USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 MET CE :methyl -163:sc= -1.02 (180deg=-2.48!) USER MOD Set 1.2: A 85 GLN : amide:sc= -6.23! C(o=-7.3!,f=-8.8!) USER MOD Single : A 3 MET CE :methyl -173:sc= -0.16 (180deg=-0.292) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 7 GLN : amide:sc= -2.25! C(o=-2.2!,f=-5.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -178:sc= 0 (180deg=-0.00399) USER MOD Single : A 38 SER OG : rot 180:sc= -0.034 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.175) USER MOD Single : A 44 THR OG1 : rot 169:sc= 0.00235 USER MOD Single : A 48 MET CE :methyl 151:sc= -0.249 (180deg=-1.48!) USER MOD Single : A 51 GLN :FLIP amide:sc= -6.84! C(o=-9!,f=-6.8!) USER MOD Single : A 52 ASN : amide:sc= -2.39 X(o=-2.4,f=-2.5) USER MOD Single : A 54 THR OG1 : rot 139:sc= -2.29 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -36:sc= 0.268 USER MOD Single : A 81 MET CE :methyl 175:sc= -8.3! (180deg=-8.46!) USER MOD Single : A 82 MET CE :methyl 140:sc= -9.29! (180deg=-13.7!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.977 -6.567 -10.917 1.00 0.00 N ATOM 25 CA MET A 3 64.823 -5.504 -9.884 1.00 0.00 C ATOM 26 C MET A 3 63.436 -4.865 -9.992 1.00 0.00 C ATOM 27 O MET A 3 62.769 -4.635 -9.003 1.00 0.00 O ATOM 28 CB MET A 3 65.910 -4.481 -10.212 1.00 0.00 C ATOM 29 CG MET A 3 67.119 -4.711 -9.304 1.00 0.00 C ATOM 30 SD MET A 3 68.640 -4.407 -10.237 1.00 0.00 S ATOM 31 CE MET A 3 68.814 -2.655 -9.823 1.00 0.00 C ATOM 0 HA MET A 3 64.918 -5.891 -8.870 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.205 -4.571 -11.257 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.526 -3.470 -10.075 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.070 -4.047 -8.441 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.112 -5.732 -8.922 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.632 -2.224 -10.400 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.888 -2.131 -10.060 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.027 -2.552 -8.759 1.00 0.00 H new ATOM 41 N THR A 4 62.999 -4.578 -11.187 1.00 0.00 N ATOM 42 CA THR A 4 61.657 -3.955 -11.362 1.00 0.00 C ATOM 43 C THR A 4 60.588 -4.804 -10.670 1.00 0.00 C ATOM 44 O THR A 4 59.540 -4.315 -10.294 1.00 0.00 O ATOM 45 CB THR A 4 61.435 -3.927 -12.877 1.00 0.00 C ATOM 46 OG1 THR A 4 62.175 -2.852 -13.440 1.00 0.00 O ATOM 47 CG2 THR A 4 59.946 -3.737 -13.178 1.00 0.00 C ATOM 0 H THR A 4 63.514 -4.748 -12.051 1.00 0.00 H new ATOM 0 HA THR A 4 61.597 -2.959 -10.924 1.00 0.00 H new ATOM 0 HB THR A 4 61.770 -4.869 -13.310 1.00 0.00 H new ATOM 0 HG1 THR A 4 62.037 -2.832 -14.410 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.792 -3.718 -14.257 1.00 0.00 H new ATOM 0 HG22 THR A 4 59.379 -4.562 -12.746 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.605 -2.796 -12.746 1.00 0.00 H new ATOM 55 N ASP A 5 60.842 -6.072 -10.498 1.00 0.00 N ATOM 56 CA ASP A 5 59.839 -6.948 -9.828 1.00 0.00 C ATOM 57 C ASP A 5 59.944 -6.800 -8.308 1.00 0.00 C ATOM 58 O ASP A 5 58.952 -6.694 -7.615 1.00 0.00 O ATOM 59 CB ASP A 5 60.206 -8.370 -10.256 1.00 0.00 C ATOM 60 CG ASP A 5 58.943 -9.115 -10.690 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.099 -9.353 -9.842 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.843 -9.437 -11.862 1.00 0.00 O ATOM 0 H ASP A 5 61.700 -6.539 -10.792 1.00 0.00 H new ATOM 0 HA ASP A 5 58.816 -6.692 -10.103 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.923 -8.340 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.686 -8.897 -9.431 1.00 0.00 H new ATOM 67 N GLN A 6 61.141 -6.790 -7.786 1.00 0.00 N ATOM 68 CA GLN A 6 61.311 -6.647 -6.312 1.00 0.00 C ATOM 69 C GLN A 6 61.073 -5.194 -5.891 1.00 0.00 C ATOM 70 O GLN A 6 61.056 -4.871 -4.721 1.00 0.00 O ATOM 71 CB GLN A 6 62.759 -7.055 -6.039 1.00 0.00 C ATOM 72 CG GLN A 6 62.885 -7.566 -4.604 1.00 0.00 C ATOM 73 CD GLN A 6 62.640 -9.075 -4.575 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.388 -9.835 -5.157 1.00 0.00 O ATOM 75 NE2 GLN A 6 61.615 -9.546 -3.917 1.00 0.00 N ATOM 0 H GLN A 6 62.008 -6.875 -8.317 1.00 0.00 H new ATOM 0 HA GLN A 6 60.603 -7.259 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.068 -7.830 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.423 -6.204 -6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.877 -7.341 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.166 -7.058 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 6 60.986 -8.909 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 6 61.443 -10.551 -3.892 1.00 0.00 H new ATOM 84 N GLN A 7 60.890 -4.316 -6.839 1.00 0.00 N ATOM 85 CA GLN A 7 60.655 -2.884 -6.495 1.00 0.00 C ATOM 86 C GLN A 7 59.203 -2.676 -6.054 1.00 0.00 C ATOM 87 O GLN A 7 58.879 -1.712 -5.391 1.00 0.00 O ATOM 88 CB GLN A 7 60.936 -2.116 -7.789 1.00 0.00 C ATOM 89 CG GLN A 7 61.773 -0.872 -7.480 1.00 0.00 C ATOM 90 CD GLN A 7 61.538 0.184 -8.561 1.00 0.00 C ATOM 91 OE1 GLN A 7 61.711 1.363 -8.324 1.00 0.00 O ATOM 92 NE2 GLN A 7 61.146 -0.192 -9.749 1.00 0.00 N ATOM 0 H GLN A 7 60.893 -4.528 -7.837 1.00 0.00 H new ATOM 0 HA GLN A 7 61.288 -2.548 -5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.465 -2.756 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.998 -1.826 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.503 -0.473 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.830 -1.134 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.001 -1.182 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 7 60.985 0.504 -10.477 1.00 0.00 H new ATOM 101 N ALA A 8 58.329 -3.575 -6.418 1.00 0.00 N ATOM 102 CA ALA A 8 56.896 -3.434 -6.023 1.00 0.00 C ATOM 103 C ALA A 8 56.651 -4.096 -4.665 1.00 0.00 C ATOM 104 O ALA A 8 56.000 -3.544 -3.802 1.00 0.00 O ATOM 105 CB ALA A 8 56.111 -4.154 -7.119 1.00 0.00 C ATOM 0 H ALA A 8 58.545 -4.403 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 8 56.597 -2.390 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.045 -4.095 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.311 -3.681 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.416 -5.200 -7.158 1.00 0.00 H new ATOM 111 N GLU A 9 57.164 -5.279 -4.471 1.00 0.00 N ATOM 112 CA GLU A 9 56.957 -5.976 -3.170 1.00 0.00 C ATOM 113 C GLU A 9 57.973 -5.476 -2.139 1.00 0.00 C ATOM 114 O GLU A 9 57.977 -5.902 -1.002 1.00 0.00 O ATOM 115 CB GLU A 9 57.182 -7.458 -3.471 1.00 0.00 C ATOM 116 CG GLU A 9 55.929 -8.042 -4.125 1.00 0.00 C ATOM 117 CD GLU A 9 55.878 -9.551 -3.876 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.926 -10.175 -3.926 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.793 -10.056 -3.639 1.00 0.00 O ATOM 0 H GLU A 9 57.717 -5.793 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 9 55.965 -5.793 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 9 58.040 -7.579 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.409 -7.996 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.038 -7.565 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.937 -7.840 -5.196 1.00 0.00 H new ATOM 126 N ALA A 10 58.833 -4.575 -2.528 1.00 0.00 N ATOM 127 CA ALA A 10 59.846 -4.052 -1.569 1.00 0.00 C ATOM 128 C ALA A 10 59.218 -2.994 -0.656 1.00 0.00 C ATOM 129 O ALA A 10 59.676 -2.765 0.446 1.00 0.00 O ATOM 130 CB ALA A 10 60.937 -3.431 -2.441 1.00 0.00 C ATOM 0 H ALA A 10 58.878 -4.179 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 10 60.240 -4.834 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.722 -3.022 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.360 -4.195 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.508 -2.633 -3.047 1.00 0.00 H new ATOM 136 N ARG A 11 58.173 -2.347 -1.100 1.00 0.00 N ATOM 137 CA ARG A 11 57.527 -1.308 -0.239 1.00 0.00 C ATOM 138 C ARG A 11 56.304 -1.903 0.462 1.00 0.00 C ATOM 139 O ARG A 11 56.038 -1.620 1.614 1.00 0.00 O ATOM 140 CB ARG A 11 57.092 -0.145 -1.159 1.00 0.00 C ATOM 141 CG ARG A 11 57.661 -0.293 -2.577 1.00 0.00 C ATOM 142 CD ARG A 11 56.682 -1.098 -3.433 1.00 0.00 C ATOM 143 NE ARG A 11 55.883 -0.080 -4.169 1.00 0.00 N ATOM 144 CZ ARG A 11 54.640 0.137 -3.837 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.352 1.019 -2.920 1.00 0.00 N ATOM 146 NH2 ARG A 11 53.683 -0.530 -4.424 1.00 0.00 N ATOM 0 H ARG A 11 57.741 -2.490 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 11 58.221 -0.954 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.004 -0.107 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.425 0.801 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.826 0.689 -3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.629 -0.794 -2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.210 -1.758 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.043 -1.728 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 11 56.307 0.447 -4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.099 1.540 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.380 1.187 -2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 11 53.908 -1.220 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 11 52.711 -0.361 -4.165 1.00 0.00 H new ATOM 160 N ALA A 12 55.558 -2.724 -0.224 1.00 0.00 N ATOM 161 CA ALA A 12 54.351 -3.338 0.401 1.00 0.00 C ATOM 162 C ALA A 12 54.715 -3.982 1.741 1.00 0.00 C ATOM 163 O ALA A 12 53.993 -3.873 2.711 1.00 0.00 O ATOM 164 CB ALA A 12 53.885 -4.398 -0.597 1.00 0.00 C ATOM 0 H ALA A 12 55.732 -2.997 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 12 53.574 -2.602 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.997 -4.897 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.647 -3.922 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.678 -5.131 -0.746 1.00 0.00 H new ATOM 170 N PHE A 13 55.831 -4.656 1.802 1.00 0.00 N ATOM 171 CA PHE A 13 56.241 -5.307 3.079 1.00 0.00 C ATOM 172 C PHE A 13 56.255 -4.281 4.216 1.00 0.00 C ATOM 173 O PHE A 13 55.958 -4.593 5.352 1.00 0.00 O ATOM 174 CB PHE A 13 57.650 -5.838 2.818 1.00 0.00 C ATOM 175 CG PHE A 13 58.279 -6.260 4.124 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.949 -7.496 4.692 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.191 -5.415 4.768 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.531 -7.888 5.903 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.774 -5.807 5.978 1.00 0.00 C ATOM 180 CZ PHE A 13 59.444 -7.044 6.546 1.00 0.00 C ATOM 0 H PHE A 13 56.477 -4.784 1.023 1.00 0.00 H new ATOM 0 HA PHE A 13 55.555 -6.100 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.610 -6.684 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.258 -5.069 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.245 -8.147 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.444 -4.461 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.276 -8.841 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.478 -5.156 6.474 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.894 -7.347 7.480 1.00 0.00 H new ATOM 190 N LEU A 14 56.599 -3.058 3.917 1.00 0.00 N ATOM 191 CA LEU A 14 56.634 -2.013 4.980 1.00 0.00 C ATOM 192 C LEU A 14 55.315 -1.234 5.000 1.00 0.00 C ATOM 193 O LEU A 14 54.988 -0.522 4.071 1.00 0.00 O ATOM 194 CB LEU A 14 57.793 -1.094 4.595 1.00 0.00 C ATOM 195 CG LEU A 14 59.059 -1.927 4.392 1.00 0.00 C ATOM 196 CD1 LEU A 14 60.172 -1.038 3.833 1.00 0.00 C ATOM 197 CD2 LEU A 14 59.503 -2.512 5.734 1.00 0.00 C ATOM 0 H LEU A 14 56.857 -2.737 2.984 1.00 0.00 H new ATOM 0 HA LEU A 14 56.766 -2.440 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.552 -0.551 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.956 -0.350 5.375 1.00 0.00 H new ATOM 0 HG LEU A 14 58.853 -2.736 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 14 61.074 -1.632 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.857 -0.618 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 14 60.379 -0.229 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 14 60.406 -3.106 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.709 -1.702 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.711 -3.145 6.135 1.00 0.00 H new ATOM 209 N SER A 15 54.554 -1.363 6.053 1.00 0.00 N ATOM 210 CA SER A 15 53.260 -0.629 6.132 1.00 0.00 C ATOM 211 C SER A 15 53.503 0.880 6.058 1.00 0.00 C ATOM 212 O SER A 15 54.629 1.337 6.064 1.00 0.00 O ATOM 213 CB SER A 15 52.670 -1.012 7.489 1.00 0.00 C ATOM 214 OG SER A 15 53.109 -0.081 8.470 1.00 0.00 O ATOM 0 H SER A 15 54.773 -1.945 6.862 1.00 0.00 H new ATOM 0 HA SER A 15 52.590 -0.883 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.581 -1.017 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.981 -2.020 7.763 1.00 0.00 H new ATOM 0 HG SER A 15 52.732 -0.322 9.342 1.00 0.00 H new ATOM 220 N GLU A 16 52.458 1.658 5.989 1.00 0.00 N ATOM 221 CA GLU A 16 52.634 3.136 5.916 1.00 0.00 C ATOM 222 C GLU A 16 53.504 3.621 7.078 1.00 0.00 C ATOM 223 O GLU A 16 54.475 4.325 6.887 1.00 0.00 O ATOM 224 CB GLU A 16 51.222 3.711 6.029 1.00 0.00 C ATOM 225 CG GLU A 16 51.260 5.216 5.752 1.00 0.00 C ATOM 226 CD GLU A 16 49.833 5.765 5.717 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.911 4.973 5.822 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.686 6.969 5.585 1.00 0.00 O ATOM 0 H GLU A 16 51.491 1.335 5.980 1.00 0.00 H new ATOM 0 HA GLU A 16 53.128 3.448 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.559 3.216 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.820 3.524 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.838 5.724 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.759 5.409 4.802 1.00 0.00 H new ATOM 235 N GLU A 17 53.163 3.250 8.282 1.00 0.00 N ATOM 236 CA GLU A 17 53.971 3.689 9.455 1.00 0.00 C ATOM 237 C GLU A 17 55.464 3.531 9.154 1.00 0.00 C ATOM 238 O GLU A 17 56.275 4.351 9.538 1.00 0.00 O ATOM 239 CB GLU A 17 53.553 2.759 10.594 1.00 0.00 C ATOM 240 CG GLU A 17 54.065 3.314 11.925 1.00 0.00 C ATOM 241 CD GLU A 17 53.590 4.758 12.092 1.00 0.00 C ATOM 242 OE1 GLU A 17 52.389 4.972 12.073 1.00 0.00 O ATOM 243 OE2 GLU A 17 54.435 5.626 12.237 1.00 0.00 O ATOM 0 H GLU A 17 52.360 2.662 8.504 1.00 0.00 H new ATOM 0 HA GLU A 17 53.805 4.737 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.467 2.666 10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.955 1.760 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.701 2.702 12.750 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.154 3.272 11.954 1.00 0.00 H new ATOM 250 N MET A 18 55.833 2.484 8.468 1.00 0.00 N ATOM 251 CA MET A 18 57.271 2.275 8.142 1.00 0.00 C ATOM 252 C MET A 18 57.698 3.209 7.007 1.00 0.00 C ATOM 253 O MET A 18 58.585 4.025 7.163 1.00 0.00 O ATOM 254 CB MET A 18 57.368 0.815 7.699 1.00 0.00 C ATOM 255 CG MET A 18 58.811 0.330 7.851 1.00 0.00 C ATOM 256 SD MET A 18 58.885 -0.951 9.127 1.00 0.00 S ATOM 257 CE MET A 18 59.101 0.153 10.545 1.00 0.00 C ATOM 0 H MET A 18 55.200 1.764 8.119 1.00 0.00 H new ATOM 0 HA MET A 18 57.922 2.488 8.990 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.700 0.197 8.299 1.00 0.00 H new ATOM 0 HB3 MET A 18 57.047 0.717 6.662 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.175 -0.065 6.903 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.460 1.164 8.119 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.171 -0.438 11.458 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.014 0.734 10.418 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.248 0.828 10.614 1.00 0.00 H new ATOM 267 N ILE A 19 57.073 3.099 5.867 1.00 0.00 N ATOM 268 CA ILE A 19 57.446 3.984 4.727 1.00 0.00 C ATOM 269 C ILE A 19 57.635 5.421 5.221 1.00 0.00 C ATOM 270 O ILE A 19 58.558 6.107 4.828 1.00 0.00 O ATOM 271 CB ILE A 19 56.269 3.899 3.755 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.193 2.486 3.173 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.471 4.905 2.621 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.879 2.318 2.408 1.00 0.00 C ATOM 0 H ILE A 19 56.322 2.436 5.676 1.00 0.00 H new ATOM 0 HA ILE A 19 58.381 3.682 4.256 1.00 0.00 H new ATOM 0 HB ILE A 19 55.343 4.127 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.038 2.310 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.257 1.748 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.632 4.845 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.529 5.912 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.396 4.676 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.825 1.311 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.040 2.476 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.834 3.046 1.598 1.00 0.00 H new ATOM 286 N ALA A 20 56.769 5.879 6.084 1.00 0.00 N ATOM 287 CA ALA A 20 56.902 7.268 6.608 1.00 0.00 C ATOM 288 C ALA A 20 58.064 7.342 7.601 1.00 0.00 C ATOM 289 O ALA A 20 58.695 8.367 7.760 1.00 0.00 O ATOM 290 CB ALA A 20 55.574 7.556 7.311 1.00 0.00 C ATOM 0 H ALA A 20 55.976 5.352 6.448 1.00 0.00 H new ATOM 0 HA ALA A 20 57.108 7.992 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.593 8.564 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.757 7.474 6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.424 6.836 8.115 1.00 0.00 H new ATOM 296 N GLU A 21 58.354 6.258 8.268 1.00 0.00 N ATOM 297 CA GLU A 21 59.478 6.262 9.247 1.00 0.00 C ATOM 298 C GLU A 21 60.814 6.371 8.508 1.00 0.00 C ATOM 299 O GLU A 21 61.644 7.200 8.824 1.00 0.00 O ATOM 300 CB GLU A 21 59.373 4.921 9.974 1.00 0.00 C ATOM 301 CG GLU A 21 60.680 4.635 10.716 1.00 0.00 C ATOM 302 CD GLU A 21 60.384 4.388 12.196 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.424 3.691 12.480 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.122 4.901 13.021 1.00 0.00 O ATOM 0 H GLU A 21 57.861 5.370 8.177 1.00 0.00 H new ATOM 0 HA GLU A 21 59.426 7.103 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.541 4.942 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.167 4.124 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.173 3.765 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.364 5.477 10.607 1.00 0.00 H new ATOM 311 N PHE A 22 61.026 5.542 7.523 1.00 0.00 N ATOM 312 CA PHE A 22 62.305 5.601 6.761 1.00 0.00 C ATOM 313 C PHE A 22 62.392 6.917 5.984 1.00 0.00 C ATOM 314 O PHE A 22 63.458 7.469 5.794 1.00 0.00 O ATOM 315 CB PHE A 22 62.254 4.413 5.798 1.00 0.00 C ATOM 316 CG PHE A 22 62.074 3.124 6.571 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.272 3.094 7.959 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.707 1.953 5.894 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.105 1.897 8.665 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.541 0.757 6.602 1.00 0.00 C ATOM 321 CZ PHE A 22 61.739 0.729 7.986 1.00 0.00 C ATOM 0 H PHE A 22 60.369 4.826 7.213 1.00 0.00 H new ATOM 0 HA PHE A 22 63.177 5.555 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.432 4.541 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.172 4.370 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.554 3.995 8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.552 1.973 4.825 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.259 1.875 9.734 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.260 -0.145 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.609 -0.194 8.531 1.00 0.00 H new ATOM 331 N LYS A 23 61.278 7.425 5.534 1.00 0.00 N ATOM 332 CA LYS A 23 61.294 8.706 4.770 1.00 0.00 C ATOM 333 C LYS A 23 62.138 9.748 5.508 1.00 0.00 C ATOM 334 O LYS A 23 63.014 10.369 4.938 1.00 0.00 O ATOM 335 CB LYS A 23 59.832 9.148 4.709 1.00 0.00 C ATOM 336 CG LYS A 23 59.661 10.195 3.608 1.00 0.00 C ATOM 337 CD LYS A 23 60.140 9.616 2.275 1.00 0.00 C ATOM 338 CE LYS A 23 59.575 10.448 1.122 1.00 0.00 C ATOM 339 NZ LYS A 23 59.660 9.560 -0.070 1.00 0.00 N ATOM 0 H LYS A 23 60.356 7.008 5.662 1.00 0.00 H new ATOM 0 HA LYS A 23 61.727 8.590 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.190 8.290 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.526 9.562 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.615 10.492 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.230 11.092 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.229 9.616 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.818 8.579 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.546 10.748 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.151 11.362 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.290 10.061 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.652 9.297 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 59.097 8.701 0.096 1.00 0.00 H new ATOM 353 N ALA A 24 61.880 9.945 6.771 1.00 0.00 N ATOM 354 CA ALA A 24 62.667 10.947 7.546 1.00 0.00 C ATOM 355 C ALA A 24 64.104 10.457 7.744 1.00 0.00 C ATOM 356 O ALA A 24 65.034 11.237 7.789 1.00 0.00 O ATOM 357 CB ALA A 24 61.948 11.060 8.889 1.00 0.00 C ATOM 0 H ALA A 24 61.158 9.456 7.301 1.00 0.00 H new ATOM 0 HA ALA A 24 62.730 11.907 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.467 11.781 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.923 11.392 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.940 10.087 9.381 1.00 0.00 H new ATOM 363 N ALA A 25 64.291 9.171 7.864 1.00 0.00 N ATOM 364 CA ALA A 25 65.669 8.634 8.061 1.00 0.00 C ATOM 365 C ALA A 25 66.418 8.596 6.725 1.00 0.00 C ATOM 366 O ALA A 25 67.612 8.809 6.667 1.00 0.00 O ATOM 367 CB ALA A 25 65.468 7.218 8.602 1.00 0.00 C ATOM 0 H ALA A 25 63.551 8.469 7.834 1.00 0.00 H new ATOM 0 HA ALA A 25 66.259 9.250 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.439 6.753 8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.916 7.262 9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.906 6.628 7.878 1.00 0.00 H new ATOM 373 N PHE A 26 65.725 8.329 5.652 1.00 0.00 N ATOM 374 CA PHE A 26 66.401 8.279 4.324 1.00 0.00 C ATOM 375 C PHE A 26 66.847 9.683 3.906 1.00 0.00 C ATOM 376 O PHE A 26 67.841 9.853 3.229 1.00 0.00 O ATOM 377 CB PHE A 26 65.343 7.746 3.358 1.00 0.00 C ATOM 378 CG PHE A 26 65.936 7.639 1.975 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.569 6.456 1.574 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.856 8.723 1.092 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.121 6.357 0.291 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.408 8.624 -0.191 1.00 0.00 C ATOM 383 CZ PHE A 26 67.041 7.441 -0.591 1.00 0.00 C ATOM 0 H PHE A 26 64.722 8.144 5.637 1.00 0.00 H new ATOM 0 HA PHE A 26 67.292 7.651 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.990 6.770 3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.479 8.410 3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.631 5.620 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.368 9.636 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.609 5.444 -0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.345 9.460 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.468 7.365 -1.580 1.00 0.00 H new ATOM 393 N ASP A 27 66.118 10.689 4.306 1.00 0.00 N ATOM 394 CA ASP A 27 66.499 12.082 3.933 1.00 0.00 C ATOM 395 C ASP A 27 67.765 12.503 4.683 1.00 0.00 C ATOM 396 O ASP A 27 68.297 13.576 4.472 1.00 0.00 O ATOM 397 CB ASP A 27 65.311 12.946 4.360 1.00 0.00 C ATOM 398 CG ASP A 27 65.691 14.424 4.254 1.00 0.00 C ATOM 399 OD1 ASP A 27 66.241 14.944 5.211 1.00 0.00 O ATOM 400 OD2 ASP A 27 65.429 15.009 3.217 1.00 0.00 O ATOM 0 H ASP A 27 65.275 10.607 4.875 1.00 0.00 H new ATOM 0 HA ASP A 27 66.713 12.180 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.448 12.735 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.022 12.706 5.383 1.00 0.00 H new ATOM 405 N MET A 28 68.250 11.669 5.560 1.00 0.00 N ATOM 406 CA MET A 28 69.479 12.018 6.329 1.00 0.00 C ATOM 407 C MET A 28 70.647 12.292 5.380 1.00 0.00 C ATOM 408 O MET A 28 71.594 12.970 5.727 1.00 0.00 O ATOM 409 CB MET A 28 69.767 10.788 7.189 1.00 0.00 C ATOM 410 CG MET A 28 68.846 10.794 8.409 1.00 0.00 C ATOM 411 SD MET A 28 69.725 10.107 9.834 1.00 0.00 S ATOM 412 CE MET A 28 68.359 10.213 11.015 1.00 0.00 C ATOM 0 H MET A 28 67.847 10.758 5.779 1.00 0.00 H new ATOM 0 HA MET A 28 69.345 12.918 6.929 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.612 9.879 6.607 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.810 10.789 7.507 1.00 0.00 H new ATOM 0 HG2 MET A 28 68.519 11.811 8.626 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.950 10.208 8.204 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.695 9.867 11.992 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.024 11.247 11.092 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.533 9.589 10.673 1.00 0.00 H new ATOM 422 N PHE A 29 70.598 11.763 4.188 1.00 0.00 N ATOM 423 CA PHE A 29 71.722 11.991 3.229 1.00 0.00 C ATOM 424 C PHE A 29 71.194 12.504 1.886 1.00 0.00 C ATOM 425 O PHE A 29 71.858 12.408 0.873 1.00 0.00 O ATOM 426 CB PHE A 29 72.391 10.622 3.047 1.00 0.00 C ATOM 427 CG PHE A 29 72.359 9.853 4.348 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.239 9.079 4.671 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.444 9.920 5.230 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.204 8.371 5.878 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.408 9.212 6.437 1.00 0.00 C ATOM 432 CZ PHE A 29 72.287 8.437 6.761 1.00 0.00 C ATOM 0 H PHE A 29 69.834 11.186 3.836 1.00 0.00 H new ATOM 0 HA PHE A 29 72.420 12.740 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.877 10.058 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.422 10.753 2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.402 9.028 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.308 10.517 4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.340 7.773 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.244 9.263 7.118 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.259 7.891 7.692 1.00 0.00 H new ATOM 442 N ASP A 30 70.008 13.050 1.864 1.00 0.00 N ATOM 443 CA ASP A 30 69.455 13.564 0.578 1.00 0.00 C ATOM 444 C ASP A 30 69.501 15.095 0.551 1.00 0.00 C ATOM 445 O ASP A 30 68.589 15.745 0.083 1.00 0.00 O ATOM 446 CB ASP A 30 68.011 13.058 0.531 1.00 0.00 C ATOM 447 CG ASP A 30 67.123 13.932 1.421 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.648 14.525 2.348 1.00 0.00 O ATOM 449 OD2 ASP A 30 65.933 13.992 1.157 1.00 0.00 O ATOM 0 H ASP A 30 69.401 13.162 2.676 1.00 0.00 H new ATOM 0 HA ASP A 30 70.029 13.221 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.643 13.077 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.969 12.022 0.866 1.00 0.00 H new ATOM 490 N GLY A 35 65.584 12.632 -3.506 1.00 0.00 N ATOM 491 CA GLY A 35 64.990 11.330 -3.091 1.00 0.00 C ATOM 492 C GLY A 35 65.979 10.201 -3.384 1.00 0.00 C ATOM 493 O GLY A 35 65.598 9.064 -3.584 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.750 11.350 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.056 11.157 -3.626 1.00 0.00 H new ATOM 497 N ASP A 36 67.249 10.503 -3.410 1.00 0.00 N ATOM 498 CA ASP A 36 68.264 9.447 -3.690 1.00 0.00 C ATOM 499 C ASP A 36 69.635 9.880 -3.164 1.00 0.00 C ATOM 500 O ASP A 36 70.148 10.921 -3.526 1.00 0.00 O ATOM 501 CB ASP A 36 68.292 9.313 -5.212 1.00 0.00 C ATOM 502 CG ASP A 36 68.336 10.704 -5.847 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.361 11.355 -5.730 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.344 11.093 -6.442 1.00 0.00 O ATOM 0 H ASP A 36 67.628 11.436 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 36 68.020 8.502 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.162 8.733 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.410 8.772 -5.556 1.00 0.00 H new ATOM 509 N ILE A 37 70.231 9.090 -2.315 1.00 0.00 N ATOM 510 CA ILE A 37 71.569 9.455 -1.768 1.00 0.00 C ATOM 511 C ILE A 37 72.666 8.677 -2.501 1.00 0.00 C ATOM 512 O ILE A 37 72.391 7.779 -3.272 1.00 0.00 O ATOM 513 CB ILE A 37 71.512 9.057 -0.293 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.474 7.530 -0.179 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.251 9.647 0.342 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.213 7.132 1.276 1.00 0.00 C ATOM 0 H ILE A 37 69.850 8.207 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 37 71.797 10.514 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 37 72.393 9.438 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.693 7.126 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.419 7.106 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.207 9.365 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.276 10.734 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.370 9.263 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.186 6.045 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.010 7.523 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.257 7.544 1.600 1.00 0.00 H new ATOM 528 N SER A 38 73.905 9.015 -2.272 1.00 0.00 N ATOM 529 CA SER A 38 75.011 8.291 -2.964 1.00 0.00 C ATOM 530 C SER A 38 74.902 6.788 -2.702 1.00 0.00 C ATOM 531 O SER A 38 74.762 6.350 -1.577 1.00 0.00 O ATOM 532 CB SER A 38 76.295 8.852 -2.354 1.00 0.00 C ATOM 533 OG SER A 38 77.387 8.014 -2.707 1.00 0.00 O ATOM 0 H SER A 38 74.200 9.758 -1.638 1.00 0.00 H new ATOM 0 HA SER A 38 74.982 8.427 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.469 9.866 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.201 8.909 -1.270 1.00 0.00 H new ATOM 0 HG SER A 38 78.213 8.372 -2.319 1.00 0.00 H new ATOM 539 N THR A 39 74.963 5.993 -3.735 1.00 0.00 N ATOM 540 CA THR A 39 74.862 4.517 -3.549 1.00 0.00 C ATOM 541 C THR A 39 75.721 4.073 -2.363 1.00 0.00 C ATOM 542 O THR A 39 75.415 3.110 -1.689 1.00 0.00 O ATOM 543 CB THR A 39 75.390 3.915 -4.853 1.00 0.00 C ATOM 544 OG1 THR A 39 76.576 4.594 -5.239 1.00 0.00 O ATOM 545 CG2 THR A 39 74.334 4.063 -5.950 1.00 0.00 C ATOM 0 H THR A 39 75.078 6.302 -4.700 1.00 0.00 H new ATOM 0 HA THR A 39 73.842 4.196 -3.338 1.00 0.00 H new ATOM 0 HB THR A 39 75.609 2.858 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.917 4.209 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.711 3.634 -6.878 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.424 3.541 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.113 5.119 -6.102 1.00 0.00 H new ATOM 553 N LYS A 40 76.794 4.768 -2.103 1.00 0.00 N ATOM 554 CA LYS A 40 77.671 4.385 -0.959 1.00 0.00 C ATOM 555 C LYS A 40 76.928 4.587 0.365 1.00 0.00 C ATOM 556 O LYS A 40 77.188 3.916 1.343 1.00 0.00 O ATOM 557 CB LYS A 40 78.871 5.327 -1.050 1.00 0.00 C ATOM 558 CG LYS A 40 79.669 5.262 0.253 1.00 0.00 C ATOM 559 CD LYS A 40 79.149 6.325 1.223 1.00 0.00 C ATOM 560 CE LYS A 40 79.169 5.769 2.648 1.00 0.00 C ATOM 561 NZ LYS A 40 80.612 5.676 3.003 1.00 0.00 N ATOM 0 H LYS A 40 77.102 5.584 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 40 77.971 3.338 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.504 5.046 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.533 6.347 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.578 4.272 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.728 5.425 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 40 79.766 7.221 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 40 78.135 6.617 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 40 78.635 6.425 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 40 78.686 4.793 2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 80.711 5.584 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.031 4.844 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.104 6.535 2.683 1.00 0.00 H new ATOM 575 N GLU A 41 76.003 5.507 0.401 1.00 0.00 N ATOM 576 CA GLU A 41 75.241 5.754 1.658 1.00 0.00 C ATOM 577 C GLU A 41 74.158 4.686 1.833 1.00 0.00 C ATOM 578 O GLU A 41 73.594 4.526 2.897 1.00 0.00 O ATOM 579 CB GLU A 41 74.608 7.134 1.467 1.00 0.00 C ATOM 580 CG GLU A 41 75.067 8.071 2.587 1.00 0.00 C ATOM 581 CD GLU A 41 74.667 7.487 3.941 1.00 0.00 C ATOM 582 OE1 GLU A 41 73.496 7.193 4.116 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.539 7.342 4.782 1.00 0.00 O ATOM 0 H GLU A 41 75.742 6.099 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 41 75.874 5.714 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 41 74.892 7.544 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.521 7.050 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 41 76.148 8.205 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.618 9.056 2.458 1.00 0.00 H new ATOM 590 N LEU A 42 73.864 3.954 0.793 1.00 0.00 N ATOM 591 CA LEU A 42 72.817 2.896 0.893 1.00 0.00 C ATOM 592 C LEU A 42 73.072 2.004 2.111 1.00 0.00 C ATOM 593 O LEU A 42 72.153 1.566 2.774 1.00 0.00 O ATOM 594 CB LEU A 42 72.951 2.088 -0.398 1.00 0.00 C ATOM 595 CG LEU A 42 71.834 1.046 -0.467 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.066 1.207 -1.780 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.444 -0.357 -0.402 1.00 0.00 C ATOM 0 H LEU A 42 74.304 4.043 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 42 71.818 3.316 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.898 2.751 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.923 1.597 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 42 71.152 1.187 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.270 0.464 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.633 2.206 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.747 1.065 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.650 -1.102 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.125 -0.497 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.992 -0.472 0.533 1.00 0.00 H new ATOM 609 N GLY A 43 74.312 1.729 2.410 1.00 0.00 N ATOM 610 CA GLY A 43 74.620 0.863 3.583 1.00 0.00 C ATOM 611 C GLY A 43 74.320 1.624 4.876 1.00 0.00 C ATOM 612 O GLY A 43 73.876 1.056 5.854 1.00 0.00 O ATOM 0 H GLY A 43 75.124 2.066 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.026 -0.050 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.667 0.562 3.561 1.00 0.00 H new ATOM 616 N THR A 44 74.561 2.906 4.890 1.00 0.00 N ATOM 617 CA THR A 44 74.292 3.704 6.121 1.00 0.00 C ATOM 618 C THR A 44 72.784 3.916 6.297 1.00 0.00 C ATOM 619 O THR A 44 72.232 3.672 7.351 1.00 0.00 O ATOM 620 CB THR A 44 75.005 5.038 5.885 1.00 0.00 C ATOM 621 OG1 THR A 44 76.396 4.876 6.123 1.00 0.00 O ATOM 622 CG2 THR A 44 74.446 6.104 6.831 1.00 0.00 C ATOM 0 H THR A 44 74.933 3.436 4.102 1.00 0.00 H new ATOM 0 HA THR A 44 74.645 3.208 7.025 1.00 0.00 H new ATOM 0 HB THR A 44 74.842 5.355 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.876 5.671 5.810 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.959 7.050 6.657 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.379 6.230 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.602 5.792 7.864 1.00 0.00 H new ATOM 630 N VAL A 45 72.115 4.373 5.274 1.00 0.00 N ATOM 631 CA VAL A 45 70.645 4.604 5.387 1.00 0.00 C ATOM 632 C VAL A 45 69.940 3.338 5.883 1.00 0.00 C ATOM 633 O VAL A 45 69.083 3.391 6.742 1.00 0.00 O ATOM 634 CB VAL A 45 70.190 4.949 3.969 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.568 3.811 3.019 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.672 5.141 3.955 1.00 0.00 C ATOM 0 H VAL A 45 72.521 4.596 4.365 1.00 0.00 H new ATOM 0 HA VAL A 45 70.407 5.395 6.098 1.00 0.00 H new ATOM 0 HB VAL A 45 70.677 5.869 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.243 4.058 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.649 3.673 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.081 2.891 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.346 5.387 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.186 4.221 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.402 5.952 4.631 1.00 0.00 H new ATOM 646 N MET A 46 70.294 2.201 5.349 1.00 0.00 N ATOM 647 CA MET A 46 69.639 0.936 5.791 1.00 0.00 C ATOM 648 C MET A 46 70.225 0.470 7.127 1.00 0.00 C ATOM 649 O MET A 46 69.515 0.014 8.001 1.00 0.00 O ATOM 650 CB MET A 46 69.945 -0.076 4.686 1.00 0.00 C ATOM 651 CG MET A 46 71.437 -0.413 4.699 1.00 0.00 C ATOM 652 SD MET A 46 71.868 -1.299 3.181 1.00 0.00 S ATOM 653 CE MET A 46 70.413 -2.372 3.127 1.00 0.00 C ATOM 0 H MET A 46 71.007 2.093 4.627 1.00 0.00 H new ATOM 0 HA MET A 46 68.567 1.060 5.945 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.356 -0.981 4.834 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.662 0.333 3.716 1.00 0.00 H new ATOM 0 HG2 MET A 46 72.026 0.500 4.780 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.675 -1.024 5.570 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.601 -3.206 2.451 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.205 -2.754 4.126 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.554 -1.803 2.771 1.00 0.00 H new ATOM 663 N ARG A 47 71.515 0.581 7.293 1.00 0.00 N ATOM 664 CA ARG A 47 72.140 0.143 8.574 1.00 0.00 C ATOM 665 C ARG A 47 71.817 1.142 9.688 1.00 0.00 C ATOM 666 O ARG A 47 71.521 0.767 10.806 1.00 0.00 O ATOM 667 CB ARG A 47 73.642 0.120 8.294 1.00 0.00 C ATOM 668 CG ARG A 47 74.372 -0.525 9.474 1.00 0.00 C ATOM 669 CD ARG A 47 74.748 0.553 10.494 1.00 0.00 C ATOM 670 NE ARG A 47 73.912 0.257 11.689 1.00 0.00 N ATOM 671 CZ ARG A 47 73.874 1.102 12.683 1.00 0.00 C ATOM 672 NH1 ARG A 47 74.758 2.058 12.762 1.00 0.00 N ATOM 673 NH2 ARG A 47 72.950 0.990 13.598 1.00 0.00 N ATOM 0 H ARG A 47 72.162 0.955 6.599 1.00 0.00 H new ATOM 0 HA ARG A 47 71.772 -0.829 8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.844 -0.438 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.009 1.134 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.736 -1.277 9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.268 -1.038 9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.810 0.515 10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.545 1.551 10.107 1.00 0.00 H new ATOM 0 HE ARG A 47 73.369 -0.606 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.480 2.146 12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 47 74.727 2.718 13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.259 0.243 13.536 1.00 0.00 H new ATOM 0 HH22 ARG A 47 72.919 1.650 14.375 1.00 0.00 H new ATOM 687 N MET A 48 71.872 2.411 9.392 1.00 0.00 N ATOM 688 CA MET A 48 71.569 3.436 10.432 1.00 0.00 C ATOM 689 C MET A 48 70.078 3.416 10.778 1.00 0.00 C ATOM 690 O MET A 48 69.630 4.102 11.676 1.00 0.00 O ATOM 691 CB MET A 48 71.955 4.771 9.793 1.00 0.00 C ATOM 692 CG MET A 48 71.658 5.911 10.770 1.00 0.00 C ATOM 693 SD MET A 48 72.739 5.766 12.214 1.00 0.00 S ATOM 694 CE MET A 48 74.297 6.125 11.366 1.00 0.00 C ATOM 0 H MET A 48 72.114 2.784 8.474 1.00 0.00 H new ATOM 0 HA MET A 48 72.111 3.256 11.361 1.00 0.00 H new ATOM 0 HB2 MET A 48 73.013 4.768 9.532 1.00 0.00 H new ATOM 0 HB3 MET A 48 71.399 4.917 8.867 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.814 6.873 10.281 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.613 5.876 11.080 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.994 6.588 12.065 1.00 0.00 H new ATOM 0 HE2 MET A 48 74.726 5.198 10.986 1.00 0.00 H new ATOM 0 HE3 MET A 48 74.111 6.806 10.535 1.00 0.00 H new ATOM 704 N LEU A 49 69.306 2.636 10.072 1.00 0.00 N ATOM 705 CA LEU A 49 67.845 2.576 10.362 1.00 0.00 C ATOM 706 C LEU A 49 67.563 1.549 11.461 1.00 0.00 C ATOM 707 O LEU A 49 66.688 1.733 12.284 1.00 0.00 O ATOM 708 CB LEU A 49 67.198 2.150 9.044 1.00 0.00 C ATOM 709 CG LEU A 49 66.827 3.394 8.234 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.486 2.987 6.800 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.613 4.072 8.873 1.00 0.00 C ATOM 0 H LEU A 49 69.623 2.039 9.308 1.00 0.00 H new ATOM 0 HA LEU A 49 67.454 3.530 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.885 1.524 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.308 1.551 9.240 1.00 0.00 H new ATOM 0 HG LEU A 49 67.669 4.086 8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.222 3.873 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.349 2.502 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.644 2.295 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.347 4.959 8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.772 3.379 8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.855 4.362 9.896 1.00 0.00 H new ATOM 723 N GLY A 50 68.296 0.469 11.483 1.00 0.00 N ATOM 724 CA GLY A 50 68.066 -0.563 12.534 1.00 0.00 C ATOM 725 C GLY A 50 68.515 -1.934 12.023 1.00 0.00 C ATOM 726 O GLY A 50 68.731 -2.851 12.791 1.00 0.00 O ATOM 0 H GLY A 50 69.042 0.257 10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.617 -0.304 13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.010 -0.593 12.802 1.00 0.00 H new ATOM 730 N GLN A 51 68.657 -2.087 10.734 1.00 0.00 N ATOM 731 CA GLN A 51 69.091 -3.406 10.186 1.00 0.00 C ATOM 732 C GLN A 51 70.618 -3.467 10.104 1.00 0.00 C ATOM 733 O GLN A 51 71.314 -2.726 10.769 1.00 0.00 O ATOM 734 CB GLN A 51 68.470 -3.494 8.786 1.00 0.00 C ATOM 735 CG GLN A 51 67.053 -2.904 8.800 1.00 0.00 C ATOM 736 CD GLN A 51 66.302 -3.390 10.041 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.557 -4.576 10.520 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 65.475 -2.683 10.581 1.00 0.00 N flip ATOM 0 H GLN A 51 68.492 -1.359 10.038 1.00 0.00 H new ATOM 0 HA GLN A 51 68.772 -4.235 10.818 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.090 -2.954 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.436 -4.533 8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.102 -1.815 8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.516 -3.201 7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.275 -1.755 10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 51 64.981 -3.017 11.408 1.00 0.00 H new ATOM 747 N ASN A 52 71.146 -4.348 9.298 1.00 0.00 N ATOM 748 CA ASN A 52 72.630 -4.454 9.182 1.00 0.00 C ATOM 749 C ASN A 52 73.012 -5.161 7.879 1.00 0.00 C ATOM 750 O ASN A 52 73.032 -6.375 7.815 1.00 0.00 O ATOM 751 CB ASN A 52 73.061 -5.286 10.389 1.00 0.00 C ATOM 752 CG ASN A 52 72.402 -6.666 10.319 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.064 -7.656 10.076 1.00 0.00 O ATOM 754 ND2 ASN A 52 71.117 -6.773 10.523 1.00 0.00 N ATOM 0 H ASN A 52 70.616 -4.997 8.716 1.00 0.00 H new ATOM 0 HA ASN A 52 73.113 -3.477 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 52 74.146 -5.390 10.404 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.776 -4.782 11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 52 70.668 -7.688 10.479 1.00 0.00 H new ATOM 0 HD22 ASN A 52 70.562 -5.942 10.727 1.00 0.00 H new ATOM 761 N PRO A 53 73.304 -4.374 6.882 1.00 0.00 N ATOM 762 CA PRO A 53 73.693 -4.927 5.561 1.00 0.00 C ATOM 763 C PRO A 53 75.103 -5.523 5.631 1.00 0.00 C ATOM 764 O PRO A 53 76.068 -4.831 5.885 1.00 0.00 O ATOM 765 CB PRO A 53 73.664 -3.709 4.643 1.00 0.00 C ATOM 766 CG PRO A 53 73.881 -2.539 5.549 1.00 0.00 C ATOM 767 CD PRO A 53 73.299 -2.907 6.888 1.00 0.00 C ATOM 0 HA PRO A 53 73.038 -5.728 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.442 -3.769 3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.711 -3.632 4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.943 -2.313 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.398 -1.647 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.898 -2.509 7.707 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.291 -2.511 7.008 1.00 0.00 H new ATOM 775 N THR A 54 75.228 -6.803 5.409 1.00 0.00 N ATOM 776 CA THR A 54 76.575 -7.441 5.465 1.00 0.00 C ATOM 777 C THR A 54 77.436 -6.967 4.292 1.00 0.00 C ATOM 778 O THR A 54 76.936 -6.647 3.232 1.00 0.00 O ATOM 779 CB THR A 54 76.308 -8.943 5.360 1.00 0.00 C ATOM 780 OG1 THR A 54 75.622 -9.217 4.147 1.00 0.00 O ATOM 781 CG2 THR A 54 75.453 -9.396 6.545 1.00 0.00 C ATOM 0 H THR A 54 74.457 -7.434 5.191 1.00 0.00 H new ATOM 0 HA THR A 54 77.114 -7.185 6.377 1.00 0.00 H new ATOM 0 HB THR A 54 77.255 -9.482 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.985 -10.032 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.264 -10.467 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 54 75.980 -9.186 7.476 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.505 -8.858 6.536 1.00 0.00 H new ATOM 789 N LYS A 55 78.728 -6.924 4.473 1.00 0.00 N ATOM 790 CA LYS A 55 79.621 -6.473 3.368 1.00 0.00 C ATOM 791 C LYS A 55 79.238 -7.176 2.063 1.00 0.00 C ATOM 792 O LYS A 55 79.080 -6.553 1.033 1.00 0.00 O ATOM 793 CB LYS A 55 81.028 -6.882 3.804 1.00 0.00 C ATOM 794 CG LYS A 55 82.048 -5.895 3.234 1.00 0.00 C ATOM 795 CD LYS A 55 83.273 -5.838 4.150 1.00 0.00 C ATOM 796 CE LYS A 55 84.132 -4.627 3.779 1.00 0.00 C ATOM 797 NZ LYS A 55 85.010 -5.104 2.674 1.00 0.00 N ATOM 0 H LYS A 55 79.203 -7.182 5.338 1.00 0.00 H new ATOM 0 HA LYS A 55 79.547 -5.401 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.092 -6.899 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.249 -7.891 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.345 -6.202 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.601 -4.905 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.959 -5.769 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.856 -6.754 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.514 -3.788 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.720 -4.284 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.630 -4.329 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.591 -5.899 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.423 -5.418 1.875 1.00 0.00 H new ATOM 811 N GLU A 56 79.083 -8.472 2.100 1.00 0.00 N ATOM 812 CA GLU A 56 78.707 -9.214 0.864 1.00 0.00 C ATOM 813 C GLU A 56 77.399 -8.661 0.296 1.00 0.00 C ATOM 814 O GLU A 56 77.308 -8.324 -0.868 1.00 0.00 O ATOM 815 CB GLU A 56 78.527 -10.665 1.312 1.00 0.00 C ATOM 816 CG GLU A 56 78.932 -11.605 0.176 1.00 0.00 C ATOM 817 CD GLU A 56 78.971 -13.044 0.692 1.00 0.00 C ATOM 818 OE1 GLU A 56 79.161 -13.220 1.885 1.00 0.00 O ATOM 819 OE2 GLU A 56 78.809 -13.946 -0.112 1.00 0.00 O ATOM 0 H GLU A 56 79.201 -9.048 2.933 1.00 0.00 H new ATOM 0 HA GLU A 56 79.459 -9.121 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.135 -10.862 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 56 77.489 -10.844 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 56 78.224 -11.522 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 79.909 -11.321 -0.214 1.00 0.00 H new ATOM 826 N GLU A 57 76.383 -8.565 1.110 1.00 0.00 N ATOM 827 CA GLU A 57 75.081 -8.031 0.617 1.00 0.00 C ATOM 828 C GLU A 57 75.207 -6.537 0.307 1.00 0.00 C ATOM 829 O GLU A 57 74.699 -6.054 -0.686 1.00 0.00 O ATOM 830 CB GLU A 57 74.098 -8.260 1.765 1.00 0.00 C ATOM 831 CG GLU A 57 73.964 -9.761 2.032 1.00 0.00 C ATOM 832 CD GLU A 57 72.772 -10.314 1.250 1.00 0.00 C ATOM 833 OE1 GLU A 57 71.652 -9.985 1.605 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.999 -11.060 0.311 1.00 0.00 O ATOM 0 H GLU A 57 76.398 -8.833 2.094 1.00 0.00 H new ATOM 0 HA GLU A 57 74.755 -8.520 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 57 74.446 -7.750 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.125 -7.836 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.877 -10.277 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 57 73.828 -9.941 3.098 1.00 0.00 H new ATOM 841 N LEU A 58 75.883 -5.802 1.147 1.00 0.00 N ATOM 842 CA LEU A 58 76.043 -4.342 0.897 1.00 0.00 C ATOM 843 C LEU A 58 76.800 -4.115 -0.414 1.00 0.00 C ATOM 844 O LEU A 58 76.420 -3.295 -1.227 1.00 0.00 O ATOM 845 CB LEU A 58 76.853 -3.826 2.087 1.00 0.00 C ATOM 846 CG LEU A 58 77.410 -2.441 1.761 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.256 -1.493 1.430 1.00 0.00 C ATOM 848 CD2 LEU A 58 78.179 -1.903 2.970 1.00 0.00 C ATOM 0 H LEU A 58 76.331 -6.149 1.995 1.00 0.00 H new ATOM 0 HA LEU A 58 75.087 -3.827 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 58 76.223 -3.777 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.668 -4.514 2.312 1.00 0.00 H new ATOM 0 HG LEU A 58 78.081 -2.512 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.652 -0.505 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 58 75.706 -1.875 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 58 75.586 -1.423 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 58 78.577 -0.915 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 58 77.508 -1.832 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.001 -2.578 3.208 1.00 0.00 H new ATOM 860 N ASP A 59 77.864 -4.840 -0.629 1.00 0.00 N ATOM 861 CA ASP A 59 78.639 -4.669 -1.891 1.00 0.00 C ATOM 862 C ASP A 59 77.826 -5.191 -3.077 1.00 0.00 C ATOM 863 O ASP A 59 77.850 -4.632 -4.155 1.00 0.00 O ATOM 864 CB ASP A 59 79.906 -5.504 -1.696 1.00 0.00 C ATOM 865 CG ASP A 59 81.095 -4.786 -2.337 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.017 -4.488 -3.517 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.064 -4.547 -1.635 1.00 0.00 O ATOM 0 H ASP A 59 78.230 -5.542 0.014 1.00 0.00 H new ATOM 0 HA ASP A 59 78.872 -3.624 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.092 -5.660 -0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.778 -6.489 -2.145 1.00 0.00 H new ATOM 872 N ALA A 60 77.099 -6.259 -2.884 1.00 0.00 N ATOM 873 CA ALA A 60 76.280 -6.814 -3.999 1.00 0.00 C ATOM 874 C ALA A 60 75.060 -5.922 -4.244 1.00 0.00 C ATOM 875 O ALA A 60 74.623 -5.747 -5.363 1.00 0.00 O ATOM 876 CB ALA A 60 75.849 -8.201 -3.525 1.00 0.00 C ATOM 0 H ALA A 60 77.037 -6.770 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 60 76.833 -6.863 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.240 -8.675 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.732 -8.811 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.267 -8.108 -2.608 1.00 0.00 H new ATOM 882 N ILE A 61 74.507 -5.355 -3.204 1.00 0.00 N ATOM 883 CA ILE A 61 73.320 -4.472 -3.383 1.00 0.00 C ATOM 884 C ILE A 61 73.715 -3.220 -4.167 1.00 0.00 C ATOM 885 O ILE A 61 73.124 -2.896 -5.178 1.00 0.00 O ATOM 886 CB ILE A 61 72.876 -4.102 -1.970 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.214 -5.312 -1.309 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.874 -2.949 -2.039 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.175 -5.109 0.207 1.00 0.00 C ATOM 0 H ILE A 61 74.826 -5.466 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 61 72.521 -4.962 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 61 73.743 -3.798 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.203 -5.443 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.767 -6.220 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.555 -2.683 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.344 -2.086 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.007 -3.255 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.703 -5.972 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.191 -5.000 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.603 -4.211 0.439 1.00 0.00 H new ATOM 901 N ILE A 62 74.717 -2.516 -3.714 1.00 0.00 N ATOM 902 CA ILE A 62 75.149 -1.290 -4.443 1.00 0.00 C ATOM 903 C ILE A 62 75.447 -1.640 -5.902 1.00 0.00 C ATOM 904 O ILE A 62 74.780 -1.183 -6.808 1.00 0.00 O ATOM 905 CB ILE A 62 76.419 -0.825 -3.732 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.053 -0.241 -2.365 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.108 0.249 -4.574 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.323 0.216 -1.647 1.00 0.00 C ATOM 0 H ILE A 62 75.253 -2.736 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 62 74.384 -0.514 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 62 77.092 -1.672 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.370 0.600 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.533 -0.989 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.014 0.582 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.367 -0.164 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.434 1.096 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.061 0.632 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.990 -0.635 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.824 0.978 -2.244 1.00 0.00 H new ATOM 920 N GLU A 63 76.438 -2.457 -6.135 1.00 0.00 N ATOM 921 CA GLU A 63 76.765 -2.844 -7.536 1.00 0.00 C ATOM 922 C GLU A 63 75.482 -3.236 -8.270 1.00 0.00 C ATOM 923 O GLU A 63 75.334 -3.011 -9.454 1.00 0.00 O ATOM 924 CB GLU A 63 77.703 -4.046 -7.409 1.00 0.00 C ATOM 925 CG GLU A 63 78.143 -4.501 -8.801 1.00 0.00 C ATOM 926 CD GLU A 63 79.623 -4.892 -8.767 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.906 -6.032 -8.442 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.446 -4.042 -9.067 1.00 0.00 O ATOM 0 H GLU A 63 77.033 -2.872 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 63 77.227 -2.033 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.574 -3.779 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.198 -4.861 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.539 -5.349 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 63 77.984 -3.701 -9.524 1.00 0.00 H new ATOM 935 N GLU A 64 74.547 -3.814 -7.565 1.00 0.00 N ATOM 936 CA GLU A 64 73.264 -4.215 -8.206 1.00 0.00 C ATOM 937 C GLU A 64 72.448 -2.963 -8.545 1.00 0.00 C ATOM 938 O GLU A 64 71.964 -2.802 -9.647 1.00 0.00 O ATOM 939 CB GLU A 64 72.556 -5.077 -7.150 1.00 0.00 C ATOM 940 CG GLU A 64 71.035 -4.985 -7.320 1.00 0.00 C ATOM 941 CD GLU A 64 70.401 -6.338 -6.990 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.273 -6.640 -5.815 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.053 -7.048 -7.919 1.00 0.00 O ATOM 0 H GLU A 64 74.618 -4.026 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 64 73.401 -4.761 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.877 -6.115 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.838 -4.745 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.631 -4.213 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.790 -4.696 -8.342 1.00 0.00 H new ATOM 950 N VAL A 65 72.295 -2.075 -7.601 1.00 0.00 N ATOM 951 CA VAL A 65 71.515 -0.834 -7.865 1.00 0.00 C ATOM 952 C VAL A 65 72.394 0.195 -8.583 1.00 0.00 C ATOM 953 O VAL A 65 71.920 1.203 -9.066 1.00 0.00 O ATOM 954 CB VAL A 65 71.101 -0.322 -6.484 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.429 -1.450 -5.697 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.339 0.160 -5.724 1.00 0.00 C ATOM 0 H VAL A 65 72.677 -2.156 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 65 70.651 -1.015 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 65 70.401 0.505 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.135 -1.083 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.545 -1.793 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.127 -2.279 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.043 0.525 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.040 -0.667 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.817 0.966 -6.281 1.00 0.00 H new ATOM 966 N ASP A 66 73.673 -0.056 -8.655 1.00 0.00 N ATOM 967 CA ASP A 66 74.586 0.903 -9.341 1.00 0.00 C ATOM 968 C ASP A 66 74.636 0.600 -10.842 1.00 0.00 C ATOM 969 O ASP A 66 74.989 1.441 -11.644 1.00 0.00 O ATOM 970 CB ASP A 66 75.956 0.673 -8.703 1.00 0.00 C ATOM 971 CG ASP A 66 76.953 1.697 -9.249 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.778 2.871 -8.969 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.873 1.289 -9.939 1.00 0.00 O ATOM 0 H ASP A 66 74.126 -0.884 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 66 74.256 1.936 -9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.884 0.763 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.303 -0.338 -8.917 1.00 0.00 H new ATOM 1030 N THR A 72 73.467 7.006 -7.607 1.00 0.00 N ATOM 1031 CA THR A 72 72.768 7.067 -6.291 1.00 0.00 C ATOM 1032 C THR A 72 71.630 6.043 -6.249 1.00 0.00 C ATOM 1033 O THR A 72 71.424 5.294 -7.182 1.00 0.00 O ATOM 1034 CB THR A 72 72.216 8.490 -6.200 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.363 8.737 -7.309 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.372 9.491 -6.211 1.00 0.00 C ATOM 0 HA THR A 72 73.433 6.836 -5.459 1.00 0.00 H new ATOM 0 HB THR A 72 71.652 8.602 -5.274 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.716 8.280 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.976 10.505 -6.146 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.026 9.301 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.939 9.382 -7.135 1.00 0.00 H new ATOM 1044 N ILE A 73 70.892 6.005 -5.173 1.00 0.00 N ATOM 1045 CA ILE A 73 69.770 5.028 -5.072 1.00 0.00 C ATOM 1046 C ILE A 73 68.428 5.765 -5.066 1.00 0.00 C ATOM 1047 O ILE A 73 68.305 6.844 -4.524 1.00 0.00 O ATOM 1048 CB ILE A 73 69.995 4.308 -3.743 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.876 3.289 -3.522 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.987 5.328 -2.602 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.335 1.913 -4.006 1.00 0.00 C ATOM 0 H ILE A 73 71.017 6.608 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 73 69.746 4.334 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 73 70.957 3.795 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.613 3.245 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.979 3.595 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.147 4.815 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.783 6.056 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.025 5.840 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.537 1.187 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.576 1.963 -5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.220 1.607 -3.447 1.00 0.00 H new ATOM 1063 N ASP A 74 67.419 5.191 -5.664 1.00 0.00 N ATOM 1064 CA ASP A 74 66.087 5.863 -5.690 1.00 0.00 C ATOM 1065 C ASP A 74 65.190 5.303 -4.583 1.00 0.00 C ATOM 1066 O ASP A 74 65.110 4.107 -4.381 1.00 0.00 O ATOM 1067 CB ASP A 74 65.505 5.537 -7.066 1.00 0.00 C ATOM 1068 CG ASP A 74 66.538 5.860 -8.148 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.540 6.984 -8.622 1.00 0.00 O ATOM 1070 OD2 ASP A 74 67.310 4.976 -8.484 1.00 0.00 O ATOM 0 H ASP A 74 67.459 4.287 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 74 66.164 6.937 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.229 4.484 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.595 6.113 -7.233 1.00 0.00 H new ATOM 1075 N PHE A 75 64.515 6.158 -3.862 1.00 0.00 N ATOM 1076 CA PHE A 75 63.627 5.670 -2.768 1.00 0.00 C ATOM 1077 C PHE A 75 62.832 4.450 -3.241 1.00 0.00 C ATOM 1078 O PHE A 75 62.769 3.440 -2.569 1.00 0.00 O ATOM 1079 CB PHE A 75 62.689 6.837 -2.463 1.00 0.00 C ATOM 1080 CG PHE A 75 62.186 6.716 -1.044 1.00 0.00 C ATOM 1081 CD1 PHE A 75 62.948 7.227 0.014 1.00 0.00 C ATOM 1082 CD2 PHE A 75 60.961 6.092 -0.786 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.484 7.112 1.330 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.495 5.978 0.530 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.258 6.489 1.588 1.00 0.00 C ATOM 0 H PHE A 75 64.540 7.170 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 75 64.189 5.362 -1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.213 7.784 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.851 6.836 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 75 63.893 7.710 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 75 60.374 5.698 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 75 63.073 7.504 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.549 5.497 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.900 6.402 2.603 1.00 0.00 H new ATOM 1095 N GLU A 76 62.227 4.532 -4.396 1.00 0.00 N ATOM 1096 CA GLU A 76 61.443 3.372 -4.908 1.00 0.00 C ATOM 1097 C GLU A 76 62.331 2.127 -4.959 1.00 0.00 C ATOM 1098 O GLU A 76 62.174 1.208 -4.181 1.00 0.00 O ATOM 1099 CB GLU A 76 61.006 3.779 -6.316 1.00 0.00 C ATOM 1100 CG GLU A 76 59.570 4.304 -6.274 1.00 0.00 C ATOM 1101 CD GLU A 76 58.595 3.126 -6.304 1.00 0.00 C ATOM 1102 OE1 GLU A 76 58.271 2.677 -7.391 1.00 0.00 O ATOM 1103 OE2 GLU A 76 58.187 2.694 -5.238 1.00 0.00 O ATOM 0 H GLU A 76 62.242 5.350 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 76 60.590 3.132 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.674 4.547 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 76 61.072 2.925 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 76 59.414 4.896 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.387 4.963 -7.123 1.00 0.00 H new ATOM 1110 N GLU A 77 63.267 2.093 -5.868 1.00 0.00 N ATOM 1111 CA GLU A 77 64.169 0.911 -5.964 1.00 0.00 C ATOM 1112 C GLU A 77 64.889 0.691 -4.632 1.00 0.00 C ATOM 1113 O GLU A 77 65.333 -0.397 -4.328 1.00 0.00 O ATOM 1114 CB GLU A 77 65.170 1.265 -7.065 1.00 0.00 C ATOM 1115 CG GLU A 77 66.017 0.036 -7.400 1.00 0.00 C ATOM 1116 CD GLU A 77 65.689 -0.442 -8.815 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.011 0.272 -9.751 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.120 -1.514 -8.940 1.00 0.00 O ATOM 0 H GLU A 77 63.446 2.832 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 77 63.627 -0.008 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.642 1.609 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.811 2.084 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 77 67.077 0.280 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.821 -0.760 -6.682 1.00 0.00 H new ATOM 1125 N PHE A 78 65.005 1.719 -3.834 1.00 0.00 N ATOM 1126 CA PHE A 78 65.694 1.567 -2.520 1.00 0.00 C ATOM 1127 C PHE A 78 64.792 0.814 -1.541 1.00 0.00 C ATOM 1128 O PHE A 78 65.252 0.031 -0.734 1.00 0.00 O ATOM 1129 CB PHE A 78 65.935 2.996 -2.031 1.00 0.00 C ATOM 1130 CG PHE A 78 66.302 2.970 -0.566 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.508 2.390 -0.157 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.436 3.526 0.382 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.849 2.363 1.201 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.776 3.501 1.741 1.00 0.00 C ATOM 1135 CZ PHE A 78 66.982 2.920 2.150 1.00 0.00 C ATOM 0 H PHE A 78 64.653 2.655 -4.035 1.00 0.00 H new ATOM 0 HA PHE A 78 66.623 1.002 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.734 3.460 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.040 3.600 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.177 1.963 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.506 3.974 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.779 1.913 1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.108 3.930 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.244 2.901 3.198 1.00 0.00 H new ATOM 1145 N LEU A 79 63.511 1.047 -1.606 1.00 0.00 N ATOM 1146 CA LEU A 79 62.578 0.346 -0.678 1.00 0.00 C ATOM 1147 C LEU A 79 62.962 -1.131 -0.556 1.00 0.00 C ATOM 1148 O LEU A 79 62.683 -1.772 0.438 1.00 0.00 O ATOM 1149 CB LEU A 79 61.198 0.495 -1.319 1.00 0.00 C ATOM 1150 CG LEU A 79 60.618 1.867 -0.968 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.624 2.295 -2.049 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.897 1.784 0.379 1.00 0.00 C ATOM 0 H LEU A 79 63.069 1.692 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 79 62.605 0.762 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.274 0.386 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.534 -0.294 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 79 61.425 2.597 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.212 3.272 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.134 2.353 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.817 1.565 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.483 2.760 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.091 1.053 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.603 1.479 1.151 1.00 0.00 H new ATOM 1164 N VAL A 80 63.596 -1.678 -1.558 1.00 0.00 N ATOM 1165 CA VAL A 80 63.991 -3.115 -1.490 1.00 0.00 C ATOM 1166 C VAL A 80 65.152 -3.291 -0.506 1.00 0.00 C ATOM 1167 O VAL A 80 65.222 -4.263 0.219 1.00 0.00 O ATOM 1168 CB VAL A 80 64.427 -3.490 -2.910 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.412 -2.959 -3.927 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.801 -2.882 -3.202 1.00 0.00 C ATOM 0 H VAL A 80 63.857 -1.195 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 80 63.175 -3.749 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 80 64.481 -4.576 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.730 -3.230 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.433 -3.395 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.350 -1.874 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.110 -3.150 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.745 -1.797 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.528 -3.266 -2.487 1.00 0.00 H new ATOM 1180 N MET A 81 66.064 -2.358 -0.476 1.00 0.00 N ATOM 1181 CA MET A 81 67.218 -2.471 0.462 1.00 0.00 C ATOM 1182 C MET A 81 66.723 -2.435 1.909 1.00 0.00 C ATOM 1183 O MET A 81 67.414 -2.839 2.824 1.00 0.00 O ATOM 1184 CB MET A 81 68.093 -1.254 0.161 1.00 0.00 C ATOM 1185 CG MET A 81 69.349 -1.697 -0.594 1.00 0.00 C ATOM 1186 SD MET A 81 68.879 -2.745 -1.993 1.00 0.00 S ATOM 1187 CE MET A 81 68.254 -1.428 -3.064 1.00 0.00 C ATOM 0 H MET A 81 66.060 -1.522 -1.060 1.00 0.00 H new ATOM 0 HA MET A 81 67.766 -3.405 0.337 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.535 -0.531 -0.434 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.372 -0.756 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.899 -0.825 -0.948 1.00 0.00 H new ATOM 0 HG3 MET A 81 70.014 -2.243 0.075 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.987 -1.845 -4.035 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.373 -0.976 -2.608 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.025 -0.669 -3.195 1.00 0.00 H new ATOM 1197 N MET A 82 65.528 -1.955 2.123 1.00 0.00 N ATOM 1198 CA MET A 82 64.986 -1.892 3.510 1.00 0.00 C ATOM 1199 C MET A 82 64.350 -3.231 3.893 1.00 0.00 C ATOM 1200 O MET A 82 64.588 -3.759 4.961 1.00 0.00 O ATOM 1201 CB MET A 82 63.926 -0.792 3.468 1.00 0.00 C ATOM 1202 CG MET A 82 64.493 0.436 2.753 1.00 0.00 C ATOM 1203 SD MET A 82 63.529 1.899 3.209 1.00 0.00 S ATOM 1204 CE MET A 82 64.600 2.469 4.552 1.00 0.00 C ATOM 0 H MET A 82 64.904 -1.604 1.397 1.00 0.00 H new ATOM 0 HA MET A 82 65.762 -1.687 4.247 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.036 -1.149 2.950 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.621 -0.528 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.539 0.577 3.025 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.461 0.288 1.674 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.680 3.556 4.517 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.175 2.167 5.509 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.591 2.029 4.439 1.00 0.00 H new ATOM 1214 N VAL A 83 63.540 -3.782 3.031 1.00 0.00 N ATOM 1215 CA VAL A 83 62.885 -5.084 3.349 1.00 0.00 C ATOM 1216 C VAL A 83 63.838 -6.246 3.057 1.00 0.00 C ATOM 1217 O VAL A 83 63.771 -7.287 3.679 1.00 0.00 O ATOM 1218 CB VAL A 83 61.663 -5.149 2.434 1.00 0.00 C ATOM 1219 CG1 VAL A 83 62.097 -4.992 0.976 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.967 -6.499 2.615 1.00 0.00 C ATOM 0 H VAL A 83 63.303 -3.388 2.121 1.00 0.00 H new ATOM 0 HA VAL A 83 62.610 -5.159 4.401 1.00 0.00 H new ATOM 0 HB VAL A 83 60.976 -4.343 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.221 -5.039 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.593 -4.030 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.786 -5.794 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.095 -6.549 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.658 -7.302 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.652 -6.610 3.653 1.00 0.00 H new ATOM 1230 N ARG A 84 64.724 -6.078 2.116 1.00 0.00 N ATOM 1231 CA ARG A 84 65.677 -7.176 1.790 1.00 0.00 C ATOM 1232 C ARG A 84 66.633 -7.401 2.963 1.00 0.00 C ATOM 1233 O ARG A 84 67.096 -8.500 3.198 1.00 0.00 O ATOM 1234 CB ARG A 84 66.437 -6.690 0.556 1.00 0.00 C ATOM 1235 CG ARG A 84 65.542 -6.818 -0.678 1.00 0.00 C ATOM 1236 CD ARG A 84 66.358 -6.505 -1.935 1.00 0.00 C ATOM 1237 NE ARG A 84 66.779 -7.833 -2.459 1.00 0.00 N ATOM 1238 CZ ARG A 84 67.835 -7.930 -3.220 1.00 0.00 C ATOM 1239 NH1 ARG A 84 69.015 -8.081 -2.683 1.00 0.00 N ATOM 1240 NH2 ARG A 84 67.711 -7.874 -4.519 1.00 0.00 N ATOM 0 H ARG A 84 64.830 -5.230 1.559 1.00 0.00 H new ATOM 0 HA ARG A 84 65.173 -8.124 1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.744 -5.653 0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 84 67.346 -7.276 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 84 65.131 -7.826 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.697 -6.134 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.762 -5.962 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 84 67.221 -5.881 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 84 66.242 -8.668 -2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 84 69.112 -8.123 -1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 84 69.840 -8.157 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 84 66.789 -7.754 -4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 84 68.536 -7.950 -5.114 1.00 0.00 H new ATOM 1254 N GLN A 85 66.927 -6.368 3.706 1.00 0.00 N ATOM 1255 CA GLN A 85 67.846 -6.524 4.869 1.00 0.00 C ATOM 1256 C GLN A 85 67.060 -6.991 6.096 1.00 0.00 C ATOM 1257 O GLN A 85 67.518 -7.813 6.864 1.00 0.00 O ATOM 1258 CB GLN A 85 68.433 -5.132 5.103 1.00 0.00 C ATOM 1259 CG GLN A 85 69.566 -5.221 6.128 1.00 0.00 C ATOM 1260 CD GLN A 85 70.697 -6.088 5.569 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.310 -6.847 6.292 1.00 0.00 O ATOM 1262 NE2 GLN A 85 71.002 -6.004 4.302 1.00 0.00 N ATOM 0 H GLN A 85 66.571 -5.424 3.558 1.00 0.00 H new ATOM 0 HA GLN A 85 68.625 -7.265 4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.808 -4.722 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.658 -4.454 5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.939 -4.224 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.194 -5.647 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.487 -5.366 3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.755 -6.576 3.920 1.00 0.00 H new ATOM 1271 N MET A 86 65.875 -6.475 6.285 1.00 0.00 N ATOM 1272 CA MET A 86 65.061 -6.894 7.461 1.00 0.00 C ATOM 1273 C MET A 86 64.449 -8.272 7.207 1.00 0.00 C ATOM 1274 O MET A 86 64.155 -9.010 8.127 1.00 0.00 O ATOM 1275 CB MET A 86 63.967 -5.835 7.590 1.00 0.00 C ATOM 1276 CG MET A 86 64.162 -5.065 8.897 1.00 0.00 C ATOM 1277 SD MET A 86 62.579 -4.934 9.765 1.00 0.00 S ATOM 1278 CE MET A 86 61.911 -3.549 8.811 1.00 0.00 C ATOM 0 H MET A 86 65.437 -5.783 5.677 1.00 0.00 H new ATOM 0 HA MET A 86 65.657 -6.970 8.371 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.005 -5.151 6.742 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.984 -6.307 7.575 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.892 -5.575 9.526 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.558 -4.071 8.690 1.00 0.00 H new ATOM 0 HE1 MET A 86 60.919 -3.295 9.184 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.569 -2.686 8.913 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.842 -3.831 7.760 1.00 0.00 H new ATOM 1288 N LYS A 87 64.261 -8.631 5.966 1.00 0.00 N ATOM 1289 CA LYS A 87 63.675 -9.967 5.663 1.00 0.00 C ATOM 1290 C LYS A 87 64.424 -11.041 6.454 1.00 0.00 C ATOM 1291 O LYS A 87 63.899 -12.098 6.741 1.00 0.00 O ATOM 1292 CB LYS A 87 63.875 -10.161 4.160 1.00 0.00 C ATOM 1293 CG LYS A 87 62.622 -9.696 3.415 1.00 0.00 C ATOM 1294 CD LYS A 87 61.771 -10.909 3.038 1.00 0.00 C ATOM 1295 CE LYS A 87 61.134 -11.499 4.300 1.00 0.00 C ATOM 1296 NZ LYS A 87 60.211 -12.559 3.805 1.00 0.00 N ATOM 0 H LYS A 87 64.487 -8.059 5.152 1.00 0.00 H new ATOM 0 HA LYS A 87 62.622 -10.037 5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.743 -9.595 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.073 -11.210 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.046 -9.015 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.903 -9.143 2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 87 60.996 -10.617 2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.388 -11.660 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.890 -11.913 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.595 -10.737 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.736 -13.011 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.499 -12.134 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.753 -13.273 3.279 1.00 0.00 H new ATOM 1310 N GLU A 88 65.648 -10.768 6.815 1.00 0.00 N ATOM 1311 CA GLU A 88 66.435 -11.760 7.599 1.00 0.00 C ATOM 1312 C GLU A 88 66.366 -11.410 9.087 1.00 0.00 C ATOM 1313 O GLU A 88 66.310 -12.275 9.938 1.00 0.00 O ATOM 1314 CB GLU A 88 67.867 -11.630 7.083 1.00 0.00 C ATOM 1315 CG GLU A 88 68.079 -12.592 5.912 1.00 0.00 C ATOM 1316 CD GLU A 88 68.147 -14.028 6.436 1.00 0.00 C ATOM 1317 OE1 GLU A 88 67.961 -14.212 7.627 1.00 0.00 O ATOM 1318 OE2 GLU A 88 68.383 -14.919 5.636 1.00 0.00 O ATOM 0 H GLU A 88 66.137 -9.899 6.600 1.00 0.00 H new ATOM 0 HA GLU A 88 66.058 -12.776 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.058 -10.605 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.574 -11.852 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.264 -12.494 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.000 -12.342 5.385 1.00 0.00 H new ATOM 1325 N ASP A 89 66.364 -10.142 9.406 1.00 0.00 N ATOM 1326 CA ASP A 89 66.293 -9.733 10.837 1.00 0.00 C ATOM 1327 C ASP A 89 64.851 -9.831 11.340 1.00 0.00 C ATOM 1328 O ASP A 89 64.604 -10.072 12.505 1.00 0.00 O ATOM 1329 CB ASP A 89 66.773 -8.283 10.859 1.00 0.00 C ATOM 1330 CG ASP A 89 68.273 -8.246 11.160 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.624 -8.308 12.326 1.00 0.00 O ATOM 1332 OD2 ASP A 89 69.044 -8.159 10.218 1.00 0.00 O ATOM 0 H ASP A 89 66.408 -9.374 8.737 1.00 0.00 H new ATOM 0 HA ASP A 89 66.899 -10.370 11.481 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.572 -7.808 9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.226 -7.719 11.614 1.00 0.00 H new ATOM 1337 N ALA A 90 63.896 -9.646 10.470 1.00 0.00 N ATOM 1338 CA ALA A 90 62.471 -9.731 10.901 1.00 0.00 C ATOM 1339 C ALA A 90 62.085 -11.191 11.155 1.00 0.00 C ATOM 1340 O ALA A 90 61.161 -11.660 10.511 1.00 0.00 O ATOM 1341 CB ALA A 90 61.666 -9.159 9.734 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.721 -11.814 11.990 1.00 0.00 O ATOM 0 H ALA A 90 64.040 -9.440 9.481 1.00 0.00 H new ATOM 0 HA ALA A 90 62.286 -9.186 11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.604 -9.188 9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.969 -8.128 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.850 -9.753 8.839 1.00 0.00 H new