00 0.00 O ATOM 52 CB TRP A 4 -3.467 3.731 -0.151 1.00 0.00 C ATOM 53 CG TRP A 4 -4.541 4.439 -0.915 1.00 0.00 C ATOM 54 CD1 TRP A 4 -4.573 5.760 -1.252 1.00 0.00 C ATOM 55 CD2 TRP A 4 -5.739 3.861 -1.439 1.00 0.00 C ATOM 56 NE1 TRP A 4 -5.718 6.039 -1.958 1.00 0.00 N ATOM 57 CE2 TRP A 4 -6.450 4.888 -2.085 1.00 0.00 C ATOM 58 CE3 TRP A 4 -6.278 2.573 -1.425 1.00 0.00 C ATOM 59 CZ2 TRP A 4 -7.673 4.665 -2.713 1.00 0.00 C ATOM 60 CZ3 TRP A 4 -7.491 2.353 -2.046 1.00 0.00 C ATOM 61 CH2 TRP A 4 -8.178 3.394 -2.683 1.00 0.00 C ATOM 0 H TRP A 4 -2.016 5.540 1.680 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.477 3.976 1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.497 3.994 -0.574 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -3.590 2.656 -0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.810 6.481 -1.001 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.980 6.953 -2.327 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.755 1.764 -0.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.203 5.466 -3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.918 1.361 -2.041 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -9.125 3.189 -3.160 1.00 0.00 H new ATOM 72 N GLU A 5 -3.170 2.332 3.017 1.00 0.00 N ATOM 73 CA GLU A 5 -2.438 1.326 3.777 1.00 0.00 C ATOM 74 C GLU A 5 -2.093 0.139 2.886 1.00 0.00 C ATOM 75 O GLU A 5 -2.665 -0.023 1.809 1.00 0.00 O ATOM 76 CB GLU A 5 -3.262 0.857 4.978 1.00 0.00 C ATOM 77 CG GLU A 5 -4.605 0.255 4.600 1.00 0.00 C ATOM 78 CD GLU A 5 -4.937 -0.985 5.406 1.00 0.00 C ATOM 79 OE1 GLU A 5 -4.347 -2.050 5.127 1.00 0.00 O ATOM 80 OE2 GLU A 5 -5.786 -0.892 6.318 1.00 0.00 O ATOM 0 H GLU A 5 -4.153 2.422 3.273 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.514 1.775 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.687 0.118 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.428 1.702 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.387 1.000 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.600 0.004 3.539 1.00 0.00 H new ATOM 87 N TYR A 6 -1.157 -0.690 3.336 1.00 0.00 N ATOM 88 CA TYR A 6 -0.748 -1.862 2.571 1.00 0.00 C ATOM 89 C TYR A 6 -0.236 -2.967 3.494 1.00 0.00 C ATOM 90 O TYR A 6 0.514 -2.706 4.436 1.00 0.00 O ATOM 91 CB TYR A 6 0.328 -1.489 1.540 1.00 0.00 C ATOM 92 CG TYR A 6 1.741 -1.487 2.086 1.00 0.00 C ATOM 93 CD1 TYR A 6 2.454 -2.671 2.223 1.00 0.00 C ATOM 94 CD2 TYR A 6 2.361 -0.302 2.463 1.00 0.00 C ATOM 95 CE1 TYR A 6 3.743 -2.676 2.720 1.00 0.00 C ATOM 96 CE2 TYR A 6 3.651 -0.299 2.960 1.00 0.00 C ATOM 97 CZ TYR A 6 4.337 -1.489 3.087 1.00 0.00 C ATOM 98 OH TYR A 6 5.620 -1.489 3.582 1.00 0.00 O ATOM 0 H TYR A 6 -0.669 -0.573 4.224 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.623 -2.237 2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.274 -2.189 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.104 -0.500 1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.993 -3.604 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.827 0.632 2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.282 -3.606 2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.119 0.631 3.247 1.00 0.00 H new ATOM 0 HH TYR A 6 5.858 -2.394 3.873 1.00 0.00 H new ATOM 108 N LYS A 7 -0.639 -4.200 3.211 1.00 0.00 N ATOM 109 CA LYS A 7 -0.214 -5.346 4.005 1.00 0.00 C ATOM 110 C LYS A 7 0.404 -6.413 3.107 1.00 0.00 C ATOM 111 O LYS A 7 -0.191 -6.817 2.108 1.00 0.00 O ATOM 112 CB LYS A 7 -1.399 -5.927 4.784 1.00 0.00 C ATOM 113 CG LYS A 7 -1.058 -7.182 5.569 1.00 0.00 C ATOM 114 CD LYS A 7 -2.312 -7.891 6.057 1.00 0.00 C ATOM 115 CE LYS A 7 -2.878 -7.229 7.302 1.00 0.00 C ATOM 116 NZ LYS A 7 -4.366 -7.251 7.317 1.00 0.00 N ATOM 0 H LYS A 7 -1.261 -4.432 2.436 1.00 0.00 H new ATOM 0 HA LYS A 7 0.539 -5.012 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.776 -5.170 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.205 -6.154 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.477 -7.858 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.431 -6.920 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.064 -7.887 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.081 -8.934 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.499 -7.739 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.530 -6.197 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.711 -6.790 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.729 -6.743 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.699 -8.236 7.293 1.00 0.00 H new ATOM 130 N TRP A 8 1.603 -6.857 3.464 1.00 0.00 N ATOM 131 CA TRP A 8 2.308 -7.868 2.686 1.00 0.00 C ATOM 132 C TRP A 8 1.491 -9.151 2.584 1.00 0.00 C ATOM 133 O TRP A 8 1.273 -9.674 1.492 1.00 0.00 O ATOM 134 CB TRP A 8 3.668 -8.166 3.317 1.00 0.00 C ATOM 135 CG TRP A 8 4.647 -7.040 3.180 1.00 0.00 C ATOM 136 CD1 TRP A 8 5.216 -6.318 4.191 1.00 0.00 C ATOM 137 CD2 TRP A 8 5.172 -6.506 1.960 1.00 0.00 C ATOM 138 NE1 TRP A 8 6.063 -5.370 3.673 1.00 0.00 N ATOM 139 CE2 TRP A 8 6.054 -5.464 2.306 1.00 0.00 C ATOM 140 CE3 TRP A 8 4.983 -6.806 0.608 1.00 0.00 C ATOM 141 CZ2 TRP A 8 6.745 -4.725 1.350 1.00 0.00 C ATOM 142 CZ3 TRP A 8 5.670 -6.071 -0.339 1.00 0.00 C ATOM 143 CH2 TRP A 8 6.543 -5.042 0.036 1.00 0.00 C ATOM 0 H TRP A 8 2.108 -6.532 4.289 1.00 0.00 H new ATOM 0 HA TRP A 8 2.457 -7.476 1.680 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.528 -8.390 4.375 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.087 -9.060 2.855 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.027 -6.471 5.243 1.00 0.00 H new ATOM 0 HE1 TRP A 8 6.610 -4.704 4.218 1.00 0.00 H new ATOM 0 HE3 TRP A 8 4.312 -7.598 0.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 7.417 -3.929 1.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 5.531 -6.294 -1.387 1.00 0.00 H new ATOM 0 HH2 TRP A 8 7.067 -4.488 -0.729 1.00 0.00 H new ATOM 154 N GLU A 9 1.045 -9.655 3.729 1.00 0.00 N ATOM 155 CA GLU A 9 0.256 -10.881 3.766 1.00 0.00 C ATOM 156 C GLU A 9 -1.234 -10.573 3.663 1.00 0.00 C ATOM 157 O GLU A 9 -1.663 -9.442 3.891 1.00 0.00 O ATOM 158 CB GLU A 9 0.542 -11.659 5.051 1.00 0.00 C ATOM 159 CG GLU A 9 2.023 -11.867 5.317 1.00 0.00 C ATOM 160 CD GLU A 9 2.627 -12.945 4.437 1.00 0.00 C ATOM 161 OE1 GLU A 9 2.300 -12.980 3.232 1.00 0.00 O ATOM 162 OE2 GLU A 9 3.427 -13.752 4.954 1.00 0.00 O ATOM 0 H GLU A 9 1.216 -9.235 4.643 1.00 0.00 H new ATOM 0 HA GLU A 9 0.541 -11.492 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.101 -11.127 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.051 -12.631 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.553 -10.929 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.166 -12.135 6.364 1.00 0.00 H new ATOM 226 N GLU A 15 1.393 -7.536 9.435 1.00 0.00 N ATOM 227 CA GLU A 15 1.788 -6.156 9.685 1.00 0.00 C ATOM 228 C GLU A 15 0.933 -5.196 8.869 1.00 0.00 C ATOM 229 O GLU A 15 0.629 -5.452 7.704 1.00 0.00 O ATOM 230 CB GLU A 15 3.267 -5.948 9.350 1.00 0.00 C ATOM 231 CG GLU A 15 4.170 -7.084 9.806 1.00 0.00 C ATOM 232 CD GLU A 15 3.939 -7.471 11.255 1.00 0.00 C ATOM 233 OE1 GLU A 15 3.994 -6.578 12.126 1.00 0.00 O ATOM 234 OE2 GLU A 15 3.702 -8.670 11.519 1.00 0.00 O ATOM 0 HA GLU A 15 1.635 -5.949 10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.371 -5.825 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.606 -5.020 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.002 -7.954 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.211 -6.790 9.674 1.00 0.00 H new ATOM 241 N LEU A 16 0.547 -4.095 9.494 1.00 0.00 N ATOM 242 CA LEU A 16 -0.278 -3.089 8.834 1.00 0.00 C ATOM 243 C LEU A 16 0.493 -1.790 8.630 1.00 0.00 C ATOM 244 O LEU A 16 0.835 -1.099 9.589 1.00 0.00 O ATOM 245 CB LEU A 16 -1.543 -2.820 9.654 1.00 0.00 C ATOM 246 CG LEU A 16 -2.776 -2.434 8.836 1.00 0.00 C ATOM 247 CD1 LEU A 16 -2.461 -1.269 7.910 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.278 -3.629 8.039 1.00 0.00 C ATOM 0 H LEU A 16 0.791 -3.873 10.459 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.559 -3.477 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.777 -3.712 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.333 -2.021 10.365 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.562 -2.121 9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.351 -1.009 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.146 -0.409 8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.660 -1.553 7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.156 -3.339 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.495 -3.969 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.543 -4.436 8.722 1.00 0.00 H new ATOM 260 N TYR A 17 0.758 -1.462 7.370 1.00 0.00 N ATOM 261 CA TYR A 17 1.480 -0.243 7.027 1.00 0.00 C ATOM 262 C TYR A 17 0.770 0.496 5.897 1.00 0.00 C ATOM 263 O TYR A 17 -0.396 0.232 5.607 1.00 0.00 O ATOM 264 CB TYR A 17 2.914 -0.571 6.602 1.00 0.00 C ATOM 265 CG TYR A 17 3.714 -1.319 7.642 1.00 0.00 C ATOM 266 CD1 TYR A 17 4.139 -0.688 8.802 1.00 0.00 C ATOM 267 CD2 TYR A 17 4.056 -2.651 7.455 1.00 0.00 C ATOM 268 CE1 TYR A 17 4.881 -1.363 9.751 1.00 0.00 C ATOM 269 CE2 TYR A 17 4.798 -3.334 8.397 1.00 0.00 C ATOM 270 CZ TYR A 17 5.209 -2.687 9.544 1.00 0.00 C ATOM 271 OH TYR A 17 5.950 -3.364 10.485 1.00 0.00 O ATOM 0 H TYR A 17 0.482 -2.026 6.566 1.00 0.00 H new ATOM 0 HA TYR A 17 1.507 0.395 7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.883 -1.164 5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.431 0.358 6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.885 0.349 8.966 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.736 -3.161 6.558 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.203 -0.858 10.650 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.056 -4.370 8.237 1.00 0.00 H new ATOM 0 HH TYR A 17 6.093 -4.287 10.187 1.00 0.00 H new ATOM 281 N GLY A 18 1.486 1.412 5.255 1.00 0.00 N ATOM 282 CA GLY A 18 0.923 2.160 4.157 1.00 0.00 C ATOM 283 C GLY A 18 0.228 3.449 4.569 1.00 0.00 C ATOM 284 O GLY A 18 -0.686 3.894 3.876 1.00 0.00 O ATOM 0 H GLY A 18 2.452 1.648 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.718 2.399 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.208 1.528 3.631 1.00 0.00 H new ATOM 288 N PRO A 19 0.635 4.102 5.675 1.00 0.00 N ATOM 289 CA PRO A 19 0.016 5.356 6.098 1.00 0.00 C ATOM 290 C PRO A 19 0.567 6.548 5.316 1.00 0.00 C ATOM 291 O PRO A 19 0.527 7.686 5.784 1.00 0.00 O ATOM 292 CB PRO A 19 0.408 5.449 7.568 1.00 0.00 C ATOM 293 CG PRO A 19 1.739 4.784 7.634 1.00 0.00 C ATOM 294 CD PRO A 19 1.723 3.697 6.587 1.00 0.00 C ATOM 0 HA PRO A 19 -1.061 5.374 5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.464 6.486 7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.320 4.948 8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.540 5.498 7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.916 4.366 8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.678 3.630 6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.532 2.719 7.029 1.00 0.00 H new ATOM 302 N PHE A 20 1.090 6.268 4.124 1.00 0.00 N ATOM 303 CA PHE A 20 1.662 7.295 3.263 1.00 0.00 C ATOM 304 C PHE A 20 0.627 7.802 2.267 1.00 0.00 C ATOM 305 O PHE A 20 -0.417 7.178 2.070 1.00 0.00 O ATOM 306 CB PHE A 20 2.879 6.735 2.519 1.00 0.00 C ATOM 307 CG PHE A 20 3.639 5.701 3.303 1.00 0.00 C ATOM 308 CD1 PHE A 20 3.251 4.370 3.276 1.00 0.00 C ATOM 309 CD2 PHE A 20 4.736 6.059 4.070 1.00 0.00 C ATOM 310 CE1 PHE A 20 3.942 3.417 3.997 1.00 0.00 C ATOM 311 CE2 PHE A 20 5.431 5.109 4.795 1.00 0.00 C ATOM 312 CZ PHE A 20 5.032 3.787 4.758 1.00 0.00 C ATOM 0 H PHE A 20 1.128 5.327 3.731 1.00 0.00 H new ATOM 0 HA PHE A 20 1.977 8.132 3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.549 6.295 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.551 7.556 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.398 4.075 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.052 7.091 4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.630 2.384 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.285 5.400 5.389 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.573 3.043 5.324 1.00 0.00 H new ATOM 322 N THR A 21 0.921 8.934 1.640 1.00 0.00 N ATOM 323 CA THR A 21 0.013 9.522 0.662 1.00 0.00 C ATOM 324 C THR A 21 -0.031 8.682 -0.608 1.00 0.00 C ATOM 325 O THR A 21 0.964 8.064 -0.986 1.00 0.00 O ATOM 326 CB THR A 21 0.447 10.950 0.329 1.00 0.00 C ATOM 327 OG1 THR A 21 1.641 10.948 -0.433 1.00 0.00 O ATOM 328 CG2 THR A 21 0.687 11.803 1.555 1.00 0.00 C ATOM 0 H THR A 21 1.780 9.463 1.791 1.00 0.00 H new ATOM 0 HA THR A 21 -0.987 9.546 1.096 1.00 0.00 H new ATOM 0 HB THR A 21 -0.381 11.378 -0.236 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.900 11.871 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.992 12.803 1.248 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.231 11.867 2.139 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.473 11.354 2.162 1.00 0.00 H new ATOM 336 N SER A 22 -1.190 8.667 -1.269 1.00 0.00 N ATOM 337 CA SER A 22 -1.355 7.907 -2.507 1.00 0.00 C ATOM 338 C SER A 22 -0.166 8.140 -3.433 1.00 0.00 C ATOM 339 O SER A 22 0.228 7.261 -4.198 1.00 0.00 O ATOM 340 CB SER A 22 -2.655 8.304 -3.209 1.00 0.00 C ATOM 341 OG SER A 22 -2.609 7.993 -4.591 1.00 0.00 O ATOM 0 H SER A 22 -2.024 9.171 -0.968 1.00 0.00 H new ATOM 0 HA SER A 22 -1.404 6.847 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.494 7.786 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.829 9.372 -3.080 1.00 0.00 H new ATOM 0 HG SER A 22 -3.453 8.256 -5.014 1.00 0.00 H new ATOM 347 N ALA A 23 0.408 9.335 -3.336 1.00 0.00 N ATOM 348 CA ALA A 23 1.561 9.700 -4.140 1.00 0.00 C ATOM 349 C ALA A 23 2.743 8.790 -3.824 1.00 0.00 C ATOM 350 O ALA A 23 3.389 8.254 -4.726 1.00 0.00 O ATOM 351 CB ALA A 23 1.928 11.152 -3.883 1.00 0.00 C ATOM 0 H ALA A 23 0.088 10.069 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 23 1.309 9.578 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.794 11.421 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.087 11.792 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.167 11.286 -2.828 1.00 0.00 H new ATOM 357 N GLN A 24 3.015 8.618 -2.534 1.00 0.00 N ATOM 358 CA GLN A 24 4.114 7.769 -2.089 1.00 0.00 C ATOM 359 C GLN A 24 3.813 6.306 -2.380 1.00 0.00 C ATOM 360 O GLN A 24 4.711 5.524 -2.696 1.00 0.00 O ATOM 361 CB GLN A 24 4.368 7.966 -0.592 1.00 0.00 C ATOM 362 CG GLN A 24 5.762 7.554 -0.153 1.00 0.00 C ATOM 363 CD GLN A 24 6.852 8.227 -0.965 1.00 0.00 C ATOM 364 OE1 GLN A 24 6.807 9.432 -1.208 1.00 0.00 O ATOM 365 NE2 GLN A 24 7.840 7.446 -1.389 1.00 0.00 N ATOM 0 H GLN A 24 2.489 9.056 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 24 5.011 8.055 -2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.212 9.015 -0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.634 7.390 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.895 7.800 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.862 6.472 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.836 6.451 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.602 7.841 -1.940 1.00 0.00 H new ATOM 374 N MET A 25 2.542 5.947 -2.280 1.00 0.00 N ATOM 375 CA MET A 25 2.110 4.579 -2.540 1.00 0.00 C ATOM 376 C MET A 25 2.249 4.254 -4.022 1.00 0.00 C ATOM 377 O MET A 25 2.769 3.202 -4.392 1.00 0.00 O ATOM 378 CB MET A 25 0.659 4.381 -2.096 1.00 0.00 C ATOM 379 CG MET A 25 0.507 4.123 -0.606 1.00 0.00 C ATOM 380 SD MET A 25 1.390 2.647 -0.060 1.00 0.00 S ATOM 381 CE MET A 25 0.877 1.466 -1.305 1.00 0.00 C ATOM 0 H MET A 25 1.789 6.584 -2.020 1.00 0.00 H new ATOM 0 HA MET A 25 2.746 3.903 -1.968 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.082 5.266 -2.363 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.231 3.543 -2.647 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.875 4.987 -0.053 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.551 4.018 -0.366 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.114 0.457 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.197 1.552 -1.467 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.402 1.670 -2.238 1.00 0.00 H new ATOM 391 N GLN A 26 1.785 5.172 -4.864 1.00 0.00 N ATOM 392 CA GLN A 26 1.862 4.993 -6.309 1.00 0.00 C ATOM 393 C GLN A 26 3.300 4.729 -6.743 1.00 0.00 C ATOM 394 O GLN A 26 3.557 3.868 -7.582 1.00 0.00 O ATOM 395 CB GLN A 26 1.323 6.233 -7.026 1.00 0.00 C ATOM 396 CG GLN A 26 -0.162 6.161 -7.335 1.00 0.00 C ATOM 397 CD GLN A 26 -0.446 6.117 -8.824 1.00 0.00 C ATOM 398 OE1 GLN A 26 -0.664 7.150 -9.458 1.00 0.00 O ATOM 399 NE2 GLN A 26 -0.446 4.917 -9.392 1.00 0.00 N ATOM 0 H GLN A 26 1.352 6.047 -4.570 1.00 0.00 H new ATOM 0 HA GLN A 26 1.252 4.131 -6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.515 7.111 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.873 6.371 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.585 5.275 -6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.663 7.025 -6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.260 4.087 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.631 4.826 -10.391 1.00 0.00 H new ATOM 408 N THR A 27 4.233 5.476 -6.160 1.00 0.00 N ATOM 409 CA THR A 27 5.644 5.319 -6.483 1.00 0.00 C ATOM 410 C THR A 27 6.107 3.896 -6.190 1.00 0.00 C ATOM 411 O THR A 27 6.644 3.217 -7.061 1.00 0.00 O ATOM 412 CB THR A 27 6.491 6.317 -5.691 1.00 0.00 C ATOM 413 OG1 THR A 27 6.074 7.645 -5.949 1.00 0.00 O ATOM 414 CG2 THR A 27 7.969 6.230 -6.007 1.00 0.00 C ATOM 0 H THR A 27 4.036 6.194 -5.463 1.00 0.00 H new ATOM 0 HA THR A 27 5.772 5.517 -7.547 1.00 0.00 H new ATOM 0 HB THR A 27 6.343 6.054 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.214 7.809 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.512 6.964 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.333 5.230 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.127 6.433 -7.066 1.00 0.00 H new ATOM 422 N TRP A 28 5.891 3.451 -4.958 1.00 0.00 N ATOM 423 CA TRP A 28 6.284 2.108 -4.550 1.00 0.00 C ATOM 424 C TRP A 28 5.588 1.049 -5.400 1.00 0.00 C ATOM 425 O TRP A 28 6.194 0.049 -5.785 1.00 0.00 O ATOM 426 CB TRP A 28 5.946 1.892 -3.075 1.00 0.00 C ATOM 427 CG TRP A 28 6.965 2.464 -2.138 1.00 0.00 C ATOM 428 CD1 TRP A 28 8.324 2.395 -2.259 1.00 0.00 C ATOM 429 CD2 TRP A 28 6.704 3.194 -0.933 1.00 0.00 C ATOM 430 NE1 TRP A 28 8.924 3.033 -1.199 1.00 0.00 N ATOM 431 CE2 TRP A 28 7.950 3.531 -0.372 1.00 0.00 C ATOM 432 CE3 TRP A 28 5.538 3.592 -0.273 1.00 0.00 C ATOM 433 CZ2 TRP A 28 8.062 4.248 0.815 1.00 0.00 C ATOM 434 CZ3 TRP A 28 5.650 4.305 0.906 1.00 0.00 C ATOM 435 CH2 TRP A 28 6.904 4.626 1.439 1.00 0.00 C ATOM 0 H TRP A 28 5.445 4.001 -4.224 1.00 0.00 H new ATOM 0 HA TRP A 28 7.360 2.010 -4.695 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.976 2.342 -2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.849 0.823 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.850 1.910 -3.068 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.929 3.121 -1.052 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.567 3.347 -0.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.028 4.497 1.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.756 4.619 1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.959 5.184 2.362 1.00 0.00 H new ATOM 446 N VAL A 29 4.309 1.272 -5.681 1.00 0.00 N ATOM 447 CA VAL A 29 3.520 0.337 -6.476 1.00 0.00 C ATOM 448 C VAL A 29 3.904 0.385 -7.956 1.00 0.00 C ATOM 449 O VAL A 29 3.796 -0.616 -8.663 1.00 0.00 O ATOM 450 CB VAL A 29 2.010 0.630 -6.331 1.00 0.00 C ATOM 451 CG1 VAL A 29 1.188 -0.277 -7.233 1.00 0.00 C ATOM 452 CG2 VAL A 29 1.575 0.480 -4.881 1.00 0.00 C ATOM 0 H VAL A 29 3.794 2.095 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 29 3.735 -0.661 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 29 1.834 1.660 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.129 -0.049 -7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.476 -0.115 -8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.368 -1.318 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.509 0.690 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.772 -0.538 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.133 1.181 -4.260 1.00 0.00 H new ATOM 462 N SER A 30 4.337 1.552 -8.420 1.00 0.00 N ATOM 463 CA SER A 30 4.719 1.722 -9.820 1.00 0.00 C ATOM 464 C SER A 30 6.222 1.551 -10.022 1.00 0.00 C ATOM 465 O SER A 30 6.667 1.095 -11.076 1.00 0.00 O ATOM 466 CB SER A 30 4.283 3.100 -10.320 1.00 0.00 C ATOM 467 OG SER A 30 5.189 4.106 -9.902 1.00 0.00 O ATOM 0 H SER A 30 4.433 2.393 -7.851 1.00 0.00 H new ATOM 0 HA SER A 30 4.214 0.946 -10.395 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.221 3.092 -11.408 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.285 3.327 -9.945 1.00 0.00 H new ATOM 0 HG SER A 30 4.887 4.485 -9.051 1.00 0.00 H new ATOM 473 N GLU A 31 7.002 1.922 -9.012 1.00 0.00 N ATOM 474 CA GLU A 31 8.456 1.814 -9.088 1.00 0.00 C ATOM 475 C GLU A 31 8.888 0.378 -9.364 1.00 0.00 C ATOM 476 O GLU A 31 9.715 0.127 -10.241 1.00 0.00 O ATOM 477 CB GLU A 31 9.094 2.311 -7.789 1.00 0.00 C ATOM 478 CG GLU A 31 10.614 2.284 -7.807 1.00 0.00 C ATOM 479 CD GLU A 31 11.200 3.221 -8.846 1.00 0.00 C ATOM 480 OE1 GLU A 31 10.546 4.235 -9.167 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.313 2.940 -9.338 1.00 0.00 O ATOM 0 H GLU A 31 6.653 2.300 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 31 8.796 2.438 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.760 3.330 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.738 1.697 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.991 2.558 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.954 1.268 -8.006 1.00 0.00 H new ATOM 488 N GLY A 32 8.325 -0.561 -8.612 1.00 0.00 N ATOM 489 CA GLY A 32 8.670 -1.958 -8.796 1.00 0.00 C ATOM 490 C GLY A 32 8.326 -2.811 -7.591 1.00 0.00 C ATOM 491 O GLY A 32 8.094 -4.013 -7.722 1.00 0.00 O ATOM 0 H GLY A 32 7.638 -0.381 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.147 -2.345 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.737 -2.040 -9.001 1.00 0.00 H new ATOM 495 N TYR A 33 8.294 -2.193 -6.414 1.00 0.00 N ATOM 496 CA TYR A 33 7.977 -2.911 -5.182 1.00 0.00 C ATOM 497 C TYR A 33 6.660 -3.668 -5.317 1.00 0.00 C ATOM 498 O TYR A 33 5.861 -3.390 -6.209 1.00 0.00 O ATOM 499 CB TYR A 33 7.902 -1.939 -4.001 1.00 0.00 C ATOM 500 CG TYR A 33 9.221 -1.275 -3.676 1.00 0.00 C ATOM 501 CD1 TYR A 33 9.653 -0.162 -4.385 1.00 0.00 C ATOM 502 CD2 TYR A 33 10.033 -1.761 -2.658 1.00 0.00 C ATOM 503 CE1 TYR A 33 10.858 0.448 -4.091 1.00 0.00 C ATOM 504 CE2 TYR A 33 11.238 -1.156 -2.358 1.00 0.00 C ATOM 505 CZ TYR A 33 11.646 -0.052 -3.076 1.00 0.00 C ATOM 506 OH TYR A 33 12.846 0.552 -2.781 1.00 0.00 O ATOM 0 H TYR A 33 8.483 -1.199 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 33 8.773 -3.632 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.162 -1.169 -4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.549 -2.477 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.037 0.234 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.717 -2.625 -2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 33 11.181 1.312 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.858 -1.546 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 33 13.277 0.078 -2.040 1.00 0.00 H new ATOM 516 N PHE A 34 6.442 -4.630 -4.426 1.00 0.00 N ATOM 517 CA PHE A 34 5.224 -5.431 -4.447 1.00 0.00 C ATOM 518 C PHE A 34 5.138 -6.245 -5.736 1.00 0.00 C ATOM 519 O PHE A 34 4.157 -6.156 -6.475 1.00 0.00 O ATOM 520 CB PHE A 34 3.984 -4.540 -4.310 1.00 0.00 C ATOM 521 CG PHE A 34 4.180 -3.348 -3.413 1.00 0.00 C ATOM 522 CD1 PHE A 34 5.018 -3.418 -2.312 1.00 0.00 C ATOM 523 CD2 PHE A 34 3.521 -2.158 -3.674 1.00 0.00 C ATOM 524 CE1 PHE A 34 5.196 -2.323 -1.489 1.00 0.00 C ATOM 525 CE2 PHE A 34 3.693 -1.060 -2.852 1.00 0.00 C ATOM 526 CZ PHE A 34 4.531 -1.143 -1.759 1.00 0.00 C ATOM 0 H PHE A 34 7.094 -4.874 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 34 5.258 -6.115 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.689 -4.192 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.160 -5.140 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.538 -4.339 -2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.865 -2.087 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.854 -2.389 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.172 -0.138 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.667 -0.286 -1.115 1.00 0.00 H new ATOM 536 N PRO A 35 6.171 -7.055 -6.025 1.00 0.00 N ATOM 537 CA PRO A 35 6.209 -7.888 -7.229 1.00 0.00 C ATOM 538 C PRO A 35 4.978 -8.779 -7.352 1.00 0.00 C ATOM 539 O PRO A 35 4.624 -9.218 -8.445 1.00 0.00 O ATOM 540 CB PRO A 35 7.476 -8.741 -7.051 1.00 0.00 C ATOM 541 CG PRO A 35 7.866 -8.584 -5.619 1.00 0.00 C ATOM 542 CD PRO A 35 7.377 -7.228 -5.203 1.00 0.00 C ATOM 0 HA PRO A 35 6.219 -7.284 -8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.282 -9.786 -7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.273 -8.403 -7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.418 -9.365 -5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.946 -8.663 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.150 -7.188 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.117 -6.452 -5.401 1.00 0.00 H new ATOM 550 N ASP A 36 4.327 -9.043 -6.222 1.00 0.00 N ATOM 551 CA ASP A 36 3.137 -9.879 -6.203 1.00 0.00 C ATOM 552 C ASP A 36 1.904 -9.074 -5.790 1.00 0.00 C ATOM 553 O ASP A 36 0.773 -9.532 -5.953 1.00 0.00 O ATOM 554 CB ASP A 36 3.341 -11.055 -5.248 1.00 0.00 C ATOM 555 CG ASP A 36 2.108 -11.932 -5.129 1.00 0.00 C ATOM 556 OD1 ASP A 36 1.417 -12.126 -6.152 1.00 0.00 O ATOM 557 OD2 ASP A 36 1.836 -12.426 -4.015 1.00 0.00 O ATOM 0 H ASP A 36 4.607 -8.688 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 36 2.971 -10.258 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.179 -11.659 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.609 -10.675 -4.262 1.00 0.00 H new ATOM 562 N GLY A 37 2.127 -7.879 -5.248 1.00 0.00 N ATOM 563 CA GLY A 37 1.024 -7.045 -4.816 1.00 0.00 C ATOM 564 C GLY A 37 0.871 -7.045 -3.313 1.00 0.00 C ATOM 565 O GLY A 37 1.334 -7.961 -2.634 1.00 0.00 O ATOM 0 H GLY A 37 3.052 -7.476 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.183 -6.024 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.101 -7.399 -5.275 1.00 0.00 H new ATOM 569 N VAL A 38 0.221 -6.016 -2.787 1.00 0.00 N ATOM 570 CA VAL A 38 0.014 -5.909 -1.352 1.00 0.00 C ATOM 571 C VAL A 38 -1.443 -5.611 -1.024 1.00 0.00 C ATOM 572 O VAL A 38 -2.197 -5.133 -1.871 1.00 0.00 O ATOM 573 CB VAL A 38 0.904 -4.815 -0.734 1.00 0.00 C ATOM 574 CG1 VAL A 38 2.358 -5.255 -0.731 1.00 0.00 C ATOM 575 CG2 VAL A 38 0.746 -3.501 -1.482 1.00 0.00 C ATOM 0 H VAL A 38 -0.170 -5.247 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 38 0.288 -6.873 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 38 0.586 -4.658 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.974 -4.471 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.460 -6.169 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.684 -5.441 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.385 -2.744 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.033 -3.639 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.293 -3.177 -1.432 1.00 0.00 H new ATOM 585 N TYR A 39 -1.828 -5.896 0.212 1.00 0.00 N ATOM 586 CA TYR A 39 -3.192 -5.663 0.663 1.00 0.00 C ATOM 587 C TYR A 39 -3.427 -4.174 0.882 1.00 0.00 C ATOM 588 O TYR A 39 -3.230 -3.660 1.984 1.00 0.00 O ATOM 589 CB TYR A 39 -3.445 -6.440 1.955 1.00 0.00 C ATOM 590 CG TYR A 39 -4.438 -7.568 1.799 1.00 0.00 C ATOM 591 CD1 TYR A 39 -4.414 -8.391 0.680 1.00 0.00 C ATOM 592 CD2 TYR A 39 -5.398 -7.812 2.773 1.00 0.00 C ATOM 593 CE1 TYR A 39 -5.320 -9.425 0.534 1.00 0.00 C ATOM 594 CE2 TYR A 39 -6.307 -8.843 2.635 1.00 0.00 C ATOM 595 CZ TYR A 39 -6.265 -9.646 1.514 1.00 0.00 C ATOM 596 OH TYR A 39 -7.169 -10.674 1.374 1.00 0.00 O ATOM 0 H TYR A 39 -1.212 -6.291 0.923 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.887 -6.011 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.500 -6.846 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.807 -5.751 2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.675 -8.220 -0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.434 -7.186 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.288 -10.056 -0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.047 -9.020 3.401 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.765 -10.694 2.152 1.00 0.00 H new ATOM 606 N CYS A 40 -3.835 -3.483 -0.176 1.00 0.00 N ATOM 607 CA CYS A 40 -4.077 -2.048 -0.104 1.00 0.00 C ATOM 608 C CYS A 40 -5.443 -1.735 0.494 1.00 0.00 C ATOM 609 O CYS A 40 -6.350 -2.569 0.484 1.00 0.00 O ATOM 610 CB CYS A 40 -3.958 -1.421 -1.493 1.00 0.00 C ATOM 611 SG CYS A 40 -2.351 -0.663 -1.822 1.00 0.00 S ATOM 0 H CYS A 40 -4.005 -3.894 -1.094 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.320 -1.619 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.147 -2.188 -2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.735 -0.665 -1.607 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.525 0.541 -2.281 1.00 0.00 H new ATOM 617 N ARG A 41 -5.574 -0.520 1.013 1.00 0.00 N ATOM 618 CA ARG A 41 -6.817 -0.069 1.623 1.00 0.00 C ATOM 619 C ARG A 41 -6.682 1.364 2.126 1.00 0.00 C ATOM 620 O ARG A 41 -5.620 1.769 2.593 1.00 0.00 O ATOM 621 CB ARG A 41 -7.201 -0.988 2.780 1.00 0.00 C ATOM 622 CG ARG A 41 -8.296 -1.975 2.423 1.00 0.00 C ATOM 623 CD ARG A 41 -9.507 -1.814 3.326 1.00 0.00 C ATOM 624 NE ARG A 41 -10.302 -0.640 2.970 1.00 0.00 N ATOM 625 CZ ARG A 41 -11.021 0.066 3.842 1.00 0.00 C ATOM 626 NH1 ARG A 41 -11.055 -0.277 5.124 1.00 0.00 N ATOM 627 NH2 ARG A 41 -11.709 1.122 3.427 1.00 0.00 N ATOM 0 H ARG A 41 -4.827 0.175 1.023 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.600 -0.101 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.318 -1.538 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.529 -0.381 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.593 -1.830 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.912 -2.992 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.129 -2.707 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.178 -1.729 4.362 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.307 -0.343 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.528 -1.087 5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.608 0.270 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.686 1.391 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.260 1.665 4.092 1.00 0.00 H new ATOM 641 N LYS A 42 -7.765 2.125 2.035 1.00 0.00 N ATOM 642 CA LYS A 42 -7.763 3.504 2.492 1.00 0.00 C ATOM 643 C LYS A 42 -7.759 3.555 4.015 1.00 0.00 C ATOM 644 O LYS A 42 -8.636 2.989 4.667 1.00 0.00 O ATOM 645 CB LYS A 42 -8.982 4.240 1.940 1.00 0.00 C ATOM 646 CG LYS A 42 -8.720 4.941 0.618 1.00 0.00 C ATOM 647 CD LYS A 42 -9.891 5.821 0.207 1.00 0.00 C ATOM 648 CE LYS A 42 -10.599 5.269 -1.018 1.00 0.00 C ATOM 649 NZ LYS A 42 -11.809 6.065 -1.367 1.00 0.00 N ATOM 0 H LYS A 42 -8.654 1.809 1.649 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.861 3.995 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.798 3.529 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.315 4.976 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.819 5.549 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.533 4.198 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.598 5.897 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.534 6.830 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.911 5.265 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.886 4.233 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.263 5.656 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.477 6.048 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.533 7.048 -1.566 1.00 0.00 H new ATOM 663 N LEU A 43 -6.757 4.226 4.572 1.00 0.00 N ATOM 664 CA LEU A 43 -6.616 4.349 6.022 1.00 0.00 C ATOM 665 C LEU A 43 -7.959 4.632 6.693 1.00 0.00 C ATOM 666 O LEU A 43 -8.351 3.939 7.632 1.00 0.00 O ATOM 667 CB LEU A 43 -5.618 5.457 6.368 1.00 0.00 C ATOM 668 CG LEU A 43 -4.371 5.513 5.483 1.00 0.00 C ATOM 669 CD1 LEU A 43 -3.442 6.615 5.948 1.00 0.00 C ATOM 670 CD2 LEU A 43 -3.648 4.174 5.486 1.00 0.00 C ATOM 0 H LEU A 43 -6.025 4.696 4.039 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.243 3.397 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.130 6.417 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.303 5.329 7.404 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.686 5.730 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.560 6.641 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.959 7.573 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.138 6.424 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.765 4.236 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.346 3.926 6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.315 3.400 5.106 1.00 0.00 H new ATOM 753 N PHE A 50 -10.885 -5.028 1.460 1.00 0.00 N ATOM 754 CA PHE A 50 -9.473 -4.996 1.070 1.00 0.00 C ATOM 755 C PHE A 50 -9.300 -5.268 -0.424 1.00 0.00 C ATOM 756 O PHE A 50 -10.157 -5.886 -1.055 1.00 0.00 O ATOM 757 CB PHE A 50 -8.680 -6.024 1.881 1.00 0.00 C ATOM 758 CG PHE A 50 -7.855 -5.415 2.979 1.00 0.00 C ATOM 759 CD1 PHE A 50 -8.397 -5.213 4.239 1.00 0.00 C ATOM 760 CD2 PHE A 50 -6.539 -5.043 2.752 1.00 0.00 C ATOM 761 CE1 PHE A 50 -7.641 -4.653 5.252 1.00 0.00 C ATOM 762 CE2 PHE A 50 -5.779 -4.482 3.762 1.00 0.00 C ATOM 763 CZ PHE A 50 -6.331 -4.287 5.012 1.00 0.00 C ATOM 0 HA PHE A 50 -9.092 -3.996 1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.373 -6.745 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.024 -6.577 1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.421 -5.496 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.102 -5.193 1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.074 -4.502 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.755 -4.197 3.573 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.739 -3.849 5.802 1.00 0.00 H new ATOM 773 N TYR A 51 -8.189 -4.799 -0.983 1.00 0.00 N ATOM 774 CA TYR A 51 -7.910 -4.990 -2.400 1.00 0.00 C ATOM 775 C TYR A 51 -6.414 -4.907 -2.674 1.00 0.00 C ATOM 776 O TYR A 51 -5.725 -4.027 -2.156 1.00 0.00 O ATOM 777 CB TYR A 51 -8.649 -3.939 -3.233 1.00 0.00 C ATOM 778 CG TYR A 51 -9.969 -4.424 -3.789 1.00 0.00 C ATOM 779 CD1 TYR A 51 -10.071 -5.663 -4.406 1.00 0.00 C ATOM 780 CD2 TYR A 51 -11.112 -3.639 -3.696 1.00 0.00 C ATOM 781 CE1 TYR A 51 -11.275 -6.109 -4.916 1.00 0.00 C ATOM 782 CE2 TYR A 51 -12.320 -4.078 -4.204 1.00 0.00 C ATOM 783 CZ TYR A 51 -12.396 -5.313 -4.813 1.00 0.00 C ATOM 784 OH TYR A 51 -13.598 -5.754 -5.319 1.00 0.00 O ATOM 0 H TYR A 51 -7.469 -4.285 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.261 -5.982 -2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.826 -3.058 -2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.009 -3.627 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.195 -6.289 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.055 -2.671 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.338 -7.076 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.200 -3.457 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.287 -5.075 -5.164 1.00 0.00 H new ATOM 794 N ASN A 52 -5.915 -5.826 -3.492 1.00 0.00 N ATOM 795 CA ASN A 52 -4.499 -5.851 -3.836 1.00 0.00 C ATOM 796 C ASN A 52 -4.083 -4.542 -4.497 1.00 0.00 C ATOM 797 O ASN A 52 -4.792 -4.019 -5.358 1.00 0.00 O ATOM 798 CB ASN A 52 -4.196 -7.026 -4.767 1.00 0.00 C ATOM 799 CG ASN A 52 -2.750 -7.472 -4.681 1.00 0.00 C ATOM 800 OD1 ASN A 52 -1.964 -6.924 -3.907 1.00 0.00 O ATOM 801 ND2 ASN A 52 -2.390 -8.471 -5.477 1.00 0.00 N ATOM 0 H ASN A 52 -6.469 -6.563 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.928 -5.974 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.847 -7.863 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.425 -6.741 -5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.429 -8.814 -5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.074 -8.896 -6.103 1.00 0.00 H new ATOM 808 N SER A 53 -2.933 -4.014 -4.091 1.00 0.00 N ATOM 809 CA SER A 53 -2.428 -2.764 -4.647 1.00 0.00 C ATOM 810 C SER A 53 -2.370 -2.831 -6.170 1.00 0.00 C ATOM 811 O SER A 53 -2.542 -1.822 -6.853 1.00 0.00 O ATOM 812 CB SER A 53 -1.040 -2.453 -4.086 1.00 0.00 C ATOM 813 OG SER A 53 -0.701 -1.093 -4.285 1.00 0.00 O ATOM 0 H SER A 53 -2.334 -4.432 -3.379 1.00 0.00 H new ATOM 0 HA SER A 53 -3.113 -1.966 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.015 -2.685 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.299 -3.090 -4.569 1.00 0.00 H new ATOM 0 HG SER A 53 -1.111 -0.547 -3.582 1.00 0.00 H new ATOM 819 N LYS A 54 -2.134 -4.028 -6.693 1.00 0.00 N ATOM 820 CA LYS A 54 -2.060 -4.230 -8.134 1.00 0.00 C ATOM 821 C LYS A 54 -3.457 -4.260 -8.759 1.00 0.00 C ATOM 822 O LYS A 54 -3.595 -4.301 -9.981 1.00 0.00 O ATOM 823 CB LYS A 54 -1.316 -5.530 -8.449 1.00 0.00 C ATOM 824 CG LYS A 54 0.007 -5.312 -9.165 1.00 0.00 C ATOM 825 CD LYS A 54 0.461 -6.567 -9.897 1.00 0.00 C ATOM 826 CE LYS A 54 1.706 -7.166 -9.260 1.00 0.00 C ATOM 827 NZ LYS A 54 1.755 -8.645 -9.419 1.00 0.00 N ATOM 0 H LYS A 54 -1.991 -4.873 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.512 -3.392 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.133 -6.069 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.953 -6.164 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.094 -4.492 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.768 -5.016 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.342 -7.304 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.665 -6.327 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.594 -6.723 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.728 -6.914 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.684 -8.997 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.009 -9.081 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.607 -8.892 -10.418 1.00 0.00 H new ATOM 841 N ARG A 55 -4.488 -4.235 -7.915 1.00 0.00 N ATOM 842 CA ARG A 55 -5.865 -4.258 -8.396 1.00 0.00 C ATOM 843 C ARG A 55 -6.545 -2.903 -8.199 1.00 0.00 C ATOM 844 O ARG A 55 -7.704 -2.722 -8.572 1.00 0.00 O ATOM 845 CB ARG A 55 -6.661 -5.355 -7.685 1.00 0.00 C ATOM 846 CG ARG A 55 -7.344 -6.323 -8.636 1.00 0.00 C ATOM 847 CD ARG A 55 -8.290 -5.601 -9.582 1.00 0.00 C ATOM 848 NE ARG A 55 -8.581 -6.394 -10.775 1.00 0.00 N ATOM 849 CZ ARG A 55 -9.260 -5.935 -11.823 1.00 0.00 C ATOM 850 NH1 ARG A 55 -9.723 -4.691 -11.831 1.00 0.00 N ATOM 851 NH2 ARG A 55 -9.477 -6.723 -12.868 1.00 0.00 N ATOM 0 H ARG A 55 -4.395 -4.199 -6.900 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.841 -4.473 -9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.991 -5.913 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.415 -4.891 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.591 -6.860 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.898 -7.067 -8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.220 -5.374 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.850 -4.649 -9.878 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.244 -7.356 -10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.559 -4.081 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.243 -4.345 -12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.123 -7.680 -12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.997 -6.372 -13.672 1.00 0.00 H new ATOM 865 N ILE A 56 -5.818 -1.957 -7.616 1.00 0.00 N ATOM 866 CA ILE A 56 -6.349 -0.623 -7.378 1.00 0.00 C ATOM 867 C ILE A 56 -5.762 0.374 -8.371 1.00 0.00 C ATOM 868 O ILE A 56 -4.638 0.205 -8.842 1.00 0.00 O ATOM 869 CB ILE A 56 -6.050 -0.151 -5.943 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.643 -1.133 -4.933 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.598 1.253 -5.713 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.490 -0.686 -3.497 1.00 0.00 C ATOM 0 H ILE A 56 -4.858 -2.091 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.430 -0.673 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.969 -0.119 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.702 -1.272 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.162 -2.104 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.376 1.568 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.133 1.945 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.677 1.252 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.933 -1.430 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.432 -0.575 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.995 0.270 -3.358 1.00 0.00 H new ATOM 884 N ASP A 57 -6.529 1.410 -8.687 1.00 0.00 N ATOM 885 CA ASP A 57 -6.082 2.429 -9.628 1.00 0.00 C ATOM 886 C ASP A 57 -5.993 3.793 -8.953 1.00 0.00 C ATOM 887 O ASP A 57 -6.920 4.599 -9.035 1.00 0.00 O ATOM 888 CB ASP A 57 -7.034 2.499 -10.822 1.00 0.00 C ATOM 889 CG ASP A 57 -6.392 3.139 -12.036 1.00 0.00 C ATOM 890 OD1 ASP A 57 -5.401 3.881 -11.862 1.00 0.00 O ATOM 891 OD2 ASP A 57 -6.880 2.902 -13.161 1.00 0.00 O ATOM 0 H ASP A 57 -7.462 1.567 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.087 2.154 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.366 1.493 -11.078 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.922 3.066 -10.543 1.00 0.00 H new ATOM 896 N PHE A 58 -4.870 4.047 -8.289 1.00 0.00 N ATOM 897 CA PHE A 58 -4.660 5.317 -7.603 1.00 0.00 C ATOM 898 C PHE A 58 -4.740 6.485 -8.582 1.00 0.00 C ATOM 899 O PHE A 58 -5.055 7.610 -8.197 1.00 0.00 O ATOM 900 CB PHE A 58 -3.302 5.326 -6.898 1.00 0.00 C ATOM 901 CG PHE A 58 -2.997 4.058 -6.151 1.00 0.00 C ATOM 902 CD1 PHE A 58 -3.532 3.833 -4.893 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.169 3.095 -6.705 1.00 0.00 C ATOM 904 CE1 PHE A 58 -3.248 2.669 -4.202 1.00 0.00 C ATOM 905 CE2 PHE A 58 -1.880 1.931 -6.019 1.00 0.00 C ATOM 906 CZ PHE A 58 -2.422 1.717 -4.766 1.00 0.00 C ATOM 0 H PHE A 58 -4.092 3.391 -8.211 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.449 5.431 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.520 5.498 -7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.271 6.164 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.178 4.575 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.744 3.256 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.672 2.505 -3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.231 1.189 -6.461 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.200 0.807 -4.229 1.00 0.00 H new ATOM 916 N ASP A 59 -4.452 6.206 -9.848 1.00 0.00 N ATOM 917 CA ASP A 59 -4.489 7.230 -10.887 1.00 0.00 C ATOM 918 C ASP A 59 -5.865 7.886 -10.967 1.00 0.00 C ATOM 919 O ASP A 59 -6.000 9.006 -11.458 1.00 0.00 O ATOM 920 CB ASP A 59 -4.122 6.623 -12.243 1.00 0.00 C ATOM 921 CG ASP A 59 -3.659 7.670 -13.238 1.00 0.00 C ATOM 922 OD1 ASP A 59 -4.497 8.486 -13.674 1.00 0.00 O ATOM 923 OD2 ASP A 59 -2.457 7.674 -13.578 1.00 0.00 O ATOM 0 H ASP A 59 -4.190 5.278 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.759 7.997 -10.627 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.334 5.883 -12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.986 6.097 -12.649 1.00 0.00 H new ATOM 928 N LEU A 60 -6.884 7.182 -10.482 1.00 0.00 N ATOM 929 CA LEU A 60 -8.244 7.699 -10.500 1.00 0.00 C ATOM 930 C LEU A 60 -8.603 8.339 -9.163 1.00 0.00 C ATOM 931 O LEU A 60 -9.767 8.353 -8.762 1.00 0.00 O ATOM 932 CB LEU A 60 -9.238 6.581 -10.828 1.00 0.00 C ATOM 933 CG LEU A 60 -8.751 5.557 -11.854 1.00 0.00 C ATOM 934 CD1 LEU A 60 -9.856 4.565 -12.183 1.00 0.00 C ATOM 935 CD2 LEU A 60 -8.266 6.255 -13.117 1.00 0.00 C ATOM 0 H LEU A 60 -6.791 6.253 -10.072 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.302 8.463 -11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.488 6.057 -9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.159 7.032 -11.198 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.914 5.009 -11.422 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.492 3.844 -12.915 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.157 4.041 -11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.713 5.098 -12.595 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.923 5.510 -13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.084 6.830 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.443 6.925 -12.869 1.00 0.00 H new ATOM 1067 N PRO B 68 9.926 0.896 1.973 1.00 0.01 N ATOM 1068 CA PRO B 68 8.613 0.567 2.543 1.00 0.00 C ATOM 1069 C PRO B 68 8.727 -0.267 3.818 1.00 0.01 C ATOM 1070 O PRO B 68 9.594 -1.136 3.924 1.00 0.00 O ATOM 1071 CB PRO B 68 7.930 -0.247 1.438 1.00 0.01 C ATOM 1072 CG PRO B 68 8.644 0.125 0.186 1.00 0.01 C ATOM 1073 CD PRO B 68 10.063 0.404 0.590 1.00 0.00 C ATOM 0 HA PRO B 68 8.063 1.463 2.831 1.00 0.00 H new ATOM 0 HB2 PRO B 68 8.006 -1.317 1.632 1.00 0.01 H new ATOM 0 HB3 PRO B 68 6.868 -0.009 1.372 1.00 0.01 H new ATOM 0 HG2 PRO B 68 8.597 -0.682 -0.545 1.00 0.01 H new ATOM 0 HG3 PRO B 68 8.190 1.001 -0.277 1.00 0.01 H new ATOM 0 HD2 PRO B 68 10.680 -0.493 0.541 1.00 0.00 H new ATOM 0 HD3 PRO B 68 10.528 1.147 -0.058 1.00 0.00 H new ATOM 1081 N PRO B 69 7.849 -0.017 4.807 1.00 0.01 N ATOM 1082 CA PRO B 69 7.857 -0.756 6.073 1.00 0.01 C ATOM 1083 C PRO B 69 7.656 -2.251 5.873 1.00 0.01 C ATOM 1084 O PRO B 69 7.544 -2.732 4.746 1.00 0.01 O ATOM 1085 CB PRO B 69 6.678 -0.171 6.861 1.00 0.01 C ATOM 1086 CG PRO B 69 5.850 0.564 5.860 1.00 0.00 C ATOM 1087 CD PRO B 69 6.783 0.995 4.765 1.00 0.01 C ATOM 0 HA PRO B 69 8.815 -0.653 6.582 1.00 0.01 H new ATOM 0 HB2 PRO B 69 6.100 -0.959 7.344 1.00 0.01 H new ATOM 0 HB3 PRO B 69 7.026 0.498 7.648 1.00 0.01 H new ATOM 0 HG2 PRO B 69 5.060 -0.075 5.466 1.00 0.00 H new ATOM 0 HG3 PRO B 69 5.364 1.426 6.317 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.284 1.013 3.796 1.00 0.01 H new ATOM 0 HD3 PRO B 69 7.173 1.997 4.941 1.00 0.01 H new ATOM 1095 N GLY B 70 7.605 -2.977 6.981 1.00 0.44 N ATOM 1096 CA GLY B 70 7.410 -4.412 6.922 1.00 0.65 C ATOM 1097 C GLY B 70 8.690 -5.161 6.619 1.00 0.50 C ATOM 1098 O GLY B 70 9.320 -5.712 7.520 1.00 0.56 O ATOM 0 H GLY B 70 7.696 -2.596 7.923 1.00 0.44 H new ATOM 0 HA2 GLY B 70 7.006 -4.760 7.873 1.00 0.65 H new ATOM 0 HA3 GLY B 70 6.668 -4.643 6.157 1.00 0.65 H new