USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 532 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 43 TYR OH : rot 147:sc= -0.288 USER MOD Set 1.2: A 45 ASN :FLIP amide:sc= -0.359 F(o=-3.7!,f=-0.65) USER MOD Set 2.1: A 25 THR OG1 : rot 132:sc= -0.522 USER MOD Set 2.2: A 62 HIS : +bothHN:sc= 1.36 K(o=0.84,f=-7.8!) USER MOD Set 3.1: A 4 TYR OH : rot 29:sc= 1.24 USER MOD Set 3.2: A 70 ASN : amide:sc= 1.47 K(o=2.7,f=-5.7!) USER MOD Single : A 8 THR OG1 : rot -104:sc= -0.926! USER MOD Single : A 12 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.4) USER MOD Single : A 20 SER OG : rot -170:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 THR OG1 : rot -54:sc= 0.774 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.174 F(o=-3!,f=-0.17) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00761 USER MOD Single : A 51 MET CE :methyl -146:sc= -0.0799 (180deg=-0.971) USER MOD Single : A 73 TYR OH : rot -104:sc= 0.00214 USER MOD Single : A 76 ASN :FLIP amide:sc= -5.58! C(o=-12!,f=-5.6!) USER MOD Single : A 77 TYR OH : rot -91:sc= 0.0454 USER MOD ----------------------------------------------------------------- ATOM 46 N TYR A 4 4.720 -7.016 -6.029 1.00 0.73 N ATOM 47 CA TYR A 4 4.077 -5.786 -6.384 1.00 0.56 C ATOM 48 C TYR A 4 2.897 -5.602 -5.456 1.00 0.48 C ATOM 49 O TYR A 4 2.487 -6.546 -4.786 1.00 0.54 O ATOM 50 CB TYR A 4 3.640 -5.824 -7.853 1.00 0.66 C ATOM 51 CG TYR A 4 2.451 -6.713 -8.114 1.00 0.57 C ATOM 52 CD1 TYR A 4 1.178 -6.245 -7.861 1.00 0.51 C ATOM 53 CD2 TYR A 4 2.594 -8.001 -8.609 1.00 0.78 C ATOM 54 CE1 TYR A 4 0.072 -7.023 -8.079 1.00 0.60 C ATOM 55 CE2 TYR A 4 1.486 -8.797 -8.836 1.00 1.00 C ATOM 56 CZ TYR A 4 0.226 -8.303 -8.568 1.00 0.90 C ATOM 57 OH TYR A 4 -0.880 -9.095 -8.776 1.00 1.17 O ATOM 0 HA TYR A 4 4.759 -4.943 -6.277 1.00 0.56 H new ATOM 0 HB2 TYR A 4 3.402 -4.811 -8.177 1.00 0.66 H new ATOM 0 HB3 TYR A 4 4.477 -6.165 -8.462 1.00 0.66 H new ATOM 0 HD1 TYR A 4 1.051 -5.242 -7.482 1.00 0.51 H new ATOM 0 HD2 TYR A 4 3.581 -8.386 -8.819 1.00 0.78 H new ATOM 0 HE1 TYR A 4 -0.914 -6.636 -7.869 1.00 0.60 H new ATOM 0 HE2 TYR A 4 1.606 -9.799 -9.221 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.653 -8.529 -8.983 1.00 1.17 H new ATOM 67 N ILE A 5 2.336 -4.418 -5.438 1.00 0.41 N ATOM 68 CA ILE A 5 1.292 -4.099 -4.498 1.00 0.37 C ATOM 69 C ILE A 5 0.032 -3.680 -5.224 1.00 0.31 C ATOM 70 O ILE A 5 0.070 -3.356 -6.414 1.00 0.33 O ATOM 71 CB ILE A 5 1.695 -2.977 -3.541 1.00 0.42 C ATOM 72 CG1 ILE A 5 1.758 -1.640 -4.295 1.00 0.49 C ATOM 73 CG2 ILE A 5 3.026 -3.289 -2.871 1.00 0.51 C ATOM 74 CD1 ILE A 5 2.078 -0.443 -3.430 1.00 1.00 C ATOM 0 H ILE A 5 2.587 -3.656 -6.068 1.00 0.41 H new ATOM 0 HA ILE A 5 1.113 -5.004 -3.918 1.00 0.37 H new ATOM 0 HB ILE A 5 0.941 -2.898 -2.758 1.00 0.42 H new ATOM 0 HG12 ILE A 5 2.511 -1.716 -5.080 1.00 0.49 H new ATOM 0 HG13 ILE A 5 0.800 -1.470 -4.787 1.00 0.49 H new ATOM 0 HG21 ILE A 5 3.292 -2.477 -2.195 1.00 0.51 H new ATOM 0 HG22 ILE A 5 2.940 -4.218 -2.307 1.00 0.51 H new ATOM 0 HG23 ILE A 5 3.800 -3.396 -3.631 1.00 0.51 H new ATOM 0 HD11 ILE A 5 2.102 0.456 -4.047 1.00 1.00 H new ATOM 0 HD12 ILE A 5 1.313 -0.335 -2.661 1.00 1.00 H new ATOM 0 HD13 ILE A 5 3.050 -0.585 -2.958 1.00 1.00 H new ATOM 86 N ARG A 6 -1.089 -3.707 -4.528 1.00 0.30 N ATOM 87 CA ARG A 6 -2.318 -3.253 -5.105 1.00 0.32 C ATOM 88 C ARG A 6 -2.824 -2.072 -4.272 1.00 0.31 C ATOM 89 O ARG A 6 -2.842 -2.127 -3.055 1.00 0.31 O ATOM 90 CB ARG A 6 -3.290 -4.441 -5.095 1.00 0.39 C ATOM 91 CG ARG A 6 -4.736 -4.074 -4.863 1.00 0.81 C ATOM 92 CD ARG A 6 -5.433 -3.601 -6.112 1.00 0.61 C ATOM 93 NE ARG A 6 -5.454 -4.627 -7.153 1.00 1.13 N ATOM 94 CZ ARG A 6 -6.562 -5.220 -7.608 1.00 1.78 C ATOM 95 NH1 ARG A 6 -7.739 -4.938 -7.067 1.00 2.03 N ATOM 96 NH2 ARG A 6 -6.491 -6.110 -8.591 1.00 2.73 N ATOM 0 H ARG A 6 -1.163 -4.039 -3.566 1.00 0.30 H new ATOM 0 HA ARG A 6 -2.205 -2.908 -6.133 1.00 0.32 H new ATOM 0 HB2 ARG A 6 -3.211 -4.965 -6.048 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -2.978 -5.141 -4.320 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -5.265 -4.940 -4.465 1.00 0.81 H new ATOM 0 HG3 ARG A 6 -4.789 -3.292 -4.106 1.00 0.81 H new ATOM 0 HD2 ARG A 6 -6.455 -3.312 -5.868 1.00 0.61 H new ATOM 0 HD3 ARG A 6 -4.931 -2.711 -6.491 1.00 0.61 H new ATOM 0 HE ARG A 6 -4.562 -4.910 -7.560 1.00 1.13 H new ATOM 0 HH11 ARG A 6 -7.801 -4.267 -6.301 1.00 2.03 H new ATOM 0 HH12 ARG A 6 -8.583 -5.392 -7.416 1.00 2.03 H new ATOM 0 HH21 ARG A 6 -5.588 -6.344 -9.003 1.00 2.73 H new ATOM 0 HH22 ARG A 6 -7.340 -6.559 -8.934 1.00 2.73 H new ATOM 110 N VAL A 7 -3.206 -0.988 -4.911 1.00 0.34 N ATOM 111 CA VAL A 7 -3.679 0.171 -4.172 1.00 0.38 C ATOM 112 C VAL A 7 -4.862 0.803 -4.867 1.00 0.38 C ATOM 113 O VAL A 7 -5.004 0.681 -6.071 1.00 0.41 O ATOM 114 CB VAL A 7 -2.547 1.210 -3.958 1.00 0.45 C ATOM 115 CG1 VAL A 7 -1.720 1.395 -5.218 1.00 1.21 C ATOM 116 CG2 VAL A 7 -3.087 2.552 -3.476 1.00 1.45 C ATOM 0 H VAL A 7 -3.201 -0.881 -5.925 1.00 0.34 H new ATOM 0 HA VAL A 7 -4.001 -0.173 -3.189 1.00 0.38 H new ATOM 0 HB VAL A 7 -1.900 0.811 -3.176 1.00 0.45 H new ATOM 0 HG11 VAL A 7 -0.936 2.129 -5.034 1.00 1.21 H new ATOM 0 HG12 VAL A 7 -1.268 0.444 -5.499 1.00 1.21 H new ATOM 0 HG13 VAL A 7 -2.362 1.745 -6.026 1.00 1.21 H new ATOM 0 HG21 VAL A 7 -2.260 3.249 -3.339 1.00 1.45 H new ATOM 0 HG22 VAL A 7 -3.780 2.952 -4.216 1.00 1.45 H new ATOM 0 HG23 VAL A 7 -3.607 2.416 -2.528 1.00 1.45 H new ATOM 126 N THR A 8 -5.770 1.357 -4.098 1.00 0.39 N ATOM 127 CA THR A 8 -6.772 2.242 -4.638 1.00 0.40 C ATOM 128 C THR A 8 -7.226 3.237 -3.581 1.00 0.42 C ATOM 129 O THR A 8 -7.211 2.918 -2.394 1.00 0.56 O ATOM 130 CB THR A 8 -7.941 1.468 -5.235 1.00 0.43 C ATOM 131 OG1 THR A 8 -8.993 2.353 -5.610 1.00 0.49 O ATOM 132 CG2 THR A 8 -8.445 0.409 -4.286 1.00 0.47 C ATOM 0 H THR A 8 -5.834 1.208 -3.091 1.00 0.39 H new ATOM 0 HA THR A 8 -6.325 2.806 -5.456 1.00 0.40 H new ATOM 0 HB THR A 8 -7.580 0.963 -6.131 1.00 0.43 H new ATOM 0 HG1 THR A 8 -9.716 2.299 -4.951 1.00 0.49 H new ATOM 0 HG21 THR A 8 -9.279 -0.123 -4.744 1.00 0.47 H new ATOM 0 HG22 THR A 8 -7.642 -0.295 -4.066 1.00 0.47 H new ATOM 0 HG23 THR A 8 -8.779 0.879 -3.361 1.00 0.47 H new ATOM 140 N GLU A 9 -7.608 4.436 -3.985 1.00 0.35 N ATOM 141 CA GLU A 9 -7.966 5.460 -3.022 1.00 0.30 C ATOM 142 C GLU A 9 -9.148 5.032 -2.162 1.00 0.29 C ATOM 143 O GLU A 9 -9.197 5.310 -0.960 1.00 0.41 O ATOM 144 CB GLU A 9 -8.227 6.783 -3.698 1.00 0.31 C ATOM 145 CG GLU A 9 -6.958 7.404 -4.261 1.00 1.13 C ATOM 146 CD GLU A 9 -6.475 6.739 -5.541 1.00 2.20 C ATOM 147 OE1 GLU A 9 -7.290 6.073 -6.214 1.00 2.55 O ATOM 148 OE2 GLU A 9 -5.285 6.895 -5.894 1.00 2.97 O ATOM 0 H GLU A 9 -7.678 4.722 -4.962 1.00 0.35 H new ATOM 0 HA GLU A 9 -7.113 5.593 -2.357 1.00 0.30 H new ATOM 0 HB2 GLU A 9 -8.948 6.641 -4.503 1.00 0.31 H new ATOM 0 HB3 GLU A 9 -8.679 7.471 -2.983 1.00 0.31 H new ATOM 0 HG2 GLU A 9 -7.135 8.462 -4.455 1.00 1.13 H new ATOM 0 HG3 GLU A 9 -6.170 7.345 -3.510 1.00 1.13 H new ATOM 155 N ASP A 10 -10.068 4.323 -2.778 1.00 0.32 N ATOM 156 CA ASP A 10 -11.192 3.744 -2.090 1.00 0.36 C ATOM 157 C ASP A 10 -11.232 2.295 -2.461 1.00 0.33 C ATOM 158 O ASP A 10 -10.806 1.926 -3.544 1.00 0.33 O ATOM 159 CB ASP A 10 -12.521 4.358 -2.486 1.00 0.48 C ATOM 160 CG ASP A 10 -13.538 4.336 -1.365 1.00 0.84 C ATOM 161 OD1 ASP A 10 -14.076 5.412 -1.022 1.00 1.14 O ATOM 162 OD2 ASP A 10 -13.776 3.252 -0.796 1.00 1.11 O ATOM 0 H ASP A 10 -10.053 4.133 -3.780 1.00 0.32 H new ATOM 0 HA ASP A 10 -11.060 3.919 -1.022 1.00 0.36 H new ATOM 0 HB2 ASP A 10 -12.359 5.388 -2.803 1.00 0.48 H new ATOM 0 HB3 ASP A 10 -12.923 3.820 -3.345 1.00 0.48 H new ATOM 167 N GLU A 11 -11.783 1.502 -1.595 1.00 0.38 N ATOM 168 CA GLU A 11 -11.803 0.052 -1.775 1.00 0.40 C ATOM 169 C GLU A 11 -12.476 -0.270 -3.092 1.00 0.47 C ATOM 170 O GLU A 11 -12.163 -1.263 -3.755 1.00 0.60 O ATOM 171 CB GLU A 11 -12.586 -0.617 -0.653 1.00 0.50 C ATOM 172 CG GLU A 11 -12.085 -0.295 0.737 1.00 0.69 C ATOM 173 CD GLU A 11 -13.177 -0.430 1.774 1.00 1.05 C ATOM 174 OE1 GLU A 11 -13.363 0.512 2.570 1.00 1.48 O ATOM 175 OE2 GLU A 11 -13.877 -1.467 1.774 1.00 1.37 O ATOM 0 H GLU A 11 -12.235 1.824 -0.739 1.00 0.38 H new ATOM 0 HA GLU A 11 -10.778 -0.317 -1.764 1.00 0.40 H new ATOM 0 HB2 GLU A 11 -13.631 -0.318 -0.728 1.00 0.50 H new ATOM 0 HB3 GLU A 11 -12.553 -1.697 -0.797 1.00 0.50 H new ATOM 0 HG2 GLU A 11 -11.260 -0.961 0.989 1.00 0.69 H new ATOM 0 HG3 GLU A 11 -11.691 0.721 0.755 1.00 0.69 H new ATOM 182 N ASN A 12 -13.405 0.597 -3.456 1.00 0.49 N ATOM 183 CA ASN A 12 -14.136 0.456 -4.692 1.00 0.60 C ATOM 184 C ASN A 12 -13.917 1.670 -5.600 1.00 0.48 C ATOM 185 O ASN A 12 -14.809 2.056 -6.351 1.00 0.52 O ATOM 186 CB ASN A 12 -15.615 0.244 -4.403 1.00 0.81 C ATOM 187 CG ASN A 12 -16.413 -0.162 -5.613 1.00 1.46 C ATOM 188 OD1 ASN A 12 -15.875 -0.696 -6.585 1.00 2.00 O ATOM 189 ND2 ASN A 12 -17.710 0.042 -5.541 1.00 2.02 N ATOM 0 H ASN A 12 -13.669 1.412 -2.903 1.00 0.49 H new ATOM 0 HA ASN A 12 -13.760 -0.420 -5.221 1.00 0.60 H new ATOM 0 HB2 ASN A 12 -15.720 -0.522 -3.635 1.00 0.81 H new ATOM 0 HB3 ASN A 12 -16.033 1.164 -3.995 1.00 0.81 H new ATOM 0 HD21 ASN A 12 -18.315 -0.246 -6.310 1.00 2.02 H new ATOM 0 HD22 ASN A 12 -18.111 0.488 -4.716 1.00 2.02 H new ATOM 196 N ASP A 13 -12.735 2.297 -5.534 1.00 0.40 N ATOM 197 CA ASP A 13 -12.391 3.285 -6.554 1.00 0.37 C ATOM 198 C ASP A 13 -11.919 2.525 -7.774 1.00 0.47 C ATOM 199 O ASP A 13 -12.659 1.726 -8.353 1.00 0.59 O ATOM 200 CB ASP A 13 -11.277 4.263 -6.122 1.00 0.34 C ATOM 201 CG ASP A 13 -11.364 5.590 -6.852 1.00 0.39 C ATOM 202 OD1 ASP A 13 -11.949 6.541 -6.294 1.00 0.44 O ATOM 203 OD2 ASP A 13 -10.845 5.686 -7.985 1.00 0.52 O ATOM 0 H ASP A 13 -12.029 2.144 -4.814 1.00 0.40 H new ATOM 0 HA ASP A 13 -13.277 3.890 -6.744 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -11.344 4.436 -5.048 1.00 0.34 H new ATOM 0 HB3 ASP A 13 -10.304 3.809 -6.311 1.00 0.34 H new ATOM 208 N GLU A 14 -10.681 2.753 -8.143 1.00 0.47 N ATOM 209 CA GLU A 14 -10.021 1.922 -9.130 1.00 0.56 C ATOM 210 C GLU A 14 -8.779 1.281 -8.525 1.00 0.50 C ATOM 211 O GLU A 14 -7.704 1.881 -8.532 1.00 0.50 O ATOM 212 CB GLU A 14 -9.636 2.748 -10.348 1.00 0.68 C ATOM 213 CG GLU A 14 -9.376 1.896 -11.581 1.00 1.12 C ATOM 214 CD GLU A 14 -8.848 2.690 -12.757 1.00 1.38 C ATOM 215 OE1 GLU A 14 -9.657 3.323 -13.462 1.00 2.18 O ATOM 216 OE2 GLU A 14 -7.620 2.702 -12.969 1.00 1.73 O ATOM 0 H GLU A 14 -10.105 3.510 -7.774 1.00 0.47 H new ATOM 0 HA GLU A 14 -10.712 1.139 -9.443 1.00 0.56 H new ATOM 0 HB2 GLU A 14 -10.433 3.459 -10.565 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -8.743 3.330 -10.119 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -8.660 1.114 -11.329 1.00 1.12 H new ATOM 0 HG3 GLU A 14 -10.301 1.400 -11.873 1.00 1.12 H new ATOM 223 N PRO A 15 -8.908 0.070 -7.961 1.00 0.50 N ATOM 224 CA PRO A 15 -7.769 -0.656 -7.409 1.00 0.45 C ATOM 225 C PRO A 15 -6.854 -1.174 -8.504 1.00 0.43 C ATOM 226 O PRO A 15 -7.303 -1.766 -9.487 1.00 0.52 O ATOM 227 CB PRO A 15 -8.413 -1.799 -6.646 1.00 0.50 C ATOM 228 CG PRO A 15 -9.672 -2.022 -7.347 1.00 0.57 C ATOM 229 CD PRO A 15 -10.160 -0.674 -7.793 1.00 0.58 C ATOM 0 HA PRO A 15 -7.136 -0.029 -6.782 1.00 0.45 H new ATOM 0 HB2 PRO A 15 -7.786 -2.690 -6.657 1.00 0.50 H new ATOM 0 HB3 PRO A 15 -8.578 -1.539 -5.601 1.00 0.50 H new ATOM 0 HG2 PRO A 15 -9.528 -2.684 -8.201 1.00 0.57 H new ATOM 0 HG3 PRO A 15 -10.400 -2.501 -6.692 1.00 0.57 H new ATOM 0 HD2 PRO A 15 -10.726 -0.733 -8.723 1.00 0.58 H new ATOM 0 HD3 PRO A 15 -10.812 -0.212 -7.052 1.00 0.58 H new ATOM 237 N ILE A 16 -5.574 -0.961 -8.316 1.00 0.36 N ATOM 238 CA ILE A 16 -4.600 -1.207 -9.348 1.00 0.36 C ATOM 239 C ILE A 16 -3.474 -2.075 -8.831 1.00 0.31 C ATOM 240 O ILE A 16 -3.097 -1.985 -7.663 1.00 0.37 O ATOM 241 CB ILE A 16 -4.028 0.119 -9.863 1.00 0.42 C ATOM 242 CG1 ILE A 16 -3.560 0.974 -8.674 1.00 0.41 C ATOM 243 CG2 ILE A 16 -5.067 0.839 -10.702 1.00 0.51 C ATOM 244 CD1 ILE A 16 -4.397 2.216 -8.418 1.00 0.45 C ATOM 0 H ILE A 16 -5.180 -0.612 -7.442 1.00 0.36 H new ATOM 0 HA ILE A 16 -5.099 -1.729 -10.165 1.00 0.36 H new ATOM 0 HB ILE A 16 -3.164 -0.071 -10.500 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -3.566 0.357 -7.776 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -2.527 1.277 -8.846 1.00 0.41 H new ATOM 0 HG21 ILE A 16 -4.653 1.780 -11.064 1.00 0.51 H new ATOM 0 HG22 ILE A 16 -5.346 0.214 -11.551 1.00 0.51 H new ATOM 0 HG23 ILE A 16 -5.949 1.040 -10.094 1.00 0.51 H new ATOM 0 HD11 ILE A 16 -3.993 2.757 -7.562 1.00 0.45 H new ATOM 0 HD12 ILE A 16 -4.372 2.859 -9.298 1.00 0.45 H new ATOM 0 HD13 ILE A 16 -5.427 1.924 -8.211 1.00 0.45 H new ATOM 256 N GLU A 17 -2.960 -2.923 -9.689 1.00 0.34 N ATOM 257 CA GLU A 17 -1.781 -3.706 -9.371 1.00 0.34 C ATOM 258 C GLU A 17 -0.542 -3.045 -9.952 1.00 0.36 C ATOM 259 O GLU A 17 -0.442 -2.834 -11.158 1.00 0.45 O ATOM 260 CB GLU A 17 -1.924 -5.111 -9.905 1.00 0.43 C ATOM 261 CG GLU A 17 -3.087 -5.852 -9.279 1.00 0.53 C ATOM 262 CD GLU A 17 -3.524 -7.051 -10.087 1.00 0.98 C ATOM 263 OE1 GLU A 17 -4.647 -7.036 -10.623 1.00 1.62 O ATOM 264 OE2 GLU A 17 -2.732 -8.011 -10.199 1.00 1.35 O ATOM 0 H GLU A 17 -3.340 -3.092 -10.620 1.00 0.34 H new ATOM 0 HA GLU A 17 -1.676 -3.756 -8.287 1.00 0.34 H new ATOM 0 HB2 GLU A 17 -2.060 -5.074 -10.986 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -1.003 -5.663 -9.719 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -2.807 -6.178 -8.277 1.00 0.53 H new ATOM 0 HG3 GLU A 17 -3.929 -5.169 -9.168 1.00 0.53 H new ATOM 271 N ILE A 18 0.401 -2.732 -9.087 1.00 0.32 N ATOM 272 CA ILE A 18 1.577 -1.958 -9.480 1.00 0.39 C ATOM 273 C ILE A 18 2.834 -2.470 -8.786 1.00 0.36 C ATOM 274 O ILE A 18 2.789 -2.876 -7.624 1.00 0.35 O ATOM 275 CB ILE A 18 1.419 -0.449 -9.171 1.00 0.47 C ATOM 276 CG1 ILE A 18 1.112 -0.228 -7.688 1.00 1.18 C ATOM 277 CG2 ILE A 18 0.340 0.175 -10.048 1.00 1.37 C ATOM 278 CD1 ILE A 18 1.124 1.228 -7.282 1.00 1.52 C ATOM 0 H ILE A 18 0.382 -2.999 -8.103 1.00 0.32 H new ATOM 0 HA ILE A 18 1.673 -2.085 -10.558 1.00 0.39 H new ATOM 0 HB ILE A 18 2.364 0.044 -9.398 1.00 0.47 H new ATOM 0 HG12 ILE A 18 0.134 -0.653 -7.460 1.00 1.18 H new ATOM 0 HG13 ILE A 18 1.843 -0.771 -7.089 1.00 1.18 H new ATOM 0 HG21 ILE A 18 0.248 1.235 -9.812 1.00 1.37 H new ATOM 0 HG22 ILE A 18 0.612 0.059 -11.097 1.00 1.37 H new ATOM 0 HG23 ILE A 18 -0.612 -0.322 -9.863 1.00 1.37 H new ATOM 0 HD11 ILE A 18 0.899 1.311 -6.219 1.00 1.52 H new ATOM 0 HD12 ILE A 18 2.109 1.652 -7.479 1.00 1.52 H new ATOM 0 HD13 ILE A 18 0.373 1.772 -7.856 1.00 1.52 H new ATOM 290 N PRO A 19 3.974 -2.456 -9.493 1.00 0.39 N ATOM 291 CA PRO A 19 5.267 -2.865 -8.938 1.00 0.39 C ATOM 292 C PRO A 19 5.826 -1.844 -7.951 1.00 0.36 C ATOM 293 O PRO A 19 5.421 -0.681 -7.941 1.00 0.44 O ATOM 294 CB PRO A 19 6.185 -2.971 -10.166 1.00 0.48 C ATOM 295 CG PRO A 19 5.291 -2.840 -11.354 1.00 0.67 C ATOM 296 CD PRO A 19 4.100 -2.051 -10.896 1.00 0.47 C ATOM 0 HA PRO A 19 5.181 -3.795 -8.376 1.00 0.39 H new ATOM 0 HB2 PRO A 19 6.942 -2.186 -10.158 1.00 0.48 H new ATOM 0 HB3 PRO A 19 6.714 -3.924 -10.178 1.00 0.48 H new ATOM 0 HG2 PRO A 19 5.803 -2.333 -12.172 1.00 0.67 H new ATOM 0 HG3 PRO A 19 4.990 -3.820 -11.725 1.00 0.67 H new ATOM 0 HD2 PRO A 19 4.261 -0.978 -10.996 1.00 0.47 H new ATOM 0 HD3 PRO A 19 3.206 -2.294 -11.471 1.00 0.47 H new ATOM 304 N SER A 20 6.747 -2.293 -7.115 1.00 0.39 N ATOM 305 CA SER A 20 7.392 -1.436 -6.133 1.00 0.39 C ATOM 306 C SER A 20 8.904 -1.640 -6.175 1.00 0.38 C ATOM 307 O SER A 20 9.385 -2.545 -6.866 1.00 0.40 O ATOM 308 CB SER A 20 6.844 -1.733 -4.741 1.00 0.44 C ATOM 309 OG SER A 20 5.438 -1.563 -4.712 1.00 0.97 O ATOM 0 H SER A 20 7.069 -3.261 -7.097 1.00 0.39 H new ATOM 0 HA SER A 20 7.179 -0.394 -6.371 1.00 0.39 H new ATOM 0 HB2 SER A 20 7.098 -2.753 -4.454 1.00 0.44 H new ATOM 0 HB3 SER A 20 7.311 -1.071 -4.012 1.00 0.44 H new ATOM 0 HG SER A 20 5.123 -1.602 -3.785 1.00 0.97 H new ATOM 315 N GLU A 21 9.655 -0.805 -5.455 1.00 0.41 N ATOM 316 CA GLU A 21 11.110 -0.907 -5.456 1.00 0.48 C ATOM 317 C GLU A 21 11.517 -2.232 -4.856 1.00 0.49 C ATOM 318 O GLU A 21 10.898 -2.706 -3.907 1.00 0.45 O ATOM 319 CB GLU A 21 11.725 0.258 -4.690 1.00 0.53 C ATOM 320 CG GLU A 21 13.221 0.422 -4.893 1.00 1.47 C ATOM 321 CD GLU A 21 13.744 1.704 -4.280 1.00 1.91 C ATOM 322 OE1 GLU A 21 14.363 1.636 -3.201 1.00 2.77 O ATOM 323 OE2 GLU A 21 13.541 2.785 -4.875 1.00 2.00 O ATOM 0 H GLU A 21 9.281 -0.058 -4.870 1.00 0.41 H new ATOM 0 HA GLU A 21 11.479 -0.858 -6.480 1.00 0.48 H new ATOM 0 HB2 GLU A 21 11.227 1.179 -4.992 1.00 0.53 H new ATOM 0 HB3 GLU A 21 11.528 0.123 -3.627 1.00 0.53 H new ATOM 0 HG2 GLU A 21 13.741 -0.428 -4.452 1.00 1.47 H new ATOM 0 HG3 GLU A 21 13.444 0.414 -5.960 1.00 1.47 H new ATOM 330 N ASP A 22 12.561 -2.812 -5.439 1.00 0.61 N ATOM 331 CA ASP A 22 12.980 -4.192 -5.183 1.00 0.70 C ATOM 332 C ASP A 22 13.195 -4.454 -3.706 1.00 0.72 C ATOM 333 O ASP A 22 13.098 -5.592 -3.242 1.00 0.81 O ATOM 334 CB ASP A 22 14.294 -4.443 -5.887 1.00 0.87 C ATOM 335 CG ASP A 22 14.675 -5.911 -5.947 1.00 1.33 C ATOM 336 OD1 ASP A 22 14.304 -6.582 -6.931 1.00 1.43 O ATOM 337 OD2 ASP A 22 15.364 -6.393 -5.025 1.00 2.13 O ATOM 0 H ASP A 22 13.153 -2.330 -6.116 1.00 0.61 H new ATOM 0 HA ASP A 22 12.190 -4.849 -5.547 1.00 0.70 H new ATOM 0 HB2 ASP A 22 14.235 -4.049 -6.902 1.00 0.87 H new ATOM 0 HB3 ASP A 22 15.083 -3.891 -5.376 1.00 0.87 H new ATOM 342 N ASP A 23 13.471 -3.391 -2.971 1.00 0.69 N ATOM 343 CA ASP A 23 13.761 -3.508 -1.543 1.00 0.75 C ATOM 344 C ASP A 23 12.470 -3.778 -0.801 1.00 0.66 C ATOM 345 O ASP A 23 12.449 -4.115 0.381 1.00 0.75 O ATOM 346 CB ASP A 23 14.416 -2.232 -1.026 1.00 0.82 C ATOM 347 CG ASP A 23 14.604 -2.222 0.482 1.00 1.53 C ATOM 348 OD1 ASP A 23 15.612 -2.778 0.973 1.00 1.85 O ATOM 349 OD2 ASP A 23 13.743 -1.662 1.186 1.00 2.32 O ATOM 0 H ASP A 23 13.502 -2.438 -3.333 1.00 0.69 H new ATOM 0 HA ASP A 23 14.455 -4.332 -1.378 1.00 0.75 H new ATOM 0 HB2 ASP A 23 15.386 -2.109 -1.507 1.00 0.82 H new ATOM 0 HB3 ASP A 23 13.806 -1.376 -1.315 1.00 0.82 H new ATOM 354 N GLY A 24 11.396 -3.666 -1.553 1.00 0.56 N ATOM 355 CA GLY A 24 10.069 -3.791 -0.996 1.00 0.55 C ATOM 356 C GLY A 24 9.637 -2.451 -0.473 1.00 0.48 C ATOM 357 O GLY A 24 8.800 -2.330 0.424 1.00 0.55 O ATOM 0 H GLY A 24 11.418 -3.488 -2.557 1.00 0.56 H new ATOM 0 HA2 GLY A 24 9.372 -4.142 -1.757 1.00 0.55 H new ATOM 0 HA3 GLY A 24 10.064 -4.529 -0.194 1.00 0.55 H new ATOM 361 N THR A 25 10.255 -1.447 -1.056 1.00 0.40 N ATOM 362 CA THR A 25 10.247 -0.112 -0.542 1.00 0.39 C ATOM 363 C THR A 25 9.648 0.868 -1.542 1.00 0.36 C ATOM 364 O THR A 25 9.623 0.612 -2.749 1.00 0.41 O ATOM 365 CB THR A 25 11.710 0.268 -0.216 1.00 0.51 C ATOM 366 OG1 THR A 25 11.936 0.278 1.191 1.00 0.62 O ATOM 367 CG2 THR A 25 12.100 1.592 -0.829 1.00 0.47 C ATOM 0 H THR A 25 10.787 -1.548 -1.920 1.00 0.40 H new ATOM 0 HA THR A 25 9.626 -0.063 0.353 1.00 0.39 H new ATOM 0 HB THR A 25 12.345 -0.498 -0.661 1.00 0.51 H new ATOM 0 HG1 THR A 25 12.758 -0.216 1.394 1.00 0.62 H new ATOM 0 HG21 THR A 25 13.135 1.820 -0.575 1.00 0.47 H new ATOM 0 HG22 THR A 25 11.996 1.536 -1.913 1.00 0.47 H new ATOM 0 HG23 THR A 25 11.450 2.377 -0.443 1.00 0.47 H new ATOM 375 N VAL A 26 9.127 1.964 -1.013 1.00 0.33 N ATOM 376 CA VAL A 26 8.717 3.101 -1.789 1.00 0.37 C ATOM 377 C VAL A 26 8.936 4.366 -0.974 1.00 0.35 C ATOM 378 O VAL A 26 8.715 4.372 0.235 1.00 0.32 O ATOM 379 CB VAL A 26 7.247 2.997 -2.208 1.00 0.42 C ATOM 380 CG1 VAL A 26 7.119 2.167 -3.467 1.00 0.47 C ATOM 381 CG2 VAL A 26 6.425 2.385 -1.100 1.00 0.41 C ATOM 0 H VAL A 26 8.978 2.080 -0.011 1.00 0.33 H new ATOM 0 HA VAL A 26 9.317 3.132 -2.698 1.00 0.37 H new ATOM 0 HB VAL A 26 6.873 4.001 -2.407 1.00 0.42 H new ATOM 0 HG11 VAL A 26 6.070 2.101 -3.754 1.00 0.47 H new ATOM 0 HG12 VAL A 26 7.686 2.636 -4.271 1.00 0.47 H new ATOM 0 HG13 VAL A 26 7.509 1.166 -3.284 1.00 0.47 H new ATOM 0 HG21 VAL A 26 5.383 2.318 -1.414 1.00 0.41 H new ATOM 0 HG22 VAL A 26 6.801 1.387 -0.877 1.00 0.41 H new ATOM 0 HG23 VAL A 26 6.496 3.007 -0.208 1.00 0.41 H new ATOM 391 N LEU A 27 9.405 5.420 -1.621 1.00 0.42 N ATOM 392 CA LEU A 27 9.603 6.700 -0.955 1.00 0.45 C ATOM 393 C LEU A 27 8.266 7.232 -0.512 1.00 0.43 C ATOM 394 O LEU A 27 7.465 7.606 -1.347 1.00 0.48 O ATOM 395 CB LEU A 27 10.200 7.734 -1.907 1.00 0.56 C ATOM 396 CG LEU A 27 11.530 7.411 -2.581 1.00 1.25 C ATOM 397 CD1 LEU A 27 11.392 6.287 -3.598 1.00 1.94 C ATOM 398 CD2 LEU A 27 12.013 8.672 -3.251 1.00 1.67 C ATOM 0 H LEU A 27 9.657 5.416 -2.609 1.00 0.42 H new ATOM 0 HA LEU A 27 10.279 6.538 -0.115 1.00 0.45 H new ATOM 0 HB2 LEU A 27 9.468 7.927 -2.691 1.00 0.56 H new ATOM 0 HB3 LEU A 27 10.325 8.664 -1.352 1.00 0.56 H new ATOM 0 HG LEU A 27 12.245 7.066 -1.834 1.00 1.25 H new ATOM 0 HD11 LEU A 27 12.362 6.088 -4.055 1.00 1.94 H new ATOM 0 HD12 LEU A 27 11.035 5.386 -3.099 1.00 1.94 H new ATOM 0 HD13 LEU A 27 10.681 6.580 -4.370 1.00 1.94 H new ATOM 0 HD21 LEU A 27 12.965 8.480 -3.745 1.00 1.67 H new ATOM 0 HD22 LEU A 27 11.279 8.996 -3.989 1.00 1.67 H new ATOM 0 HD23 LEU A 27 12.144 9.454 -2.503 1.00 1.67 H new ATOM 410 N LEU A 28 8.034 7.286 0.788 1.00 0.45 N ATOM 411 CA LEU A 28 6.763 7.753 1.300 1.00 0.49 C ATOM 412 C LEU A 28 6.488 9.162 0.812 1.00 0.46 C ATOM 413 O LEU A 28 5.478 9.417 0.188 1.00 0.46 O ATOM 414 CB LEU A 28 6.802 7.746 2.822 1.00 0.63 C ATOM 415 CG LEU A 28 5.652 8.475 3.503 1.00 0.67 C ATOM 416 CD1 LEU A 28 4.339 7.747 3.266 1.00 0.83 C ATOM 417 CD2 LEU A 28 5.924 8.637 4.991 1.00 0.97 C ATOM 0 H LEU A 28 8.708 7.013 1.504 1.00 0.45 H new ATOM 0 HA LEU A 28 5.971 7.093 0.945 1.00 0.49 H new ATOM 0 HB2 LEU A 28 6.809 6.711 3.165 1.00 0.63 H new ATOM 0 HB3 LEU A 28 7.740 8.196 3.148 1.00 0.63 H new ATOM 0 HG LEU A 28 5.570 9.470 3.065 1.00 0.67 H new ATOM 0 HD11 LEU A 28 3.530 8.285 3.761 1.00 0.83 H new ATOM 0 HD12 LEU A 28 4.139 7.696 2.196 1.00 0.83 H new ATOM 0 HD13 LEU A 28 4.405 6.737 3.671 1.00 0.83 H new ATOM 0 HD21 LEU A 28 5.090 9.160 5.458 1.00 0.97 H new ATOM 0 HD22 LEU A 28 6.038 7.655 5.449 1.00 0.97 H new ATOM 0 HD23 LEU A 28 6.839 9.212 5.133 1.00 0.97 H new ATOM 429 N SER A 29 7.454 10.033 1.017 1.00 0.49 N ATOM 430 CA SER A 29 7.317 11.448 0.721 1.00 0.58 C ATOM 431 C SER A 29 7.198 11.673 -0.781 1.00 0.58 C ATOM 432 O SER A 29 6.296 12.380 -1.259 1.00 0.61 O ATOM 433 CB SER A 29 8.532 12.196 1.285 1.00 0.72 C ATOM 434 OG SER A 29 8.546 13.559 0.897 1.00 1.43 O ATOM 0 H SER A 29 8.366 9.779 1.397 1.00 0.49 H new ATOM 0 HA SER A 29 6.408 11.829 1.187 1.00 0.58 H new ATOM 0 HB2 SER A 29 8.525 12.129 2.373 1.00 0.72 H new ATOM 0 HB3 SER A 29 9.446 11.712 0.942 1.00 0.72 H new ATOM 0 HG SER A 29 9.334 13.999 1.278 1.00 1.43 H new ATOM 440 N THR A 30 8.086 11.035 -1.526 1.00 0.60 N ATOM 441 CA THR A 30 8.084 11.135 -2.954 1.00 0.68 C ATOM 442 C THR A 30 6.813 10.503 -3.515 1.00 0.65 C ATOM 443 O THR A 30 6.256 10.969 -4.511 1.00 0.74 O ATOM 444 CB THR A 30 9.369 10.526 -3.506 1.00 0.79 C ATOM 445 OG1 THR A 30 10.457 11.442 -3.330 1.00 1.42 O ATOM 446 CG2 THR A 30 9.222 10.155 -4.948 1.00 0.94 C ATOM 0 H THR A 30 8.821 10.438 -1.148 1.00 0.60 H new ATOM 0 HA THR A 30 8.071 12.178 -3.271 1.00 0.68 H new ATOM 0 HB THR A 30 9.579 9.611 -2.952 1.00 0.79 H new ATOM 0 HG1 THR A 30 11.184 11.208 -3.944 1.00 1.42 H new ATOM 0 HG21 THR A 30 10.156 9.724 -5.310 1.00 0.94 H new ATOM 0 HG22 THR A 30 8.420 9.425 -5.056 1.00 0.94 H new ATOM 0 HG23 THR A 30 8.984 11.045 -5.530 1.00 0.94 H new ATOM 454 N VAL A 31 6.330 9.469 -2.835 1.00 0.56 N ATOM 455 CA VAL A 31 5.034 8.893 -3.139 1.00 0.58 C ATOM 456 C VAL A 31 3.928 9.928 -2.936 1.00 0.56 C ATOM 457 O VAL A 31 3.080 10.088 -3.785 1.00 0.67 O ATOM 458 CB VAL A 31 4.772 7.624 -2.289 1.00 0.55 C ATOM 459 CG1 VAL A 31 3.298 7.418 -1.991 1.00 0.65 C ATOM 460 CG2 VAL A 31 5.327 6.408 -3.012 1.00 0.57 C ATOM 0 H VAL A 31 6.823 9.014 -2.067 1.00 0.56 H new ATOM 0 HA VAL A 31 5.033 8.593 -4.187 1.00 0.58 H new ATOM 0 HB VAL A 31 5.277 7.759 -1.332 1.00 0.55 H new ATOM 0 HG11 VAL A 31 3.170 6.516 -1.393 1.00 0.65 H new ATOM 0 HG12 VAL A 31 2.915 8.276 -1.439 1.00 0.65 H new ATOM 0 HG13 VAL A 31 2.749 7.314 -2.927 1.00 0.65 H new ATOM 0 HG21 VAL A 31 5.143 5.515 -2.415 1.00 0.57 H new ATOM 0 HG22 VAL A 31 4.836 6.305 -3.980 1.00 0.57 H new ATOM 0 HG23 VAL A 31 6.400 6.531 -3.160 1.00 0.57 H new ATOM 470 N THR A 32 3.969 10.666 -1.835 1.00 0.49 N ATOM 471 CA THR A 32 2.910 11.631 -1.525 1.00 0.52 C ATOM 472 C THR A 32 2.842 12.761 -2.548 1.00 0.64 C ATOM 473 O THR A 32 1.860 13.501 -2.570 1.00 0.72 O ATOM 474 CB THR A 32 3.009 12.235 -0.104 1.00 0.48 C ATOM 475 OG1 THR A 32 3.861 13.388 -0.085 1.00 0.67 O ATOM 476 CG2 THR A 32 3.534 11.232 0.878 1.00 0.52 C ATOM 0 H THR A 32 4.717 10.620 -1.143 1.00 0.49 H new ATOM 0 HA THR A 32 1.992 11.046 -1.570 1.00 0.52 H new ATOM 0 HB THR A 32 1.999 12.528 0.183 1.00 0.48 H new ATOM 0 HG1 THR A 32 4.733 13.156 -0.467 1.00 0.67 H new ATOM 0 HG21 THR A 32 3.592 11.687 1.867 1.00 0.52 H new ATOM 0 HG22 THR A 32 2.865 10.372 0.913 1.00 0.52 H new ATOM 0 HG23 THR A 32 4.528 10.907 0.570 1.00 0.52 H new ATOM 484 N ALA A 33 3.927 12.956 -3.303 1.00 0.69 N ATOM 485 CA ALA A 33 3.975 13.934 -4.414 1.00 0.82 C ATOM 486 C ALA A 33 2.906 13.719 -5.493 1.00 0.88 C ATOM 487 O ALA A 33 3.179 13.900 -6.685 1.00 0.93 O ATOM 488 CB ALA A 33 5.343 13.908 -5.049 1.00 0.89 C ATOM 0 H ALA A 33 4.800 12.445 -3.168 1.00 0.69 H new ATOM 0 HA ALA A 33 3.764 14.906 -3.969 1.00 0.82 H new ATOM 0 HB1 ALA A 33 5.378 14.628 -5.867 1.00 0.89 H new ATOM 0 HB2 ALA A 33 6.095 14.168 -4.304 1.00 0.89 H new ATOM 0 HB3 ALA A 33 5.546 12.909 -5.436 1.00 0.89 H new ATOM 494 N GLN A 34 1.700 13.371 -5.070 1.00 0.92 N ATOM 495 CA GLN A 34 0.620 12.990 -5.961 1.00 0.98 C ATOM 496 C GLN A 34 -0.535 12.452 -5.162 1.00 0.91 C ATOM 497 O GLN A 34 -0.606 12.633 -3.948 1.00 0.81 O ATOM 498 CB GLN A 34 1.088 11.893 -6.889 1.00 1.04 C ATOM 499 CG GLN A 34 1.698 10.720 -6.170 1.00 0.94 C ATOM 500 CD GLN A 34 3.047 10.351 -6.753 1.00 0.96 C ATOM 501 OE1 GLN A 34 4.105 11.020 -6.291 1.00 1.05 O flip ATOM 502 NE2 GLN A 34 3.138 9.500 -7.636 1.00 0.89 N flip ATOM 0 H GLN A 34 1.443 13.346 -4.083 1.00 0.92 H new ATOM 0 HA GLN A 34 0.314 13.868 -6.529 1.00 0.98 H new ATOM 0 HB2 GLN A 34 0.243 11.546 -7.484 1.00 1.04 H new ATOM 0 HB3 GLN A 34 1.820 12.304 -7.585 1.00 1.04 H new ATOM 0 HG2 GLN A 34 1.811 10.959 -5.112 1.00 0.94 H new ATOM 0 HG3 GLN A 34 1.027 9.864 -6.234 1.00 0.94 H new ATOM 0 HE21 GLN A 34 2.304 9.011 -7.961 1.00 0.89 H new ATOM 0 HE22 GLN A 34 4.048 9.283 -8.043 1.00 0.89 H new ATOM 511 N PHE A 35 -1.438 11.781 -5.849 1.00 0.98 N ATOM 512 CA PHE A 35 -2.413 10.969 -5.182 1.00 0.94 C ATOM 513 C PHE A 35 -2.078 9.499 -5.404 1.00 0.94 C ATOM 514 O PHE A 35 -2.463 8.906 -6.410 1.00 1.07 O ATOM 515 CB PHE A 35 -3.774 11.288 -5.767 1.00 1.08 C ATOM 516 CG PHE A 35 -4.365 12.579 -5.274 1.00 1.12 C ATOM 517 CD1 PHE A 35 -3.823 13.238 -4.179 1.00 1.15 C ATOM 518 CD2 PHE A 35 -5.462 13.135 -5.908 1.00 1.39 C ATOM 519 CE1 PHE A 35 -4.367 14.425 -3.728 1.00 1.25 C ATOM 520 CE2 PHE A 35 -6.009 14.320 -5.461 1.00 1.50 C ATOM 521 CZ PHE A 35 -5.462 14.966 -4.372 1.00 1.33 C ATOM 0 H PHE A 35 -1.510 11.787 -6.866 1.00 0.98 H new ATOM 0 HA PHE A 35 -2.415 11.171 -4.111 1.00 0.94 H new ATOM 0 HB2 PHE A 35 -3.690 11.330 -6.853 1.00 1.08 H new ATOM 0 HB3 PHE A 35 -4.459 10.474 -5.532 1.00 1.08 H new ATOM 0 HD1 PHE A 35 -2.966 12.818 -3.674 1.00 1.15 H new ATOM 0 HD2 PHE A 35 -5.895 12.636 -6.762 1.00 1.39 H new ATOM 0 HE1 PHE A 35 -3.937 14.928 -2.874 1.00 1.25 H new ATOM 0 HE2 PHE A 35 -6.866 14.742 -5.964 1.00 1.50 H new ATOM 0 HZ PHE A 35 -5.890 15.894 -4.023 1.00 1.33 H new ATOM 531 N PRO A 36 -1.321 8.912 -4.471 1.00 0.82 N ATOM 532 CA PRO A 36 -1.049 7.487 -4.415 1.00 0.85 C ATOM 533 C PRO A 36 -1.518 6.813 -3.114 1.00 0.77 C ATOM 534 O PRO A 36 -1.231 5.643 -2.874 1.00 0.83 O ATOM 535 CB PRO A 36 0.460 7.544 -4.390 1.00 0.82 C ATOM 536 CG PRO A 36 0.723 8.670 -3.435 1.00 0.67 C ATOM 537 CD PRO A 36 -0.468 9.596 -3.511 1.00 0.69 C ATOM 0 HA PRO A 36 -1.539 6.926 -5.211 1.00 0.85 H new ATOM 0 HB2 PRO A 36 0.896 6.607 -4.044 1.00 0.82 H new ATOM 0 HB3 PRO A 36 0.876 7.743 -5.378 1.00 0.82 H new ATOM 0 HG2 PRO A 36 0.855 8.293 -2.421 1.00 0.67 H new ATOM 0 HG3 PRO A 36 1.639 9.197 -3.702 1.00 0.67 H new ATOM 0 HD2 PRO A 36 -0.956 9.714 -2.543 1.00 0.69 H new ATOM 0 HD3 PRO A 36 -0.189 10.593 -3.851 1.00 0.69 H new ATOM 545 N GLY A 37 -2.223 7.562 -2.278 1.00 0.67 N ATOM 546 CA GLY A 37 -2.373 7.190 -0.879 1.00 0.60 C ATOM 547 C GLY A 37 -1.549 8.112 -0.004 1.00 0.48 C ATOM 548 O GLY A 37 -1.854 8.339 1.160 1.00 0.51 O ATOM 0 H GLY A 37 -2.697 8.426 -2.542 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -3.423 7.244 -0.591 1.00 0.60 H new ATOM 0 HA3 GLY A 37 -2.055 6.158 -0.733 1.00 0.60 H new ATOM 552 N ALA A 38 -0.515 8.654 -0.623 1.00 0.45 N ATOM 553 CA ALA A 38 0.350 9.676 -0.062 1.00 0.40 C ATOM 554 C ALA A 38 0.997 9.275 1.258 1.00 0.35 C ATOM 555 O ALA A 38 2.047 8.635 1.267 1.00 0.43 O ATOM 556 CB ALA A 38 -0.393 10.992 0.070 1.00 0.41 C ATOM 0 H ALA A 38 -0.244 8.383 -1.568 1.00 0.45 H new ATOM 0 HA ALA A 38 1.172 9.800 -0.767 1.00 0.40 H new ATOM 0 HB1 ALA A 38 0.273 11.745 0.492 1.00 0.41 H new ATOM 0 HB2 ALA A 38 -0.733 11.318 -0.913 1.00 0.41 H new ATOM 0 HB3 ALA A 38 -1.254 10.860 0.726 1.00 0.41 H new ATOM 562 N SER A 39 0.352 9.604 2.363 1.00 0.32 N ATOM 563 CA SER A 39 1.039 9.656 3.640 1.00 0.34 C ATOM 564 C SER A 39 0.479 8.614 4.573 1.00 0.32 C ATOM 565 O SER A 39 1.123 8.201 5.540 1.00 0.48 O ATOM 566 CB SER A 39 0.880 11.045 4.249 1.00 0.41 C ATOM 567 OG SER A 39 1.295 12.054 3.342 1.00 1.11 O ATOM 0 H SER A 39 -0.640 9.838 2.402 1.00 0.32 H new ATOM 0 HA SER A 39 2.098 9.451 3.485 1.00 0.34 H new ATOM 0 HB2 SER A 39 -0.162 11.207 4.525 1.00 0.41 H new ATOM 0 HB3 SER A 39 1.467 11.112 5.165 1.00 0.41 H new ATOM 0 HG SER A 39 1.181 12.934 3.757 1.00 1.11 H new ATOM 573 N GLY A 40 -0.730 8.202 4.275 1.00 0.36 N ATOM 574 CA GLY A 40 -1.383 7.221 5.063 1.00 0.35 C ATOM 575 C GLY A 40 -1.666 5.994 4.263 1.00 0.32 C ATOM 576 O GLY A 40 -1.931 6.076 3.065 1.00 0.39 O ATOM 0 H GLY A 40 -1.274 8.543 3.482 1.00 0.36 H new ATOM 0 HA2 GLY A 40 -0.761 6.965 5.920 1.00 0.35 H new ATOM 0 HA3 GLY A 40 -2.315 7.626 5.456 1.00 0.35 H new ATOM 580 N LEU A 41 -1.642 4.852 4.901 1.00 0.28 N ATOM 581 CA LEU A 41 -2.064 3.669 4.230 1.00 0.26 C ATOM 582 C LEU A 41 -3.092 2.937 5.045 1.00 0.25 C ATOM 583 O LEU A 41 -3.072 2.949 6.270 1.00 0.28 O ATOM 584 CB LEU A 41 -0.893 2.747 3.911 1.00 0.29 C ATOM 585 CG LEU A 41 -0.713 2.461 2.420 1.00 0.35 C ATOM 586 CD1 LEU A 41 -2.037 2.099 1.783 1.00 0.56 C ATOM 587 CD2 LEU A 41 -0.128 3.678 1.744 1.00 0.45 C ATOM 0 H LEU A 41 -1.339 4.725 5.867 1.00 0.28 H new ATOM 0 HA LEU A 41 -2.511 3.976 3.285 1.00 0.26 H new ATOM 0 HB2 LEU A 41 0.023 3.193 4.298 1.00 0.29 H new ATOM 0 HB3 LEU A 41 -1.034 1.803 4.437 1.00 0.29 H new ATOM 0 HG LEU A 41 -0.035 1.616 2.300 1.00 0.35 H new ATOM 0 HD11 LEU A 41 -1.888 1.899 0.722 1.00 0.56 H new ATOM 0 HD12 LEU A 41 -2.442 1.210 2.266 1.00 0.56 H new ATOM 0 HD13 LEU A 41 -2.736 2.927 1.901 1.00 0.56 H new ATOM 0 HD21 LEU A 41 0.001 3.477 0.681 1.00 0.45 H new ATOM 0 HD22 LEU A 41 -0.801 4.525 1.874 1.00 0.45 H new ATOM 0 HD23 LEU A 41 0.839 3.912 2.189 1.00 0.45 H new ATOM 599 N ARG A 42 -4.040 2.390 4.337 1.00 0.23 N ATOM 600 CA ARG A 42 -4.937 1.399 4.869 1.00 0.21 C ATOM 601 C ARG A 42 -4.969 0.294 3.861 1.00 0.21 C ATOM 602 O ARG A 42 -4.502 0.498 2.756 1.00 0.27 O ATOM 603 CB ARG A 42 -6.324 1.954 5.055 1.00 0.24 C ATOM 604 CG ARG A 42 -6.359 3.176 5.921 1.00 0.32 C ATOM 605 CD ARG A 42 -7.772 3.675 6.000 1.00 0.39 C ATOM 606 NE ARG A 42 -7.938 4.750 6.977 1.00 0.99 N ATOM 607 CZ ARG A 42 -9.020 5.523 7.067 1.00 1.25 C ATOM 608 NH1 ARG A 42 -10.007 5.403 6.188 1.00 1.20 N ATOM 609 NH2 ARG A 42 -9.107 6.427 8.032 1.00 1.94 N ATOM 0 H ARG A 42 -4.215 2.623 3.359 1.00 0.23 H new ATOM 0 HA ARG A 42 -4.597 1.060 5.848 1.00 0.21 H new ATOM 0 HB2 ARG A 42 -6.746 2.196 4.079 1.00 0.24 H new ATOM 0 HB3 ARG A 42 -6.960 1.186 5.496 1.00 0.24 H new ATOM 0 HG2 ARG A 42 -5.985 2.942 6.918 1.00 0.32 H new ATOM 0 HG3 ARG A 42 -5.709 3.948 5.510 1.00 0.32 H new ATOM 0 HD2 ARG A 42 -8.082 4.031 5.018 1.00 0.39 H new ATOM 0 HD3 ARG A 42 -8.431 2.847 6.262 1.00 0.39 H new ATOM 0 HE ARG A 42 -7.175 4.920 7.633 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -9.941 4.716 5.437 1.00 1.20 H new ATOM 0 HH12 ARG A 42 -10.832 5.998 6.263 1.00 1.20 H new ATOM 0 HH21 ARG A 42 -8.347 6.530 8.704 1.00 1.94 H new ATOM 0 HH22 ARG A 42 -9.934 7.020 8.103 1.00 1.94 H new ATOM 623 N TYR A 43 -5.404 -0.882 4.219 1.00 0.22 N ATOM 624 CA TYR A 43 -5.671 -1.869 3.202 1.00 0.25 C ATOM 625 C TYR A 43 -6.639 -2.923 3.667 1.00 0.33 C ATOM 626 O TYR A 43 -6.926 -3.028 4.871 1.00 0.41 O ATOM 627 CB TYR A 43 -4.374 -2.475 2.672 1.00 0.26 C ATOM 628 CG TYR A 43 -3.579 -3.329 3.649 1.00 0.39 C ATOM 629 CD1 TYR A 43 -4.090 -3.656 4.883 1.00 0.70 C ATOM 630 CD2 TYR A 43 -2.329 -3.825 3.313 1.00 0.98 C ATOM 631 CE1 TYR A 43 -3.388 -4.454 5.769 1.00 0.77 C ATOM 632 CE2 TYR A 43 -1.612 -4.617 4.186 1.00 1.14 C ATOM 633 CZ TYR A 43 -2.145 -4.929 5.415 1.00 0.76 C ATOM 634 OH TYR A 43 -1.430 -5.719 6.287 1.00 0.97 O ATOM 0 H TYR A 43 -5.579 -1.179 5.179 1.00 0.22 H new ATOM 0 HA TYR A 43 -6.158 -1.356 2.373 1.00 0.25 H new ATOM 0 HB2 TYR A 43 -4.613 -3.085 1.801 1.00 0.26 H new ATOM 0 HB3 TYR A 43 -3.733 -1.663 2.327 1.00 0.26 H new ATOM 0 HD1 TYR A 43 -5.062 -3.281 5.167 1.00 0.70 H new ATOM 0 HD2 TYR A 43 -1.908 -3.586 2.348 1.00 0.98 H new ATOM 0 HE1 TYR A 43 -3.812 -4.702 6.731 1.00 0.77 H new ATOM 0 HE2 TYR A 43 -0.638 -4.990 3.906 1.00 1.14 H new ATOM 0 HH TYR A 43 -0.899 -6.368 5.780 1.00 0.97 H new ATOM 644 N ARG A 44 -7.126 -3.682 2.692 1.00 0.35 N ATOM 645 CA ARG A 44 -7.938 -4.850 2.940 1.00 0.43 C ATOM 646 C ARG A 44 -7.134 -6.082 2.550 1.00 0.47 C ATOM 647 O ARG A 44 -6.450 -6.099 1.511 1.00 0.50 O ATOM 648 CB ARG A 44 -9.258 -4.782 2.177 1.00 0.57 C ATOM 649 CG ARG A 44 -10.150 -3.638 2.626 1.00 1.17 C ATOM 650 CD ARG A 44 -11.514 -3.710 1.964 1.00 1.33 C ATOM 651 NE ARG A 44 -12.192 -4.971 2.252 1.00 1.56 N ATOM 652 CZ ARG A 44 -13.498 -5.161 2.114 1.00 1.98 C ATOM 653 NH1 ARG A 44 -14.291 -4.150 1.775 1.00 2.27 N ATOM 654 NH2 ARG A 44 -14.015 -6.359 2.354 1.00 2.72 N ATOM 0 H ARG A 44 -6.963 -3.496 1.702 1.00 0.35 H new ATOM 0 HA ARG A 44 -8.195 -4.900 3.998 1.00 0.43 H new ATOM 0 HB2 ARG A 44 -9.050 -4.676 1.112 1.00 0.57 H new ATOM 0 HB3 ARG A 44 -9.793 -5.723 2.305 1.00 0.57 H new ATOM 0 HG2 ARG A 44 -10.267 -3.669 3.709 1.00 1.17 H new ATOM 0 HG3 ARG A 44 -9.675 -2.687 2.384 1.00 1.17 H new ATOM 0 HD2 ARG A 44 -12.130 -2.879 2.309 1.00 1.33 H new ATOM 0 HD3 ARG A 44 -11.401 -3.596 0.886 1.00 1.33 H new ATOM 0 HE ARG A 44 -11.627 -5.754 2.580 1.00 1.56 H new ATOM 0 HH11 ARG A 44 -13.896 -3.222 1.619 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -15.294 -4.302 1.670 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -13.409 -7.127 2.643 1.00 2.72 H new ATOM 0 HH22 ARG A 44 -15.018 -6.512 2.250 1.00 2.72 H new ATOM 668 N ASN A 45 -7.245 -7.112 3.369 1.00 0.55 N ATOM 669 CA ASN A 45 -6.271 -8.187 3.384 1.00 0.90 C ATOM 670 C ASN A 45 -6.940 -9.548 3.485 1.00 1.23 C ATOM 671 O ASN A 45 -7.589 -9.811 4.471 1.00 1.89 O ATOM 672 CB ASN A 45 -5.385 -7.964 4.609 1.00 1.76 C ATOM 673 CG ASN A 45 -4.142 -8.849 4.692 1.00 2.34 C ATOM 674 OD1 ASN A 45 -4.161 -10.016 4.068 1.00 3.04 O flip ATOM 675 ND2 ASN A 45 -3.155 -8.467 5.317 1.00 2.60 N flip ATOM 0 H ASN A 45 -8.007 -7.226 4.038 1.00 0.55 H new ATOM 0 HA ASN A 45 -5.697 -8.178 2.458 1.00 0.90 H new ATOM 0 HB2 ASN A 45 -5.069 -6.921 4.622 1.00 1.76 H new ATOM 0 HB3 ASN A 45 -5.985 -8.126 5.504 1.00 1.76 H new ATOM 0 HD21 ASN A 45 -3.168 -7.563 5.788 1.00 2.60 H new ATOM 0 HD22 ASN A 45 -2.322 -9.054 5.364 1.00 2.60 H new ATOM 723 N GLN A 49 -8.497 -8.750 6.797 1.00 1.21 N ATOM 724 CA GLN A 49 -8.714 -7.498 6.085 1.00 1.14 C ATOM 725 C GLN A 49 -8.736 -6.288 6.988 1.00 1.20 C ATOM 726 O GLN A 49 -9.415 -5.300 6.700 1.00 1.90 O ATOM 727 CB GLN A 49 -9.986 -7.548 5.319 1.00 1.97 C ATOM 728 CG GLN A 49 -10.051 -8.703 4.375 1.00 2.63 C ATOM 729 CD GLN A 49 -10.759 -8.393 3.094 1.00 3.38 C ATOM 730 OE1 GLN A 49 -11.982 -8.460 2.988 1.00 4.20 O ATOM 731 NE2 GLN A 49 -9.965 -8.091 2.091 1.00 3.27 N ATOM 0 HA GLN A 49 -7.864 -7.390 5.412 1.00 1.14 H new ATOM 0 HB2 GLN A 49 -10.822 -7.608 6.016 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -10.104 -6.620 4.759 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -9.037 -9.034 4.149 1.00 2.63 H new ATOM 0 HG3 GLN A 49 -10.555 -9.535 4.867 1.00 2.63 H new ATOM 0 HE21 GLN A 49 -8.956 -8.049 2.234 1.00 3.27 H new ATOM 0 HE22 GLN A 49 -10.358 -7.898 1.170 1.00 3.27 H new ATOM 740 N SER A 50 -8.035 -6.397 8.081 1.00 0.86 N ATOM 741 CA SER A 50 -7.806 -5.261 8.959 1.00 0.87 C ATOM 742 C SER A 50 -7.381 -4.048 8.148 1.00 0.98 C ATOM 743 O SER A 50 -6.398 -4.117 7.412 1.00 1.72 O ATOM 744 CB SER A 50 -6.726 -5.577 9.970 1.00 0.91 C ATOM 745 OG SER A 50 -6.949 -6.833 10.585 1.00 1.46 O ATOM 0 H SER A 50 -7.604 -7.266 8.396 1.00 0.86 H new ATOM 0 HA SER A 50 -8.738 -5.047 9.482 1.00 0.87 H new ATOM 0 HB2 SER A 50 -5.753 -5.578 9.478 1.00 0.91 H new ATOM 0 HB3 SER A 50 -6.698 -4.797 10.731 1.00 0.91 H new ATOM 0 HG SER A 50 -6.235 -7.012 11.232 1.00 1.46 H new ATOM 751 N MET A 51 -8.143 -2.962 8.254 1.00 0.51 N ATOM 752 CA MET A 51 -7.788 -1.711 7.591 1.00 0.48 C ATOM 753 C MET A 51 -6.482 -1.195 8.165 1.00 0.44 C ATOM 754 O MET A 51 -6.463 -0.403 9.109 1.00 0.59 O ATOM 755 CB MET A 51 -8.900 -0.662 7.736 1.00 0.57 C ATOM 756 CG MET A 51 -9.426 -0.510 9.156 1.00 1.07 C ATOM 757 SD MET A 51 -10.824 0.624 9.266 1.00 1.84 S ATOM 758 CE MET A 51 -10.068 2.154 8.729 1.00 2.35 C ATOM 0 H MET A 51 -9.009 -2.923 8.792 1.00 0.51 H new ATOM 0 HA MET A 51 -7.666 -1.902 6.525 1.00 0.48 H new ATOM 0 HB2 MET A 51 -8.523 0.302 7.394 1.00 0.57 H new ATOM 0 HB3 MET A 51 -9.728 -0.932 7.080 1.00 0.57 H new ATOM 0 HG2 MET A 51 -9.726 -1.487 9.534 1.00 1.07 H new ATOM 0 HG3 MET A 51 -8.622 -0.152 9.800 1.00 1.07 H new ATOM 0 HE1 MET A 51 -10.516 2.990 9.266 1.00 2.35 H new ATOM 0 HE2 MET A 51 -8.998 2.123 8.934 1.00 2.35 H new ATOM 0 HE3 MET A 51 -10.228 2.283 7.659 1.00 2.35 H new ATOM 768 N ARG A 52 -5.390 -1.670 7.606 1.00 0.35 N ATOM 769 CA ARG A 52 -4.081 -1.385 8.159 1.00 0.36 C ATOM 770 C ARG A 52 -3.178 -0.764 7.123 1.00 0.28 C ATOM 771 O ARG A 52 -3.309 -1.002 5.930 1.00 0.30 O ATOM 772 CB ARG A 52 -3.447 -2.655 8.715 1.00 0.48 C ATOM 773 CG ARG A 52 -1.983 -2.528 9.068 1.00 0.75 C ATOM 774 CD ARG A 52 -1.307 -3.874 8.922 1.00 0.70 C ATOM 775 NE ARG A 52 -0.019 -3.928 9.610 1.00 1.42 N ATOM 776 CZ ARG A 52 0.584 -5.054 9.988 1.00 1.76 C ATOM 777 NH1 ARG A 52 0.039 -6.233 9.717 1.00 1.81 N ATOM 778 NH2 ARG A 52 1.745 -4.998 10.630 1.00 2.48 N ATOM 0 H ARG A 52 -5.381 -2.255 6.770 1.00 0.35 H new ATOM 0 HA ARG A 52 -4.210 -0.671 8.972 1.00 0.36 H new ATOM 0 HB2 ARG A 52 -3.996 -2.959 9.606 1.00 0.48 H new ATOM 0 HB3 ARG A 52 -3.562 -3.453 7.982 1.00 0.48 H new ATOM 0 HG2 ARG A 52 -1.504 -1.797 8.417 1.00 0.75 H new ATOM 0 HG3 ARG A 52 -1.875 -2.165 10.090 1.00 0.75 H new ATOM 0 HD2 ARG A 52 -1.961 -4.651 9.319 1.00 0.70 H new ATOM 0 HD3 ARG A 52 -1.160 -4.091 7.864 1.00 0.70 H new ATOM 0 HE ARG A 52 0.449 -3.045 9.814 1.00 1.42 H new ATOM 0 HH11 ARG A 52 -0.848 -6.282 9.216 1.00 1.81 H new ATOM 0 HH12 ARG A 52 0.507 -7.091 10.010 1.00 1.81 H new ATOM 0 HH21 ARG A 52 2.173 -4.094 10.832 1.00 2.48 H new ATOM 0 HH22 ARG A 52 2.209 -5.859 10.921 1.00 2.48 H new ATOM 792 N GLY A 53 -2.273 0.033 7.613 1.00 0.32 N ATOM 793 CA GLY A 53 -1.370 0.764 6.776 1.00 0.35 C ATOM 794 C GLY A 53 -0.028 0.111 6.558 1.00 0.32 C ATOM 795 O GLY A 53 0.377 -0.811 7.267 1.00 0.41 O ATOM 0 H GLY A 53 -2.141 0.194 8.612 1.00 0.32 H new ATOM 0 HA2 GLY A 53 -1.843 0.919 5.806 1.00 0.35 H new ATOM 0 HA3 GLY A 53 -1.210 1.749 7.214 1.00 0.35 H new ATOM 799 N VAL A 54 0.643 0.644 5.566 1.00 0.31 N ATOM 800 CA VAL A 54 1.964 0.224 5.150 1.00 0.31 C ATOM 801 C VAL A 54 3.025 0.913 6.022 1.00 0.28 C ATOM 802 O VAL A 54 2.853 2.073 6.399 1.00 0.29 O ATOM 803 CB VAL A 54 2.172 0.547 3.651 1.00 0.36 C ATOM 804 CG1 VAL A 54 3.606 0.291 3.229 1.00 0.40 C ATOM 805 CG2 VAL A 54 1.224 -0.288 2.805 1.00 0.43 C ATOM 0 H VAL A 54 0.273 1.410 5.004 1.00 0.31 H new ATOM 0 HA VAL A 54 2.064 -0.854 5.279 1.00 0.31 H new ATOM 0 HB VAL A 54 1.958 1.605 3.498 1.00 0.36 H new ATOM 0 HG11 VAL A 54 3.722 0.527 2.171 1.00 0.40 H new ATOM 0 HG12 VAL A 54 4.276 0.919 3.816 1.00 0.40 H new ATOM 0 HG13 VAL A 54 3.853 -0.757 3.396 1.00 0.40 H new ATOM 0 HG21 VAL A 54 1.376 -0.055 1.751 1.00 0.43 H new ATOM 0 HG22 VAL A 54 1.421 -1.346 2.975 1.00 0.43 H new ATOM 0 HG23 VAL A 54 0.194 -0.062 3.082 1.00 0.43 H new ATOM 815 N ARG A 55 4.099 0.189 6.368 1.00 0.30 N ATOM 816 CA ARG A 55 5.075 0.685 7.343 1.00 0.33 C ATOM 817 C ARG A 55 5.796 1.915 6.830 1.00 0.33 C ATOM 818 O ARG A 55 6.232 1.939 5.689 1.00 0.36 O ATOM 819 CB ARG A 55 6.125 -0.347 7.660 1.00 0.42 C ATOM 820 CG ARG A 55 5.567 -1.649 8.152 1.00 0.63 C ATOM 821 CD ARG A 55 5.746 -2.680 7.077 1.00 1.67 C ATOM 822 NE ARG A 55 5.454 -4.038 7.521 1.00 2.30 N ATOM 823 CZ ARG A 55 6.343 -5.032 7.473 1.00 3.38 C ATOM 824 NH1 ARG A 55 7.599 -4.788 7.108 1.00 4.11 N ATOM 825 NH2 ARG A 55 5.986 -6.263 7.813 1.00 3.89 N ATOM 0 H ARG A 55 4.311 -0.734 5.990 1.00 0.30 H new ATOM 0 HA ARG A 55 4.502 0.924 8.239 1.00 0.33 H new ATOM 0 HB2 ARG A 55 6.720 -0.533 6.766 1.00 0.42 H new ATOM 0 HB3 ARG A 55 6.801 0.056 8.414 1.00 0.42 H new ATOM 0 HG2 ARG A 55 6.078 -1.960 9.064 1.00 0.63 H new ATOM 0 HG3 ARG A 55 4.511 -1.539 8.400 1.00 0.63 H new ATOM 0 HD2 ARG A 55 5.098 -2.434 6.236 1.00 1.67 H new ATOM 0 HD3 ARG A 55 6.772 -2.638 6.711 1.00 1.67 H new ATOM 0 HE ARG A 55 4.523 -4.238 7.887 1.00 2.30 H new ATOM 0 HH11 ARG A 55 7.884 -3.840 6.864 1.00 4.11 H new ATOM 0 HH12 ARG A 55 8.277 -5.549 7.072 1.00 4.11 H new ATOM 0 HH21 ARG A 55 5.029 -6.452 8.112 1.00 3.89 H new ATOM 0 HH22 ARG A 55 6.668 -7.021 7.775 1.00 3.89 H new ATOM 839 N LEU A 56 5.929 2.926 7.663 1.00 0.37 N ATOM 840 CA LEU A 56 6.746 4.070 7.310 1.00 0.38 C ATOM 841 C LEU A 56 8.007 4.104 8.180 1.00 0.40 C ATOM 842 O LEU A 56 7.932 4.253 9.400 1.00 0.48 O ATOM 843 CB LEU A 56 5.941 5.375 7.414 1.00 0.45 C ATOM 844 CG LEU A 56 5.248 5.637 8.751 1.00 0.58 C ATOM 845 CD1 LEU A 56 6.042 6.627 9.592 1.00 1.48 C ATOM 846 CD2 LEU A 56 3.826 6.131 8.531 1.00 1.53 C ATOM 0 H LEU A 56 5.487 2.980 8.581 1.00 0.37 H new ATOM 0 HA LEU A 56 7.059 3.973 6.270 1.00 0.38 H new ATOM 0 HB2 LEU A 56 6.612 6.209 7.207 1.00 0.45 H new ATOM 0 HB3 LEU A 56 5.184 5.373 6.630 1.00 0.45 H new ATOM 0 HG LEU A 56 5.201 4.695 9.298 1.00 0.58 H new ATOM 0 HD11 LEU A 56 5.527 6.796 10.538 1.00 1.48 H new ATOM 0 HD12 LEU A 56 7.036 6.224 9.787 1.00 1.48 H new ATOM 0 HD13 LEU A 56 6.132 7.571 9.054 1.00 1.48 H new ATOM 0 HD21 LEU A 56 3.350 6.311 9.495 1.00 1.53 H new ATOM 0 HD22 LEU A 56 3.847 7.058 7.958 1.00 1.53 H new ATOM 0 HD23 LEU A 56 3.260 5.378 7.982 1.00 1.53 H new ATOM 858 N VAL A 57 9.166 3.919 7.552 1.00 0.37 N ATOM 859 CA VAL A 57 10.425 3.897 8.274 1.00 0.42 C ATOM 860 C VAL A 57 11.381 4.918 7.679 1.00 0.44 C ATOM 861 O VAL A 57 11.805 4.769 6.545 1.00 0.43 O ATOM 862 CB VAL A 57 11.096 2.509 8.199 1.00 0.44 C ATOM 863 CG1 VAL A 57 12.260 2.432 9.172 1.00 0.53 C ATOM 864 CG2 VAL A 57 10.091 1.398 8.472 1.00 0.49 C ATOM 0 H VAL A 57 9.254 3.783 6.545 1.00 0.37 H new ATOM 0 HA VAL A 57 10.207 4.133 9.316 1.00 0.42 H new ATOM 0 HB VAL A 57 11.478 2.370 7.188 1.00 0.44 H new ATOM 0 HG11 VAL A 57 12.723 1.447 9.108 1.00 0.53 H new ATOM 0 HG12 VAL A 57 12.995 3.196 8.921 1.00 0.53 H new ATOM 0 HG13 VAL A 57 11.898 2.597 10.187 1.00 0.53 H new ATOM 0 HG21 VAL A 57 10.592 0.432 8.412 1.00 0.49 H new ATOM 0 HG22 VAL A 57 9.668 1.527 9.468 1.00 0.49 H new ATOM 0 HG23 VAL A 57 9.293 1.439 7.731 1.00 0.49 H new ATOM 874 N GLU A 58 11.709 5.948 8.452 1.00 0.53 N ATOM 875 CA GLU A 58 12.649 6.995 8.028 1.00 0.60 C ATOM 876 C GLU A 58 12.263 7.586 6.675 1.00 0.54 C ATOM 877 O GLU A 58 13.125 7.902 5.854 1.00 0.60 O ATOM 878 CB GLU A 58 14.071 6.440 7.950 1.00 0.71 C ATOM 879 CG GLU A 58 14.450 5.596 9.144 1.00 0.78 C ATOM 880 CD GLU A 58 15.913 5.222 9.158 1.00 1.12 C ATOM 881 OE1 GLU A 58 16.755 6.111 9.392 1.00 1.51 O ATOM 882 OE2 GLU A 58 16.231 4.036 8.930 1.00 1.50 O ATOM 0 H GLU A 58 11.334 6.086 9.391 1.00 0.53 H new ATOM 0 HA GLU A 58 12.606 7.787 8.775 1.00 0.60 H new ATOM 0 HB2 GLU A 58 14.171 5.841 7.045 1.00 0.71 H new ATOM 0 HB3 GLU A 58 14.773 7.269 7.863 1.00 0.71 H new ATOM 0 HG2 GLU A 58 14.210 6.140 10.058 1.00 0.78 H new ATOM 0 HG3 GLU A 58 13.848 4.687 9.146 1.00 0.78 H new ATOM 889 N GLY A 59 10.969 7.718 6.438 1.00 0.49 N ATOM 890 CA GLY A 59 10.508 8.281 5.188 1.00 0.49 C ATOM 891 C GLY A 59 10.252 7.229 4.126 1.00 0.45 C ATOM 892 O GLY A 59 9.840 7.558 3.014 1.00 0.51 O ATOM 0 H GLY A 59 10.231 7.446 7.087 1.00 0.49 H new ATOM 0 HA2 GLY A 59 9.591 8.843 5.365 1.00 0.49 H new ATOM 0 HA3 GLY A 59 11.249 8.990 4.819 1.00 0.49 H new ATOM 896 N ILE A 60 10.506 5.967 4.445 1.00 0.38 N ATOM 897 CA ILE A 60 10.203 4.894 3.519 1.00 0.35 C ATOM 898 C ILE A 60 8.853 4.287 3.828 1.00 0.31 C ATOM 899 O ILE A 60 8.461 4.197 4.983 1.00 0.32 O ATOM 900 CB ILE A 60 11.191 3.745 3.571 1.00 0.35 C ATOM 901 CG1 ILE A 60 12.586 4.244 3.832 1.00 0.43 C ATOM 902 CG2 ILE A 60 11.136 3.006 2.246 1.00 0.38 C ATOM 903 CD1 ILE A 60 13.542 3.124 4.046 1.00 0.49 C ATOM 0 H ILE A 60 10.917 5.667 5.329 1.00 0.38 H new ATOM 0 HA ILE A 60 10.239 5.363 2.536 1.00 0.35 H new ATOM 0 HB ILE A 60 10.924 3.074 4.388 1.00 0.35 H new ATOM 0 HG12 ILE A 60 12.919 4.850 2.989 1.00 0.43 H new ATOM 0 HG13 ILE A 60 12.582 4.892 4.709 1.00 0.43 H new ATOM 0 HG21 ILE A 60 11.841 2.175 2.264 1.00 0.38 H new ATOM 0 HG22 ILE A 60 10.128 2.624 2.084 1.00 0.38 H new ATOM 0 HG23 ILE A 60 11.400 3.688 1.438 1.00 0.38 H new ATOM 0 HD11 ILE A 60 14.538 3.526 4.231 1.00 0.49 H new ATOM 0 HD12 ILE A 60 13.224 2.533 4.905 1.00 0.49 H new ATOM 0 HD13 ILE A 60 13.565 2.491 3.159 1.00 0.49 H new ATOM 915 N LEU A 61 8.157 3.872 2.802 1.00 0.31 N ATOM 916 CA LEU A 61 6.953 3.093 2.976 1.00 0.31 C ATOM 917 C LEU A 61 7.288 1.638 2.635 1.00 0.31 C ATOM 918 O LEU A 61 7.667 1.346 1.504 1.00 0.35 O ATOM 919 CB LEU A 61 5.850 3.643 2.075 1.00 0.37 C ATOM 920 CG LEU A 61 4.428 3.372 2.551 1.00 0.69 C ATOM 921 CD1 LEU A 61 4.164 4.080 3.873 1.00 0.94 C ATOM 922 CD2 LEU A 61 3.426 3.812 1.495 1.00 1.07 C ATOM 0 H LEU A 61 8.403 4.061 1.830 1.00 0.31 H new ATOM 0 HA LEU A 61 6.590 3.149 4.002 1.00 0.31 H new ATOM 0 HB2 LEU A 61 5.985 4.720 1.979 1.00 0.37 H new ATOM 0 HB3 LEU A 61 5.970 3.217 1.079 1.00 0.37 H new ATOM 0 HG LEU A 61 4.312 2.300 2.710 1.00 0.69 H new ATOM 0 HD11 LEU A 61 3.144 3.875 4.198 1.00 0.94 H new ATOM 0 HD12 LEU A 61 4.864 3.718 4.626 1.00 0.94 H new ATOM 0 HD13 LEU A 61 4.295 5.154 3.743 1.00 0.94 H new ATOM 0 HD21 LEU A 61 2.414 3.613 1.848 1.00 1.07 H new ATOM 0 HD22 LEU A 61 3.541 4.879 1.307 1.00 1.07 H new ATOM 0 HD23 LEU A 61 3.604 3.260 0.572 1.00 1.07 H new ATOM 934 N HIS A 62 7.203 0.732 3.602 1.00 0.33 N ATOM 935 CA HIS A 62 7.680 -0.625 3.377 1.00 0.38 C ATOM 936 C HIS A 62 6.553 -1.648 3.451 1.00 0.40 C ATOM 937 O HIS A 62 5.722 -1.614 4.363 1.00 0.38 O ATOM 938 CB HIS A 62 8.767 -0.985 4.393 1.00 0.48 C ATOM 939 CG HIS A 62 9.897 -1.777 3.801 1.00 0.63 C ATOM 940 ND1 HIS A 62 9.822 -3.123 3.519 1.00 1.41 N ATOM 941 CD2 HIS A 62 11.139 -1.390 3.427 1.00 1.33 C ATOM 942 CE1 HIS A 62 10.965 -3.526 2.998 1.00 1.50 C ATOM 943 NE2 HIS A 62 11.781 -2.496 2.929 1.00 1.43 N ATOM 0 H HIS A 62 6.817 0.907 4.530 1.00 0.33 H new ATOM 0 HA HIS A 62 8.095 -0.655 2.370 1.00 0.38 H new ATOM 0 HB2 HIS A 62 9.165 -0.068 4.829 1.00 0.48 H new ATOM 0 HB3 HIS A 62 8.319 -1.556 5.206 1.00 0.48 H new ATOM 0 HD1 HIS A 62 9.009 -3.716 3.687 1.00 1.41 H new ATOM 0 HD2 HIS A 62 11.549 -0.394 3.506 1.00 1.33 H new ATOM 0 HE1 HIS A 62 11.193 -4.533 2.681 1.00 1.50 H new ATOM 0 HE2 HIS A 62 12.734 -2.516 2.565 1.00 1.43 H new ATOM 952 N ALA A 63 6.532 -2.542 2.475 1.00 0.54 N ATOM 953 CA ALA A 63 5.714 -3.727 2.513 1.00 0.58 C ATOM 954 C ALA A 63 6.530 -4.833 3.180 1.00 0.68 C ATOM 955 O ALA A 63 7.749 -4.701 3.287 1.00 0.83 O ATOM 956 CB ALA A 63 5.330 -4.097 1.097 1.00 0.72 C ATOM 0 H ALA A 63 7.092 -2.457 1.627 1.00 0.54 H new ATOM 0 HA ALA A 63 4.797 -3.569 3.081 1.00 0.58 H new ATOM 0 HB1 ALA A 63 4.710 -4.993 1.111 1.00 0.72 H new ATOM 0 HB2 ALA A 63 4.772 -3.277 0.645 1.00 0.72 H new ATOM 0 HB3 ALA A 63 6.231 -4.288 0.514 1.00 0.72 H new ATOM 962 N PRO A 64 5.911 -5.922 3.666 1.00 0.81 N ATOM 963 CA PRO A 64 6.645 -6.961 4.378 1.00 1.14 C ATOM 964 C PRO A 64 7.562 -7.719 3.433 1.00 1.27 C ATOM 965 O PRO A 64 7.276 -7.792 2.239 1.00 1.16 O ATOM 966 CB PRO A 64 5.540 -7.877 4.934 1.00 1.29 C ATOM 967 CG PRO A 64 4.277 -7.105 4.751 1.00 1.16 C ATOM 968 CD PRO A 64 4.503 -6.291 3.516 1.00 0.81 C ATOM 0 HA PRO A 64 7.291 -6.563 5.161 1.00 1.14 H new ATOM 0 HB2 PRO A 64 5.505 -8.825 4.398 1.00 1.29 H new ATOM 0 HB3 PRO A 64 5.712 -8.111 5.985 1.00 1.29 H new ATOM 0 HG2 PRO A 64 3.420 -7.769 4.636 1.00 1.16 H new ATOM 0 HG3 PRO A 64 4.074 -6.469 5.612 1.00 1.16 H new ATOM 0 HD2 PRO A 64 4.324 -6.865 2.607 1.00 0.81 H new ATOM 0 HD3 PRO A 64 3.852 -5.418 3.475 1.00 0.81 H new ATOM 976 N ASP A 65 8.642 -8.275 3.967 1.00 1.69 N ATOM 977 CA ASP A 65 9.699 -8.891 3.154 1.00 2.00 C ATOM 978 C ASP A 65 9.120 -9.809 2.093 1.00 1.88 C ATOM 979 O ASP A 65 9.532 -9.793 0.929 1.00 2.05 O ATOM 980 CB ASP A 65 10.616 -9.713 4.057 1.00 2.48 C ATOM 981 CG ASP A 65 11.386 -8.863 5.047 1.00 2.81 C ATOM 982 OD1 ASP A 65 10.875 -8.654 6.172 1.00 2.88 O ATOM 983 OD2 ASP A 65 12.491 -8.388 4.713 1.00 3.12 O ATOM 0 H ASP A 65 8.816 -8.315 4.971 1.00 1.69 H new ATOM 0 HA ASP A 65 10.252 -8.091 2.661 1.00 2.00 H new ATOM 0 HB2 ASP A 65 10.020 -10.445 4.601 1.00 2.48 H new ATOM 0 HB3 ASP A 65 11.320 -10.271 3.440 1.00 2.48 H new ATOM 988 N ALA A 66 8.154 -10.597 2.522 1.00 1.72 N ATOM 989 CA ALA A 66 7.517 -11.588 1.685 1.00 1.72 C ATOM 990 C ALA A 66 6.190 -11.959 2.301 1.00 1.60 C ATOM 991 O ALA A 66 5.782 -13.121 2.287 1.00 2.08 O ATOM 992 CB ALA A 66 8.408 -12.795 1.623 1.00 2.14 C ATOM 0 H ALA A 66 7.787 -10.565 3.473 1.00 1.72 H new ATOM 0 HA ALA A 66 7.352 -11.201 0.679 1.00 1.72 H new ATOM 0 HB1 ALA A 66 7.946 -13.557 0.995 1.00 2.14 H new ATOM 0 HB2 ALA A 66 9.373 -12.514 1.201 1.00 2.14 H new ATOM 0 HB3 ALA A 66 8.553 -13.192 2.628 1.00 2.14 H new ATOM 998 N GLY A 67 5.545 -10.962 2.879 1.00 1.28 N ATOM 999 CA GLY A 67 4.347 -11.201 3.653 1.00 1.56 C ATOM 1000 C GLY A 67 3.151 -11.604 2.821 1.00 1.12 C ATOM 1001 O GLY A 67 3.048 -12.745 2.374 1.00 1.42 O ATOM 0 H GLY A 67 5.831 -9.984 2.826 1.00 1.28 H new ATOM 0 HA2 GLY A 67 4.549 -11.984 4.384 1.00 1.56 H new ATOM 0 HA3 GLY A 67 4.101 -10.298 4.212 1.00 1.56 H new ATOM 1005 N TRP A 68 2.239 -10.672 2.614 1.00 0.81 N ATOM 1006 CA TRP A 68 0.998 -10.962 1.957 1.00 0.98 C ATOM 1007 C TRP A 68 1.192 -10.840 0.468 1.00 1.13 C ATOM 1008 O TRP A 68 0.969 -11.783 -0.292 1.00 1.83 O ATOM 1009 CB TRP A 68 -0.060 -9.977 2.437 1.00 1.31 C ATOM 1010 CG TRP A 68 0.305 -9.273 3.713 1.00 1.41 C ATOM 1011 CD1 TRP A 68 0.399 -7.929 3.908 1.00 1.54 C ATOM 1012 CD2 TRP A 68 0.648 -9.885 4.958 1.00 1.97 C ATOM 1013 NE1 TRP A 68 0.764 -7.668 5.199 1.00 1.59 N ATOM 1014 CE2 TRP A 68 0.920 -8.854 5.869 1.00 2.00 C ATOM 1015 CE3 TRP A 68 0.739 -11.205 5.382 1.00 2.82 C ATOM 1016 CZ2 TRP A 68 1.283 -9.107 7.188 1.00 2.75 C ATOM 1017 CZ3 TRP A 68 1.101 -11.463 6.689 1.00 3.69 C ATOM 1018 CH2 TRP A 68 1.365 -10.416 7.582 1.00 3.62 C ATOM 0 H TRP A 68 2.346 -9.699 2.899 1.00 0.81 H new ATOM 0 HA TRP A 68 0.671 -11.975 2.191 1.00 0.98 H new ATOM 0 HB2 TRP A 68 -0.231 -9.234 1.659 1.00 1.31 H new ATOM 0 HB3 TRP A 68 -1.000 -10.509 2.582 1.00 1.31 H new ATOM 0 HD1 TRP A 68 0.213 -7.179 3.153 1.00 1.54 H new ATOM 0 HE1 TRP A 68 0.899 -6.740 5.600 1.00 1.59 H new ATOM 0 HE3 TRP A 68 0.530 -12.016 4.700 1.00 2.82 H new ATOM 0 HZ2 TRP A 68 1.492 -8.301 7.876 1.00 2.75 H new ATOM 0 HZ3 TRP A 68 1.182 -12.485 7.028 1.00 3.69 H new ATOM 0 HH2 TRP A 68 1.639 -10.646 8.601 1.00 3.62 H new ATOM 1029 N GLY A 69 1.613 -9.660 0.066 1.00 0.79 N ATOM 1030 CA GLY A 69 1.988 -9.448 -1.300 1.00 1.13 C ATOM 1031 C GLY A 69 1.722 -8.049 -1.776 1.00 1.01 C ATOM 1032 O GLY A 69 2.638 -7.256 -1.966 1.00 1.78 O ATOM 0 H GLY A 69 1.701 -8.842 0.668 1.00 0.79 H new ATOM 0 HA2 GLY A 69 3.049 -9.669 -1.417 1.00 1.13 H new ATOM 0 HA3 GLY A 69 1.444 -10.150 -1.932 1.00 1.13 H new ATOM 1036 N ASN A 70 0.453 -7.748 -1.905 1.00 0.53 N ATOM 1037 CA ASN A 70 0.004 -6.548 -2.577 1.00 0.40 C ATOM 1038 C ASN A 70 -1.132 -5.963 -1.820 1.00 0.60 C ATOM 1039 O ASN A 70 -1.037 -4.831 -1.370 1.00 1.48 O ATOM 1040 CB ASN A 70 -0.414 -6.819 -4.028 1.00 0.55 C ATOM 1041 CG ASN A 70 -0.943 -8.218 -4.282 1.00 0.70 C ATOM 1042 OD1 ASN A 70 -1.510 -8.863 -3.399 1.00 1.24 O ATOM 1043 ND2 ASN A 70 -0.785 -8.688 -5.504 1.00 0.75 N ATOM 0 H ASN A 70 -0.303 -8.330 -1.546 1.00 0.53 H new ATOM 0 HA ASN A 70 0.837 -5.846 -2.610 1.00 0.40 H new ATOM 0 HB2 ASN A 70 -1.180 -6.098 -4.312 1.00 0.55 H new ATOM 0 HB3 ASN A 70 0.444 -6.646 -4.678 1.00 0.55 H new ATOM 0 HD21 ASN A 70 -1.138 -9.615 -5.744 1.00 0.75 H new ATOM 0 HD22 ASN A 70 -0.310 -8.125 -6.210 1.00 0.75 H new ATOM 1050 N LEU A 71 -2.171 -6.768 -1.615 1.00 0.45 N ATOM 1051 CA LEU A 71 -3.376 -6.343 -0.943 1.00 0.40 C ATOM 1052 C LEU A 71 -3.947 -5.149 -1.606 1.00 0.36 C ATOM 1053 O LEU A 71 -3.283 -4.450 -2.349 1.00 0.43 O ATOM 1054 CB LEU A 71 -3.107 -5.995 0.504 1.00 0.39 C ATOM 1055 CG LEU A 71 -2.261 -6.997 1.299 1.00 0.50 C ATOM 1056 CD1 LEU A 71 -2.588 -8.428 0.903 1.00 0.90 C ATOM 1057 CD2 LEU A 71 -0.779 -6.685 1.149 1.00 0.84 C ATOM 0 H LEU A 71 -2.191 -7.742 -1.917 1.00 0.45 H new ATOM 0 HA LEU A 71 -4.079 -7.175 -0.992 1.00 0.40 H new ATOM 0 HB2 LEU A 71 -2.609 -5.026 0.536 1.00 0.39 H new ATOM 0 HB3 LEU A 71 -4.065 -5.878 1.011 1.00 0.39 H new ATOM 0 HG LEU A 71 -2.510 -6.897 2.355 1.00 0.50 H new ATOM 0 HD11 LEU A 71 -1.973 -9.116 1.483 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -3.641 -8.629 1.100 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -2.385 -8.567 -0.159 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -0.196 -7.407 1.720 1.00 0.84 H new ATOM 0 HD22 LEU A 71 -0.499 -6.744 0.097 1.00 0.84 H new ATOM 0 HD23 LEU A 71 -0.579 -5.680 1.522 1.00 0.84 H new ATOM 1069 N VAL A 72 -5.183 -4.909 -1.333 1.00 0.36 N ATOM 1070 CA VAL A 72 -5.818 -3.786 -1.873 1.00 0.38 C ATOM 1071 C VAL A 72 -5.707 -2.651 -0.870 1.00 0.31 C ATOM 1072 O VAL A 72 -6.386 -2.629 0.161 1.00 0.31 O ATOM 1073 CB VAL A 72 -7.255 -4.164 -2.170 1.00 0.49 C ATOM 1074 CG1 VAL A 72 -7.335 -5.148 -3.326 1.00 0.73 C ATOM 1075 CG2 VAL A 72 -7.857 -4.771 -0.924 1.00 0.82 C ATOM 0 H VAL A 72 -5.768 -5.489 -0.732 1.00 0.36 H new ATOM 0 HA VAL A 72 -5.357 -3.452 -2.803 1.00 0.38 H new ATOM 0 HB VAL A 72 -7.810 -3.272 -2.460 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -8.378 -5.401 -3.517 1.00 0.73 H new ATOM 0 HG12 VAL A 72 -6.902 -4.697 -4.219 1.00 0.73 H new ATOM 0 HG13 VAL A 72 -6.782 -6.053 -3.073 1.00 0.73 H new ATOM 0 HG21 VAL A 72 -8.893 -5.050 -1.119 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -7.290 -5.658 -0.641 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -7.823 -4.044 -0.112 1.00 0.82 H new ATOM 1085 N TYR A 73 -4.823 -1.719 -1.153 1.00 0.29 N ATOM 1086 CA TYR A 73 -4.582 -0.638 -0.232 1.00 0.26 C ATOM 1087 C TYR A 73 -5.656 0.411 -0.320 1.00 0.27 C ATOM 1088 O TYR A 73 -6.131 0.743 -1.400 1.00 0.30 O ATOM 1089 CB TYR A 73 -3.242 0.018 -0.516 1.00 0.28 C ATOM 1090 CG TYR A 73 -2.064 -0.901 -0.365 1.00 0.28 C ATOM 1091 CD1 TYR A 73 -0.963 -0.771 -1.184 1.00 0.33 C ATOM 1092 CD2 TYR A 73 -2.049 -1.886 0.604 1.00 0.27 C ATOM 1093 CE1 TYR A 73 0.127 -1.594 -1.041 1.00 0.36 C ATOM 1094 CE2 TYR A 73 -0.960 -2.719 0.751 1.00 0.32 C ATOM 1095 CZ TYR A 73 0.129 -2.565 -0.070 1.00 0.36 C ATOM 1096 OH TYR A 73 1.217 -3.393 0.070 1.00 0.42 O ATOM 0 H TYR A 73 -4.265 -1.690 -2.007 1.00 0.29 H new ATOM 0 HA TYR A 73 -4.583 -1.067 0.770 1.00 0.26 H new ATOM 0 HB2 TYR A 73 -3.252 0.414 -1.531 1.00 0.28 H new ATOM 0 HB3 TYR A 73 -3.115 0.867 0.156 1.00 0.28 H new ATOM 0 HD1 TYR A 73 -0.957 -0.010 -1.950 1.00 0.33 H new ATOM 0 HD2 TYR A 73 -2.902 -2.005 1.255 1.00 0.27 H new ATOM 0 HE1 TYR A 73 0.981 -1.478 -1.691 1.00 0.36 H new ATOM 0 HE2 TYR A 73 -0.964 -3.489 1.508 1.00 0.32 H new ATOM 0 HH TYR A 73 1.006 -4.276 -0.300 1.00 0.42 H new ATOM 1106 N VAL A 74 -6.044 0.894 0.844 1.00 0.26 N ATOM 1107 CA VAL A 74 -6.946 2.002 0.966 1.00 0.26 C ATOM 1108 C VAL A 74 -6.128 3.280 1.175 1.00 0.33 C ATOM 1109 O VAL A 74 -5.033 3.238 1.741 1.00 0.34 O ATOM 1110 CB VAL A 74 -7.907 1.728 2.133 1.00 0.23 C ATOM 1111 CG1 VAL A 74 -8.420 3.011 2.765 1.00 0.30 C ATOM 1112 CG2 VAL A 74 -9.069 0.882 1.662 1.00 0.26 C ATOM 0 H VAL A 74 -5.732 0.516 1.739 1.00 0.26 H new ATOM 0 HA VAL A 74 -7.544 2.132 0.064 1.00 0.26 H new ATOM 0 HB VAL A 74 -7.347 1.188 2.896 1.00 0.23 H new ATOM 0 HG11 VAL A 74 -9.096 2.768 3.585 1.00 0.30 H new ATOM 0 HG12 VAL A 74 -7.579 3.590 3.147 1.00 0.30 H new ATOM 0 HG13 VAL A 74 -8.954 3.597 2.017 1.00 0.30 H new ATOM 0 HG21 VAL A 74 -9.744 0.694 2.497 1.00 0.26 H new ATOM 0 HG22 VAL A 74 -9.606 1.408 0.873 1.00 0.26 H new ATOM 0 HG23 VAL A 74 -8.696 -0.067 1.276 1.00 0.26 H new ATOM 1122 N VAL A 75 -6.663 4.412 0.755 1.00 0.44 N ATOM 1123 CA VAL A 75 -5.849 5.603 0.568 1.00 0.59 C ATOM 1124 C VAL A 75 -6.229 6.716 1.528 1.00 0.59 C ATOM 1125 O VAL A 75 -7.349 7.232 1.501 1.00 0.80 O ATOM 1126 CB VAL A 75 -5.927 6.098 -0.892 1.00 0.95 C ATOM 1127 CG1 VAL A 75 -5.577 7.562 -0.999 1.00 1.84 C ATOM 1128 CG2 VAL A 75 -4.999 5.271 -1.764 1.00 1.70 C ATOM 0 H VAL A 75 -7.652 4.534 0.537 1.00 0.44 H new ATOM 0 HA VAL A 75 -4.819 5.322 0.789 1.00 0.59 H new ATOM 0 HB VAL A 75 -6.954 5.978 -1.237 1.00 0.95 H new ATOM 0 HG11 VAL A 75 -5.642 7.877 -2.041 1.00 1.84 H new ATOM 0 HG12 VAL A 75 -6.274 8.147 -0.399 1.00 1.84 H new ATOM 0 HG13 VAL A 75 -4.562 7.721 -0.635 1.00 1.84 H new ATOM 0 HG21 VAL A 75 -5.057 5.624 -2.794 1.00 1.70 H new ATOM 0 HG22 VAL A 75 -3.975 5.371 -1.403 1.00 1.70 H new ATOM 0 HG23 VAL A 75 -5.298 4.224 -1.722 1.00 1.70 H new ATOM 1138 N ASN A 76 -5.296 7.056 2.405 1.00 0.48 N ATOM 1139 CA ASN A 76 -5.512 8.126 3.365 1.00 0.54 C ATOM 1140 C ASN A 76 -4.367 9.137 3.338 1.00 0.48 C ATOM 1141 O ASN A 76 -3.211 8.764 3.419 1.00 0.45 O ATOM 1142 CB ASN A 76 -5.705 7.557 4.790 1.00 0.67 C ATOM 1143 CG ASN A 76 -4.797 6.415 5.159 1.00 0.97 C ATOM 1144 OD1 ASN A 76 -4.827 5.357 4.386 1.00 1.88 O flip ATOM 1145 ND2 ASN A 76 -4.111 6.463 6.180 1.00 1.31 N flip ATOM 0 H ASN A 76 -4.383 6.606 2.471 1.00 0.48 H new ATOM 0 HA ASN A 76 -6.425 8.648 3.078 1.00 0.54 H new ATOM 0 HB2 ASN A 76 -5.556 8.364 5.508 1.00 0.67 H new ATOM 0 HB3 ASN A 76 -6.738 7.225 4.893 1.00 0.67 H new ATOM 0 HD21 ASN A 76 -4.113 7.304 6.757 1.00 1.31 H new ATOM 0 HD22 ASN A 76 -3.540 5.662 6.449 1.00 1.31 H new ATOM 1152 N TYR A 77 -4.691 10.416 3.222 1.00 0.55 N ATOM 1153 CA TYR A 77 -3.711 11.479 3.393 1.00 0.56 C ATOM 1154 C TYR A 77 -4.346 12.688 4.063 1.00 0.68 C ATOM 1155 O TYR A 77 -5.255 13.298 3.461 1.00 1.36 O ATOM 1156 CB TYR A 77 -3.061 11.885 2.078 1.00 0.55 C ATOM 1157 CG TYR A 77 -3.932 11.735 0.856 1.00 0.58 C ATOM 1158 CD1 TYR A 77 -3.818 10.608 0.069 1.00 0.52 C ATOM 1159 CD2 TYR A 77 -4.854 12.707 0.488 1.00 0.70 C ATOM 1160 CE1 TYR A 77 -4.592 10.440 -1.053 1.00 0.58 C ATOM 1161 CE2 TYR A 77 -5.640 12.547 -0.636 1.00 0.76 C ATOM 1162 CZ TYR A 77 -5.505 11.411 -1.406 1.00 0.70 C ATOM 1163 OH TYR A 77 -6.290 11.244 -2.524 1.00 0.79 O ATOM 1164 OXT TYR A 77 -3.937 13.023 5.192 1.00 1.18 O ATOM 0 H TYR A 77 -5.633 10.745 3.008 1.00 0.55 H new ATOM 0 HA TYR A 77 -2.923 11.085 4.035 1.00 0.56 H new ATOM 0 HB2 TYR A 77 -2.745 12.926 2.154 1.00 0.55 H new ATOM 0 HB3 TYR A 77 -2.160 11.288 1.937 1.00 0.55 H new ATOM 0 HD1 TYR A 77 -3.106 9.843 0.340 1.00 0.52 H new ATOM 0 HD2 TYR A 77 -4.957 13.599 1.088 1.00 0.70 H new ATOM 0 HE1 TYR A 77 -4.486 9.551 -1.657 1.00 0.58 H new ATOM 0 HE2 TYR A 77 -6.356 13.307 -0.910 1.00 0.76 H new ATOM 0 HH TYR A 77 -5.839 11.634 -3.302 1.00 0.79 H new