USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 Single : A 81 HIS : no HE2:sc= -2.61! C(o=-2.6!,f=-7.9!) USER MOD Single : A 85 SER OG : rot -101:sc= -0.478 USER MOD Single : A 87 MET CE :methyl 140:sc= -2.23 (180deg=-7!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -15:sc= -0.327 USER MOD Single : A 94 THR OG1 : rot 42:sc= 0.0891 USER MOD Single : A 96 SER OG : rot 180:sc= -1.66! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.84! C(o=-1.8!,f=-4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 116 CYS SG : rot 130:sc= -2.12! USER MOD Single : A 121 MET CE :methyl -107:sc=-0.00394 (180deg=-2.11!) USER MOD Single : A 122 LYS NZ :NH3+ -142:sc= -0.443 (180deg=-1.66!) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 GLN : amide:sc= 1.1 K(o=1.1,f=-0.016) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc=-0.00657 USER MOD Single : A 136 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0995) USER MOD Single : A 142 SER OG : rot -80:sc= -1.2! USER MOD Single : A 144 GLN : amide:sc= -5.71! C(o=-5.7!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -8.688 10.902 -3.331 1.00 0.00 N ATOM 67 CA GLY A 80 -9.518 9.935 -2.638 1.00 0.00 C ATOM 68 C GLY A 80 -8.923 9.506 -1.310 1.00 0.00 C ATOM 69 O GLY A 80 -9.474 9.806 -0.251 1.00 0.00 O ATOM 0 HA2 GLY A 80 -10.506 10.364 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.655 9.059 -3.271 1.00 0.00 H new ATOM 73 N HIS A 81 -7.798 8.802 -1.368 1.00 0.00 N ATOM 74 CA HIS A 81 -7.130 8.330 -0.161 1.00 0.00 C ATOM 75 C HIS A 81 -5.924 7.466 -0.511 1.00 0.00 C ATOM 76 O HIS A 81 -6.008 6.238 -0.513 1.00 0.00 O ATOM 77 CB HIS A 81 -8.102 7.534 0.710 1.00 0.00 C ATOM 78 CG HIS A 81 -7.453 6.899 1.902 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.589 5.828 1.810 1.00 0.00 N ATOM 80 CD2 HIS A 81 -7.545 7.193 3.222 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.178 5.491 3.020 1.00 0.00 C ATOM 82 NE2 HIS A 81 -6.743 6.304 3.893 1.00 0.00 N ATOM 0 H HIS A 81 -7.330 8.546 -2.237 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.785 9.201 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.899 8.196 1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.569 6.758 0.104 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -6.311 5.368 0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.139 7.980 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.496 4.687 3.255 1.00 0.00 H new ATOM 91 N ILE A 82 -4.805 8.114 -0.807 1.00 0.00 N ATOM 92 CA ILE A 82 -3.584 7.400 -1.157 1.00 0.00 C ATOM 93 C ILE A 82 -2.647 7.298 0.039 1.00 0.00 C ATOM 94 O ILE A 82 -2.727 8.094 0.974 1.00 0.00 O ATOM 95 CB ILE A 82 -2.844 8.086 -2.319 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.842 8.535 -3.382 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.812 7.146 -2.921 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.194 9.165 -4.595 1.00 0.00 C ATOM 0 H ILE A 82 -4.717 9.130 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.882 6.399 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.324 8.963 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.431 7.675 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.535 9.250 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.298 7.647 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.087 6.864 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.310 6.252 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.965 9.459 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.628 10.045 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.522 8.446 -5.063 1.00 0.00 H new ATOM 110 N VAL A 83 -1.762 6.313 0.000 1.00 0.00 N ATOM 111 CA VAL A 83 -0.809 6.102 1.081 1.00 0.00 C ATOM 112 C VAL A 83 0.619 6.362 0.614 1.00 0.00 C ATOM 113 O VAL A 83 1.497 5.511 0.764 1.00 0.00 O ATOM 114 CB VAL A 83 -0.901 4.672 1.645 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.408 4.634 3.083 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.328 4.150 1.549 1.00 0.00 C ATOM 0 H VAL A 83 -1.683 5.647 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.066 6.810 1.869 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.261 4.023 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.480 3.616 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.630 4.963 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.021 5.296 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.373 3.138 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.992 4.799 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.642 4.139 0.505 1.00 0.00 H new ATOM 126 N ARG A 84 0.845 7.542 0.048 1.00 0.00 N ATOM 127 CA ARG A 84 2.167 7.915 -0.440 1.00 0.00 C ATOM 128 C ARG A 84 3.251 7.465 0.532 1.00 0.00 C ATOM 129 O ARG A 84 3.127 7.650 1.743 1.00 0.00 O ATOM 130 CB ARG A 84 2.249 9.429 -0.653 1.00 0.00 C ATOM 131 CG ARG A 84 1.243 10.216 0.173 1.00 0.00 C ATOM 132 CD ARG A 84 1.641 11.678 0.292 1.00 0.00 C ATOM 133 NE ARG A 84 1.455 12.188 1.648 1.00 0.00 N ATOM 134 CZ ARG A 84 0.301 12.667 2.102 1.00 0.00 C ATOM 135 NH1 ARG A 84 -0.761 12.705 1.311 1.00 0.00 N ATOM 136 NH2 ARG A 84 0.210 13.109 3.349 1.00 0.00 N ATOM 0 H ARG A 84 0.130 8.257 -0.084 1.00 0.00 H new ATOM 0 HA ARG A 84 2.330 7.414 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.255 9.768 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.090 9.648 -1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.257 10.143 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.165 9.777 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.685 11.794 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.048 12.273 -0.403 1.00 0.00 H new ATOM 0 HE ARG A 84 2.254 12.176 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.694 12.366 0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.645 13.073 1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.026 13.082 3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.676 13.476 3.696 1.00 0.00 H new ATOM 150 N SER A 85 4.313 6.873 -0.006 1.00 0.00 N ATOM 151 CA SER A 85 5.418 6.395 0.815 1.00 0.00 C ATOM 152 C SER A 85 5.661 7.329 1.995 1.00 0.00 C ATOM 153 O SER A 85 6.139 8.452 1.826 1.00 0.00 O ATOM 154 CB SER A 85 6.691 6.275 -0.024 1.00 0.00 C ATOM 155 OG SER A 85 7.307 5.012 0.161 1.00 0.00 O ATOM 0 H SER A 85 4.431 6.713 -1.007 1.00 0.00 H new ATOM 0 HA SER A 85 5.152 5.411 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.450 6.415 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.388 7.067 0.251 1.00 0.00 H new ATOM 0 HG SER A 85 8.068 5.105 0.772 1.00 0.00 H new ATOM 161 N PRO A 86 5.331 6.874 3.212 1.00 0.00 N ATOM 162 CA PRO A 86 5.513 7.667 4.431 1.00 0.00 C ATOM 163 C PRO A 86 6.982 7.948 4.718 1.00 0.00 C ATOM 164 O PRO A 86 7.315 8.730 5.609 1.00 0.00 O ATOM 165 CB PRO A 86 4.910 6.785 5.529 1.00 0.00 C ATOM 166 CG PRO A 86 4.950 5.402 4.976 1.00 0.00 C ATOM 167 CD PRO A 86 4.759 5.547 3.494 1.00 0.00 C ATOM 0 HA PRO A 86 5.043 8.647 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.483 6.858 6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.889 7.088 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.900 4.918 5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.166 4.784 5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.274 4.761 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.706 5.494 3.216 1.00 0.00 H new ATOM 175 N MET A 87 7.858 7.305 3.954 1.00 0.00 N ATOM 176 CA MET A 87 9.296 7.483 4.120 1.00 0.00 C ATOM 177 C MET A 87 10.055 6.877 2.944 1.00 0.00 C ATOM 178 O MET A 87 9.459 6.269 2.054 1.00 0.00 O ATOM 179 CB MET A 87 9.763 6.843 5.428 1.00 0.00 C ATOM 180 CG MET A 87 9.745 5.323 5.403 1.00 0.00 C ATOM 181 SD MET A 87 9.534 4.604 7.043 1.00 0.00 S ATOM 182 CE MET A 87 8.116 3.545 6.769 1.00 0.00 C ATOM 0 H MET A 87 7.597 6.655 3.213 1.00 0.00 H new ATOM 0 HA MET A 87 9.505 8.552 4.154 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.775 7.182 5.648 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.126 7.192 6.241 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.937 4.984 4.755 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.676 4.960 4.968 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.257 2.603 7.300 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.217 4.038 7.138 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.010 3.348 5.702 1.00 0.00 H new ATOM 192 N VAL A 88 11.372 7.048 2.946 1.00 0.00 N ATOM 193 CA VAL A 88 12.212 6.518 1.879 1.00 0.00 C ATOM 194 C VAL A 88 12.310 4.998 1.960 1.00 0.00 C ATOM 195 O VAL A 88 13.271 4.457 2.510 1.00 0.00 O ATOM 196 CB VAL A 88 13.630 7.115 1.933 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.578 8.628 1.792 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.329 6.715 3.224 1.00 0.00 C ATOM 0 H VAL A 88 11.881 7.549 3.674 1.00 0.00 H new ATOM 0 HA VAL A 88 11.742 6.800 0.937 1.00 0.00 H new ATOM 0 HB VAL A 88 14.205 6.716 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.589 9.032 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.121 8.889 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.986 9.049 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.330 7.146 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.758 7.083 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.401 5.629 3.277 1.00 0.00 H new ATOM 208 N GLY A 89 11.311 4.313 1.413 1.00 0.00 N ATOM 209 CA GLY A 89 11.306 2.862 1.438 1.00 0.00 C ATOM 210 C GLY A 89 10.746 2.260 0.165 1.00 0.00 C ATOM 211 O GLY A 89 10.713 2.913 -0.878 1.00 0.00 O ATOM 0 H GLY A 89 10.505 4.737 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.323 2.501 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.716 2.519 2.288 1.00 0.00 H new ATOM 215 N THR A 90 10.305 1.009 0.251 1.00 0.00 N ATOM 216 CA THR A 90 9.743 0.312 -0.901 1.00 0.00 C ATOM 217 C THR A 90 8.277 -0.035 -0.662 1.00 0.00 C ATOM 218 O THR A 90 7.885 -0.379 0.452 1.00 0.00 O ATOM 219 CB THR A 90 10.541 -0.960 -1.189 1.00 0.00 C ATOM 220 OG1 THR A 90 11.928 -0.678 -1.253 1.00 0.00 O ATOM 221 CG2 THR A 90 10.150 -1.632 -2.486 1.00 0.00 C ATOM 0 H THR A 90 10.326 0.456 1.108 1.00 0.00 H new ATOM 0 HA THR A 90 9.804 0.975 -1.764 1.00 0.00 H new ATOM 0 HB THR A 90 10.312 -1.636 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.422 -1.504 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.755 -2.528 -2.628 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.096 -1.908 -2.450 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.317 -0.946 -3.316 1.00 0.00 H new ATOM 229 N PHE A 91 7.471 0.056 -1.716 1.00 0.00 N ATOM 230 CA PHE A 91 6.047 -0.249 -1.618 1.00 0.00 C ATOM 231 C PHE A 91 5.753 -1.650 -2.146 1.00 0.00 C ATOM 232 O PHE A 91 6.322 -2.080 -3.151 1.00 0.00 O ATOM 233 CB PHE A 91 5.225 0.787 -2.390 1.00 0.00 C ATOM 234 CG PHE A 91 3.847 0.312 -2.757 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.651 -0.495 -3.873 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.743 0.670 -1.988 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.383 -0.935 -4.214 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.474 0.233 -2.326 1.00 0.00 C ATOM 239 CZ PHE A 91 1.293 -0.571 -3.440 1.00 0.00 C ATOM 0 H PHE A 91 7.779 0.338 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 91 5.765 -0.211 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.140 1.692 -1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.761 1.058 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.497 -0.782 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.878 1.296 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.244 -1.561 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.625 0.518 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.304 -0.913 -3.705 1.00 0.00 H new ATOM 249 N TYR A 92 4.859 -2.357 -1.459 1.00 0.00 N ATOM 250 CA TYR A 92 4.484 -3.710 -1.851 1.00 0.00 C ATOM 251 C TYR A 92 2.980 -3.923 -1.709 1.00 0.00 C ATOM 252 O TYR A 92 2.347 -3.372 -0.808 1.00 0.00 O ATOM 253 CB TYR A 92 5.236 -4.736 -1.001 1.00 0.00 C ATOM 254 CG TYR A 92 6.725 -4.755 -1.254 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.239 -4.432 -2.508 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.619 -5.095 -0.241 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.605 -4.447 -2.745 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.986 -5.112 -0.470 1.00 0.00 C ATOM 259 CZ TYR A 92 9.474 -4.787 -1.723 1.00 0.00 C ATOM 260 OH TYR A 92 10.830 -4.803 -1.955 1.00 0.00 O ATOM 0 H TYR A 92 4.381 -2.013 -0.626 1.00 0.00 H new ATOM 0 HA TYR A 92 4.755 -3.845 -2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.058 -4.523 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.829 -5.728 -1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.563 -4.166 -3.307 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.241 -5.349 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.989 -4.195 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.666 -5.378 0.326 1.00 0.00 H new ATOM 0 HH TYR A 92 10.997 -4.791 -2.921 1.00 0.00 H new ATOM 270 N ARG A 93 2.415 -4.726 -2.603 1.00 0.00 N ATOM 271 CA ARG A 93 0.986 -5.015 -2.576 1.00 0.00 C ATOM 272 C ARG A 93 0.737 -6.519 -2.537 1.00 0.00 C ATOM 273 O ARG A 93 -0.291 -7.001 -3.011 1.00 0.00 O ATOM 274 CB ARG A 93 0.296 -4.401 -3.796 1.00 0.00 C ATOM 275 CG ARG A 93 0.442 -5.228 -5.063 1.00 0.00 C ATOM 276 CD ARG A 93 -0.083 -4.482 -6.279 1.00 0.00 C ATOM 277 NE ARG A 93 -1.230 -5.156 -6.882 1.00 0.00 N ATOM 278 CZ ARG A 93 -1.167 -6.363 -7.435 1.00 0.00 C ATOM 279 NH1 ARG A 93 -0.018 -7.026 -7.455 1.00 0.00 N ATOM 280 NH2 ARG A 93 -2.251 -6.907 -7.970 1.00 0.00 N ATOM 0 H ARG A 93 2.925 -5.189 -3.356 1.00 0.00 H new ATOM 0 HA ARG A 93 0.568 -4.573 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.764 -4.273 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.707 -3.407 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.491 -5.481 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.099 -6.168 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.368 -3.471 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.712 -4.389 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.129 -4.674 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.818 -6.610 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.029 -7.952 -7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.136 -6.399 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.201 -7.833 -8.394 1.00 0.00 H new ATOM 294 N THR A 94 1.687 -7.254 -1.968 1.00 0.00 N ATOM 295 CA THR A 94 1.573 -8.705 -1.864 1.00 0.00 C ATOM 296 C THR A 94 2.239 -9.212 -0.588 1.00 0.00 C ATOM 297 O THR A 94 3.452 -9.092 -0.420 1.00 0.00 O ATOM 298 CB THR A 94 2.205 -9.376 -3.084 1.00 0.00 C ATOM 299 OG1 THR A 94 3.459 -8.789 -3.385 1.00 0.00 O ATOM 300 CG2 THR A 94 1.346 -9.289 -4.327 1.00 0.00 C ATOM 0 H THR A 94 2.544 -6.869 -1.572 1.00 0.00 H new ATOM 0 HA THR A 94 0.514 -8.960 -1.826 1.00 0.00 H new ATOM 0 HB THR A 94 2.316 -10.426 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.955 -8.633 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.853 -9.784 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.389 -9.777 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.176 -8.242 -4.580 1.00 0.00 H new ATOM 308 N PRO A 95 1.447 -9.786 0.330 1.00 0.00 N ATOM 309 CA PRO A 95 1.959 -10.314 1.599 1.00 0.00 C ATOM 310 C PRO A 95 2.804 -11.568 1.407 1.00 0.00 C ATOM 311 O PRO A 95 3.825 -11.748 2.071 1.00 0.00 O ATOM 312 CB PRO A 95 0.687 -10.640 2.386 1.00 0.00 C ATOM 313 CG PRO A 95 -0.350 -10.881 1.345 1.00 0.00 C ATOM 314 CD PRO A 95 -0.010 -9.964 0.202 1.00 0.00 C ATOM 0 HA PRO A 95 2.617 -9.604 2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.826 -11.518 3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.405 -9.817 3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.346 -11.923 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.347 -10.670 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.278 -10.403 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.539 -9.014 0.278 1.00 0.00 H new ATOM 322 N SER A 96 2.373 -12.434 0.496 1.00 0.00 N ATOM 323 CA SER A 96 3.092 -13.672 0.218 1.00 0.00 C ATOM 324 C SER A 96 3.339 -13.835 -1.278 1.00 0.00 C ATOM 325 O SER A 96 2.672 -13.209 -2.101 1.00 0.00 O ATOM 326 CB SER A 96 2.307 -14.873 0.750 1.00 0.00 C ATOM 327 OG SER A 96 3.173 -15.831 1.334 1.00 0.00 O ATOM 0 H SER A 96 1.530 -12.302 -0.062 1.00 0.00 H new ATOM 0 HA SER A 96 4.056 -13.623 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.580 -14.537 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.746 -15.334 -0.063 1.00 0.00 H new ATOM 0 HG SER A 96 2.647 -16.587 1.668 1.00 0.00 H new ATOM 333 N PRO A 97 4.309 -14.686 -1.646 1.00 0.00 N ATOM 334 CA PRO A 97 4.651 -14.939 -3.049 1.00 0.00 C ATOM 335 C PRO A 97 3.433 -15.324 -3.882 1.00 0.00 C ATOM 336 O PRO A 97 3.315 -14.938 -5.045 1.00 0.00 O ATOM 337 CB PRO A 97 5.637 -16.107 -2.971 1.00 0.00 C ATOM 338 CG PRO A 97 6.230 -16.012 -1.608 1.00 0.00 C ATOM 339 CD PRO A 97 5.145 -15.469 -0.720 1.00 0.00 C ATOM 0 HA PRO A 97 5.059 -14.052 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.132 -17.062 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.403 -16.030 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.566 -16.989 -1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.100 -15.356 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.577 -16.268 -0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.552 -14.848 0.078 1.00 0.00 H new ATOM 347 N ASP A 98 2.528 -16.088 -3.277 1.00 0.00 N ATOM 348 CA ASP A 98 1.317 -16.525 -3.963 1.00 0.00 C ATOM 349 C ASP A 98 0.084 -16.276 -3.101 1.00 0.00 C ATOM 350 O ASP A 98 -0.888 -17.029 -3.158 1.00 0.00 O ATOM 351 CB ASP A 98 1.414 -18.010 -4.317 1.00 0.00 C ATOM 352 CG ASP A 98 0.154 -18.531 -4.978 1.00 0.00 C ATOM 353 OD1 ASP A 98 -0.611 -17.710 -5.526 1.00 0.00 O ATOM 354 OD2 ASP A 98 -0.069 -19.760 -4.948 1.00 0.00 O ATOM 0 H ASP A 98 2.610 -16.417 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 98 1.220 -15.945 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.262 -18.167 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.610 -18.584 -3.412 1.00 0.00 H new ATOM 359 N ALA A 99 0.131 -15.214 -2.304 1.00 0.00 N ATOM 360 CA ALA A 99 -0.982 -14.865 -1.430 1.00 0.00 C ATOM 361 C ALA A 99 -2.118 -14.224 -2.219 1.00 0.00 C ATOM 362 O ALA A 99 -2.225 -14.406 -3.432 1.00 0.00 O ATOM 363 CB ALA A 99 -0.514 -13.931 -0.324 1.00 0.00 C ATOM 0 H ALA A 99 0.928 -14.580 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.359 -15.783 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.356 -13.679 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.259 -14.424 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.109 -13.020 -0.764 1.00 0.00 H new ATOM 369 N LYS A 100 -2.966 -13.474 -1.523 1.00 0.00 N ATOM 370 CA LYS A 100 -4.095 -12.805 -2.159 1.00 0.00 C ATOM 371 C LYS A 100 -3.828 -11.311 -2.310 1.00 0.00 C ATOM 372 O LYS A 100 -4.759 -10.511 -2.408 1.00 0.00 O ATOM 373 CB LYS A 100 -5.371 -13.031 -1.346 1.00 0.00 C ATOM 374 CG LYS A 100 -5.388 -12.287 -0.020 1.00 0.00 C ATOM 375 CD LYS A 100 -5.924 -13.162 1.101 1.00 0.00 C ATOM 376 CE LYS A 100 -7.388 -13.510 0.884 1.00 0.00 C ATOM 377 NZ LYS A 100 -7.864 -14.534 1.855 1.00 0.00 N ATOM 0 H LYS A 100 -2.893 -13.314 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.227 -13.232 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.230 -12.718 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.486 -14.098 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.379 -11.956 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.004 -11.392 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.336 -14.078 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.809 -12.646 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.994 -12.609 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.527 -13.880 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.866 -14.744 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.303 -15.403 1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.756 -14.171 2.824 1.00 0.00 H new ATOM 391 N ALA A 101 -2.552 -10.942 -2.328 1.00 0.00 N ATOM 392 CA ALA A 101 -2.161 -9.545 -2.470 1.00 0.00 C ATOM 393 C ALA A 101 -2.534 -8.739 -1.229 1.00 0.00 C ATOM 394 O ALA A 101 -3.304 -9.199 -0.386 1.00 0.00 O ATOM 395 CB ALA A 101 -2.806 -8.940 -3.707 1.00 0.00 C ATOM 0 H ALA A 101 -1.770 -11.592 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.077 -9.508 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.505 -7.896 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.485 -9.491 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.891 -8.998 -3.617 1.00 0.00 H new ATOM 401 N PHE A 102 -1.981 -7.534 -1.127 1.00 0.00 N ATOM 402 CA PHE A 102 -2.255 -6.660 0.009 1.00 0.00 C ATOM 403 C PHE A 102 -3.402 -5.705 -0.306 1.00 0.00 C ATOM 404 O PHE A 102 -4.189 -5.353 0.572 1.00 0.00 O ATOM 405 CB PHE A 102 -1.001 -5.866 0.380 1.00 0.00 C ATOM 406 CG PHE A 102 -0.301 -6.387 1.604 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.031 -6.793 2.715 1.00 0.00 C ATOM 408 CD2 PHE A 102 1.087 -6.475 1.644 1.00 0.00 C ATOM 409 CE1 PHE A 102 -0.391 -7.277 3.845 1.00 0.00 C ATOM 410 CE2 PHE A 102 1.733 -6.959 2.772 1.00 0.00 C ATOM 411 CZ PHE A 102 0.992 -7.360 3.873 1.00 0.00 C ATOM 0 H PHE A 102 -1.341 -7.141 -1.817 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.546 -7.282 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.307 -5.884 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.276 -4.824 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.109 -6.731 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.667 -6.163 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.969 -7.589 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.811 -7.023 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.493 -7.737 4.753 1.00 0.00 H new ATOM 421 N ILE A 103 -3.490 -5.291 -1.566 1.00 0.00 N ATOM 422 CA ILE A 103 -4.541 -4.378 -2.001 1.00 0.00 C ATOM 423 C ILE A 103 -4.652 -4.352 -3.521 1.00 0.00 C ATOM 424 O ILE A 103 -3.666 -4.561 -4.228 1.00 0.00 O ATOM 425 CB ILE A 103 -4.289 -2.945 -1.494 1.00 0.00 C ATOM 426 CG1 ILE A 103 -2.860 -2.508 -1.821 1.00 0.00 C ATOM 427 CG2 ILE A 103 -4.547 -2.857 0.002 1.00 0.00 C ATOM 428 CD1 ILE A 103 -2.789 -1.296 -2.724 1.00 0.00 C ATOM 0 H ILE A 103 -2.845 -5.574 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.474 -4.747 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.980 -2.271 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.334 -2.290 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.335 -3.337 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.364 -1.838 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.582 -3.129 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.880 -3.541 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.746 -1.044 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.286 -1.517 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.284 -0.453 -2.242 1.00 0.00 H new ATOM 440 N GLU A 104 -5.856 -4.094 -4.018 1.00 0.00 N ATOM 441 CA GLU A 104 -6.094 -4.040 -5.455 1.00 0.00 C ATOM 442 C GLU A 104 -7.304 -3.170 -5.775 1.00 0.00 C ATOM 443 O GLU A 104 -8.263 -3.114 -5.004 1.00 0.00 O ATOM 444 CB GLU A 104 -6.302 -5.448 -6.014 1.00 0.00 C ATOM 445 CG GLU A 104 -5.133 -5.952 -6.843 1.00 0.00 C ATOM 446 CD GLU A 104 -5.452 -7.238 -7.581 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.255 -8.039 -7.058 1.00 0.00 O ATOM 448 OE2 GLU A 104 -4.898 -7.444 -8.681 1.00 0.00 O ATOM 0 H GLU A 104 -6.683 -3.919 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.216 -3.597 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.474 -6.137 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.203 -5.457 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.846 -5.186 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.274 -6.115 -6.192 1.00 0.00 H new ATOM 455 N VAL A 105 -7.253 -2.492 -6.917 1.00 0.00 N ATOM 456 CA VAL A 105 -8.345 -1.625 -7.339 1.00 0.00 C ATOM 457 C VAL A 105 -9.671 -2.378 -7.354 1.00 0.00 C ATOM 458 O VAL A 105 -9.848 -3.329 -8.116 1.00 0.00 O ATOM 459 CB VAL A 105 -8.089 -1.038 -8.740 1.00 0.00 C ATOM 460 CG1 VAL A 105 -8.970 0.178 -8.979 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.620 -0.683 -8.911 1.00 0.00 C ATOM 0 H VAL A 105 -6.467 -2.527 -7.566 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.398 -0.812 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.344 -1.794 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.775 0.579 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.018 -0.112 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.749 0.940 -8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.459 -0.270 -9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.334 0.055 -8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.012 -1.579 -8.787 1.00 0.00 H new ATOM 471 N GLY A 106 -10.600 -1.948 -6.507 1.00 0.00 N ATOM 472 CA GLY A 106 -11.897 -2.594 -6.439 1.00 0.00 C ATOM 473 C GLY A 106 -12.292 -2.957 -5.021 1.00 0.00 C ATOM 474 O GLY A 106 -13.465 -2.873 -4.656 1.00 0.00 O ATOM 0 H GLY A 106 -10.478 -1.164 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.651 -1.932 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.882 -3.496 -7.051 1.00 0.00 H new ATOM 478 N GLN A 107 -11.312 -3.360 -4.220 1.00 0.00 N ATOM 479 CA GLN A 107 -11.563 -3.738 -2.833 1.00 0.00 C ATOM 480 C GLN A 107 -11.768 -2.503 -1.961 1.00 0.00 C ATOM 481 O GLN A 107 -10.968 -1.568 -1.993 1.00 0.00 O ATOM 482 CB GLN A 107 -10.399 -4.572 -2.292 1.00 0.00 C ATOM 483 CG GLN A 107 -9.214 -3.736 -1.835 1.00 0.00 C ATOM 484 CD GLN A 107 -8.124 -4.574 -1.197 1.00 0.00 C ATOM 485 OE1 GLN A 107 -7.466 -5.371 -1.865 1.00 0.00 O ATOM 486 NE2 GLN A 107 -7.926 -4.396 0.104 1.00 0.00 N ATOM 0 H GLN A 107 -10.336 -3.434 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.474 -4.336 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.752 -5.175 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.068 -5.264 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.802 -3.199 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.556 -2.986 -1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.495 -3.724 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.205 -4.931 0.588 1.00 0.00 H new ATOM 495 N LYS A 108 -12.845 -2.507 -1.182 1.00 0.00 N ATOM 496 CA LYS A 108 -13.156 -1.389 -0.301 1.00 0.00 C ATOM 497 C LYS A 108 -12.521 -1.584 1.073 1.00 0.00 C ATOM 498 O LYS A 108 -13.117 -2.188 1.964 1.00 0.00 O ATOM 499 CB LYS A 108 -14.671 -1.232 -0.153 1.00 0.00 C ATOM 500 CG LYS A 108 -15.400 -1.075 -1.479 1.00 0.00 C ATOM 501 CD LYS A 108 -16.594 -2.011 -1.573 1.00 0.00 C ATOM 502 CE LYS A 108 -17.885 -1.306 -1.191 1.00 0.00 C ATOM 503 NZ LYS A 108 -18.952 -2.272 -0.805 1.00 0.00 N ATOM 0 H LYS A 108 -13.517 -3.273 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.745 -0.484 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.069 -2.102 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.878 -0.363 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.735 -0.044 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.712 -1.278 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.676 -2.397 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.438 -2.868 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.695 -0.625 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.230 -0.700 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.816 -1.752 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.152 -2.906 -1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.634 -2.833 0.011 1.00 0.00 H new ATOM 517 N VAL A 109 -11.307 -1.067 1.238 1.00 0.00 N ATOM 518 CA VAL A 109 -10.592 -1.185 2.504 1.00 0.00 C ATOM 519 C VAL A 109 -11.459 -0.722 3.668 1.00 0.00 C ATOM 520 O VAL A 109 -12.556 -0.201 3.469 1.00 0.00 O ATOM 521 CB VAL A 109 -9.289 -0.365 2.493 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.263 -1.001 1.568 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.568 1.073 2.085 1.00 0.00 C ATOM 0 H VAL A 109 -10.799 -0.563 0.512 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.347 -2.239 2.632 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.877 -0.359 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.349 -0.406 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.041 -2.011 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.662 -1.042 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.636 1.638 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.005 1.090 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.264 1.524 2.793 1.00 0.00 H new ATOM 533 N ASN A 110 -10.958 -0.912 4.885 1.00 0.00 N ATOM 534 CA ASN A 110 -11.680 -0.514 6.083 1.00 0.00 C ATOM 535 C ASN A 110 -10.745 -0.467 7.284 1.00 0.00 C ATOM 536 O ASN A 110 -9.997 -1.409 7.541 1.00 0.00 O ATOM 537 CB ASN A 110 -12.833 -1.477 6.364 1.00 0.00 C ATOM 538 CG ASN A 110 -13.876 -1.473 5.264 1.00 0.00 C ATOM 539 OD1 ASN A 110 -14.503 -0.449 4.991 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.068 -2.620 4.623 1.00 0.00 N ATOM 0 H ASN A 110 -10.050 -1.341 5.065 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.087 0.483 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.438 -2.486 6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.305 -1.207 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -14.757 -2.676 3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -13.527 -3.445 4.881 1.00 0.00 H new ATOM 547 N VAL A 111 -10.797 0.637 8.013 1.00 0.00 N ATOM 548 CA VAL A 111 -9.958 0.818 9.191 1.00 0.00 C ATOM 549 C VAL A 111 -9.804 -0.490 9.961 1.00 0.00 C ATOM 550 O VAL A 111 -10.774 -1.214 10.175 1.00 0.00 O ATOM 551 CB VAL A 111 -10.535 1.890 10.134 1.00 0.00 C ATOM 552 CG1 VAL A 111 -9.472 2.377 11.106 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.109 3.050 9.335 1.00 0.00 C ATOM 0 H VAL A 111 -11.413 1.424 7.810 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.981 1.146 8.836 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.343 1.441 10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.900 3.134 11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.113 1.539 11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -8.640 2.808 10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.512 3.798 10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.322 3.499 8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.905 2.686 8.685 1.00 0.00 H new ATOM 563 N GLY A 112 -8.575 -0.785 10.373 1.00 0.00 N ATOM 564 CA GLY A 112 -8.316 -2.006 11.113 1.00 0.00 C ATOM 565 C GLY A 112 -7.982 -3.174 10.207 1.00 0.00 C ATOM 566 O GLY A 112 -7.878 -4.312 10.661 1.00 0.00 O ATOM 0 H GLY A 112 -7.755 -0.201 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.490 -1.839 11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.190 -2.255 11.714 1.00 0.00 H new ATOM 570 N ASP A 113 -7.814 -2.889 8.920 1.00 0.00 N ATOM 571 CA ASP A 113 -7.490 -3.922 7.943 1.00 0.00 C ATOM 572 C ASP A 113 -6.171 -3.611 7.244 1.00 0.00 C ATOM 573 O ASP A 113 -6.113 -2.769 6.347 1.00 0.00 O ATOM 574 CB ASP A 113 -8.611 -4.045 6.910 1.00 0.00 C ATOM 575 CG ASP A 113 -9.836 -4.746 7.466 1.00 0.00 C ATOM 576 OD1 ASP A 113 -9.702 -5.452 8.488 1.00 0.00 O ATOM 577 OD2 ASP A 113 -10.928 -4.587 6.881 1.00 0.00 O ATOM 0 H ASP A 113 -7.897 -1.951 8.529 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.387 -4.870 8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.891 -3.051 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.244 -4.594 6.043 1.00 0.00 H new ATOM 582 N THR A 114 -5.111 -4.296 7.664 1.00 0.00 N ATOM 583 CA THR A 114 -3.788 -4.095 7.083 1.00 0.00 C ATOM 584 C THR A 114 -3.883 -3.800 5.591 1.00 0.00 C ATOM 585 O THR A 114 -4.065 -4.708 4.779 1.00 0.00 O ATOM 586 CB THR A 114 -2.914 -5.328 7.310 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.180 -5.908 8.576 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.432 -5.030 7.245 1.00 0.00 C ATOM 0 H THR A 114 -5.143 -4.996 8.405 1.00 0.00 H new ATOM 0 HA THR A 114 -3.334 -3.236 7.577 1.00 0.00 H new ATOM 0 HB THR A 114 -3.168 -6.013 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.612 -6.696 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.869 -5.948 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.184 -4.628 6.262 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.174 -4.299 8.011 1.00 0.00 H new ATOM 596 N LEU A 115 -3.752 -2.527 5.235 1.00 0.00 N ATOM 597 CA LEU A 115 -3.819 -2.116 3.838 1.00 0.00 C ATOM 598 C LEU A 115 -2.776 -2.858 3.009 1.00 0.00 C ATOM 599 O LEU A 115 -3.075 -3.876 2.384 1.00 0.00 O ATOM 600 CB LEU A 115 -3.602 -0.607 3.717 1.00 0.00 C ATOM 601 CG LEU A 115 -4.879 0.235 3.712 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.553 1.699 3.959 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.623 0.066 2.396 1.00 0.00 C ATOM 0 H LEU A 115 -3.599 -1.763 5.893 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.810 -2.364 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.973 -0.279 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.051 -0.408 2.798 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.525 -0.113 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.473 2.283 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.064 1.804 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.888 2.061 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.529 0.672 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.984 0.387 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.890 -0.982 2.261 1.00 0.00 H new ATOM 615 N CYS A 116 -1.552 -2.345 3.015 1.00 0.00 N ATOM 616 CA CYS A 116 -0.460 -2.957 2.269 1.00 0.00 C ATOM 617 C CYS A 116 0.855 -2.821 3.027 1.00 0.00 C ATOM 618 O CYS A 116 0.904 -2.225 4.103 1.00 0.00 O ATOM 619 CB CYS A 116 -0.334 -2.313 0.886 1.00 0.00 C ATOM 620 SG CYS A 116 -0.859 -0.583 0.827 1.00 0.00 S ATOM 0 H CYS A 116 -1.290 -1.504 3.530 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.683 -4.017 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.704 -2.378 0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.928 -2.886 0.174 1.00 0.00 H new ATOM 0 HG CYS A 116 0.064 0.131 0.253 1.00 0.00 H new ATOM 626 N ILE A 117 1.920 -3.376 2.460 1.00 0.00 N ATOM 627 CA ILE A 117 3.235 -3.315 3.084 1.00 0.00 C ATOM 628 C ILE A 117 4.174 -2.417 2.283 1.00 0.00 C ATOM 629 O ILE A 117 4.023 -2.262 1.071 1.00 0.00 O ATOM 630 CB ILE A 117 3.846 -4.732 3.233 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.374 -5.372 4.540 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.370 -4.697 3.183 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.997 -6.724 4.814 1.00 0.00 C ATOM 0 H ILE A 117 1.898 -3.873 1.570 1.00 0.00 H new ATOM 0 HA ILE A 117 3.111 -2.888 4.079 1.00 0.00 H new ATOM 0 HB ILE A 117 3.502 -5.334 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.605 -4.701 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.290 -5.480 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.761 -5.709 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.693 -4.283 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.746 -4.074 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.615 -7.116 5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.745 -7.411 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 117 5.080 -6.620 4.876 1.00 0.00 H new ATOM 645 N VAL A 118 5.143 -1.831 2.975 1.00 0.00 N ATOM 646 CA VAL A 118 6.113 -0.948 2.341 1.00 0.00 C ATOM 647 C VAL A 118 7.505 -1.165 2.920 1.00 0.00 C ATOM 648 O VAL A 118 7.857 -0.589 3.949 1.00 0.00 O ATOM 649 CB VAL A 118 5.724 0.533 2.514 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.788 1.439 1.914 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.365 0.806 1.887 1.00 0.00 C ATOM 0 H VAL A 118 5.278 -1.952 3.979 1.00 0.00 H new ATOM 0 HA VAL A 118 6.118 -1.191 1.279 1.00 0.00 H new ATOM 0 HB VAL A 118 5.656 0.749 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.495 2.481 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.740 1.263 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.892 1.223 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.108 1.857 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.402 0.573 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.610 0.184 2.369 1.00 0.00 H new ATOM 661 N GLU A 119 8.293 -2.004 2.256 1.00 0.00 N ATOM 662 CA GLU A 119 9.648 -2.302 2.706 1.00 0.00 C ATOM 663 C GLU A 119 10.431 -1.020 2.979 1.00 0.00 C ATOM 664 O GLU A 119 11.166 -0.536 2.118 1.00 0.00 O ATOM 665 CB GLU A 119 10.381 -3.148 1.666 1.00 0.00 C ATOM 666 CG GLU A 119 10.795 -4.518 2.180 1.00 0.00 C ATOM 667 CD GLU A 119 11.884 -5.153 1.339 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.848 -4.443 0.981 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.774 -6.359 1.037 1.00 0.00 O ATOM 0 H GLU A 119 8.016 -2.490 1.403 1.00 0.00 H new ATOM 0 HA GLU A 119 9.575 -2.865 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.739 -3.275 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.269 -2.611 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.143 -4.426 3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.925 -5.174 2.196 1.00 0.00 H new ATOM 676 N ALA A 120 10.270 -0.479 4.182 1.00 0.00 N ATOM 677 CA ALA A 120 10.962 0.742 4.571 1.00 0.00 C ATOM 678 C ALA A 120 12.129 0.431 5.500 1.00 0.00 C ATOM 679 O ALA A 120 11.932 -0.039 6.620 1.00 0.00 O ATOM 680 CB ALA A 120 9.996 1.711 5.237 1.00 0.00 C ATOM 0 H ALA A 120 9.665 -0.869 4.905 1.00 0.00 H new ATOM 0 HA ALA A 120 11.359 1.210 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.529 2.618 5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.196 1.963 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.570 1.246 6.126 1.00 0.00 H new ATOM 686 N MET A 121 13.343 0.692 5.026 1.00 0.00 N ATOM 687 CA MET A 121 14.547 0.436 5.810 1.00 0.00 C ATOM 688 C MET A 121 14.953 -1.033 5.715 1.00 0.00 C ATOM 689 O MET A 121 15.694 -1.536 6.559 1.00 0.00 O ATOM 690 CB MET A 121 14.331 0.844 7.275 1.00 0.00 C ATOM 691 CG MET A 121 13.933 -0.305 8.193 1.00 0.00 C ATOM 692 SD MET A 121 15.306 -0.898 9.199 1.00 0.00 S ATOM 693 CE MET A 121 14.425 -1.577 10.604 1.00 0.00 C ATOM 0 H MET A 121 13.520 1.082 4.100 1.00 0.00 H new ATOM 0 HA MET A 121 15.357 1.039 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.248 1.295 7.653 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.558 1.611 7.316 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.123 0.021 8.846 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.546 -1.128 7.592 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.554 -0.922 11.465 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.365 -1.657 10.364 1.00 0.00 H new ATOM 0 HE3 MET A 121 14.820 -2.566 10.838 1.00 0.00 H new ATOM 703 N LYS A 122 14.457 -1.709 4.680 1.00 0.00 N ATOM 704 CA LYS A 122 14.759 -3.122 4.456 1.00 0.00 C ATOM 705 C LYS A 122 13.723 -4.021 5.131 1.00 0.00 C ATOM 706 O LYS A 122 13.798 -5.246 5.036 1.00 0.00 O ATOM 707 CB LYS A 122 16.169 -3.463 4.960 1.00 0.00 C ATOM 708 CG LYS A 122 16.204 -4.043 6.367 1.00 0.00 C ATOM 709 CD LYS A 122 15.986 -5.547 6.354 1.00 0.00 C ATOM 710 CE LYS A 122 16.981 -6.262 7.255 1.00 0.00 C ATOM 711 NZ LYS A 122 18.354 -5.836 6.999 1.00 0.00 N ATOM 0 H LYS A 122 13.840 -1.298 3.979 1.00 0.00 H new ATOM 0 HA LYS A 122 14.720 -3.304 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.626 -4.176 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.780 -2.561 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 122 17.164 -3.817 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.436 -3.568 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.971 -5.771 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 122 16.082 -5.921 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 122 16.730 -6.069 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.901 -7.338 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.991 -6.654 7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 18.420 -5.433 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 18.630 -5.117 7.698 1.00 0.00 H new ATOM 722 N MET A 123 12.758 -3.409 5.810 1.00 0.00 N ATOM 723 CA MET A 123 11.714 -4.164 6.495 1.00 0.00 C ATOM 724 C MET A 123 10.328 -3.752 6.010 1.00 0.00 C ATOM 725 O MET A 123 10.032 -2.565 5.876 1.00 0.00 O ATOM 726 CB MET A 123 11.816 -3.962 8.008 1.00 0.00 C ATOM 727 CG MET A 123 13.099 -4.508 8.611 1.00 0.00 C ATOM 728 SD MET A 123 13.009 -6.277 8.950 1.00 0.00 S ATOM 729 CE MET A 123 14.003 -6.388 10.436 1.00 0.00 C ATOM 0 H MET A 123 12.677 -2.396 5.901 1.00 0.00 H new ATOM 0 HA MET A 123 11.859 -5.219 6.264 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.745 -2.897 8.229 1.00 0.00 H new ATOM 0 HB3 MET A 123 10.965 -4.445 8.488 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.927 -4.314 7.930 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.316 -3.975 9.537 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.043 -7.425 10.770 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.013 -6.035 10.226 1.00 0.00 H new ATOM 0 HE3 MET A 123 13.559 -5.771 11.218 1.00 0.00 H new ATOM 739 N MET A 124 9.482 -4.743 5.750 1.00 0.00 N ATOM 740 CA MET A 124 8.125 -4.493 5.283 1.00 0.00 C ATOM 741 C MET A 124 7.316 -3.737 6.331 1.00 0.00 C ATOM 742 O MET A 124 7.176 -4.191 7.467 1.00 0.00 O ATOM 743 CB MET A 124 7.428 -5.813 4.945 1.00 0.00 C ATOM 744 CG MET A 124 7.844 -6.969 5.841 1.00 0.00 C ATOM 745 SD MET A 124 6.676 -8.342 5.788 1.00 0.00 S ATOM 746 CE MET A 124 7.390 -9.342 4.485 1.00 0.00 C ATOM 0 H MET A 124 9.714 -5.731 5.856 1.00 0.00 H new ATOM 0 HA MET A 124 8.187 -3.879 4.385 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.350 -5.675 5.022 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.643 -6.072 3.908 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.829 -7.323 5.537 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.935 -6.614 6.867 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.779 -10.232 4.333 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.426 -8.764 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.400 -9.639 4.767 1.00 0.00 H new ATOM 756 N ASN A 125 6.783 -2.584 5.943 1.00 0.00 N ATOM 757 CA ASN A 125 5.985 -1.767 6.851 1.00 0.00 C ATOM 758 C ASN A 125 4.499 -1.900 6.535 1.00 0.00 C ATOM 759 O ASN A 125 3.917 -1.049 5.864 1.00 0.00 O ATOM 760 CB ASN A 125 6.408 -0.300 6.759 1.00 0.00 C ATOM 761 CG ASN A 125 6.410 0.385 8.111 1.00 0.00 C ATOM 762 OD1 ASN A 125 5.397 0.934 8.543 1.00 0.00 O ATOM 763 ND2 ASN A 125 7.553 0.357 8.788 1.00 0.00 N ATOM 0 H ASN A 125 6.889 -2.194 5.007 1.00 0.00 H new ATOM 0 HA ASN A 125 6.157 -2.123 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.405 -0.238 6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.732 0.229 6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.614 0.802 9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.369 -0.110 8.392 1.00 0.00 H new ATOM 770 N GLN A 126 3.891 -2.977 7.023 1.00 0.00 N ATOM 771 CA GLN A 126 2.472 -3.225 6.794 1.00 0.00 C ATOM 772 C GLN A 126 1.626 -2.065 7.309 1.00 0.00 C ATOM 773 O GLN A 126 1.591 -1.796 8.510 1.00 0.00 O ATOM 774 CB GLN A 126 2.044 -4.525 7.475 1.00 0.00 C ATOM 775 CG GLN A 126 2.482 -4.622 8.927 1.00 0.00 C ATOM 776 CD GLN A 126 1.317 -4.835 9.875 1.00 0.00 C ATOM 777 OE1 GLN A 126 1.068 -5.951 10.330 1.00 0.00 O ATOM 778 NE2 GLN A 126 0.596 -3.762 10.178 1.00 0.00 N ATOM 0 H GLN A 126 4.359 -3.692 7.580 1.00 0.00 H new ATOM 0 HA GLN A 126 2.314 -3.317 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.959 -4.612 7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.457 -5.369 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 126 3.189 -5.445 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.010 -3.710 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.838 -2.855 9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -0.200 -3.844 10.811 1.00 0.00 H new ATOM 787 N ILE A 127 0.945 -1.384 6.394 1.00 0.00 N ATOM 788 CA ILE A 127 0.096 -0.254 6.756 1.00 0.00 C ATOM 789 C ILE A 127 -1.260 -0.729 7.264 1.00 0.00 C ATOM 790 O ILE A 127 -1.765 -1.767 6.837 1.00 0.00 O ATOM 791 CB ILE A 127 -0.120 0.693 5.560 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.191 0.898 4.799 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.677 2.027 6.035 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.114 1.908 5.444 1.00 0.00 C ATOM 0 H ILE A 127 0.964 -1.594 5.396 1.00 0.00 H new ATOM 0 HA ILE A 127 0.611 0.288 7.550 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.843 0.239 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.709 -0.058 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.965 1.222 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.824 2.685 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.631 1.865 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.025 2.487 6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.023 2.001 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.614 2.875 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.371 1.576 6.450 1.00 0.00 H new ATOM 806 N GLU A 128 -1.847 0.038 8.178 1.00 0.00 N ATOM 807 CA GLU A 128 -3.147 -0.307 8.742 1.00 0.00 C ATOM 808 C GLU A 128 -4.212 0.692 8.302 1.00 0.00 C ATOM 809 O GLU A 128 -4.066 1.898 8.501 1.00 0.00 O ATOM 810 CB GLU A 128 -3.070 -0.351 10.268 1.00 0.00 C ATOM 811 CG GLU A 128 -4.156 -1.203 10.907 1.00 0.00 C ATOM 812 CD GLU A 128 -3.992 -1.326 12.409 1.00 0.00 C ATOM 813 OE1 GLU A 128 -4.279 -0.341 13.121 1.00 0.00 O ATOM 814 OE2 GLU A 128 -3.576 -2.408 12.875 1.00 0.00 O ATOM 0 H GLU A 128 -1.444 0.901 8.543 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.425 -1.294 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.095 -0.738 10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.141 0.665 10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.131 -0.768 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -4.142 -2.197 10.461 1.00 0.00 H new ATOM 821 N ALA A 129 -5.283 0.181 7.704 1.00 0.00 N ATOM 822 CA ALA A 129 -6.374 1.028 7.235 1.00 0.00 C ATOM 823 C ALA A 129 -6.596 2.210 8.173 1.00 0.00 C ATOM 824 O ALA A 129 -7.110 2.049 9.279 1.00 0.00 O ATOM 825 CB ALA A 129 -7.652 0.213 7.099 1.00 0.00 C ATOM 0 H ALA A 129 -5.419 -0.815 7.533 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.100 1.422 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.459 0.857 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.495 -0.594 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.920 -0.209 8.068 1.00 0.00 H new ATOM 831 N ASP A 130 -6.203 3.396 7.722 1.00 0.00 N ATOM 832 CA ASP A 130 -6.358 4.606 8.521 1.00 0.00 C ATOM 833 C ASP A 130 -7.645 5.343 8.160 1.00 0.00 C ATOM 834 O ASP A 130 -7.917 6.427 8.676 1.00 0.00 O ATOM 835 CB ASP A 130 -5.155 5.531 8.321 1.00 0.00 C ATOM 836 CG ASP A 130 -4.264 5.593 9.545 1.00 0.00 C ATOM 837 OD1 ASP A 130 -4.484 4.796 10.481 1.00 0.00 O ATOM 838 OD2 ASP A 130 -3.346 6.441 9.568 1.00 0.00 O ATOM 0 H ASP A 130 -5.775 3.545 6.808 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.414 4.311 9.569 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.572 5.185 7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.507 6.534 8.080 1.00 0.00 H new ATOM 843 N LYS A 131 -8.435 4.749 7.271 1.00 0.00 N ATOM 844 CA LYS A 131 -9.693 5.351 6.843 1.00 0.00 C ATOM 845 C LYS A 131 -10.350 4.518 5.747 1.00 0.00 C ATOM 846 O LYS A 131 -9.764 4.297 4.687 1.00 0.00 O ATOM 847 CB LYS A 131 -9.457 6.778 6.344 1.00 0.00 C ATOM 848 CG LYS A 131 -10.607 7.334 5.521 1.00 0.00 C ATOM 849 CD LYS A 131 -10.200 8.592 4.770 1.00 0.00 C ATOM 850 CE LYS A 131 -11.288 9.652 4.829 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.211 10.592 3.678 1.00 0.00 N ATOM 0 H LYS A 131 -8.226 3.852 6.833 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.363 5.381 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.286 7.430 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -8.548 6.798 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -10.946 6.579 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.450 7.557 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -9.279 8.990 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.988 8.344 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -12.265 9.169 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.200 10.211 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -11.970 11.299 3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.289 11.072 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.321 10.063 2.790 1.00 0.00 H new ATOM 865 N SER A 132 -11.569 4.060 6.007 1.00 0.00 N ATOM 866 CA SER A 132 -12.304 3.252 5.042 1.00 0.00 C ATOM 867 C SER A 132 -12.250 3.883 3.655 1.00 0.00 C ATOM 868 O SER A 132 -12.437 5.091 3.505 1.00 0.00 O ATOM 869 CB SER A 132 -13.759 3.087 5.484 1.00 0.00 C ATOM 870 OG SER A 132 -14.454 4.320 5.422 1.00 0.00 O ATOM 0 H SER A 132 -12.069 4.235 6.879 1.00 0.00 H new ATOM 0 HA SER A 132 -11.834 2.270 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.255 2.354 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.791 2.699 6.502 1.00 0.00 H new ATOM 0 HG SER A 132 -15.382 4.187 5.708 1.00 0.00 H new ATOM 876 N GLY A 133 -11.994 3.059 2.644 1.00 0.00 N ATOM 877 CA GLY A 133 -11.921 3.556 1.283 1.00 0.00 C ATOM 878 C GLY A 133 -11.988 2.446 0.254 1.00 0.00 C ATOM 879 O GLY A 133 -12.259 1.292 0.592 1.00 0.00 O ATOM 0 H GLY A 133 -11.836 2.056 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.739 4.256 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.993 4.112 1.152 1.00 0.00 H new ATOM 883 N THR A 134 -11.745 2.795 -1.005 1.00 0.00 N ATOM 884 CA THR A 134 -11.782 1.821 -2.089 1.00 0.00 C ATOM 885 C THR A 134 -10.601 2.007 -3.033 1.00 0.00 C ATOM 886 O THR A 134 -10.563 2.962 -3.809 1.00 0.00 O ATOM 887 CB THR A 134 -13.085 1.957 -2.873 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.202 1.944 -2.002 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.283 0.859 -3.894 1.00 0.00 C ATOM 0 H THR A 134 -11.520 3.745 -1.300 1.00 0.00 H new ATOM 0 HA THR A 134 -11.722 0.826 -1.648 1.00 0.00 H new ATOM 0 HB THR A 134 -13.009 2.910 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.026 2.034 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.227 1.014 -4.416 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.463 0.878 -4.612 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.302 -0.107 -3.390 1.00 0.00 H new ATOM 897 N VAL A 135 -9.643 1.090 -2.975 1.00 0.00 N ATOM 898 CA VAL A 135 -8.474 1.169 -3.841 1.00 0.00 C ATOM 899 C VAL A 135 -8.875 1.622 -5.238 1.00 0.00 C ATOM 900 O VAL A 135 -9.912 1.207 -5.758 1.00 0.00 O ATOM 901 CB VAL A 135 -7.746 -0.184 -3.942 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.545 -0.067 -4.866 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.326 -0.669 -2.563 1.00 0.00 C ATOM 0 H VAL A 135 -9.652 0.289 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.795 1.896 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.432 -0.920 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.039 -1.030 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.878 0.233 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.855 0.680 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.813 -1.626 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.655 0.060 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.209 -0.789 -1.935 1.00 0.00 H new ATOM 913 N LYS A 136 -8.062 2.481 -5.840 1.00 0.00 N ATOM 914 CA LYS A 136 -8.353 2.989 -7.171 1.00 0.00 C ATOM 915 C LYS A 136 -7.211 2.691 -8.134 1.00 0.00 C ATOM 916 O LYS A 136 -7.396 2.705 -9.350 1.00 0.00 O ATOM 917 CB LYS A 136 -8.612 4.492 -7.109 1.00 0.00 C ATOM 918 CG LYS A 136 -9.771 4.865 -6.202 1.00 0.00 C ATOM 919 CD LYS A 136 -11.107 4.509 -6.833 1.00 0.00 C ATOM 920 CE LYS A 136 -11.605 5.618 -7.745 1.00 0.00 C ATOM 921 NZ LYS A 136 -11.424 5.278 -9.183 1.00 0.00 N ATOM 0 H LYS A 136 -7.200 2.838 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.246 2.486 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.710 4.995 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.814 4.861 -8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.669 4.348 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.740 5.934 -5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.007 3.585 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -11.842 4.322 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.660 5.805 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.070 6.541 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -11.245 6.147 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -10.616 4.631 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -12.285 4.818 -9.542 1.00 0.00 H new ATOM 935 N ALA A 137 -6.029 2.425 -7.585 1.00 0.00 N ATOM 936 CA ALA A 137 -4.865 2.128 -8.407 1.00 0.00 C ATOM 937 C ALA A 137 -3.571 2.313 -7.625 1.00 0.00 C ATOM 938 O ALA A 137 -3.517 3.090 -6.671 1.00 0.00 O ATOM 939 CB ALA A 137 -4.866 3.017 -9.637 1.00 0.00 C ATOM 0 H ALA A 137 -5.855 2.410 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 137 -4.921 1.084 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.993 2.792 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.772 2.836 -10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.834 4.062 -9.330 1.00 0.00 H new ATOM 945 N ILE A 138 -2.528 1.599 -8.038 1.00 0.00 N ATOM 946 CA ILE A 138 -1.236 1.691 -7.378 1.00 0.00 C ATOM 947 C ILE A 138 -0.290 2.587 -8.172 1.00 0.00 C ATOM 948 O ILE A 138 0.482 2.109 -9.002 1.00 0.00 O ATOM 949 CB ILE A 138 -0.585 0.302 -7.202 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.576 -0.812 -7.550 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.080 0.136 -5.778 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.837 -0.783 -6.713 1.00 0.00 C ATOM 0 H ILE A 138 -2.555 0.952 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.411 2.121 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 138 0.261 0.230 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.846 -0.731 -8.603 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.086 -1.777 -7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.377 -0.847 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.660 0.907 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.914 0.229 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.493 -1.600 -7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.578 -0.895 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.350 0.167 -6.861 1.00 0.00 H new ATOM 964 N LEU A 139 -0.358 3.891 -7.913 1.00 0.00 N ATOM 965 CA LEU A 139 0.493 4.849 -8.609 1.00 0.00 C ATOM 966 C LEU A 139 1.914 4.319 -8.708 1.00 0.00 C ATOM 967 O LEU A 139 2.655 4.650 -9.634 1.00 0.00 O ATOM 968 CB LEU A 139 0.490 6.199 -7.885 1.00 0.00 C ATOM 969 CG LEU A 139 -0.792 7.022 -8.038 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.472 8.509 -8.044 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.535 6.633 -9.309 1.00 0.00 C ATOM 0 H LEU A 139 -0.991 4.306 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 139 0.096 4.990 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.665 6.023 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.328 6.791 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.438 6.809 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.394 9.079 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.013 8.781 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.195 8.734 -8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.443 7.230 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.896 6.814 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.799 5.576 -9.267 1.00 0.00 H new ATOM 983 N VAL A 140 2.284 3.489 -7.743 1.00 0.00 N ATOM 984 CA VAL A 140 3.611 2.899 -7.706 1.00 0.00 C ATOM 985 C VAL A 140 3.566 1.439 -8.133 1.00 0.00 C ATOM 986 O VAL A 140 2.694 0.683 -7.703 1.00 0.00 O ATOM 987 CB VAL A 140 4.217 2.986 -6.296 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.540 2.239 -6.234 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.395 4.438 -5.879 1.00 0.00 C ATOM 0 H VAL A 140 1.678 3.209 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 140 4.234 3.463 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 140 3.528 2.513 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.953 2.313 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.378 1.190 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.239 2.678 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.825 4.479 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.061 4.939 -6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.426 4.938 -5.878 1.00 0.00 H new ATOM 999 N GLU A 141 4.511 1.046 -8.973 1.00 0.00 N ATOM 1000 CA GLU A 141 4.581 -0.327 -9.450 1.00 0.00 C ATOM 1001 C GLU A 141 4.916 -1.270 -8.304 1.00 0.00 C ATOM 1002 O GLU A 141 6.081 -1.432 -7.941 1.00 0.00 O ATOM 1003 CB GLU A 141 5.628 -0.456 -10.557 1.00 0.00 C ATOM 1004 CG GLU A 141 5.043 -0.383 -11.956 1.00 0.00 C ATOM 1005 CD GLU A 141 6.109 -0.348 -13.034 1.00 0.00 C ATOM 1006 OE1 GLU A 141 7.095 0.402 -12.870 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.959 -1.072 -14.041 1.00 0.00 O ATOM 0 H GLU A 141 5.240 1.658 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 141 3.607 -0.599 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.368 0.335 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.153 -1.404 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 141 4.394 -1.244 -12.120 1.00 0.00 H new ATOM 0 HG3 GLU A 141 4.419 0.507 -12.039 1.00 0.00 H new ATOM 1014 N SER A 142 3.886 -1.885 -7.729 1.00 0.00 N ATOM 1015 CA SER A 142 4.074 -2.806 -6.617 1.00 0.00 C ATOM 1016 C SER A 142 5.362 -3.603 -6.790 1.00 0.00 C ATOM 1017 O SER A 142 5.690 -4.036 -7.894 1.00 0.00 O ATOM 1018 CB SER A 142 2.888 -3.761 -6.502 1.00 0.00 C ATOM 1019 OG SER A 142 2.704 -4.494 -7.700 1.00 0.00 O ATOM 0 H SER A 142 2.915 -1.761 -8.016 1.00 0.00 H new ATOM 0 HA SER A 142 4.143 -2.218 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.051 -4.449 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.984 -3.197 -6.275 1.00 0.00 H new ATOM 0 HG SER A 142 2.231 -3.938 -8.354 1.00 0.00 H new ATOM 1025 N GLY A 143 6.090 -3.790 -5.696 1.00 0.00 N ATOM 1026 CA GLY A 143 7.333 -4.531 -5.759 1.00 0.00 C ATOM 1027 C GLY A 143 8.487 -3.680 -6.251 1.00 0.00 C ATOM 1028 O GLY A 143 9.364 -4.167 -6.964 1.00 0.00 O ATOM 0 H GLY A 143 5.842 -3.443 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.570 -4.923 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.209 -5.388 -6.421 1.00 0.00 H new ATOM 1032 N GLN A 144 8.486 -2.407 -5.870 1.00 0.00 N ATOM 1033 CA GLN A 144 9.542 -1.488 -6.283 1.00 0.00 C ATOM 1034 C GLN A 144 9.788 -0.420 -5.222 1.00 0.00 C ATOM 1035 O GLN A 144 8.930 -0.157 -4.379 1.00 0.00 O ATOM 1036 CB GLN A 144 9.179 -0.825 -7.615 1.00 0.00 C ATOM 1037 CG GLN A 144 8.352 0.442 -7.461 1.00 0.00 C ATOM 1038 CD GLN A 144 7.908 1.019 -8.792 1.00 0.00 C ATOM 1039 OE1 GLN A 144 6.857 1.652 -8.886 1.00 0.00 O ATOM 1040 NE2 GLN A 144 8.709 0.806 -9.829 1.00 0.00 N ATOM 0 H GLN A 144 7.769 -1.989 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 144 10.458 -2.065 -6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.096 -0.587 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 144 8.626 -1.538 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.474 0.226 -6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.936 1.189 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 144 9.572 0.276 -9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.462 1.173 -10.748 1.00 0.00 H new ATOM 1049 N PRO A 145 10.971 0.211 -5.256 1.00 0.00 N ATOM 1050 CA PRO A 145 11.339 1.260 -4.298 1.00 0.00 C ATOM 1051 C PRO A 145 10.512 2.528 -4.486 1.00 0.00 C ATOM 1052 O PRO A 145 9.665 2.600 -5.377 1.00 0.00 O ATOM 1053 CB PRO A 145 12.812 1.529 -4.612 1.00 0.00 C ATOM 1054 CG PRO A 145 12.983 1.107 -6.031 1.00 0.00 C ATOM 1055 CD PRO A 145 12.041 -0.048 -6.235 1.00 0.00 C ATOM 0 HA PRO A 145 11.161 0.953 -3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.058 2.583 -4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.467 0.963 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 145 12.751 1.925 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.013 0.810 -6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.655 -0.078 -7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.531 -1.004 -6.052 1.00 0.00 H new ATOM 1063 N VAL A 146 10.762 3.523 -3.642 1.00 0.00 N ATOM 1064 CA VAL A 146 10.037 4.787 -3.718 1.00 0.00 C ATOM 1065 C VAL A 146 10.660 5.838 -2.806 1.00 0.00 C ATOM 1066 O VAL A 146 11.696 5.600 -2.184 1.00 0.00 O ATOM 1067 CB VAL A 146 8.557 4.606 -3.333 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.751 4.106 -4.522 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.427 3.654 -2.154 1.00 0.00 C ATOM 0 H VAL A 146 11.459 3.480 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 146 10.101 5.125 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 146 8.157 5.575 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.708 3.985 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.818 4.828 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.149 3.147 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.375 3.537 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.844 2.683 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.969 4.058 -1.299 1.00 0.00 H new ATOM 1079 N GLU A 147 10.022 7.002 -2.732 1.00 0.00 N ATOM 1080 CA GLU A 147 10.512 8.092 -1.896 1.00 0.00 C ATOM 1081 C GLU A 147 9.352 8.845 -1.249 1.00 0.00 C ATOM 1082 O GLU A 147 8.232 8.838 -1.761 1.00 0.00 O ATOM 1083 CB GLU A 147 11.360 9.059 -2.724 1.00 0.00 C ATOM 1084 CG GLU A 147 12.657 9.465 -2.045 1.00 0.00 C ATOM 1085 CD GLU A 147 13.880 9.132 -2.877 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.835 9.334 -4.108 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.884 8.668 -2.296 1.00 0.00 O ATOM 0 H GLU A 147 9.164 7.214 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 147 11.130 7.661 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.591 8.596 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 147 10.774 9.954 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 147 12.638 10.536 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 147 12.731 8.963 -1.080 1.00 0.00 H new ATOM 1094 N PHE A 148 9.628 9.491 -0.123 1.00 0.00 N ATOM 1095 CA PHE A 148 8.610 10.249 0.595 1.00 0.00 C ATOM 1096 C PHE A 148 7.744 11.052 -0.373 1.00 0.00 C ATOM 1097 O PHE A 148 8.242 11.604 -1.353 1.00 0.00 O ATOM 1098 CB PHE A 148 9.265 11.187 1.611 1.00 0.00 C ATOM 1099 CG PHE A 148 8.314 12.181 2.213 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.402 11.788 3.187 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.330 13.512 1.809 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.524 12.704 3.745 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.454 14.432 2.364 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.549 14.027 3.333 1.00 0.00 C ATOM 0 H PHE A 148 10.550 9.505 0.314 1.00 0.00 H new ATOM 0 HA PHE A 148 7.971 9.541 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.708 10.592 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 148 10.079 11.724 1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.378 10.758 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.033 13.832 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.821 12.387 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.477 15.463 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.865 14.741 3.766 1.00 0.00 H new ATOM 1114 N ASP A 149 6.446 11.110 -0.090 1.00 0.00 N ATOM 1115 CA ASP A 149 5.510 11.844 -0.936 1.00 0.00 C ATOM 1116 C ASP A 149 5.388 11.188 -2.305 1.00 0.00 C ATOM 1117 O ASP A 149 5.112 11.854 -3.302 1.00 0.00 O ATOM 1118 CB ASP A 149 5.960 13.297 -1.091 1.00 0.00 C ATOM 1119 CG ASP A 149 4.792 14.259 -1.166 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.634 13.789 -1.159 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.032 15.483 -1.231 1.00 0.00 O ATOM 0 H ASP A 149 6.018 10.658 0.718 1.00 0.00 H new ATOM 0 HA ASP A 149 4.532 11.825 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.597 13.569 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.565 13.393 -1.993 1.00 0.00 H new ATOM 1126 N GLU A 150 5.592 9.877 -2.345 1.00 0.00 N ATOM 1127 CA GLU A 150 5.502 9.129 -3.591 1.00 0.00 C ATOM 1128 C GLU A 150 4.260 8.246 -3.605 1.00 0.00 C ATOM 1129 O GLU A 150 4.351 7.025 -3.471 1.00 0.00 O ATOM 1130 CB GLU A 150 6.754 8.272 -3.788 1.00 0.00 C ATOM 1131 CG GLU A 150 6.702 7.394 -5.028 1.00 0.00 C ATOM 1132 CD GLU A 150 7.328 8.057 -6.239 1.00 0.00 C ATOM 1133 OE1 GLU A 150 8.562 7.951 -6.401 1.00 0.00 O ATOM 1134 OE2 GLU A 150 6.585 8.680 -7.026 1.00 0.00 O ATOM 0 H GLU A 150 5.821 9.310 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 150 5.428 9.844 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.625 8.925 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.893 7.640 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.217 6.455 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.664 7.146 -5.250 1.00 0.00 H new ATOM 1141 N PRO A 151 3.077 8.857 -3.774 1.00 0.00 N ATOM 1142 CA PRO A 151 1.810 8.137 -3.814 1.00 0.00 C ATOM 1143 C PRO A 151 1.955 6.748 -4.425 1.00 0.00 C ATOM 1144 O PRO A 151 2.391 6.606 -5.568 1.00 0.00 O ATOM 1145 CB PRO A 151 0.958 9.041 -4.696 1.00 0.00 C ATOM 1146 CG PRO A 151 1.435 10.425 -4.383 1.00 0.00 C ATOM 1147 CD PRO A 151 2.882 10.306 -3.951 1.00 0.00 C ATOM 0 HA PRO A 151 1.389 7.954 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.090 8.805 -5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.103 8.927 -4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.345 11.071 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.832 10.872 -3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.559 10.712 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.070 10.851 -3.026 1.00 0.00 H new ATOM 1155 N LEU A 152 1.603 5.724 -3.653 1.00 0.00 N ATOM 1156 CA LEU A 152 1.712 4.347 -4.120 1.00 0.00 C ATOM 1157 C LEU A 152 0.346 3.673 -4.205 1.00 0.00 C ATOM 1158 O LEU A 152 -0.100 3.297 -5.287 1.00 0.00 O ATOM 1159 CB LEU A 152 2.625 3.538 -3.195 1.00 0.00 C ATOM 1160 CG LEU A 152 3.614 4.359 -2.363 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.444 4.056 -0.882 1.00 0.00 C ATOM 1162 CD2 LEU A 152 5.041 4.075 -2.805 1.00 0.00 C ATOM 0 H LEU A 152 1.241 5.822 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 152 2.143 4.377 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.002 2.956 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.188 2.827 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 152 3.407 5.417 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.155 4.648 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.429 4.306 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.626 2.996 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.732 4.666 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.259 3.015 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.156 4.340 -3.856 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.304 3.509 -3.058 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.608 2.862 -3.003 1.00 0.00 C ATOM 1176 C VAL A 153 -2.738 3.883 -2.927 1.00 0.00 C ATOM 1177 O VAL A 153 -2.992 4.475 -1.879 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.703 1.905 -1.797 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.095 2.540 -0.557 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.147 1.496 -1.543 1.00 0.00 C ATOM 0 H VAL A 153 0.052 3.816 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.715 2.290 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.134 1.006 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.173 1.848 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.046 2.769 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.630 3.459 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.189 0.821 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.745 2.383 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.542 0.990 -2.424 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.416 4.073 -4.052 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.531 5.011 -4.134 1.00 0.00 C ATOM 1192 C VAL A 154 -5.843 4.337 -3.746 1.00 0.00 C ATOM 1193 O VAL A 154 -6.131 3.221 -4.181 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.675 5.591 -5.553 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.576 6.817 -5.543 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.311 5.925 -6.134 1.00 0.00 C ATOM 0 H VAL A 154 -3.212 3.587 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.314 5.820 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.139 4.836 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.665 7.212 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.563 6.540 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.146 7.579 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.433 6.334 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.816 6.661 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.705 5.021 -6.182 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.636 5.021 -2.927 1.00 0.00 N ATOM 1207 CA ILE A 155 -7.918 4.488 -2.480 1.00 0.00 C ATOM 1208 C ILE A 155 -8.999 5.565 -2.495 1.00 0.00 C ATOM 1209 O ILE A 155 -8.773 6.689 -2.049 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.812 3.903 -1.058 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.894 2.678 -1.054 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.190 3.540 -0.526 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.546 2.189 0.335 1.00 0.00 C ATOM 0 H ILE A 155 -6.413 5.946 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.192 3.695 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.381 4.660 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.377 1.870 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.974 2.921 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.095 3.129 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.815 4.433 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.649 2.798 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.893 1.319 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.035 2.981 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.459 1.914 0.863 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.175 5.215 -3.009 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.289 6.155 -3.078 1.00 0.00 C ATOM 1227 C GLU A 156 -11.776 6.525 -1.681 1.00 0.00 C ATOM 1228 O GLU A 156 -11.506 7.663 -1.243 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.440 5.555 -3.887 1.00 0.00 C ATOM 1230 CG GLU A 156 -12.834 6.389 -5.094 1.00 0.00 C ATOM 1231 CD GLU A 156 -13.745 7.544 -4.732 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -14.118 7.657 -3.546 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -14.087 8.338 -5.634 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.425 5.674 -1.037 1.00 0.00 O ATOM 0 H GLU A 156 -10.381 4.289 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.937 7.060 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.156 4.557 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -13.308 5.438 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -11.935 6.777 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.334 5.752 -5.824 1.00 0.00 H new