USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1052 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 73 THR OG1 : rot -138:sc= 0.123 USER MOD Set 1.2: A 119 ASN : amide:sc= -0.681 K(o=-0.56,f=-3!) USER MOD Set 2.1: A 108 ASN : amide:sc= -0.701 K(o=-0.31,f=-1.1) USER MOD Set 2.2: A 113 THR OG1 : rot -110:sc= -0.709 USER MOD Set 2.3: A 142 LYS NZ :NH3+ -102:sc= 1.1 (180deg=0.0246) USER MOD Set 3.1: A 88 CYS SG : rot -93:sc= 1.01 USER MOD Set 3.2: A 137 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 159:sc= 1.27 (180deg=-0.038) USER MOD Set 4.2: A 50 TYR OH : rot 128:sc= 0.877 USER MOD Set 4.3: A 57 THR OG1 : rot 180:sc= 0.00491 USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= -0.0192 USER MOD Set 5.2: A 45 THR OG1 : rot -137:sc= 1.22 USER MOD Set 6.1: A 38 ASN : amide:sc= 0.734 K(o=0.49,f=-1.3) USER MOD Set 6.2: A 47 ASN : amide:sc= -0.243 K(o=0.49,f=-1.2!) USER MOD Set 7.1: A 16 THR OG1 : rot 88:sc= 1.42 USER MOD Set 7.2: A 20 CYS SG : rot -109:sc= 1.75 USER MOD Set 7.3: A 69 TYR OH : rot 174:sc= 0.608 USER MOD Single : A 5 GLN : amide:sc= 0.69 K(o=0.69,f=-0.55) USER MOD Single : A 10 MET CE :methyl 143:sc= -0.849 (180deg=-2.65) USER MOD Single : A 11 GLN : amide:sc=-0.00372 X(o=-0.0037,f=-0.35) USER MOD Single : A 13 SER OG : rot 64:sc= 0.906 USER MOD Single : A 15 MET CE :methyl 149:sc= -0.846 (180deg=-4.07) USER MOD Single : A 17 CYS SG : rot 180:sc= -2.24! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 2.1 (180deg=0.897) USER MOD Single : A 31 MET CE :methyl 155:sc=-0.00292 (180deg=-0.161) USER MOD Single : A 35 THR OG1 : rot -110:sc= -1.12 USER MOD Single : A 40 ASN : amide:sc= -0.0527 K(o=-0.053,f=-0.76) USER MOD Single : A 55 THR OG1 : rot -150:sc= 0.25 USER MOD Single : A 61 GLN : amide:sc= 1.17 K(o=1.2,f=-0.24) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 0.0318 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 1.23 (180deg=1.08) USER MOD Single : A 70 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 1.34 (180deg=1.09) USER MOD Single : A 83 MET CE :methyl 174:sc= -0.696 (180deg=-0.789) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ -111:sc= -0.0797 (180deg=-0.602!) USER MOD Single : A 97 ASN : amide:sc= 1.92 K(o=1.9,f=-0.36) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.859 K(o=0.86,f=-0.43) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 151:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.104) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.00914 USER MOD Single : A 129 LYS NZ :NH3+ 179:sc= -0.404 (180deg=-0.408) USER MOD Single : A 134 LYS NZ :NH3+ -158:sc= 0.638 (180deg=0.242) USER MOD Single : A 138 LYS NZ :NH3+ 168:sc= 0.988 (180deg=0.914) USER MOD Single : A 140 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.898 -14.899 4.001 1.00 1.17 N ATOM 66 CA GLN A 5 1.158 -13.927 3.223 1.00 1.28 C ATOM 67 C GLN A 5 1.211 -12.562 3.894 1.00 1.43 C ATOM 68 O GLN A 5 1.649 -12.431 5.036 1.00 1.83 O ATOM 69 CB GLN A 5 -0.294 -14.372 3.071 1.00 1.35 C ATOM 70 CG GLN A 5 -0.434 -15.516 2.075 1.00 1.67 C ATOM 71 CD GLN A 5 0.058 -16.862 2.574 1.00 1.22 C ATOM 72 OE1 GLN A 5 -0.530 -17.437 3.486 1.00 2.74 O ATOM 73 NE2 GLN A 5 1.113 -17.413 1.990 1.00 1.56 N ATOM 0 HA GLN A 5 1.614 -13.853 2.236 1.00 1.28 H new ATOM 0 HB2 GLN A 5 -0.682 -14.685 4.041 1.00 1.35 H new ATOM 0 HB3 GLN A 5 -0.900 -13.528 2.743 1.00 1.35 H new ATOM 0 HG2 GLN A 5 -1.484 -15.610 1.797 1.00 1.67 H new ATOM 0 HG3 GLN A 5 0.114 -15.258 1.169 1.00 1.67 H new ATOM 0 HE21 GLN A 5 1.591 -16.923 1.234 1.00 1.56 H new ATOM 0 HE22 GLN A 5 1.447 -18.327 2.297 1.00 1.56 H new ATOM 82 N LYS A 6 0.703 -11.548 3.193 1.00 1.14 N ATOM 83 CA LYS A 6 0.390 -10.275 3.809 1.00 1.08 C ATOM 84 C LYS A 6 -0.905 -9.740 3.223 1.00 1.18 C ATOM 85 O LYS A 6 -1.216 -10.000 2.057 1.00 1.46 O ATOM 86 CB LYS A 6 1.572 -9.311 3.700 1.00 1.22 C ATOM 87 CG LYS A 6 1.983 -8.977 2.261 1.00 1.70 C ATOM 88 CD LYS A 6 1.209 -7.773 1.698 1.00 1.36 C ATOM 89 CE LYS A 6 2.033 -7.148 0.573 1.00 1.44 C ATOM 90 NZ LYS A 6 1.391 -5.946 0.002 1.00 2.29 N ATOM 0 H LYS A 6 0.502 -11.592 2.194 1.00 1.14 H new ATOM 0 HA LYS A 6 0.225 -10.401 4.879 1.00 1.08 H new ATOM 0 HB2 LYS A 6 1.320 -8.385 4.218 1.00 1.22 H new ATOM 0 HB3 LYS A 6 2.428 -9.743 4.219 1.00 1.22 H new ATOM 0 HG2 LYS A 6 3.052 -8.766 2.230 1.00 1.70 H new ATOM 0 HG3 LYS A 6 1.812 -9.846 1.625 1.00 1.70 H new ATOM 0 HD2 LYS A 6 0.236 -8.090 1.323 1.00 1.36 H new ATOM 0 HD3 LYS A 6 1.024 -7.041 2.484 1.00 1.36 H new ATOM 0 HE2 LYS A 6 3.019 -6.883 0.954 1.00 1.44 H new ATOM 0 HE3 LYS A 6 2.183 -7.885 -0.216 1.00 1.44 H new ATOM 0 HZ1 LYS A 6 2.107 -5.366 -0.481 1.00 2.29 H new ATOM 0 HZ2 LYS A 6 0.661 -6.233 -0.681 1.00 2.29 H new ATOM 0 HZ3 LYS A 6 0.953 -5.391 0.765 1.00 2.29 H new ATOM 104 N GLU A 7 -1.642 -8.995 4.042 1.00 1.00 N ATOM 105 CA GLU A 7 -2.828 -8.275 3.648 1.00 1.02 C ATOM 106 C GLU A 7 -2.404 -6.941 3.040 1.00 1.12 C ATOM 107 O GLU A 7 -1.382 -6.357 3.403 1.00 1.52 O ATOM 108 CB GLU A 7 -3.785 -8.084 4.843 1.00 1.09 C ATOM 109 CG GLU A 7 -3.159 -7.503 6.123 1.00 2.50 C ATOM 110 CD GLU A 7 -2.431 -8.554 6.952 1.00 2.23 C ATOM 111 OE1 GLU A 7 -1.223 -8.739 6.681 1.00 3.06 O ATOM 112 OE2 GLU A 7 -3.101 -9.179 7.799 1.00 2.34 O ATOM 0 H GLU A 7 -1.414 -8.878 5.029 1.00 1.00 H new ATOM 0 HA GLU A 7 -3.379 -8.848 2.902 1.00 1.02 H new ATOM 0 HB2 GLU A 7 -4.598 -7.429 4.530 1.00 1.09 H new ATOM 0 HB3 GLU A 7 -4.229 -9.050 5.085 1.00 1.09 H new ATOM 0 HG2 GLU A 7 -2.460 -6.711 5.853 1.00 2.50 H new ATOM 0 HG3 GLU A 7 -3.941 -7.046 6.729 1.00 2.50 H new ATOM 119 N ILE A 8 -3.200 -6.462 2.093 1.00 0.85 N ATOM 120 CA ILE A 8 -3.250 -5.061 1.710 1.00 0.81 C ATOM 121 C ILE A 8 -4.720 -4.670 1.741 1.00 0.66 C ATOM 122 O ILE A 8 -5.545 -5.426 1.229 1.00 0.55 O ATOM 123 CB ILE A 8 -2.581 -4.864 0.339 1.00 0.82 C ATOM 124 CG1 ILE A 8 -2.797 -3.474 -0.278 1.00 1.13 C ATOM 125 CG2 ILE A 8 -2.954 -5.962 -0.654 1.00 0.90 C ATOM 126 CD1 ILE A 8 -4.079 -3.309 -1.114 1.00 3.08 C ATOM 0 H ILE A 8 -3.841 -7.050 1.560 1.00 0.85 H new ATOM 0 HA ILE A 8 -2.695 -4.414 2.389 1.00 0.81 H new ATOM 0 HB ILE A 8 -1.514 -4.939 0.548 1.00 0.82 H new ATOM 0 HG12 ILE A 8 -2.812 -2.738 0.526 1.00 1.13 H new ATOM 0 HG13 ILE A 8 -1.940 -3.239 -0.910 1.00 1.13 H new ATOM 0 HG21 ILE A 8 -2.456 -5.776 -1.606 1.00 0.90 H new ATOM 0 HG22 ILE A 8 -2.639 -6.929 -0.262 1.00 0.90 H new ATOM 0 HG23 ILE A 8 -4.034 -5.965 -0.804 1.00 0.90 H new ATOM 0 HD11 ILE A 8 -4.132 -2.292 -1.502 1.00 3.08 H new ATOM 0 HD12 ILE A 8 -4.065 -4.014 -1.945 1.00 3.08 H new ATOM 0 HD13 ILE A 8 -4.949 -3.504 -0.488 1.00 3.08 H new ATOM 138 N ALA A 9 -5.048 -3.530 2.359 1.00 0.81 N ATOM 139 CA ALA A 9 -6.405 -3.003 2.425 1.00 0.69 C ATOM 140 C ALA A 9 -6.393 -1.587 1.865 1.00 0.60 C ATOM 141 O ALA A 9 -5.611 -0.765 2.334 1.00 0.73 O ATOM 142 CB ALA A 9 -6.912 -3.040 3.869 1.00 0.75 C ATOM 0 H ALA A 9 -4.363 -2.942 2.833 1.00 0.81 H new ATOM 0 HA ALA A 9 -7.086 -3.613 1.831 1.00 0.69 H new ATOM 0 HB1 ALA A 9 -7.927 -2.644 3.909 1.00 0.75 H new ATOM 0 HB2 ALA A 9 -6.909 -4.069 4.229 1.00 0.75 H new ATOM 0 HB3 ALA A 9 -6.261 -2.433 4.499 1.00 0.75 H new ATOM 148 N MET A 10 -7.204 -1.308 0.844 1.00 0.45 N ATOM 149 CA MET A 10 -7.274 0.006 0.214 1.00 0.42 C ATOM 150 C MET A 10 -8.693 0.316 -0.248 1.00 0.35 C ATOM 151 O MET A 10 -9.521 -0.581 -0.390 1.00 0.38 O ATOM 152 CB MET A 10 -6.358 0.047 -1.012 1.00 0.54 C ATOM 153 CG MET A 10 -4.875 0.199 -0.681 1.00 0.79 C ATOM 154 SD MET A 10 -3.930 0.413 -2.205 1.00 1.65 S ATOM 155 CE MET A 10 -2.275 0.267 -1.539 1.00 2.08 C ATOM 0 H MET A 10 -7.835 -1.994 0.430 1.00 0.45 H new ATOM 0 HA MET A 10 -6.961 0.743 0.953 1.00 0.42 H new ATOM 0 HB2 MET A 10 -6.498 -0.868 -1.587 1.00 0.54 H new ATOM 0 HB3 MET A 10 -6.663 0.875 -1.652 1.00 0.54 H new ATOM 0 HG2 MET A 10 -4.725 1.057 -0.025 1.00 0.79 H new ATOM 0 HG3 MET A 10 -4.521 -0.680 -0.142 1.00 0.79 H new ATOM 0 HE1 MET A 10 -1.642 -0.264 -2.250 1.00 2.08 H new ATOM 0 HE2 MET A 10 -1.865 1.261 -1.361 1.00 2.08 H new ATOM 0 HE3 MET A 10 -2.308 -0.285 -0.600 1.00 2.08 H new ATOM 165 N GLN A 11 -8.927 1.592 -0.562 1.00 0.37 N ATOM 166 CA GLN A 11 -10.187 2.108 -1.051 1.00 0.40 C ATOM 167 C GLN A 11 -10.082 2.287 -2.568 1.00 0.47 C ATOM 168 O GLN A 11 -9.200 3.011 -3.049 1.00 0.74 O ATOM 169 CB GLN A 11 -10.516 3.412 -0.305 1.00 0.52 C ATOM 170 CG GLN A 11 -11.991 3.446 0.102 1.00 0.93 C ATOM 171 CD GLN A 11 -12.290 4.651 0.985 1.00 1.30 C ATOM 172 OE1 GLN A 11 -11.889 4.712 2.140 1.00 2.83 O ATOM 173 NE2 GLN A 11 -12.989 5.650 0.454 1.00 1.97 N ATOM 0 H GLN A 11 -8.211 2.313 -0.476 1.00 0.37 H new ATOM 0 HA GLN A 11 -11.010 1.419 -0.861 1.00 0.40 H new ATOM 0 HB2 GLN A 11 -9.887 3.498 0.581 1.00 0.52 H new ATOM 0 HB3 GLN A 11 -10.289 4.268 -0.941 1.00 0.52 H new ATOM 0 HG2 GLN A 11 -12.617 3.481 -0.790 1.00 0.93 H new ATOM 0 HG3 GLN A 11 -12.246 2.529 0.634 1.00 0.93 H new ATOM 0 HE21 GLN A 11 -13.317 5.587 -0.510 1.00 1.97 H new ATOM 0 HE22 GLN A 11 -13.197 6.479 1.010 1.00 1.97 H new ATOM 182 N VAL A 12 -10.954 1.598 -3.308 1.00 0.34 N ATOM 183 CA VAL A 12 -11.006 1.566 -4.760 1.00 0.36 C ATOM 184 C VAL A 12 -12.256 2.307 -5.233 1.00 0.38 C ATOM 185 O VAL A 12 -13.234 2.390 -4.495 1.00 0.56 O ATOM 186 CB VAL A 12 -10.966 0.097 -5.223 1.00 0.44 C ATOM 187 CG1 VAL A 12 -12.135 -0.738 -4.678 1.00 0.52 C ATOM 188 CG2 VAL A 12 -10.954 -0.014 -6.748 1.00 0.53 C ATOM 0 H VAL A 12 -11.678 1.019 -2.882 1.00 0.34 H new ATOM 0 HA VAL A 12 -10.148 2.073 -5.202 1.00 0.36 H new ATOM 0 HB VAL A 12 -10.038 -0.305 -4.816 1.00 0.44 H new ATOM 0 HG11 VAL A 12 -12.050 -1.763 -5.040 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -12.108 -0.734 -3.588 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -13.078 -0.310 -5.019 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -10.926 -1.065 -7.036 1.00 0.53 H new ATOM 0 HG22 VAL A 12 -11.853 0.449 -7.154 1.00 0.53 H new ATOM 0 HG23 VAL A 12 -10.074 0.494 -7.143 1.00 0.53 H new ATOM 198 N SER A 13 -12.222 2.843 -6.457 1.00 0.33 N ATOM 199 CA SER A 13 -13.317 3.593 -7.054 1.00 0.40 C ATOM 200 C SER A 13 -13.811 2.917 -8.325 1.00 0.45 C ATOM 201 O SER A 13 -13.090 2.129 -8.936 1.00 0.62 O ATOM 202 CB SER A 13 -12.879 5.016 -7.411 1.00 0.55 C ATOM 203 OG SER A 13 -11.647 5.371 -6.813 1.00 0.80 O ATOM 0 H SER A 13 -11.411 2.762 -7.070 1.00 0.33 H new ATOM 0 HA SER A 13 -14.118 3.627 -6.316 1.00 0.40 H new ATOM 0 HB2 SER A 13 -12.792 5.105 -8.494 1.00 0.55 H new ATOM 0 HB3 SER A 13 -13.649 5.720 -7.094 1.00 0.55 H new ATOM 0 HG SER A 13 -10.935 4.799 -7.167 1.00 0.80 H new ATOM 209 N GLY A 14 -15.023 3.293 -8.742 1.00 0.53 N ATOM 210 CA GLY A 14 -15.713 2.723 -9.889 1.00 0.63 C ATOM 211 C GLY A 14 -16.634 1.581 -9.461 1.00 0.65 C ATOM 212 O GLY A 14 -17.310 0.985 -10.296 1.00 0.74 O ATOM 0 H GLY A 14 -15.561 4.023 -8.274 1.00 0.53 H new ATOM 0 HA2 GLY A 14 -16.295 3.497 -10.389 1.00 0.63 H new ATOM 0 HA3 GLY A 14 -14.984 2.356 -10.611 1.00 0.63 H new ATOM 216 N MET A 15 -16.676 1.268 -8.161 1.00 0.65 N ATOM 217 CA MET A 15 -17.560 0.235 -7.665 1.00 0.73 C ATOM 218 C MET A 15 -19.020 0.627 -7.883 1.00 0.77 C ATOM 219 O MET A 15 -19.387 1.797 -7.804 1.00 1.37 O ATOM 220 CB MET A 15 -17.286 -0.051 -6.185 1.00 0.84 C ATOM 221 CG MET A 15 -16.085 -0.990 -6.023 1.00 0.91 C ATOM 222 SD MET A 15 -15.765 -1.598 -4.348 1.00 1.68 S ATOM 223 CE MET A 15 -17.419 -2.135 -3.868 1.00 3.04 C ATOM 0 H MET A 15 -16.107 1.719 -7.445 1.00 0.65 H new ATOM 0 HA MET A 15 -17.366 -0.679 -8.226 1.00 0.73 H new ATOM 0 HB2 MET A 15 -17.095 0.884 -5.659 1.00 0.84 H new ATOM 0 HB3 MET A 15 -18.168 -0.500 -5.728 1.00 0.84 H new ATOM 0 HG2 MET A 15 -16.232 -1.849 -6.677 1.00 0.91 H new ATOM 0 HG3 MET A 15 -15.194 -0.470 -6.375 1.00 0.91 H new ATOM 0 HE1 MET A 15 -17.343 -2.977 -3.180 1.00 3.04 H new ATOM 0 HE2 MET A 15 -17.941 -1.313 -3.378 1.00 3.04 H new ATOM 0 HE3 MET A 15 -17.974 -2.440 -4.755 1.00 3.04 H new ATOM 233 N THR A 16 -19.845 -0.382 -8.163 1.00 1.22 N ATOM 234 CA THR A 16 -21.292 -0.255 -8.282 1.00 1.41 C ATOM 235 C THR A 16 -22.018 -1.183 -7.299 1.00 1.47 C ATOM 236 O THR A 16 -23.240 -1.128 -7.229 1.00 1.55 O ATOM 237 CB THR A 16 -21.690 -0.476 -9.750 1.00 1.53 C ATOM 238 OG1 THR A 16 -20.756 0.193 -10.576 1.00 1.55 O ATOM 239 CG2 THR A 16 -23.084 0.063 -10.087 1.00 1.71 C ATOM 0 H THR A 16 -19.513 -1.334 -8.317 1.00 1.22 H new ATOM 0 HA THR A 16 -21.606 0.751 -8.002 1.00 1.41 H new ATOM 0 HB THR A 16 -21.700 -1.553 -9.918 1.00 1.53 H new ATOM 0 HG1 THR A 16 -19.998 -0.400 -10.760 1.00 1.55 H new ATOM 0 HG21 THR A 16 -23.303 -0.125 -11.138 1.00 1.71 H new ATOM 0 HG22 THR A 16 -23.827 -0.437 -9.466 1.00 1.71 H new ATOM 0 HG23 THR A 16 -23.115 1.136 -9.896 1.00 1.71 H new ATOM 247 N CYS A 17 -21.269 -1.979 -6.519 1.00 1.60 N ATOM 248 CA CYS A 17 -21.771 -2.795 -5.403 1.00 1.90 C ATOM 249 C CYS A 17 -22.356 -4.109 -5.915 1.00 1.66 C ATOM 250 O CYS A 17 -23.336 -4.116 -6.656 1.00 2.36 O ATOM 251 CB CYS A 17 -22.766 -2.066 -4.487 1.00 2.99 C ATOM 252 SG CYS A 17 -23.365 -3.254 -3.265 1.00 3.83 S ATOM 0 H CYS A 17 -20.262 -2.075 -6.653 1.00 1.60 H new ATOM 0 HA CYS A 17 -20.904 -3.007 -4.777 1.00 1.90 H new ATOM 0 HB2 CYS A 17 -22.284 -1.222 -3.994 1.00 2.99 H new ATOM 0 HB3 CYS A 17 -23.596 -1.664 -5.068 1.00 2.99 H new ATOM 0 HG CYS A 17 -24.210 -2.669 -2.469 1.00 3.83 H new ATOM 258 N ALA A 18 -21.687 -5.219 -5.572 1.00 2.08 N ATOM 259 CA ALA A 18 -21.762 -6.469 -6.317 1.00 2.04 C ATOM 260 C ALA A 18 -21.318 -6.223 -7.764 1.00 1.62 C ATOM 261 O ALA A 18 -21.046 -5.085 -8.143 1.00 2.72 O ATOM 262 CB ALA A 18 -23.152 -7.111 -6.211 1.00 2.90 C ATOM 0 H ALA A 18 -21.073 -5.267 -4.759 1.00 2.08 H new ATOM 0 HA ALA A 18 -21.078 -7.195 -5.877 1.00 2.04 H new ATOM 0 HB1 ALA A 18 -23.168 -8.041 -6.780 1.00 2.90 H new ATOM 0 HB2 ALA A 18 -23.377 -7.321 -5.165 1.00 2.90 H new ATOM 0 HB3 ALA A 18 -23.900 -6.427 -6.613 1.00 2.90 H new ATOM 268 N ALA A 19 -21.186 -7.293 -8.555 1.00 1.34 N ATOM 269 CA ALA A 19 -20.774 -7.256 -9.957 1.00 1.01 C ATOM 270 C ALA A 19 -19.372 -6.665 -10.161 1.00 0.83 C ATOM 271 O ALA A 19 -18.448 -7.403 -10.490 1.00 0.80 O ATOM 272 CB ALA A 19 -21.831 -6.567 -10.826 1.00 1.69 C ATOM 0 H ALA A 19 -21.370 -8.240 -8.223 1.00 1.34 H new ATOM 0 HA ALA A 19 -20.699 -8.292 -10.288 1.00 1.01 H new ATOM 0 HB1 ALA A 19 -21.497 -6.554 -11.864 1.00 1.69 H new ATOM 0 HB2 ALA A 19 -22.772 -7.112 -10.754 1.00 1.69 H new ATOM 0 HB3 ALA A 19 -21.977 -5.544 -10.479 1.00 1.69 H new ATOM 278 N CYS A 20 -19.201 -5.353 -9.967 1.00 0.77 N ATOM 279 CA CYS A 20 -17.958 -4.632 -10.157 1.00 0.76 C ATOM 280 C CYS A 20 -16.889 -5.269 -9.285 1.00 0.60 C ATOM 281 O CYS A 20 -15.939 -5.883 -9.767 1.00 0.60 O ATOM 282 CB CYS A 20 -18.190 -3.165 -9.760 1.00 0.88 C ATOM 283 SG CYS A 20 -18.983 -2.298 -11.137 1.00 1.06 S ATOM 0 H CYS A 20 -19.963 -4.748 -9.661 1.00 0.77 H new ATOM 0 HA CYS A 20 -17.629 -4.673 -11.195 1.00 0.76 H new ATOM 0 HB2 CYS A 20 -18.817 -3.111 -8.870 1.00 0.88 H new ATOM 0 HB3 CYS A 20 -17.242 -2.688 -9.511 1.00 0.88 H new ATOM 0 HG CYS A 20 -18.135 -1.473 -11.676 1.00 1.06 H new ATOM 289 N ALA A 21 -17.089 -5.160 -7.973 1.00 0.57 N ATOM 290 CA ALA A 21 -16.170 -5.702 -6.995 1.00 0.59 C ATOM 291 C ALA A 21 -15.992 -7.202 -7.216 1.00 0.61 C ATOM 292 O ALA A 21 -14.872 -7.689 -7.301 1.00 0.54 O ATOM 293 CB ALA A 21 -16.686 -5.377 -5.599 1.00 0.94 C ATOM 0 H ALA A 21 -17.898 -4.691 -7.565 1.00 0.57 H new ATOM 0 HA ALA A 21 -15.185 -5.248 -7.105 1.00 0.59 H new ATOM 0 HB1 ALA A 21 -16.000 -5.781 -4.854 1.00 0.94 H new ATOM 0 HB2 ALA A 21 -16.755 -4.296 -5.479 1.00 0.94 H new ATOM 0 HB3 ALA A 21 -17.672 -5.821 -5.463 1.00 0.94 H new ATOM 299 N ALA A 22 -17.100 -7.932 -7.368 1.00 0.78 N ATOM 300 CA ALA A 22 -17.067 -9.366 -7.612 1.00 0.88 C ATOM 301 C ALA A 22 -16.155 -9.720 -8.790 1.00 0.81 C ATOM 302 O ALA A 22 -15.390 -10.678 -8.705 1.00 0.87 O ATOM 303 CB ALA A 22 -18.488 -9.888 -7.838 1.00 1.07 C ATOM 0 H ALA A 22 -18.041 -7.541 -7.325 1.00 0.78 H new ATOM 0 HA ALA A 22 -16.649 -9.852 -6.731 1.00 0.88 H new ATOM 0 HB1 ALA A 22 -18.456 -10.962 -8.020 1.00 1.07 H new ATOM 0 HB2 ALA A 22 -19.094 -9.687 -6.955 1.00 1.07 H new ATOM 0 HB3 ALA A 22 -18.927 -9.387 -8.701 1.00 1.07 H new ATOM 309 N ARG A 23 -16.217 -8.957 -9.887 1.00 0.75 N ATOM 310 CA ARG A 23 -15.356 -9.168 -11.034 1.00 0.79 C ATOM 311 C ARG A 23 -13.899 -8.984 -10.642 1.00 0.68 C ATOM 312 O ARG A 23 -13.065 -9.808 -11.018 1.00 0.75 O ATOM 313 CB ARG A 23 -15.733 -8.218 -12.181 1.00 0.82 C ATOM 314 CG ARG A 23 -16.643 -8.894 -13.209 1.00 1.01 C ATOM 315 CD ARG A 23 -15.915 -10.079 -13.864 1.00 1.17 C ATOM 316 NE ARG A 23 -16.246 -10.183 -15.296 1.00 1.46 N ATOM 317 CZ ARG A 23 -15.562 -10.905 -16.199 1.00 1.69 C ATOM 318 NH1 ARG A 23 -14.529 -11.659 -15.806 1.00 2.25 N ATOM 319 NH2 ARG A 23 -15.914 -10.869 -17.490 1.00 1.91 N ATOM 0 H ARG A 23 -16.868 -8.179 -9.995 1.00 0.75 H new ATOM 0 HA ARG A 23 -15.494 -10.191 -11.384 1.00 0.79 H new ATOM 0 HB2 ARG A 23 -16.235 -7.340 -11.774 1.00 0.82 H new ATOM 0 HB3 ARG A 23 -14.826 -7.867 -12.674 1.00 0.82 H new ATOM 0 HG2 ARG A 23 -17.556 -9.241 -12.725 1.00 1.01 H new ATOM 0 HG3 ARG A 23 -16.940 -8.174 -13.971 1.00 1.01 H new ATOM 0 HD2 ARG A 23 -14.838 -9.958 -13.745 1.00 1.17 H new ATOM 0 HD3 ARG A 23 -16.190 -11.004 -13.357 1.00 1.17 H new ATOM 0 HE ARG A 23 -17.060 -9.665 -15.628 1.00 1.46 H new ATOM 0 HH11 ARG A 23 -14.262 -11.685 -14.822 1.00 2.25 H new ATOM 0 HH12 ARG A 23 -14.009 -12.208 -16.490 1.00 2.25 H new ATOM 0 HH21 ARG A 23 -16.702 -10.293 -17.788 1.00 1.91 H new ATOM 0 HH22 ARG A 23 -15.395 -11.417 -18.176 1.00 1.91 H new ATOM 333 N ILE A 24 -13.593 -7.914 -9.903 1.00 0.55 N ATOM 334 CA ILE A 24 -12.249 -7.673 -9.422 1.00 0.51 C ATOM 335 C ILE A 24 -11.819 -8.879 -8.596 1.00 0.47 C ATOM 336 O ILE A 24 -10.896 -9.582 -8.996 1.00 0.54 O ATOM 337 CB ILE A 24 -12.175 -6.340 -8.658 1.00 0.50 C ATOM 338 CG1 ILE A 24 -12.634 -5.173 -9.552 1.00 0.71 C ATOM 339 CG2 ILE A 24 -10.758 -6.074 -8.174 1.00 0.57 C ATOM 340 CD1 ILE A 24 -12.847 -3.877 -8.770 1.00 0.58 C ATOM 0 H ILE A 24 -14.270 -7.202 -9.629 1.00 0.55 H new ATOM 0 HA ILE A 24 -11.548 -7.566 -10.250 1.00 0.51 H new ATOM 0 HB ILE A 24 -12.839 -6.415 -7.797 1.00 0.50 H new ATOM 0 HG12 ILE A 24 -11.891 -5.004 -10.331 1.00 0.71 H new ATOM 0 HG13 ILE A 24 -13.563 -5.448 -10.052 1.00 0.71 H new ATOM 0 HG21 ILE A 24 -10.729 -5.126 -7.636 1.00 0.57 H new ATOM 0 HG22 ILE A 24 -10.444 -6.878 -7.509 1.00 0.57 H new ATOM 0 HG23 ILE A 24 -10.084 -6.027 -9.029 1.00 0.57 H new ATOM 0 HD11 ILE A 24 -13.170 -3.090 -9.451 1.00 0.58 H new ATOM 0 HD12 ILE A 24 -13.611 -4.033 -8.008 1.00 0.58 H new ATOM 0 HD13 ILE A 24 -11.913 -3.583 -8.292 1.00 0.58 H new ATOM 352 N GLU A 25 -12.507 -9.178 -7.494 1.00 0.51 N ATOM 353 CA GLU A 25 -12.095 -10.228 -6.589 1.00 0.60 C ATOM 354 C GLU A 25 -11.954 -11.558 -7.321 1.00 0.68 C ATOM 355 O GLU A 25 -10.940 -12.231 -7.156 1.00 0.65 O ATOM 356 CB GLU A 25 -13.057 -10.300 -5.398 1.00 0.91 C ATOM 357 CG GLU A 25 -13.156 -8.952 -4.667 1.00 0.96 C ATOM 358 CD GLU A 25 -11.796 -8.331 -4.385 1.00 2.78 C ATOM 359 OE1 GLU A 25 -11.028 -8.982 -3.648 1.00 3.52 O ATOM 360 OE2 GLU A 25 -11.537 -7.248 -4.953 1.00 4.04 O ATOM 0 H GLU A 25 -13.361 -8.696 -7.213 1.00 0.51 H new ATOM 0 HA GLU A 25 -11.107 -9.995 -6.193 1.00 0.60 H new ATOM 0 HB2 GLU A 25 -14.046 -10.599 -5.746 1.00 0.91 H new ATOM 0 HB3 GLU A 25 -12.718 -11.068 -4.702 1.00 0.91 H new ATOM 0 HG2 GLU A 25 -13.748 -8.261 -5.268 1.00 0.96 H new ATOM 0 HG3 GLU A 25 -13.688 -9.093 -3.726 1.00 0.96 H new ATOM 367 N LYS A 26 -12.921 -11.929 -8.166 1.00 0.83 N ATOM 368 CA LYS A 26 -12.820 -13.127 -8.980 1.00 0.96 C ATOM 369 C LYS A 26 -11.558 -13.085 -9.852 1.00 0.92 C ATOM 370 O LYS A 26 -10.820 -14.065 -9.927 1.00 1.04 O ATOM 371 CB LYS A 26 -14.092 -13.320 -9.823 1.00 1.05 C ATOM 372 CG LYS A 26 -14.139 -14.769 -10.327 1.00 1.30 C ATOM 373 CD LYS A 26 -14.776 -14.918 -11.717 1.00 1.20 C ATOM 374 CE LYS A 26 -16.309 -14.822 -11.715 1.00 1.51 C ATOM 375 NZ LYS A 26 -16.951 -16.049 -11.194 1.00 2.59 N ATOM 0 H LYS A 26 -13.787 -11.406 -8.299 1.00 0.83 H new ATOM 0 HA LYS A 26 -12.732 -13.990 -8.320 1.00 0.96 H new ATOM 0 HB2 LYS A 26 -14.977 -13.100 -9.226 1.00 1.05 H new ATOM 0 HB3 LYS A 26 -14.095 -12.628 -10.665 1.00 1.05 H new ATOM 0 HG2 LYS A 26 -13.125 -15.167 -10.357 1.00 1.30 H new ATOM 0 HG3 LYS A 26 -14.698 -15.375 -9.614 1.00 1.30 H new ATOM 0 HD2 LYS A 26 -14.375 -14.146 -12.374 1.00 1.20 H new ATOM 0 HD3 LYS A 26 -14.483 -15.880 -12.139 1.00 1.20 H new ATOM 0 HE2 LYS A 26 -16.616 -13.969 -11.109 1.00 1.51 H new ATOM 0 HE3 LYS A 26 -16.660 -14.635 -12.730 1.00 1.51 H new ATOM 0 HZ1 LYS A 26 -17.985 -15.935 -11.213 1.00 2.59 H new ATOM 0 HZ2 LYS A 26 -16.681 -16.860 -11.786 1.00 2.59 H new ATOM 0 HZ3 LYS A 26 -16.639 -16.216 -10.216 1.00 2.59 H new ATOM 389 N GLY A 27 -11.321 -11.961 -10.532 1.00 0.82 N ATOM 390 CA GLY A 27 -10.159 -11.778 -11.384 1.00 0.84 C ATOM 391 C GLY A 27 -8.866 -11.953 -10.591 1.00 0.77 C ATOM 392 O GLY A 27 -7.973 -12.694 -10.995 1.00 0.98 O ATOM 0 H GLY A 27 -11.939 -11.150 -10.502 1.00 0.82 H new ATOM 0 HA2 GLY A 27 -10.187 -12.497 -12.203 1.00 0.84 H new ATOM 0 HA3 GLY A 27 -10.184 -10.784 -11.831 1.00 0.84 H new ATOM 396 N LEU A 28 -8.754 -11.284 -9.449 1.00 0.56 N ATOM 397 CA LEU A 28 -7.571 -11.351 -8.609 1.00 0.47 C ATOM 398 C LEU A 28 -7.405 -12.767 -8.047 1.00 0.57 C ATOM 399 O LEU A 28 -6.285 -13.269 -7.985 1.00 0.61 O ATOM 400 CB LEU A 28 -7.634 -10.261 -7.521 1.00 0.43 C ATOM 401 CG LEU A 28 -7.202 -8.849 -7.985 1.00 0.55 C ATOM 402 CD1 LEU A 28 -5.712 -8.822 -8.337 1.00 1.49 C ATOM 403 CD2 LEU A 28 -8.029 -8.262 -9.128 1.00 1.70 C ATOM 0 H LEU A 28 -9.487 -10.678 -9.081 1.00 0.56 H new ATOM 0 HA LEU A 28 -6.678 -11.147 -9.200 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -8.654 -10.206 -7.141 1.00 0.43 H new ATOM 0 HB3 LEU A 28 -7.000 -10.563 -6.688 1.00 0.43 H new ATOM 0 HG LEU A 28 -7.395 -8.204 -7.128 1.00 0.55 H new ATOM 0 HD11 LEU A 28 -5.433 -7.819 -8.660 1.00 1.49 H new ATOM 0 HD12 LEU A 28 -5.126 -9.097 -7.460 1.00 1.49 H new ATOM 0 HD13 LEU A 28 -5.515 -9.530 -9.142 1.00 1.49 H new ATOM 0 HD21 LEU A 28 -7.649 -7.272 -9.381 1.00 1.70 H new ATOM 0 HD22 LEU A 28 -7.957 -8.912 -10.000 1.00 1.70 H new ATOM 0 HD23 LEU A 28 -9.071 -8.183 -8.820 1.00 1.70 H new ATOM 415 N LYS A 29 -8.512 -13.453 -7.735 1.00 0.64 N ATOM 416 CA LYS A 29 -8.513 -14.863 -7.351 1.00 0.77 C ATOM 417 C LYS A 29 -7.844 -15.757 -8.413 1.00 0.84 C ATOM 418 O LYS A 29 -7.505 -16.900 -8.121 1.00 0.96 O ATOM 419 CB LYS A 29 -9.929 -15.369 -7.002 1.00 0.89 C ATOM 420 CG LYS A 29 -9.929 -16.284 -5.764 1.00 0.95 C ATOM 421 CD LYS A 29 -10.043 -15.508 -4.434 1.00 1.20 C ATOM 422 CE LYS A 29 -11.507 -15.127 -4.131 1.00 1.24 C ATOM 423 NZ LYS A 29 -11.692 -14.469 -2.816 1.00 2.24 N ATOM 0 H LYS A 29 -9.442 -13.035 -7.744 1.00 0.64 H new ATOM 0 HA LYS A 29 -7.911 -14.934 -6.445 1.00 0.77 H new ATOM 0 HB2 LYS A 29 -10.584 -14.516 -6.822 1.00 0.89 H new ATOM 0 HB3 LYS A 29 -10.339 -15.912 -7.853 1.00 0.89 H new ATOM 0 HG2 LYS A 29 -10.759 -16.987 -5.840 1.00 0.95 H new ATOM 0 HG3 LYS A 29 -9.012 -16.873 -5.756 1.00 0.95 H new ATOM 0 HD2 LYS A 29 -9.647 -16.116 -3.621 1.00 1.20 H new ATOM 0 HD3 LYS A 29 -9.433 -14.606 -4.483 1.00 1.20 H new ATOM 0 HE2 LYS A 29 -11.869 -14.461 -4.914 1.00 1.24 H new ATOM 0 HE3 LYS A 29 -12.122 -16.026 -4.167 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 -12.672 -14.604 -2.495 1.00 2.24 H new ATOM 0 HZ2 LYS A 29 -11.040 -14.888 -2.123 1.00 2.24 H new ATOM 0 HZ3 LYS A 29 -11.494 -13.452 -2.906 1.00 2.24 H new ATOM 437 N ARG A 30 -7.681 -15.272 -9.650 1.00 0.81 N ATOM 438 CA ARG A 30 -6.987 -15.997 -10.705 1.00 0.92 C ATOM 439 C ARG A 30 -5.465 -16.047 -10.478 1.00 0.82 C ATOM 440 O ARG A 30 -4.799 -16.915 -11.040 1.00 0.89 O ATOM 441 CB ARG A 30 -7.301 -15.326 -12.053 1.00 1.03 C ATOM 442 CG ARG A 30 -7.271 -16.302 -13.239 1.00 1.27 C ATOM 443 CD ARG A 30 -8.685 -16.849 -13.497 1.00 2.03 C ATOM 444 NE ARG A 30 -8.713 -17.902 -14.529 1.00 2.59 N ATOM 445 CZ ARG A 30 -8.683 -17.705 -15.859 1.00 2.28 C ATOM 446 NH1 ARG A 30 -8.487 -16.475 -16.346 1.00 2.35 N ATOM 447 NH2 ARG A 30 -8.856 -18.735 -16.694 1.00 2.97 N ATOM 0 H ARG A 30 -8.031 -14.360 -9.942 1.00 0.81 H new ATOM 0 HA ARG A 30 -7.339 -17.029 -10.700 1.00 0.92 H new ATOM 0 HB2 ARG A 30 -8.285 -14.861 -11.999 1.00 1.03 H new ATOM 0 HB3 ARG A 30 -6.580 -14.528 -12.230 1.00 1.03 H new ATOM 0 HG2 ARG A 30 -6.899 -15.796 -14.130 1.00 1.27 H new ATOM 0 HG3 ARG A 30 -6.586 -17.123 -13.029 1.00 1.27 H new ATOM 0 HD2 ARG A 30 -9.090 -17.248 -12.567 1.00 2.03 H new ATOM 0 HD3 ARG A 30 -9.336 -16.030 -13.803 1.00 2.03 H new ATOM 0 HE ARG A 30 -8.759 -18.868 -14.204 1.00 2.59 H new ATOM 0 HH11 ARG A 30 -8.361 -15.688 -15.709 1.00 2.35 H new ATOM 0 HH12 ARG A 30 -8.464 -16.323 -17.354 1.00 2.35 H new ATOM 0 HH21 ARG A 30 -9.011 -19.672 -16.323 1.00 2.97 H new ATOM 0 HH22 ARG A 30 -8.833 -18.583 -17.702 1.00 2.97 H new ATOM 461 N MET A 31 -4.888 -15.089 -9.740 1.00 0.66 N ATOM 462 CA MET A 31 -3.432 -14.976 -9.598 1.00 0.59 C ATOM 463 C MET A 31 -2.905 -16.075 -8.660 1.00 0.53 C ATOM 464 O MET A 31 -3.578 -16.405 -7.692 1.00 0.58 O ATOM 465 CB MET A 31 -3.072 -13.576 -9.079 1.00 0.57 C ATOM 466 CG MET A 31 -3.491 -12.442 -10.033 1.00 0.89 C ATOM 467 SD MET A 31 -2.166 -11.651 -10.997 1.00 1.39 S ATOM 468 CE MET A 31 -1.609 -13.017 -12.038 1.00 1.56 C ATOM 0 H MET A 31 -5.412 -14.378 -9.230 1.00 0.66 H new ATOM 0 HA MET A 31 -2.958 -15.113 -10.570 1.00 0.59 H new ATOM 0 HB2 MET A 31 -3.550 -13.422 -8.112 1.00 0.57 H new ATOM 0 HB3 MET A 31 -1.996 -13.523 -8.915 1.00 0.57 H new ATOM 0 HG2 MET A 31 -4.228 -12.840 -10.731 1.00 0.89 H new ATOM 0 HG3 MET A 31 -3.991 -11.671 -9.446 1.00 0.89 H new ATOM 0 HE1 MET A 31 -1.152 -12.621 -12.945 1.00 1.56 H new ATOM 0 HE2 MET A 31 -0.877 -13.614 -11.494 1.00 1.56 H new ATOM 0 HE3 MET A 31 -2.461 -13.642 -12.304 1.00 1.56 H new ATOM 478 N PRO A 32 -1.719 -16.657 -8.906 1.00 0.66 N ATOM 479 CA PRO A 32 -1.277 -17.851 -8.198 1.00 0.75 C ATOM 480 C PRO A 32 -0.998 -17.575 -6.719 1.00 0.77 C ATOM 481 O PRO A 32 -1.357 -18.389 -5.872 1.00 1.25 O ATOM 482 CB PRO A 32 -0.033 -18.339 -8.942 1.00 0.99 C ATOM 483 CG PRO A 32 0.532 -17.061 -9.560 1.00 1.00 C ATOM 484 CD PRO A 32 -0.723 -16.246 -9.879 1.00 0.84 C ATOM 0 HA PRO A 32 -2.054 -18.615 -8.191 1.00 0.75 H new ATOM 0 HB2 PRO A 32 0.681 -18.809 -8.266 1.00 0.99 H new ATOM 0 HB3 PRO A 32 -0.284 -19.077 -9.704 1.00 0.99 H new ATOM 0 HG2 PRO A 32 1.189 -16.535 -8.868 1.00 1.00 H new ATOM 0 HG3 PRO A 32 1.115 -17.270 -10.457 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.524 -15.177 -9.807 1.00 0.84 H new ATOM 0 HD3 PRO A 32 -1.066 -16.438 -10.895 1.00 0.84 H new ATOM 492 N GLY A 33 -0.402 -16.424 -6.390 1.00 0.70 N ATOM 493 CA GLY A 33 -0.055 -16.117 -5.015 1.00 0.68 C ATOM 494 C GLY A 33 -1.275 -15.716 -4.197 1.00 0.64 C ATOM 495 O GLY A 33 -1.146 -15.506 -2.992 1.00 0.68 O ATOM 0 H GLY A 33 -0.154 -15.697 -7.061 1.00 0.70 H new ATOM 0 HA2 GLY A 33 0.419 -16.985 -4.558 1.00 0.68 H new ATOM 0 HA3 GLY A 33 0.676 -15.309 -4.997 1.00 0.68 H new ATOM 499 N VAL A 34 -2.445 -15.540 -4.823 1.00 0.68 N ATOM 500 CA VAL A 34 -3.626 -15.114 -4.098 1.00 0.66 C ATOM 501 C VAL A 34 -4.002 -16.173 -3.074 1.00 0.76 C ATOM 502 O VAL A 34 -4.031 -17.365 -3.372 1.00 1.27 O ATOM 503 CB VAL A 34 -4.767 -14.761 -5.062 1.00 0.80 C ATOM 504 CG1 VAL A 34 -5.509 -16.010 -5.547 1.00 2.25 C ATOM 505 CG2 VAL A 34 -5.753 -13.784 -4.409 1.00 1.97 C ATOM 0 H VAL A 34 -2.589 -15.687 -5.822 1.00 0.68 H new ATOM 0 HA VAL A 34 -3.413 -14.196 -3.549 1.00 0.66 H new ATOM 0 HB VAL A 34 -4.315 -14.280 -5.930 1.00 0.80 H new ATOM 0 HG11 VAL A 34 -6.309 -15.717 -6.227 1.00 2.25 H new ATOM 0 HG12 VAL A 34 -4.813 -16.668 -6.068 1.00 2.25 H new ATOM 0 HG13 VAL A 34 -5.934 -16.536 -4.692 1.00 2.25 H new ATOM 0 HG21 VAL A 34 -6.552 -13.549 -5.112 1.00 1.97 H new ATOM 0 HG22 VAL A 34 -6.178 -14.240 -3.515 1.00 1.97 H new ATOM 0 HG23 VAL A 34 -5.230 -12.868 -4.135 1.00 1.97 H new ATOM 515 N THR A 35 -4.254 -15.730 -1.851 1.00 0.47 N ATOM 516 CA THR A 35 -4.659 -16.603 -0.772 1.00 0.65 C ATOM 517 C THR A 35 -6.120 -16.313 -0.482 1.00 0.78 C ATOM 518 O THR A 35 -6.929 -17.237 -0.432 1.00 1.00 O ATOM 519 CB THR A 35 -3.743 -16.358 0.415 1.00 0.80 C ATOM 520 OG1 THR A 35 -2.408 -16.376 -0.057 1.00 0.94 O ATOM 521 CG2 THR A 35 -3.914 -17.431 1.493 1.00 1.18 C ATOM 0 H THR A 35 -4.181 -14.748 -1.583 1.00 0.47 H new ATOM 0 HA THR A 35 -4.571 -17.660 -1.022 1.00 0.65 H new ATOM 0 HB THR A 35 -3.993 -15.397 0.865 1.00 0.80 H new ATOM 0 HG1 THR A 35 -1.955 -17.179 0.274 1.00 0.94 H new ATOM 0 HG21 THR A 35 -3.242 -17.221 2.325 1.00 1.18 H new ATOM 0 HG22 THR A 35 -4.944 -17.428 1.849 1.00 1.18 H new ATOM 0 HG23 THR A 35 -3.678 -18.409 1.074 1.00 1.18 H new ATOM 529 N ASP A 36 -6.468 -15.024 -0.379 1.00 0.68 N ATOM 530 CA ASP A 36 -7.847 -14.610 -0.508 1.00 0.70 C ATOM 531 C ASP A 36 -7.917 -13.181 -1.042 1.00 0.69 C ATOM 532 O ASP A 36 -6.916 -12.470 -1.106 1.00 1.21 O ATOM 533 CB ASP A 36 -8.592 -14.790 0.822 1.00 0.75 C ATOM 534 CG ASP A 36 -10.105 -14.780 0.636 1.00 0.92 C ATOM 535 OD1 ASP A 36 -10.555 -14.813 -0.536 1.00 2.18 O ATOM 536 OD2 ASP A 36 -10.815 -14.666 1.653 1.00 1.97 O ATOM 0 H ASP A 36 -5.810 -14.264 -0.208 1.00 0.68 H new ATOM 0 HA ASP A 36 -8.353 -15.247 -1.233 1.00 0.70 H new ATOM 0 HB2 ASP A 36 -8.290 -15.731 1.282 1.00 0.75 H new ATOM 0 HB3 ASP A 36 -8.306 -13.993 1.508 1.00 0.75 H new ATOM 541 N ALA A 37 -9.107 -12.776 -1.465 1.00 0.66 N ATOM 542 CA ALA A 37 -9.396 -11.498 -2.082 1.00 0.53 C ATOM 543 C ALA A 37 -10.825 -11.167 -1.686 1.00 0.54 C ATOM 544 O ALA A 37 -11.728 -11.934 -2.045 1.00 0.63 O ATOM 545 CB ALA A 37 -9.205 -11.617 -3.601 1.00 0.59 C ATOM 0 H ALA A 37 -9.936 -13.364 -1.380 1.00 0.66 H new ATOM 0 HA ALA A 37 -8.731 -10.698 -1.756 1.00 0.53 H new ATOM 0 HB1 ALA A 37 -9.421 -10.658 -4.071 1.00 0.59 H new ATOM 0 HB2 ALA A 37 -8.176 -11.903 -3.817 1.00 0.59 H new ATOM 0 HB3 ALA A 37 -9.882 -12.375 -3.995 1.00 0.59 H new ATOM 551 N ASN A 38 -11.012 -10.131 -0.861 1.00 0.52 N ATOM 552 CA ASN A 38 -12.322 -9.710 -0.393 1.00 0.53 C ATOM 553 C ASN A 38 -12.480 -8.208 -0.587 1.00 0.52 C ATOM 554 O ASN A 38 -11.533 -7.479 -0.876 1.00 0.40 O ATOM 555 CB ASN A 38 -12.553 -10.024 1.094 1.00 0.57 C ATOM 556 CG ASN A 38 -11.888 -11.279 1.631 1.00 1.05 C ATOM 557 OD1 ASN A 38 -11.157 -11.203 2.616 1.00 2.56 O ATOM 558 ND2 ASN A 38 -12.158 -12.424 1.015 1.00 0.87 N ATOM 0 H ASN A 38 -10.247 -9.561 -0.501 1.00 0.52 H new ATOM 0 HA ASN A 38 -13.054 -10.267 -0.978 1.00 0.53 H new ATOM 0 HB2 ASN A 38 -12.203 -9.175 1.681 1.00 0.57 H new ATOM 0 HB3 ASN A 38 -13.627 -10.108 1.263 1.00 0.57 H new ATOM 0 HD21 ASN A 38 -11.752 -13.295 1.356 1.00 0.87 H new ATOM 0 HD22 ASN A 38 -12.772 -12.432 0.200 1.00 0.87 H new ATOM 565 N VAL A 39 -13.705 -7.738 -0.369 1.00 0.76 N ATOM 566 CA VAL A 39 -14.065 -6.352 -0.549 1.00 0.72 C ATOM 567 C VAL A 39 -15.221 -6.033 0.383 1.00 0.99 C ATOM 568 O VAL A 39 -16.341 -6.514 0.209 1.00 1.22 O ATOM 569 CB VAL A 39 -14.343 -6.083 -2.037 1.00 0.80 C ATOM 570 CG1 VAL A 39 -15.437 -7.001 -2.611 1.00 1.21 C ATOM 571 CG2 VAL A 39 -14.669 -4.602 -2.270 1.00 0.79 C ATOM 0 H VAL A 39 -14.480 -8.325 -0.058 1.00 0.76 H new ATOM 0 HA VAL A 39 -13.253 -5.677 -0.280 1.00 0.72 H new ATOM 0 HB VAL A 39 -13.430 -6.322 -2.582 1.00 0.80 H new ATOM 0 HG11 VAL A 39 -15.592 -6.767 -3.664 1.00 1.21 H new ATOM 0 HG12 VAL A 39 -15.128 -8.042 -2.512 1.00 1.21 H new ATOM 0 HG13 VAL A 39 -16.367 -6.845 -2.064 1.00 1.21 H new ATOM 0 HG21 VAL A 39 -14.862 -4.434 -3.330 1.00 0.79 H new ATOM 0 HG22 VAL A 39 -15.552 -4.329 -1.692 1.00 0.79 H new ATOM 0 HG23 VAL A 39 -13.825 -3.989 -1.954 1.00 0.79 H new ATOM 581 N ASN A 40 -14.951 -5.171 1.359 1.00 1.02 N ATOM 582 CA ASN A 40 -15.979 -4.629 2.220 1.00 1.24 C ATOM 583 C ASN A 40 -16.629 -3.531 1.400 1.00 1.15 C ATOM 584 O ASN A 40 -16.364 -2.346 1.592 1.00 1.00 O ATOM 585 CB ASN A 40 -15.374 -4.058 3.510 1.00 1.30 C ATOM 586 CG ASN A 40 -15.314 -5.045 4.665 1.00 1.75 C ATOM 587 OD1 ASN A 40 -15.535 -6.241 4.511 1.00 1.83 O ATOM 588 ND2 ASN A 40 -15.054 -4.523 5.858 1.00 2.76 N ATOM 0 H ASN A 40 -14.012 -4.833 1.569 1.00 1.02 H new ATOM 0 HA ASN A 40 -16.693 -5.391 2.532 1.00 1.24 H new ATOM 0 HB2 ASN A 40 -14.365 -3.703 3.298 1.00 1.30 H new ATOM 0 HB3 ASN A 40 -15.958 -3.191 3.819 1.00 1.30 H new ATOM 0 HD21 ASN A 40 -15.034 -5.122 6.683 1.00 2.76 H new ATOM 0 HD22 ASN A 40 -14.875 -3.523 5.949 1.00 2.76 H new ATOM 595 N LEU A 41 -17.504 -3.943 0.480 1.00 1.28 N ATOM 596 CA LEU A 41 -18.287 -3.034 -0.341 1.00 1.28 C ATOM 597 C LEU A 41 -19.086 -2.050 0.511 1.00 1.25 C ATOM 598 O LEU A 41 -19.370 -0.941 0.074 1.00 1.19 O ATOM 599 CB LEU A 41 -19.126 -3.820 -1.362 1.00 1.51 C ATOM 600 CG LEU A 41 -20.295 -4.651 -0.822 1.00 1.79 C ATOM 601 CD1 LEU A 41 -21.501 -3.786 -0.431 1.00 2.17 C ATOM 602 CD2 LEU A 41 -20.731 -5.638 -1.914 1.00 1.79 C ATOM 0 H LEU A 41 -17.686 -4.928 0.287 1.00 1.28 H new ATOM 0 HA LEU A 41 -17.612 -2.408 -0.925 1.00 1.28 H new ATOM 0 HB2 LEU A 41 -19.524 -3.111 -2.088 1.00 1.51 H new ATOM 0 HB3 LEU A 41 -18.458 -4.490 -1.903 1.00 1.51 H new ATOM 0 HG LEU A 41 -19.954 -5.165 0.077 1.00 1.79 H new ATOM 0 HD11 LEU A 41 -22.300 -4.425 -0.055 1.00 2.17 H new ATOM 0 HD12 LEU A 41 -21.206 -3.079 0.345 1.00 2.17 H new ATOM 0 HD13 LEU A 41 -21.855 -3.239 -1.305 1.00 2.17 H new ATOM 0 HD21 LEU A 41 -21.563 -6.240 -1.549 1.00 1.79 H new ATOM 0 HD22 LEU A 41 -21.044 -5.085 -2.800 1.00 1.79 H new ATOM 0 HD23 LEU A 41 -19.896 -6.290 -2.169 1.00 1.79 H new ATOM 614 N ALA A 42 -19.376 -2.429 1.758 1.00 1.36 N ATOM 615 CA ALA A 42 -20.026 -1.575 2.733 1.00 1.42 C ATOM 616 C ALA A 42 -19.235 -0.285 2.965 1.00 1.16 C ATOM 617 O ALA A 42 -19.832 0.752 3.240 1.00 1.16 O ATOM 618 CB ALA A 42 -20.208 -2.349 4.042 1.00 1.70 C ATOM 0 H ALA A 42 -19.158 -3.358 2.117 1.00 1.36 H new ATOM 0 HA ALA A 42 -21.003 -1.284 2.347 1.00 1.42 H new ATOM 0 HB1 ALA A 42 -20.696 -1.710 4.778 1.00 1.70 H new ATOM 0 HB2 ALA A 42 -20.823 -3.230 3.861 1.00 1.70 H new ATOM 0 HB3 ALA A 42 -19.234 -2.658 4.420 1.00 1.70 H new ATOM 624 N THR A 43 -17.902 -0.356 2.879 1.00 1.00 N ATOM 625 CA THR A 43 -17.015 0.798 3.004 1.00 0.86 C ATOM 626 C THR A 43 -16.167 1.007 1.737 1.00 0.65 C ATOM 627 O THR A 43 -15.259 1.835 1.742 1.00 0.69 O ATOM 628 CB THR A 43 -16.159 0.611 4.270 1.00 1.05 C ATOM 629 OG1 THR A 43 -15.768 -0.742 4.410 1.00 0.99 O ATOM 630 CG2 THR A 43 -16.977 0.977 5.515 1.00 1.54 C ATOM 0 H THR A 43 -17.405 -1.232 2.718 1.00 1.00 H new ATOM 0 HA THR A 43 -17.603 1.710 3.106 1.00 0.86 H new ATOM 0 HB THR A 43 -15.283 1.253 4.175 1.00 1.05 H new ATOM 0 HG1 THR A 43 -15.223 -0.843 5.218 1.00 0.99 H new ATOM 0 HG21 THR A 43 -16.364 0.842 6.406 1.00 1.54 H new ATOM 0 HG22 THR A 43 -17.296 2.017 5.448 1.00 1.54 H new ATOM 0 HG23 THR A 43 -17.854 0.332 5.577 1.00 1.54 H new ATOM 638 N GLU A 44 -16.466 0.279 0.651 1.00 0.67 N ATOM 639 CA GLU A 44 -15.672 0.252 -0.576 1.00 0.66 C ATOM 640 C GLU A 44 -14.186 -0.010 -0.287 1.00 0.59 C ATOM 641 O GLU A 44 -13.316 0.547 -0.958 1.00 0.85 O ATOM 642 CB GLU A 44 -15.883 1.538 -1.393 1.00 0.74 C ATOM 643 CG GLU A 44 -17.337 1.719 -1.843 1.00 0.92 C ATOM 644 CD GLU A 44 -17.483 2.984 -2.680 1.00 1.06 C ATOM 645 OE1 GLU A 44 -17.718 4.046 -2.066 1.00 2.05 O ATOM 646 OE2 GLU A 44 -17.340 2.869 -3.917 1.00 2.30 O ATOM 0 H GLU A 44 -17.289 -0.321 0.606 1.00 0.67 H new ATOM 0 HA GLU A 44 -16.022 -0.583 -1.182 1.00 0.66 H new ATOM 0 HB2 GLU A 44 -15.582 2.398 -0.794 1.00 0.74 H new ATOM 0 HB3 GLU A 44 -15.235 1.518 -2.269 1.00 0.74 H new ATOM 0 HG2 GLU A 44 -17.655 0.853 -2.424 1.00 0.92 H new ATOM 0 HG3 GLU A 44 -17.989 1.775 -0.972 1.00 0.92 H new ATOM 653 N THR A 45 -13.895 -0.887 0.681 1.00 0.58 N ATOM 654 CA THR A 45 -12.531 -1.204 1.075 1.00 0.54 C ATOM 655 C THR A 45 -12.218 -2.558 0.457 1.00 0.47 C ATOM 656 O THR A 45 -12.757 -3.567 0.907 1.00 0.63 O ATOM 657 CB THR A 45 -12.405 -1.209 2.609 1.00 0.72 C ATOM 658 OG1 THR A 45 -12.541 0.107 3.109 1.00 0.93 O ATOM 659 CG2 THR A 45 -11.069 -1.804 3.070 1.00 0.74 C ATOM 0 H THR A 45 -14.605 -1.394 1.210 1.00 0.58 H new ATOM 0 HA THR A 45 -11.816 -0.460 0.723 1.00 0.54 H new ATOM 0 HB THR A 45 -13.203 -1.838 3.003 1.00 0.72 H new ATOM 0 HG1 THR A 45 -11.870 0.263 3.806 1.00 0.93 H new ATOM 0 HG21 THR A 45 -11.020 -1.789 4.159 1.00 0.74 H new ATOM 0 HG22 THR A 45 -10.988 -2.832 2.717 1.00 0.74 H new ATOM 0 HG23 THR A 45 -10.248 -1.214 2.662 1.00 0.74 H new ATOM 667 N VAL A 46 -11.372 -2.592 -0.571 1.00 0.29 N ATOM 668 CA VAL A 46 -10.885 -3.827 -1.151 1.00 0.26 C ATOM 669 C VAL A 46 -9.714 -4.295 -0.291 1.00 0.31 C ATOM 670 O VAL A 46 -8.805 -3.512 -0.013 1.00 0.37 O ATOM 671 CB VAL A 46 -10.529 -3.631 -2.638 1.00 0.26 C ATOM 672 CG1 VAL A 46 -9.551 -2.484 -2.927 1.00 0.34 C ATOM 673 CG2 VAL A 46 -9.944 -4.923 -3.210 1.00 0.29 C ATOM 0 H VAL A 46 -11.007 -1.754 -1.023 1.00 0.29 H new ATOM 0 HA VAL A 46 -11.649 -4.604 -1.150 1.00 0.26 H new ATOM 0 HB VAL A 46 -11.470 -3.363 -3.118 1.00 0.26 H new ATOM 0 HG11 VAL A 46 -9.364 -2.427 -3.999 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -9.982 -1.543 -2.584 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -8.612 -2.666 -2.404 1.00 0.34 H new ATOM 0 HG21 VAL A 46 -9.695 -4.776 -4.261 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -9.043 -5.190 -2.658 1.00 0.29 H new ATOM 0 HG23 VAL A 46 -10.676 -5.725 -3.119 1.00 0.29 H new ATOM 683 N ASN A 47 -9.758 -5.546 0.174 1.00 0.37 N ATOM 684 CA ASN A 47 -8.738 -6.124 1.024 1.00 0.48 C ATOM 685 C ASN A 47 -8.287 -7.454 0.425 1.00 0.42 C ATOM 686 O ASN A 47 -9.082 -8.381 0.280 1.00 0.41 O ATOM 687 CB ASN A 47 -9.229 -6.240 2.471 1.00 0.76 C ATOM 688 CG ASN A 47 -10.333 -7.274 2.667 1.00 1.61 C ATOM 689 OD1 ASN A 47 -11.500 -6.989 2.415 1.00 2.68 O ATOM 690 ND2 ASN A 47 -9.976 -8.468 3.139 1.00 2.98 N ATOM 0 H ASN A 47 -10.521 -6.189 -0.039 1.00 0.37 H new ATOM 0 HA ASN A 47 -7.867 -5.470 1.066 1.00 0.48 H new ATOM 0 HB2 ASN A 47 -8.385 -6.498 3.111 1.00 0.76 H new ATOM 0 HB3 ASN A 47 -9.593 -5.267 2.800 1.00 0.76 H new ATOM 0 HD21 ASN A 47 -10.684 -9.184 3.303 1.00 2.98 H new ATOM 0 HD22 ASN A 47 -8.995 -8.666 3.336 1.00 2.98 H new ATOM 697 N VAL A 48 -7.014 -7.538 0.034 1.00 0.42 N ATOM 698 CA VAL A 48 -6.475 -8.680 -0.692 1.00 0.39 C ATOM 699 C VAL A 48 -5.333 -9.274 0.126 1.00 0.50 C ATOM 700 O VAL A 48 -4.500 -8.527 0.640 1.00 0.54 O ATOM 701 CB VAL A 48 -6.027 -8.272 -2.109 1.00 0.32 C ATOM 702 CG1 VAL A 48 -5.993 -9.501 -3.026 1.00 0.31 C ATOM 703 CG2 VAL A 48 -6.962 -7.234 -2.746 1.00 0.31 C ATOM 0 H VAL A 48 -6.326 -6.807 0.216 1.00 0.42 H new ATOM 0 HA VAL A 48 -7.246 -9.439 -0.825 1.00 0.39 H new ATOM 0 HB VAL A 48 -5.036 -7.831 -2.004 1.00 0.32 H new ATOM 0 HG11 VAL A 48 -5.675 -9.201 -4.025 1.00 0.31 H new ATOM 0 HG12 VAL A 48 -5.292 -10.234 -2.627 1.00 0.31 H new ATOM 0 HG13 VAL A 48 -6.988 -9.943 -3.079 1.00 0.31 H new ATOM 0 HG21 VAL A 48 -6.600 -6.982 -3.743 1.00 0.31 H new ATOM 0 HG22 VAL A 48 -7.968 -7.647 -2.819 1.00 0.31 H new ATOM 0 HG23 VAL A 48 -6.982 -6.335 -2.129 1.00 0.31 H new ATOM 713 N ILE A 49 -5.313 -10.604 0.263 1.00 0.58 N ATOM 714 CA ILE A 49 -4.282 -11.348 0.977 1.00 0.73 C ATOM 715 C ILE A 49 -3.625 -12.300 -0.021 1.00 0.63 C ATOM 716 O ILE A 49 -4.287 -13.165 -0.598 1.00 0.55 O ATOM 717 CB ILE A 49 -4.884 -12.132 2.160 1.00 0.90 C ATOM 718 CG1 ILE A 49 -5.512 -11.174 3.189 1.00 1.06 C ATOM 719 CG2 ILE A 49 -3.799 -12.982 2.856 1.00 1.05 C ATOM 720 CD1 ILE A 49 -6.639 -11.843 3.981 1.00 1.36 C ATOM 0 H ILE A 49 -6.036 -11.205 -0.133 1.00 0.58 H new ATOM 0 HA ILE A 49 -3.544 -10.661 1.392 1.00 0.73 H new ATOM 0 HB ILE A 49 -5.659 -12.788 1.763 1.00 0.90 H new ATOM 0 HG12 ILE A 49 -4.742 -10.826 3.877 1.00 1.06 H new ATOM 0 HG13 ILE A 49 -5.902 -10.295 2.676 1.00 1.06 H new ATOM 0 HG21 ILE A 49 -4.243 -13.528 3.688 1.00 1.05 H new ATOM 0 HG22 ILE A 49 -3.377 -13.689 2.142 1.00 1.05 H new ATOM 0 HG23 ILE A 49 -3.010 -12.330 3.230 1.00 1.05 H new ATOM 0 HD11 ILE A 49 -7.054 -11.132 4.695 1.00 1.36 H new ATOM 0 HD12 ILE A 49 -7.422 -12.168 3.296 1.00 1.36 H new ATOM 0 HD13 ILE A 49 -6.244 -12.707 4.516 1.00 1.36 H new ATOM 732 N TYR A 50 -2.319 -12.159 -0.228 1.00 0.69 N ATOM 733 CA TYR A 50 -1.591 -12.977 -1.182 1.00 0.62 C ATOM 734 C TYR A 50 -0.160 -13.137 -0.700 1.00 0.67 C ATOM 735 O TYR A 50 0.259 -12.468 0.251 1.00 0.74 O ATOM 736 CB TYR A 50 -1.626 -12.317 -2.567 1.00 0.63 C ATOM 737 CG TYR A 50 -1.195 -10.871 -2.562 1.00 0.67 C ATOM 738 CD1 TYR A 50 0.166 -10.514 -2.530 1.00 2.17 C ATOM 739 CD2 TYR A 50 -2.182 -9.880 -2.478 1.00 1.73 C ATOM 740 CE1 TYR A 50 0.532 -9.172 -2.332 1.00 2.10 C ATOM 741 CE2 TYR A 50 -1.816 -8.540 -2.334 1.00 1.78 C ATOM 742 CZ TYR A 50 -0.464 -8.191 -2.208 1.00 0.62 C ATOM 743 OH TYR A 50 -0.110 -6.890 -1.998 1.00 0.75 O ATOM 0 H TYR A 50 -1.741 -11.476 0.261 1.00 0.69 H new ATOM 0 HA TYR A 50 -2.054 -13.960 -1.262 1.00 0.62 H new ATOM 0 HB2 TYR A 50 -0.980 -12.877 -3.243 1.00 0.63 H new ATOM 0 HB3 TYR A 50 -2.638 -12.384 -2.966 1.00 0.63 H new ATOM 0 HD1 TYR A 50 0.927 -11.270 -2.657 1.00 2.17 H new ATOM 0 HD2 TYR A 50 -3.226 -10.152 -2.525 1.00 1.73 H new ATOM 0 HE1 TYR A 50 1.575 -8.897 -2.275 1.00 2.10 H new ATOM 0 HE2 TYR A 50 -2.575 -7.772 -2.320 1.00 1.78 H new ATOM 0 HH TYR A 50 -0.554 -6.319 -2.660 1.00 0.75 H new ATOM 753 N ASP A 51 0.584 -14.007 -1.382 1.00 0.66 N ATOM 754 CA ASP A 51 1.962 -14.278 -1.034 1.00 0.73 C ATOM 755 C ASP A 51 2.874 -13.238 -1.688 1.00 0.77 C ATOM 756 O ASP A 51 2.848 -13.099 -2.917 1.00 0.78 O ATOM 757 CB ASP A 51 2.340 -15.695 -1.454 1.00 0.76 C ATOM 758 CG ASP A 51 3.504 -16.131 -0.589 1.00 1.03 C ATOM 759 OD1 ASP A 51 4.637 -15.739 -0.936 1.00 2.19 O ATOM 760 OD2 ASP A 51 3.208 -16.753 0.456 1.00 1.52 O ATOM 0 H ASP A 51 0.244 -14.536 -2.185 1.00 0.66 H new ATOM 0 HA ASP A 51 2.086 -14.207 0.047 1.00 0.73 H new ATOM 0 HB2 ASP A 51 1.494 -16.371 -1.328 1.00 0.76 H new ATOM 0 HB3 ASP A 51 2.615 -15.722 -2.508 1.00 0.76 H new ATOM 765 N PRO A 52 3.678 -12.483 -0.924 1.00 0.84 N ATOM 766 CA PRO A 52 4.481 -11.388 -1.452 1.00 0.90 C ATOM 767 C PRO A 52 5.734 -11.890 -2.187 1.00 0.96 C ATOM 768 O PRO A 52 6.784 -11.256 -2.114 1.00 1.07 O ATOM 769 CB PRO A 52 4.824 -10.544 -0.216 1.00 1.00 C ATOM 770 CG PRO A 52 4.947 -11.600 0.883 1.00 1.07 C ATOM 771 CD PRO A 52 3.841 -12.588 0.517 1.00 0.94 C ATOM 0 HA PRO A 52 3.947 -10.810 -2.206 1.00 0.90 H new ATOM 0 HB2 PRO A 52 5.752 -9.987 -0.349 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.044 -9.815 0.007 1.00 1.00 H new ATOM 0 HG2 PRO A 52 5.929 -12.072 0.884 1.00 1.07 H new ATOM 0 HG3 PRO A 52 4.798 -11.173 1.875 1.00 1.07 H new ATOM 0 HD2 PRO A 52 4.112 -13.603 0.807 1.00 0.94 H new ATOM 0 HD3 PRO A 52 2.913 -12.345 1.034 1.00 0.94 H new ATOM 779 N ALA A 53 5.629 -13.009 -2.912 1.00 0.93 N ATOM 780 CA ALA A 53 6.766 -13.625 -3.598 1.00 1.00 C ATOM 781 C ALA A 53 6.390 -14.414 -4.856 1.00 1.03 C ATOM 782 O ALA A 53 7.245 -15.080 -5.432 1.00 1.29 O ATOM 783 CB ALA A 53 7.543 -14.504 -2.613 1.00 1.08 C ATOM 0 H ALA A 53 4.751 -13.512 -3.039 1.00 0.93 H new ATOM 0 HA ALA A 53 7.395 -12.809 -3.953 1.00 1.00 H new ATOM 0 HB1 ALA A 53 8.390 -14.963 -3.124 1.00 1.08 H new ATOM 0 HB2 ALA A 53 7.906 -13.892 -1.787 1.00 1.08 H new ATOM 0 HB3 ALA A 53 6.887 -15.284 -2.226 1.00 1.08 H new ATOM 789 N GLU A 54 5.138 -14.303 -5.306 1.00 0.90 N ATOM 790 CA GLU A 54 4.651 -14.895 -6.542 1.00 0.91 C ATOM 791 C GLU A 54 4.021 -13.836 -7.445 1.00 0.91 C ATOM 792 O GLU A 54 4.185 -13.876 -8.661 1.00 1.00 O ATOM 793 CB GLU A 54 3.594 -15.955 -6.218 1.00 0.88 C ATOM 794 CG GLU A 54 4.183 -17.179 -5.510 1.00 0.90 C ATOM 795 CD GLU A 54 3.181 -18.327 -5.456 1.00 0.83 C ATOM 796 OE1 GLU A 54 2.503 -18.532 -6.487 1.00 2.13 O ATOM 797 OE2 GLU A 54 3.119 -18.981 -4.395 1.00 1.64 O ATOM 0 H GLU A 54 4.419 -13.783 -4.802 1.00 0.90 H new ATOM 0 HA GLU A 54 5.498 -15.345 -7.061 1.00 0.91 H new ATOM 0 HB2 GLU A 54 2.822 -15.512 -5.588 1.00 0.88 H new ATOM 0 HB3 GLU A 54 3.109 -16.273 -7.141 1.00 0.88 H new ATOM 0 HG2 GLU A 54 5.083 -17.504 -6.031 1.00 0.90 H new ATOM 0 HG3 GLU A 54 4.482 -16.907 -4.498 1.00 0.90 H new ATOM 804 N THR A 55 3.224 -12.939 -6.856 1.00 0.85 N ATOM 805 CA THR A 55 2.284 -12.100 -7.571 1.00 0.84 C ATOM 806 C THR A 55 2.799 -10.658 -7.511 1.00 0.91 C ATOM 807 O THR A 55 3.451 -10.207 -8.448 1.00 1.01 O ATOM 808 CB THR A 55 0.913 -12.369 -6.941 1.00 0.74 C ATOM 809 OG1 THR A 55 0.532 -13.702 -7.237 1.00 0.69 O ATOM 810 CG2 THR A 55 -0.167 -11.416 -7.422 1.00 0.83 C ATOM 0 H THR A 55 3.222 -12.780 -5.848 1.00 0.85 H new ATOM 0 HA THR A 55 2.182 -12.310 -8.636 1.00 0.84 H new ATOM 0 HB THR A 55 1.011 -12.212 -5.867 1.00 0.74 H new ATOM 0 HG1 THR A 55 -0.445 -13.759 -7.287 1.00 0.69 H new ATOM 0 HG21 THR A 55 -1.112 -11.662 -6.937 1.00 0.83 H new ATOM 0 HG22 THR A 55 0.113 -10.393 -7.172 1.00 0.83 H new ATOM 0 HG23 THR A 55 -0.279 -11.508 -8.502 1.00 0.83 H new ATOM 818 N GLY A 56 2.567 -9.952 -6.400 1.00 0.89 N ATOM 819 CA GLY A 56 3.207 -8.676 -6.131 1.00 0.94 C ATOM 820 C GLY A 56 2.163 -7.573 -6.157 1.00 0.89 C ATOM 821 O GLY A 56 1.423 -7.436 -7.125 1.00 0.87 O ATOM 0 H GLY A 56 1.928 -10.256 -5.665 1.00 0.89 H new ATOM 0 HA2 GLY A 56 3.701 -8.702 -5.160 1.00 0.94 H new ATOM 0 HA3 GLY A 56 3.978 -8.479 -6.875 1.00 0.94 H new ATOM 825 N THR A 57 2.103 -6.794 -5.077 1.00 0.88 N ATOM 826 CA THR A 57 1.151 -5.703 -4.871 1.00 0.83 C ATOM 827 C THR A 57 0.965 -4.825 -6.122 1.00 0.81 C ATOM 828 O THR A 57 -0.154 -4.444 -6.466 1.00 0.74 O ATOM 829 CB THR A 57 1.550 -4.932 -3.606 1.00 0.83 C ATOM 830 OG1 THR A 57 0.466 -4.222 -3.042 1.00 0.84 O ATOM 831 CG2 THR A 57 2.751 -4.033 -3.851 1.00 0.97 C ATOM 0 H THR A 57 2.742 -6.911 -4.290 1.00 0.88 H new ATOM 0 HA THR A 57 0.155 -6.115 -4.709 1.00 0.83 H new ATOM 0 HB THR A 57 1.848 -5.676 -2.868 1.00 0.83 H new ATOM 0 HG1 THR A 57 0.768 -3.749 -2.239 1.00 0.84 H new ATOM 0 HG21 THR A 57 3.003 -3.504 -2.932 1.00 0.97 H new ATOM 0 HG22 THR A 57 3.601 -4.639 -4.166 1.00 0.97 H new ATOM 0 HG23 THR A 57 2.512 -3.311 -4.631 1.00 0.97 H new ATOM 839 N ALA A 58 2.057 -4.543 -6.837 1.00 0.88 N ATOM 840 CA ALA A 58 2.006 -3.791 -8.081 1.00 0.91 C ATOM 841 C ALA A 58 1.124 -4.498 -9.113 1.00 0.87 C ATOM 842 O ALA A 58 0.301 -3.864 -9.762 1.00 0.82 O ATOM 843 CB ALA A 58 3.426 -3.584 -8.616 1.00 1.04 C ATOM 0 H ALA A 58 2.997 -4.831 -6.566 1.00 0.88 H new ATOM 0 HA ALA A 58 1.560 -2.816 -7.886 1.00 0.91 H new ATOM 0 HB1 ALA A 58 3.385 -3.020 -9.548 1.00 1.04 H new ATOM 0 HB2 ALA A 58 4.014 -3.031 -7.883 1.00 1.04 H new ATOM 0 HB3 ALA A 58 3.891 -4.553 -8.798 1.00 1.04 H new ATOM 849 N ALA A 59 1.253 -5.818 -9.258 1.00 0.89 N ATOM 850 CA ALA A 59 0.414 -6.566 -10.181 1.00 0.86 C ATOM 851 C ALA A 59 -1.033 -6.603 -9.693 1.00 0.73 C ATOM 852 O ALA A 59 -1.964 -6.603 -10.496 1.00 0.72 O ATOM 853 CB ALA A 59 0.943 -7.984 -10.342 1.00 0.92 C ATOM 0 H ALA A 59 1.930 -6.385 -8.747 1.00 0.89 H new ATOM 0 HA ALA A 59 0.440 -6.063 -11.148 1.00 0.86 H new ATOM 0 HB1 ALA A 59 0.306 -8.533 -11.035 1.00 0.92 H new ATOM 0 HB2 ALA A 59 1.960 -7.951 -10.732 1.00 0.92 H new ATOM 0 HB3 ALA A 59 0.942 -8.485 -9.374 1.00 0.92 H new ATOM 859 N ILE A 60 -1.232 -6.648 -8.372 1.00 0.67 N ATOM 860 CA ILE A 60 -2.571 -6.588 -7.800 1.00 0.57 C ATOM 861 C ILE A 60 -3.247 -5.310 -8.301 1.00 0.58 C ATOM 862 O ILE A 60 -4.306 -5.363 -8.932 1.00 0.55 O ATOM 863 CB ILE A 60 -2.546 -6.632 -6.260 1.00 0.59 C ATOM 864 CG1 ILE A 60 -1.684 -7.760 -5.683 1.00 0.72 C ATOM 865 CG2 ILE A 60 -3.954 -6.723 -5.667 1.00 0.50 C ATOM 866 CD1 ILE A 60 -2.226 -9.173 -5.854 1.00 0.77 C ATOM 0 H ILE A 60 -0.482 -6.726 -7.685 1.00 0.67 H new ATOM 0 HA ILE A 60 -3.135 -7.464 -8.120 1.00 0.57 H new ATOM 0 HB ILE A 60 -2.086 -5.687 -5.970 1.00 0.59 H new ATOM 0 HG12 ILE A 60 -0.700 -7.712 -6.148 1.00 0.72 H new ATOM 0 HG13 ILE A 60 -1.543 -7.573 -4.618 1.00 0.72 H new ATOM 0 HG21 ILE A 60 -3.890 -6.752 -4.579 1.00 0.50 H new ATOM 0 HG22 ILE A 60 -4.535 -5.853 -5.973 1.00 0.50 H new ATOM 0 HG23 ILE A 60 -4.442 -7.629 -6.026 1.00 0.50 H new ATOM 0 HD11 ILE A 60 -1.532 -9.885 -5.407 1.00 0.77 H new ATOM 0 HD12 ILE A 60 -3.195 -9.253 -5.362 1.00 0.77 H new ATOM 0 HD13 ILE A 60 -2.339 -9.393 -6.915 1.00 0.77 H new ATOM 878 N GLN A 61 -2.609 -4.158 -8.060 1.00 0.65 N ATOM 879 CA GLN A 61 -3.178 -2.893 -8.507 1.00 0.69 C ATOM 880 C GLN A 61 -3.297 -2.883 -10.031 1.00 0.74 C ATOM 881 O GLN A 61 -4.329 -2.478 -10.557 1.00 0.75 O ATOM 882 CB GLN A 61 -2.449 -1.675 -7.915 1.00 0.82 C ATOM 883 CG GLN A 61 -1.298 -1.127 -8.766 1.00 1.05 C ATOM 884 CD GLN A 61 -0.732 0.140 -8.157 1.00 0.90 C ATOM 885 OE1 GLN A 61 0.089 0.080 -7.245 1.00 1.75 O ATOM 886 NE2 GLN A 61 -1.162 1.293 -8.657 1.00 1.18 N ATOM 0 H GLN A 61 -1.718 -4.081 -7.569 1.00 0.65 H new ATOM 0 HA GLN A 61 -4.191 -2.803 -8.114 1.00 0.69 H new ATOM 0 HB2 GLN A 61 -3.175 -0.878 -7.758 1.00 0.82 H new ATOM 0 HB3 GLN A 61 -2.058 -1.947 -6.935 1.00 0.82 H new ATOM 0 HG2 GLN A 61 -0.512 -1.878 -8.849 1.00 1.05 H new ATOM 0 HG3 GLN A 61 -1.652 -0.923 -9.776 1.00 1.05 H new ATOM 0 HE21 GLN A 61 -1.845 1.297 -9.415 1.00 1.18 H new ATOM 0 HE22 GLN A 61 -0.809 2.174 -8.283 1.00 1.18 H new ATOM 895 N GLU A 62 -2.281 -3.394 -10.737 1.00 0.78 N ATOM 896 CA GLU A 62 -2.311 -3.488 -12.187 1.00 0.83 C ATOM 897 C GLU A 62 -3.597 -4.191 -12.627 1.00 0.78 C ATOM 898 O GLU A 62 -4.249 -3.756 -13.576 1.00 0.81 O ATOM 899 CB GLU A 62 -1.071 -4.253 -12.677 1.00 0.90 C ATOM 900 CG GLU A 62 -0.838 -4.189 -14.192 1.00 0.94 C ATOM 901 CD GLU A 62 -0.412 -5.548 -14.729 1.00 1.58 C ATOM 902 OE1 GLU A 62 0.551 -6.116 -14.178 1.00 2.05 O ATOM 903 OE2 GLU A 62 -1.086 -6.019 -15.673 1.00 2.62 O ATOM 0 H GLU A 62 -1.423 -3.750 -10.315 1.00 0.78 H new ATOM 0 HA GLU A 62 -2.296 -2.490 -12.625 1.00 0.83 H new ATOM 0 HB2 GLU A 62 -0.192 -3.856 -12.170 1.00 0.90 H new ATOM 0 HB3 GLU A 62 -1.164 -5.298 -12.381 1.00 0.90 H new ATOM 0 HG2 GLU A 62 -1.751 -3.865 -14.692 1.00 0.94 H new ATOM 0 HG3 GLU A 62 -0.071 -3.447 -14.416 1.00 0.94 H new ATOM 910 N LYS A 63 -3.987 -5.270 -11.939 1.00 0.72 N ATOM 911 CA LYS A 63 -5.171 -6.012 -12.294 1.00 0.69 C ATOM 912 C LYS A 63 -6.408 -5.136 -12.098 1.00 0.62 C ATOM 913 O LYS A 63 -7.235 -5.050 -13.001 1.00 0.64 O ATOM 914 CB LYS A 63 -5.237 -7.301 -11.465 1.00 0.67 C ATOM 915 CG LYS A 63 -5.841 -8.452 -12.275 1.00 1.00 C ATOM 916 CD LYS A 63 -4.768 -9.414 -12.802 1.00 1.21 C ATOM 917 CE LYS A 63 -3.737 -8.719 -13.708 1.00 1.28 C ATOM 918 NZ LYS A 63 -2.642 -9.628 -14.098 1.00 2.41 N ATOM 0 H LYS A 63 -3.487 -5.639 -11.130 1.00 0.72 H new ATOM 0 HA LYS A 63 -5.135 -6.297 -13.346 1.00 0.69 H new ATOM 0 HB2 LYS A 63 -4.236 -7.574 -11.132 1.00 0.67 H new ATOM 0 HB3 LYS A 63 -5.835 -7.130 -10.570 1.00 0.67 H new ATOM 0 HG2 LYS A 63 -6.546 -9.002 -11.652 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -6.407 -8.046 -13.114 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -4.252 -9.873 -11.959 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -5.249 -10.219 -13.358 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -4.234 -8.346 -14.603 1.00 1.28 H new ATOM 0 HE3 LYS A 63 -3.323 -7.854 -13.189 1.00 1.28 H new ATOM 0 HZ1 LYS A 63 -1.803 -9.070 -14.357 1.00 2.41 H new ATOM 0 HZ2 LYS A 63 -2.409 -10.253 -13.300 1.00 2.41 H new ATOM 0 HZ3 LYS A 63 -2.941 -10.202 -14.912 1.00 2.41 H new ATOM 932 N ILE A 64 -6.530 -4.476 -10.941 1.00 0.57 N ATOM 933 CA ILE A 64 -7.628 -3.551 -10.667 1.00 0.52 C ATOM 934 C ILE A 64 -7.740 -2.531 -11.806 1.00 0.58 C ATOM 935 O ILE A 64 -8.826 -2.296 -12.340 1.00 0.60 O ATOM 936 CB ILE A 64 -7.428 -2.882 -9.289 1.00 0.45 C ATOM 937 CG1 ILE A 64 -7.475 -3.949 -8.178 1.00 0.43 C ATOM 938 CG2 ILE A 64 -8.503 -1.817 -9.044 1.00 0.43 C ATOM 939 CD1 ILE A 64 -7.139 -3.403 -6.787 1.00 0.52 C ATOM 0 H ILE A 64 -5.869 -4.570 -10.170 1.00 0.57 H new ATOM 0 HA ILE A 64 -8.572 -4.095 -10.622 1.00 0.52 H new ATOM 0 HB ILE A 64 -6.453 -2.395 -9.276 1.00 0.45 H new ATOM 0 HG12 ILE A 64 -8.470 -4.393 -8.154 1.00 0.43 H new ATOM 0 HG13 ILE A 64 -6.776 -4.748 -8.424 1.00 0.43 H new ATOM 0 HG21 ILE A 64 -8.344 -1.358 -8.068 1.00 0.43 H new ATOM 0 HG22 ILE A 64 -8.442 -1.053 -9.819 1.00 0.43 H new ATOM 0 HG23 ILE A 64 -9.488 -2.282 -9.070 1.00 0.43 H new ATOM 0 HD11 ILE A 64 -7.192 -4.210 -6.057 1.00 0.52 H new ATOM 0 HD12 ILE A 64 -6.132 -2.985 -6.794 1.00 0.52 H new ATOM 0 HD13 ILE A 64 -7.853 -2.624 -6.520 1.00 0.52 H new ATOM 951 N GLU A 65 -6.606 -1.948 -12.200 1.00 0.63 N ATOM 952 CA GLU A 65 -6.565 -0.976 -13.276 1.00 0.67 C ATOM 953 C GLU A 65 -7.030 -1.617 -14.598 1.00 0.75 C ATOM 954 O GLU A 65 -7.942 -1.095 -15.237 1.00 0.79 O ATOM 955 CB GLU A 65 -5.182 -0.296 -13.311 1.00 0.71 C ATOM 956 CG GLU A 65 -4.926 0.473 -11.992 1.00 0.69 C ATOM 957 CD GLU A 65 -3.558 1.158 -11.926 1.00 0.91 C ATOM 958 OE1 GLU A 65 -3.167 1.713 -12.974 1.00 1.58 O ATOM 959 OE2 GLU A 65 -2.936 1.131 -10.832 1.00 1.55 O ATOM 0 H GLU A 65 -5.697 -2.141 -11.779 1.00 0.63 H new ATOM 0 HA GLU A 65 -7.276 -0.168 -13.102 1.00 0.67 H new ATOM 0 HB2 GLU A 65 -4.405 -1.046 -13.459 1.00 0.71 H new ATOM 0 HB3 GLU A 65 -5.128 0.390 -14.156 1.00 0.71 H new ATOM 0 HG2 GLU A 65 -5.704 1.226 -11.865 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -5.014 -0.221 -11.156 1.00 0.69 H new ATOM 966 N LYS A 66 -6.487 -2.780 -14.986 1.00 0.82 N ATOM 967 CA LYS A 66 -6.943 -3.519 -16.167 1.00 0.96 C ATOM 968 C LYS A 66 -8.444 -3.825 -16.121 1.00 0.94 C ATOM 969 O LYS A 66 -9.107 -3.779 -17.154 1.00 1.05 O ATOM 970 CB LYS A 66 -6.152 -4.816 -16.377 1.00 1.11 C ATOM 971 CG LYS A 66 -4.963 -4.611 -17.323 1.00 1.50 C ATOM 972 CD LYS A 66 -3.795 -3.924 -16.613 1.00 1.55 C ATOM 973 CE LYS A 66 -2.605 -3.634 -17.539 1.00 1.85 C ATOM 974 NZ LYS A 66 -1.868 -4.858 -17.907 1.00 2.35 N ATOM 0 H LYS A 66 -5.720 -3.233 -14.489 1.00 0.82 H new ATOM 0 HA LYS A 66 -6.758 -2.861 -17.016 1.00 0.96 H new ATOM 0 HB2 LYS A 66 -5.792 -5.182 -15.415 1.00 1.11 H new ATOM 0 HB3 LYS A 66 -6.812 -5.582 -16.783 1.00 1.11 H new ATOM 0 HG2 LYS A 66 -4.637 -5.575 -17.714 1.00 1.50 H new ATOM 0 HG3 LYS A 66 -5.275 -4.010 -18.177 1.00 1.50 H new ATOM 0 HD2 LYS A 66 -4.144 -2.988 -16.178 1.00 1.55 H new ATOM 0 HD3 LYS A 66 -3.460 -4.553 -15.789 1.00 1.55 H new ATOM 0 HE2 LYS A 66 -2.963 -3.143 -18.444 1.00 1.85 H new ATOM 0 HE3 LYS A 66 -1.926 -2.938 -17.046 1.00 1.85 H new ATOM 0 HZ1 LYS A 66 -0.879 -4.617 -18.119 1.00 2.35 H new ATOM 0 HZ2 LYS A 66 -1.899 -5.533 -17.116 1.00 2.35 H new ATOM 0 HZ3 LYS A 66 -2.307 -5.288 -18.746 1.00 2.35 H new ATOM 988 N LEU A 67 -8.984 -4.152 -14.946 1.00 0.84 N ATOM 989 CA LEU A 67 -10.407 -4.413 -14.788 1.00 0.85 C ATOM 990 C LEU A 67 -11.252 -3.153 -15.029 1.00 0.87 C ATOM 991 O LEU A 67 -12.464 -3.268 -15.195 1.00 0.93 O ATOM 992 CB LEU A 67 -10.673 -5.070 -13.428 1.00 0.76 C ATOM 993 CG LEU A 67 -10.686 -6.609 -13.515 1.00 0.82 C ATOM 994 CD1 LEU A 67 -9.729 -7.203 -12.488 1.00 1.37 C ATOM 995 CD2 LEU A 67 -12.109 -7.137 -13.303 1.00 2.40 C ATOM 0 H LEU A 67 -8.447 -4.242 -14.084 1.00 0.84 H new ATOM 0 HA LEU A 67 -10.721 -5.119 -15.556 1.00 0.85 H new ATOM 0 HB2 LEU A 67 -9.908 -4.755 -12.719 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -11.630 -4.722 -13.040 1.00 0.76 H new ATOM 0 HG LEU A 67 -10.352 -6.911 -14.508 1.00 0.82 H new ATOM 0 HD11 LEU A 67 -9.748 -8.290 -12.560 1.00 1.37 H new ATOM 0 HD12 LEU A 67 -8.718 -6.844 -12.682 1.00 1.37 H new ATOM 0 HD13 LEU A 67 -10.036 -6.900 -11.487 1.00 1.37 H new ATOM 0 HD21 LEU A 67 -12.107 -8.225 -13.367 1.00 2.40 H new ATOM 0 HD22 LEU A 67 -12.468 -6.832 -12.320 1.00 2.40 H new ATOM 0 HD23 LEU A 67 -12.766 -6.730 -14.071 1.00 2.40 H new ATOM 1007 N GLY A 68 -10.634 -1.968 -15.081 1.00 0.84 N ATOM 1008 CA GLY A 68 -11.301 -0.723 -15.429 1.00 0.87 C ATOM 1009 C GLY A 68 -11.775 0.017 -14.183 1.00 0.79 C ATOM 1010 O GLY A 68 -12.859 0.593 -14.180 1.00 0.86 O ATOM 0 H GLY A 68 -9.641 -1.853 -14.878 1.00 0.84 H new ATOM 0 HA2 GLY A 68 -10.619 -0.088 -15.995 1.00 0.87 H new ATOM 0 HA3 GLY A 68 -12.152 -0.932 -16.076 1.00 0.87 H new ATOM 1014 N TYR A 69 -10.953 0.008 -13.130 1.00 0.70 N ATOM 1015 CA TYR A 69 -11.204 0.722 -11.882 1.00 0.62 C ATOM 1016 C TYR A 69 -10.000 1.609 -11.569 1.00 0.56 C ATOM 1017 O TYR A 69 -8.998 1.560 -12.282 1.00 0.61 O ATOM 1018 CB TYR A 69 -11.472 -0.298 -10.771 1.00 0.58 C ATOM 1019 CG TYR A 69 -12.682 -1.168 -11.045 1.00 0.66 C ATOM 1020 CD1 TYR A 69 -12.542 -2.315 -11.846 1.00 1.66 C ATOM 1021 CD2 TYR A 69 -13.963 -0.754 -10.638 1.00 2.05 C ATOM 1022 CE1 TYR A 69 -13.682 -3.006 -12.288 1.00 1.76 C ATOM 1023 CE2 TYR A 69 -15.099 -1.459 -11.069 1.00 2.08 C ATOM 1024 CZ TYR A 69 -14.958 -2.562 -11.923 1.00 0.96 C ATOM 1025 OH TYR A 69 -16.053 -3.204 -12.407 1.00 1.17 O ATOM 0 H TYR A 69 -10.074 -0.510 -13.125 1.00 0.70 H new ATOM 0 HA TYR A 69 -12.081 1.364 -11.966 1.00 0.62 H new ATOM 0 HB2 TYR A 69 -10.595 -0.933 -10.649 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -11.617 0.230 -9.828 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -11.558 -2.665 -12.121 1.00 1.66 H new ATOM 0 HD2 TYR A 69 -14.073 0.106 -9.994 1.00 2.05 H new ATOM 0 HE1 TYR A 69 -13.574 -3.882 -12.911 1.00 1.76 H new ATOM 0 HE2 TYR A 69 -16.081 -1.151 -10.742 1.00 2.08 H new ATOM 0 HH TYR A 69 -16.859 -2.838 -11.987 1.00 1.17 H new ATOM 1035 N HIS A 70 -10.089 2.434 -10.522 1.00 0.49 N ATOM 1036 CA HIS A 70 -8.994 3.294 -10.081 1.00 0.47 C ATOM 1037 C HIS A 70 -8.899 3.252 -8.558 1.00 0.41 C ATOM 1038 O HIS A 70 -9.904 3.410 -7.863 1.00 0.59 O ATOM 1039 CB HIS A 70 -9.184 4.733 -10.590 1.00 0.52 C ATOM 1040 CG HIS A 70 -8.459 5.038 -11.882 1.00 0.83 C ATOM 1041 ND1 HIS A 70 -8.118 4.140 -12.869 1.00 2.08 N ATOM 1042 CD2 HIS A 70 -7.942 6.255 -12.243 1.00 1.51 C ATOM 1043 CE1 HIS A 70 -7.419 4.806 -13.802 1.00 1.98 C ATOM 1044 NE2 HIS A 70 -7.288 6.099 -13.468 1.00 1.44 N ATOM 0 H HIS A 70 -10.931 2.522 -9.954 1.00 0.49 H new ATOM 0 HA HIS A 70 -8.058 2.926 -10.502 1.00 0.47 H new ATOM 0 HB2 HIS A 70 -10.249 4.918 -10.732 1.00 0.52 H new ATOM 0 HB3 HIS A 70 -8.840 5.426 -9.822 1.00 0.52 H new ATOM 0 HD1 HIS A 70 -8.354 3.148 -12.888 1.00 2.08 H new ATOM 0 HD2 HIS A 70 -8.025 7.173 -11.680 1.00 1.51 H new ATOM 0 HE1 HIS A 70 -7.017 4.361 -14.700 1.00 1.98 H new ATOM 1052 N VAL A 71 -7.685 3.035 -8.052 1.00 0.42 N ATOM 1053 CA VAL A 71 -7.376 2.979 -6.633 1.00 0.39 C ATOM 1054 C VAL A 71 -7.159 4.399 -6.115 1.00 0.44 C ATOM 1055 O VAL A 71 -6.512 5.210 -6.779 1.00 0.53 O ATOM 1056 CB VAL A 71 -6.158 2.063 -6.404 1.00 0.47 C ATOM 1057 CG1 VAL A 71 -6.468 0.632 -6.859 1.00 0.54 C ATOM 1058 CG2 VAL A 71 -4.877 2.534 -7.113 1.00 0.52 C ATOM 0 H VAL A 71 -6.866 2.889 -8.643 1.00 0.42 H new ATOM 0 HA VAL A 71 -8.205 2.548 -6.071 1.00 0.39 H new ATOM 0 HB VAL A 71 -5.969 2.102 -5.331 1.00 0.47 H new ATOM 0 HG11 VAL A 71 -5.597 -0.000 -6.690 1.00 0.54 H new ATOM 0 HG12 VAL A 71 -7.313 0.245 -6.291 1.00 0.54 H new ATOM 0 HG13 VAL A 71 -6.715 0.633 -7.921 1.00 0.54 H new ATOM 0 HG21 VAL A 71 -4.067 1.836 -6.902 1.00 0.52 H new ATOM 0 HG22 VAL A 71 -5.050 2.574 -8.188 1.00 0.52 H new ATOM 0 HG23 VAL A 71 -4.605 3.526 -6.752 1.00 0.52 H new ATOM 1068 N VAL A 72 -7.699 4.723 -4.937 1.00 0.47 N ATOM 1069 CA VAL A 72 -7.599 6.069 -4.387 1.00 0.61 C ATOM 1070 C VAL A 72 -6.244 6.186 -3.677 1.00 0.71 C ATOM 1071 O VAL A 72 -6.181 6.398 -2.468 1.00 0.96 O ATOM 1072 CB VAL A 72 -8.812 6.332 -3.471 1.00 0.71 C ATOM 1073 CG1 VAL A 72 -8.853 7.778 -2.954 1.00 0.91 C ATOM 1074 CG2 VAL A 72 -10.128 6.086 -4.223 1.00 0.69 C ATOM 0 H VAL A 72 -8.211 4.066 -4.348 1.00 0.47 H new ATOM 0 HA VAL A 72 -7.631 6.838 -5.159 1.00 0.61 H new ATOM 0 HB VAL A 72 -8.703 5.646 -2.631 1.00 0.71 H new ATOM 0 HG11 VAL A 72 -9.725 7.911 -2.314 1.00 0.91 H new ATOM 0 HG12 VAL A 72 -7.949 7.986 -2.382 1.00 0.91 H new ATOM 0 HG13 VAL A 72 -8.914 8.465 -3.798 1.00 0.91 H new ATOM 0 HG21 VAL A 72 -10.969 6.278 -3.557 1.00 0.69 H new ATOM 0 HG22 VAL A 72 -10.186 6.754 -5.082 1.00 0.69 H new ATOM 0 HG23 VAL A 72 -10.164 5.051 -4.564 1.00 0.69 H new ATOM 1084 N THR A 73 -5.159 6.008 -4.435 1.00 0.72 N ATOM 1085 CA THR A 73 -3.809 5.846 -3.911 1.00 0.82 C ATOM 1086 C THR A 73 -2.888 6.875 -4.560 1.00 0.97 C ATOM 1087 O THR A 73 -2.877 6.986 -5.785 1.00 1.12 O ATOM 1088 CB THR A 73 -3.333 4.412 -4.173 1.00 0.80 C ATOM 1089 OG1 THR A 73 -4.387 3.499 -3.909 1.00 0.67 O ATOM 1090 CG2 THR A 73 -2.170 4.044 -3.258 1.00 1.07 C ATOM 0 H THR A 73 -5.201 5.972 -5.454 1.00 0.72 H new ATOM 0 HA THR A 73 -3.795 6.015 -2.834 1.00 0.82 H new ATOM 0 HB THR A 73 -3.017 4.357 -5.215 1.00 0.80 H new ATOM 0 HG1 THR A 73 -4.033 2.720 -3.432 1.00 0.67 H new ATOM 0 HG21 THR A 73 -1.853 3.022 -3.466 1.00 1.07 H new ATOM 0 HG22 THR A 73 -1.338 4.725 -3.435 1.00 1.07 H new ATOM 0 HG23 THR A 73 -2.487 4.121 -2.218 1.00 1.07 H new ATOM 1098 N GLU A 74 -2.138 7.630 -3.751 1.00 0.98 N ATOM 1099 CA GLU A 74 -1.398 8.805 -4.188 1.00 1.05 C ATOM 1100 C GLU A 74 0.071 8.676 -3.788 1.00 0.94 C ATOM 1101 O GLU A 74 0.375 8.237 -2.678 1.00 0.87 O ATOM 1102 CB GLU A 74 -2.024 10.058 -3.563 1.00 1.15 C ATOM 1103 CG GLU A 74 -3.477 10.262 -4.032 1.00 1.79 C ATOM 1104 CD GLU A 74 -3.654 11.527 -4.862 1.00 2.58 C ATOM 1105 OE1 GLU A 74 -2.831 11.720 -5.783 1.00 3.38 O ATOM 1106 OE2 GLU A 74 -4.615 12.268 -4.567 1.00 3.10 O ATOM 0 H GLU A 74 -2.030 7.433 -2.756 1.00 0.98 H new ATOM 0 HA GLU A 74 -1.448 8.889 -5.274 1.00 1.05 H new ATOM 0 HB2 GLU A 74 -2.001 9.973 -2.477 1.00 1.15 H new ATOM 0 HB3 GLU A 74 -1.430 10.933 -3.828 1.00 1.15 H new ATOM 0 HG2 GLU A 74 -3.789 9.399 -4.621 1.00 1.79 H new ATOM 0 HG3 GLU A 74 -4.132 10.308 -3.162 1.00 1.79 H new ATOM 1113 N LYS A 75 0.960 9.059 -4.712 1.00 0.98 N ATOM 1114 CA LYS A 75 2.407 9.115 -4.534 1.00 0.93 C ATOM 1115 C LYS A 75 2.811 10.440 -3.886 1.00 0.96 C ATOM 1116 O LYS A 75 3.025 11.438 -4.571 1.00 1.05 O ATOM 1117 CB LYS A 75 3.125 8.805 -5.858 1.00 1.01 C ATOM 1118 CG LYS A 75 3.055 9.894 -6.930 1.00 1.21 C ATOM 1119 CD LYS A 75 3.312 9.297 -8.322 1.00 1.37 C ATOM 1120 CE LYS A 75 2.088 8.518 -8.841 1.00 2.89 C ATOM 1121 NZ LYS A 75 2.405 7.114 -9.176 1.00 4.45 N ATOM 0 H LYS A 75 0.672 9.351 -5.646 1.00 0.98 H new ATOM 0 HA LYS A 75 2.730 8.338 -3.841 1.00 0.93 H new ATOM 0 HB2 LYS A 75 4.174 8.604 -5.641 1.00 1.01 H new ATOM 0 HB3 LYS A 75 2.703 7.889 -6.271 1.00 1.01 H new ATOM 0 HG2 LYS A 75 2.075 10.372 -6.908 1.00 1.21 H new ATOM 0 HG3 LYS A 75 3.792 10.669 -6.718 1.00 1.21 H new ATOM 0 HD2 LYS A 75 3.558 10.096 -9.021 1.00 1.37 H new ATOM 0 HD3 LYS A 75 4.175 8.633 -8.280 1.00 1.37 H new ATOM 0 HE2 LYS A 75 1.303 8.538 -8.086 1.00 2.89 H new ATOM 0 HE3 LYS A 75 1.693 9.018 -9.725 1.00 2.89 H new ATOM 0 HZ1 LYS A 75 1.527 6.605 -9.406 1.00 4.45 H new ATOM 0 HZ2 LYS A 75 3.045 7.089 -9.996 1.00 4.45 H new ATOM 0 HZ3 LYS A 75 2.866 6.659 -8.363 1.00 4.45 H new ATOM 1135 N ALA A 76 2.906 10.450 -2.559 1.00 0.97 N ATOM 1136 CA ALA A 76 3.358 11.626 -1.815 1.00 1.04 C ATOM 1137 C ALA A 76 4.847 11.497 -1.473 1.00 0.94 C ATOM 1138 O ALA A 76 5.335 10.378 -1.339 1.00 0.89 O ATOM 1139 CB ALA A 76 2.499 11.782 -0.562 1.00 1.09 C ATOM 0 H ALA A 76 2.674 9.650 -1.971 1.00 0.97 H new ATOM 0 HA ALA A 76 3.244 12.522 -2.425 1.00 1.04 H new ATOM 0 HB1 ALA A 76 2.829 12.656 -0.001 1.00 1.09 H new ATOM 0 HB2 ALA A 76 1.455 11.908 -0.850 1.00 1.09 H new ATOM 0 HB3 ALA A 76 2.599 10.893 0.061 1.00 1.09 H new ATOM 1145 N GLU A 77 5.581 12.609 -1.325 1.00 0.98 N ATOM 1146 CA GLU A 77 6.987 12.591 -0.924 1.00 0.85 C ATOM 1147 C GLU A 77 7.159 13.031 0.534 1.00 0.73 C ATOM 1148 O GLU A 77 6.722 14.113 0.923 1.00 0.75 O ATOM 1149 CB GLU A 77 7.854 13.486 -1.811 1.00 0.92 C ATOM 1150 CG GLU A 77 8.264 12.898 -3.167 1.00 1.23 C ATOM 1151 CD GLU A 77 9.392 13.718 -3.795 1.00 1.76 C ATOM 1152 OE1 GLU A 77 10.497 13.735 -3.199 1.00 2.38 O ATOM 1153 OE2 GLU A 77 9.144 14.347 -4.840 1.00 2.45 O ATOM 0 H GLU A 77 5.211 13.547 -1.481 1.00 0.98 H new ATOM 0 HA GLU A 77 7.317 11.558 -1.037 1.00 0.85 H new ATOM 0 HB2 GLU A 77 7.316 14.417 -1.989 1.00 0.92 H new ATOM 0 HB3 GLU A 77 8.759 13.742 -1.260 1.00 0.92 H new ATOM 0 HG2 GLU A 77 8.587 11.865 -3.038 1.00 1.23 H new ATOM 0 HG3 GLU A 77 7.404 12.881 -3.836 1.00 1.23 H new ATOM 1160 N PHE A 78 7.858 12.206 1.316 1.00 0.70 N ATOM 1161 CA PHE A 78 8.177 12.437 2.714 1.00 0.61 C ATOM 1162 C PHE A 78 9.696 12.434 2.894 1.00 0.49 C ATOM 1163 O PHE A 78 10.435 11.887 2.075 1.00 0.65 O ATOM 1164 CB PHE A 78 7.476 11.380 3.578 1.00 0.71 C ATOM 1165 CG PHE A 78 5.991 11.628 3.804 1.00 0.78 C ATOM 1166 CD1 PHE A 78 5.093 11.537 2.725 1.00 2.11 C ATOM 1167 CD2 PHE A 78 5.496 11.973 5.078 1.00 1.34 C ATOM 1168 CE1 PHE A 78 3.737 11.850 2.904 1.00 2.18 C ATOM 1169 CE2 PHE A 78 4.132 12.250 5.263 1.00 1.43 C ATOM 1170 CZ PHE A 78 3.263 12.239 4.162 1.00 1.09 C ATOM 0 H PHE A 78 8.231 11.322 0.971 1.00 0.70 H new ATOM 0 HA PHE A 78 7.814 13.412 3.038 1.00 0.61 H new ATOM 0 HB2 PHE A 78 7.600 10.405 3.107 1.00 0.71 H new ATOM 0 HB3 PHE A 78 7.974 11.333 4.546 1.00 0.71 H new ATOM 0 HD1 PHE A 78 5.449 11.225 1.754 1.00 2.11 H new ATOM 0 HD2 PHE A 78 6.172 12.025 5.919 1.00 1.34 H new ATOM 0 HE1 PHE A 78 3.056 11.790 2.068 1.00 2.18 H new ATOM 0 HE2 PHE A 78 3.753 12.471 6.250 1.00 1.43 H new ATOM 0 HZ PHE A 78 2.230 12.530 4.285 1.00 1.09 H new ATOM 1180 N ASP A 79 10.155 13.101 3.948 1.00 0.39 N ATOM 1181 CA ASP A 79 11.544 13.328 4.305 1.00 0.36 C ATOM 1182 C ASP A 79 11.838 12.563 5.602 1.00 0.38 C ATOM 1183 O ASP A 79 10.905 12.287 6.356 1.00 0.51 O ATOM 1184 CB ASP A 79 11.740 14.836 4.471 1.00 0.43 C ATOM 1185 CG ASP A 79 13.177 15.218 4.191 1.00 0.91 C ATOM 1186 OD1 ASP A 79 13.978 15.100 5.140 1.00 1.28 O ATOM 1187 OD2 ASP A 79 13.431 15.605 3.028 1.00 2.11 O ATOM 0 H ASP A 79 9.517 13.526 4.621 1.00 0.39 H new ATOM 0 HA ASP A 79 12.233 12.970 3.539 1.00 0.36 H new ATOM 0 HB2 ASP A 79 11.076 15.372 3.792 1.00 0.43 H new ATOM 0 HB3 ASP A 79 11.469 15.135 5.484 1.00 0.43 H new ATOM 1192 N ILE A 80 13.082 12.152 5.857 1.00 0.38 N ATOM 1193 CA ILE A 80 13.421 11.269 6.971 1.00 0.40 C ATOM 1194 C ILE A 80 14.506 11.934 7.813 1.00 0.52 C ATOM 1195 O ILE A 80 15.596 12.169 7.304 1.00 0.62 O ATOM 1196 CB ILE A 80 13.920 9.922 6.428 1.00 0.41 C ATOM 1197 CG1 ILE A 80 13.023 9.382 5.303 1.00 0.38 C ATOM 1198 CG2 ILE A 80 13.985 8.924 7.591 1.00 0.52 C ATOM 1199 CD1 ILE A 80 13.738 8.283 4.535 1.00 0.55 C ATOM 0 H ILE A 80 13.886 12.425 5.292 1.00 0.38 H new ATOM 0 HA ILE A 80 12.541 11.091 7.589 1.00 0.40 H new ATOM 0 HB ILE A 80 14.910 10.065 5.994 1.00 0.41 H new ATOM 0 HG12 ILE A 80 12.095 8.995 5.724 1.00 0.38 H new ATOM 0 HG13 ILE A 80 12.753 10.191 4.625 1.00 0.38 H new ATOM 0 HG21 ILE A 80 14.338 7.960 7.224 1.00 0.52 H new ATOM 0 HG22 ILE A 80 14.671 9.296 8.352 1.00 0.52 H new ATOM 0 HG23 ILE A 80 12.992 8.806 8.025 1.00 0.52 H new ATOM 0 HD11 ILE A 80 13.089 7.912 3.742 1.00 0.55 H new ATOM 0 HD12 ILE A 80 14.654 8.681 4.098 1.00 0.55 H new ATOM 0 HD13 ILE A 80 13.985 7.467 5.214 1.00 0.55 H new ATOM 1211 N GLU A 81 14.258 12.193 9.105 1.00 0.65 N ATOM 1212 CA GLU A 81 15.201 12.971 9.913 1.00 0.94 C ATOM 1213 C GLU A 81 15.717 12.070 11.037 1.00 1.16 C ATOM 1214 O GLU A 81 15.683 12.409 12.218 1.00 1.71 O ATOM 1215 CB GLU A 81 14.474 14.244 10.362 1.00 1.22 C ATOM 1216 CG GLU A 81 15.369 15.347 10.964 1.00 1.43 C ATOM 1217 CD GLU A 81 14.552 16.521 11.489 1.00 1.57 C ATOM 1218 OE1 GLU A 81 13.894 17.189 10.664 1.00 2.27 O ATOM 1219 OE2 GLU A 81 14.510 16.721 12.725 1.00 2.27 O ATOM 0 H GLU A 81 13.426 11.880 9.604 1.00 0.65 H new ATOM 0 HA GLU A 81 16.088 13.300 9.372 1.00 0.94 H new ATOM 0 HB2 GLU A 81 13.944 14.659 9.505 1.00 1.22 H new ATOM 0 HB3 GLU A 81 13.721 13.969 11.100 1.00 1.22 H new ATOM 0 HG2 GLU A 81 15.965 14.928 11.775 1.00 1.43 H new ATOM 0 HG3 GLU A 81 16.067 15.701 10.206 1.00 1.43 H new ATOM 1226 N GLY A 82 16.130 10.867 10.638 1.00 1.25 N ATOM 1227 CA GLY A 82 16.409 9.753 11.540 1.00 1.54 C ATOM 1228 C GLY A 82 17.602 8.880 11.137 1.00 1.49 C ATOM 1229 O GLY A 82 18.406 8.533 11.999 1.00 1.97 O ATOM 0 H GLY A 82 16.283 10.636 9.656 1.00 1.25 H new ATOM 0 HA2 GLY A 82 16.589 10.150 12.539 1.00 1.54 H new ATOM 0 HA3 GLY A 82 15.521 9.124 11.602 1.00 1.54 H new ATOM 1233 N MET A 83 17.695 8.464 9.865 1.00 1.18 N ATOM 1234 CA MET A 83 18.722 7.572 9.371 1.00 1.36 C ATOM 1235 C MET A 83 20.117 7.948 9.866 1.00 1.85 C ATOM 1236 O MET A 83 20.638 9.003 9.526 1.00 2.11 O ATOM 1237 CB MET A 83 18.702 7.553 7.836 1.00 1.36 C ATOM 1238 CG MET A 83 17.376 7.129 7.188 1.00 1.79 C ATOM 1239 SD MET A 83 17.070 7.924 5.596 1.00 2.13 S ATOM 1240 CE MET A 83 18.537 7.366 4.708 1.00 2.76 C ATOM 0 H MET A 83 17.035 8.753 9.143 1.00 1.18 H new ATOM 0 HA MET A 83 18.499 6.579 9.762 1.00 1.36 H new ATOM 0 HB2 MET A 83 18.958 8.550 7.476 1.00 1.36 H new ATOM 0 HB3 MET A 83 19.485 6.879 7.490 1.00 1.36 H new ATOM 0 HG2 MET A 83 17.376 6.048 7.052 1.00 1.79 H new ATOM 0 HG3 MET A 83 16.557 7.365 7.867 1.00 1.79 H new ATOM 0 HE1 MET A 83 18.469 7.673 3.664 1.00 2.76 H new ATOM 0 HE2 MET A 83 19.425 7.807 5.160 1.00 2.76 H new ATOM 0 HE3 MET A 83 18.604 6.279 4.763 1.00 2.76 H new ATOM 1285 N ALA A 87 21.034 1.180 8.244 1.00 1.45 N ATOM 1286 CA ALA A 87 19.972 0.515 7.504 1.00 1.10 C ATOM 1287 C ALA A 87 18.603 1.057 7.924 1.00 0.96 C ATOM 1288 O ALA A 87 17.610 0.334 7.853 1.00 1.02 O ATOM 1289 CB ALA A 87 20.067 -0.998 7.755 1.00 1.60 C ATOM 0 HA ALA A 87 20.087 0.711 6.438 1.00 1.10 H new ATOM 0 HB1 ALA A 87 19.276 -1.508 7.206 1.00 1.60 H new ATOM 0 HB2 ALA A 87 21.037 -1.363 7.417 1.00 1.60 H new ATOM 0 HB3 ALA A 87 19.956 -1.198 8.821 1.00 1.60 H new ATOM 1295 N CYS A 88 18.519 2.316 8.377 1.00 0.84 N ATOM 1296 CA CYS A 88 17.284 2.808 8.964 1.00 0.77 C ATOM 1297 C CYS A 88 16.229 2.865 7.869 1.00 0.69 C ATOM 1298 O CYS A 88 15.147 2.306 8.022 1.00 0.66 O ATOM 1299 CB CYS A 88 17.537 4.191 9.554 1.00 0.75 C ATOM 1300 SG CYS A 88 18.643 4.079 10.986 1.00 1.00 S ATOM 0 H CYS A 88 19.281 2.994 8.346 1.00 0.84 H new ATOM 0 HA CYS A 88 16.935 2.152 9.761 1.00 0.77 H new ATOM 0 HB2 CYS A 88 17.977 4.840 8.797 1.00 0.75 H new ATOM 0 HB3 CYS A 88 16.591 4.644 9.852 1.00 0.75 H new ATOM 0 HG CYS A 88 17.937 3.982 12.073 1.00 1.00 H new ATOM 1306 N ALA A 89 16.580 3.480 6.735 1.00 0.69 N ATOM 1307 CA ALA A 89 15.695 3.528 5.580 1.00 0.70 C ATOM 1308 C ALA A 89 15.363 2.124 5.081 1.00 0.66 C ATOM 1309 O ALA A 89 14.225 1.871 4.712 1.00 0.65 O ATOM 1310 CB ALA A 89 16.292 4.388 4.470 1.00 0.80 C ATOM 0 H ALA A 89 17.474 3.951 6.598 1.00 0.69 H new ATOM 0 HA ALA A 89 14.760 3.993 5.892 1.00 0.70 H new ATOM 0 HB1 ALA A 89 15.611 4.407 3.619 1.00 0.80 H new ATOM 0 HB2 ALA A 89 16.443 5.403 4.837 1.00 0.80 H new ATOM 0 HB3 ALA A 89 17.249 3.969 4.160 1.00 0.80 H new ATOM 1316 N ASN A 90 16.314 1.187 5.082 1.00 0.71 N ATOM 1317 CA ASN A 90 16.002 -0.178 4.652 1.00 0.76 C ATOM 1318 C ASN A 90 14.889 -0.764 5.527 1.00 0.71 C ATOM 1319 O ASN A 90 13.890 -1.288 5.033 1.00 0.69 O ATOM 1320 CB ASN A 90 17.232 -1.098 4.689 1.00 0.99 C ATOM 1321 CG ASN A 90 18.224 -0.819 3.565 1.00 1.15 C ATOM 1322 OD1 ASN A 90 18.451 0.328 3.206 1.00 2.08 O ATOM 1323 ND2 ASN A 90 18.840 -1.858 3.009 1.00 1.63 N ATOM 0 H ASN A 90 17.281 1.341 5.367 1.00 0.71 H new ATOM 0 HA ASN A 90 15.667 -0.121 3.616 1.00 0.76 H new ATOM 0 HB2 ASN A 90 17.737 -0.981 5.648 1.00 0.99 H new ATOM 0 HB3 ASN A 90 16.904 -2.136 4.626 1.00 0.99 H new ATOM 0 HD21 ASN A 90 19.521 -1.709 2.264 1.00 1.63 H new ATOM 0 HD22 ASN A 90 18.632 -2.804 3.327 1.00 1.63 H new ATOM 1330 N ARG A 91 15.062 -0.666 6.846 1.00 0.73 N ATOM 1331 CA ARG A 91 14.062 -1.103 7.811 1.00 0.75 C ATOM 1332 C ARG A 91 12.727 -0.400 7.534 1.00 0.64 C ATOM 1333 O ARG A 91 11.686 -1.049 7.422 1.00 0.65 O ATOM 1334 CB ARG A 91 14.567 -0.827 9.238 1.00 0.82 C ATOM 1335 CG ARG A 91 15.187 -2.055 9.921 1.00 1.08 C ATOM 1336 CD ARG A 91 16.364 -2.657 9.137 1.00 1.91 C ATOM 1337 NE ARG A 91 17.362 -3.281 10.025 1.00 2.31 N ATOM 1338 CZ ARG A 91 17.229 -4.449 10.675 1.00 2.70 C ATOM 1339 NH1 ARG A 91 16.119 -5.176 10.520 1.00 3.37 N ATOM 1340 NH2 ARG A 91 18.207 -4.879 11.480 1.00 3.49 N ATOM 0 H ARG A 91 15.904 -0.279 7.273 1.00 0.73 H new ATOM 0 HA ARG A 91 13.897 -2.176 7.714 1.00 0.75 H new ATOM 0 HB2 ARG A 91 15.308 -0.028 9.204 1.00 0.82 H new ATOM 0 HB3 ARG A 91 13.737 -0.465 9.844 1.00 0.82 H new ATOM 0 HG2 ARG A 91 15.529 -1.774 10.917 1.00 1.08 H new ATOM 0 HG3 ARG A 91 14.418 -2.817 10.051 1.00 1.08 H new ATOM 0 HD2 ARG A 91 15.988 -3.402 8.435 1.00 1.91 H new ATOM 0 HD3 ARG A 91 16.843 -1.876 8.547 1.00 1.91 H new ATOM 0 HE ARG A 91 18.239 -2.777 10.159 1.00 2.31 H new ATOM 0 HH11 ARG A 91 15.373 -4.844 9.908 1.00 3.37 H new ATOM 0 HH12 ARG A 91 16.017 -6.063 11.013 1.00 3.37 H new ATOM 0 HH21 ARG A 91 19.052 -4.320 11.599 1.00 3.49 H new ATOM 0 HH22 ARG A 91 18.108 -5.766 11.974 1.00 3.49 H new ATOM 1354 N ILE A 92 12.764 0.929 7.420 1.00 0.55 N ATOM 1355 CA ILE A 92 11.585 1.748 7.176 1.00 0.49 C ATOM 1356 C ILE A 92 10.874 1.294 5.897 1.00 0.49 C ATOM 1357 O ILE A 92 9.658 1.136 5.896 1.00 0.52 O ATOM 1358 CB ILE A 92 11.958 3.251 7.220 1.00 0.52 C ATOM 1359 CG1 ILE A 92 11.096 3.978 8.261 1.00 2.17 C ATOM 1360 CG2 ILE A 92 11.916 3.991 5.870 1.00 2.72 C ATOM 1361 CD1 ILE A 92 11.535 5.435 8.435 1.00 2.45 C ATOM 0 H ILE A 92 13.626 1.469 7.496 1.00 0.55 H new ATOM 0 HA ILE A 92 10.854 1.609 7.972 1.00 0.49 H new ATOM 0 HB ILE A 92 13.009 3.271 7.507 1.00 0.52 H new ATOM 0 HG12 ILE A 92 10.050 3.946 7.955 1.00 2.17 H new ATOM 0 HG13 ILE A 92 11.164 3.460 9.217 1.00 2.17 H new ATOM 0 HG21 ILE A 92 12.194 5.034 6.018 1.00 2.72 H new ATOM 0 HG22 ILE A 92 12.616 3.524 5.177 1.00 2.72 H new ATOM 0 HG23 ILE A 92 10.908 3.939 5.458 1.00 2.72 H new ATOM 0 HD11 ILE A 92 10.903 5.919 9.179 1.00 2.45 H new ATOM 0 HD12 ILE A 92 12.573 5.465 8.766 1.00 2.45 H new ATOM 0 HD13 ILE A 92 11.442 5.959 7.484 1.00 2.45 H new ATOM 1373 N GLU A 93 11.630 1.024 4.833 1.00 0.51 N ATOM 1374 CA GLU A 93 11.136 0.639 3.531 1.00 0.52 C ATOM 1375 C GLU A 93 10.337 -0.644 3.688 1.00 0.50 C ATOM 1376 O GLU A 93 9.163 -0.689 3.324 1.00 0.52 O ATOM 1377 CB GLU A 93 12.337 0.487 2.583 1.00 0.57 C ATOM 1378 CG GLU A 93 11.946 0.121 1.147 1.00 0.61 C ATOM 1379 CD GLU A 93 12.400 -1.278 0.762 1.00 1.08 C ATOM 1380 OE1 GLU A 93 13.596 -1.602 0.904 1.00 2.01 O ATOM 1381 OE2 GLU A 93 11.566 -2.135 0.402 1.00 2.10 O ATOM 0 H GLU A 93 12.648 1.073 4.867 1.00 0.51 H new ATOM 0 HA GLU A 93 10.473 1.390 3.101 1.00 0.52 H new ATOM 0 HB2 GLU A 93 12.899 1.421 2.570 1.00 0.57 H new ATOM 0 HB3 GLU A 93 13.004 -0.281 2.976 1.00 0.57 H new ATOM 0 HG2 GLU A 93 10.864 0.192 1.039 1.00 0.61 H new ATOM 0 HG3 GLU A 93 12.383 0.844 0.459 1.00 0.61 H new ATOM 1388 N LYS A 94 10.948 -1.675 4.278 1.00 0.55 N ATOM 1389 CA LYS A 94 10.281 -2.957 4.454 1.00 0.57 C ATOM 1390 C LYS A 94 9.022 -2.833 5.324 1.00 0.55 C ATOM 1391 O LYS A 94 8.120 -3.667 5.208 1.00 0.62 O ATOM 1392 CB LYS A 94 11.258 -4.018 4.991 1.00 0.61 C ATOM 1393 CG LYS A 94 12.083 -4.686 3.875 1.00 0.77 C ATOM 1394 CD LYS A 94 13.207 -3.791 3.332 1.00 1.37 C ATOM 1395 CE LYS A 94 13.921 -4.389 2.111 1.00 1.78 C ATOM 1396 NZ LYS A 94 13.123 -4.262 0.874 1.00 2.81 N ATOM 0 H LYS A 94 11.901 -1.642 4.639 1.00 0.55 H new ATOM 0 HA LYS A 94 9.944 -3.293 3.473 1.00 0.57 H new ATOM 0 HB2 LYS A 94 11.934 -3.553 5.708 1.00 0.61 H new ATOM 0 HB3 LYS A 94 10.698 -4.782 5.530 1.00 0.61 H new ATOM 0 HG2 LYS A 94 12.516 -5.610 4.257 1.00 0.77 H new ATOM 0 HG3 LYS A 94 11.418 -4.960 3.056 1.00 0.77 H new ATOM 0 HD2 LYS A 94 12.791 -2.820 3.062 1.00 1.37 H new ATOM 0 HD3 LYS A 94 13.937 -3.616 4.122 1.00 1.37 H new ATOM 0 HE2 LYS A 94 14.880 -3.890 1.974 1.00 1.78 H new ATOM 0 HE3 LYS A 94 14.133 -5.442 2.297 1.00 1.78 H new ATOM 0 HZ1 LYS A 94 12.800 -5.203 0.571 1.00 2.81 H new ATOM 0 HZ2 LYS A 94 12.299 -3.654 1.054 1.00 2.81 H new ATOM 0 HZ3 LYS A 94 13.708 -3.839 0.125 1.00 2.81 H new ATOM 1410 N ARG A 95 8.939 -1.815 6.191 1.00 0.50 N ATOM 1411 CA ARG A 95 7.670 -1.490 6.842 1.00 0.50 C ATOM 1412 C ARG A 95 6.712 -0.840 5.839 1.00 0.44 C ATOM 1413 O ARG A 95 5.721 -1.447 5.425 1.00 0.48 O ATOM 1414 CB ARG A 95 7.894 -0.587 8.067 1.00 0.62 C ATOM 1415 CG ARG A 95 7.886 -1.374 9.378 1.00 1.23 C ATOM 1416 CD ARG A 95 9.094 -2.316 9.513 1.00 1.25 C ATOM 1417 NE ARG A 95 8.704 -3.732 9.580 1.00 1.66 N ATOM 1418 CZ ARG A 95 8.143 -4.320 10.651 1.00 1.79 C ATOM 1419 NH1 ARG A 95 7.783 -3.574 11.701 1.00 2.39 N ATOM 1420 NH2 ARG A 95 7.947 -5.644 10.668 1.00 2.67 N ATOM 0 H ARG A 95 9.721 -1.215 6.452 1.00 0.50 H new ATOM 0 HA ARG A 95 7.216 -2.415 7.198 1.00 0.50 H new ATOM 0 HB2 ARG A 95 8.847 -0.068 7.963 1.00 0.62 H new ATOM 0 HB3 ARG A 95 7.117 0.177 8.100 1.00 0.62 H new ATOM 0 HG2 ARG A 95 7.879 -0.676 10.216 1.00 1.23 H new ATOM 0 HG3 ARG A 95 6.967 -1.957 9.441 1.00 1.23 H new ATOM 0 HD2 ARG A 95 9.762 -2.167 8.665 1.00 1.25 H new ATOM 0 HD3 ARG A 95 9.655 -2.055 10.410 1.00 1.25 H new ATOM 0 HE ARG A 95 8.871 -4.309 8.756 1.00 1.66 H new ATOM 0 HH11 ARG A 95 7.935 -2.565 11.686 1.00 2.39 H new ATOM 0 HH12 ARG A 95 7.357 -4.014 12.517 1.00 2.39 H new ATOM 0 HH21 ARG A 95 8.224 -6.211 9.866 1.00 2.67 H new ATOM 0 HH22 ARG A 95 7.521 -6.086 11.483 1.00 2.67 H new ATOM 1434 N LEU A 96 7.024 0.409 5.472 1.00 0.40 N ATOM 1435 CA LEU A 96 6.198 1.284 4.644 1.00 0.42 C ATOM 1436 C LEU A 96 5.635 0.550 3.430 1.00 0.44 C ATOM 1437 O LEU A 96 4.461 0.726 3.135 1.00 0.49 O ATOM 1438 CB LEU A 96 6.955 2.559 4.253 1.00 0.45 C ATOM 1439 CG LEU A 96 6.831 3.655 5.329 1.00 0.68 C ATOM 1440 CD1 LEU A 96 8.194 4.259 5.653 1.00 0.78 C ATOM 1441 CD2 LEU A 96 5.899 4.775 4.853 1.00 1.84 C ATOM 0 H LEU A 96 7.897 0.852 5.758 1.00 0.40 H new ATOM 0 HA LEU A 96 5.342 1.592 5.244 1.00 0.42 H new ATOM 0 HB2 LEU A 96 8.007 2.322 4.096 1.00 0.45 H new ATOM 0 HB3 LEU A 96 6.568 2.935 3.306 1.00 0.45 H new ATOM 0 HG LEU A 96 6.420 3.188 6.224 1.00 0.68 H new ATOM 0 HD11 LEU A 96 8.079 5.030 6.415 1.00 0.78 H new ATOM 0 HD12 LEU A 96 8.859 3.479 6.024 1.00 0.78 H new ATOM 0 HD13 LEU A 96 8.620 4.700 4.752 1.00 0.78 H new ATOM 0 HD21 LEU A 96 5.824 5.539 5.626 1.00 1.84 H new ATOM 0 HD22 LEU A 96 6.299 5.219 3.942 1.00 1.84 H new ATOM 0 HD23 LEU A 96 4.910 4.364 4.652 1.00 1.84 H new ATOM 1453 N ASN A 97 6.441 -0.315 2.798 1.00 0.45 N ATOM 1454 CA ASN A 97 6.063 -1.234 1.719 1.00 0.53 C ATOM 1455 C ASN A 97 4.595 -1.648 1.785 1.00 0.56 C ATOM 1456 O ASN A 97 3.917 -1.675 0.762 1.00 0.60 O ATOM 1457 CB ASN A 97 6.892 -2.531 1.810 1.00 0.73 C ATOM 1458 CG ASN A 97 7.966 -2.655 0.738 1.00 0.97 C ATOM 1459 OD1 ASN A 97 7.894 -3.522 -0.128 1.00 1.62 O ATOM 1460 ND2 ASN A 97 8.996 -1.831 0.839 1.00 1.66 N ATOM 0 H ASN A 97 7.428 -0.395 3.041 1.00 0.45 H new ATOM 0 HA ASN A 97 6.247 -0.695 0.790 1.00 0.53 H new ATOM 0 HB2 ASN A 97 7.365 -2.580 2.791 1.00 0.73 H new ATOM 0 HB3 ASN A 97 6.220 -3.386 1.737 1.00 0.73 H new ATOM 0 HD21 ASN A 97 9.772 -1.902 0.181 1.00 1.66 H new ATOM 0 HD22 ASN A 97 9.014 -1.125 1.575 1.00 1.66 H new ATOM 1467 N LYS A 98 4.135 -2.046 2.975 1.00 0.59 N ATOM 1468 CA LYS A 98 2.797 -2.587 3.144 1.00 0.66 C ATOM 1469 C LYS A 98 2.348 -2.462 4.598 1.00 0.77 C ATOM 1470 O LYS A 98 2.043 -3.465 5.229 1.00 0.98 O ATOM 1471 CB LYS A 98 2.746 -4.029 2.598 1.00 0.66 C ATOM 1472 CG LYS A 98 3.789 -4.989 3.212 1.00 0.73 C ATOM 1473 CD LYS A 98 3.203 -5.941 4.274 1.00 2.28 C ATOM 1474 CE LYS A 98 3.888 -5.814 5.644 1.00 3.44 C ATOM 1475 NZ LYS A 98 5.253 -6.373 5.644 1.00 4.15 N ATOM 0 H LYS A 98 4.679 -2.000 3.836 1.00 0.59 H new ATOM 0 HA LYS A 98 2.081 -2.007 2.562 1.00 0.66 H new ATOM 0 HB2 LYS A 98 1.750 -4.435 2.775 1.00 0.66 H new ATOM 0 HB3 LYS A 98 2.891 -3.999 1.518 1.00 0.66 H new ATOM 0 HG2 LYS A 98 4.239 -5.581 2.415 1.00 0.73 H new ATOM 0 HG3 LYS A 98 4.589 -4.402 3.664 1.00 0.73 H new ATOM 0 HD2 LYS A 98 2.138 -5.738 4.387 1.00 2.28 H new ATOM 0 HD3 LYS A 98 3.296 -6.969 3.922 1.00 2.28 H new ATOM 0 HE2 LYS A 98 3.929 -4.763 5.931 1.00 3.44 H new ATOM 0 HE3 LYS A 98 3.288 -6.327 6.396 1.00 3.44 H new ATOM 0 HZ1 LYS A 98 5.673 -6.264 6.589 1.00 4.15 H new ATOM 0 HZ2 LYS A 98 5.215 -7.382 5.397 1.00 4.15 H new ATOM 0 HZ3 LYS A 98 5.835 -5.867 4.946 1.00 4.15 H new ATOM 1489 N ILE A 99 2.301 -1.239 5.132 1.00 0.71 N ATOM 1490 CA ILE A 99 1.753 -1.009 6.468 1.00 0.78 C ATOM 1491 C ILE A 99 0.324 -1.570 6.542 1.00 0.83 C ATOM 1492 O ILE A 99 0.113 -2.595 7.181 1.00 1.12 O ATOM 1493 CB ILE A 99 1.936 0.472 6.860 1.00 0.83 C ATOM 1494 CG1 ILE A 99 3.398 0.755 7.255 1.00 0.76 C ATOM 1495 CG2 ILE A 99 0.997 0.950 7.969 1.00 1.11 C ATOM 1496 CD1 ILE A 99 3.841 0.165 8.601 1.00 1.37 C ATOM 0 H ILE A 99 2.634 -0.398 4.661 1.00 0.71 H new ATOM 0 HA ILE A 99 2.300 -1.558 7.235 1.00 0.78 H new ATOM 0 HB ILE A 99 1.671 1.040 5.969 1.00 0.83 H new ATOM 0 HG12 ILE A 99 4.050 0.364 6.474 1.00 0.76 H new ATOM 0 HG13 ILE A 99 3.547 1.834 7.284 1.00 0.76 H new ATOM 0 HG21 ILE A 99 1.192 2.001 8.183 1.00 1.11 H new ATOM 0 HG22 ILE A 99 -0.037 0.831 7.646 1.00 1.11 H new ATOM 0 HG23 ILE A 99 1.166 0.359 8.869 1.00 1.11 H new ATOM 0 HD11 ILE A 99 4.884 0.421 8.785 1.00 1.37 H new ATOM 0 HD12 ILE A 99 3.221 0.574 9.399 1.00 1.37 H new ATOM 0 HD13 ILE A 99 3.732 -0.919 8.576 1.00 1.37 H new ATOM 1508 N GLU A 100 -0.617 -0.970 5.808 1.00 0.80 N ATOM 1509 CA GLU A 100 -1.952 -1.531 5.613 1.00 0.83 C ATOM 1510 C GLU A 100 -2.432 -1.221 4.195 1.00 0.84 C ATOM 1511 O GLU A 100 -2.717 -2.130 3.412 1.00 1.33 O ATOM 1512 CB GLU A 100 -2.935 -0.979 6.657 1.00 0.93 C ATOM 1513 CG GLU A 100 -2.821 -1.627 8.051 1.00 0.88 C ATOM 1514 CD GLU A 100 -1.862 -0.916 9.000 1.00 2.40 C ATOM 1515 OE1 GLU A 100 -1.817 0.330 8.926 1.00 3.44 O ATOM 1516 OE2 GLU A 100 -1.214 -1.619 9.806 1.00 3.35 O ATOM 0 H GLU A 100 -0.472 -0.080 5.332 1.00 0.80 H new ATOM 0 HA GLU A 100 -1.906 -2.612 5.744 1.00 0.83 H new ATOM 0 HB2 GLU A 100 -2.775 0.095 6.756 1.00 0.93 H new ATOM 0 HB3 GLU A 100 -3.951 -1.117 6.289 1.00 0.93 H new ATOM 0 HG2 GLU A 100 -3.810 -1.655 8.507 1.00 0.88 H new ATOM 0 HG3 GLU A 100 -2.496 -2.661 7.932 1.00 0.88 H new ATOM 1523 N GLY A 101 -2.509 0.071 3.860 1.00 0.76 N ATOM 1524 CA GLY A 101 -2.990 0.543 2.570 1.00 0.79 C ATOM 1525 C GLY A 101 -1.911 1.303 1.820 1.00 0.76 C ATOM 1526 O GLY A 101 -2.139 2.430 1.381 1.00 0.86 O ATOM 0 H GLY A 101 -2.234 0.824 4.490 1.00 0.76 H new ATOM 0 HA2 GLY A 101 -3.322 -0.305 1.972 1.00 0.79 H new ATOM 0 HA3 GLY A 101 -3.856 1.188 2.717 1.00 0.79 H new ATOM 1530 N VAL A 102 -0.749 0.666 1.649 1.00 0.74 N ATOM 1531 CA VAL A 102 0.393 1.209 0.928 1.00 0.71 C ATOM 1532 C VAL A 102 0.649 0.340 -0.297 1.00 0.72 C ATOM 1533 O VAL A 102 0.687 -0.885 -0.190 1.00 0.67 O ATOM 1534 CB VAL A 102 1.619 1.317 1.848 1.00 0.64 C ATOM 1535 CG1 VAL A 102 2.707 2.133 1.136 1.00 0.62 C ATOM 1536 CG2 VAL A 102 1.243 1.982 3.179 1.00 0.63 C ATOM 0 H VAL A 102 -0.578 -0.268 2.021 1.00 0.74 H new ATOM 0 HA VAL A 102 0.182 2.224 0.591 1.00 0.71 H new ATOM 0 HB VAL A 102 1.993 0.317 2.066 1.00 0.64 H new ATOM 0 HG11 VAL A 102 3.581 2.215 1.782 1.00 0.62 H new ATOM 0 HG12 VAL A 102 2.987 1.635 0.208 1.00 0.62 H new ATOM 0 HG13 VAL A 102 2.326 3.130 0.912 1.00 0.62 H new ATOM 0 HG21 VAL A 102 2.126 2.048 3.815 1.00 0.63 H new ATOM 0 HG22 VAL A 102 0.857 2.983 2.989 1.00 0.63 H new ATOM 0 HG23 VAL A 102 0.479 1.387 3.680 1.00 0.63 H new ATOM 1546 N ALA A 103 0.759 0.980 -1.464 1.00 0.83 N ATOM 1547 CA ALA A 103 1.089 0.319 -2.712 1.00 0.87 C ATOM 1548 C ALA A 103 2.596 0.143 -2.778 1.00 0.82 C ATOM 1549 O ALA A 103 3.078 -0.956 -3.038 1.00 0.84 O ATOM 1550 CB ALA A 103 0.605 1.134 -3.917 1.00 0.96 C ATOM 0 H ALA A 103 0.618 1.986 -1.561 1.00 0.83 H new ATOM 0 HA ALA A 103 0.590 -0.649 -2.747 1.00 0.87 H new ATOM 0 HB1 ALA A 103 0.867 0.613 -4.838 1.00 0.96 H new ATOM 0 HB2 ALA A 103 -0.477 1.255 -3.864 1.00 0.96 H new ATOM 0 HB3 ALA A 103 1.080 2.115 -3.907 1.00 0.96 H new ATOM 1556 N ASN A 104 3.332 1.237 -2.561 1.00 0.79 N ATOM 1557 CA ASN A 104 4.783 1.248 -2.703 1.00 0.78 C ATOM 1558 C ASN A 104 5.373 2.291 -1.772 1.00 0.73 C ATOM 1559 O ASN A 104 4.672 3.184 -1.295 1.00 0.75 O ATOM 1560 CB ASN A 104 5.228 1.555 -4.143 1.00 0.84 C ATOM 1561 CG ASN A 104 4.756 0.520 -5.152 1.00 0.88 C ATOM 1562 OD1 ASN A 104 5.257 -0.600 -5.182 1.00 0.92 O ATOM 1563 ND2 ASN A 104 3.809 0.891 -6.001 1.00 0.94 N ATOM 0 H ASN A 104 2.936 2.135 -2.283 1.00 0.79 H new ATOM 0 HA ASN A 104 5.142 0.251 -2.448 1.00 0.78 H new ATOM 0 HB2 ASN A 104 4.847 2.534 -4.433 1.00 0.84 H new ATOM 0 HB3 ASN A 104 6.316 1.614 -4.175 1.00 0.84 H new ATOM 0 HD21 ASN A 104 3.474 0.237 -6.709 1.00 0.94 H new ATOM 0 HD22 ASN A 104 3.415 1.830 -5.947 1.00 0.94 H new ATOM 1570 N ALA A 105 6.681 2.178 -1.538 1.00 0.67 N ATOM 1571 CA ALA A 105 7.397 3.092 -0.661 1.00 0.60 C ATOM 1572 C ALA A 105 8.901 3.145 -0.960 1.00 0.61 C ATOM 1573 O ALA A 105 9.700 2.744 -0.114 1.00 0.61 O ATOM 1574 CB ALA A 105 7.136 2.704 0.796 1.00 0.60 C ATOM 0 H ALA A 105 7.267 1.453 -1.951 1.00 0.67 H new ATOM 0 HA ALA A 105 7.020 4.098 -0.845 1.00 0.60 H new ATOM 0 HB1 ALA A 105 7.671 3.387 1.456 1.00 0.60 H new ATOM 0 HB2 ALA A 105 6.067 2.763 1.002 1.00 0.60 H new ATOM 0 HB3 ALA A 105 7.483 1.685 0.969 1.00 0.60 H new ATOM 1580 N PRO A 106 9.322 3.605 -2.149 1.00 0.63 N ATOM 1581 CA PRO A 106 10.730 3.657 -2.495 1.00 0.65 C ATOM 1582 C PRO A 106 11.439 4.760 -1.700 1.00 0.61 C ATOM 1583 O PRO A 106 10.937 5.880 -1.577 1.00 0.61 O ATOM 1584 CB PRO A 106 10.773 3.899 -4.005 1.00 0.71 C ATOM 1585 CG PRO A 106 9.483 4.673 -4.267 1.00 0.72 C ATOM 1586 CD PRO A 106 8.501 4.083 -3.249 1.00 0.66 C ATOM 0 HA PRO A 106 11.255 2.736 -2.243 1.00 0.65 H new ATOM 0 HB2 PRO A 106 11.653 4.472 -4.297 1.00 0.71 H new ATOM 0 HB3 PRO A 106 10.802 2.963 -4.563 1.00 0.71 H new ATOM 0 HG2 PRO A 106 9.620 5.744 -4.119 1.00 0.72 H new ATOM 0 HG3 PRO A 106 9.132 4.535 -5.290 1.00 0.72 H new ATOM 0 HD2 PRO A 106 7.789 4.835 -2.909 1.00 0.66 H new ATOM 0 HD3 PRO A 106 7.922 3.271 -3.688 1.00 0.66 H new ATOM 1594 N VAL A 107 12.618 4.425 -1.167 1.00 0.61 N ATOM 1595 CA VAL A 107 13.481 5.330 -0.426 1.00 0.60 C ATOM 1596 C VAL A 107 14.516 5.937 -1.377 1.00 0.60 C ATOM 1597 O VAL A 107 15.106 5.223 -2.186 1.00 0.73 O ATOM 1598 CB VAL A 107 14.139 4.600 0.763 1.00 0.72 C ATOM 1599 CG1 VAL A 107 13.087 4.234 1.816 1.00 1.30 C ATOM 1600 CG2 VAL A 107 14.894 3.321 0.370 1.00 1.94 C ATOM 0 H VAL A 107 13.004 3.484 -1.246 1.00 0.61 H new ATOM 0 HA VAL A 107 12.889 6.144 -0.007 1.00 0.60 H new ATOM 0 HB VAL A 107 14.870 5.303 1.162 1.00 0.72 H new ATOM 0 HG11 VAL A 107 13.568 3.720 2.648 1.00 1.30 H new ATOM 0 HG12 VAL A 107 12.606 5.142 2.180 1.00 1.30 H new ATOM 0 HG13 VAL A 107 12.338 3.580 1.370 1.00 1.30 H new ATOM 0 HG21 VAL A 107 15.328 2.866 1.261 1.00 1.94 H new ATOM 0 HG22 VAL A 107 14.202 2.619 -0.096 1.00 1.94 H new ATOM 0 HG23 VAL A 107 15.688 3.569 -0.334 1.00 1.94 H new ATOM 1610 N ASN A 108 14.747 7.249 -1.288 1.00 0.58 N ATOM 1611 CA ASN A 108 15.718 7.937 -2.127 1.00 0.73 C ATOM 1612 C ASN A 108 17.129 7.724 -1.608 1.00 0.94 C ATOM 1613 O ASN A 108 18.072 7.677 -2.394 1.00 2.83 O ATOM 1614 CB ASN A 108 15.455 9.445 -2.131 1.00 0.77 C ATOM 1615 CG ASN A 108 14.212 9.829 -2.923 1.00 1.22 C ATOM 1616 OD1 ASN A 108 13.092 9.514 -2.528 1.00 1.58 O ATOM 1617 ND2 ASN A 108 14.399 10.550 -4.025 1.00 1.78 N ATOM 0 H ASN A 108 14.263 7.860 -0.630 1.00 0.58 H new ATOM 0 HA ASN A 108 15.619 7.528 -3.132 1.00 0.73 H new ATOM 0 HB2 ASN A 108 15.346 9.792 -1.104 1.00 0.77 H new ATOM 0 HB3 ASN A 108 16.320 9.958 -2.551 1.00 0.77 H new ATOM 0 HD21 ASN A 108 13.597 10.861 -4.573 1.00 1.78 H new ATOM 0 HD22 ASN A 108 15.344 10.792 -4.322 1.00 1.78 H new ATOM 1624 N PHE A 109 17.285 7.703 -0.280 1.00 1.24 N ATOM 1625 CA PHE A 109 18.549 7.713 0.435 1.00 1.18 C ATOM 1626 C PHE A 109 19.334 9.016 0.282 1.00 1.35 C ATOM 1627 O PHE A 109 19.735 9.601 1.281 1.00 2.15 O ATOM 1628 CB PHE A 109 19.417 6.500 0.088 1.00 1.10 C ATOM 1629 CG PHE A 109 19.376 5.413 1.135 1.00 1.40 C ATOM 1630 CD1 PHE A 109 20.135 5.547 2.312 1.00 1.77 C ATOM 1631 CD2 PHE A 109 18.552 4.291 0.952 1.00 2.88 C ATOM 1632 CE1 PHE A 109 20.122 4.525 3.274 1.00 1.89 C ATOM 1633 CE2 PHE A 109 18.558 3.260 1.901 1.00 3.41 C ATOM 1634 CZ PHE A 109 19.383 3.353 3.039 1.00 2.40 C ATOM 0 H PHE A 109 16.485 7.677 0.352 1.00 1.24 H new ATOM 0 HA PHE A 109 18.279 7.644 1.489 1.00 1.18 H new ATOM 0 HB2 PHE A 109 19.087 6.088 -0.866 1.00 1.10 H new ATOM 0 HB3 PHE A 109 20.448 6.827 -0.045 1.00 1.10 H new ATOM 0 HD1 PHE A 109 20.727 6.435 2.475 1.00 1.77 H new ATOM 0 HD2 PHE A 109 17.915 4.223 0.082 1.00 2.88 H new ATOM 0 HE1 PHE A 109 20.679 4.639 4.193 1.00 1.89 H new ATOM 0 HE2 PHE A 109 17.929 2.393 1.760 1.00 3.41 H new ATOM 0 HZ PHE A 109 19.447 2.525 3.730 1.00 2.40 H new ATOM 1644 N ALA A 110 19.587 9.459 -0.950 1.00 0.91 N ATOM 1645 CA ALA A 110 20.596 10.465 -1.246 1.00 1.21 C ATOM 1646 C ALA A 110 20.311 11.772 -0.513 1.00 1.45 C ATOM 1647 O ALA A 110 21.236 12.437 -0.056 1.00 1.82 O ATOM 1648 CB ALA A 110 20.672 10.683 -2.759 1.00 1.27 C ATOM 0 H ALA A 110 19.090 9.124 -1.775 1.00 0.91 H new ATOM 0 HA ALA A 110 21.562 10.107 -0.892 1.00 1.21 H new ATOM 0 HB1 ALA A 110 21.428 11.437 -2.981 1.00 1.27 H new ATOM 0 HB2 ALA A 110 20.939 9.746 -3.249 1.00 1.27 H new ATOM 0 HB3 ALA A 110 19.703 11.022 -3.127 1.00 1.27 H new ATOM 1654 N LEU A 111 19.028 12.131 -0.420 1.00 1.39 N ATOM 1655 CA LEU A 111 18.568 13.319 0.287 1.00 1.71 C ATOM 1656 C LEU A 111 17.814 12.922 1.569 1.00 1.34 C ATOM 1657 O LEU A 111 17.122 13.757 2.140 1.00 1.25 O ATOM 1658 CB LEU A 111 17.721 14.223 -0.646 1.00 2.12 C ATOM 1659 CG LEU A 111 17.602 13.784 -2.122 1.00 1.93 C ATOM 1660 CD1 LEU A 111 16.448 14.532 -2.799 1.00 2.30 C ATOM 1661 CD2 LEU A 111 18.889 14.094 -2.903 1.00 1.99 C ATOM 0 H LEU A 111 18.271 11.593 -0.842 1.00 1.39 H new ATOM 0 HA LEU A 111 19.433 13.908 0.592 1.00 1.71 H new ATOM 0 HB2 LEU A 111 16.716 14.293 -0.230 1.00 2.12 H new ATOM 0 HB3 LEU A 111 18.146 15.227 -0.623 1.00 2.12 H new ATOM 0 HG LEU A 111 17.424 12.709 -2.128 1.00 1.93 H new ATOM 0 HD11 LEU A 111 16.371 14.217 -3.840 1.00 2.30 H new ATOM 0 HD12 LEU A 111 15.515 14.307 -2.282 1.00 2.30 H new ATOM 0 HD13 LEU A 111 16.636 15.605 -2.758 1.00 2.30 H new ATOM 0 HD21 LEU A 111 18.773 13.773 -3.938 1.00 1.99 H new ATOM 0 HD22 LEU A 111 19.082 15.166 -2.875 1.00 1.99 H new ATOM 0 HD23 LEU A 111 19.726 13.563 -2.450 1.00 1.99 H new ATOM 1673 N GLU A 112 17.913 11.655 1.999 1.00 1.21 N ATOM 1674 CA GLU A 112 17.218 11.106 3.157 1.00 1.00 C ATOM 1675 C GLU A 112 15.702 11.308 3.044 1.00 0.74 C ATOM 1676 O GLU A 112 15.069 11.891 3.920 1.00 0.65 O ATOM 1677 CB GLU A 112 17.846 11.649 4.452 1.00 1.26 C ATOM 1678 CG GLU A 112 19.286 11.117 4.579 1.00 1.59 C ATOM 1679 CD GLU A 112 20.052 11.677 5.771 1.00 2.52 C ATOM 1680 OE1 GLU A 112 19.702 12.787 6.224 1.00 3.30 O ATOM 1681 OE2 GLU A 112 20.999 10.979 6.192 1.00 3.23 O ATOM 0 H GLU A 112 18.501 10.967 1.529 1.00 1.21 H new ATOM 0 HA GLU A 112 17.348 10.024 3.190 1.00 1.00 H new ATOM 0 HB2 GLU A 112 17.848 12.739 4.440 1.00 1.26 H new ATOM 0 HB3 GLU A 112 17.254 11.341 5.314 1.00 1.26 H new ATOM 0 HG2 GLU A 112 19.255 10.030 4.658 1.00 1.59 H new ATOM 0 HG3 GLU A 112 19.832 11.354 3.666 1.00 1.59 H new ATOM 1688 N THR A 113 15.110 10.787 1.960 1.00 0.71 N ATOM 1689 CA THR A 113 13.690 10.941 1.657 1.00 0.58 C ATOM 1690 C THR A 113 13.077 9.589 1.296 1.00 0.51 C ATOM 1691 O THR A 113 13.799 8.659 0.931 1.00 0.61 O ATOM 1692 CB THR A 113 13.452 12.019 0.572 1.00 0.78 C ATOM 1693 OG1 THR A 113 13.496 11.541 -0.755 1.00 0.68 O ATOM 1694 CG2 THR A 113 14.538 13.087 0.596 1.00 1.23 C ATOM 0 H THR A 113 15.616 10.240 1.263 1.00 0.71 H new ATOM 0 HA THR A 113 13.179 11.301 2.550 1.00 0.58 H new ATOM 0 HB THR A 113 12.457 12.389 0.820 1.00 0.78 H new ATOM 0 HG1 THR A 113 14.300 11.882 -1.199 1.00 0.68 H new ATOM 0 HG21 THR A 113 14.338 13.827 -0.179 1.00 1.23 H new ATOM 0 HG22 THR A 113 14.546 13.576 1.570 1.00 1.23 H new ATOM 0 HG23 THR A 113 15.508 12.624 0.414 1.00 1.23 H new ATOM 1702 N VAL A 114 11.749 9.496 1.384 1.00 0.48 N ATOM 1703 CA VAL A 114 10.961 8.343 0.983 1.00 0.50 C ATOM 1704 C VAL A 114 9.708 8.832 0.271 1.00 0.52 C ATOM 1705 O VAL A 114 9.002 9.699 0.785 1.00 0.52 O ATOM 1706 CB VAL A 114 10.643 7.449 2.201 1.00 0.47 C ATOM 1707 CG1 VAL A 114 9.980 8.197 3.367 1.00 0.45 C ATOM 1708 CG2 VAL A 114 9.771 6.244 1.829 1.00 0.51 C ATOM 0 H VAL A 114 11.176 10.255 1.752 1.00 0.48 H new ATOM 0 HA VAL A 114 11.527 7.721 0.290 1.00 0.50 H new ATOM 0 HB VAL A 114 11.621 7.104 2.536 1.00 0.47 H new ATOM 0 HG11 VAL A 114 9.788 7.501 4.184 1.00 0.45 H new ATOM 0 HG12 VAL A 114 10.642 8.990 3.714 1.00 0.45 H new ATOM 0 HG13 VAL A 114 9.038 8.631 3.032 1.00 0.45 H new ATOM 0 HG21 VAL A 114 9.576 5.647 2.720 1.00 0.51 H new ATOM 0 HG22 VAL A 114 8.826 6.593 1.412 1.00 0.51 H new ATOM 0 HG23 VAL A 114 10.290 5.634 1.090 1.00 0.51 H new ATOM 1718 N THR A 115 9.411 8.271 -0.900 1.00 0.55 N ATOM 1719 CA THR A 115 8.107 8.459 -1.502 1.00 0.58 C ATOM 1720 C THR A 115 7.191 7.430 -0.851 1.00 0.56 C ATOM 1721 O THR A 115 7.610 6.292 -0.671 1.00 0.66 O ATOM 1722 CB THR A 115 8.200 8.235 -3.011 1.00 0.64 C ATOM 1723 OG1 THR A 115 9.316 8.914 -3.549 1.00 0.77 O ATOM 1724 CG2 THR A 115 6.931 8.702 -3.720 1.00 0.79 C ATOM 0 H THR A 115 10.052 7.690 -1.440 1.00 0.55 H new ATOM 0 HA THR A 115 7.725 9.468 -1.349 1.00 0.58 H new ATOM 0 HB THR A 115 8.317 7.164 -3.174 1.00 0.64 H new ATOM 0 HG1 THR A 115 9.360 8.757 -4.515 1.00 0.77 H new ATOM 0 HG21 THR A 115 7.028 8.529 -4.792 1.00 0.79 H new ATOM 0 HG22 THR A 115 6.075 8.145 -3.339 1.00 0.79 H new ATOM 0 HG23 THR A 115 6.782 9.766 -3.536 1.00 0.79 H new ATOM 1732 N VAL A 116 5.968 7.814 -0.493 1.00 0.58 N ATOM 1733 CA VAL A 116 4.945 6.911 -0.001 1.00 0.60 C ATOM 1734 C VAL A 116 3.811 6.925 -1.025 1.00 0.72 C ATOM 1735 O VAL A 116 3.175 7.956 -1.241 1.00 0.77 O ATOM 1736 CB VAL A 116 4.529 7.299 1.432 1.00 0.63 C ATOM 1737 CG1 VAL A 116 3.821 8.654 1.541 1.00 0.77 C ATOM 1738 CG2 VAL A 116 3.630 6.216 2.028 1.00 0.73 C ATOM 0 H VAL A 116 5.659 8.785 -0.540 1.00 0.58 H new ATOM 0 HA VAL A 116 5.301 5.885 0.092 1.00 0.60 H new ATOM 0 HB VAL A 116 5.460 7.390 1.991 1.00 0.63 H new ATOM 0 HG11 VAL A 116 3.564 8.847 2.582 1.00 0.77 H new ATOM 0 HG12 VAL A 116 4.483 9.441 1.179 1.00 0.77 H new ATOM 0 HG13 VAL A 116 2.912 8.639 0.940 1.00 0.77 H new ATOM 0 HG21 VAL A 116 3.341 6.499 3.040 1.00 0.73 H new ATOM 0 HG22 VAL A 116 2.737 6.106 1.413 1.00 0.73 H new ATOM 0 HG23 VAL A 116 4.170 5.270 2.056 1.00 0.73 H new ATOM 1748 N GLU A 117 3.593 5.792 -1.692 1.00 0.82 N ATOM 1749 CA GLU A 117 2.456 5.585 -2.566 1.00 0.84 C ATOM 1750 C GLU A 117 1.435 4.823 -1.745 1.00 0.83 C ATOM 1751 O GLU A 117 1.565 3.608 -1.587 1.00 0.80 O ATOM 1752 CB GLU A 117 2.873 4.756 -3.786 1.00 0.86 C ATOM 1753 CG GLU A 117 2.960 5.595 -5.056 1.00 1.10 C ATOM 1754 CD GLU A 117 3.142 4.752 -6.311 1.00 1.91 C ATOM 1755 OE1 GLU A 117 3.235 3.513 -6.178 1.00 2.48 O ATOM 1756 OE2 GLU A 117 3.164 5.379 -7.394 1.00 2.86 O ATOM 0 H GLU A 117 4.215 4.985 -1.634 1.00 0.82 H new ATOM 0 HA GLU A 117 2.054 6.530 -2.932 1.00 0.84 H new ATOM 0 HB2 GLU A 117 3.840 4.292 -3.593 1.00 0.86 H new ATOM 0 HB3 GLU A 117 2.156 3.949 -3.936 1.00 0.86 H new ATOM 0 HG2 GLU A 117 2.053 6.192 -5.154 1.00 1.10 H new ATOM 0 HG3 GLU A 117 3.793 6.292 -4.969 1.00 1.10 H new ATOM 1763 N TYR A 118 0.443 5.523 -1.201 1.00 0.89 N ATOM 1764 CA TYR A 118 -0.509 4.912 -0.292 1.00 0.89 C ATOM 1765 C TYR A 118 -1.878 5.548 -0.423 1.00 0.96 C ATOM 1766 O TYR A 118 -2.046 6.528 -1.145 1.00 1.12 O ATOM 1767 CB TYR A 118 -0.008 4.996 1.153 1.00 0.85 C ATOM 1768 CG TYR A 118 -0.292 6.295 1.881 1.00 0.84 C ATOM 1769 CD1 TYR A 118 0.167 7.526 1.376 1.00 2.19 C ATOM 1770 CD2 TYR A 118 -1.068 6.268 3.054 1.00 1.39 C ATOM 1771 CE1 TYR A 118 -0.112 8.717 2.067 1.00 2.18 C ATOM 1772 CE2 TYR A 118 -1.335 7.457 3.746 1.00 1.40 C ATOM 1773 CZ TYR A 118 -0.851 8.683 3.264 1.00 0.85 C ATOM 1774 OH TYR A 118 -1.099 9.815 3.979 1.00 0.88 O ATOM 0 H TYR A 118 0.282 6.515 -1.377 1.00 0.89 H new ATOM 0 HA TYR A 118 -0.602 3.860 -0.563 1.00 0.89 H new ATOM 0 HB2 TYR A 118 -0.456 4.180 1.720 1.00 0.85 H new ATOM 0 HB3 TYR A 118 1.069 4.831 1.153 1.00 0.85 H new ATOM 0 HD1 TYR A 118 0.734 7.555 0.457 1.00 2.19 H new ATOM 0 HD2 TYR A 118 -1.458 5.330 3.421 1.00 1.39 H new ATOM 0 HE1 TYR A 118 0.241 9.661 1.679 1.00 2.18 H new ATOM 0 HE2 TYR A 118 -1.917 7.430 4.656 1.00 1.40 H new ATOM 0 HH TYR A 118 -1.947 9.719 4.460 1.00 0.88 H new ATOM 1784 N ASN A 119 -2.850 4.929 0.243 1.00 0.89 N ATOM 1785 CA ASN A 119 -4.252 5.280 0.164 1.00 0.90 C ATOM 1786 C ASN A 119 -4.612 6.118 1.389 1.00 0.85 C ATOM 1787 O ASN A 119 -4.832 5.551 2.461 1.00 0.88 O ATOM 1788 CB ASN A 119 -5.058 3.980 0.072 1.00 1.04 C ATOM 1789 CG ASN A 119 -6.507 4.236 -0.318 1.00 1.15 C ATOM 1790 OD1 ASN A 119 -7.248 4.873 0.428 1.00 1.31 O ATOM 1791 ND2 ASN A 119 -6.908 3.714 -1.479 1.00 2.32 N ATOM 0 H ASN A 119 -2.670 4.145 0.871 1.00 0.89 H new ATOM 0 HA ASN A 119 -4.481 5.880 -0.717 1.00 0.90 H new ATOM 0 HB2 ASN A 119 -4.597 3.318 -0.661 1.00 1.04 H new ATOM 0 HB3 ASN A 119 -5.026 3.465 1.032 1.00 1.04 H new ATOM 0 HD21 ASN A 119 -7.873 3.835 -1.786 1.00 2.32 H new ATOM 0 HD22 ASN A 119 -6.249 3.194 -2.059 1.00 2.32 H new ATOM 1798 N PRO A 120 -4.683 7.457 1.272 1.00 0.83 N ATOM 1799 CA PRO A 120 -4.847 8.339 2.418 1.00 0.80 C ATOM 1800 C PRO A 120 -6.283 8.330 2.960 1.00 0.87 C ATOM 1801 O PRO A 120 -6.647 9.219 3.727 1.00 0.87 O ATOM 1802 CB PRO A 120 -4.442 9.726 1.906 1.00 0.79 C ATOM 1803 CG PRO A 120 -4.891 9.684 0.448 1.00 0.89 C ATOM 1804 CD PRO A 120 -4.557 8.246 0.053 1.00 0.89 C ATOM 0 HA PRO A 120 -4.234 8.018 3.260 1.00 0.80 H new ATOM 0 HB2 PRO A 120 -4.937 10.524 2.460 1.00 0.79 H new ATOM 0 HB3 PRO A 120 -3.369 9.894 1.995 1.00 0.79 H new ATOM 0 HG2 PRO A 120 -5.954 9.899 0.342 1.00 0.89 H new ATOM 0 HG3 PRO A 120 -4.356 10.410 -0.165 1.00 0.89 H new ATOM 0 HD2 PRO A 120 -5.237 7.885 -0.718 1.00 0.89 H new ATOM 0 HD3 PRO A 120 -3.548 8.177 -0.354 1.00 0.89 H new ATOM 1812 N LYS A 121 -7.116 7.363 2.553 1.00 0.99 N ATOM 1813 CA LYS A 121 -8.410 7.133 3.175 1.00 1.04 C ATOM 1814 C LYS A 121 -8.263 6.022 4.211 1.00 1.03 C ATOM 1815 O LYS A 121 -8.669 6.180 5.359 1.00 1.07 O ATOM 1816 CB LYS A 121 -9.454 6.765 2.115 1.00 1.09 C ATOM 1817 CG LYS A 121 -9.461 7.705 0.903 1.00 2.11 C ATOM 1818 CD LYS A 121 -9.644 9.169 1.336 1.00 3.27 C ATOM 1819 CE LYS A 121 -9.952 10.094 0.151 1.00 4.64 C ATOM 1820 NZ LYS A 121 -11.300 9.853 -0.405 1.00 5.21 N ATOM 0 H LYS A 121 -6.905 6.725 1.786 1.00 0.99 H new ATOM 0 HA LYS A 121 -8.752 8.042 3.670 1.00 1.04 H new ATOM 0 HB2 LYS A 121 -9.268 5.747 1.773 1.00 1.09 H new ATOM 0 HB3 LYS A 121 -10.443 6.771 2.574 1.00 1.09 H new ATOM 0 HG2 LYS A 121 -8.526 7.600 0.353 1.00 2.11 H new ATOM 0 HG3 LYS A 121 -10.265 7.421 0.224 1.00 2.11 H new ATOM 0 HD2 LYS A 121 -10.454 9.232 2.063 1.00 3.27 H new ATOM 0 HD3 LYS A 121 -8.739 9.513 1.837 1.00 3.27 H new ATOM 0 HE2 LYS A 121 -9.873 11.133 0.472 1.00 4.64 H new ATOM 0 HE3 LYS A 121 -9.206 9.944 -0.629 1.00 4.64 H new ATOM 0 HZ1 LYS A 121 -11.548 10.622 -1.060 1.00 5.21 H new ATOM 0 HZ2 LYS A 121 -11.308 8.947 -0.915 1.00 5.21 H new ATOM 0 HZ3 LYS A 121 -11.994 9.821 0.369 1.00 5.21 H new ATOM 1834 N GLU A 122 -7.683 4.895 3.787 1.00 1.05 N ATOM 1835 CA GLU A 122 -7.570 3.707 4.615 1.00 1.08 C ATOM 1836 C GLU A 122 -6.599 3.936 5.782 1.00 1.03 C ATOM 1837 O GLU A 122 -6.871 3.512 6.901 1.00 1.13 O ATOM 1838 CB GLU A 122 -7.152 2.514 3.740 1.00 1.15 C ATOM 1839 CG GLU A 122 -7.904 1.233 4.139 1.00 0.75 C ATOM 1840 CD GLU A 122 -9.304 1.175 3.537 1.00 1.79 C ATOM 1841 OE1 GLU A 122 -9.396 1.388 2.312 1.00 3.02 O ATOM 1842 OE2 GLU A 122 -10.260 0.878 4.285 1.00 2.54 O ATOM 0 H GLU A 122 -7.280 4.788 2.856 1.00 1.05 H new ATOM 0 HA GLU A 122 -8.540 3.483 5.060 1.00 1.08 H new ATOM 0 HB2 GLU A 122 -7.350 2.742 2.693 1.00 1.15 H new ATOM 0 HB3 GLU A 122 -6.078 2.351 3.833 1.00 1.15 H new ATOM 0 HG2 GLU A 122 -7.334 0.363 3.813 1.00 0.75 H new ATOM 0 HG3 GLU A 122 -7.975 1.179 5.225 1.00 0.75 H new ATOM 1849 N ALA A 123 -5.461 4.592 5.515 1.00 0.93 N ATOM 1850 CA ALA A 123 -4.452 4.930 6.518 1.00 0.91 C ATOM 1851 C ALA A 123 -4.099 6.412 6.384 1.00 0.85 C ATOM 1852 O ALA A 123 -4.664 7.098 5.533 1.00 0.87 O ATOM 1853 CB ALA A 123 -3.222 4.039 6.322 1.00 0.94 C ATOM 0 H ALA A 123 -5.215 4.907 4.576 1.00 0.93 H new ATOM 0 HA ALA A 123 -4.836 4.756 7.523 1.00 0.91 H new ATOM 0 HB1 ALA A 123 -2.469 4.289 7.069 1.00 0.94 H new ATOM 0 HB2 ALA A 123 -3.509 2.993 6.433 1.00 0.94 H new ATOM 0 HB3 ALA A 123 -2.812 4.199 5.325 1.00 0.94 H new ATOM 1859 N SER A 124 -3.174 6.926 7.204 1.00 0.83 N ATOM 1860 CA SER A 124 -2.846 8.349 7.174 1.00 0.77 C ATOM 1861 C SER A 124 -1.439 8.620 7.706 1.00 0.71 C ATOM 1862 O SER A 124 -0.824 7.770 8.348 1.00 0.70 O ATOM 1863 CB SER A 124 -3.891 9.119 7.990 1.00 0.83 C ATOM 1864 OG SER A 124 -3.860 8.696 9.341 1.00 1.90 O ATOM 0 H SER A 124 -2.647 6.382 7.887 1.00 0.83 H new ATOM 0 HA SER A 124 -2.863 8.688 6.138 1.00 0.77 H new ATOM 0 HB2 SER A 124 -3.694 10.189 7.931 1.00 0.83 H new ATOM 0 HB3 SER A 124 -4.884 8.955 7.572 1.00 0.83 H new ATOM 0 HG SER A 124 -4.529 9.194 9.855 1.00 1.90 H new ATOM 1870 N VAL A 125 -0.939 9.839 7.499 1.00 0.68 N ATOM 1871 CA VAL A 125 0.255 10.340 8.127 1.00 0.56 C ATOM 1872 C VAL A 125 0.350 10.015 9.619 1.00 0.58 C ATOM 1873 O VAL A 125 1.441 9.727 10.095 1.00 0.51 O ATOM 1874 CB VAL A 125 0.334 11.846 7.881 1.00 0.68 C ATOM 1875 CG1 VAL A 125 0.674 12.124 6.418 1.00 2.23 C ATOM 1876 CG2 VAL A 125 -0.915 12.644 8.284 1.00 1.68 C ATOM 0 H VAL A 125 -1.375 10.513 6.870 1.00 0.68 H new ATOM 0 HA VAL A 125 1.108 9.833 7.677 1.00 0.56 H new ATOM 0 HB VAL A 125 1.127 12.197 8.541 1.00 0.68 H new ATOM 0 HG11 VAL A 125 0.727 13.200 6.255 1.00 2.23 H new ATOM 0 HG12 VAL A 125 1.636 11.672 6.176 1.00 2.23 H new ATOM 0 HG13 VAL A 125 -0.098 11.698 5.778 1.00 2.23 H new ATOM 0 HG21 VAL A 125 -0.757 13.701 8.069 1.00 1.68 H new ATOM 0 HG22 VAL A 125 -1.775 12.284 7.719 1.00 1.68 H new ATOM 0 HG23 VAL A 125 -1.101 12.515 9.350 1.00 1.68 H new ATOM 1886 N SER A 126 -0.757 10.054 10.364 1.00 0.77 N ATOM 1887 CA SER A 126 -0.773 9.683 11.772 1.00 0.86 C ATOM 1888 C SER A 126 -0.234 8.264 11.978 1.00 0.74 C ATOM 1889 O SER A 126 0.571 8.016 12.874 1.00 0.76 O ATOM 1890 CB SER A 126 -2.212 9.805 12.280 1.00 1.10 C ATOM 1891 OG SER A 126 -2.706 11.091 11.950 1.00 1.20 O ATOM 0 H SER A 126 -1.666 10.345 10.003 1.00 0.77 H new ATOM 0 HA SER A 126 -0.122 10.351 12.337 1.00 0.86 H new ATOM 0 HB2 SER A 126 -2.837 9.034 11.830 1.00 1.10 H new ATOM 0 HB3 SER A 126 -2.245 9.653 13.359 1.00 1.10 H new ATOM 0 HG SER A 126 -3.628 11.179 12.270 1.00 1.20 H new ATOM 1897 N ASP A 127 -0.665 7.344 11.118 1.00 0.69 N ATOM 1898 CA ASP A 127 -0.311 5.932 11.189 1.00 0.67 C ATOM 1899 C ASP A 127 1.160 5.769 10.825 1.00 0.64 C ATOM 1900 O ASP A 127 1.919 5.075 11.500 1.00 0.68 O ATOM 1901 CB ASP A 127 -1.222 5.146 10.229 1.00 0.70 C ATOM 1902 CG ASP A 127 -2.558 4.820 10.868 1.00 2.38 C ATOM 1903 OD1 ASP A 127 -2.545 4.044 11.847 1.00 2.95 O ATOM 1904 OD2 ASP A 127 -3.557 5.382 10.364 1.00 3.94 O ATOM 0 H ASP A 127 -1.283 7.566 10.337 1.00 0.69 H new ATOM 0 HA ASP A 127 -0.455 5.543 12.197 1.00 0.67 H new ATOM 0 HB2 ASP A 127 -1.384 5.728 9.322 1.00 0.70 H new ATOM 0 HB3 ASP A 127 -0.726 4.223 9.930 1.00 0.70 H new ATOM 1909 N LEU A 128 1.574 6.448 9.758 1.00 0.60 N ATOM 1910 CA LEU A 128 2.944 6.397 9.269 1.00 0.57 C ATOM 1911 C LEU A 128 3.896 6.971 10.314 1.00 0.56 C ATOM 1912 O LEU A 128 4.935 6.379 10.605 1.00 0.53 O ATOM 1913 CB LEU A 128 3.060 7.140 7.939 1.00 0.63 C ATOM 1914 CG LEU A 128 2.171 6.524 6.849 1.00 0.72 C ATOM 1915 CD1 LEU A 128 2.356 7.338 5.571 1.00 0.87 C ATOM 1916 CD2 LEU A 128 2.517 5.053 6.582 1.00 0.85 C ATOM 0 H LEU A 128 0.963 7.051 9.207 1.00 0.60 H new ATOM 0 HA LEU A 128 3.223 5.358 9.095 1.00 0.57 H new ATOM 0 HB2 LEU A 128 2.783 8.184 8.083 1.00 0.63 H new ATOM 0 HB3 LEU A 128 4.098 7.128 7.608 1.00 0.63 H new ATOM 0 HG LEU A 128 1.135 6.551 7.186 1.00 0.72 H new ATOM 0 HD11 LEU A 128 1.734 6.920 4.780 1.00 0.87 H new ATOM 0 HD12 LEU A 128 2.065 8.372 5.753 1.00 0.87 H new ATOM 0 HD13 LEU A 128 3.402 7.304 5.266 1.00 0.87 H new ATOM 0 HD21 LEU A 128 1.862 4.661 5.804 1.00 0.85 H new ATOM 0 HD22 LEU A 128 3.554 4.977 6.256 1.00 0.85 H new ATOM 0 HD23 LEU A 128 2.381 4.475 7.496 1.00 0.85 H new ATOM 1928 N LYS A 129 3.527 8.114 10.897 1.00 0.62 N ATOM 1929 CA LYS A 129 4.205 8.681 12.046 1.00 0.68 C ATOM 1930 C LYS A 129 4.319 7.607 13.114 1.00 0.70 C ATOM 1931 O LYS A 129 5.437 7.217 13.427 1.00 0.77 O ATOM 1932 CB LYS A 129 3.465 9.927 12.557 1.00 0.84 C ATOM 1933 CG LYS A 129 3.718 11.138 11.648 1.00 0.80 C ATOM 1934 CD LYS A 129 4.713 12.166 12.215 1.00 0.63 C ATOM 1935 CE LYS A 129 6.120 11.626 12.531 1.00 2.69 C ATOM 1936 NZ LYS A 129 6.252 11.105 13.911 1.00 3.57 N ATOM 0 H LYS A 129 2.737 8.673 10.574 1.00 0.62 H new ATOM 0 HA LYS A 129 5.206 9.010 11.768 1.00 0.68 H new ATOM 0 HB2 LYS A 129 2.395 9.723 12.605 1.00 0.84 H new ATOM 0 HB3 LYS A 129 3.792 10.156 13.571 1.00 0.84 H new ATOM 0 HG2 LYS A 129 4.090 10.783 10.687 1.00 0.80 H new ATOM 0 HG3 LYS A 129 2.768 11.638 11.457 1.00 0.80 H new ATOM 0 HD2 LYS A 129 4.809 12.984 11.501 1.00 0.63 H new ATOM 0 HD3 LYS A 129 4.292 12.588 13.128 1.00 0.63 H new ATOM 0 HE2 LYS A 129 6.363 10.832 11.825 1.00 2.69 H new ATOM 0 HE3 LYS A 129 6.849 12.422 12.379 1.00 2.69 H new ATOM 0 HZ1 LYS A 129 7.216 10.742 14.054 1.00 3.57 H new ATOM 0 HZ2 LYS A 129 6.066 11.870 14.590 1.00 3.57 H new ATOM 0 HZ3 LYS A 129 5.567 10.337 14.059 1.00 3.57 H new ATOM 1950 N GLU A 130 3.195 7.086 13.615 1.00 0.69 N ATOM 1951 CA GLU A 130 3.233 6.096 14.687 1.00 0.70 C ATOM 1952 C GLU A 130 4.182 4.939 14.357 1.00 0.63 C ATOM 1953 O GLU A 130 4.981 4.530 15.201 1.00 0.68 O ATOM 1954 CB GLU A 130 1.820 5.587 15.014 1.00 0.74 C ATOM 1955 CG GLU A 130 1.146 6.416 16.123 1.00 1.46 C ATOM 1956 CD GLU A 130 0.430 5.534 17.135 1.00 2.32 C ATOM 1957 OE1 GLU A 130 1.121 4.637 17.674 1.00 2.37 O ATOM 1958 OE2 GLU A 130 -0.772 5.763 17.372 1.00 3.64 O ATOM 0 H GLU A 130 2.258 7.332 13.297 1.00 0.69 H new ATOM 0 HA GLU A 130 3.626 6.588 15.576 1.00 0.70 H new ATOM 0 HB2 GLU A 130 1.206 5.620 14.114 1.00 0.74 H new ATOM 0 HB3 GLU A 130 1.874 4.544 15.325 1.00 0.74 H new ATOM 0 HG2 GLU A 130 1.897 7.018 16.634 1.00 1.46 H new ATOM 0 HG3 GLU A 130 0.433 7.108 15.676 1.00 1.46 H new ATOM 1965 N ALA A 131 4.116 4.420 13.130 1.00 0.57 N ATOM 1966 CA ALA A 131 4.987 3.348 12.683 1.00 0.50 C ATOM 1967 C ALA A 131 6.456 3.770 12.771 1.00 0.49 C ATOM 1968 O ALA A 131 7.268 3.078 13.384 1.00 0.54 O ATOM 1969 CB ALA A 131 4.609 2.926 11.261 1.00 0.50 C ATOM 0 H ALA A 131 3.454 4.736 12.422 1.00 0.57 H new ATOM 0 HA ALA A 131 4.856 2.488 13.340 1.00 0.50 H new ATOM 0 HB1 ALA A 131 5.267 2.121 10.933 1.00 0.50 H new ATOM 0 HB2 ALA A 131 3.576 2.578 11.247 1.00 0.50 H new ATOM 0 HB3 ALA A 131 4.714 3.777 10.589 1.00 0.50 H new ATOM 1975 N VAL A 132 6.819 4.899 12.158 1.00 0.49 N ATOM 1976 CA VAL A 132 8.207 5.323 12.109 1.00 0.52 C ATOM 1977 C VAL A 132 8.723 5.657 13.508 1.00 0.58 C ATOM 1978 O VAL A 132 9.877 5.376 13.842 1.00 0.61 O ATOM 1979 CB VAL A 132 8.362 6.475 11.111 1.00 0.58 C ATOM 1980 CG1 VAL A 132 9.737 7.123 11.295 1.00 1.18 C ATOM 1981 CG2 VAL A 132 8.207 5.904 9.695 1.00 1.51 C ATOM 0 H VAL A 132 6.167 5.530 11.692 1.00 0.49 H new ATOM 0 HA VAL A 132 8.831 4.504 11.750 1.00 0.52 H new ATOM 0 HB VAL A 132 7.603 7.240 11.276 1.00 0.58 H new ATOM 0 HG11 VAL A 132 9.850 7.943 10.586 1.00 1.18 H new ATOM 0 HG12 VAL A 132 9.825 7.507 12.311 1.00 1.18 H new ATOM 0 HG13 VAL A 132 10.516 6.381 11.119 1.00 1.18 H new ATOM 0 HG21 VAL A 132 8.314 6.707 8.965 1.00 1.51 H new ATOM 0 HG22 VAL A 132 8.975 5.151 9.520 1.00 1.51 H new ATOM 0 HG23 VAL A 132 7.222 5.449 9.592 1.00 1.51 H new ATOM 1991 N ASP A 133 7.851 6.234 14.329 1.00 0.64 N ATOM 1992 CA ASP A 133 8.154 6.576 15.690 1.00 0.79 C ATOM 1993 C ASP A 133 8.448 5.276 16.449 1.00 0.88 C ATOM 1994 O ASP A 133 9.482 5.167 17.105 1.00 0.95 O ATOM 1995 CB ASP A 133 6.994 7.401 16.263 1.00 0.96 C ATOM 1996 CG ASP A 133 6.777 8.742 15.557 1.00 2.32 C ATOM 1997 OD1 ASP A 133 7.744 9.341 15.030 1.00 2.57 O ATOM 1998 OD2 ASP A 133 5.618 9.211 15.495 1.00 3.76 O ATOM 0 H ASP A 133 6.900 6.476 14.050 1.00 0.64 H new ATOM 0 HA ASP A 133 9.041 7.203 15.781 1.00 0.79 H new ATOM 0 HB2 ASP A 133 6.077 6.815 16.198 1.00 0.96 H new ATOM 0 HB3 ASP A 133 7.180 7.585 17.321 1.00 0.96 H new ATOM 2003 N LYS A 134 7.603 4.247 16.285 1.00 0.90 N ATOM 2004 CA LYS A 134 7.886 2.899 16.781 1.00 0.97 C ATOM 2005 C LYS A 134 9.252 2.391 16.294 1.00 0.96 C ATOM 2006 O LYS A 134 10.023 1.845 17.081 1.00 1.17 O ATOM 2007 CB LYS A 134 6.776 1.902 16.387 1.00 0.91 C ATOM 2008 CG LYS A 134 5.967 1.390 17.588 1.00 1.10 C ATOM 2009 CD LYS A 134 4.875 2.370 18.054 1.00 1.95 C ATOM 2010 CE LYS A 134 3.481 1.768 17.801 1.00 2.38 C ATOM 2011 NZ LYS A 134 2.388 2.583 18.371 1.00 3.12 N ATOM 0 H LYS A 134 6.707 4.329 15.805 1.00 0.90 H new ATOM 0 HA LYS A 134 7.914 2.966 17.869 1.00 0.97 H new ATOM 0 HB2 LYS A 134 6.100 2.382 15.680 1.00 0.91 H new ATOM 0 HB3 LYS A 134 7.225 1.053 15.872 1.00 0.91 H new ATOM 0 HG2 LYS A 134 5.503 0.439 17.325 1.00 1.10 H new ATOM 0 HG3 LYS A 134 6.647 1.194 18.417 1.00 1.10 H new ATOM 0 HD2 LYS A 134 4.999 2.587 19.115 1.00 1.95 H new ATOM 0 HD3 LYS A 134 4.973 3.316 17.522 1.00 1.95 H new ATOM 0 HE2 LYS A 134 3.326 1.663 16.727 1.00 2.38 H new ATOM 0 HE3 LYS A 134 3.441 0.766 18.229 1.00 2.38 H new ATOM 0 HZ1 LYS A 134 1.546 1.988 18.509 1.00 3.12 H new ATOM 0 HZ2 LYS A 134 2.688 2.975 19.286 1.00 3.12 H new ATOM 0 HZ3 LYS A 134 2.159 3.361 17.720 1.00 3.12 H new ATOM 2025 N LEU A 135 9.557 2.555 15.002 1.00 0.82 N ATOM 2026 CA LEU A 135 10.856 2.188 14.425 1.00 0.80 C ATOM 2027 C LEU A 135 12.021 2.981 15.042 1.00 0.79 C ATOM 2028 O LEU A 135 13.175 2.625 14.809 1.00 0.84 O ATOM 2029 CB LEU A 135 10.840 2.375 12.894 1.00 0.79 C ATOM 2030 CG LEU A 135 10.412 1.168 12.042 1.00 0.72 C ATOM 2031 CD1 LEU A 135 11.538 0.139 11.907 1.00 0.59 C ATOM 2032 CD2 LEU A 135 9.139 0.480 12.552 1.00 0.89 C ATOM 0 H LEU A 135 8.906 2.949 14.323 1.00 0.82 H new ATOM 0 HA LEU A 135 11.020 1.136 14.660 1.00 0.80 H new ATOM 0 HB2 LEU A 135 10.173 3.205 12.662 1.00 0.79 H new ATOM 0 HB3 LEU A 135 11.840 2.672 12.580 1.00 0.79 H new ATOM 0 HG LEU A 135 10.186 1.581 11.059 1.00 0.72 H new ATOM 0 HD11 LEU A 135 11.195 -0.698 11.298 1.00 0.59 H new ATOM 0 HD12 LEU A 135 12.401 0.604 11.431 1.00 0.59 H new ATOM 0 HD13 LEU A 135 11.820 -0.223 12.896 1.00 0.59 H new ATOM 0 HD21 LEU A 135 8.896 -0.362 11.904 1.00 0.89 H new ATOM 0 HD22 LEU A 135 9.302 0.121 13.568 1.00 0.89 H new ATOM 0 HD23 LEU A 135 8.314 1.192 12.547 1.00 0.89 H new ATOM 2044 N GLY A 136 11.752 4.042 15.807 1.00 0.82 N ATOM 2045 CA GLY A 136 12.784 4.824 16.464 1.00 0.75 C ATOM 2046 C GLY A 136 13.527 5.718 15.475 1.00 0.64 C ATOM 2047 O GLY A 136 14.685 6.062 15.709 1.00 0.73 O ATOM 0 H GLY A 136 10.806 4.378 15.984 1.00 0.82 H new ATOM 0 HA2 GLY A 136 12.334 5.438 17.244 1.00 0.75 H new ATOM 0 HA3 GLY A 136 13.492 4.155 16.953 1.00 0.75 H new ATOM 2051 N TYR A 137 12.856 6.124 14.394 1.00 0.58 N ATOM 2052 CA TYR A 137 13.300 7.202 13.516 1.00 0.61 C ATOM 2053 C TYR A 137 12.192 8.255 13.560 1.00 0.61 C ATOM 2054 O TYR A 137 11.258 8.103 14.343 1.00 0.67 O ATOM 2055 CB TYR A 137 13.565 6.655 12.102 1.00 0.66 C ATOM 2056 CG TYR A 137 14.359 5.361 12.057 1.00 0.73 C ATOM 2057 CD1 TYR A 137 15.526 5.214 12.831 1.00 1.56 C ATOM 2058 CD2 TYR A 137 13.862 4.257 11.340 1.00 2.11 C ATOM 2059 CE1 TYR A 137 16.094 3.942 13.010 1.00 1.59 C ATOM 2060 CE2 TYR A 137 14.490 3.005 11.443 1.00 2.20 C ATOM 2061 CZ TYR A 137 15.568 2.833 12.327 1.00 0.99 C ATOM 2062 OH TYR A 137 16.145 1.607 12.467 1.00 1.16 O ATOM 0 H TYR A 137 11.974 5.703 14.102 1.00 0.58 H new ATOM 0 HA TYR A 137 14.243 7.648 13.833 1.00 0.61 H new ATOM 0 HB2 TYR A 137 12.608 6.495 11.605 1.00 0.66 H new ATOM 0 HB3 TYR A 137 14.099 7.413 11.529 1.00 0.66 H new ATOM 0 HD1 TYR A 137 15.984 6.079 13.287 1.00 1.56 H new ATOM 0 HD2 TYR A 137 12.994 4.373 10.708 1.00 2.11 H new ATOM 0 HE1 TYR A 137 16.937 3.816 13.674 1.00 1.59 H new ATOM 0 HE2 TYR A 137 14.145 2.176 10.843 1.00 2.20 H new ATOM 0 HH TYR A 137 15.656 0.952 11.927 1.00 1.16 H new ATOM 2072 N LYS A 138 12.253 9.317 12.747 1.00 0.64 N ATOM 2073 CA LYS A 138 11.179 10.293 12.721 1.00 0.68 C ATOM 2074 C LYS A 138 10.976 10.756 11.279 1.00 0.59 C ATOM 2075 O LYS A 138 11.931 11.125 10.588 1.00 0.62 O ATOM 2076 CB LYS A 138 11.477 11.405 13.726 1.00 0.86 C ATOM 2077 CG LYS A 138 12.700 12.209 13.300 1.00 0.92 C ATOM 2078 CD LYS A 138 13.300 12.982 14.477 1.00 1.62 C ATOM 2079 CE LYS A 138 13.700 14.354 13.938 1.00 2.04 C ATOM 2080 NZ LYS A 138 14.536 15.183 14.818 1.00 2.80 N ATOM 0 H LYS A 138 13.026 9.513 12.111 1.00 0.64 H new ATOM 0 HA LYS A 138 10.227 9.868 13.039 1.00 0.68 H new ATOM 0 HB2 LYS A 138 10.614 12.065 13.810 1.00 0.86 H new ATOM 0 HB3 LYS A 138 11.646 10.973 14.713 1.00 0.86 H new ATOM 0 HG2 LYS A 138 13.451 11.538 12.883 1.00 0.92 H new ATOM 0 HG3 LYS A 138 12.421 12.906 12.510 1.00 0.92 H new ATOM 0 HD2 LYS A 138 12.576 13.079 15.286 1.00 1.62 H new ATOM 0 HD3 LYS A 138 14.165 12.458 14.884 1.00 1.62 H new ATOM 0 HE2 LYS A 138 14.232 14.210 12.998 1.00 2.04 H new ATOM 0 HE3 LYS A 138 12.791 14.909 13.708 1.00 2.04 H new ATOM 0 HZ1 LYS A 138 14.911 15.991 14.281 1.00 2.80 H new ATOM 0 HZ2 LYS A 138 13.964 15.532 15.613 1.00 2.80 H new ATOM 0 HZ3 LYS A 138 15.326 14.614 15.184 1.00 2.80 H new ATOM 2094 N LEU A 139 9.724 10.659 10.833 1.00 0.65 N ATOM 2095 CA LEU A 139 9.283 10.864 9.466 1.00 0.74 C ATOM 2096 C LEU A 139 8.752 12.293 9.356 1.00 0.79 C ATOM 2097 O LEU A 139 8.113 12.773 10.293 1.00 0.89 O ATOM 2098 CB LEU A 139 8.176 9.822 9.187 1.00 0.97 C ATOM 2099 CG LEU A 139 8.211 9.088 7.837 1.00 0.79 C ATOM 2100 CD1 LEU A 139 7.534 9.917 6.761 1.00 1.96 C ATOM 2101 CD2 LEU A 139 9.612 8.665 7.380 1.00 1.12 C ATOM 0 H LEU A 139 8.952 10.422 11.456 1.00 0.65 H new ATOM 0 HA LEU A 139 10.085 10.738 8.738 1.00 0.74 H new ATOM 0 HB2 LEU A 139 8.214 9.073 9.978 1.00 0.97 H new ATOM 0 HB3 LEU A 139 7.213 10.325 9.271 1.00 0.97 H new ATOM 0 HG LEU A 139 7.660 8.161 7.997 1.00 0.79 H new ATOM 0 HD11 LEU A 139 7.569 9.381 5.813 1.00 1.96 H new ATOM 0 HD12 LEU A 139 6.495 10.096 7.039 1.00 1.96 H new ATOM 0 HD13 LEU A 139 8.051 10.871 6.658 1.00 1.96 H new ATOM 0 HD21 LEU A 139 9.543 8.155 6.419 1.00 1.12 H new ATOM 0 HD22 LEU A 139 10.243 9.548 7.277 1.00 1.12 H new ATOM 0 HD23 LEU A 139 10.048 7.992 8.118 1.00 1.12 H new ATOM 2113 N LYS A 140 9.023 12.977 8.245 1.00 0.77 N ATOM 2114 CA LYS A 140 8.573 14.339 7.995 1.00 0.79 C ATOM 2115 C LYS A 140 8.034 14.435 6.572 1.00 0.63 C ATOM 2116 O LYS A 140 8.162 13.490 5.803 1.00 0.62 O ATOM 2117 CB LYS A 140 9.738 15.316 8.197 1.00 0.82 C ATOM 2118 CG LYS A 140 10.141 15.412 9.672 1.00 1.19 C ATOM 2119 CD LYS A 140 10.665 16.821 9.968 1.00 1.30 C ATOM 2120 CE LYS A 140 10.949 16.992 11.466 1.00 2.28 C ATOM 2121 NZ LYS A 140 11.757 18.200 11.722 1.00 2.60 N ATOM 0 H LYS A 140 9.574 12.588 7.479 1.00 0.77 H new ATOM 0 HA LYS A 140 7.779 14.600 8.694 1.00 0.79 H new ATOM 0 HB2 LYS A 140 10.594 14.991 7.605 1.00 0.82 H new ATOM 0 HB3 LYS A 140 9.454 16.303 7.831 1.00 0.82 H new ATOM 0 HG2 LYS A 140 9.285 15.190 10.309 1.00 1.19 H new ATOM 0 HG3 LYS A 140 10.908 14.672 9.899 1.00 1.19 H new ATOM 0 HD2 LYS A 140 11.576 17.003 9.397 1.00 1.30 H new ATOM 0 HD3 LYS A 140 9.933 17.562 9.645 1.00 1.30 H new ATOM 0 HE2 LYS A 140 10.008 17.059 12.012 1.00 2.28 H new ATOM 0 HE3 LYS A 140 11.474 16.114 11.842 1.00 2.28 H new ATOM 0 HZ1 LYS A 140 11.919 18.299 12.745 1.00 2.60 H new ATOM 0 HZ2 LYS A 140 12.671 18.116 11.233 1.00 2.60 H new ATOM 0 HZ3 LYS A 140 11.251 19.037 11.369 1.00 2.60 H new ATOM 2135 N LEU A 141 7.438 15.572 6.220 1.00 0.59 N ATOM 2136 CA LEU A 141 7.026 15.867 4.856 1.00 0.67 C ATOM 2137 C LEU A 141 8.127 16.662 4.158 1.00 0.86 C ATOM 2138 O LEU A 141 8.877 17.387 4.814 1.00 1.22 O ATOM 2139 CB LEU A 141 5.706 16.649 4.852 1.00 0.98 C ATOM 2140 CG LEU A 141 4.522 15.740 5.214 1.00 1.59 C ATOM 2141 CD1 LEU A 141 4.287 15.627 6.726 1.00 1.50 C ATOM 2142 CD2 LEU A 141 3.239 16.235 4.556 1.00 2.56 C ATOM 0 H LEU A 141 7.227 16.319 6.882 1.00 0.59 H new ATOM 0 HA LEU A 141 6.864 14.933 4.317 1.00 0.67 H new ATOM 0 HB2 LEU A 141 5.766 17.473 5.563 1.00 0.98 H new ATOM 0 HB3 LEU A 141 5.543 17.088 3.868 1.00 0.98 H new ATOM 0 HG LEU A 141 4.785 14.750 4.840 1.00 1.59 H new ATOM 0 HD11 LEU A 141 3.437 14.971 6.914 1.00 1.50 H new ATOM 0 HD12 LEU A 141 5.176 15.214 7.203 1.00 1.50 H new ATOM 0 HD13 LEU A 141 4.081 16.615 7.137 1.00 1.50 H new ATOM 0 HD21 LEU A 141 2.414 15.576 4.826 1.00 2.56 H new ATOM 0 HD22 LEU A 141 3.022 17.247 4.898 1.00 2.56 H new ATOM 0 HD23 LEU A 141 3.363 16.236 3.473 1.00 2.56 H new ATOM 2154 N LYS A 142 8.198 16.579 2.826 1.00 0.87 N ATOM 2155 CA LYS A 142 9.140 17.399 2.080 1.00 1.22 C ATOM 2156 C LYS A 142 8.539 18.795 1.940 1.00 1.70 C ATOM 2157 O LYS A 142 7.811 19.095 0.995 1.00 1.84 O ATOM 2158 CB LYS A 142 9.446 16.785 0.712 1.00 1.10 C ATOM 2159 CG LYS A 142 10.295 15.520 0.868 1.00 1.16 C ATOM 2160 CD LYS A 142 10.777 15.030 -0.497 1.00 1.53 C ATOM 2161 CE LYS A 142 12.067 15.687 -0.988 1.00 2.21 C ATOM 2162 NZ LYS A 142 12.521 15.014 -2.222 1.00 3.27 N ATOM 0 H LYS A 142 7.622 15.961 2.255 1.00 0.87 H new ATOM 0 HA LYS A 142 10.089 17.456 2.613 1.00 1.22 H new ATOM 0 HB2 LYS A 142 8.515 16.544 0.199 1.00 1.10 H new ATOM 0 HB3 LYS A 142 9.974 17.510 0.092 1.00 1.10 H new ATOM 0 HG2 LYS A 142 11.151 15.726 1.511 1.00 1.16 H new ATOM 0 HG3 LYS A 142 9.711 14.740 1.356 1.00 1.16 H new ATOM 0 HD2 LYS A 142 10.929 13.952 -0.449 1.00 1.53 H new ATOM 0 HD3 LYS A 142 9.991 15.209 -1.231 1.00 1.53 H new ATOM 0 HE2 LYS A 142 11.898 16.747 -1.179 1.00 2.21 H new ATOM 0 HE3 LYS A 142 12.837 15.620 -0.220 1.00 2.21 H new ATOM 0 HZ1 LYS A 142 13.302 14.365 -1.996 1.00 3.27 H new ATOM 0 HZ2 LYS A 142 11.732 14.476 -2.635 1.00 3.27 H new ATOM 0 HZ3 LYS A 142 12.849 15.726 -2.905 1.00 3.27 H new