USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 37 ASN : amide:sc= 0.0879 K(o=0.81,f=-0.8) USER MOD Set 1.2: A 38 THR OG1 : rot 87:sc= 0.718 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 137:sc= 0.198 (180deg=-0.000342) USER MOD Set 2.2: A 27 THR OG1 : rot 114:sc= 1.48 USER MOD Set 3.1: A 9 THR OG1 : rot 94:sc= 1.37 USER MOD Set 3.2: A 49 SER OG : rot 29:sc= 1.71 USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.576 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.2 K(o=1.2,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 17 THR OG1 : rot 168:sc= 0.736 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.68) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.704 K(o=-0.7,f=-1.6) USER MOD Single : A 29 ASN : amide:sc= 0.0351 K(o=0.035,f=-0.49) USER MOD Single : A 32 LYS NZ :NH3+ 142:sc= 0.027 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0762 X(o=-0.076,f=-0.047) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.107 USER MOD Single : A 42 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.121 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 175:sc= -0.47 (180deg=-0.549) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 64 GLN : amide:sc=-0.00944 X(o=-0.0094,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 36:sc= 0.121 USER MOD Single : A 72 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-1.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 140:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 1.02 K(o=1,f=-0.0023) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.171 F(o=-1.2,f=-0.17) USER MOD Single : A 99 GLN : amide:sc= 1.05 K(o=1,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -1.219 17.891 -0.038 1.00 73.31 N ATOM 83 CA THR A 8 -0.902 16.633 -0.690 1.00 43.21 C ATOM 84 C THR A 8 -0.822 15.513 0.348 1.00 32.30 C ATOM 85 O THR A 8 -0.206 15.677 1.405 1.00 15.54 O ATOM 86 CB THR A 8 0.437 16.799 -1.442 1.00 44.13 C ATOM 87 OG1 THR A 8 1.287 17.796 -0.880 1.00 43.11 O ATOM 88 CG2 THR A 8 0.177 17.238 -2.882 1.00 13.52 C ATOM 0 HA THR A 8 -1.682 16.364 -1.403 1.00 43.21 H new ATOM 0 HB THR A 8 0.925 15.827 -1.374 1.00 44.13 H new ATOM 0 HG1 THR A 8 0.753 18.414 -0.338 1.00 43.11 H new ATOM 0 HG21 THR A 8 1.127 17.353 -3.405 1.00 13.52 H new ATOM 0 HG22 THR A 8 -0.427 16.485 -3.388 1.00 13.52 H new ATOM 0 HG23 THR A 8 -0.354 18.190 -2.882 1.00 13.52 H new ATOM 96 N THR A 9 -1.426 14.368 0.037 1.00 35.42 N ATOM 97 CA THR A 9 -1.236 13.099 0.734 1.00 15.52 C ATOM 98 C THR A 9 0.170 12.534 0.458 1.00 13.23 C ATOM 99 O THR A 9 0.872 12.961 -0.471 1.00 74.11 O ATOM 100 CB THR A 9 -2.356 12.124 0.287 1.00 34.44 C ATOM 101 OG1 THR A 9 -2.860 12.418 -1.003 1.00 55.31 O ATOM 102 CG2 THR A 9 -3.563 12.179 1.211 1.00 53.55 C ATOM 0 H THR A 9 -2.086 14.297 -0.737 1.00 35.42 H new ATOM 0 HA THR A 9 -1.305 13.243 1.812 1.00 15.52 H new ATOM 0 HB THR A 9 -1.877 11.145 0.304 1.00 34.44 H new ATOM 0 HG1 THR A 9 -2.378 11.888 -1.671 1.00 55.31 H new ATOM 0 HG21 THR A 9 -4.322 11.480 0.860 1.00 53.55 H new ATOM 0 HG22 THR A 9 -3.260 11.907 2.222 1.00 53.55 H new ATOM 0 HG23 THR A 9 -3.973 13.189 1.214 1.00 53.55 H new ATOM 110 N THR A 10 0.561 11.539 1.252 1.00 15.20 N ATOM 111 CA THR A 10 1.729 10.701 1.048 1.00 33.44 C ATOM 112 C THR A 10 1.265 9.248 1.230 1.00 72.02 C ATOM 113 O THR A 10 0.223 9.006 1.854 1.00 63.31 O ATOM 114 CB THR A 10 2.850 11.100 2.036 1.00 2.50 C ATOM 115 OG1 THR A 10 3.061 12.502 2.076 1.00 53.41 O ATOM 116 CG2 THR A 10 4.202 10.480 1.666 1.00 20.30 C ATOM 0 H THR A 10 0.043 11.288 2.094 1.00 15.20 H new ATOM 0 HA THR A 10 2.153 10.824 0.051 1.00 33.44 H new ATOM 0 HB THR A 10 2.503 10.731 3.001 1.00 2.50 H new ATOM 0 HG1 THR A 10 3.776 12.707 2.714 1.00 53.41 H new ATOM 0 HG21 THR A 10 4.955 10.791 2.390 1.00 20.30 H new ATOM 0 HG22 THR A 10 4.118 9.393 1.673 1.00 20.30 H new ATOM 0 HG23 THR A 10 4.496 10.815 0.671 1.00 20.30 H new ATOM 124 N ILE A 11 2.017 8.292 0.681 1.00 51.44 N ATOM 125 CA ILE A 11 1.761 6.865 0.787 1.00 22.40 C ATOM 126 C ILE A 11 3.009 6.220 1.403 1.00 72.02 C ATOM 127 O ILE A 11 4.134 6.719 1.268 1.00 43.22 O ATOM 128 CB ILE A 11 1.391 6.278 -0.601 1.00 53.13 C ATOM 129 CG1 ILE A 11 0.139 6.979 -1.182 1.00 54.55 C ATOM 130 CG2 ILE A 11 1.141 4.758 -0.508 1.00 0.22 C ATOM 131 CD1 ILE A 11 -0.154 6.632 -2.649 1.00 21.23 C ATOM 0 H ILE A 11 2.850 8.504 0.132 1.00 51.44 H new ATOM 0 HA ILE A 11 0.906 6.657 1.431 1.00 22.40 H new ATOM 0 HB ILE A 11 2.234 6.455 -1.268 1.00 53.13 H new ATOM 0 HG12 ILE A 11 -0.727 6.711 -0.577 1.00 54.55 H new ATOM 0 HG13 ILE A 11 0.267 8.058 -1.094 1.00 54.55 H new ATOM 0 HG21 ILE A 11 0.883 4.371 -1.494 1.00 0.22 H new ATOM 0 HG22 ILE A 11 2.042 4.262 -0.148 1.00 0.22 H new ATOM 0 HG23 ILE A 11 0.320 4.566 0.183 1.00 0.22 H new ATOM 0 HD11 ILE A 11 -1.046 7.165 -2.978 1.00 21.23 H new ATOM 0 HD12 ILE A 11 0.693 6.926 -3.269 1.00 21.23 H new ATOM 0 HD13 ILE A 11 -0.317 5.558 -2.743 1.00 21.23 H new ATOM 142 N ARG A 12 2.823 5.082 2.072 1.00 0.31 N ATOM 143 CA ARG A 12 3.909 4.207 2.474 1.00 13.23 C ATOM 144 C ARG A 12 3.499 2.776 2.192 1.00 31.11 C ATOM 145 O ARG A 12 2.367 2.388 2.487 1.00 55.24 O ATOM 146 CB ARG A 12 4.219 4.381 3.963 1.00 32.33 C ATOM 147 CG ARG A 12 5.628 3.865 4.277 1.00 4.41 C ATOM 148 CD ARG A 12 5.735 3.408 5.726 1.00 20.12 C ATOM 149 NE ARG A 12 5.750 4.545 6.664 1.00 54.44 N ATOM 150 CZ ARG A 12 6.852 5.141 7.133 1.00 24.34 C ATOM 151 NH1 ARG A 12 8.046 4.775 6.705 1.00 23.30 N ATOM 152 NH2 ARG A 12 6.751 6.116 8.026 1.00 43.43 N ATOM 0 H ARG A 12 1.902 4.744 2.350 1.00 0.31 H new ATOM 0 HA ARG A 12 4.809 4.458 1.912 1.00 13.23 H new ATOM 0 HB2 ARG A 12 4.140 5.433 4.237 1.00 32.33 H new ATOM 0 HB3 ARG A 12 3.485 3.840 4.560 1.00 32.33 H new ATOM 0 HG2 ARG A 12 5.872 3.036 3.612 1.00 4.41 H new ATOM 0 HG3 ARG A 12 6.358 4.652 4.086 1.00 4.41 H new ATOM 0 HD2 ARG A 12 4.896 2.754 5.963 1.00 20.12 H new ATOM 0 HD3 ARG A 12 6.644 2.820 5.855 1.00 20.12 H new ATOM 0 HE ARG A 12 4.850 4.906 6.980 1.00 54.44 H new ATOM 0 HH11 ARG A 12 8.134 4.032 6.011 1.00 23.30 H new ATOM 0 HH12 ARG A 12 8.881 5.235 7.068 1.00 23.30 H new ATOM 0 HH21 ARG A 12 5.832 6.412 8.356 1.00 43.43 H new ATOM 0 HH22 ARG A 12 7.592 6.570 8.383 1.00 43.43 H new ATOM 163 N LEU A 13 4.420 1.978 1.674 1.00 2.20 N ATOM 164 CA LEU A 13 4.286 0.533 1.573 1.00 31.40 C ATOM 165 C LEU A 13 5.302 -0.046 2.548 1.00 31.11 C ATOM 166 O LEU A 13 6.432 0.430 2.629 1.00 64.31 O ATOM 167 CB LEU A 13 4.550 0.077 0.125 1.00 11.40 C ATOM 168 CG LEU A 13 3.352 0.085 -0.847 1.00 23.32 C ATOM 169 CD1 LEU A 13 2.606 -1.243 -0.802 1.00 54.32 C ATOM 170 CD2 LEU A 13 2.335 1.204 -0.618 1.00 41.13 C ATOM 0 H LEU A 13 5.304 2.326 1.303 1.00 2.20 H new ATOM 0 HA LEU A 13 3.281 0.191 1.821 1.00 31.40 H new ATOM 0 HB2 LEU A 13 5.328 0.715 -0.293 1.00 11.40 H new ATOM 0 HB3 LEU A 13 4.951 -0.936 0.158 1.00 11.40 H new ATOM 0 HG LEU A 13 3.807 0.260 -1.822 1.00 23.32 H new ATOM 0 HD11 LEU A 13 1.766 -1.212 -1.496 1.00 54.32 H new ATOM 0 HD12 LEU A 13 3.282 -2.050 -1.086 1.00 54.32 H new ATOM 0 HD13 LEU A 13 2.236 -1.418 0.208 1.00 54.32 H new ATOM 0 HD21 LEU A 13 1.533 1.122 -1.351 1.00 41.13 H new ATOM 0 HD22 LEU A 13 1.919 1.118 0.386 1.00 41.13 H new ATOM 0 HD23 LEU A 13 2.827 2.171 -0.725 1.00 41.13 H new ATOM 181 N ILE A 14 4.901 -1.068 3.294 1.00 52.11 N ATOM 182 CA ILE A 14 5.723 -1.849 4.209 1.00 75.23 C ATOM 183 C ILE A 14 5.640 -3.306 3.743 1.00 42.45 C ATOM 184 O ILE A 14 4.664 -3.665 3.078 1.00 73.55 O ATOM 185 CB ILE A 14 5.179 -1.664 5.645 1.00 22.20 C ATOM 186 CG1 ILE A 14 5.008 -0.185 6.060 1.00 20.13 C ATOM 187 CG2 ILE A 14 6.092 -2.344 6.678 1.00 74.44 C ATOM 188 CD1 ILE A 14 3.607 0.372 5.799 1.00 60.55 C ATOM 0 H ILE A 14 3.934 -1.393 3.275 1.00 52.11 H new ATOM 0 HA ILE A 14 6.766 -1.531 4.213 1.00 75.23 H new ATOM 0 HB ILE A 14 4.194 -2.130 5.631 1.00 22.20 H new ATOM 0 HG12 ILE A 14 5.236 -0.087 7.121 1.00 20.13 H new ATOM 0 HG13 ILE A 14 5.736 0.421 5.520 1.00 20.13 H new ATOM 0 HG21 ILE A 14 5.683 -2.197 7.678 1.00 74.44 H new ATOM 0 HG22 ILE A 14 6.152 -3.411 6.464 1.00 74.44 H new ATOM 0 HG23 ILE A 14 7.089 -1.907 6.626 1.00 74.44 H new ATOM 0 HD11 ILE A 14 3.565 1.414 6.116 1.00 60.55 H new ATOM 0 HD12 ILE A 14 3.382 0.307 4.734 1.00 60.55 H new ATOM 0 HD13 ILE A 14 2.874 -0.208 6.361 1.00 60.55 H new ATOM 199 N ASN A 15 6.567 -4.179 4.153 1.00 32.31 N ATOM 200 CA ASN A 15 6.614 -5.574 3.713 1.00 71.31 C ATOM 201 C ASN A 15 6.737 -6.609 4.846 1.00 11.20 C ATOM 202 O ASN A 15 7.723 -7.342 4.915 1.00 62.53 O ATOM 203 CB ASN A 15 7.773 -5.698 2.722 1.00 52.44 C ATOM 204 CG ASN A 15 7.677 -7.011 1.980 1.00 63.21 C ATOM 205 OD1 ASN A 15 6.590 -7.490 1.662 1.00 54.04 O ATOM 206 ND2 ASN A 15 8.799 -7.623 1.676 1.00 71.14 N ATOM 0 H ASN A 15 7.311 -3.933 4.805 1.00 32.31 H new ATOM 0 HA ASN A 15 5.656 -5.812 3.250 1.00 71.31 H new ATOM 0 HB2 ASN A 15 7.749 -4.868 2.015 1.00 52.44 H new ATOM 0 HB3 ASN A 15 8.724 -5.638 3.252 1.00 52.44 H new ATOM 0 HD21 ASN A 15 8.776 -8.508 1.169 1.00 71.14 H new ATOM 0 HD22 ASN A 15 9.693 -7.213 1.947 1.00 71.14 H new ATOM 212 N GLN A 16 5.765 -6.691 5.757 1.00 0.02 N ATOM 213 CA GLN A 16 5.847 -7.472 6.996 1.00 61.33 C ATOM 214 C GLN A 16 5.533 -8.968 6.801 1.00 72.12 C ATOM 215 O GLN A 16 4.695 -9.545 7.499 1.00 75.15 O ATOM 216 CB GLN A 16 4.955 -6.839 8.076 1.00 24.11 C ATOM 217 CG GLN A 16 5.321 -5.376 8.380 1.00 3.30 C ATOM 218 CD GLN A 16 5.237 -5.067 9.873 1.00 23.33 C ATOM 219 OE1 GLN A 16 4.397 -5.591 10.602 1.00 42.44 O ATOM 220 NE2 GLN A 16 6.075 -4.184 10.379 1.00 35.23 N ATOM 0 H GLN A 16 4.875 -6.204 5.652 1.00 0.02 H new ATOM 0 HA GLN A 16 6.885 -7.439 7.328 1.00 61.33 H new ATOM 0 HB2 GLN A 16 3.915 -6.888 7.754 1.00 24.11 H new ATOM 0 HB3 GLN A 16 5.033 -7.425 8.992 1.00 24.11 H new ATOM 0 HG2 GLN A 16 6.331 -5.173 8.023 1.00 3.30 H new ATOM 0 HG3 GLN A 16 4.650 -4.713 7.834 1.00 3.30 H new ATOM 0 HE21 GLN A 16 6.775 -3.744 9.781 1.00 35.23 H new ATOM 0 HE22 GLN A 16 6.023 -3.940 11.368 1.00 35.23 H new ATOM 227 N THR A 17 6.232 -9.620 5.877 1.00 44.42 N ATOM 228 CA THR A 17 5.980 -11.010 5.487 1.00 72.52 C ATOM 229 C THR A 17 7.182 -11.918 5.762 1.00 52.24 C ATOM 230 O THR A 17 8.070 -11.587 6.551 1.00 15.21 O ATOM 231 CB THR A 17 5.436 -11.082 4.050 1.00 55.22 C ATOM 232 OG1 THR A 17 6.383 -10.696 3.073 1.00 4.00 O ATOM 233 CG2 THR A 17 4.176 -10.238 3.903 1.00 1.02 C ATOM 0 H THR A 17 7.005 -9.192 5.367 1.00 44.42 H new ATOM 0 HA THR A 17 5.193 -11.413 6.124 1.00 72.52 H new ATOM 0 HB THR A 17 5.200 -12.131 3.873 1.00 55.22 H new ATOM 0 HG1 THR A 17 6.057 -10.947 2.184 1.00 4.00 H new ATOM 0 HG21 THR A 17 3.811 -10.305 2.878 1.00 1.02 H new ATOM 0 HG22 THR A 17 3.410 -10.605 4.586 1.00 1.02 H new ATOM 0 HG23 THR A 17 4.405 -9.199 4.139 1.00 1.02 H new ATOM 241 N TYR A 18 7.166 -13.105 5.147 1.00 52.32 N ATOM 242 CA TYR A 18 8.303 -14.026 5.081 1.00 51.13 C ATOM 243 C TYR A 18 8.928 -14.163 3.679 1.00 55.01 C ATOM 244 O TYR A 18 9.857 -14.958 3.533 1.00 15.23 O ATOM 245 CB TYR A 18 7.949 -15.383 5.716 1.00 53.34 C ATOM 246 CG TYR A 18 7.156 -16.409 4.913 1.00 34.41 C ATOM 247 CD1 TYR A 18 6.175 -16.043 3.967 1.00 1.41 C ATOM 248 CD2 TYR A 18 7.381 -17.774 5.171 1.00 51.11 C ATOM 249 CE1 TYR A 18 5.375 -17.028 3.352 1.00 31.24 C ATOM 250 CE2 TYR A 18 6.620 -18.763 4.525 1.00 33.22 C ATOM 251 CZ TYR A 18 5.603 -18.395 3.622 1.00 20.43 C ATOM 252 OH TYR A 18 4.892 -19.370 2.992 1.00 61.43 O ATOM 0 H TYR A 18 6.338 -13.461 4.668 1.00 52.32 H new ATOM 0 HA TYR A 18 9.096 -13.575 5.678 1.00 51.13 H new ATOM 0 HB2 TYR A 18 8.884 -15.856 6.016 1.00 53.34 H new ATOM 0 HB3 TYR A 18 7.388 -15.179 6.628 1.00 53.34 H new ATOM 0 HD1 TYR A 18 6.036 -15.003 3.713 1.00 1.41 H new ATOM 0 HD2 TYR A 18 8.148 -18.065 5.874 1.00 51.11 H new ATOM 0 HE1 TYR A 18 4.587 -16.736 2.674 1.00 31.24 H new ATOM 0 HE2 TYR A 18 6.815 -19.807 4.721 1.00 33.22 H new ATOM 0 HH TYR A 18 5.191 -20.248 3.307 1.00 61.43 H new ATOM 261 N PHE A 19 8.459 -13.414 2.666 1.00 43.31 N ATOM 262 CA PHE A 19 8.890 -13.509 1.259 1.00 22.10 C ATOM 263 C PHE A 19 9.517 -12.174 0.785 1.00 64.12 C ATOM 264 O PHE A 19 10.005 -11.392 1.608 1.00 32.40 O ATOM 265 CB PHE A 19 7.793 -14.115 0.349 1.00 61.13 C ATOM 266 CG PHE A 19 6.416 -13.500 0.436 1.00 31.12 C ATOM 267 CD1 PHE A 19 6.174 -12.216 -0.069 1.00 74.12 C ATOM 268 CD2 PHE A 19 5.374 -14.199 1.067 1.00 14.33 C ATOM 269 CE1 PHE A 19 4.974 -11.552 0.236 1.00 51.44 C ATOM 270 CE2 PHE A 19 4.173 -13.547 1.363 1.00 74.42 C ATOM 271 CZ PHE A 19 3.999 -12.208 0.995 1.00 42.11 C ATOM 0 H PHE A 19 7.744 -12.700 2.809 1.00 43.31 H new ATOM 0 HA PHE A 19 9.699 -14.235 1.177 1.00 22.10 H new ATOM 0 HB2 PHE A 19 8.132 -14.043 -0.685 1.00 61.13 H new ATOM 0 HB3 PHE A 19 7.706 -15.176 0.583 1.00 61.13 H new ATOM 0 HD1 PHE A 19 6.912 -11.735 -0.694 1.00 74.12 H new ATOM 0 HD2 PHE A 19 5.500 -15.240 1.324 1.00 14.33 H new ATOM 0 HE1 PHE A 19 4.806 -10.544 -0.113 1.00 51.44 H new ATOM 0 HE2 PHE A 19 3.382 -14.075 1.874 1.00 74.42 H new ATOM 0 HZ PHE A 19 3.108 -11.679 1.298 1.00 42.11 H new ATOM 280 N ASN A 20 9.662 -11.951 -0.529 1.00 1.02 N ATOM 281 CA ASN A 20 10.059 -10.670 -1.136 1.00 11.03 C ATOM 282 C ASN A 20 8.995 -10.248 -2.162 1.00 34.43 C ATOM 283 O ASN A 20 8.303 -11.116 -2.700 1.00 53.25 O ATOM 284 CB ASN A 20 11.430 -10.840 -1.817 1.00 14.22 C ATOM 285 CG ASN A 20 11.886 -9.569 -2.508 1.00 44.43 C ATOM 286 OD1 ASN A 20 12.079 -8.554 -1.866 1.00 33.11 O ATOM 287 ND2 ASN A 20 12.090 -9.584 -3.807 1.00 31.11 N ATOM 0 H ASN A 20 9.501 -12.681 -1.223 1.00 1.02 H new ATOM 0 HA ASN A 20 10.138 -9.896 -0.372 1.00 11.03 H new ATOM 0 HB2 ASN A 20 12.170 -11.133 -1.072 1.00 14.22 H new ATOM 0 HB3 ASN A 20 11.374 -11.648 -2.546 1.00 14.22 H new ATOM 0 HD21 ASN A 20 12.412 -8.741 -4.282 1.00 31.11 H new ATOM 0 HD22 ASN A 20 11.926 -10.439 -4.339 1.00 31.11 H new ATOM 293 N VAL A 21 8.861 -8.955 -2.477 1.00 5.42 N ATOM 294 CA VAL A 21 7.912 -8.418 -3.463 1.00 21.34 C ATOM 295 C VAL A 21 8.650 -7.384 -4.328 1.00 5.04 C ATOM 296 O VAL A 21 9.351 -6.516 -3.817 1.00 24.41 O ATOM 297 CB VAL A 21 6.654 -7.844 -2.782 1.00 1.24 C ATOM 298 CG1 VAL A 21 5.730 -8.943 -2.254 1.00 44.04 C ATOM 299 CG2 VAL A 21 6.983 -6.884 -1.632 1.00 4.12 C ATOM 0 H VAL A 21 9.428 -8.229 -2.039 1.00 5.42 H new ATOM 0 HA VAL A 21 7.548 -9.217 -4.109 1.00 21.34 H new ATOM 0 HB VAL A 21 6.142 -7.286 -3.566 1.00 1.24 H new ATOM 0 HG11 VAL A 21 4.858 -8.490 -1.783 1.00 44.04 H new ATOM 0 HG12 VAL A 21 5.408 -9.576 -3.081 1.00 44.04 H new ATOM 0 HG13 VAL A 21 6.265 -9.547 -1.522 1.00 44.04 H new ATOM 0 HG21 VAL A 21 6.057 -6.513 -1.192 1.00 4.12 H new ATOM 0 HG22 VAL A 21 7.560 -7.411 -0.872 1.00 4.12 H new ATOM 0 HG23 VAL A 21 7.565 -6.045 -2.013 1.00 4.12 H new ATOM 309 N LYS A 22 8.516 -7.480 -5.654 1.00 50.11 N ATOM 310 CA LYS A 22 9.412 -6.829 -6.626 1.00 11.21 C ATOM 311 C LYS A 22 8.666 -6.114 -7.741 1.00 52.14 C ATOM 312 O LYS A 22 9.193 -5.909 -8.834 1.00 64.34 O ATOM 313 CB LYS A 22 10.457 -7.837 -7.153 1.00 21.52 C ATOM 314 CG LYS A 22 9.835 -9.078 -7.825 1.00 43.22 C ATOM 315 CD LYS A 22 9.656 -10.239 -6.839 1.00 65.35 C ATOM 316 CE LYS A 22 8.541 -11.180 -7.289 1.00 64.41 C ATOM 317 NZ LYS A 22 8.997 -12.239 -8.218 1.00 53.13 N ATOM 0 H LYS A 22 7.771 -8.020 -6.094 1.00 50.11 H new ATOM 0 HA LYS A 22 9.947 -6.038 -6.100 1.00 11.21 H new ATOM 0 HB2 LYS A 22 11.106 -7.333 -7.869 1.00 21.52 H new ATOM 0 HB3 LYS A 22 11.087 -8.160 -6.325 1.00 21.52 H new ATOM 0 HG2 LYS A 22 8.868 -8.812 -8.251 1.00 43.22 H new ATOM 0 HG3 LYS A 22 10.470 -9.399 -8.651 1.00 43.22 H new ATOM 0 HD2 LYS A 22 10.590 -10.793 -6.753 1.00 65.35 H new ATOM 0 HD3 LYS A 22 9.426 -9.846 -5.849 1.00 65.35 H new ATOM 0 HE2 LYS A 22 8.094 -11.646 -6.411 1.00 64.41 H new ATOM 0 HE3 LYS A 22 7.758 -10.596 -7.773 1.00 64.41 H new ATOM 0 HZ1 LYS A 22 8.190 -12.840 -8.482 1.00 53.13 H new ATOM 0 HZ2 LYS A 22 9.398 -11.802 -9.073 1.00 53.13 H new ATOM 0 HZ3 LYS A 22 9.724 -12.820 -7.753 1.00 53.13 H new ATOM 327 N ASN A 23 7.394 -5.790 -7.512 1.00 3.01 N ATOM 328 CA ASN A 23 6.475 -5.414 -8.576 1.00 33.30 C ATOM 329 C ASN A 23 5.151 -4.976 -7.957 1.00 63.42 C ATOM 330 O ASN A 23 4.113 -5.589 -8.228 1.00 41.22 O ATOM 331 CB ASN A 23 6.287 -6.598 -9.581 1.00 25.50 C ATOM 332 CG ASN A 23 6.094 -7.979 -8.934 1.00 45.44 C ATOM 333 OD1 ASN A 23 6.641 -8.993 -9.356 1.00 71.45 O ATOM 334 ND2 ASN A 23 5.377 -8.051 -7.830 1.00 10.01 N ATOM 0 H ASN A 23 6.975 -5.782 -6.582 1.00 3.01 H new ATOM 0 HA ASN A 23 6.884 -4.578 -9.143 1.00 33.30 H new ATOM 0 HB2 ASN A 23 5.423 -6.385 -10.211 1.00 25.50 H new ATOM 0 HB3 ASN A 23 7.157 -6.639 -10.236 1.00 25.50 H new ATOM 0 HD21 ASN A 23 5.283 -8.941 -7.340 1.00 10.01 H new ATOM 0 HD22 ASN A 23 4.916 -7.217 -7.466 1.00 10.01 H new ATOM 340 N ILE A 24 5.170 -4.009 -7.033 1.00 73.11 N ATOM 341 CA ILE A 24 3.952 -3.680 -6.295 1.00 44.15 C ATOM 342 C ILE A 24 3.294 -2.470 -6.959 1.00 34.32 C ATOM 343 O ILE A 24 3.770 -1.347 -6.773 1.00 62.52 O ATOM 344 CB ILE A 24 4.231 -3.413 -4.803 1.00 22.41 C ATOM 345 CG1 ILE A 24 5.339 -4.271 -4.156 1.00 34.54 C ATOM 346 CG2 ILE A 24 2.901 -3.584 -4.064 1.00 31.11 C ATOM 347 CD1 ILE A 24 5.594 -3.854 -2.699 1.00 45.32 C ATOM 0 H ILE A 24 5.991 -3.456 -6.785 1.00 73.11 H new ATOM 0 HA ILE A 24 3.277 -4.535 -6.328 1.00 44.15 H new ATOM 0 HB ILE A 24 4.630 -2.402 -4.723 1.00 22.41 H new ATOM 0 HG12 ILE A 24 5.053 -5.322 -4.190 1.00 34.54 H new ATOM 0 HG13 ILE A 24 6.260 -4.172 -4.731 1.00 34.54 H new ATOM 0 HG21 ILE A 24 3.050 -3.404 -2.999 1.00 31.11 H new ATOM 0 HG22 ILE A 24 2.174 -2.872 -4.454 1.00 31.11 H new ATOM 0 HG23 ILE A 24 2.530 -4.598 -4.212 1.00 31.11 H new ATOM 0 HD11 ILE A 24 6.380 -4.478 -2.274 1.00 45.32 H new ATOM 0 HD12 ILE A 24 5.904 -2.810 -2.668 1.00 45.32 H new ATOM 0 HD13 ILE A 24 4.679 -3.978 -2.120 1.00 45.32 H new ATOM 358 N LYS A 25 2.200 -2.662 -7.701 1.00 5.41 N ATOM 359 CA LYS A 25 1.340 -1.545 -8.081 1.00 42.33 C ATOM 360 C LYS A 25 0.594 -1.072 -6.844 1.00 34.54 C ATOM 361 O LYS A 25 0.259 -1.858 -5.951 1.00 14.12 O ATOM 362 CB LYS A 25 0.321 -1.942 -9.168 1.00 22.41 C ATOM 363 CG LYS A 25 0.681 -1.473 -10.588 1.00 11.21 C ATOM 364 CD LYS A 25 -0.573 -1.420 -11.476 1.00 52.03 C ATOM 365 CE LYS A 25 -1.375 -0.148 -11.159 1.00 32.13 C ATOM 366 NZ LYS A 25 -2.811 -0.261 -11.515 1.00 24.21 N ATOM 0 H LYS A 25 1.893 -3.572 -8.046 1.00 5.41 H new ATOM 0 HA LYS A 25 1.966 -0.753 -8.492 1.00 42.33 H new ATOM 0 HB2 LYS A 25 0.220 -3.027 -9.173 1.00 22.41 H new ATOM 0 HB3 LYS A 25 -0.653 -1.532 -8.901 1.00 22.41 H new ATOM 0 HG2 LYS A 25 1.144 -0.487 -10.544 1.00 11.21 H new ATOM 0 HG3 LYS A 25 1.414 -2.151 -11.025 1.00 11.21 H new ATOM 0 HD2 LYS A 25 -0.287 -1.429 -12.528 1.00 52.03 H new ATOM 0 HD3 LYS A 25 -1.189 -2.303 -11.306 1.00 52.03 H new ATOM 0 HE2 LYS A 25 -1.287 0.074 -10.096 1.00 32.13 H new ATOM 0 HE3 LYS A 25 -0.938 0.693 -11.698 1.00 32.13 H new ATOM 0 HZ1 LYS A 25 -3.391 0.145 -10.753 1.00 24.21 H new ATOM 0 HZ2 LYS A 25 -2.991 0.256 -12.400 1.00 24.21 H new ATOM 0 HZ3 LYS A 25 -3.059 -1.263 -11.642 1.00 24.21 H new ATOM 376 N VAL A 26 0.264 0.210 -6.824 1.00 21.24 N ATOM 377 CA VAL A 26 -0.714 0.786 -5.926 1.00 12.01 C ATOM 378 C VAL A 26 -1.495 1.808 -6.755 1.00 10.34 C ATOM 379 O VAL A 26 -0.897 2.488 -7.593 1.00 5.12 O ATOM 380 CB VAL A 26 0.001 1.380 -4.703 1.00 52.12 C ATOM 381 CG1 VAL A 26 0.748 2.682 -4.994 1.00 24.20 C ATOM 382 CG2 VAL A 26 -0.977 1.582 -3.540 1.00 22.31 C ATOM 0 H VAL A 26 0.684 0.895 -7.452 1.00 21.24 H new ATOM 0 HA VAL A 26 -1.415 0.057 -5.519 1.00 12.01 H new ATOM 0 HB VAL A 26 0.757 0.646 -4.423 1.00 52.12 H new ATOM 0 HG11 VAL A 26 1.226 3.039 -4.082 1.00 24.20 H new ATOM 0 HG12 VAL A 26 1.507 2.504 -5.756 1.00 24.20 H new ATOM 0 HG13 VAL A 26 0.044 3.433 -5.352 1.00 24.20 H new ATOM 0 HG21 VAL A 26 -0.446 2.004 -2.687 1.00 22.31 H new ATOM 0 HG22 VAL A 26 -1.771 2.264 -3.846 1.00 22.31 H new ATOM 0 HG23 VAL A 26 -1.411 0.623 -3.259 1.00 22.31 H new ATOM 392 N THR A 27 -2.790 1.938 -6.510 1.00 72.51 N ATOM 393 CA THR A 27 -3.687 2.846 -7.198 1.00 53.34 C ATOM 394 C THR A 27 -4.474 3.566 -6.107 1.00 5.41 C ATOM 395 O THR A 27 -5.244 2.937 -5.381 1.00 22.54 O ATOM 396 CB THR A 27 -4.586 2.064 -8.174 1.00 70.24 C ATOM 397 OG1 THR A 27 -3.902 1.020 -8.853 1.00 50.41 O ATOM 398 CG2 THR A 27 -5.250 2.998 -9.186 1.00 3.31 C ATOM 0 H THR A 27 -3.263 1.387 -5.793 1.00 72.51 H new ATOM 0 HA THR A 27 -3.157 3.576 -7.811 1.00 53.34 H new ATOM 0 HB THR A 27 -5.354 1.597 -7.558 1.00 70.24 H new ATOM 0 HG1 THR A 27 -4.270 0.154 -8.577 1.00 50.41 H new ATOM 0 HG21 THR A 27 -5.878 2.416 -9.861 1.00 3.31 H new ATOM 0 HG22 THR A 27 -5.864 3.729 -8.659 1.00 3.31 H new ATOM 0 HG23 THR A 27 -4.483 3.516 -9.761 1.00 3.31 H new ATOM 406 N TRP A 28 -4.221 4.858 -5.911 1.00 72.32 N ATOM 407 CA TRP A 28 -4.724 5.637 -4.774 1.00 33.13 C ATOM 408 C TRP A 28 -5.884 6.542 -5.181 1.00 30.20 C ATOM 409 O TRP A 28 -6.199 7.531 -4.515 1.00 73.03 O ATOM 410 CB TRP A 28 -3.567 6.443 -4.179 1.00 65.44 C ATOM 411 CG TRP A 28 -2.876 7.386 -5.119 1.00 45.51 C ATOM 412 CD1 TRP A 28 -3.203 8.670 -5.396 1.00 53.33 C ATOM 413 CD2 TRP A 28 -1.684 7.108 -5.895 1.00 33.11 C ATOM 414 NE1 TRP A 28 -2.282 9.201 -6.287 1.00 21.42 N ATOM 415 CE2 TRP A 28 -1.312 8.276 -6.619 1.00 24.30 C ATOM 416 CE3 TRP A 28 -0.893 5.959 -6.048 1.00 21.10 C ATOM 417 CZ2 TRP A 28 -0.195 8.300 -7.470 1.00 72.22 C ATOM 418 CZ3 TRP A 28 0.269 5.991 -6.837 1.00 70.21 C ATOM 419 CH2 TRP A 28 0.622 7.157 -7.545 1.00 25.43 C ATOM 0 H TRP A 28 -3.648 5.408 -6.551 1.00 72.32 H new ATOM 0 HA TRP A 28 -5.116 4.956 -4.019 1.00 33.13 H new ATOM 0 HB2 TRP A 28 -3.946 7.016 -3.333 1.00 65.44 H new ATOM 0 HB3 TRP A 28 -2.828 5.745 -3.786 1.00 65.44 H new ATOM 0 HD1 TRP A 28 -4.050 9.199 -4.986 1.00 53.33 H new ATOM 0 HE1 TRP A 28 -2.317 10.153 -6.651 1.00 21.42 H new ATOM 0 HE3 TRP A 28 -1.180 5.042 -5.555 1.00 21.10 H new ATOM 0 HZ2 TRP A 28 0.032 9.179 -8.055 1.00 72.22 H new ATOM 0 HZ3 TRP A 28 0.897 5.115 -6.901 1.00 70.21 H new ATOM 0 HH2 TRP A 28 1.520 7.173 -8.145 1.00 25.43 H new ATOM 429 N ASN A 29 -6.468 6.288 -6.345 1.00 44.21 N ATOM 430 CA ASN A 29 -7.479 7.127 -6.972 1.00 63.33 C ATOM 431 C ASN A 29 -8.091 6.375 -8.146 1.00 31.41 C ATOM 432 O ASN A 29 -7.738 5.226 -8.388 1.00 2.34 O ATOM 433 CB ASN A 29 -6.860 8.463 -7.419 1.00 34.32 C ATOM 434 CG ASN A 29 -7.714 9.597 -6.899 1.00 32.01 C ATOM 435 OD1 ASN A 29 -8.652 9.995 -7.578 1.00 71.03 O ATOM 436 ND2 ASN A 29 -7.465 10.053 -5.677 1.00 44.21 N ATOM 0 H ASN A 29 -6.242 5.461 -6.898 1.00 44.21 H new ATOM 0 HA ASN A 29 -8.268 7.356 -6.256 1.00 63.33 H new ATOM 0 HB2 ASN A 29 -5.842 8.553 -7.039 1.00 34.32 H new ATOM 0 HB3 ASN A 29 -6.799 8.505 -8.506 1.00 34.32 H new ATOM 0 HD21 ASN A 29 -8.068 10.766 -5.266 1.00 44.21 H new ATOM 0 HD22 ASN A 29 -6.671 9.691 -5.149 1.00 44.21 H new ATOM 442 N ASP A 30 -8.997 6.994 -8.896 1.00 11.20 N ATOM 443 CA ASP A 30 -9.631 6.347 -10.055 1.00 52.21 C ATOM 444 C ASP A 30 -8.804 6.431 -11.344 1.00 13.24 C ATOM 445 O ASP A 30 -9.285 6.030 -12.407 1.00 74.32 O ATOM 446 CB ASP A 30 -11.045 6.878 -10.284 1.00 73.23 C ATOM 447 CG ASP A 30 -11.086 8.227 -10.991 1.00 11.50 C ATOM 448 OD1 ASP A 30 -10.781 9.231 -10.315 1.00 72.23 O ATOM 449 OD2 ASP A 30 -11.466 8.292 -12.182 1.00 33.34 O ATOM 0 H ASP A 30 -9.315 7.948 -8.726 1.00 11.20 H new ATOM 0 HA ASP A 30 -9.687 5.289 -9.801 1.00 52.21 H new ATOM 0 HB2 ASP A 30 -11.605 6.152 -10.873 1.00 73.23 H new ATOM 0 HB3 ASP A 30 -11.551 6.966 -9.322 1.00 73.23 H new ATOM 453 N GLY A 31 -7.574 6.943 -11.256 1.00 42.45 N ATOM 454 CA GLY A 31 -6.644 7.011 -12.372 1.00 24.54 C ATOM 455 C GLY A 31 -5.299 7.596 -11.973 1.00 13.22 C ATOM 456 O GLY A 31 -4.732 8.377 -12.738 1.00 22.22 O ATOM 0 H GLY A 31 -7.196 7.327 -10.390 1.00 42.45 H new ATOM 0 HA2 GLY A 31 -6.495 6.011 -12.779 1.00 24.54 H new ATOM 0 HA3 GLY A 31 -7.079 7.617 -13.167 1.00 24.54 H new ATOM 460 N LYS A 32 -4.807 7.280 -10.773 1.00 53.31 N ATOM 461 CA LYS A 32 -3.486 7.671 -10.296 1.00 22.22 C ATOM 462 C LYS A 32 -2.879 6.419 -9.695 1.00 1.22 C ATOM 463 O LYS A 32 -3.445 5.870 -8.743 1.00 34.21 O ATOM 464 CB LYS A 32 -3.535 8.748 -9.219 1.00 23.33 C ATOM 465 CG LYS A 32 -4.002 10.134 -9.647 1.00 61.03 C ATOM 466 CD LYS A 32 -2.963 10.905 -10.467 1.00 62.31 C ATOM 467 CE LYS A 32 -3.131 10.706 -11.967 1.00 71.13 C ATOM 468 NZ LYS A 32 -2.734 11.903 -12.739 1.00 42.41 N ATOM 0 H LYS A 32 -5.332 6.731 -10.092 1.00 53.31 H new ATOM 0 HA LYS A 32 -2.912 8.085 -11.125 1.00 22.22 H new ATOM 0 HB2 LYS A 32 -4.192 8.400 -8.422 1.00 23.33 H new ATOM 0 HB3 LYS A 32 -2.537 8.844 -8.790 1.00 23.33 H new ATOM 0 HG2 LYS A 32 -4.915 10.035 -10.234 1.00 61.03 H new ATOM 0 HG3 LYS A 32 -4.255 10.713 -8.759 1.00 61.03 H new ATOM 0 HD2 LYS A 32 -3.039 11.967 -10.235 1.00 62.31 H new ATOM 0 HD3 LYS A 32 -1.964 10.585 -10.172 1.00 62.31 H new ATOM 0 HE2 LYS A 32 -2.532 9.854 -12.288 1.00 71.13 H new ATOM 0 HE3 LYS A 32 -4.171 10.464 -12.185 1.00 71.13 H new ATOM 0 HZ1 LYS A 32 -2.253 11.609 -13.613 1.00 42.41 H new ATOM 0 HZ2 LYS A 32 -3.580 12.458 -12.979 1.00 42.41 H new ATOM 0 HZ3 LYS A 32 -2.089 12.486 -12.168 1.00 42.41 H new ATOM 478 N GLU A 33 -1.770 5.971 -10.259 1.00 21.14 N ATOM 479 CA GLU A 33 -1.039 4.818 -9.776 1.00 32.12 C ATOM 480 C GLU A 33 0.450 4.996 -10.041 1.00 72.35 C ATOM 481 O GLU A 33 0.894 5.973 -10.655 1.00 1.22 O ATOM 482 CB GLU A 33 -1.600 3.497 -10.342 1.00 4.20 C ATOM 483 CG GLU A 33 -2.103 3.463 -11.784 1.00 42.14 C ATOM 484 CD GLU A 33 -0.967 3.306 -12.780 1.00 64.24 C ATOM 485 OE1 GLU A 33 -0.095 4.177 -12.884 1.00 71.21 O ATOM 486 OE2 GLU A 33 -0.837 2.199 -13.367 1.00 21.32 O ATOM 0 H GLU A 33 -1.348 6.407 -11.079 1.00 21.14 H new ATOM 0 HA GLU A 33 -1.174 4.748 -8.697 1.00 32.12 H new ATOM 0 HB2 GLU A 33 -0.820 2.741 -10.248 1.00 4.20 H new ATOM 0 HB3 GLU A 33 -2.424 3.187 -9.699 1.00 4.20 H new ATOM 0 HG2 GLU A 33 -2.806 2.639 -11.903 1.00 42.14 H new ATOM 0 HG3 GLU A 33 -2.649 4.381 -11.999 1.00 42.14 H new ATOM 491 N GLN A 34 1.208 4.036 -9.521 1.00 71.54 N ATOM 492 CA GLN A 34 2.620 3.798 -9.770 1.00 25.13 C ATOM 493 C GLN A 34 2.950 2.383 -9.284 1.00 24.50 C ATOM 494 O GLN A 34 2.187 1.792 -8.503 1.00 51.04 O ATOM 495 CB GLN A 34 3.494 4.879 -9.096 1.00 64.21 C ATOM 496 CG GLN A 34 3.672 4.808 -7.568 1.00 23.53 C ATOM 497 CD GLN A 34 5.086 4.356 -7.223 1.00 24.23 C ATOM 498 OE1 GLN A 34 6.053 5.044 -7.525 1.00 33.43 O ATOM 499 NE2 GLN A 34 5.264 3.188 -6.641 1.00 21.53 N ATOM 0 H GLN A 34 0.820 3.356 -8.867 1.00 71.54 H new ATOM 0 HA GLN A 34 2.839 3.867 -10.835 1.00 25.13 H new ATOM 0 HB2 GLN A 34 4.484 4.841 -9.551 1.00 64.21 H new ATOM 0 HB3 GLN A 34 3.069 5.853 -9.339 1.00 64.21 H new ATOM 0 HG2 GLN A 34 3.477 5.785 -7.126 1.00 23.53 H new ATOM 0 HG3 GLN A 34 2.947 4.115 -7.142 1.00 23.53 H new ATOM 0 HE21 GLN A 34 4.458 2.615 -6.390 1.00 21.53 H new ATOM 0 HE22 GLN A 34 6.208 2.856 -6.442 1.00 21.53 H new ATOM 506 N THR A 35 4.109 1.853 -9.666 1.00 70.14 N ATOM 507 CA THR A 35 4.628 0.609 -9.114 1.00 74.25 C ATOM 508 C THR A 35 6.063 0.830 -8.659 1.00 71.14 C ATOM 509 O THR A 35 6.823 1.587 -9.275 1.00 73.53 O ATOM 510 CB THR A 35 4.395 -0.593 -10.053 1.00 61.13 C ATOM 511 OG1 THR A 35 5.190 -1.705 -9.694 1.00 51.24 O ATOM 512 CG2 THR A 35 4.583 -0.237 -11.520 1.00 65.24 C ATOM 0 H THR A 35 4.715 2.277 -10.369 1.00 70.14 H new ATOM 0 HA THR A 35 4.065 0.325 -8.225 1.00 74.25 H new ATOM 0 HB THR A 35 3.350 -0.875 -9.926 1.00 61.13 H new ATOM 0 HG1 THR A 35 5.013 -2.446 -10.310 1.00 51.24 H new ATOM 0 HG21 THR A 35 4.407 -1.120 -12.134 1.00 65.24 H new ATOM 0 HG22 THR A 35 3.877 0.545 -11.798 1.00 65.24 H new ATOM 0 HG23 THR A 35 5.601 0.119 -11.680 1.00 65.24 H new ATOM 520 N VAL A 36 6.429 0.191 -7.551 1.00 21.11 N ATOM 521 CA VAL A 36 7.732 0.299 -6.940 1.00 22.22 C ATOM 522 C VAL A 36 8.732 -0.604 -7.662 1.00 12.32 C ATOM 523 O VAL A 36 8.355 -1.499 -8.427 1.00 63.13 O ATOM 524 CB VAL A 36 7.618 -0.053 -5.450 1.00 64.34 C ATOM 525 CG1 VAL A 36 6.647 0.860 -4.685 1.00 50.45 C ATOM 526 CG2 VAL A 36 7.283 -1.503 -5.169 1.00 24.41 C ATOM 0 H VAL A 36 5.801 -0.433 -7.045 1.00 21.11 H new ATOM 0 HA VAL A 36 8.101 1.321 -7.025 1.00 22.22 H new ATOM 0 HB VAL A 36 8.628 0.121 -5.078 1.00 64.34 H new ATOM 0 HG11 VAL A 36 6.612 0.558 -3.638 1.00 50.45 H new ATOM 0 HG12 VAL A 36 6.988 1.893 -4.754 1.00 50.45 H new ATOM 0 HG13 VAL A 36 5.651 0.777 -5.120 1.00 50.45 H new ATOM 0 HG21 VAL A 36 7.223 -1.660 -4.092 1.00 24.41 H new ATOM 0 HG22 VAL A 36 6.325 -1.750 -5.626 1.00 24.41 H new ATOM 0 HG23 VAL A 36 8.060 -2.143 -5.586 1.00 24.41 H new ATOM 536 N ASN A 37 10.015 -0.404 -7.381 1.00 31.30 N ATOM 537 CA ASN A 37 11.056 -1.383 -7.651 1.00 30.40 C ATOM 538 C ASN A 37 10.776 -2.636 -6.809 1.00 5.21 C ATOM 539 O ASN A 37 10.082 -3.532 -7.286 1.00 44.13 O ATOM 540 CB ASN A 37 12.420 -0.725 -7.397 1.00 45.05 C ATOM 541 CG ASN A 37 13.520 -1.708 -7.022 1.00 44.14 C ATOM 542 OD1 ASN A 37 13.790 -2.671 -7.732 1.00 61.34 O ATOM 543 ND2 ASN A 37 14.122 -1.509 -5.862 1.00 64.55 N ATOM 0 H ASN A 37 10.363 0.454 -6.954 1.00 31.30 H new ATOM 0 HA ASN A 37 11.067 -1.713 -8.690 1.00 30.40 H new ATOM 0 HB2 ASN A 37 12.722 -0.181 -8.292 1.00 45.05 H new ATOM 0 HB3 ASN A 37 12.315 0.009 -6.598 1.00 45.05 H new ATOM 0 HD21 ASN A 37 14.832 -2.165 -5.536 1.00 64.55 H new ATOM 0 HD22 ASN A 37 13.877 -0.699 -5.293 1.00 64.55 H new ATOM 549 N THR A 38 11.219 -2.686 -5.554 1.00 34.20 N ATOM 550 CA THR A 38 11.242 -3.886 -4.728 1.00 42.15 C ATOM 551 C THR A 38 11.073 -3.458 -3.270 1.00 54.24 C ATOM 552 O THR A 38 11.259 -2.283 -2.940 1.00 21.51 O ATOM 553 CB THR A 38 12.560 -4.665 -5.006 1.00 65.13 C ATOM 554 OG1 THR A 38 12.673 -4.956 -6.390 1.00 25.11 O ATOM 555 CG2 THR A 38 12.701 -6.014 -4.281 1.00 12.41 C ATOM 0 H THR A 38 11.583 -1.865 -5.071 1.00 34.20 H new ATOM 0 HA THR A 38 10.426 -4.569 -4.964 1.00 42.15 H new ATOM 0 HB THR A 38 13.336 -3.997 -4.632 1.00 65.13 H new ATOM 0 HG1 THR A 38 13.096 -4.201 -6.850 1.00 25.11 H new ATOM 0 HG21 THR A 38 13.654 -6.471 -4.545 1.00 12.41 H new ATOM 0 HG22 THR A 38 12.662 -5.854 -3.204 1.00 12.41 H new ATOM 0 HG23 THR A 38 11.887 -6.674 -4.579 1.00 12.41 H new ATOM 563 N LEU A 39 10.679 -4.397 -2.416 1.00 1.13 N ATOM 564 CA LEU A 39 10.588 -4.237 -0.978 1.00 75.22 C ATOM 565 C LEU A 39 11.141 -5.510 -0.380 1.00 20.30 C ATOM 566 O LEU A 39 10.532 -6.574 -0.503 1.00 1.34 O ATOM 567 CB LEU A 39 9.136 -3.970 -0.542 1.00 72.41 C ATOM 568 CG LEU A 39 8.936 -2.869 0.505 1.00 22.43 C ATOM 569 CD1 LEU A 39 9.697 -1.592 0.158 1.00 71.42 C ATOM 570 CD2 LEU A 39 7.444 -2.511 0.569 1.00 12.41 C ATOM 0 H LEU A 39 10.404 -5.329 -2.726 1.00 1.13 H new ATOM 0 HA LEU A 39 11.157 -3.375 -0.632 1.00 75.22 H new ATOM 0 HB2 LEU A 39 8.555 -3.711 -1.427 1.00 72.41 H new ATOM 0 HB3 LEU A 39 8.721 -4.897 -0.148 1.00 72.41 H new ATOM 0 HG LEU A 39 9.310 -3.253 1.454 1.00 22.43 H new ATOM 0 HD11 LEU A 39 9.522 -0.843 0.931 1.00 71.42 H new ATOM 0 HD12 LEU A 39 10.763 -1.809 0.097 1.00 71.42 H new ATOM 0 HD13 LEU A 39 9.349 -1.211 -0.802 1.00 71.42 H new ATOM 0 HD21 LEU A 39 7.289 -1.728 1.311 1.00 12.41 H new ATOM 0 HD22 LEU A 39 7.113 -2.156 -0.407 1.00 12.41 H new ATOM 0 HD23 LEU A 39 6.870 -3.394 0.848 1.00 12.41 H new ATOM 581 N GLY A 40 12.326 -5.391 0.209 1.00 4.11 N ATOM 582 CA GLY A 40 13.000 -6.486 0.889 1.00 22.54 C ATOM 583 C GLY A 40 12.213 -6.945 2.115 1.00 60.41 C ATOM 584 O GLY A 40 11.143 -6.414 2.430 1.00 62.31 O ATOM 0 H GLY A 40 12.851 -4.517 0.226 1.00 4.11 H new ATOM 0 HA2 GLY A 40 13.126 -7.322 0.201 1.00 22.54 H new ATOM 0 HA3 GLY A 40 13.998 -6.170 1.192 1.00 22.54 H new ATOM 588 N SER A 41 12.705 -7.970 2.801 1.00 40.44 N ATOM 589 CA SER A 41 12.005 -8.568 3.927 1.00 1.21 C ATOM 590 C SER A 41 11.845 -7.543 5.052 1.00 24.30 C ATOM 591 O SER A 41 12.838 -6.941 5.468 1.00 62.13 O ATOM 592 CB SER A 41 12.748 -9.831 4.368 1.00 52.34 C ATOM 593 OG SER A 41 14.142 -9.790 4.103 1.00 63.53 O ATOM 0 H SER A 41 13.601 -8.409 2.590 1.00 40.44 H new ATOM 0 HA SER A 41 10.998 -8.867 3.636 1.00 1.21 H new ATOM 0 HB2 SER A 41 12.594 -9.979 5.437 1.00 52.34 H new ATOM 0 HB3 SER A 41 12.315 -10.693 3.861 1.00 52.34 H new ATOM 0 HG SER A 41 14.558 -10.623 4.409 1.00 63.53 H new ATOM 598 N HIS A 42 10.601 -7.334 5.505 1.00 61.41 N ATOM 599 CA HIS A 42 10.216 -6.317 6.482 1.00 13.12 C ATOM 600 C HIS A 42 10.585 -4.887 6.066 1.00 42.41 C ATOM 601 O HIS A 42 10.513 -3.983 6.903 1.00 24.12 O ATOM 602 CB HIS A 42 10.647 -6.719 7.907 1.00 2.32 C ATOM 603 CG HIS A 42 9.508 -7.311 8.698 1.00 1.02 C ATOM 604 ND1 HIS A 42 8.648 -6.612 9.514 1.00 32.20 N ATOM 605 CD2 HIS A 42 9.102 -8.617 8.688 1.00 51.42 C ATOM 606 CE1 HIS A 42 7.763 -7.487 10.017 1.00 73.31 C ATOM 607 NE2 HIS A 42 7.982 -8.719 9.524 1.00 11.20 N ATOM 0 H HIS A 42 9.809 -7.892 5.186 1.00 61.41 H new ATOM 0 HA HIS A 42 9.127 -6.283 6.503 1.00 13.12 H new ATOM 0 HB2 HIS A 42 11.461 -7.441 7.849 1.00 2.32 H new ATOM 0 HB3 HIS A 42 11.034 -5.844 8.429 1.00 2.32 H new ATOM 0 HD2 HIS A 42 9.561 -9.424 8.136 1.00 51.42 H new ATOM 0 HE1 HIS A 42 6.983 -7.236 10.720 1.00 73.31 H new ATOM 0 HE2 HIS A 42 7.440 -9.561 9.720 1.00 11.20 H new ATOM 614 N ASP A 43 10.936 -4.641 4.796 1.00 23.24 N ATOM 615 CA ASP A 43 11.322 -3.314 4.324 1.00 55.41 C ATOM 616 C ASP A 43 10.138 -2.358 4.276 1.00 22.54 C ATOM 617 O ASP A 43 8.989 -2.728 4.548 1.00 55.44 O ATOM 618 CB ASP A 43 11.998 -3.347 2.945 1.00 14.33 C ATOM 619 CG ASP A 43 13.247 -2.483 2.862 1.00 15.30 C ATOM 620 OD1 ASP A 43 13.246 -1.326 3.339 1.00 43.23 O ATOM 621 OD2 ASP A 43 14.243 -2.944 2.258 1.00 12.00 O ATOM 0 H ASP A 43 10.959 -5.359 4.072 1.00 23.24 H new ATOM 0 HA ASP A 43 12.046 -2.950 5.053 1.00 55.41 H new ATOM 0 HB2 ASP A 43 12.261 -4.377 2.702 1.00 14.33 H new ATOM 0 HB3 ASP A 43 11.285 -3.014 2.191 1.00 14.33 H new ATOM 625 N SER A 44 10.423 -1.127 3.875 1.00 51.45 N ATOM 626 CA SER A 44 9.423 -0.107 3.636 1.00 60.41 C ATOM 627 C SER A 44 9.913 0.890 2.588 1.00 11.24 C ATOM 628 O SER A 44 11.111 1.011 2.330 1.00 55.41 O ATOM 629 CB SER A 44 9.064 0.544 4.974 1.00 14.24 C ATOM 630 OG SER A 44 10.227 1.031 5.642 1.00 51.34 O ATOM 0 H SER A 44 11.377 -0.807 3.705 1.00 51.45 H new ATOM 0 HA SER A 44 8.514 -0.544 3.223 1.00 60.41 H new ATOM 0 HB2 SER A 44 8.368 1.366 4.806 1.00 14.24 H new ATOM 0 HB3 SER A 44 8.554 -0.181 5.609 1.00 14.24 H new ATOM 0 HG SER A 44 9.967 1.443 6.492 1.00 51.34 H new ATOM 635 N ILE A 45 8.968 1.582 1.962 1.00 54.34 N ATOM 636 CA ILE A 45 9.187 2.565 0.914 1.00 4.12 C ATOM 637 C ILE A 45 8.091 3.613 1.063 1.00 14.22 C ATOM 638 O ILE A 45 6.938 3.295 1.363 1.00 55.12 O ATOM 639 CB ILE A 45 9.216 1.872 -0.471 1.00 53.02 C ATOM 640 CG1 ILE A 45 9.568 2.870 -1.589 1.00 4.24 C ATOM 641 CG2 ILE A 45 7.903 1.134 -0.800 1.00 51.21 C ATOM 642 CD1 ILE A 45 9.747 2.206 -2.955 1.00 1.11 C ATOM 0 H ILE A 45 7.980 1.465 2.185 1.00 54.34 H new ATOM 0 HA ILE A 45 10.154 3.060 1.000 1.00 4.12 H new ATOM 0 HB ILE A 45 10.001 1.118 -0.415 1.00 53.02 H new ATOM 0 HG12 ILE A 45 8.781 3.621 -1.658 1.00 4.24 H new ATOM 0 HG13 ILE A 45 10.486 3.394 -1.324 1.00 4.24 H new ATOM 0 HG21 ILE A 45 7.984 0.669 -1.782 1.00 51.21 H new ATOM 0 HG22 ILE A 45 7.719 0.366 -0.049 1.00 51.21 H new ATOM 0 HG23 ILE A 45 7.077 1.845 -0.802 1.00 51.21 H new ATOM 0 HD11 ILE A 45 9.994 2.964 -3.698 1.00 1.11 H new ATOM 0 HD12 ILE A 45 10.553 1.475 -2.901 1.00 1.11 H new ATOM 0 HD13 ILE A 45 8.822 1.705 -3.240 1.00 1.11 H new ATOM 653 N ASP A 46 8.456 4.861 0.821 1.00 74.32 N ATOM 654 CA ASP A 46 7.650 6.056 1.028 1.00 41.23 C ATOM 655 C ASP A 46 7.662 6.825 -0.281 1.00 1.41 C ATOM 656 O ASP A 46 8.724 7.029 -0.876 1.00 2.14 O ATOM 657 CB ASP A 46 8.138 6.922 2.211 1.00 4.43 C ATOM 658 CG ASP A 46 9.605 6.767 2.627 1.00 64.33 C ATOM 659 OD1 ASP A 46 10.533 7.180 1.895 1.00 32.44 O ATOM 660 OD2 ASP A 46 9.844 6.247 3.749 1.00 2.20 O ATOM 0 H ASP A 46 9.381 5.082 0.452 1.00 74.32 H new ATOM 0 HA ASP A 46 6.635 5.771 1.304 1.00 41.23 H new ATOM 0 HB2 ASP A 46 7.966 7.968 1.959 1.00 4.43 H new ATOM 0 HB3 ASP A 46 7.515 6.696 3.076 1.00 4.43 H new ATOM 664 N PHE A 47 6.480 7.173 -0.781 1.00 32.22 N ATOM 665 CA PHE A 47 6.347 7.893 -2.045 1.00 75.41 C ATOM 666 C PHE A 47 5.078 8.743 -2.032 1.00 33.30 C ATOM 667 O PHE A 47 4.190 8.573 -1.192 1.00 54.23 O ATOM 668 CB PHE A 47 6.366 6.929 -3.246 1.00 51.24 C ATOM 669 CG PHE A 47 5.374 5.798 -3.133 1.00 23.40 C ATOM 670 CD1 PHE A 47 5.708 4.660 -2.374 1.00 70.35 C ATOM 671 CD2 PHE A 47 4.116 5.894 -3.747 1.00 62.35 C ATOM 672 CE1 PHE A 47 4.775 3.630 -2.205 1.00 43.44 C ATOM 673 CE2 PHE A 47 3.185 4.860 -3.581 1.00 64.12 C ATOM 674 CZ PHE A 47 3.514 3.734 -2.805 1.00 42.05 C ATOM 0 H PHE A 47 5.591 6.966 -0.325 1.00 32.22 H new ATOM 0 HA PHE A 47 7.205 8.556 -2.156 1.00 75.41 H new ATOM 0 HB2 PHE A 47 6.159 7.492 -4.156 1.00 51.24 H new ATOM 0 HB3 PHE A 47 7.368 6.512 -3.350 1.00 51.24 H new ATOM 0 HD1 PHE A 47 6.685 4.582 -1.921 1.00 70.35 H new ATOM 0 HD2 PHE A 47 3.867 6.759 -4.344 1.00 62.35 H new ATOM 0 HE1 PHE A 47 5.026 2.761 -1.616 1.00 43.44 H new ATOM 0 HE2 PHE A 47 2.214 4.928 -4.049 1.00 64.12 H new ATOM 0 HZ PHE A 47 2.789 2.944 -2.671 1.00 42.05 H new ATOM 683 N SER A 48 5.010 9.695 -2.957 1.00 25.43 N ATOM 684 CA SER A 48 3.950 10.676 -3.028 1.00 54.34 C ATOM 685 C SER A 48 2.689 10.073 -3.646 1.00 43.55 C ATOM 686 O SER A 48 2.764 9.074 -4.359 1.00 1.50 O ATOM 687 CB SER A 48 4.457 11.820 -3.908 1.00 1.20 C ATOM 688 OG SER A 48 5.280 11.378 -4.988 1.00 24.33 O ATOM 0 H SER A 48 5.710 9.802 -3.692 1.00 25.43 H new ATOM 0 HA SER A 48 3.693 11.025 -2.028 1.00 54.34 H new ATOM 0 HB2 SER A 48 3.604 12.366 -4.310 1.00 1.20 H new ATOM 0 HB3 SER A 48 5.022 12.520 -3.292 1.00 1.20 H new ATOM 0 HG SER A 48 5.572 12.151 -5.515 1.00 24.33 H new ATOM 693 N SER A 49 1.565 10.772 -3.511 1.00 4.22 N ATOM 694 CA SER A 49 0.374 10.581 -4.311 1.00 25.10 C ATOM 695 C SER A 49 0.145 11.891 -5.055 1.00 44.32 C ATOM 696 O SER A 49 0.081 12.928 -4.393 1.00 50.42 O ATOM 697 CB SER A 49 -0.790 10.278 -3.367 1.00 31.14 C ATOM 698 OG SER A 49 -0.866 11.278 -2.366 1.00 11.22 O ATOM 0 H SER A 49 1.462 11.511 -2.815 1.00 4.22 H new ATOM 0 HA SER A 49 0.466 9.757 -5.019 1.00 25.10 H new ATOM 0 HB2 SER A 49 -1.724 10.239 -3.927 1.00 31.14 H new ATOM 0 HB3 SER A 49 -0.653 9.299 -2.907 1.00 31.14 H new ATOM 0 HG SER A 49 -0.511 12.121 -2.718 1.00 11.22 H new ATOM 703 N ASP A 50 -0.016 11.865 -6.379 1.00 33.31 N ATOM 704 CA ASP A 50 -0.336 13.033 -7.222 1.00 42.45 C ATOM 705 C ASP A 50 -1.799 13.475 -7.034 1.00 34.32 C ATOM 706 O ASP A 50 -2.536 13.681 -8.001 1.00 34.03 O ATOM 707 CB ASP A 50 -0.061 12.666 -8.687 1.00 33.02 C ATOM 708 CG ASP A 50 -0.151 13.854 -9.654 1.00 52.41 C ATOM 709 OD1 ASP A 50 0.361 14.960 -9.341 1.00 13.14 O ATOM 710 OD2 ASP A 50 -0.703 13.680 -10.761 1.00 42.14 O ATOM 0 H ASP A 50 0.075 11.004 -6.918 1.00 33.31 H new ATOM 0 HA ASP A 50 0.291 13.874 -6.927 1.00 42.45 H new ATOM 0 HB2 ASP A 50 0.933 12.225 -8.760 1.00 33.02 H new ATOM 0 HB3 ASP A 50 -0.772 11.901 -8.999 1.00 33.02 H new ATOM 714 N ALA A 51 -2.265 13.541 -5.787 1.00 21.20 N ATOM 715 CA ALA A 51 -3.639 13.793 -5.397 1.00 12.11 C ATOM 716 C ALA A 51 -3.651 14.536 -4.059 1.00 41.55 C ATOM 717 O ALA A 51 -2.650 14.542 -3.338 1.00 2.14 O ATOM 718 CB ALA A 51 -4.366 12.447 -5.307 1.00 74.31 C ATOM 0 H ALA A 51 -1.653 13.412 -4.981 1.00 21.20 H new ATOM 0 HA ALA A 51 -4.152 14.417 -6.129 1.00 12.11 H new ATOM 0 HB1 ALA A 51 -5.403 12.612 -5.015 1.00 74.31 H new ATOM 0 HB2 ALA A 51 -4.337 11.952 -6.278 1.00 74.31 H new ATOM 0 HB3 ALA A 51 -3.876 11.818 -4.564 1.00 74.31 H new ATOM 724 N GLY A 52 -4.799 15.119 -3.717 1.00 11.21 N ATOM 725 CA GLY A 52 -4.993 15.851 -2.468 1.00 25.24 C ATOM 726 C GLY A 52 -5.755 15.047 -1.406 1.00 73.21 C ATOM 727 O GLY A 52 -5.889 15.503 -0.268 1.00 44.42 O ATOM 0 H GLY A 52 -5.630 15.095 -4.307 1.00 11.21 H new ATOM 0 HA2 GLY A 52 -4.020 16.138 -2.068 1.00 25.24 H new ATOM 0 HA3 GLY A 52 -5.537 16.773 -2.676 1.00 25.24 H new ATOM 731 N SER A 53 -6.288 13.874 -1.746 1.00 1.43 N ATOM 732 CA SER A 53 -6.890 12.945 -0.802 1.00 21.00 C ATOM 733 C SER A 53 -6.852 11.539 -1.393 1.00 22.42 C ATOM 734 O SER A 53 -6.725 11.366 -2.614 1.00 73.31 O ATOM 735 CB SER A 53 -8.326 13.365 -0.443 1.00 73.14 C ATOM 736 OG SER A 53 -9.064 13.880 -1.541 1.00 33.04 O ATOM 0 H SER A 53 -6.312 13.539 -2.709 1.00 1.43 H new ATOM 0 HA SER A 53 -6.318 12.957 0.126 1.00 21.00 H new ATOM 0 HB2 SER A 53 -8.855 12.504 -0.034 1.00 73.14 H new ATOM 0 HB3 SER A 53 -8.288 14.119 0.343 1.00 73.14 H new ATOM 0 HG SER A 53 -9.965 14.125 -1.243 1.00 33.04 H new ATOM 741 N VAL A 54 -6.971 10.535 -0.524 1.00 55.41 N ATOM 742 CA VAL A 54 -6.947 9.129 -0.883 1.00 3.43 C ATOM 743 C VAL A 54 -7.964 8.417 0.014 1.00 33.13 C ATOM 744 O VAL A 54 -7.672 8.065 1.152 1.00 31.13 O ATOM 745 CB VAL A 54 -5.511 8.560 -0.757 1.00 14.51 C ATOM 746 CG1 VAL A 54 -5.490 7.064 -1.092 1.00 32.40 C ATOM 747 CG2 VAL A 54 -4.505 9.261 -1.686 1.00 42.53 C ATOM 0 H VAL A 54 -7.090 10.689 0.477 1.00 55.41 H new ATOM 0 HA VAL A 54 -7.227 8.973 -1.925 1.00 3.43 H new ATOM 0 HB VAL A 54 -5.215 8.735 0.277 1.00 14.51 H new ATOM 0 HG11 VAL A 54 -4.473 6.684 -0.997 1.00 32.40 H new ATOM 0 HG12 VAL A 54 -6.143 6.528 -0.403 1.00 32.40 H new ATOM 0 HG13 VAL A 54 -5.839 6.915 -2.114 1.00 32.40 H new ATOM 0 HG21 VAL A 54 -3.518 8.819 -1.553 1.00 42.53 H new ATOM 0 HG22 VAL A 54 -4.820 9.139 -2.722 1.00 42.53 H new ATOM 0 HG23 VAL A 54 -4.463 10.323 -1.442 1.00 42.53 H new ATOM 757 N TYR A 55 -9.179 8.203 -0.513 1.00 71.01 N ATOM 758 CA TYR A 55 -10.201 7.378 0.141 1.00 21.24 C ATOM 759 C TYR A 55 -10.196 5.913 -0.334 1.00 53.32 C ATOM 760 O TYR A 55 -10.975 5.103 0.171 1.00 44.21 O ATOM 761 CB TYR A 55 -11.597 8.015 0.017 1.00 53.21 C ATOM 762 CG TYR A 55 -12.292 7.976 -1.338 1.00 72.01 C ATOM 763 CD1 TYR A 55 -11.579 7.779 -2.531 1.00 43.33 C ATOM 764 CD2 TYR A 55 -13.675 8.210 -1.405 1.00 20.14 C ATOM 765 CE1 TYR A 55 -12.205 7.872 -3.776 1.00 11.20 C ATOM 766 CE2 TYR A 55 -14.323 8.300 -2.652 1.00 64.45 C ATOM 767 CZ TYR A 55 -13.588 8.140 -3.849 1.00 23.14 C ATOM 768 OH TYR A 55 -14.201 8.230 -5.060 1.00 34.11 O ATOM 0 H TYR A 55 -9.479 8.598 -1.404 1.00 71.01 H new ATOM 0 HA TYR A 55 -9.939 7.347 1.199 1.00 21.24 H new ATOM 0 HB2 TYR A 55 -12.250 7.526 0.740 1.00 53.21 H new ATOM 0 HB3 TYR A 55 -11.514 9.059 0.318 1.00 53.21 H new ATOM 0 HD1 TYR A 55 -10.524 7.551 -2.485 1.00 43.33 H new ATOM 0 HD2 TYR A 55 -14.245 8.322 -0.495 1.00 20.14 H new ATOM 0 HE1 TYR A 55 -11.631 7.739 -4.681 1.00 11.20 H new ATOM 0 HE2 TYR A 55 -15.385 8.492 -2.694 1.00 64.45 H new ATOM 0 HH TYR A 55 -15.154 8.418 -4.931 1.00 34.11 H new ATOM 777 N LYS A 56 -9.360 5.542 -1.311 1.00 41.12 N ATOM 778 CA LYS A 56 -9.268 4.182 -1.843 1.00 20.41 C ATOM 779 C LYS A 56 -7.824 3.865 -2.187 1.00 0.33 C ATOM 780 O LYS A 56 -7.089 4.758 -2.604 1.00 70.12 O ATOM 781 CB LYS A 56 -10.201 4.017 -3.058 1.00 30.14 C ATOM 782 CG LYS A 56 -9.844 4.918 -4.259 1.00 32.50 C ATOM 783 CD LYS A 56 -10.920 4.937 -5.354 1.00 22.31 C ATOM 784 CE LYS A 56 -10.762 3.801 -6.372 1.00 12.24 C ATOM 785 NZ LYS A 56 -11.914 3.731 -7.295 1.00 11.02 N ATOM 0 H LYS A 56 -8.717 6.193 -1.761 1.00 41.12 H new ATOM 0 HA LYS A 56 -9.597 3.470 -1.086 1.00 20.41 H new ATOM 0 HB2 LYS A 56 -10.178 2.976 -3.380 1.00 30.14 H new ATOM 0 HB3 LYS A 56 -11.224 4.233 -2.748 1.00 30.14 H new ATOM 0 HG2 LYS A 56 -9.681 5.935 -3.904 1.00 32.50 H new ATOM 0 HG3 LYS A 56 -8.903 4.577 -4.691 1.00 32.50 H new ATOM 0 HD2 LYS A 56 -11.904 4.867 -4.890 1.00 22.31 H new ATOM 0 HD3 LYS A 56 -10.882 5.893 -5.876 1.00 22.31 H new ATOM 0 HE2 LYS A 56 -9.846 3.949 -6.944 1.00 12.24 H new ATOM 0 HE3 LYS A 56 -10.659 2.852 -5.846 1.00 12.24 H new ATOM 0 HZ1 LYS A 56 -11.772 2.952 -7.969 1.00 11.02 H new ATOM 0 HZ2 LYS A 56 -12.785 3.565 -6.751 1.00 11.02 H new ATOM 0 HZ3 LYS A 56 -11.997 4.628 -7.815 1.00 11.02 H new ATOM 795 N MET A 57 -7.429 2.609 -2.005 1.00 0.04 N ATOM 796 CA MET A 57 -6.081 2.127 -2.255 1.00 13.11 C ATOM 797 C MET A 57 -6.219 0.707 -2.769 1.00 32.51 C ATOM 798 O MET A 57 -6.468 -0.240 -2.026 1.00 34.14 O ATOM 799 CB MET A 57 -5.216 2.232 -0.995 1.00 31.24 C ATOM 800 CG MET A 57 -3.797 1.729 -1.275 1.00 64.44 C ATOM 801 SD MET A 57 -2.514 2.523 -0.284 1.00 75.41 S ATOM 802 CE MET A 57 -2.413 4.116 -1.131 1.00 43.41 C ATOM 0 H MET A 57 -8.058 1.880 -1.670 1.00 0.04 H new ATOM 0 HA MET A 57 -5.566 2.735 -2.999 1.00 13.11 H new ATOM 0 HB2 MET A 57 -5.181 3.267 -0.656 1.00 31.24 H new ATOM 0 HB3 MET A 57 -5.663 1.648 -0.190 1.00 31.24 H new ATOM 0 HG2 MET A 57 -3.764 0.654 -1.096 1.00 64.44 H new ATOM 0 HG3 MET A 57 -3.572 1.884 -2.330 1.00 64.44 H new ATOM 0 HE1 MET A 57 -1.727 4.771 -0.594 1.00 43.41 H new ATOM 0 HE2 MET A 57 -2.050 3.965 -2.147 1.00 43.41 H new ATOM 0 HE3 MET A 57 -3.401 4.574 -1.163 1.00 43.41 H new ATOM 810 N ASP A 58 -6.118 0.563 -4.080 1.00 51.01 N ATOM 811 CA ASP A 58 -6.031 -0.719 -4.748 1.00 22.41 C ATOM 812 C ASP A 58 -4.572 -1.093 -4.756 1.00 2.03 C ATOM 813 O ASP A 58 -3.727 -0.334 -5.218 1.00 53.03 O ATOM 814 CB ASP A 58 -6.680 -0.651 -6.127 1.00 72.11 C ATOM 815 CG ASP A 58 -6.001 -1.522 -7.178 1.00 1.04 C ATOM 816 OD1 ASP A 58 -6.036 -2.756 -7.010 1.00 74.22 O ATOM 817 OD2 ASP A 58 -5.538 -0.943 -8.186 1.00 1.32 O ATOM 0 H ASP A 58 -6.094 1.355 -4.722 1.00 51.01 H new ATOM 0 HA ASP A 58 -6.587 -1.503 -4.233 1.00 22.41 H new ATOM 0 HB2 ASP A 58 -7.724 -0.952 -6.041 1.00 72.11 H new ATOM 0 HB3 ASP A 58 -6.674 0.384 -6.469 1.00 72.11 H new ATOM 821 N VAL A 59 -4.277 -2.212 -4.115 1.00 12.42 N ATOM 822 CA VAL A 59 -2.941 -2.770 -4.092 1.00 30.12 C ATOM 823 C VAL A 59 -3.013 -3.890 -5.125 1.00 10.34 C ATOM 824 O VAL A 59 -4.044 -4.573 -5.231 1.00 33.12 O ATOM 825 CB VAL A 59 -2.599 -3.375 -2.714 1.00 71.13 C ATOM 826 CG1 VAL A 59 -3.102 -2.510 -1.554 1.00 64.21 C ATOM 827 CG2 VAL A 59 -2.983 -4.822 -2.484 1.00 71.25 C ATOM 0 H VAL A 59 -4.963 -2.759 -3.595 1.00 12.42 H new ATOM 0 HA VAL A 59 -2.180 -2.016 -4.295 1.00 30.12 H new ATOM 0 HB VAL A 59 -1.509 -3.377 -2.736 1.00 71.13 H new ATOM 0 HG11 VAL A 59 -2.836 -2.980 -0.607 1.00 64.21 H new ATOM 0 HG12 VAL A 59 -2.643 -1.523 -1.611 1.00 64.21 H new ATOM 0 HG13 VAL A 59 -4.186 -2.411 -1.617 1.00 64.21 H new ATOM 0 HG21 VAL A 59 -2.687 -5.122 -1.479 1.00 71.25 H new ATOM 0 HG22 VAL A 59 -4.062 -4.934 -2.593 1.00 71.25 H new ATOM 0 HG23 VAL A 59 -2.477 -5.453 -3.214 1.00 71.25 H new ATOM 837 N THR A 60 -1.910 -4.167 -5.801 1.00 13.12 N ATOM 838 CA THR A 60 -1.817 -5.358 -6.619 1.00 14.13 C ATOM 839 C THR A 60 -0.333 -5.634 -6.737 1.00 1.10 C ATOM 840 O THR A 60 0.438 -4.797 -7.213 1.00 54.15 O ATOM 841 CB THR A 60 -2.603 -5.215 -7.942 1.00 65.25 C ATOM 842 OG1 THR A 60 -1.997 -5.888 -9.018 1.00 22.11 O ATOM 843 CG2 THR A 60 -2.914 -3.774 -8.343 1.00 24.53 C ATOM 0 H THR A 60 -1.072 -3.585 -5.798 1.00 13.12 H new ATOM 0 HA THR A 60 -2.302 -6.230 -6.180 1.00 14.13 H new ATOM 0 HB THR A 60 -3.555 -5.697 -7.720 1.00 65.25 H new ATOM 0 HG1 THR A 60 -2.537 -5.765 -9.827 1.00 22.11 H new ATOM 0 HG21 THR A 60 -3.467 -3.769 -9.282 1.00 24.53 H new ATOM 0 HG22 THR A 60 -3.515 -3.302 -7.566 1.00 24.53 H new ATOM 0 HG23 THR A 60 -1.982 -3.222 -8.467 1.00 24.53 H new ATOM 851 N GLY A 61 0.091 -6.768 -6.199 1.00 32.31 N ATOM 852 CA GLY A 61 1.482 -7.173 -6.294 1.00 42.34 C ATOM 853 C GLY A 61 1.617 -8.680 -6.332 1.00 24.10 C ATOM 854 O GLY A 61 0.623 -9.403 -6.238 1.00 31.11 O ATOM 0 H GLY A 61 -0.508 -7.421 -5.694 1.00 32.31 H new ATOM 0 HA2 GLY A 61 1.927 -6.744 -7.192 1.00 42.34 H new ATOM 0 HA3 GLY A 61 2.037 -6.778 -5.443 1.00 42.34 H new ATOM 858 N THR A 62 2.864 -9.128 -6.464 1.00 74.45 N ATOM 859 CA THR A 62 3.218 -10.519 -6.672 1.00 11.11 C ATOM 860 C THR A 62 4.468 -10.841 -5.843 1.00 32.12 C ATOM 861 O THR A 62 5.419 -10.049 -5.826 1.00 32.41 O ATOM 862 CB THR A 62 3.434 -10.798 -8.172 1.00 51.25 C ATOM 863 OG1 THR A 62 2.491 -10.089 -8.964 1.00 1.13 O ATOM 864 CG2 THR A 62 3.285 -12.290 -8.456 1.00 11.31 C ATOM 0 H THR A 62 3.675 -8.510 -6.427 1.00 74.45 H new ATOM 0 HA THR A 62 2.407 -11.167 -6.341 1.00 11.11 H new ATOM 0 HB THR A 62 4.440 -10.466 -8.429 1.00 51.25 H new ATOM 0 HG1 THR A 62 2.650 -10.281 -9.912 1.00 1.13 H new ATOM 0 HG21 THR A 62 3.440 -12.475 -9.519 1.00 11.31 H new ATOM 0 HG22 THR A 62 4.024 -12.846 -7.879 1.00 11.31 H new ATOM 0 HG23 THR A 62 2.284 -12.616 -8.173 1.00 11.31 H new ATOM 872 N THR A 63 4.459 -11.963 -5.131 1.00 50.12 N ATOM 873 CA THR A 63 5.541 -12.410 -4.261 1.00 12.04 C ATOM 874 C THR A 63 6.703 -12.997 -5.047 1.00 52.44 C ATOM 875 O THR A 63 6.626 -13.202 -6.262 1.00 23.51 O ATOM 876 CB THR A 63 5.017 -13.411 -3.217 1.00 62.44 C ATOM 877 OG1 THR A 63 4.744 -14.671 -3.794 1.00 12.24 O ATOM 878 CG2 THR A 63 3.750 -12.891 -2.542 1.00 42.23 C ATOM 0 H THR A 63 3.670 -12.609 -5.144 1.00 50.12 H new ATOM 0 HA THR A 63 5.923 -11.533 -3.739 1.00 12.04 H new ATOM 0 HB THR A 63 5.805 -13.526 -2.472 1.00 62.44 H new ATOM 0 HG1 THR A 63 4.415 -15.283 -3.103 1.00 12.24 H new ATOM 0 HG21 THR A 63 3.403 -13.620 -1.809 1.00 42.23 H new ATOM 0 HG22 THR A 63 3.966 -11.947 -2.041 1.00 42.23 H new ATOM 0 HG23 THR A 63 2.976 -12.735 -3.293 1.00 42.23 H new ATOM 886 N GLN A 64 7.786 -13.289 -4.330 1.00 71.42 N ATOM 887 CA GLN A 64 8.917 -14.081 -4.770 1.00 51.11 C ATOM 888 C GLN A 64 8.423 -15.388 -5.397 1.00 70.51 C ATOM 889 O GLN A 64 8.769 -15.710 -6.532 1.00 44.43 O ATOM 890 CB GLN A 64 9.854 -14.295 -3.591 1.00 4.11 C ATOM 891 CG GLN A 64 11.266 -14.490 -4.146 1.00 31.50 C ATOM 892 CD GLN A 64 12.253 -14.651 -3.021 1.00 3.43 C ATOM 893 OE1 GLN A 64 13.188 -13.866 -2.866 1.00 11.04 O ATOM 894 NE2 GLN A 64 12.032 -15.643 -2.195 1.00 45.45 N ATOM 0 H GLN A 64 7.897 -12.957 -3.372 1.00 71.42 H new ATOM 0 HA GLN A 64 9.481 -13.563 -5.545 1.00 51.11 H new ATOM 0 HB2 GLN A 64 9.823 -13.438 -2.918 1.00 4.11 H new ATOM 0 HB3 GLN A 64 9.547 -15.166 -3.012 1.00 4.11 H new ATOM 0 HG2 GLN A 64 11.292 -15.369 -4.790 1.00 31.50 H new ATOM 0 HG3 GLN A 64 11.543 -13.635 -4.762 1.00 31.50 H new ATOM 0 HE21 GLN A 64 11.247 -16.274 -2.355 1.00 45.45 H new ATOM 0 HE22 GLN A 64 12.645 -15.784 -1.392 1.00 45.45 H new ATOM 901 N SER A 65 7.521 -16.068 -4.690 1.00 23.30 N ATOM 902 CA SER A 65 6.861 -17.295 -5.123 1.00 34.42 C ATOM 903 C SER A 65 5.746 -17.066 -6.142 1.00 22.25 C ATOM 904 O SER A 65 5.037 -18.001 -6.515 1.00 32.13 O ATOM 905 CB SER A 65 6.404 -18.058 -3.880 1.00 74.54 C ATOM 906 OG SER A 65 7.434 -18.980 -3.591 1.00 63.32 O ATOM 0 H SER A 65 7.220 -15.766 -3.764 1.00 23.30 H new ATOM 0 HA SER A 65 7.577 -17.906 -5.673 1.00 34.42 H new ATOM 0 HB2 SER A 65 6.241 -17.379 -3.043 1.00 74.54 H new ATOM 0 HB3 SER A 65 5.460 -18.571 -4.062 1.00 74.54 H new ATOM 0 HG SER A 65 7.194 -19.500 -2.796 1.00 63.32 H new ATOM 911 N GLY A 66 5.629 -15.847 -6.665 1.00 23.30 N ATOM 912 CA GLY A 66 4.798 -15.569 -7.810 1.00 62.23 C ATOM 913 C GLY A 66 3.320 -15.502 -7.459 1.00 1.00 C ATOM 914 O GLY A 66 2.497 -15.501 -8.378 1.00 34.53 O ATOM 0 H GLY A 66 6.114 -15.029 -6.297 1.00 23.30 H new ATOM 0 HA2 GLY A 66 5.105 -14.623 -8.255 1.00 62.23 H new ATOM 0 HA3 GLY A 66 4.954 -16.341 -8.563 1.00 62.23 H new ATOM 918 N GLU A 67 2.977 -15.422 -6.175 1.00 51.44 N ATOM 919 CA GLU A 67 1.610 -15.412 -5.706 1.00 41.22 C ATOM 920 C GLU A 67 1.161 -13.982 -5.676 1.00 21.44 C ATOM 921 O GLU A 67 1.916 -13.079 -5.330 1.00 4.42 O ATOM 922 CB GLU A 67 1.556 -16.010 -4.298 1.00 13.14 C ATOM 923 CG GLU A 67 1.687 -17.530 -4.286 1.00 42.00 C ATOM 924 CD GLU A 67 1.813 -18.001 -2.835 1.00 45.34 C ATOM 925 OE1 GLU A 67 0.783 -17.992 -2.123 1.00 14.15 O ATOM 926 OE2 GLU A 67 2.962 -18.236 -2.389 1.00 4.14 O ATOM 0 H GLU A 67 3.663 -15.361 -5.423 1.00 51.44 H new ATOM 0 HA GLU A 67 0.964 -16.001 -6.357 1.00 41.22 H new ATOM 0 HB2 GLU A 67 2.355 -15.578 -3.696 1.00 13.14 H new ATOM 0 HB3 GLU A 67 0.614 -15.729 -3.827 1.00 13.14 H new ATOM 0 HG2 GLU A 67 0.817 -17.988 -4.758 1.00 42.00 H new ATOM 0 HG3 GLU A 67 2.560 -17.838 -4.860 1.00 42.00 H new ATOM 931 N LYS A 68 -0.061 -13.762 -6.104 1.00 52.44 N ATOM 932 CA LYS A 68 -0.573 -12.479 -6.421 1.00 31.34 C ATOM 933 C LYS A 68 -1.631 -12.112 -5.415 1.00 73.14 C ATOM 934 O LYS A 68 -2.547 -12.882 -5.131 1.00 1.03 O ATOM 935 CB LYS A 68 -1.065 -12.545 -7.847 1.00 43.01 C ATOM 936 CG LYS A 68 -2.361 -13.330 -8.099 1.00 54.42 C ATOM 937 CD LYS A 68 -2.768 -13.314 -9.568 1.00 32.23 C ATOM 938 CE LYS A 68 -3.181 -11.912 -10.040 1.00 31.22 C ATOM 939 NZ LYS A 68 -3.565 -11.934 -11.462 1.00 43.24 N ATOM 0 H LYS A 68 -0.740 -14.511 -6.241 1.00 52.44 H new ATOM 0 HA LYS A 68 0.175 -11.689 -6.362 1.00 31.34 H new ATOM 0 HB2 LYS A 68 -1.211 -11.525 -8.203 1.00 43.01 H new ATOM 0 HB3 LYS A 68 -0.277 -12.986 -8.458 1.00 43.01 H new ATOM 0 HG2 LYS A 68 -2.228 -14.361 -7.772 1.00 54.42 H new ATOM 0 HG3 LYS A 68 -3.164 -12.905 -7.497 1.00 54.42 H new ATOM 0 HD2 LYS A 68 -1.938 -13.671 -10.177 1.00 32.23 H new ATOM 0 HD3 LYS A 68 -3.596 -14.006 -9.721 1.00 32.23 H new ATOM 0 HE2 LYS A 68 -4.015 -11.551 -9.438 1.00 31.22 H new ATOM 0 HE3 LYS A 68 -2.356 -11.215 -9.892 1.00 31.22 H new ATOM 0 HZ1 LYS A 68 -3.841 -10.977 -11.762 1.00 43.24 H new ATOM 0 HZ2 LYS A 68 -2.759 -12.257 -12.034 1.00 43.24 H new ATOM 0 HZ3 LYS A 68 -4.367 -12.583 -11.595 1.00 43.24 H new ATOM 949 N PHE A 69 -1.487 -10.931 -4.860 1.00 10.43 N ATOM 950 CA PHE A 69 -2.387 -10.431 -3.842 1.00 22.13 C ATOM 951 C PHE A 69 -3.063 -9.195 -4.403 1.00 12.22 C ATOM 952 O PHE A 69 -2.431 -8.370 -5.077 1.00 13.11 O ATOM 953 CB PHE A 69 -1.633 -10.184 -2.536 1.00 42.34 C ATOM 954 CG PHE A 69 -0.456 -9.238 -2.645 1.00 33.33 C ATOM 955 CD1 PHE A 69 0.809 -9.747 -3.030 1.00 12.12 C ATOM 956 CD2 PHE A 69 -0.647 -7.857 -2.403 1.00 4.31 C ATOM 957 CE1 PHE A 69 1.913 -8.883 -3.122 1.00 43.44 C ATOM 958 CE2 PHE A 69 0.455 -6.996 -2.626 1.00 71.54 C ATOM 959 CZ PHE A 69 1.739 -7.507 -2.925 1.00 72.12 C ATOM 0 H PHE A 69 -0.737 -10.284 -5.103 1.00 10.43 H new ATOM 0 HA PHE A 69 -3.158 -11.159 -3.590 1.00 22.13 H new ATOM 0 HB2 PHE A 69 -2.332 -9.787 -1.800 1.00 42.34 H new ATOM 0 HB3 PHE A 69 -1.277 -11.140 -2.153 1.00 42.34 H new ATOM 0 HD1 PHE A 69 0.924 -10.798 -3.252 1.00 12.12 H new ATOM 0 HD2 PHE A 69 -1.597 -7.474 -2.061 1.00 4.31 H new ATOM 0 HE1 PHE A 69 2.893 -9.279 -3.344 1.00 43.44 H new ATOM 0 HE2 PHE A 69 0.312 -5.927 -2.566 1.00 71.54 H new ATOM 0 HZ PHE A 69 2.584 -6.838 -3.001 1.00 72.12 H new ATOM 968 N THR A 70 -4.346 -9.056 -4.104 1.00 34.44 N ATOM 969 CA THR A 70 -5.090 -7.845 -4.372 1.00 61.51 C ATOM 970 C THR A 70 -5.921 -7.534 -3.152 1.00 42.44 C ATOM 971 O THR A 70 -6.575 -8.416 -2.598 1.00 11.43 O ATOM 972 CB THR A 70 -6.014 -7.988 -5.574 1.00 4.01 C ATOM 973 OG1 THR A 70 -6.833 -9.132 -5.453 1.00 72.44 O ATOM 974 CG2 THR A 70 -5.263 -8.078 -6.889 1.00 62.35 C ATOM 0 H THR A 70 -4.901 -9.791 -3.664 1.00 34.44 H new ATOM 0 HA THR A 70 -4.382 -7.047 -4.597 1.00 61.51 H new ATOM 0 HB THR A 70 -6.622 -7.084 -5.584 1.00 4.01 H new ATOM 0 HG1 THR A 70 -7.081 -9.259 -4.513 1.00 72.44 H new ATOM 0 HG21 THR A 70 -5.975 -8.179 -7.708 1.00 62.35 H new ATOM 0 HG22 THR A 70 -4.670 -7.174 -7.032 1.00 62.35 H new ATOM 0 HG23 THR A 70 -4.604 -8.946 -6.873 1.00 62.35 H new ATOM 982 N GLY A 71 -5.906 -6.270 -2.780 1.00 22.34 N ATOM 983 CA GLY A 71 -6.549 -5.800 -1.568 1.00 34.12 C ATOM 984 C GLY A 71 -7.840 -5.133 -1.945 1.00 4.00 C ATOM 985 O GLY A 71 -8.918 -5.719 -1.955 1.00 43.03 O ATOM 0 H GLY A 71 -5.444 -5.534 -3.314 1.00 22.34 H new ATOM 0 HA2 GLY A 71 -6.736 -6.633 -0.890 1.00 34.12 H new ATOM 0 HA3 GLY A 71 -5.900 -5.100 -1.041 1.00 34.12 H new ATOM 989 N HIS A 72 -7.618 -3.924 -2.427 1.00 45.03 N ATOM 990 CA HIS A 72 -8.640 -3.006 -2.927 1.00 23.12 C ATOM 991 C HIS A 72 -9.426 -2.401 -1.765 1.00 74.53 C ATOM 992 O HIS A 72 -10.613 -2.666 -1.571 1.00 0.10 O ATOM 993 CB HIS A 72 -9.590 -3.605 -3.972 1.00 44.25 C ATOM 994 CG HIS A 72 -9.001 -4.386 -5.114 1.00 21.42 C ATOM 995 ND1 HIS A 72 -8.712 -3.912 -6.372 1.00 11.43 N ATOM 996 CD2 HIS A 72 -8.956 -5.748 -5.170 1.00 22.41 C ATOM 997 CE1 HIS A 72 -8.520 -4.971 -7.169 1.00 3.23 C ATOM 998 NE2 HIS A 72 -8.683 -6.116 -6.489 1.00 30.41 N ATOM 0 H HIS A 72 -6.678 -3.532 -2.486 1.00 45.03 H new ATOM 0 HA HIS A 72 -8.094 -2.225 -3.456 1.00 23.12 H new ATOM 0 HB2 HIS A 72 -10.288 -4.258 -3.449 1.00 44.25 H new ATOM 0 HB3 HIS A 72 -10.174 -2.788 -4.396 1.00 44.25 H new ATOM 0 HD2 HIS A 72 -9.105 -6.423 -4.340 1.00 22.41 H new ATOM 0 HE1 HIS A 72 -8.268 -4.911 -8.217 1.00 3.23 H new ATOM 0 HE2 HIS A 72 -8.620 -7.064 -6.860 1.00 30.41 H new ATOM 1005 N PHE A 73 -8.759 -1.558 -0.994 1.00 74.35 N ATOM 1006 CA PHE A 73 -9.342 -0.872 0.145 1.00 13.43 C ATOM 1007 C PHE A 73 -10.124 0.337 -0.349 1.00 42.45 C ATOM 1008 O PHE A 73 -9.759 0.929 -1.377 1.00 21.13 O ATOM 1009 CB PHE A 73 -8.206 -0.485 1.090 1.00 23.54 C ATOM 1010 CG PHE A 73 -7.429 -1.725 1.501 1.00 74.21 C ATOM 1011 CD1 PHE A 73 -7.942 -2.561 2.508 1.00 4.20 C ATOM 1012 CD2 PHE A 73 -6.293 -2.129 0.776 1.00 40.31 C ATOM 1013 CE1 PHE A 73 -7.291 -3.767 2.831 1.00 54.22 C ATOM 1014 CE2 PHE A 73 -5.713 -3.381 1.028 1.00 11.32 C ATOM 1015 CZ PHE A 73 -6.190 -4.185 2.070 1.00 35.54 C ATOM 0 H PHE A 73 -7.777 -1.327 -1.146 1.00 74.35 H new ATOM 0 HA PHE A 73 -10.041 -1.508 0.688 1.00 13.43 H new ATOM 0 HB2 PHE A 73 -7.540 0.226 0.600 1.00 23.54 H new ATOM 0 HB3 PHE A 73 -8.609 0.011 1.973 1.00 23.54 H new ATOM 0 HD1 PHE A 73 -8.840 -2.277 3.037 1.00 4.20 H new ATOM 0 HD2 PHE A 73 -5.869 -1.477 0.027 1.00 40.31 H new ATOM 0 HE1 PHE A 73 -7.638 -4.366 3.660 1.00 54.22 H new ATOM 0 HE2 PHE A 73 -4.894 -3.727 0.415 1.00 11.32 H new ATOM 0 HZ PHE A 73 -5.710 -5.128 2.288 1.00 35.54 H new ATOM 1024 N LYS A 74 -11.193 0.695 0.358 1.00 13.23 N ATOM 1025 CA LYS A 74 -12.105 1.787 0.011 1.00 54.22 C ATOM 1026 C LYS A 74 -12.653 2.370 1.303 1.00 0.20 C ATOM 1027 O LYS A 74 -12.617 1.730 2.349 1.00 33.51 O ATOM 1028 CB LYS A 74 -13.260 1.265 -0.874 1.00 62.35 C ATOM 1029 CG LYS A 74 -12.971 1.357 -2.384 1.00 74.44 C ATOM 1030 CD LYS A 74 -13.591 2.592 -3.058 1.00 14.13 C ATOM 1031 CE LYS A 74 -14.987 2.251 -3.589 1.00 25.10 C ATOM 1032 NZ LYS A 74 -15.714 3.434 -4.085 1.00 63.12 N ATOM 0 H LYS A 74 -11.459 0.217 1.219 1.00 13.23 H new ATOM 0 HA LYS A 74 -11.574 2.554 -0.553 1.00 54.22 H new ATOM 0 HB2 LYS A 74 -13.464 0.226 -0.614 1.00 62.35 H new ATOM 0 HB3 LYS A 74 -14.163 1.833 -0.650 1.00 62.35 H new ATOM 0 HG2 LYS A 74 -11.892 1.373 -2.538 1.00 74.44 H new ATOM 0 HG3 LYS A 74 -13.349 0.459 -2.873 1.00 74.44 H new ATOM 0 HD2 LYS A 74 -13.655 3.413 -2.344 1.00 14.13 H new ATOM 0 HD3 LYS A 74 -12.954 2.929 -3.876 1.00 14.13 H new ATOM 0 HE2 LYS A 74 -14.896 1.522 -4.394 1.00 25.10 H new ATOM 0 HE3 LYS A 74 -15.567 1.780 -2.796 1.00 25.10 H new ATOM 0 HZ1 LYS A 74 -16.651 3.145 -4.432 1.00 63.12 H new ATOM 0 HZ2 LYS A 74 -15.827 4.121 -3.312 1.00 63.12 H new ATOM 0 HZ3 LYS A 74 -15.177 3.871 -4.861 1.00 63.12 H new ATOM 1042 N GLY A 75 -13.199 3.578 1.217 1.00 32.32 N ATOM 1043 CA GLY A 75 -13.739 4.269 2.374 1.00 75.43 C ATOM 1044 C GLY A 75 -12.683 4.536 3.446 1.00 2.54 C ATOM 1045 O GLY A 75 -13.022 4.517 4.632 1.00 31.41 O ATOM 0 H GLY A 75 -13.278 4.101 0.345 1.00 32.32 H new ATOM 0 HA2 GLY A 75 -14.176 5.216 2.056 1.00 75.43 H new ATOM 0 HA3 GLY A 75 -14.545 3.675 2.804 1.00 75.43 H new ATOM 1049 N LEU A 76 -11.427 4.760 3.036 1.00 35.22 N ATOM 1050 CA LEU A 76 -10.322 5.068 3.940 1.00 32.34 C ATOM 1051 C LEU A 76 -10.578 6.414 4.625 1.00 4.51 C ATOM 1052 O LEU A 76 -11.424 7.206 4.189 1.00 2.42 O ATOM 1053 CB LEU A 76 -8.988 5.133 3.170 1.00 44.43 C ATOM 1054 CG LEU A 76 -8.540 3.819 2.506 1.00 1.01 C ATOM 1055 CD1 LEU A 76 -7.440 4.110 1.481 1.00 24.40 C ATOM 1056 CD2 LEU A 76 -7.985 2.833 3.533 1.00 4.22 C ATOM 0 H LEU A 76 -11.152 4.731 2.054 1.00 35.22 H new ATOM 0 HA LEU A 76 -10.257 4.277 4.688 1.00 32.34 H new ATOM 0 HB2 LEU A 76 -9.071 5.899 2.399 1.00 44.43 H new ATOM 0 HB3 LEU A 76 -8.207 5.456 3.858 1.00 44.43 H new ATOM 0 HG LEU A 76 -9.414 3.378 2.026 1.00 1.01 H new ATOM 0 HD11 LEU A 76 -7.124 3.178 1.012 1.00 24.40 H new ATOM 0 HD12 LEU A 76 -7.823 4.788 0.719 1.00 24.40 H new ATOM 0 HD13 LEU A 76 -6.589 4.571 1.982 1.00 24.40 H new ATOM 0 HD21 LEU A 76 -7.678 1.917 3.029 1.00 4.22 H new ATOM 0 HD22 LEU A 76 -7.125 3.276 4.035 1.00 4.22 H new ATOM 0 HD23 LEU A 76 -8.755 2.602 4.269 1.00 4.22 H new ATOM 1067 N VAL A 77 -9.791 6.698 5.657 1.00 2.34 N ATOM 1068 CA VAL A 77 -9.759 7.967 6.372 1.00 61.31 C ATOM 1069 C VAL A 77 -8.281 8.390 6.446 1.00 52.55 C ATOM 1070 O VAL A 77 -7.387 7.553 6.268 1.00 74.43 O ATOM 1071 CB VAL A 77 -10.447 7.814 7.761 1.00 44.23 C ATOM 1072 CG1 VAL A 77 -10.828 9.169 8.367 1.00 55.21 C ATOM 1073 CG2 VAL A 77 -11.710 6.928 7.730 1.00 20.33 C ATOM 0 H VAL A 77 -9.129 6.020 6.034 1.00 2.34 H new ATOM 0 HA VAL A 77 -10.320 8.752 5.865 1.00 61.31 H new ATOM 0 HB VAL A 77 -9.696 7.324 8.381 1.00 44.23 H new ATOM 0 HG11 VAL A 77 -11.305 9.014 9.335 1.00 55.21 H new ATOM 0 HG12 VAL A 77 -9.931 9.774 8.497 1.00 55.21 H new ATOM 0 HG13 VAL A 77 -11.520 9.684 7.700 1.00 55.21 H new ATOM 0 HG21 VAL A 77 -12.136 6.866 8.731 1.00 20.33 H new ATOM 0 HG22 VAL A 77 -12.443 7.363 7.050 1.00 20.33 H new ATOM 0 HG23 VAL A 77 -11.445 5.928 7.386 1.00 20.33 H new ATOM 1083 N GLY A 78 -8.022 9.678 6.674 1.00 44.42 N ATOM 1084 CA GLY A 78 -6.708 10.229 6.978 1.00 53.12 C ATOM 1085 C GLY A 78 -6.034 10.833 5.754 1.00 15.30 C ATOM 1086 O GLY A 78 -6.290 10.439 4.610 1.00 40.15 O ATOM 0 H GLY A 78 -8.752 10.390 6.650 1.00 44.42 H new ATOM 0 HA2 GLY A 78 -6.807 10.993 7.749 1.00 53.12 H new ATOM 0 HA3 GLY A 78 -6.074 9.443 7.388 1.00 53.12 H new ATOM 1090 N LYS A 79 -5.140 11.799 6.001 1.00 52.25 N ATOM 1091 CA LYS A 79 -4.322 12.446 4.971 1.00 20.21 C ATOM 1092 C LYS A 79 -2.999 11.694 4.780 1.00 62.43 C ATOM 1093 O LYS A 79 -2.036 12.242 4.238 1.00 2.24 O ATOM 1094 CB LYS A 79 -4.126 13.941 5.299 1.00 13.30 C ATOM 1095 CG LYS A 79 -3.940 14.768 4.015 1.00 20.22 C ATOM 1096 CD LYS A 79 -4.044 16.290 4.204 1.00 35.13 C ATOM 1097 CE LYS A 79 -2.875 16.940 4.967 1.00 11.12 C ATOM 1098 NZ LYS A 79 -3.284 17.491 6.279 1.00 15.50 N ATOM 0 H LYS A 79 -4.963 12.158 6.939 1.00 52.25 H new ATOM 0 HA LYS A 79 -4.844 12.401 4.015 1.00 20.21 H new ATOM 0 HB2 LYS A 79 -4.989 14.312 5.853 1.00 13.30 H new ATOM 0 HB3 LYS A 79 -3.256 14.064 5.944 1.00 13.30 H new ATOM 0 HG2 LYS A 79 -2.964 14.535 3.589 1.00 20.22 H new ATOM 0 HG3 LYS A 79 -4.689 14.455 3.287 1.00 20.22 H new ATOM 0 HD2 LYS A 79 -4.120 16.757 3.222 1.00 35.13 H new ATOM 0 HD3 LYS A 79 -4.970 16.511 4.734 1.00 35.13 H new ATOM 0 HE2 LYS A 79 -2.089 16.200 5.118 1.00 11.12 H new ATOM 0 HE3 LYS A 79 -2.449 17.738 4.359 1.00 11.12 H new ATOM 0 HZ1 LYS A 79 -2.460 17.916 6.749 1.00 15.50 H new ATOM 0 HZ2 LYS A 79 -4.015 18.217 6.138 1.00 15.50 H new ATOM 0 HZ3 LYS A 79 -3.665 16.727 6.873 1.00 15.50 H new ATOM 1108 N ASP A 80 -2.923 10.438 5.203 1.00 22.44 N ATOM 1109 CA ASP A 80 -1.878 9.508 4.811 1.00 74.01 C ATOM 1110 C ASP A 80 -2.499 8.151 4.566 1.00 72.02 C ATOM 1111 O ASP A 80 -3.615 7.880 5.022 1.00 20.23 O ATOM 1112 CB ASP A 80 -0.776 9.373 5.861 1.00 12.23 C ATOM 1113 CG ASP A 80 -1.196 8.624 7.134 1.00 53.13 C ATOM 1114 OD1 ASP A 80 -1.036 7.382 7.166 1.00 53.43 O ATOM 1115 OD2 ASP A 80 -1.570 9.289 8.129 1.00 43.41 O ATOM 0 H ASP A 80 -3.604 10.031 5.844 1.00 22.44 H new ATOM 0 HA ASP A 80 -1.413 9.901 3.907 1.00 74.01 H new ATOM 0 HB2 ASP A 80 0.073 8.856 5.414 1.00 12.23 H new ATOM 0 HB3 ASP A 80 -0.432 10.369 6.138 1.00 12.23 H new ATOM 1119 N THR A 81 -1.759 7.302 3.860 1.00 15.21 N ATOM 1120 CA THR A 81 -2.161 5.942 3.577 1.00 74.45 C ATOM 1121 C THR A 81 -0.971 5.016 3.790 1.00 61.05 C ATOM 1122 O THR A 81 0.163 5.353 3.422 1.00 75.33 O ATOM 1123 CB THR A 81 -2.711 5.833 2.142 1.00 62.13 C ATOM 1124 OG1 THR A 81 -3.214 7.043 1.595 1.00 11.14 O ATOM 1125 CG2 THR A 81 -3.845 4.820 2.142 1.00 62.03 C ATOM 0 H THR A 81 -0.851 7.550 3.466 1.00 15.21 H new ATOM 0 HA THR A 81 -2.961 5.644 4.255 1.00 74.45 H new ATOM 0 HB THR A 81 -1.865 5.541 1.520 1.00 62.13 H new ATOM 0 HG1 THR A 81 -2.951 7.110 0.653 1.00 11.14 H new ATOM 0 HG21 THR A 81 -4.250 4.727 1.134 1.00 62.03 H new ATOM 0 HG22 THR A 81 -3.468 3.852 2.473 1.00 62.03 H new ATOM 0 HG23 THR A 81 -4.631 5.154 2.819 1.00 62.03 H new ATOM 1133 N ARG A 82 -1.219 3.834 4.352 1.00 35.42 N ATOM 1134 CA ARG A 82 -0.237 2.765 4.482 1.00 1.32 C ATOM 1135 C ARG A 82 -0.832 1.499 3.901 1.00 61.11 C ATOM 1136 O ARG A 82 -2.016 1.452 3.575 1.00 21.43 O ATOM 1137 CB ARG A 82 0.185 2.565 5.951 1.00 43.42 C ATOM 1138 CG ARG A 82 0.796 3.833 6.555 1.00 61.23 C ATOM 1139 CD ARG A 82 1.421 3.571 7.927 1.00 15.21 C ATOM 1140 NE ARG A 82 1.842 4.840 8.539 1.00 43.54 N ATOM 1141 CZ ARG A 82 1.963 5.053 9.853 1.00 14.31 C ATOM 1142 NH1 ARG A 82 2.106 4.026 10.680 1.00 35.22 N ATOM 1143 NH2 ARG A 82 1.960 6.291 10.326 1.00 13.54 N ATOM 0 H ARG A 82 -2.131 3.590 4.738 1.00 35.42 H new ATOM 0 HA ARG A 82 0.667 3.030 3.934 1.00 1.32 H new ATOM 0 HB2 ARG A 82 -0.683 2.266 6.539 1.00 43.42 H new ATOM 0 HB3 ARG A 82 0.907 1.751 6.012 1.00 43.42 H new ATOM 0 HG2 ARG A 82 1.556 4.226 5.880 1.00 61.23 H new ATOM 0 HG3 ARG A 82 0.025 4.598 6.648 1.00 61.23 H new ATOM 0 HD2 ARG A 82 0.702 3.067 8.573 1.00 15.21 H new ATOM 0 HD3 ARG A 82 2.278 2.905 7.824 1.00 15.21 H new ATOM 0 HE ARG A 82 2.058 5.616 7.914 1.00 43.54 H new ATOM 0 HH11 ARG A 82 2.124 3.074 10.313 1.00 35.22 H new ATOM 0 HH12 ARG A 82 2.198 4.188 11.683 1.00 35.22 H new ATOM 0 HH21 ARG A 82 1.865 7.081 9.687 1.00 13.54 H new ATOM 0 HH22 ARG A 82 2.052 6.454 11.329 1.00 13.54 H new ATOM 1154 N VAL A 83 -0.012 0.461 3.795 1.00 12.10 N ATOM 1155 CA VAL A 83 -0.399 -0.865 3.360 1.00 72.45 C ATOM 1156 C VAL A 83 0.415 -1.817 4.227 1.00 24.21 C ATOM 1157 O VAL A 83 1.647 -1.695 4.263 1.00 23.52 O ATOM 1158 CB VAL A 83 -0.089 -1.033 1.863 1.00 53.22 C ATOM 1159 CG1 VAL A 83 -0.448 -2.443 1.392 1.00 34.13 C ATOM 1160 CG2 VAL A 83 -0.837 -0.034 0.965 1.00 23.13 C ATOM 0 H VAL A 83 0.981 0.528 4.020 1.00 12.10 H new ATOM 0 HA VAL A 83 -1.466 -1.058 3.470 1.00 72.45 H new ATOM 0 HB VAL A 83 0.980 -0.844 1.769 1.00 53.22 H new ATOM 0 HG11 VAL A 83 -0.221 -2.541 0.330 1.00 34.13 H new ATOM 0 HG12 VAL A 83 0.132 -3.174 1.956 1.00 34.13 H new ATOM 0 HG13 VAL A 83 -1.511 -2.621 1.554 1.00 34.13 H new ATOM 0 HG21 VAL A 83 -0.570 -0.211 -0.077 1.00 23.13 H new ATOM 0 HG22 VAL A 83 -1.912 -0.165 1.092 1.00 23.13 H new ATOM 0 HG23 VAL A 83 -0.560 0.983 1.243 1.00 23.13 H new ATOM 1170 N PHE A 84 -0.247 -2.716 4.960 1.00 23.30 N ATOM 1171 CA PHE A 84 0.428 -3.809 5.642 1.00 54.02 C ATOM 1172 C PHE A 84 0.239 -5.065 4.783 1.00 55.12 C ATOM 1173 O PHE A 84 -0.812 -5.259 4.176 1.00 20.12 O ATOM 1174 CB PHE A 84 -0.127 -3.975 7.066 1.00 60.31 C ATOM 1175 CG PHE A 84 0.063 -2.804 8.029 1.00 71.35 C ATOM 1176 CD1 PHE A 84 1.067 -1.840 7.821 1.00 24.40 C ATOM 1177 CD2 PHE A 84 -0.729 -2.711 9.190 1.00 41.01 C ATOM 1178 CE1 PHE A 84 1.258 -0.787 8.732 1.00 72.51 C ATOM 1179 CE2 PHE A 84 -0.498 -1.699 10.137 1.00 55.03 C ATOM 1180 CZ PHE A 84 0.488 -0.727 9.905 1.00 44.03 C ATOM 0 H PHE A 84 -1.258 -2.702 5.093 1.00 23.30 H new ATOM 0 HA PHE A 84 1.494 -3.612 5.758 1.00 54.02 H new ATOM 0 HB2 PHE A 84 -1.195 -4.181 6.991 1.00 60.31 H new ATOM 0 HB3 PHE A 84 0.337 -4.856 7.509 1.00 60.31 H new ATOM 0 HD1 PHE A 84 1.700 -1.910 6.949 1.00 24.40 H new ATOM 0 HD2 PHE A 84 -1.522 -3.425 9.354 1.00 41.01 H new ATOM 0 HE1 PHE A 84 1.996 -0.025 8.530 1.00 72.51 H new ATOM 0 HE2 PHE A 84 -1.081 -1.669 11.046 1.00 55.03 H new ATOM 0 HZ PHE A 84 0.653 0.062 10.624 1.00 44.03 H new ATOM 1189 N ILE A 85 1.258 -5.906 4.701 1.00 11.44 N ATOM 1190 CA ILE A 85 1.321 -7.112 3.896 1.00 63.52 C ATOM 1191 C ILE A 85 1.655 -8.167 4.934 1.00 15.43 C ATOM 1192 O ILE A 85 2.680 -8.061 5.608 1.00 34.52 O ATOM 1193 CB ILE A 85 2.377 -6.981 2.774 1.00 44.14 C ATOM 1194 CG1 ILE A 85 2.215 -5.648 2.013 1.00 61.54 C ATOM 1195 CG2 ILE A 85 2.215 -8.169 1.814 1.00 14.04 C ATOM 1196 CD1 ILE A 85 3.127 -5.482 0.789 1.00 64.35 C ATOM 0 H ILE A 85 2.117 -5.753 5.229 1.00 11.44 H new ATOM 0 HA ILE A 85 0.407 -7.346 3.350 1.00 63.52 H new ATOM 0 HB ILE A 85 3.375 -6.987 3.212 1.00 44.14 H new ATOM 0 HG12 ILE A 85 1.178 -5.556 1.689 1.00 61.54 H new ATOM 0 HG13 ILE A 85 2.407 -4.827 2.704 1.00 61.54 H new ATOM 0 HG21 ILE A 85 2.952 -8.094 1.015 1.00 14.04 H new ATOM 0 HG22 ILE A 85 2.365 -9.101 2.360 1.00 14.04 H new ATOM 0 HG23 ILE A 85 1.213 -8.157 1.386 1.00 14.04 H new ATOM 0 HD11 ILE A 85 2.938 -4.515 0.323 1.00 64.35 H new ATOM 0 HD12 ILE A 85 4.170 -5.537 1.102 1.00 64.35 H new ATOM 0 HD13 ILE A 85 2.921 -6.277 0.072 1.00 64.35 H new ATOM 1207 N GLU A 86 0.737 -9.101 5.125 1.00 75.44 N ATOM 1208 CA GLU A 86 0.792 -10.151 6.126 1.00 54.45 C ATOM 1209 C GLU A 86 -0.017 -11.333 5.597 1.00 21.24 C ATOM 1210 O GLU A 86 -0.736 -11.206 4.601 1.00 24.40 O ATOM 1211 CB GLU A 86 0.229 -9.640 7.463 1.00 11.12 C ATOM 1212 CG GLU A 86 -1.203 -9.075 7.354 1.00 44.05 C ATOM 1213 CD GLU A 86 -1.890 -8.949 8.714 1.00 74.41 C ATOM 1214 OE1 GLU A 86 -1.237 -8.533 9.704 1.00 42.25 O ATOM 1215 OE2 GLU A 86 -3.082 -9.313 8.819 1.00 22.30 O ATOM 0 H GLU A 86 -0.109 -9.148 4.557 1.00 75.44 H new ATOM 0 HA GLU A 86 1.821 -10.461 6.310 1.00 54.45 H new ATOM 0 HB2 GLU A 86 0.235 -10.456 8.186 1.00 11.12 H new ATOM 0 HB3 GLU A 86 0.888 -8.864 7.853 1.00 11.12 H new ATOM 0 HG2 GLU A 86 -1.168 -8.096 6.877 1.00 44.05 H new ATOM 0 HG3 GLU A 86 -1.797 -9.723 6.709 1.00 44.05 H new ATOM 1220 N LEU A 87 0.159 -12.497 6.211 1.00 52.25 N ATOM 1221 CA LEU A 87 -0.290 -13.749 5.622 1.00 62.32 C ATOM 1222 C LEU A 87 -1.732 -14.087 6.017 1.00 71.23 C ATOM 1223 O LEU A 87 -2.305 -13.488 6.930 1.00 34.40 O ATOM 1224 CB LEU A 87 0.653 -14.910 5.989 1.00 74.32 C ATOM 1225 CG LEU A 87 2.149 -14.625 5.758 1.00 42.05 C ATOM 1226 CD1 LEU A 87 3.017 -15.791 6.242 1.00 53.10 C ATOM 1227 CD2 LEU A 87 2.470 -14.364 4.287 1.00 64.42 C ATOM 0 H LEU A 87 0.611 -12.598 7.120 1.00 52.25 H new ATOM 0 HA LEU A 87 -0.266 -13.613 4.541 1.00 62.32 H new ATOM 0 HB2 LEU A 87 0.504 -15.163 7.039 1.00 74.32 H new ATOM 0 HB3 LEU A 87 0.370 -15.787 5.407 1.00 74.32 H new ATOM 0 HG LEU A 87 2.374 -13.727 6.333 1.00 42.05 H new ATOM 0 HD11 LEU A 87 4.068 -15.560 6.066 1.00 53.10 H new ATOM 0 HD12 LEU A 87 2.854 -15.948 7.308 1.00 53.10 H new ATOM 0 HD13 LEU A 87 2.748 -16.696 5.697 1.00 53.10 H new ATOM 0 HD21 LEU A 87 3.537 -14.168 4.176 1.00 64.42 H new ATOM 0 HD22 LEU A 87 2.198 -15.238 3.695 1.00 64.42 H new ATOM 0 HD23 LEU A 87 1.905 -13.499 3.939 1.00 64.42 H new ATOM 1238 N ASP A 88 -2.282 -15.082 5.323 1.00 32.40 N ATOM 1239 CA ASP A 88 -3.469 -15.841 5.714 1.00 60.25 C ATOM 1240 C ASP A 88 -3.040 -17.011 6.607 1.00 22.15 C ATOM 1241 O ASP A 88 -1.847 -17.282 6.775 1.00 61.40 O ATOM 1242 CB ASP A 88 -4.142 -16.413 4.457 1.00 72.21 C ATOM 1243 CG ASP A 88 -5.658 -16.569 4.574 1.00 54.03 C ATOM 1244 OD1 ASP A 88 -6.135 -17.319 5.455 1.00 3.42 O ATOM 1245 OD2 ASP A 88 -6.383 -16.028 3.709 1.00 60.31 O ATOM 0 H ASP A 88 -1.895 -15.395 4.433 1.00 32.40 H new ATOM 0 HA ASP A 88 -4.161 -15.188 6.247 1.00 60.25 H new ATOM 0 HB2 ASP A 88 -3.919 -15.762 3.611 1.00 72.21 H new ATOM 0 HB3 ASP A 88 -3.704 -17.386 4.235 1.00 72.21 H new ATOM 1249 N GLU A 89 -4.005 -17.792 7.088 1.00 20.21 N ATOM 1250 CA GLU A 89 -3.804 -19.014 7.851 1.00 11.24 C ATOM 1251 C GLU A 89 -2.808 -19.955 7.167 1.00 20.52 C ATOM 1252 O GLU A 89 -1.913 -20.463 7.836 1.00 73.13 O ATOM 1253 CB GLU A 89 -5.159 -19.686 8.119 1.00 41.14 C ATOM 1254 CG GLU A 89 -5.762 -20.450 6.923 1.00 21.42 C ATOM 1255 CD GLU A 89 -7.221 -20.839 7.140 1.00 31.23 C ATOM 1256 OE1 GLU A 89 -7.678 -20.886 8.306 1.00 0.13 O ATOM 1257 OE2 GLU A 89 -7.951 -21.053 6.144 1.00 63.41 O ATOM 0 H GLU A 89 -4.992 -17.577 6.948 1.00 20.21 H new ATOM 0 HA GLU A 89 -3.358 -18.758 8.812 1.00 11.24 H new ATOM 0 HB2 GLU A 89 -5.044 -20.380 8.952 1.00 41.14 H new ATOM 0 HB3 GLU A 89 -5.869 -18.922 8.436 1.00 41.14 H new ATOM 0 HG2 GLU A 89 -5.685 -19.832 6.028 1.00 21.42 H new ATOM 0 HG3 GLU A 89 -5.175 -21.350 6.740 1.00 21.42 H new ATOM 1262 N ASN A 90 -2.915 -20.163 5.848 1.00 14.44 N ATOM 1263 CA ASN A 90 -2.121 -21.154 5.114 1.00 11.32 C ATOM 1264 C ASN A 90 -0.702 -20.670 4.809 1.00 61.22 C ATOM 1265 O ASN A 90 0.016 -21.364 4.087 1.00 61.44 O ATOM 1266 CB ASN A 90 -2.763 -21.537 3.772 1.00 53.02 C ATOM 1267 CG ASN A 90 -4.212 -21.969 3.859 1.00 14.35 C ATOM 1268 OD1 ASN A 90 -4.546 -22.892 4.603 1.00 24.12 O ATOM 1269 ND2 ASN A 90 -5.084 -21.302 3.127 1.00 52.31 N ATOM 0 H ASN A 90 -3.562 -19.642 5.256 1.00 14.44 H new ATOM 0 HA ASN A 90 -2.084 -22.017 5.779 1.00 11.32 H new ATOM 0 HB2 ASN A 90 -2.693 -20.685 3.096 1.00 53.02 H new ATOM 0 HB3 ASN A 90 -2.184 -22.346 3.326 1.00 53.02 H new ATOM 0 HD21 ASN A 90 -6.074 -21.545 3.165 1.00 52.31 H new ATOM 0 HD22 ASN A 90 -4.768 -20.543 2.523 1.00 52.31 H new ATOM 1275 N ALA A 91 -0.317 -19.484 5.294 1.00 63.12 N ATOM 1276 CA ALA A 91 0.805 -18.705 4.793 1.00 55.21 C ATOM 1277 C ALA A 91 0.573 -18.264 3.336 1.00 22.13 C ATOM 1278 O ALA A 91 1.532 -18.113 2.576 1.00 52.13 O ATOM 1279 CB ALA A 91 2.144 -19.421 5.040 1.00 51.43 C ATOM 0 H ALA A 91 -0.798 -19.031 6.071 1.00 63.12 H new ATOM 0 HA ALA A 91 0.872 -17.779 5.365 1.00 55.21 H new ATOM 0 HB1 ALA A 91 2.960 -18.810 4.653 1.00 51.43 H new ATOM 0 HB2 ALA A 91 2.282 -19.575 6.110 1.00 51.43 H new ATOM 0 HB3 ALA A 91 2.140 -20.385 4.532 1.00 51.43 H new ATOM 1285 N ASP A 92 -0.696 -18.080 2.948 1.00 62.13 N ATOM 1286 CA ASP A 92 -1.086 -17.421 1.696 1.00 43.04 C ATOM 1287 C ASP A 92 -0.917 -15.910 1.872 1.00 73.23 C ATOM 1288 O ASP A 92 -0.635 -15.441 2.975 1.00 52.35 O ATOM 1289 CB ASP A 92 -2.552 -17.709 1.333 1.00 32.41 C ATOM 1290 CG ASP A 92 -2.861 -19.136 0.896 1.00 61.54 C ATOM 1291 OD1 ASP A 92 -2.019 -19.799 0.254 1.00 52.34 O ATOM 1292 OD2 ASP A 92 -4.006 -19.568 1.164 1.00 64.40 O ATOM 0 H ASP A 92 -1.493 -18.390 3.505 1.00 62.13 H new ATOM 0 HA ASP A 92 -0.454 -17.805 0.895 1.00 43.04 H new ATOM 0 HB2 ASP A 92 -3.173 -17.471 2.196 1.00 32.41 H new ATOM 0 HB3 ASP A 92 -2.847 -17.032 0.531 1.00 32.41 H new ATOM 1296 N VAL A 93 -1.127 -15.124 0.818 1.00 40.33 N ATOM 1297 CA VAL A 93 -0.644 -13.752 0.726 1.00 74.23 C ATOM 1298 C VAL A 93 -1.806 -12.765 0.715 1.00 20.31 C ATOM 1299 O VAL A 93 -2.474 -12.601 -0.309 1.00 22.23 O ATOM 1300 CB VAL A 93 0.214 -13.592 -0.537 1.00 44.43 C ATOM 1301 CG1 VAL A 93 0.823 -12.187 -0.596 1.00 20.33 C ATOM 1302 CG2 VAL A 93 1.330 -14.640 -0.592 1.00 64.31 C ATOM 0 H VAL A 93 -1.645 -15.429 -0.006 1.00 40.33 H new ATOM 0 HA VAL A 93 -0.033 -13.535 1.602 1.00 74.23 H new ATOM 0 HB VAL A 93 -0.438 -13.740 -1.398 1.00 44.43 H new ATOM 0 HG11 VAL A 93 1.428 -12.090 -1.497 1.00 20.33 H new ATOM 0 HG12 VAL A 93 0.025 -11.445 -0.614 1.00 20.33 H new ATOM 0 HG13 VAL A 93 1.450 -12.025 0.281 1.00 20.33 H new ATOM 0 HG21 VAL A 93 1.918 -14.498 -1.499 1.00 64.31 H new ATOM 0 HG22 VAL A 93 1.975 -14.531 0.280 1.00 64.31 H new ATOM 0 HG23 VAL A 93 0.892 -15.638 -0.596 1.00 64.31 H new ATOM 1312 N GLN A 94 -2.019 -12.071 1.832 1.00 55.35 N ATOM 1313 CA GLN A 94 -3.067 -11.053 1.958 1.00 51.05 C ATOM 1314 C GLN A 94 -2.480 -9.636 2.098 1.00 35.54 C ATOM 1315 O GLN A 94 -1.267 -9.418 2.065 1.00 62.43 O ATOM 1316 CB GLN A 94 -4.070 -11.417 3.078 1.00 71.43 C ATOM 1317 CG GLN A 94 -4.562 -12.878 3.072 1.00 23.44 C ATOM 1318 CD GLN A 94 -4.912 -13.409 1.680 1.00 72.33 C ATOM 1319 OE1 GLN A 94 -4.369 -14.552 1.303 1.00 75.21 O flip ATOM 1320 NE2 GLN A 94 -5.621 -12.768 0.906 1.00 43.03 N flip ATOM 0 H GLN A 94 -1.468 -12.198 2.681 1.00 55.35 H new ATOM 0 HA GLN A 94 -3.637 -11.041 1.029 1.00 51.05 H new ATOM 0 HB2 GLN A 94 -3.604 -11.212 4.042 1.00 71.43 H new ATOM 0 HB3 GLN A 94 -4.935 -10.759 2.996 1.00 71.43 H new ATOM 0 HG2 GLN A 94 -3.791 -13.513 3.509 1.00 23.44 H new ATOM 0 HG3 GLN A 94 -5.441 -12.958 3.712 1.00 23.44 H new ATOM 0 HE21 GLN A 94 -6.036 -11.886 1.206 1.00 43.03 H new ATOM 0 HE22 GLN A 94 -5.794 -13.118 -0.036 1.00 43.03 H new ATOM 1327 N VAL A 95 -3.385 -8.663 2.205 1.00 13.00 N ATOM 1328 CA VAL A 95 -3.210 -7.246 2.459 1.00 35.11 C ATOM 1329 C VAL A 95 -4.102 -6.834 3.627 1.00 22.44 C ATOM 1330 O VAL A 95 -5.275 -7.207 3.685 1.00 61.52 O ATOM 1331 CB VAL A 95 -3.366 -6.393 1.196 1.00 41.35 C ATOM 1332 CG1 VAL A 95 -4.516 -6.796 0.306 1.00 12.33 C ATOM 1333 CG2 VAL A 95 -2.994 -4.941 1.534 1.00 20.22 C ATOM 0 H VAL A 95 -4.375 -8.885 2.102 1.00 13.00 H new ATOM 0 HA VAL A 95 -2.180 -7.054 2.758 1.00 35.11 H new ATOM 0 HB VAL A 95 -2.642 -6.603 0.409 1.00 41.35 H new ATOM 0 HG11 VAL A 95 -4.551 -6.139 -0.563 1.00 12.33 H new ATOM 0 HG12 VAL A 95 -4.378 -7.826 -0.023 1.00 12.33 H new ATOM 0 HG13 VAL A 95 -5.451 -6.714 0.860 1.00 12.33 H new ATOM 0 HG21 VAL A 95 -3.100 -4.321 0.644 1.00 20.22 H new ATOM 0 HG22 VAL A 95 -3.655 -4.569 2.316 1.00 20.22 H new ATOM 0 HG23 VAL A 95 -1.962 -4.901 1.882 1.00 20.22 H new ATOM 1343 N PHE A 96 -3.561 -6.006 4.514 1.00 75.21 N ATOM 1344 CA PHE A 96 -4.211 -5.410 5.665 1.00 20.22 C ATOM 1345 C PHE A 96 -3.869 -3.922 5.705 1.00 33.40 C ATOM 1346 O PHE A 96 -2.996 -3.445 4.976 1.00 32.21 O ATOM 1347 CB PHE A 96 -3.716 -6.136 6.923 1.00 15.11 C ATOM 1348 CG PHE A 96 -4.657 -6.042 8.107 1.00 63.41 C ATOM 1349 CD1 PHE A 96 -5.659 -7.019 8.264 1.00 71.25 C ATOM 1350 CD2 PHE A 96 -4.530 -5.012 9.060 1.00 32.53 C ATOM 1351 CE1 PHE A 96 -6.557 -6.948 9.342 1.00 43.32 C ATOM 1352 CE2 PHE A 96 -5.422 -4.954 10.146 1.00 60.51 C ATOM 1353 CZ PHE A 96 -6.437 -5.917 10.287 1.00 3.43 C ATOM 0 H PHE A 96 -2.586 -5.716 4.438 1.00 75.21 H new ATOM 0 HA PHE A 96 -5.295 -5.508 5.608 1.00 20.22 H new ATOM 0 HB2 PHE A 96 -3.557 -7.187 6.683 1.00 15.11 H new ATOM 0 HB3 PHE A 96 -2.748 -5.724 7.209 1.00 15.11 H new ATOM 0 HD1 PHE A 96 -5.737 -7.827 7.552 1.00 71.25 H new ATOM 0 HD2 PHE A 96 -3.751 -4.271 8.957 1.00 32.53 H new ATOM 0 HE1 PHE A 96 -7.339 -7.686 9.444 1.00 43.32 H new ATOM 0 HE2 PHE A 96 -5.327 -4.164 10.877 1.00 60.51 H new ATOM 0 HZ PHE A 96 -7.122 -5.864 11.120 1.00 3.43 H new ATOM 1362 N ILE A 97 -4.512 -3.160 6.589 1.00 43.05 N ATOM 1363 CA ILE A 97 -4.206 -1.748 6.775 1.00 51.23 C ATOM 1364 C ILE A 97 -4.467 -1.305 8.214 1.00 61.55 C ATOM 1365 O ILE A 97 -5.404 -1.804 8.849 1.00 54.14 O ATOM 1366 CB ILE A 97 -5.013 -0.860 5.799 1.00 52.12 C ATOM 1367 CG1 ILE A 97 -6.438 -1.389 5.547 1.00 20.23 C ATOM 1368 CG2 ILE A 97 -4.243 -0.626 4.490 1.00 60.14 C ATOM 1369 CD1 ILE A 97 -7.257 -0.373 4.759 1.00 44.33 C ATOM 0 H ILE A 97 -5.257 -3.506 7.193 1.00 43.05 H new ATOM 0 HA ILE A 97 -3.145 -1.624 6.560 1.00 51.23 H new ATOM 0 HB ILE A 97 -5.137 0.108 6.285 1.00 52.12 H new ATOM 0 HG12 ILE A 97 -6.391 -2.330 4.998 1.00 20.23 H new ATOM 0 HG13 ILE A 97 -6.927 -1.599 6.498 1.00 20.23 H new ATOM 0 HG21 ILE A 97 -4.837 0.002 3.826 1.00 60.14 H new ATOM 0 HG22 ILE A 97 -3.297 -0.130 4.708 1.00 60.14 H new ATOM 0 HG23 ILE A 97 -4.048 -1.583 4.007 1.00 60.14 H new ATOM 0 HD11 ILE A 97 -8.260 -0.766 4.591 1.00 44.33 H new ATOM 0 HD12 ILE A 97 -7.321 0.558 5.322 1.00 44.33 H new ATOM 0 HD13 ILE A 97 -6.776 -0.184 3.799 1.00 44.33 H new ATOM 1380 N PRO A 98 -3.675 -0.343 8.719 1.00 53.43 N ATOM 1381 CA PRO A 98 -3.963 0.349 9.958 1.00 33.50 C ATOM 1382 C PRO A 98 -5.184 1.247 9.739 1.00 63.15 C ATOM 1383 O PRO A 98 -5.153 2.121 8.873 1.00 15.44 O ATOM 1384 CB PRO A 98 -2.695 1.120 10.311 1.00 41.33 C ATOM 1385 CG PRO A 98 -2.058 1.412 8.954 1.00 32.40 C ATOM 1386 CD PRO A 98 -2.494 0.231 8.084 1.00 24.32 C ATOM 0 HA PRO A 98 -4.214 -0.314 10.786 1.00 33.50 H new ATOM 0 HB2 PRO A 98 -2.923 2.038 10.852 1.00 41.33 H new ATOM 0 HB3 PRO A 98 -2.032 0.532 10.946 1.00 41.33 H new ATOM 0 HG2 PRO A 98 -2.406 2.360 8.545 1.00 32.40 H new ATOM 0 HG3 PRO A 98 -0.972 1.476 9.027 1.00 32.40 H new ATOM 0 HD2 PRO A 98 -2.721 0.560 7.070 1.00 24.32 H new ATOM 0 HD3 PRO A 98 -1.697 -0.509 8.008 1.00 24.32 H new ATOM 1391 N GLN A 99 -6.279 0.987 10.449 1.00 13.04 N ATOM 1392 CA GLN A 99 -7.512 1.751 10.470 1.00 12.00 C ATOM 1393 C GLN A 99 -8.012 1.776 11.925 1.00 0.41 C ATOM 1394 O GLN A 99 -7.296 1.359 12.842 1.00 22.43 O ATOM 1395 CB GLN A 99 -8.553 1.093 9.546 1.00 3.23 C ATOM 1396 CG GLN A 99 -8.206 0.974 8.051 1.00 52.01 C ATOM 1397 CD GLN A 99 -8.243 2.295 7.280 1.00 22.14 C ATOM 1398 OE1 GLN A 99 -9.281 2.720 6.784 1.00 41.22 O ATOM 1399 NE2 GLN A 99 -7.113 2.953 7.107 1.00 22.20 N ATOM 0 H GLN A 99 -6.325 0.177 11.067 1.00 13.04 H new ATOM 0 HA GLN A 99 -7.348 2.767 10.111 1.00 12.00 H new ATOM 0 HB2 GLN A 99 -8.753 0.091 9.925 1.00 3.23 H new ATOM 0 HB3 GLN A 99 -9.482 1.657 9.631 1.00 3.23 H new ATOM 0 HG2 GLN A 99 -7.210 0.541 7.956 1.00 52.01 H new ATOM 0 HG3 GLN A 99 -8.902 0.277 7.585 1.00 52.01 H new ATOM 0 HE21 GLN A 99 -6.249 2.600 7.519 1.00 22.20 H new ATOM 0 HE22 GLN A 99 -7.103 3.815 6.561 1.00 22.20 H new