USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 417 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 95 LYS NZ :NH3+ 161:sc= -0.257 (180deg=-0.504) USER MOD Single : A 100 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.7!) USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 1.16 (180deg=1.15) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -22:sc= -1.5! USER MOD Single : A 131 MET CE :methyl -178:sc= -0.139 (180deg=-0.147) USER MOD Single : A 132 LYS NZ :NH3+ 176:sc= 2.15 (180deg=1.95) USER MOD Single : A 139 ASN : amide:sc= -1.52 K(o=-1.5,f=-4.8!) USER MOD Single : A 148 MET CE :methyl 166:sc= -0.579 (180deg=-0.833) USER MOD Single : A 152 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -3.602 -12.309 -0.304 1.00 0.00 N ATOM 32 CA GLU A 89 -3.171 -11.351 0.758 1.00 0.00 C ATOM 33 C GLU A 89 -2.884 -9.896 0.241 1.00 0.00 C ATOM 34 O GLU A 89 -3.365 -8.913 0.829 1.00 0.00 O ATOM 35 CB GLU A 89 -1.973 -11.964 1.545 1.00 0.00 C ATOM 36 CG GLU A 89 -1.948 -11.671 3.071 1.00 0.00 C ATOM 37 CD GLU A 89 -1.865 -10.217 3.518 1.00 0.00 C ATOM 38 OE1 GLU A 89 -0.786 -9.602 3.377 1.00 0.00 O ATOM 39 OE2 GLU A 89 -2.870 -9.699 4.050 1.00 0.00 O ATOM 0 HA GLU A 89 -4.012 -11.214 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.983 -13.044 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.046 -11.593 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.847 -12.104 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.097 -12.201 3.499 1.00 0.00 H new ATOM 46 N ILE A 90 -2.169 -9.782 -0.903 1.00 0.00 N ATOM 47 CA ILE A 90 -1.855 -8.472 -1.519 1.00 0.00 C ATOM 48 C ILE A 90 -3.136 -7.806 -2.094 1.00 0.00 C ATOM 49 O ILE A 90 -3.339 -6.633 -1.757 1.00 0.00 O ATOM 50 CB ILE A 90 -0.747 -8.470 -2.627 1.00 0.00 C ATOM 51 CG1 ILE A 90 0.580 -9.273 -2.472 1.00 0.00 C ATOM 52 CG2 ILE A 90 -0.385 -6.995 -2.872 1.00 0.00 C ATOM 53 CD1 ILE A 90 1.304 -9.645 -3.774 1.00 0.00 C ATOM 0 H ILE A 90 -1.799 -10.581 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.441 -7.901 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.222 -9.024 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.263 -8.690 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.363 -10.191 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.387 -6.932 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.271 -6.453 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.014 -6.553 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.212 -10.201 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.650 -10.262 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.565 -8.737 -4.318 1.00 0.00 H new ATOM 65 N LEU A 91 -3.960 -8.469 -2.956 1.00 0.00 N ATOM 66 CA LEU A 91 -5.222 -7.838 -3.447 1.00 0.00 C ATOM 67 C LEU A 91 -6.091 -7.418 -2.213 1.00 0.00 C ATOM 68 O LEU A 91 -6.489 -6.268 -2.161 1.00 0.00 O ATOM 69 CB LEU A 91 -5.958 -8.696 -4.521 1.00 0.00 C ATOM 70 CG LEU A 91 -6.812 -9.937 -4.113 1.00 0.00 C ATOM 71 CD1 LEU A 91 -8.264 -9.586 -3.710 1.00 0.00 C ATOM 72 CD2 LEU A 91 -6.870 -10.977 -5.249 1.00 0.00 C ATOM 0 H LEU A 91 -3.783 -9.407 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.987 -6.928 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.616 -8.023 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.201 -9.046 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.305 -10.348 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.797 -10.497 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.251 -8.907 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.769 -9.106 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.472 -11.829 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.318 -10.525 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.861 -11.314 -5.485 1.00 0.00 H new ATOM 84 N ARG A 92 -6.246 -8.243 -1.152 1.00 0.00 N ATOM 85 CA ARG A 92 -6.988 -7.873 0.084 1.00 0.00 C ATOM 86 C ARG A 92 -6.456 -6.546 0.736 1.00 0.00 C ATOM 87 O ARG A 92 -7.250 -5.622 0.955 1.00 0.00 O ATOM 88 CB ARG A 92 -6.965 -9.113 1.026 1.00 0.00 C ATOM 89 CG ARG A 92 -8.099 -9.228 2.076 1.00 0.00 C ATOM 90 CD ARG A 92 -9.532 -9.377 1.518 1.00 0.00 C ATOM 91 NE ARG A 92 -9.676 -10.565 0.620 1.00 0.00 N ATOM 92 CZ ARG A 92 -10.638 -10.744 -0.282 1.00 0.00 C ATOM 93 NH1 ARG A 92 -11.661 -9.937 -0.416 1.00 0.00 N ATOM 94 NH2 ARG A 92 -10.571 -11.773 -1.073 1.00 0.00 N ATOM 0 H ARG A 92 -5.861 -9.187 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.025 -7.629 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.988 -10.009 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.013 -9.116 1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.889 -10.086 2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.069 -8.343 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.234 -9.465 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.800 -8.475 0.968 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.976 -11.302 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.750 -9.121 0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.369 -10.125 -1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.791 -12.426 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.298 -11.928 -1.771 1.00 0.00 H new ATOM 108 N ALA A 93 -5.119 -6.426 0.929 1.00 0.00 N ATOM 109 CA ALA A 93 -4.485 -5.216 1.498 1.00 0.00 C ATOM 110 C ALA A 93 -4.597 -3.946 0.609 1.00 0.00 C ATOM 111 O ALA A 93 -5.142 -2.968 1.128 1.00 0.00 O ATOM 112 CB ALA A 93 -3.032 -5.549 1.883 1.00 0.00 C ATOM 0 H ALA A 93 -4.454 -7.164 0.695 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.046 -4.942 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.555 -4.664 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.026 -6.350 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.485 -5.869 0.996 1.00 0.00 H new ATOM 118 N PHE A 94 -4.141 -3.909 -0.675 1.00 0.00 N ATOM 119 CA PHE A 94 -4.312 -2.669 -1.517 1.00 0.00 C ATOM 120 C PHE A 94 -5.799 -2.341 -1.805 1.00 0.00 C ATOM 121 O PHE A 94 -6.163 -1.169 -1.778 1.00 0.00 O ATOM 122 CB PHE A 94 -3.625 -2.677 -2.911 1.00 0.00 C ATOM 123 CG PHE A 94 -3.285 -1.291 -3.523 1.00 0.00 C ATOM 124 CD1 PHE A 94 -4.244 -0.630 -4.287 1.00 0.00 C ATOM 125 CD2 PHE A 94 -2.040 -0.676 -3.347 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.961 0.593 -4.876 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.711 0.490 -4.031 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.685 1.138 -4.790 1.00 0.00 C ATOM 0 H PHE A 94 -3.670 -4.684 -1.143 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.825 -1.927 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.702 -3.251 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.273 -3.208 -3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.219 -1.075 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.323 -1.114 -2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.737 1.126 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.709 0.890 -3.975 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.450 2.056 -5.307 1.00 0.00 H new ATOM 138 N LYS A 95 -6.622 -3.356 -2.122 1.00 0.00 N ATOM 139 CA LYS A 95 -8.071 -3.192 -2.404 1.00 0.00 C ATOM 140 C LYS A 95 -8.831 -2.641 -1.137 1.00 0.00 C ATOM 141 O LYS A 95 -9.804 -1.906 -1.328 1.00 0.00 O ATOM 142 CB LYS A 95 -8.556 -4.500 -3.106 1.00 0.00 C ATOM 143 CG LYS A 95 -7.721 -4.943 -4.384 1.00 0.00 C ATOM 144 CD LYS A 95 -8.016 -4.052 -5.608 1.00 0.00 C ATOM 145 CE LYS A 95 -6.962 -2.939 -5.733 1.00 0.00 C ATOM 146 NZ LYS A 95 -7.535 -1.731 -6.384 1.00 0.00 N ATOM 0 H LYS A 95 -6.304 -4.323 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.312 -2.405 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.532 -5.312 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.597 -4.368 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.657 -4.900 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.953 -5.980 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.021 -4.659 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.009 -3.612 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.584 -2.679 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.113 -3.301 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.936 -0.907 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.575 -1.877 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.495 -1.563 -6.020 1.00 0.00 H new ATOM 160 N VAL A 96 -8.390 -2.943 0.121 1.00 0.00 N ATOM 161 CA VAL A 96 -8.923 -2.276 1.347 1.00 0.00 C ATOM 162 C VAL A 96 -8.393 -0.809 1.377 1.00 0.00 C ATOM 163 O VAL A 96 -9.180 0.121 1.577 1.00 0.00 O ATOM 164 CB VAL A 96 -8.505 -3.006 2.682 1.00 0.00 C ATOM 165 CG1 VAL A 96 -8.501 -2.188 4.009 1.00 0.00 C ATOM 166 CG2 VAL A 96 -9.456 -4.156 2.884 1.00 0.00 C ATOM 0 H VAL A 96 -7.670 -3.641 0.311 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.011 -2.311 1.296 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.460 -3.268 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.192 -2.832 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.806 -1.353 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.503 -1.806 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.197 -4.686 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.475 -3.776 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.386 -4.839 2.038 1.00 0.00 H new ATOM 176 N PHE A 97 -7.064 -0.636 1.201 1.00 0.00 N ATOM 177 CA PHE A 97 -6.398 0.669 1.248 1.00 0.00 C ATOM 178 C PHE A 97 -6.905 1.762 0.228 1.00 0.00 C ATOM 179 O PHE A 97 -6.976 2.940 0.585 1.00 0.00 O ATOM 180 CB PHE A 97 -4.869 0.389 1.171 1.00 0.00 C ATOM 181 CG PHE A 97 -4.071 1.293 2.106 1.00 0.00 C ATOM 182 CD1 PHE A 97 -3.978 2.651 1.817 1.00 0.00 C ATOM 183 CD2 PHE A 97 -3.573 0.810 3.326 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.436 3.522 2.736 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.018 1.694 4.251 1.00 0.00 C ATOM 186 CZ PHE A 97 -2.968 3.053 3.960 1.00 0.00 C ATOM 0 H PHE A 97 -6.425 -1.410 1.021 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.665 1.156 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.679 -0.654 1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.526 0.534 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.333 3.024 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.620 -0.246 3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.374 4.575 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.629 1.325 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.566 3.745 4.685 1.00 0.00 H new ATOM 196 N ASP A 98 -7.245 1.344 -1.008 1.00 0.00 N ATOM 197 CA ASP A 98 -7.819 2.140 -2.133 1.00 0.00 C ATOM 198 C ASP A 98 -9.185 2.780 -1.695 1.00 0.00 C ATOM 199 O ASP A 98 -10.236 2.134 -1.809 1.00 0.00 O ATOM 200 CB ASP A 98 -7.856 1.047 -3.248 1.00 0.00 C ATOM 201 CG ASP A 98 -8.627 1.242 -4.536 1.00 0.00 C ATOM 202 OD1 ASP A 98 -8.705 2.394 -5.045 1.00 0.00 O ATOM 203 OD2 ASP A 98 -9.158 0.257 -5.066 1.00 0.00 O ATOM 0 H ASP A 98 -7.119 0.368 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.276 3.022 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.821 0.848 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.241 0.139 -2.785 1.00 0.00 H new ATOM 208 N ALA A 99 -9.169 4.022 -1.134 1.00 0.00 N ATOM 209 CA ALA A 99 -10.424 4.709 -0.691 1.00 0.00 C ATOM 210 C ALA A 99 -11.344 5.081 -1.892 1.00 0.00 C ATOM 211 O ALA A 99 -12.538 4.769 -1.864 1.00 0.00 O ATOM 212 CB ALA A 99 -10.099 5.911 0.208 1.00 0.00 C ATOM 0 H ALA A 99 -8.318 4.563 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.998 4.005 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.025 6.395 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.555 5.570 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.485 6.623 -0.344 1.00 0.00 H new ATOM 218 N ASN A 100 -10.756 5.719 -2.929 1.00 0.00 N ATOM 219 CA ASN A 100 -11.449 6.067 -4.213 1.00 0.00 C ATOM 220 C ASN A 100 -12.267 4.890 -4.889 1.00 0.00 C ATOM 221 O ASN A 100 -13.206 5.209 -5.627 1.00 0.00 O ATOM 222 CB ASN A 100 -10.419 6.711 -5.225 1.00 0.00 C ATOM 223 CG ASN A 100 -10.713 6.671 -6.750 1.00 0.00 C ATOM 224 OD1 ASN A 100 -10.182 5.790 -7.427 1.00 0.00 O ATOM 225 ND2 ASN A 100 -11.562 7.520 -7.325 1.00 0.00 N ATOM 0 H ASN A 100 -9.780 6.014 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.215 6.794 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.297 7.757 -4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -9.457 6.223 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.769 7.438 -8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.005 8.252 -6.770 1.00 0.00 H new ATOM 232 N GLY A 101 -11.968 3.586 -4.667 1.00 0.00 N ATOM 233 CA GLY A 101 -12.689 2.482 -5.355 1.00 0.00 C ATOM 234 C GLY A 101 -12.227 2.130 -6.803 1.00 0.00 C ATOM 235 O GLY A 101 -12.897 1.334 -7.465 1.00 0.00 O ATOM 0 H GLY A 101 -11.240 3.273 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.598 1.585 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.748 2.739 -5.390 1.00 0.00 H new ATOM 239 N ASP A 102 -11.109 2.705 -7.286 1.00 0.00 N ATOM 240 CA ASP A 102 -10.493 2.435 -8.597 1.00 0.00 C ATOM 241 C ASP A 102 -8.977 2.335 -8.370 1.00 0.00 C ATOM 242 O ASP A 102 -8.541 3.385 -7.890 1.00 0.00 O ATOM 243 CB ASP A 102 -10.739 3.530 -9.709 1.00 0.00 C ATOM 244 CG ASP A 102 -9.576 4.023 -10.659 1.00 0.00 C ATOM 245 OD1 ASP A 102 -8.413 4.287 -10.210 1.00 0.00 O ATOM 246 OD2 ASP A 102 -9.847 4.131 -11.874 1.00 0.00 O ATOM 0 H ASP A 102 -10.589 3.400 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.957 1.523 -8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.535 3.154 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.129 4.413 -9.202 1.00 0.00 H new ATOM 251 N GLY A 103 -8.335 1.230 -8.021 1.00 0.00 N ATOM 252 CA GLY A 103 -6.860 1.139 -8.205 1.00 0.00 C ATOM 253 C GLY A 103 -5.734 2.047 -7.711 1.00 0.00 C ATOM 254 O GLY A 103 -4.589 1.590 -7.683 1.00 0.00 O ATOM 0 H GLY A 103 -8.776 0.401 -7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.600 0.153 -7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.724 1.105 -9.286 1.00 0.00 H new ATOM 258 N VAL A 104 -6.024 3.327 -7.454 1.00 0.00 N ATOM 259 CA VAL A 104 -5.007 4.310 -7.003 1.00 0.00 C ATOM 260 C VAL A 104 -5.265 4.830 -5.542 1.00 0.00 C ATOM 261 O VAL A 104 -6.395 4.898 -5.047 1.00 0.00 O ATOM 262 CB VAL A 104 -4.868 5.410 -8.109 1.00 0.00 C ATOM 263 CG1 VAL A 104 -5.961 6.493 -8.044 1.00 0.00 C ATOM 264 CG2 VAL A 104 -3.441 5.752 -8.569 1.00 0.00 C ATOM 0 H VAL A 104 -6.961 3.719 -7.549 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.032 3.834 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.140 4.940 -9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.800 7.220 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.940 6.030 -8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.917 6.996 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.481 6.526 -9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.861 6.113 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.967 4.860 -8.979 1.00 0.00 H new ATOM 274 N ILE A 105 -4.147 5.205 -4.901 1.00 0.00 N ATOM 275 CA ILE A 105 -4.078 5.730 -3.495 1.00 0.00 C ATOM 276 C ILE A 105 -3.268 7.063 -3.426 1.00 0.00 C ATOM 277 O ILE A 105 -2.163 7.125 -3.955 1.00 0.00 O ATOM 278 CB ILE A 105 -3.372 4.734 -2.485 1.00 0.00 C ATOM 279 CG1 ILE A 105 -4.069 3.355 -2.351 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.202 5.298 -1.031 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.159 2.285 -1.728 1.00 0.00 C ATOM 0 H ILE A 105 -3.230 5.157 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.120 5.871 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.395 4.611 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.965 3.464 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.394 3.020 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.710 4.552 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.596 6.203 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.182 5.531 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.701 1.342 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.275 2.151 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.855 2.602 -0.730 1.00 0.00 H new ATOM 293 N ASP A 106 -3.760 8.069 -2.676 1.00 0.00 N ATOM 294 CA ASP A 106 -3.042 9.360 -2.428 1.00 0.00 C ATOM 295 C ASP A 106 -2.699 9.505 -0.883 1.00 0.00 C ATOM 296 O ASP A 106 -2.978 8.599 -0.085 1.00 0.00 O ATOM 297 CB ASP A 106 -3.855 10.489 -3.092 1.00 0.00 C ATOM 298 CG ASP A 106 -3.305 11.909 -2.995 1.00 0.00 C ATOM 299 OD1 ASP A 106 -2.294 12.204 -3.667 1.00 0.00 O ATOM 300 OD2 ASP A 106 -3.858 12.718 -2.223 1.00 0.00 O ATOM 0 H ASP A 106 -4.670 8.020 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.058 9.408 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.968 10.244 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.854 10.485 -2.655 1.00 0.00 H new ATOM 305 N PHE A 107 -2.086 10.629 -0.438 1.00 0.00 N ATOM 306 CA PHE A 107 -1.658 10.826 0.976 1.00 0.00 C ATOM 307 C PHE A 107 -2.789 11.114 2.020 1.00 0.00 C ATOM 308 O PHE A 107 -2.768 10.467 3.070 1.00 0.00 O ATOM 309 CB PHE A 107 -0.492 11.863 1.050 1.00 0.00 C ATOM 310 CG PHE A 107 0.680 11.469 2.002 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.482 11.286 3.380 1.00 0.00 C ATOM 312 CD2 PHE A 107 1.956 11.220 1.473 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.518 10.842 4.198 1.00 0.00 C ATOM 314 CE2 PHE A 107 2.993 10.778 2.294 1.00 0.00 C ATOM 315 CZ PHE A 107 2.771 10.585 3.653 1.00 0.00 C ATOM 0 H PHE A 107 -1.874 11.423 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.299 9.848 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.092 12.010 0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.898 12.821 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.486 11.492 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.137 11.372 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.348 10.697 5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.969 10.585 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.573 10.235 4.286 1.00 0.00 H new ATOM 325 N ASP A 108 -3.764 12.031 1.797 1.00 0.00 N ATOM 326 CA ASP A 108 -4.863 12.290 2.805 1.00 0.00 C ATOM 327 C ASP A 108 -5.767 11.027 3.091 1.00 0.00 C ATOM 328 O ASP A 108 -6.041 10.727 4.269 1.00 0.00 O ATOM 329 CB ASP A 108 -5.666 13.578 2.472 1.00 0.00 C ATOM 330 CG ASP A 108 -4.849 14.855 2.705 1.00 0.00 C ATOM 331 OD1 ASP A 108 -4.615 15.211 3.885 1.00 0.00 O ATOM 332 OD2 ASP A 108 -4.378 15.476 1.735 1.00 0.00 O ATOM 0 H ASP A 108 -3.826 12.600 0.953 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.369 12.483 3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.990 13.542 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.567 13.610 3.085 1.00 0.00 H new ATOM 337 N GLU A 109 -6.171 10.248 2.052 1.00 0.00 N ATOM 338 CA GLU A 109 -6.908 8.952 2.249 1.00 0.00 C ATOM 339 C GLU A 109 -6.101 7.956 3.175 1.00 0.00 C ATOM 340 O GLU A 109 -6.661 7.274 4.046 1.00 0.00 O ATOM 341 CB GLU A 109 -7.192 8.214 0.902 1.00 0.00 C ATOM 342 CG GLU A 109 -7.957 8.927 -0.240 1.00 0.00 C ATOM 343 CD GLU A 109 -9.223 9.698 0.123 1.00 0.00 C ATOM 344 OE1 GLU A 109 -10.113 9.132 0.791 1.00 0.00 O ATOM 345 OE2 GLU A 109 -9.342 10.867 -0.297 1.00 0.00 O ATOM 0 H GLU A 109 -6.005 10.485 1.074 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.852 9.229 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.229 7.901 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.746 7.307 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.269 9.622 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.224 8.176 -0.984 1.00 0.00 H new ATOM 352 N PHE A 110 -4.760 7.938 2.957 1.00 0.00 N ATOM 353 CA PHE A 110 -3.782 7.129 3.733 1.00 0.00 C ATOM 354 C PHE A 110 -3.782 7.607 5.230 1.00 0.00 C ATOM 355 O PHE A 110 -3.849 6.756 6.117 1.00 0.00 O ATOM 356 CB PHE A 110 -2.374 7.268 3.055 1.00 0.00 C ATOM 357 CG PHE A 110 -1.328 6.174 3.309 1.00 0.00 C ATOM 358 CD1 PHE A 110 -0.881 5.911 4.608 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.816 5.418 2.247 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.012 4.878 4.852 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.053 4.359 2.495 1.00 0.00 C ATOM 362 CZ PHE A 110 0.464 4.093 3.797 1.00 0.00 C ATOM 0 H PHE A 110 -4.320 8.495 2.224 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.053 6.073 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.530 7.334 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.945 8.218 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.234 6.518 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.096 5.657 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.355 4.684 5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.407 3.746 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.138 3.272 3.990 1.00 0.00 H new ATOM 372 N LYS A 111 -3.732 8.945 5.496 1.00 0.00 N ATOM 373 CA LYS A 111 -3.840 9.527 6.870 1.00 0.00 C ATOM 374 C LYS A 111 -5.122 9.024 7.611 1.00 0.00 C ATOM 375 O LYS A 111 -5.015 8.519 8.730 1.00 0.00 O ATOM 376 CB LYS A 111 -3.816 11.085 6.830 1.00 0.00 C ATOM 377 CG LYS A 111 -2.519 11.756 6.322 1.00 0.00 C ATOM 378 CD LYS A 111 -2.704 13.282 6.139 1.00 0.00 C ATOM 379 CE LYS A 111 -1.735 13.894 5.109 1.00 0.00 C ATOM 380 NZ LYS A 111 -2.173 15.275 4.786 1.00 0.00 N ATOM 0 H LYS A 111 -3.616 9.649 4.767 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.970 9.184 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.640 11.420 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.015 11.452 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.710 11.569 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.224 11.308 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.729 13.482 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.561 13.776 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.721 13.906 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.715 13.285 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.531 15.686 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.140 15.252 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.155 15.856 5.649 1.00 0.00 H new ATOM 394 N PHE A 112 -6.306 9.124 6.969 1.00 0.00 N ATOM 395 CA PHE A 112 -7.585 8.613 7.533 1.00 0.00 C ATOM 396 C PHE A 112 -7.559 7.075 7.869 1.00 0.00 C ATOM 397 O PHE A 112 -7.855 6.699 9.004 1.00 0.00 O ATOM 398 CB PHE A 112 -8.689 8.989 6.489 1.00 0.00 C ATOM 399 CG PHE A 112 -10.079 8.349 6.658 1.00 0.00 C ATOM 400 CD1 PHE A 112 -10.981 8.842 7.600 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.432 7.231 5.887 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.229 8.246 7.761 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.675 6.631 6.055 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.576 7.137 6.987 1.00 0.00 C ATOM 0 H PHE A 112 -6.408 9.557 6.051 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.784 9.071 8.502 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.813 10.072 6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.317 8.728 5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.710 9.692 8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.737 6.836 5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.928 8.641 8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -11.942 5.770 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.543 6.672 7.112 1.00 0.00 H new ATOM 414 N ILE A 113 -7.194 6.226 6.885 1.00 0.00 N ATOM 415 CA ILE A 113 -7.193 4.736 7.021 1.00 0.00 C ATOM 416 C ILE A 113 -6.081 4.047 7.866 1.00 0.00 C ATOM 417 O ILE A 113 -6.329 2.967 8.413 1.00 0.00 O ATOM 418 CB ILE A 113 -7.326 4.152 5.561 1.00 0.00 C ATOM 419 CG1 ILE A 113 -8.353 2.984 5.544 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.010 3.794 4.856 1.00 0.00 C ATOM 421 CD1 ILE A 113 -8.783 2.477 4.159 1.00 0.00 C ATOM 0 H ILE A 113 -6.889 6.547 5.966 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.041 4.489 7.659 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.702 4.974 4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.929 2.147 6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.244 3.304 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.225 3.403 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.389 4.686 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.480 3.039 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.499 1.664 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.246 3.291 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.909 2.116 3.616 1.00 0.00 H new ATOM 433 N MET A 114 -4.885 4.646 7.944 1.00 0.00 N ATOM 434 CA MET A 114 -3.732 4.134 8.752 1.00 0.00 C ATOM 435 C MET A 114 -4.092 3.747 10.219 1.00 0.00 C ATOM 436 O MET A 114 -3.737 2.656 10.675 1.00 0.00 O ATOM 437 CB MET A 114 -2.630 5.235 8.759 1.00 0.00 C ATOM 438 CG MET A 114 -1.344 4.952 9.562 1.00 0.00 C ATOM 439 SD MET A 114 -0.163 4.051 8.535 1.00 0.00 S ATOM 440 CE MET A 114 -0.315 2.366 9.151 1.00 0.00 C ATOM 0 H MET A 114 -4.672 5.511 7.448 1.00 0.00 H new ATOM 0 HA MET A 114 -3.394 3.210 8.283 1.00 0.00 H new ATOM 0 HB2 MET A 114 -2.345 5.431 7.726 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.074 6.152 9.147 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.903 5.889 9.901 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.582 4.371 10.453 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.362 1.714 8.599 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.059 2.341 10.210 1.00 0.00 H new ATOM 0 HE3 MET A 114 -1.340 2.021 9.018 1.00 0.00 H new ATOM 575 N THR A 123 0.388 8.511 15.947 1.00 0.00 N ATOM 576 CA THR A 123 1.840 8.300 15.816 1.00 0.00 C ATOM 577 C THR A 123 2.083 8.598 14.307 1.00 0.00 C ATOM 578 O THR A 123 1.594 7.922 13.393 1.00 0.00 O ATOM 579 CB THR A 123 2.423 6.903 16.086 1.00 0.00 C ATOM 580 OG1 THR A 123 1.564 5.877 15.645 1.00 0.00 O ATOM 581 CG2 THR A 123 2.647 6.522 17.525 1.00 0.00 C ATOM 0 HA THR A 123 2.324 8.917 16.573 1.00 0.00 H new ATOM 0 HB THR A 123 3.373 6.985 15.558 1.00 0.00 H new ATOM 0 HG1 THR A 123 0.648 6.221 15.584 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.060 5.515 17.575 1.00 0.00 H new ATOM 0 HG22 THR A 123 3.344 7.223 17.983 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.698 6.552 18.061 1.00 0.00 H new ATOM 589 N ASP A 124 2.862 9.645 14.090 1.00 0.00 N ATOM 590 CA ASP A 124 3.280 10.073 12.724 1.00 0.00 C ATOM 591 C ASP A 124 4.241 9.101 11.968 1.00 0.00 C ATOM 592 O ASP A 124 4.161 8.935 10.744 1.00 0.00 O ATOM 593 CB ASP A 124 3.839 11.503 12.827 1.00 0.00 C ATOM 594 CG ASP A 124 5.119 11.766 13.628 1.00 0.00 C ATOM 595 OD1 ASP A 124 5.046 11.834 14.874 1.00 0.00 O ATOM 596 OD2 ASP A 124 6.195 11.904 13.011 1.00 0.00 O ATOM 0 H ASP A 124 3.232 10.233 14.837 1.00 0.00 H new ATOM 0 HA ASP A 124 2.393 10.048 12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.013 11.858 11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 124 3.055 12.128 13.253 1.00 0.00 H new ATOM 601 N ALA A 125 5.117 8.465 12.761 1.00 0.00 N ATOM 602 CA ALA A 125 6.082 7.450 12.303 1.00 0.00 C ATOM 603 C ALA A 125 5.412 6.238 11.606 1.00 0.00 C ATOM 604 O ALA A 125 5.986 5.780 10.621 1.00 0.00 O ATOM 605 CB ALA A 125 6.954 7.028 13.496 1.00 0.00 C ATOM 0 H ALA A 125 5.176 8.646 13.763 1.00 0.00 H new ATOM 0 HA ALA A 125 6.711 7.895 11.532 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.674 6.276 13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.486 7.897 13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.321 6.611 14.280 1.00 0.00 H new ATOM 611 N GLU A 126 4.238 5.719 12.058 1.00 0.00 N ATOM 612 CA GLU A 126 3.546 4.609 11.354 1.00 0.00 C ATOM 613 C GLU A 126 2.974 5.048 9.957 1.00 0.00 C ATOM 614 O GLU A 126 3.101 4.270 9.005 1.00 0.00 O ATOM 615 CB GLU A 126 2.512 3.944 12.303 1.00 0.00 C ATOM 616 CG GLU A 126 1.305 4.760 12.791 1.00 0.00 C ATOM 617 CD GLU A 126 0.162 3.931 13.389 1.00 0.00 C ATOM 618 OE1 GLU A 126 -0.313 2.985 12.728 1.00 0.00 O ATOM 619 OE2 GLU A 126 -0.300 4.229 14.512 1.00 0.00 O ATOM 0 H GLU A 126 3.758 6.048 12.896 1.00 0.00 H new ATOM 0 HA GLU A 126 4.273 3.837 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.126 3.059 11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.052 3.598 13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.647 5.474 13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.915 5.339 11.954 1.00 0.00 H new ATOM 626 N VAL A 127 2.404 6.283 9.828 1.00 0.00 N ATOM 627 CA VAL A 127 1.877 6.811 8.537 1.00 0.00 C ATOM 628 C VAL A 127 3.012 7.142 7.527 1.00 0.00 C ATOM 629 O VAL A 127 2.946 6.663 6.379 1.00 0.00 O ATOM 630 CB VAL A 127 0.812 7.964 8.807 1.00 0.00 C ATOM 631 CG1 VAL A 127 1.133 9.482 8.904 1.00 0.00 C ATOM 632 CG2 VAL A 127 -0.301 7.897 7.746 1.00 0.00 C ATOM 0 H VAL A 127 2.299 6.932 10.608 1.00 0.00 H new ATOM 0 HA VAL A 127 1.321 6.029 8.019 1.00 0.00 H new ATOM 0 HB VAL A 127 0.614 7.692 9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 127 0.214 10.037 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 127 1.836 9.654 9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.574 9.821 7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.029 8.687 7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.133 8.030 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -0.796 6.927 7.799 1.00 0.00 H new ATOM 642 N GLU A 128 4.071 7.880 7.952 1.00 0.00 N ATOM 643 CA GLU A 128 5.223 8.179 7.069 1.00 0.00 C ATOM 644 C GLU A 128 5.991 6.856 6.747 1.00 0.00 C ATOM 645 O GLU A 128 6.173 6.597 5.561 1.00 0.00 O ATOM 646 CB GLU A 128 6.034 9.351 7.689 1.00 0.00 C ATOM 647 CG GLU A 128 7.363 9.737 6.983 1.00 0.00 C ATOM 648 CD GLU A 128 8.568 8.824 7.227 1.00 0.00 C ATOM 649 OE1 GLU A 128 8.876 8.489 8.395 1.00 0.00 O ATOM 650 OE2 GLU A 128 9.218 8.397 6.245 1.00 0.00 O ATOM 0 H GLU A 128 4.148 8.274 8.890 1.00 0.00 H new ATOM 0 HA GLU A 128 4.929 8.546 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.393 10.232 7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.261 9.096 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.178 9.775 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.633 10.746 7.296 1.00 0.00 H new ATOM 657 N GLU A 129 6.365 5.983 7.714 1.00 0.00 N ATOM 658 CA GLU A 129 7.032 4.684 7.412 1.00 0.00 C ATOM 659 C GLU A 129 6.221 3.781 6.439 1.00 0.00 C ATOM 660 O GLU A 129 6.803 3.300 5.455 1.00 0.00 O ATOM 661 CB GLU A 129 7.405 3.928 8.716 1.00 0.00 C ATOM 662 CG GLU A 129 8.281 2.653 8.550 1.00 0.00 C ATOM 663 CD GLU A 129 9.680 2.829 8.001 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.295 3.899 8.190 1.00 0.00 O ATOM 665 OE2 GLU A 129 10.205 1.873 7.397 1.00 0.00 O ATOM 0 H GLU A 129 6.218 6.151 8.709 1.00 0.00 H new ATOM 0 HA GLU A 129 7.953 4.932 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.930 4.620 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.482 3.645 9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.361 2.172 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.748 1.963 7.896 1.00 0.00 H new ATOM 672 N ALA A 130 4.904 3.585 6.674 1.00 0.00 N ATOM 673 CA ALA A 130 4.079 2.767 5.763 1.00 0.00 C ATOM 674 C ALA A 130 3.974 3.342 4.324 1.00 0.00 C ATOM 675 O ALA A 130 4.171 2.563 3.376 1.00 0.00 O ATOM 676 CB ALA A 130 2.704 2.543 6.406 1.00 0.00 C ATOM 0 H ALA A 130 4.400 3.974 7.471 1.00 0.00 H new ATOM 0 HA ALA A 130 4.578 1.808 5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.086 1.940 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.827 2.025 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.221 3.505 6.577 1.00 0.00 H new ATOM 682 N MET A 131 3.711 4.670 4.134 1.00 0.00 N ATOM 683 CA MET A 131 3.642 5.223 2.748 1.00 0.00 C ATOM 684 C MET A 131 5.068 5.415 2.163 1.00 0.00 C ATOM 685 O MET A 131 5.198 5.208 0.968 1.00 0.00 O ATOM 686 CB MET A 131 2.785 6.485 2.592 1.00 0.00 C ATOM 687 CG MET A 131 2.275 6.684 1.150 1.00 0.00 C ATOM 688 SD MET A 131 1.118 8.056 1.001 1.00 0.00 S ATOM 689 CE MET A 131 0.739 7.908 -0.761 1.00 0.00 C ATOM 0 H MET A 131 3.551 5.346 4.881 1.00 0.00 H new ATOM 0 HA MET A 131 3.113 4.471 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.933 6.427 3.269 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.370 7.355 2.890 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.125 6.858 0.490 1.00 0.00 H new ATOM 0 HG3 MET A 131 1.791 5.768 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 131 0.056 8.705 -1.054 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.660 7.988 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 131 0.273 6.942 -0.953 1.00 0.00 H new ATOM 699 N LYS A 132 6.133 5.827 2.889 1.00 0.00 N ATOM 700 CA LYS A 132 7.526 5.852 2.330 1.00 0.00 C ATOM 701 C LYS A 132 7.945 4.409 1.867 1.00 0.00 C ATOM 702 O LYS A 132 8.706 4.295 0.905 1.00 0.00 O ATOM 703 CB LYS A 132 8.481 6.518 3.366 1.00 0.00 C ATOM 704 CG LYS A 132 10.019 6.301 3.339 1.00 0.00 C ATOM 705 CD LYS A 132 10.614 4.892 3.615 1.00 0.00 C ATOM 706 CE LYS A 132 9.916 4.063 4.711 1.00 0.00 C ATOM 707 NZ LYS A 132 10.624 2.762 4.936 1.00 0.00 N ATOM 0 H LYS A 132 6.067 6.146 3.856 1.00 0.00 H new ATOM 0 HA LYS A 132 7.585 6.466 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.316 7.593 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.139 6.206 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 132 10.373 6.615 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 132 10.455 6.984 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.590 4.322 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 132 11.662 5.010 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.890 4.632 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 132 8.882 3.873 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 10.174 2.254 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.568 2.183 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 11.622 2.945 5.166 1.00 0.00 H new ATOM 721 N GLU A 133 7.486 3.311 2.530 1.00 0.00 N ATOM 722 CA GLU A 133 7.783 1.936 2.085 1.00 0.00 C ATOM 723 C GLU A 133 6.957 1.585 0.805 1.00 0.00 C ATOM 724 O GLU A 133 7.565 1.014 -0.095 1.00 0.00 O ATOM 725 CB GLU A 133 7.572 0.913 3.234 1.00 0.00 C ATOM 726 CG GLU A 133 8.329 -0.429 3.033 1.00 0.00 C ATOM 727 CD GLU A 133 9.765 -0.449 3.537 1.00 0.00 C ATOM 728 OE1 GLU A 133 10.483 0.566 3.409 1.00 0.00 O ATOM 729 OE2 GLU A 133 10.185 -1.514 4.038 1.00 0.00 O ATOM 0 H GLU A 133 6.911 3.360 3.371 1.00 0.00 H new ATOM 0 HA GLU A 133 8.837 1.877 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.896 1.364 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.506 0.706 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 133 7.773 -1.219 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 133 8.331 -0.670 1.970 1.00 0.00 H new ATOM 736 N ALA A 134 5.637 1.920 0.738 1.00 0.00 N ATOM 737 CA ALA A 134 4.788 1.643 -0.462 1.00 0.00 C ATOM 738 C ALA A 134 4.888 2.636 -1.665 1.00 0.00 C ATOM 739 O ALA A 134 4.793 2.225 -2.824 1.00 0.00 O ATOM 740 CB ALA A 134 3.337 1.440 -0.032 1.00 0.00 C ATOM 0 H ALA A 134 5.137 2.381 1.498 1.00 0.00 H new ATOM 0 HA ALA A 134 5.211 0.730 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.722 1.239 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.276 0.596 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 134 2.976 2.340 0.465 1.00 0.00 H new ATOM 746 N ASP A 135 5.078 3.989 -1.517 1.00 0.00 N ATOM 747 CA ASP A 135 5.260 4.943 -2.679 1.00 0.00 C ATOM 748 C ASP A 135 6.778 5.006 -2.946 1.00 0.00 C ATOM 749 O ASP A 135 7.568 5.423 -2.087 1.00 0.00 O ATOM 750 CB ASP A 135 4.809 6.435 -2.506 1.00 0.00 C ATOM 751 CG ASP A 135 4.988 7.449 -3.724 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.068 7.014 -4.873 1.00 0.00 O ATOM 753 OD2 ASP A 135 4.988 8.653 -3.430 1.00 0.00 O ATOM 0 H ASP A 135 5.110 4.448 -0.607 1.00 0.00 H new ATOM 0 HA ASP A 135 4.619 4.540 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 135 3.753 6.429 -2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.353 6.845 -1.655 1.00 0.00 H new ATOM 758 N GLU A 136 7.166 4.619 -4.156 1.00 0.00 N ATOM 759 CA GLU A 136 8.611 4.693 -4.541 1.00 0.00 C ATOM 760 C GLU A 136 9.159 6.140 -4.860 1.00 0.00 C ATOM 761 O GLU A 136 10.328 6.436 -4.603 1.00 0.00 O ATOM 762 CB GLU A 136 8.816 3.665 -5.667 1.00 0.00 C ATOM 763 CG GLU A 136 8.396 2.232 -5.240 1.00 0.00 C ATOM 764 CD GLU A 136 8.890 1.131 -6.124 1.00 0.00 C ATOM 765 OE1 GLU A 136 10.029 1.186 -6.632 1.00 0.00 O ATOM 766 OE2 GLU A 136 8.149 0.143 -6.274 1.00 0.00 O ATOM 0 H GLU A 136 6.543 4.260 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 136 9.229 4.440 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.237 3.966 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.864 3.660 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.757 2.052 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.308 2.186 -5.204 1.00 0.00 H new ATOM 773 N ASP A 137 8.297 7.004 -5.418 1.00 0.00 N ATOM 774 CA ASP A 137 8.519 8.420 -5.800 1.00 0.00 C ATOM 775 C ASP A 137 7.121 8.648 -6.455 1.00 0.00 C ATOM 776 O ASP A 137 6.381 9.381 -5.801 1.00 0.00 O ATOM 777 CB ASP A 137 9.842 8.775 -6.538 1.00 0.00 C ATOM 778 CG ASP A 137 9.870 9.971 -7.518 1.00 0.00 C ATOM 779 OD1 ASP A 137 8.800 10.489 -7.927 1.00 0.00 O ATOM 780 OD2 ASP A 137 10.989 10.391 -7.881 1.00 0.00 O ATOM 0 H ASP A 137 7.344 6.712 -5.635 1.00 0.00 H new ATOM 0 HA ASP A 137 8.760 9.136 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 137 10.601 8.958 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 137 10.154 7.890 -7.093 1.00 0.00 H new ATOM 785 N GLY A 138 6.757 8.129 -7.673 1.00 0.00 N ATOM 786 CA GLY A 138 5.411 8.214 -8.291 1.00 0.00 C ATOM 787 C GLY A 138 4.578 9.474 -8.064 1.00 0.00 C ATOM 788 O GLY A 138 3.362 9.319 -7.976 1.00 0.00 O ATOM 0 H GLY A 138 7.422 7.626 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 138 5.533 8.088 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 138 4.829 7.364 -7.934 1.00 0.00 H new ATOM 792 N ASN A 139 5.212 10.665 -7.924 1.00 0.00 N ATOM 793 CA ASN A 139 4.527 11.927 -7.564 1.00 0.00 C ATOM 794 C ASN A 139 3.670 11.874 -6.223 1.00 0.00 C ATOM 795 O ASN A 139 2.864 12.798 -6.064 1.00 0.00 O ATOM 796 CB ASN A 139 3.766 12.486 -8.818 1.00 0.00 C ATOM 797 CG ASN A 139 2.285 12.091 -9.097 1.00 0.00 C ATOM 798 OD1 ASN A 139 1.712 11.246 -8.422 1.00 0.00 O ATOM 799 ND2 ASN A 139 1.560 12.641 -10.059 1.00 0.00 N ATOM 0 H ASN A 139 6.217 10.775 -8.059 1.00 0.00 H new ATOM 0 HA ASN A 139 5.294 12.652 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 139 3.800 13.574 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 139 4.344 12.200 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 139 0.591 12.352 -10.196 1.00 0.00 H new ATOM 0 HD22 ASN A 139 1.970 13.353 -10.663 1.00 0.00 H new ATOM 806 N GLY A 140 3.808 10.910 -5.245 1.00 0.00 N ATOM 807 CA GLY A 140 2.904 10.905 -4.057 1.00 0.00 C ATOM 808 C GLY A 140 1.633 10.015 -4.201 1.00 0.00 C ATOM 809 O GLY A 140 1.056 9.644 -3.183 1.00 0.00 O ATOM 0 H GLY A 140 4.504 10.165 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.470 10.566 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.591 11.929 -3.853 1.00 0.00 H new ATOM 813 N VAL A 141 1.187 9.703 -5.435 1.00 0.00 N ATOM 814 CA VAL A 141 0.027 8.792 -5.718 1.00 0.00 C ATOM 815 C VAL A 141 0.683 7.434 -6.094 1.00 0.00 C ATOM 816 O VAL A 141 1.751 7.326 -6.711 1.00 0.00 O ATOM 817 CB VAL A 141 -1.014 9.221 -6.831 1.00 0.00 C ATOM 818 CG1 VAL A 141 -2.444 8.734 -6.596 1.00 0.00 C ATOM 819 CG2 VAL A 141 -1.177 10.745 -7.004 1.00 0.00 C ATOM 0 H VAL A 141 1.618 10.074 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 141 -0.604 8.787 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 141 -0.563 8.753 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -3.083 9.077 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -2.456 7.645 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -2.814 9.133 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -1.909 10.946 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -1.519 11.183 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -0.219 11.184 -7.282 1.00 0.00 H new ATOM 829 N ILE A 142 -0.042 6.393 -5.706 1.00 0.00 N ATOM 830 CA ILE A 142 0.372 4.999 -5.888 1.00 0.00 C ATOM 831 C ILE A 142 -0.691 4.224 -6.691 1.00 0.00 C ATOM 832 O ILE A 142 -1.868 4.247 -6.344 1.00 0.00 O ATOM 833 CB ILE A 142 0.509 4.222 -4.529 1.00 0.00 C ATOM 834 CG1 ILE A 142 0.949 4.991 -3.247 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.487 3.061 -4.771 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.140 4.088 -2.018 1.00 0.00 C ATOM 0 H ILE A 142 -0.949 6.490 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 142 1.335 5.049 -6.397 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.514 3.936 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 142 1.883 5.514 -3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.202 5.751 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.612 2.492 -3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.091 2.408 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.452 3.458 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 142 1.446 4.694 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.201 3.584 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 142 1.908 3.344 -2.229 1.00 0.00 H new ATOM 848 N ASP A 143 -0.248 3.497 -7.710 1.00 0.00 N ATOM 849 CA ASP A 143 -1.091 2.554 -8.463 1.00 0.00 C ATOM 850 C ASP A 143 -0.785 1.148 -7.847 1.00 0.00 C ATOM 851 O ASP A 143 0.255 0.918 -7.201 1.00 0.00 O ATOM 852 CB ASP A 143 -0.854 2.710 -9.980 1.00 0.00 C ATOM 853 CG ASP A 143 0.533 2.461 -10.589 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.391 1.804 -9.955 1.00 0.00 O ATOM 855 OD2 ASP A 143 0.753 2.918 -11.731 1.00 0.00 O ATOM 0 H ASP A 143 0.714 3.540 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.162 2.736 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.550 2.039 -10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -1.143 3.727 -10.246 1.00 0.00 H new ATOM 860 N ILE A 144 -1.693 0.173 -8.015 1.00 0.00 N ATOM 861 CA ILE A 144 -1.476 -1.186 -7.445 1.00 0.00 C ATOM 862 C ILE A 144 -0.118 -1.848 -7.931 1.00 0.00 C ATOM 863 O ILE A 144 0.546 -2.387 -7.042 1.00 0.00 O ATOM 864 CB ILE A 144 -2.623 -2.233 -7.717 1.00 0.00 C ATOM 865 CG1 ILE A 144 -4.088 -1.769 -7.959 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.610 -3.372 -6.652 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.965 -2.868 -8.603 1.00 0.00 C ATOM 0 H ILE A 144 -2.568 0.285 -8.527 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.454 -0.976 -6.376 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.330 -2.563 -8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.530 -1.467 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -4.084 -0.890 -8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.412 -4.079 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.651 -3.890 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.758 -2.944 -5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.976 -2.488 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.542 -3.153 -9.567 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.995 -3.739 -7.949 1.00 0.00 H new ATOM 879 N PRO A 145 0.344 -1.842 -9.234 1.00 0.00 N ATOM 880 CA PRO A 145 1.632 -2.441 -9.668 1.00 0.00 C ATOM 881 C PRO A 145 2.892 -2.070 -8.852 1.00 0.00 C ATOM 882 O PRO A 145 3.720 -2.965 -8.681 1.00 0.00 O ATOM 883 CB PRO A 145 1.727 -2.118 -11.169 1.00 0.00 C ATOM 884 CG PRO A 145 0.267 -1.980 -11.599 1.00 0.00 C ATOM 885 CD PRO A 145 -0.365 -1.279 -10.398 1.00 0.00 C ATOM 0 HA PRO A 145 1.620 -3.513 -9.472 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.286 -1.199 -11.347 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.234 -2.911 -11.719 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.166 -1.392 -12.511 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -0.193 -2.949 -11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -0.238 -0.198 -10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -1.436 -1.472 -10.343 1.00 0.00 H new ATOM 893 N GLU A 146 3.062 -0.824 -8.327 1.00 0.00 N ATOM 894 CA GLU A 146 4.225 -0.498 -7.466 1.00 0.00 C ATOM 895 C GLU A 146 4.167 -1.291 -6.140 1.00 0.00 C ATOM 896 O GLU A 146 5.095 -2.058 -5.901 1.00 0.00 O ATOM 897 CB GLU A 146 4.259 1.026 -7.122 1.00 0.00 C ATOM 898 CG GLU A 146 4.757 2.019 -8.180 1.00 0.00 C ATOM 899 CD GLU A 146 6.132 1.825 -8.810 1.00 0.00 C ATOM 900 OE1 GLU A 146 6.376 0.789 -9.466 1.00 0.00 O ATOM 901 OE2 GLU A 146 6.960 2.753 -8.695 1.00 0.00 O ATOM 0 H GLU A 146 2.420 -0.046 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 146 5.121 -0.770 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.248 1.323 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 146 4.883 1.149 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 146 4.026 2.027 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 146 4.743 3.011 -7.728 1.00 0.00 H new ATOM 908 N PHE A 147 3.073 -1.187 -5.351 1.00 0.00 N ATOM 909 CA PHE A 147 2.940 -1.897 -4.046 1.00 0.00 C ATOM 910 C PHE A 147 3.135 -3.444 -4.140 1.00 0.00 C ATOM 911 O PHE A 147 3.916 -3.991 -3.353 1.00 0.00 O ATOM 912 CB PHE A 147 1.591 -1.460 -3.390 1.00 0.00 C ATOM 913 CG PHE A 147 1.003 -2.370 -2.288 1.00 0.00 C ATOM 914 CD1 PHE A 147 1.590 -2.466 -1.025 1.00 0.00 C ATOM 915 CD2 PHE A 147 -0.109 -3.168 -2.587 1.00 0.00 C ATOM 916 CE1 PHE A 147 1.046 -3.329 -0.068 1.00 0.00 C ATOM 917 CE2 PHE A 147 -0.693 -3.952 -1.600 1.00 0.00 C ATOM 918 CZ PHE A 147 -0.116 -4.041 -0.345 1.00 0.00 C ATOM 0 H PHE A 147 2.263 -0.616 -5.592 1.00 0.00 H new ATOM 0 HA PHE A 147 3.762 -1.600 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.730 -0.466 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 147 0.847 -1.367 -4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.462 -1.875 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -0.514 -3.174 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.531 -3.443 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -1.602 -4.495 -1.813 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.566 -4.661 0.416 1.00 0.00 H new ATOM 928 N MET A 148 2.444 -4.137 -5.072 1.00 0.00 N ATOM 929 CA MET A 148 2.623 -5.604 -5.229 1.00 0.00 C ATOM 930 C MET A 148 4.073 -5.953 -5.743 1.00 0.00 C ATOM 931 O MET A 148 4.664 -6.895 -5.193 1.00 0.00 O ATOM 932 CB MET A 148 1.456 -6.272 -5.985 1.00 0.00 C ATOM 933 CG MET A 148 0.609 -5.822 -7.186 1.00 0.00 C ATOM 934 SD MET A 148 -0.450 -7.240 -7.657 1.00 0.00 S ATOM 935 CE MET A 148 -1.140 -7.926 -6.104 1.00 0.00 C ATOM 0 H MET A 148 1.771 -3.719 -5.715 1.00 0.00 H new ATOM 0 HA MET A 148 2.564 -6.066 -4.243 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.862 -7.234 -6.297 1.00 0.00 H new ATOM 0 HB3 MET A 148 0.720 -6.474 -5.206 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.000 -4.956 -6.926 1.00 0.00 H new ATOM 0 HG3 MET A 148 1.247 -5.524 -8.018 1.00 0.00 H new ATOM 0 HE1 MET A 148 -1.961 -8.603 -6.339 1.00 0.00 H new ATOM 0 HE2 MET A 148 -0.362 -8.471 -5.569 1.00 0.00 H new ATOM 0 HE3 MET A 148 -1.508 -7.113 -5.479 1.00 0.00 H new ATOM 945 N ASP A 149 4.671 -5.210 -6.721 1.00 0.00 N ATOM 946 CA ASP A 149 6.107 -5.434 -7.124 1.00 0.00 C ATOM 947 C ASP A 149 7.149 -5.224 -5.956 1.00 0.00 C ATOM 948 O ASP A 149 8.174 -5.902 -5.867 1.00 0.00 O ATOM 949 CB ASP A 149 6.474 -4.537 -8.332 1.00 0.00 C ATOM 950 CG ASP A 149 7.730 -5.009 -9.067 1.00 0.00 C ATOM 951 OD1 ASP A 149 7.766 -6.182 -9.515 1.00 0.00 O ATOM 952 OD2 ASP A 149 8.696 -4.217 -9.148 1.00 0.00 O ATOM 0 H ASP A 149 4.201 -4.467 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 149 6.175 -6.486 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 149 5.637 -4.517 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.625 -3.515 -7.986 1.00 0.00 H new ATOM 957 N LEU A 150 6.833 -4.255 -5.092 1.00 0.00 N ATOM 958 CA LEU A 150 7.560 -3.859 -3.870 1.00 0.00 C ATOM 959 C LEU A 150 7.442 -4.979 -2.780 1.00 0.00 C ATOM 960 O LEU A 150 8.402 -5.162 -2.032 1.00 0.00 O ATOM 961 CB LEU A 150 6.937 -2.459 -3.665 1.00 0.00 C ATOM 962 CG LEU A 150 7.278 -1.517 -2.503 1.00 0.00 C ATOM 963 CD1 LEU A 150 6.801 -0.124 -2.979 1.00 0.00 C ATOM 964 CD2 LEU A 150 6.522 -1.935 -1.226 1.00 0.00 C ATOM 0 H LEU A 150 6.002 -3.681 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 150 8.647 -3.772 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 150 7.144 -1.900 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 150 5.859 -2.612 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 150 8.340 -1.533 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.007 0.615 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 150 7.330 0.149 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 150 5.729 -0.154 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 150 6.777 -1.255 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.448 -1.895 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 150 6.806 -2.951 -0.951 1.00 0.00 H new ATOM 976 N ILE A 151 6.307 -5.722 -2.656 1.00 0.00 N ATOM 977 CA ILE A 151 6.215 -6.919 -1.756 1.00 0.00 C ATOM 978 C ILE A 151 7.116 -8.042 -2.395 1.00 0.00 C ATOM 979 O ILE A 151 7.916 -8.636 -1.667 1.00 0.00 O ATOM 980 CB ILE A 151 4.754 -7.435 -1.487 1.00 0.00 C ATOM 981 CG1 ILE A 151 3.858 -6.369 -0.795 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.739 -8.740 -0.634 1.00 0.00 C ATOM 983 CD1 ILE A 151 2.355 -6.674 -0.814 1.00 0.00 C ATOM 0 H ILE A 151 5.445 -5.519 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 151 6.566 -6.630 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 151 4.342 -7.647 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.179 -6.264 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.024 -5.407 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.709 -9.058 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 151 5.284 -9.524 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.214 -8.551 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 151 1.815 -5.874 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 151 2.012 -6.747 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 151 2.169 -7.618 -0.302 1.00 0.00 H new ATOM 995 N LYS A 152 6.976 -8.325 -3.718 1.00 0.00 N ATOM 996 CA LYS A 152 7.815 -9.328 -4.440 1.00 0.00 C ATOM 997 C LYS A 152 9.372 -9.132 -4.252 1.00 0.00 C ATOM 998 O LYS A 152 10.057 -10.086 -3.867 1.00 0.00 O ATOM 999 CB LYS A 152 7.346 -9.292 -5.932 1.00 0.00 C ATOM 1000 CG LYS A 152 7.878 -10.414 -6.863 1.00 0.00 C ATOM 1001 CD LYS A 152 8.243 -9.977 -8.308 1.00 0.00 C ATOM 1002 CE LYS A 152 7.097 -9.828 -9.338 1.00 0.00 C ATOM 1003 NZ LYS A 152 6.467 -8.477 -9.278 1.00 0.00 N ATOM 0 H LYS A 152 6.284 -7.869 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 152 7.665 -10.320 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 152 6.257 -9.328 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 152 7.639 -8.332 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 152 8.763 -10.853 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 152 7.125 -11.200 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 152 8.761 -9.020 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 152 8.955 -10.700 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 152 7.486 -10.003 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 152 6.340 -10.590 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 5.838 -8.351 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 5.915 -8.390 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 7.208 -7.747 -9.295 1.00 0.00 H new