USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 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 51 GLN : amide:sc= -3.31! C(o=-3.3!,f=-2.9!) USER MOD Set 1.2: A 86 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 2.1: A 46 MET CE :methyl -163:sc= -3.15! (180deg=-5.21!) USER MOD Set 2.2: A 85 GLN : amide:sc= -4.82! C(o=-8!,f=-13!) USER MOD Single : A 3 MET CE :methyl 154:sc= -3.09! (180deg=-3.87!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -6.02! C(o=-6!,f=-7.7!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.173 USER MOD Single : A 18 MET CE :methyl 142:sc= -2.11 (180deg=-5.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 173:sc= 1.2 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 171:sc= 0.0559 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.42! C(o=-4.4!,f=-7.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -3.94! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 156:sc= 0.811 USER MOD Single : A 81 MET CE :methyl -173:sc= -6.87 (180deg=-7.01) USER MOD Single : A 82 MET CE :methyl 148:sc= -8.51! (180deg=-11!) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc=0.000168 (180deg=6.1e-05) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.872 -6.670 -10.534 1.00 0.00 N ATOM 25 CA MET A 3 64.748 -5.626 -9.476 1.00 0.00 C ATOM 26 C MET A 3 63.512 -4.759 -9.730 1.00 0.00 C ATOM 27 O MET A 3 62.779 -4.424 -8.821 1.00 0.00 O ATOM 28 CB MET A 3 66.023 -4.790 -9.595 1.00 0.00 C ATOM 29 CG MET A 3 66.901 -5.017 -8.364 1.00 0.00 C ATOM 30 SD MET A 3 66.951 -3.503 -7.372 1.00 0.00 S ATOM 31 CE MET A 3 68.531 -2.878 -7.993 1.00 0.00 C ATOM 0 HA MET A 3 64.634 -6.057 -8.481 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.567 -5.065 -10.498 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.770 -3.733 -9.684 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.507 -5.841 -7.770 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.909 -5.298 -8.670 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.557 -1.793 -7.895 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.347 -3.314 -7.416 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.643 -3.150 -9.042 1.00 0.00 H new ATOM 41 N THR A 4 63.277 -4.394 -10.960 1.00 0.00 N ATOM 42 CA THR A 4 62.089 -3.549 -11.273 1.00 0.00 C ATOM 43 C THR A 4 60.822 -4.177 -10.685 1.00 0.00 C ATOM 44 O THR A 4 59.841 -3.505 -10.438 1.00 0.00 O ATOM 45 CB THR A 4 62.015 -3.519 -12.801 1.00 0.00 C ATOM 46 OG1 THR A 4 61.028 -2.581 -13.208 1.00 0.00 O ATOM 47 CG2 THR A 4 61.648 -4.908 -13.324 1.00 0.00 C ATOM 0 H THR A 4 63.856 -4.644 -11.762 1.00 0.00 H new ATOM 0 HA THR A 4 62.172 -2.548 -10.850 1.00 0.00 H new ATOM 0 HB THR A 4 62.984 -3.226 -13.206 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.981 -2.560 -14.187 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.596 -4.885 -14.412 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.406 -5.626 -13.012 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.680 -5.205 -12.921 1.00 0.00 H new ATOM 55 N ASP A 5 60.836 -5.463 -10.458 1.00 0.00 N ATOM 56 CA ASP A 5 59.632 -6.130 -9.886 1.00 0.00 C ATOM 57 C ASP A 5 59.657 -6.047 -8.358 1.00 0.00 C ATOM 58 O ASP A 5 58.793 -5.452 -7.745 1.00 0.00 O ATOM 59 CB ASP A 5 59.727 -7.585 -10.346 1.00 0.00 C ATOM 60 CG ASP A 5 58.394 -8.290 -10.089 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.620 -7.778 -9.297 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.169 -9.328 -10.689 1.00 0.00 O ATOM 0 H ASP A 5 61.628 -6.079 -10.644 1.00 0.00 H new ATOM 0 HA ASP A 5 58.705 -5.659 -10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.974 -7.627 -11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.529 -8.095 -9.812 1.00 0.00 H new ATOM 67 N GLN A 6 60.642 -6.636 -7.738 1.00 0.00 N ATOM 68 CA GLN A 6 60.720 -6.584 -6.250 1.00 0.00 C ATOM 69 C GLN A 6 60.608 -5.136 -5.770 1.00 0.00 C ATOM 70 O GLN A 6 60.283 -4.872 -4.629 1.00 0.00 O ATOM 71 CB GLN A 6 62.091 -7.164 -5.901 1.00 0.00 C ATOM 72 CG GLN A 6 61.968 -8.044 -4.655 1.00 0.00 C ATOM 73 CD GLN A 6 63.340 -8.618 -4.291 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.563 -9.019 -3.166 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.275 -8.677 -5.200 1.00 0.00 N ATOM 0 H GLN A 6 61.395 -7.150 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 6 59.913 -7.141 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.474 -7.749 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.804 -6.359 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 6 61.575 -7.460 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.261 -8.853 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.090 -8.341 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 6 65.191 -9.059 -4.965 1.00 0.00 H new ATOM 84 N GLN A 7 60.872 -4.193 -6.634 1.00 0.00 N ATOM 85 CA GLN A 7 60.777 -2.763 -6.228 1.00 0.00 C ATOM 86 C GLN A 7 59.347 -2.433 -5.794 1.00 0.00 C ATOM 87 O GLN A 7 59.129 -1.743 -4.819 1.00 0.00 O ATOM 88 CB GLN A 7 61.154 -1.970 -7.480 1.00 0.00 C ATOM 89 CG GLN A 7 60.752 -0.506 -7.296 1.00 0.00 C ATOM 90 CD GLN A 7 59.610 -0.165 -8.255 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.823 -0.019 -9.443 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.400 -0.033 -7.789 1.00 0.00 N ATOM 0 H GLN A 7 61.149 -4.352 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 7 61.428 -2.528 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 7 62.226 -2.044 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.654 -2.389 -8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.441 -0.330 -6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.607 0.143 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 7 58.221 -0.155 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.632 0.193 -8.421 1.00 0.00 H new ATOM 101 N ALA A 8 58.372 -2.924 -6.510 1.00 0.00 N ATOM 102 CA ALA A 8 56.956 -2.642 -6.139 1.00 0.00 C ATOM 103 C ALA A 8 56.560 -3.466 -4.912 1.00 0.00 C ATOM 104 O ALA A 8 55.856 -3.001 -4.038 1.00 0.00 O ATOM 105 CB ALA A 8 56.135 -3.063 -7.358 1.00 0.00 C ATOM 0 H ALA A 8 58.495 -3.509 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 8 56.795 -1.595 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.077 -2.886 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.447 -2.481 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.295 -4.123 -7.556 1.00 0.00 H new ATOM 111 N GLU A 9 57.012 -4.688 -4.838 1.00 0.00 N ATOM 112 CA GLU A 9 56.665 -5.538 -3.663 1.00 0.00 C ATOM 113 C GLU A 9 57.555 -5.165 -2.476 1.00 0.00 C ATOM 114 O GLU A 9 57.284 -5.520 -1.345 1.00 0.00 O ATOM 115 CB GLU A 9 56.943 -6.973 -4.112 1.00 0.00 C ATOM 116 CG GLU A 9 56.954 -7.897 -2.893 1.00 0.00 C ATOM 117 CD GLU A 9 55.653 -7.723 -2.108 1.00 0.00 C ATOM 118 OE1 GLU A 9 54.644 -7.433 -2.729 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.686 -7.883 -0.899 1.00 0.00 O ATOM 0 H GLU A 9 57.605 -5.134 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 9 55.630 -5.409 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.181 -7.298 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.901 -7.024 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 9 57.063 -8.934 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 9 57.808 -7.667 -2.257 1.00 0.00 H new ATOM 126 N ALA A 10 58.616 -4.448 -2.725 1.00 0.00 N ATOM 127 CA ALA A 10 59.525 -4.047 -1.615 1.00 0.00 C ATOM 128 C ALA A 10 58.815 -3.065 -0.680 1.00 0.00 C ATOM 129 O ALA A 10 59.060 -3.038 0.509 1.00 0.00 O ATOM 130 CB ALA A 10 60.716 -3.376 -2.302 1.00 0.00 C ATOM 0 H ALA A 10 58.893 -4.122 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 10 59.834 -4.896 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.434 -3.051 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.194 -4.086 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.369 -2.513 -2.870 1.00 0.00 H new ATOM 136 N ARG A 11 57.932 -2.259 -1.207 1.00 0.00 N ATOM 137 CA ARG A 11 57.205 -1.283 -0.340 1.00 0.00 C ATOM 138 C ARG A 11 55.966 -1.948 0.260 1.00 0.00 C ATOM 139 O ARG A 11 55.584 -1.681 1.381 1.00 0.00 O ATOM 140 CB ARG A 11 56.784 -0.129 -1.259 1.00 0.00 C ATOM 141 CG ARG A 11 57.848 0.123 -2.330 1.00 0.00 C ATOM 142 CD ARG A 11 57.308 -0.323 -3.690 1.00 0.00 C ATOM 143 NE ARG A 11 55.997 0.371 -3.829 1.00 0.00 N ATOM 144 CZ ARG A 11 55.927 1.666 -3.687 1.00 0.00 C ATOM 145 NH1 ARG A 11 56.434 2.452 -4.598 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.347 2.178 -2.635 1.00 0.00 N ATOM 0 H ARG A 11 57.683 -2.233 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 11 57.830 -0.932 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.831 -0.364 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.632 0.775 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.109 1.181 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.760 -0.424 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.989 -0.046 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 11 57.188 -1.406 -3.732 1.00 0.00 H new ATOM 0 HE ARG A 11 55.155 -0.166 -4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 11 56.885 2.054 -5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.379 3.464 -4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.948 1.565 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.293 3.191 -2.525 1.00 0.00 H new ATOM 160 N ALA A 12 55.333 -2.811 -0.486 1.00 0.00 N ATOM 161 CA ALA A 12 54.115 -3.494 0.028 1.00 0.00 C ATOM 162 C ALA A 12 54.480 -4.452 1.165 1.00 0.00 C ATOM 163 O ALA A 12 53.623 -4.997 1.830 1.00 0.00 O ATOM 164 CB ALA A 12 53.568 -4.266 -1.172 1.00 0.00 C ATOM 0 H ALA A 12 55.609 -3.073 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 12 53.385 -2.793 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.665 -4.801 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.332 -3.569 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.316 -4.979 -1.518 1.00 0.00 H new ATOM 170 N PHE A 13 55.748 -4.659 1.395 1.00 0.00 N ATOM 171 CA PHE A 13 56.166 -5.582 2.489 1.00 0.00 C ATOM 172 C PHE A 13 55.674 -5.052 3.842 1.00 0.00 C ATOM 173 O PHE A 13 55.414 -5.808 4.757 1.00 0.00 O ATOM 174 CB PHE A 13 57.696 -5.593 2.432 1.00 0.00 C ATOM 175 CG PHE A 13 58.251 -6.127 3.732 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.909 -7.414 4.164 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.104 -5.333 4.504 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.422 -7.906 5.370 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.616 -5.823 5.710 1.00 0.00 C ATOM 180 CZ PHE A 13 59.275 -7.110 6.144 1.00 0.00 C ATOM 0 H PHE A 13 56.512 -4.229 0.873 1.00 0.00 H new ATOM 0 HA PHE A 13 55.750 -6.583 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.034 -6.211 1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.070 -4.585 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.250 -8.027 3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.368 -4.341 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.160 -8.899 5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.274 -5.209 6.306 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.670 -7.488 7.075 1.00 0.00 H new ATOM 190 N LEU A 14 55.541 -3.760 3.973 1.00 0.00 N ATOM 191 CA LEU A 14 55.062 -3.190 5.266 1.00 0.00 C ATOM 192 C LEU A 14 53.900 -2.220 5.027 1.00 0.00 C ATOM 193 O LEU A 14 53.379 -2.118 3.934 1.00 0.00 O ATOM 194 CB LEU A 14 56.268 -2.466 5.895 1.00 0.00 C ATOM 195 CG LEU A 14 57.012 -1.583 4.873 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.835 -2.456 3.924 1.00 0.00 C ATOM 197 CD2 LEU A 14 56.019 -0.740 4.065 1.00 0.00 C ATOM 0 H LEU A 14 55.742 -3.076 3.244 1.00 0.00 H new ATOM 0 HA LEU A 14 54.689 -3.969 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 14 55.927 -1.849 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.958 -3.202 6.307 1.00 0.00 H new ATOM 0 HG LEU A 14 57.679 -0.915 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.356 -1.822 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.563 -3.030 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 57.173 -3.139 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 14 56.563 -0.124 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 14 55.334 -1.398 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 14 55.453 -0.098 4.740 1.00 0.00 H new ATOM 209 N SER A 15 53.492 -1.507 6.040 1.00 0.00 N ATOM 210 CA SER A 15 52.367 -0.545 5.869 1.00 0.00 C ATOM 211 C SER A 15 52.909 0.848 5.542 1.00 0.00 C ATOM 212 O SER A 15 54.021 1.191 5.894 1.00 0.00 O ATOM 213 CB SER A 15 51.645 -0.538 7.217 1.00 0.00 C ATOM 214 OG SER A 15 52.527 -1.014 8.225 1.00 0.00 O ATOM 0 H SER A 15 53.889 -1.549 6.979 1.00 0.00 H new ATOM 0 HA SER A 15 51.702 -0.826 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.310 0.471 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.756 -1.166 7.169 1.00 0.00 H new ATOM 0 HG SER A 15 52.068 -1.009 9.091 1.00 0.00 H new ATOM 220 N GLU A 16 52.134 1.654 4.868 1.00 0.00 N ATOM 221 CA GLU A 16 52.607 3.025 4.518 1.00 0.00 C ATOM 222 C GLU A 16 53.317 3.660 5.717 1.00 0.00 C ATOM 223 O GLU A 16 54.307 4.349 5.569 1.00 0.00 O ATOM 224 CB GLU A 16 51.339 3.804 4.170 1.00 0.00 C ATOM 225 CG GLU A 16 51.714 5.078 3.410 1.00 0.00 C ATOM 226 CD GLU A 16 50.487 5.985 3.297 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.737 6.058 4.257 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.318 6.593 2.252 1.00 0.00 O ATOM 0 H GLU A 16 51.195 1.423 4.545 1.00 0.00 H new ATOM 0 HA GLU A 16 53.320 3.019 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.676 3.188 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.794 4.058 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.519 5.600 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.086 4.826 2.417 1.00 0.00 H new ATOM 235 N GLU A 17 52.818 3.435 6.901 1.00 0.00 N ATOM 236 CA GLU A 17 53.464 4.026 8.108 1.00 0.00 C ATOM 237 C GLU A 17 54.978 3.805 8.061 1.00 0.00 C ATOM 238 O GLU A 17 55.754 4.706 8.308 1.00 0.00 O ATOM 239 CB GLU A 17 52.847 3.280 9.293 1.00 0.00 C ATOM 240 CG GLU A 17 51.355 3.604 9.378 1.00 0.00 C ATOM 241 CD GLU A 17 50.985 3.935 10.824 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.197 5.069 11.224 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.496 3.051 11.507 1.00 0.00 O ATOM 0 H GLU A 17 51.991 2.867 7.086 1.00 0.00 H new ATOM 0 HA GLU A 17 53.304 5.102 8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.991 2.206 9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.346 3.569 10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.118 4.447 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.768 2.756 9.026 1.00 0.00 H new ATOM 250 N MET A 18 55.404 2.612 7.746 1.00 0.00 N ATOM 251 CA MET A 18 56.868 2.338 7.683 1.00 0.00 C ATOM 252 C MET A 18 57.514 3.190 6.587 1.00 0.00 C ATOM 253 O MET A 18 58.445 3.931 6.833 1.00 0.00 O ATOM 254 CB MET A 18 56.980 0.851 7.345 1.00 0.00 C ATOM 255 CG MET A 18 58.395 0.362 7.658 1.00 0.00 C ATOM 256 SD MET A 18 58.325 -0.891 8.963 1.00 0.00 S ATOM 257 CE MET A 18 59.559 -0.150 10.059 1.00 0.00 C ATOM 0 H MET A 18 54.803 1.817 7.530 1.00 0.00 H new ATOM 0 HA MET A 18 57.376 2.580 8.616 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.251 0.280 7.920 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.752 0.688 6.292 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.853 -0.056 6.762 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.019 1.198 7.975 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.249 -0.280 11.096 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.522 -0.637 9.904 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.650 0.913 9.838 1.00 0.00 H new ATOM 267 N ILE A 19 57.026 3.093 5.381 1.00 0.00 N ATOM 268 CA ILE A 19 57.613 3.903 4.276 1.00 0.00 C ATOM 269 C ILE A 19 57.861 5.335 4.756 1.00 0.00 C ATOM 270 O ILE A 19 58.884 5.927 4.474 1.00 0.00 O ATOM 271 CB ILE A 19 56.564 3.877 3.164 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.615 2.523 2.450 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.857 4.992 2.158 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.219 1.897 2.443 1.00 0.00 C ATOM 0 H ILE A 19 56.248 2.490 5.113 1.00 0.00 H new ATOM 0 HA ILE A 19 58.571 3.511 3.934 1.00 0.00 H new ATOM 0 HB ILE A 19 55.574 4.027 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.973 2.652 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 19 57.320 1.861 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.109 4.973 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.825 5.957 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.847 4.842 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.255 0.933 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.879 1.754 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.527 2.557 1.920 1.00 0.00 H new ATOM 286 N ALA A 20 56.934 5.893 5.486 1.00 0.00 N ATOM 287 CA ALA A 20 57.121 7.284 5.990 1.00 0.00 C ATOM 288 C ALA A 20 58.197 7.301 7.079 1.00 0.00 C ATOM 289 O ALA A 20 58.928 8.259 7.229 1.00 0.00 O ATOM 290 CB ALA A 20 55.763 7.684 6.567 1.00 0.00 C ATOM 0 H ALA A 20 56.057 5.447 5.755 1.00 0.00 H new ATOM 0 HA ALA A 20 57.445 7.971 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.819 8.699 6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.007 7.639 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.493 6.999 7.371 1.00 0.00 H new ATOM 296 N GLU A 21 58.299 6.244 7.837 1.00 0.00 N ATOM 297 CA GLU A 21 59.328 6.194 8.914 1.00 0.00 C ATOM 298 C GLU A 21 60.729 6.177 8.296 1.00 0.00 C ATOM 299 O GLU A 21 61.667 6.721 8.843 1.00 0.00 O ATOM 300 CB GLU A 21 59.056 4.890 9.665 1.00 0.00 C ATOM 301 CG GLU A 21 60.251 4.556 10.561 1.00 0.00 C ATOM 302 CD GLU A 21 59.753 3.944 11.871 1.00 0.00 C ATOM 303 OE1 GLU A 21 58.565 4.036 12.132 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.569 3.393 12.592 1.00 0.00 O ATOM 0 H GLU A 21 57.714 5.412 7.757 1.00 0.00 H new ATOM 0 HA GLU A 21 59.279 7.059 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.153 4.987 10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 21 58.882 4.080 8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.917 3.859 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 21 60.829 5.457 10.765 1.00 0.00 H new ATOM 311 N PHE A 22 60.874 5.556 7.157 1.00 0.00 N ATOM 312 CA PHE A 22 62.212 5.505 6.502 1.00 0.00 C ATOM 313 C PHE A 22 62.483 6.815 5.756 1.00 0.00 C ATOM 314 O PHE A 22 63.611 7.140 5.444 1.00 0.00 O ATOM 315 CB PHE A 22 62.129 4.334 5.518 1.00 0.00 C ATOM 316 CG PHE A 22 61.875 3.042 6.267 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.032 2.984 7.659 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.481 1.899 5.562 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.796 1.784 8.342 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.245 0.699 6.244 1.00 0.00 C ATOM 321 CZ PHE A 22 61.403 0.642 7.634 1.00 0.00 C ATOM 0 H PHE A 22 60.125 5.082 6.652 1.00 0.00 H new ATOM 0 HA PHE A 22 63.020 5.375 7.222 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.329 4.510 4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.057 4.259 4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.335 3.865 8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.359 1.943 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.917 1.740 9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.941 -0.182 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.222 -0.283 8.160 1.00 0.00 H new ATOM 331 N LYS A 23 61.457 7.568 5.468 1.00 0.00 N ATOM 332 CA LYS A 23 61.657 8.856 4.744 1.00 0.00 C ATOM 333 C LYS A 23 62.554 9.789 5.562 1.00 0.00 C ATOM 334 O LYS A 23 63.671 10.082 5.186 1.00 0.00 O ATOM 335 CB LYS A 23 60.256 9.450 4.600 1.00 0.00 C ATOM 336 CG LYS A 23 59.531 8.774 3.435 1.00 0.00 C ATOM 337 CD LYS A 23 60.047 9.345 2.113 1.00 0.00 C ATOM 338 CE LYS A 23 58.998 10.289 1.521 1.00 0.00 C ATOM 339 NZ LYS A 23 58.059 9.402 0.779 1.00 0.00 N ATOM 0 H LYS A 23 60.489 7.347 5.702 1.00 0.00 H new ATOM 0 HA LYS A 23 62.142 8.716 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.693 9.309 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.321 10.524 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.695 7.697 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.456 8.936 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.982 9.880 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.260 8.536 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.481 10.845 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.456 11.022 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.309 9.977 0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.578 8.890 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.633 8.719 1.438 1.00 0.00 H new ATOM 353 N ALA A 24 62.071 10.259 6.680 1.00 0.00 N ATOM 354 CA ALA A 24 62.894 11.175 7.523 1.00 0.00 C ATOM 355 C ALA A 24 64.215 10.500 7.908 1.00 0.00 C ATOM 356 O ALA A 24 65.150 11.147 8.334 1.00 0.00 O ATOM 357 CB ALA A 24 62.045 11.437 8.766 1.00 0.00 C ATOM 0 H ALA A 24 61.143 10.049 7.047 1.00 0.00 H new ATOM 0 HA ALA A 24 63.150 12.097 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.582 12.105 9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.102 11.899 8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.844 10.494 9.275 1.00 0.00 H new ATOM 363 N ALA A 25 64.297 9.207 7.761 1.00 0.00 N ATOM 364 CA ALA A 25 65.558 8.496 8.120 1.00 0.00 C ATOM 365 C ALA A 25 66.450 8.343 6.885 1.00 0.00 C ATOM 366 O ALA A 25 67.611 8.699 6.899 1.00 0.00 O ATOM 367 CB ALA A 25 65.108 7.127 8.630 1.00 0.00 C ATOM 0 H ALA A 25 63.547 8.612 7.409 1.00 0.00 H new ATOM 0 HA ALA A 25 66.140 9.038 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 25 65.981 6.540 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.459 7.257 9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.563 6.607 7.843 1.00 0.00 H new ATOM 373 N PHE A 26 65.915 7.818 5.817 1.00 0.00 N ATOM 374 CA PHE A 26 66.731 7.644 4.582 1.00 0.00 C ATOM 375 C PHE A 26 67.192 9.007 4.056 1.00 0.00 C ATOM 376 O PHE A 26 68.303 9.158 3.588 1.00 0.00 O ATOM 377 CB PHE A 26 65.793 6.970 3.579 1.00 0.00 C ATOM 378 CG PHE A 26 66.380 7.070 2.192 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.092 8.181 1.389 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.212 6.054 1.708 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.637 8.275 0.103 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.757 6.148 0.422 1.00 0.00 C ATOM 383 CZ PHE A 26 67.469 7.258 -0.380 1.00 0.00 C ATOM 0 H PHE A 26 64.948 7.502 5.746 1.00 0.00 H new ATOM 0 HA PHE A 26 67.629 7.053 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.647 5.924 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.813 7.446 3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.450 8.965 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.434 5.197 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.416 9.132 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.399 5.364 0.049 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.889 7.330 -1.372 1.00 0.00 H new ATOM 393 N ASP A 27 66.347 9.999 4.131 1.00 0.00 N ATOM 394 CA ASP A 27 66.738 11.350 3.636 1.00 0.00 C ATOM 395 C ASP A 27 67.850 11.933 4.514 1.00 0.00 C ATOM 396 O ASP A 27 68.415 12.965 4.213 1.00 0.00 O ATOM 397 CB ASP A 27 65.469 12.195 3.745 1.00 0.00 C ATOM 398 CG ASP A 27 65.145 12.810 2.382 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.842 13.732 1.988 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.206 12.349 1.754 1.00 0.00 O ATOM 0 H ASP A 27 65.404 9.933 4.513 1.00 0.00 H new ATOM 0 HA ASP A 27 67.121 11.322 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.637 11.578 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.606 12.981 4.487 1.00 0.00 H new ATOM 405 N MET A 28 68.165 11.279 5.599 1.00 0.00 N ATOM 406 CA MET A 28 69.238 11.797 6.496 1.00 0.00 C ATOM 407 C MET A 28 70.544 11.971 5.719 1.00 0.00 C ATOM 408 O MET A 28 71.436 12.684 6.136 1.00 0.00 O ATOM 409 CB MET A 28 69.401 10.726 7.577 1.00 0.00 C ATOM 410 CG MET A 28 68.202 10.773 8.528 1.00 0.00 C ATOM 411 SD MET A 28 68.468 12.065 9.767 1.00 0.00 S ATOM 412 CE MET A 28 67.600 11.253 11.132 1.00 0.00 C ATOM 0 H MET A 28 67.727 10.410 5.903 1.00 0.00 H new ATOM 0 HA MET A 28 68.987 12.771 6.917 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.476 9.740 7.118 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.325 10.891 8.131 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.288 10.973 7.969 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.073 9.807 9.016 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.640 11.887 12.017 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.560 11.085 10.853 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.077 10.297 11.349 1.00 0.00 H new ATOM 422 N PHE A 29 70.668 11.322 4.593 1.00 0.00 N ATOM 423 CA PHE A 29 71.925 11.452 3.797 1.00 0.00 C ATOM 424 C PHE A 29 71.604 11.894 2.367 1.00 0.00 C ATOM 425 O PHE A 29 72.177 11.407 1.413 1.00 0.00 O ATOM 426 CB PHE A 29 72.556 10.053 3.794 1.00 0.00 C ATOM 427 CG PHE A 29 72.303 9.367 5.118 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.133 8.621 5.304 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.233 9.483 6.158 1.00 0.00 C ATOM 430 CE1 PHE A 29 70.893 7.991 6.529 1.00 0.00 C ATOM 431 CE2 PHE A 29 72.993 8.852 7.384 1.00 0.00 C ATOM 432 CZ PHE A 29 71.822 8.106 7.570 1.00 0.00 C ATOM 0 H PHE A 29 69.958 10.710 4.190 1.00 0.00 H new ATOM 0 HA PHE A 29 72.598 12.198 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.138 9.459 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.628 10.129 3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.416 8.532 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.135 10.059 6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 29 69.990 7.415 6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.710 8.940 8.186 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.636 7.620 8.516 1.00 0.00 H new ATOM 442 N ASP A 30 70.693 12.815 2.211 1.00 0.00 N ATOM 443 CA ASP A 30 70.340 13.288 0.841 1.00 0.00 C ATOM 444 C ASP A 30 71.538 13.996 0.204 1.00 0.00 C ATOM 445 O ASP A 30 71.664 15.203 0.267 1.00 0.00 O ATOM 446 CB ASP A 30 69.184 14.268 1.046 1.00 0.00 C ATOM 447 CG ASP A 30 69.633 15.407 1.962 1.00 0.00 C ATOM 448 OD1 ASP A 30 70.439 15.150 2.842 1.00 0.00 O ATOM 449 OD2 ASP A 30 69.166 16.517 1.769 1.00 0.00 O ATOM 0 H ASP A 30 70.178 13.260 2.971 1.00 0.00 H new ATOM 0 HA ASP A 30 70.065 12.468 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.858 14.667 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.329 13.752 1.483 1.00 0.00 H new ATOM 490 N GLY A 35 65.978 12.635 -3.453 1.00 0.00 N ATOM 491 CA GLY A 35 65.338 11.378 -2.968 1.00 0.00 C ATOM 492 C GLY A 35 66.279 10.196 -3.211 1.00 0.00 C ATOM 493 O GLY A 35 65.852 9.064 -3.321 1.00 0.00 O ATOM 0 HA2 GLY A 35 65.109 11.461 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.393 11.216 -3.486 1.00 0.00 H new ATOM 497 N ASP A 36 67.557 10.449 -3.295 1.00 0.00 N ATOM 498 CA ASP A 36 68.522 9.337 -3.530 1.00 0.00 C ATOM 499 C ASP A 36 69.900 9.705 -2.972 1.00 0.00 C ATOM 500 O ASP A 36 70.461 10.730 -3.302 1.00 0.00 O ATOM 501 CB ASP A 36 68.583 9.181 -5.050 1.00 0.00 C ATOM 502 CG ASP A 36 68.995 10.510 -5.684 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.214 11.445 -5.615 1.00 0.00 O ATOM 504 OD2 ASP A 36 70.085 10.572 -6.229 1.00 0.00 O ATOM 0 H ASP A 36 67.974 11.376 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 36 68.217 8.414 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.297 8.402 -5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.612 8.869 -5.433 1.00 0.00 H new ATOM 509 N ILE A 37 70.449 8.875 -2.126 1.00 0.00 N ATOM 510 CA ILE A 37 71.790 9.178 -1.547 1.00 0.00 C ATOM 511 C ILE A 37 72.875 8.384 -2.280 1.00 0.00 C ATOM 512 O ILE A 37 72.596 7.426 -2.974 1.00 0.00 O ATOM 513 CB ILE A 37 71.698 8.736 -0.086 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.649 7.207 -0.019 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.428 9.313 0.542 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.714 6.758 1.441 1.00 0.00 C ATOM 0 H ILE A 37 70.027 8.001 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 37 72.051 10.232 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 37 72.570 9.097 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.733 6.841 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.482 6.781 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.362 8.998 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.460 10.401 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.556 8.951 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.679 5.670 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.643 7.111 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.867 7.173 1.987 1.00 0.00 H new ATOM 528 N SER A 38 74.111 8.776 -2.132 1.00 0.00 N ATOM 529 CA SER A 38 75.213 8.043 -2.820 1.00 0.00 C ATOM 530 C SER A 38 75.187 6.562 -2.432 1.00 0.00 C ATOM 531 O SER A 38 75.219 6.215 -1.269 1.00 0.00 O ATOM 532 CB SER A 38 76.496 8.706 -2.324 1.00 0.00 C ATOM 533 OG SER A 38 77.357 8.948 -3.429 1.00 0.00 O ATOM 0 H SER A 38 74.406 9.571 -1.565 1.00 0.00 H new ATOM 0 HA SER A 38 75.125 8.086 -3.906 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.263 9.643 -1.818 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.992 8.065 -1.595 1.00 0.00 H new ATOM 0 HG SER A 38 78.181 9.375 -3.114 1.00 0.00 H new ATOM 539 N THR A 39 75.131 5.687 -3.399 1.00 0.00 N ATOM 540 CA THR A 39 75.105 4.229 -3.084 1.00 0.00 C ATOM 541 C THR A 39 76.137 3.903 -2.001 1.00 0.00 C ATOM 542 O THR A 39 75.974 2.975 -1.234 1.00 0.00 O ATOM 543 CB THR A 39 75.466 3.534 -4.398 1.00 0.00 C ATOM 544 OG1 THR A 39 76.600 4.171 -4.970 1.00 0.00 O ATOM 545 CG2 THR A 39 74.285 3.622 -5.365 1.00 0.00 C ATOM 0 H THR A 39 75.102 5.918 -4.392 1.00 0.00 H new ATOM 0 HA THR A 39 74.136 3.905 -2.705 1.00 0.00 H new ATOM 0 HB THR A 39 75.696 2.486 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.905 3.659 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.543 3.127 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.416 3.134 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.052 4.669 -5.561 1.00 0.00 H new ATOM 553 N LYS A 40 77.198 4.661 -1.933 1.00 0.00 N ATOM 554 CA LYS A 40 78.239 4.393 -0.899 1.00 0.00 C ATOM 555 C LYS A 40 77.685 4.689 0.497 1.00 0.00 C ATOM 556 O LYS A 40 78.095 4.100 1.477 1.00 0.00 O ATOM 557 CB LYS A 40 79.384 5.349 -1.234 1.00 0.00 C ATOM 558 CG LYS A 40 80.435 5.294 -0.123 1.00 0.00 C ATOM 559 CD LYS A 40 81.741 5.912 -0.626 1.00 0.00 C ATOM 560 CE LYS A 40 82.083 7.142 0.220 1.00 0.00 C ATOM 561 NZ LYS A 40 83.397 7.612 -0.300 1.00 0.00 N ATOM 0 H LYS A 40 77.389 5.453 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 40 78.563 3.352 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.833 5.075 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.004 6.365 -1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.080 5.833 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.603 4.261 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.548 5.181 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.642 6.194 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.320 7.914 0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.145 6.889 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.699 8.454 0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 84.105 6.859 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.306 7.852 -1.308 1.00 0.00 H new ATOM 575 N GLU A 41 76.757 5.601 0.593 1.00 0.00 N ATOM 576 CA GLU A 41 76.175 5.937 1.923 1.00 0.00 C ATOM 577 C GLU A 41 74.901 5.122 2.163 1.00 0.00 C ATOM 578 O GLU A 41 74.296 5.191 3.215 1.00 0.00 O ATOM 579 CB GLU A 41 75.853 7.430 1.842 1.00 0.00 C ATOM 580 CG GLU A 41 75.121 7.867 3.110 1.00 0.00 C ATOM 581 CD GLU A 41 76.020 7.633 4.327 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.179 7.312 4.128 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.533 7.779 5.435 1.00 0.00 O ATOM 0 H GLU A 41 76.376 6.128 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 41 76.854 5.709 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.772 8.004 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 41 75.236 7.632 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.851 8.921 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.192 7.306 3.218 1.00 0.00 H new ATOM 590 N LEU A 42 74.489 4.351 1.194 1.00 0.00 N ATOM 591 CA LEU A 42 73.255 3.531 1.361 1.00 0.00 C ATOM 592 C LEU A 42 73.382 2.623 2.588 1.00 0.00 C ATOM 593 O LEU A 42 72.434 2.412 3.318 1.00 0.00 O ATOM 594 CB LEU A 42 73.163 2.696 0.083 1.00 0.00 C ATOM 595 CG LEU A 42 71.923 1.805 0.143 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.874 2.324 -0.842 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.308 0.371 -0.232 1.00 0.00 C ATOM 0 H LEU A 42 74.955 4.253 0.292 1.00 0.00 H new ATOM 0 HA LEU A 42 72.368 4.145 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.112 3.350 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.058 2.084 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 42 71.513 1.820 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 42 69.989 1.689 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.600 3.345 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.284 2.308 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.424 -0.266 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.718 0.357 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.056 0.000 0.468 1.00 0.00 H new ATOM 609 N GLY A 43 74.547 2.082 2.819 1.00 0.00 N ATOM 610 CA GLY A 43 74.735 1.184 3.994 1.00 0.00 C ATOM 611 C GLY A 43 74.315 1.912 5.272 1.00 0.00 C ATOM 612 O GLY A 43 73.536 1.409 6.056 1.00 0.00 O ATOM 0 H GLY A 43 75.378 2.223 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.143 0.277 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.778 0.876 4.065 1.00 0.00 H new ATOM 616 N THR A 44 74.825 3.092 5.492 1.00 0.00 N ATOM 617 CA THR A 44 74.457 3.848 6.724 1.00 0.00 C ATOM 618 C THR A 44 72.936 3.860 6.908 1.00 0.00 C ATOM 619 O THR A 44 72.424 3.504 7.951 1.00 0.00 O ATOM 620 CB THR A 44 74.984 5.268 6.487 1.00 0.00 C ATOM 621 OG1 THR A 44 76.379 5.300 6.751 1.00 0.00 O ATOM 622 CG2 THR A 44 74.267 6.251 7.415 1.00 0.00 C ATOM 0 H THR A 44 75.481 3.567 4.872 1.00 0.00 H new ATOM 0 HA THR A 44 74.878 3.401 7.625 1.00 0.00 H new ATOM 0 HB THR A 44 74.798 5.554 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.747 6.160 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.646 7.258 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.196 6.227 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.447 5.969 8.452 1.00 0.00 H new ATOM 630 N VAL A 45 72.212 4.271 5.904 1.00 0.00 N ATOM 631 CA VAL A 45 70.727 4.314 6.023 1.00 0.00 C ATOM 632 C VAL A 45 70.189 2.974 6.533 1.00 0.00 C ATOM 633 O VAL A 45 69.831 2.837 7.686 1.00 0.00 O ATOM 634 CB VAL A 45 70.230 4.588 4.603 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.739 4.259 4.507 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.448 6.066 4.267 1.00 0.00 C ATOM 0 H VAL A 45 72.584 4.579 5.006 1.00 0.00 H new ATOM 0 HA VAL A 45 70.392 5.073 6.730 1.00 0.00 H new ATOM 0 HB VAL A 45 70.783 3.966 3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.388 4.455 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.582 3.208 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.183 4.879 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 45 70.095 6.265 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.894 6.685 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.510 6.301 4.333 1.00 0.00 H new ATOM 646 N MET A 46 70.121 1.988 5.682 1.00 0.00 N ATOM 647 CA MET A 46 69.598 0.662 6.118 1.00 0.00 C ATOM 648 C MET A 46 70.153 0.291 7.497 1.00 0.00 C ATOM 649 O MET A 46 69.506 -0.383 8.274 1.00 0.00 O ATOM 650 CB MET A 46 70.080 -0.326 5.055 1.00 0.00 C ATOM 651 CG MET A 46 71.606 -0.288 4.967 1.00 0.00 C ATOM 652 SD MET A 46 72.151 -1.224 3.516 1.00 0.00 S ATOM 653 CE MET A 46 70.975 -2.592 3.666 1.00 0.00 C ATOM 0 H MET A 46 70.405 2.043 4.704 1.00 0.00 H new ATOM 0 HA MET A 46 68.512 0.661 6.210 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.746 -1.333 5.303 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.644 -0.075 4.088 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.951 0.744 4.898 1.00 0.00 H new ATOM 0 HG3 MET A 46 72.044 -0.711 5.871 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.316 -3.433 3.062 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.905 -2.899 4.710 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.994 -2.269 3.317 1.00 0.00 H new ATOM 663 N ARG A 47 71.344 0.724 7.810 1.00 0.00 N ATOM 664 CA ARG A 47 71.929 0.391 9.141 1.00 0.00 C ATOM 665 C ARG A 47 71.412 1.361 10.208 1.00 0.00 C ATOM 666 O ARG A 47 71.209 0.992 11.348 1.00 0.00 O ATOM 667 CB ARG A 47 73.440 0.545 8.965 1.00 0.00 C ATOM 668 CG ARG A 47 74.066 -0.827 8.704 1.00 0.00 C ATOM 669 CD ARG A 47 74.028 -1.656 9.990 1.00 0.00 C ATOM 670 NE ARG A 47 75.357 -2.322 10.061 1.00 0.00 N ATOM 671 CZ ARG A 47 75.738 -2.897 11.169 1.00 0.00 C ATOM 672 NH1 ARG A 47 74.854 -3.444 11.957 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.003 -2.924 11.490 1.00 0.00 N ATOM 0 H ARG A 47 71.936 1.292 7.204 1.00 0.00 H new ATOM 0 HA ARG A 47 71.658 -0.613 9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.653 1.218 8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.877 0.992 9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.524 -1.341 7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.095 -0.711 8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 47 73.857 -1.024 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.221 -2.388 9.963 1.00 0.00 H new ATOM 0 HE ARG A 47 75.969 -2.329 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 47 73.865 -3.422 11.707 1.00 0.00 H new ATOM 0 HH12 ARG A 47 75.151 -3.893 12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.695 -2.495 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.300 -3.374 12.356 1.00 0.00 H new ATOM 687 N MET A 48 71.202 2.597 9.849 1.00 0.00 N ATOM 688 CA MET A 48 70.703 3.590 10.846 1.00 0.00 C ATOM 689 C MET A 48 69.237 3.307 11.191 1.00 0.00 C ATOM 690 O MET A 48 68.656 3.955 12.039 1.00 0.00 O ATOM 691 CB MET A 48 70.840 4.947 10.156 1.00 0.00 C ATOM 692 CG MET A 48 72.082 5.664 10.686 1.00 0.00 C ATOM 693 SD MET A 48 71.900 5.952 12.464 1.00 0.00 S ATOM 694 CE MET A 48 71.207 7.620 12.354 1.00 0.00 C ATOM 0 H MET A 48 71.354 2.964 8.909 1.00 0.00 H new ATOM 0 HA MET A 48 71.261 3.550 11.782 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.917 4.812 9.077 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.952 5.552 10.339 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.971 5.064 10.493 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.218 6.612 10.165 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.013 8.000 13.357 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.915 8.276 11.848 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.274 7.590 11.791 1.00 0.00 H new ATOM 704 N LEU A 49 68.637 2.348 10.543 1.00 0.00 N ATOM 705 CA LEU A 49 67.210 2.030 10.838 1.00 0.00 C ATOM 706 C LEU A 49 67.120 0.863 11.825 1.00 0.00 C ATOM 707 O LEU A 49 66.353 0.891 12.766 1.00 0.00 O ATOM 708 CB LEU A 49 66.603 1.646 9.489 1.00 0.00 C ATOM 709 CG LEU A 49 66.579 2.872 8.575 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.441 2.425 7.119 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.391 3.762 8.949 1.00 0.00 C ATOM 0 H LEU A 49 69.071 1.771 9.823 1.00 0.00 H new ATOM 0 HA LEU A 49 66.685 2.869 11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.186 0.848 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.592 1.263 9.629 1.00 0.00 H new ATOM 0 HG LEU A 49 67.507 3.431 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.424 3.300 6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.286 1.791 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.514 1.865 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.372 4.636 8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.464 3.201 8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.489 4.083 9.986 1.00 0.00 H new ATOM 723 N GLY A 50 67.900 -0.165 11.619 1.00 0.00 N ATOM 724 CA GLY A 50 67.858 -1.329 12.549 1.00 0.00 C ATOM 725 C GLY A 50 68.064 -2.625 11.762 1.00 0.00 C ATOM 726 O GLY A 50 67.340 -3.586 11.930 1.00 0.00 O ATOM 0 H GLY A 50 68.563 -0.248 10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.632 -1.227 13.310 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.901 -1.357 13.070 1.00 0.00 H new ATOM 730 N GLN A 51 69.049 -2.662 10.907 1.00 0.00 N ATOM 731 CA GLN A 51 69.300 -3.899 10.114 1.00 0.00 C ATOM 732 C GLN A 51 70.773 -4.303 10.219 1.00 0.00 C ATOM 733 O GLN A 51 71.494 -3.838 11.081 1.00 0.00 O ATOM 734 CB GLN A 51 68.945 -3.529 8.674 1.00 0.00 C ATOM 735 CG GLN A 51 67.438 -3.293 8.567 1.00 0.00 C ATOM 736 CD GLN A 51 67.144 -2.395 7.363 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.353 -1.479 7.453 1.00 0.00 O ATOM 738 NE2 GLN A 51 67.754 -2.622 6.232 1.00 0.00 N ATOM 0 H GLN A 51 69.690 -1.890 10.723 1.00 0.00 H new ATOM 0 HA GLN A 51 68.712 -4.745 10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.487 -2.632 8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.248 -4.327 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.917 -4.245 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.067 -2.828 9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 51 68.419 -3.392 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.566 -2.029 5.423 1.00 0.00 H new ATOM 747 N ASN A 52 71.224 -5.164 9.350 1.00 0.00 N ATOM 748 CA ASN A 52 72.650 -5.595 9.403 1.00 0.00 C ATOM 749 C ASN A 52 73.096 -6.118 8.035 1.00 0.00 C ATOM 750 O ASN A 52 73.270 -7.306 7.852 1.00 0.00 O ATOM 751 CB ASN A 52 72.685 -6.718 10.441 1.00 0.00 C ATOM 752 CG ASN A 52 72.345 -6.151 11.820 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.129 -5.425 12.402 1.00 0.00 O ATOM 754 ND2 ASN A 52 71.201 -6.452 12.372 1.00 0.00 N ATOM 0 H ASN A 52 70.669 -5.588 8.607 1.00 0.00 H new ATOM 0 HA ASN A 52 73.319 -4.775 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.973 -7.498 10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.672 -7.180 10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 52 70.964 -6.079 13.291 1.00 0.00 H new ATOM 0 HD22 ASN A 52 70.544 -7.061 11.884 1.00 0.00 H new ATOM 761 N PRO A 53 73.271 -5.205 7.119 1.00 0.00 N ATOM 762 CA PRO A 53 73.706 -5.577 5.751 1.00 0.00 C ATOM 763 C PRO A 53 75.183 -5.977 5.761 1.00 0.00 C ATOM 764 O PRO A 53 76.054 -5.163 5.990 1.00 0.00 O ATOM 765 CB PRO A 53 73.496 -4.296 4.948 1.00 0.00 C ATOM 766 CG PRO A 53 73.567 -3.193 5.955 1.00 0.00 C ATOM 767 CD PRO A 53 73.084 -3.758 7.267 1.00 0.00 C ATOM 0 HA PRO A 53 73.159 -6.425 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.262 -4.181 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.533 -4.303 4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.588 -2.822 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.948 -2.350 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.658 -3.365 8.106 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.039 -3.507 7.450 1.00 0.00 H new ATOM 775 N THR A 54 75.473 -7.225 5.516 1.00 0.00 N ATOM 776 CA THR A 54 76.896 -7.667 5.514 1.00 0.00 C ATOM 777 C THR A 54 77.691 -6.873 4.475 1.00 0.00 C ATOM 778 O THR A 54 77.186 -6.534 3.424 1.00 0.00 O ATOM 779 CB THR A 54 76.850 -9.148 5.137 1.00 0.00 C ATOM 780 OG1 THR A 54 75.733 -9.385 4.291 1.00 0.00 O ATOM 781 CG2 THR A 54 76.722 -9.996 6.403 1.00 0.00 C ATOM 0 H THR A 54 74.789 -7.955 5.318 1.00 0.00 H new ATOM 0 HA THR A 54 77.381 -7.507 6.477 1.00 0.00 H new ATOM 0 HB THR A 54 77.767 -9.418 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.703 -10.334 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.689 -11.051 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.579 -9.814 7.051 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.806 -9.728 6.929 1.00 0.00 H new ATOM 789 N LYS A 55 78.928 -6.571 4.762 1.00 0.00 N ATOM 790 CA LYS A 55 79.750 -5.795 3.788 1.00 0.00 C ATOM 791 C LYS A 55 79.510 -6.315 2.369 1.00 0.00 C ATOM 792 O LYS A 55 79.187 -5.565 1.470 1.00 0.00 O ATOM 793 CB LYS A 55 81.200 -6.033 4.209 1.00 0.00 C ATOM 794 CG LYS A 55 82.063 -4.860 3.739 1.00 0.00 C ATOM 795 CD LYS A 55 83.538 -5.175 4.001 1.00 0.00 C ATOM 796 CE LYS A 55 84.169 -5.757 2.735 1.00 0.00 C ATOM 797 NZ LYS A 55 84.577 -4.572 1.930 1.00 0.00 N ATOM 0 H LYS A 55 79.405 -6.827 5.627 1.00 0.00 H new ATOM 0 HA LYS A 55 79.498 -4.734 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.264 -6.135 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.567 -6.965 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.902 -4.679 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.776 -3.949 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 55 84.066 -4.270 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.629 -5.884 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.026 -6.386 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.459 -6.379 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.019 -4.890 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.739 -3.995 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.258 -4.002 2.472 1.00 0.00 H new ATOM 811 N GLU A 56 79.660 -7.595 2.161 1.00 0.00 N ATOM 812 CA GLU A 56 79.431 -8.154 0.799 1.00 0.00 C ATOM 813 C GLU A 56 78.084 -7.668 0.263 1.00 0.00 C ATOM 814 O GLU A 56 77.985 -7.185 -0.848 1.00 0.00 O ATOM 815 CB GLU A 56 79.424 -9.672 0.985 1.00 0.00 C ATOM 816 CG GLU A 56 80.370 -10.315 -0.031 1.00 0.00 C ATOM 817 CD GLU A 56 81.819 -10.106 0.416 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.018 -9.440 1.419 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.703 -10.615 -0.251 1.00 0.00 O ATOM 0 H GLU A 56 79.930 -8.275 2.872 1.00 0.00 H new ATOM 0 HA GLU A 56 80.193 -7.842 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.734 -9.926 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.414 -10.060 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.156 -11.380 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.215 -9.876 -1.016 1.00 0.00 H new ATOM 826 N GLU A 57 77.047 -7.779 1.048 1.00 0.00 N ATOM 827 CA GLU A 57 75.711 -7.311 0.583 1.00 0.00 C ATOM 828 C GLU A 57 75.803 -5.843 0.161 1.00 0.00 C ATOM 829 O GLU A 57 75.319 -5.454 -0.882 1.00 0.00 O ATOM 830 CB GLU A 57 74.791 -7.468 1.795 1.00 0.00 C ATOM 831 CG GLU A 57 74.530 -8.954 2.050 1.00 0.00 C ATOM 832 CD GLU A 57 73.637 -9.514 0.941 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.433 -9.342 1.034 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.172 -10.105 0.018 1.00 0.00 O ATOM 0 H GLU A 57 77.067 -8.173 1.989 1.00 0.00 H new ATOM 0 HA GLU A 57 75.343 -7.873 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.248 -7.012 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.849 -6.948 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.473 -9.499 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.051 -9.089 3.020 1.00 0.00 H new ATOM 841 N LEU A 58 76.433 -5.030 0.964 1.00 0.00 N ATOM 842 CA LEU A 58 76.572 -3.590 0.611 1.00 0.00 C ATOM 843 C LEU A 58 77.162 -3.457 -0.793 1.00 0.00 C ATOM 844 O LEU A 58 76.501 -3.026 -1.718 1.00 0.00 O ATOM 845 CB LEU A 58 77.537 -3.027 1.654 1.00 0.00 C ATOM 846 CG LEU A 58 76.896 -1.835 2.361 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.504 -0.778 1.327 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.646 -2.300 3.113 1.00 0.00 C ATOM 0 H LEU A 58 76.858 -5.302 1.851 1.00 0.00 H new ATOM 0 HA LEU A 58 75.618 -3.062 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.792 -3.798 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.467 -2.720 1.175 1.00 0.00 H new ATOM 0 HG LEU A 58 77.607 -1.406 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.046 0.073 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.393 -0.446 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 58 75.793 -1.206 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 58 75.188 -1.450 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.935 -2.729 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 58 75.924 -3.053 3.850 1.00 0.00 H new ATOM 860 N ASP A 59 78.402 -3.830 -0.962 1.00 0.00 N ATOM 861 CA ASP A 59 79.031 -3.732 -2.310 1.00 0.00 C ATOM 862 C ASP A 59 78.186 -4.494 -3.333 1.00 0.00 C ATOM 863 O ASP A 59 78.060 -4.093 -4.473 1.00 0.00 O ATOM 864 CB ASP A 59 80.407 -4.381 -2.157 1.00 0.00 C ATOM 865 CG ASP A 59 81.496 -3.328 -2.371 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.300 -2.465 -3.211 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.507 -3.404 -1.694 1.00 0.00 O ATOM 0 H ASP A 59 79.005 -4.198 -0.226 1.00 0.00 H new ATOM 0 HA ASP A 59 79.108 -2.703 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.504 -4.823 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.522 -5.190 -2.879 1.00 0.00 H new ATOM 872 N ALA A 60 77.603 -5.591 -2.931 1.00 0.00 N ATOM 873 CA ALA A 60 76.761 -6.378 -3.877 1.00 0.00 C ATOM 874 C ALA A 60 75.490 -5.596 -4.217 1.00 0.00 C ATOM 875 O ALA A 60 75.059 -5.556 -5.353 1.00 0.00 O ATOM 876 CB ALA A 60 76.417 -7.664 -3.127 1.00 0.00 C ATOM 0 H ALA A 60 77.673 -5.976 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 60 77.272 -6.583 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.796 -8.299 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.335 -8.193 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.874 -7.419 -2.215 1.00 0.00 H new ATOM 882 N ILE A 61 74.890 -4.969 -3.242 1.00 0.00 N ATOM 883 CA ILE A 61 73.651 -4.187 -3.513 1.00 0.00 C ATOM 884 C ILE A 61 74.007 -2.889 -4.243 1.00 0.00 C ATOM 885 O ILE A 61 73.429 -2.557 -5.258 1.00 0.00 O ATOM 886 CB ILE A 61 73.061 -3.885 -2.135 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.376 -5.140 -1.589 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.034 -2.757 -2.252 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.394 -5.108 -0.060 1.00 0.00 C ATOM 0 H ILE A 61 75.204 -4.965 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 61 72.946 -4.728 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 61 73.859 -3.580 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.349 -5.193 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.887 -6.032 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.615 -2.543 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.519 -1.862 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.235 -3.061 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.906 -6.002 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.425 -5.076 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.863 -4.223 0.292 1.00 0.00 H new ATOM 901 N ILE A 62 74.960 -2.157 -3.734 1.00 0.00 N ATOM 902 CA ILE A 62 75.357 -0.884 -4.401 1.00 0.00 C ATOM 903 C ILE A 62 75.569 -1.125 -5.898 1.00 0.00 C ATOM 904 O ILE A 62 74.826 -0.636 -6.724 1.00 0.00 O ATOM 905 CB ILE A 62 76.667 -0.477 -3.728 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.368 0.101 -2.343 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.372 0.581 -4.579 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.676 0.533 -1.677 1.00 0.00 C ATOM 0 H ILE A 62 75.480 -2.385 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 62 74.597 -0.108 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 62 77.311 -1.351 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.694 0.953 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.863 -0.644 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.306 0.871 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.584 0.172 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.729 1.455 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.463 0.945 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.335 -0.329 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.163 1.292 -2.290 1.00 0.00 H new ATOM 920 N GLU A 63 76.574 -1.880 -6.252 1.00 0.00 N ATOM 921 CA GLU A 63 76.822 -2.154 -7.696 1.00 0.00 C ATOM 922 C GLU A 63 75.523 -2.608 -8.365 1.00 0.00 C ATOM 923 O GLU A 63 75.275 -2.331 -9.522 1.00 0.00 O ATOM 924 CB GLU A 63 77.859 -3.277 -7.718 1.00 0.00 C ATOM 925 CG GLU A 63 77.920 -3.887 -9.119 1.00 0.00 C ATOM 926 CD GLU A 63 79.371 -4.226 -9.465 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.922 -5.107 -8.826 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.906 -3.598 -10.365 1.00 0.00 O ATOM 0 H GLU A 63 77.231 -2.317 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 63 77.172 -1.273 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.838 -2.888 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.597 -4.042 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.305 -4.786 -9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 63 77.515 -3.187 -9.850 1.00 0.00 H new ATOM 935 N GLU A 64 74.691 -3.303 -7.640 1.00 0.00 N ATOM 936 CA GLU A 64 73.404 -3.777 -8.222 1.00 0.00 C ATOM 937 C GLU A 64 72.442 -2.595 -8.386 1.00 0.00 C ATOM 938 O GLU A 64 71.682 -2.526 -9.333 1.00 0.00 O ATOM 939 CB GLU A 64 72.862 -4.785 -7.201 1.00 0.00 C ATOM 940 CG GLU A 64 71.340 -4.906 -7.335 1.00 0.00 C ATOM 941 CD GLU A 64 70.896 -6.297 -6.879 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.553 -7.256 -7.246 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.905 -6.378 -6.171 1.00 0.00 O ATOM 0 H GLU A 64 74.848 -3.564 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 64 73.526 -4.226 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.327 -5.758 -7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.122 -4.467 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.849 -4.141 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.041 -4.738 -8.370 1.00 0.00 H new ATOM 950 N VAL A 65 72.467 -1.669 -7.468 1.00 0.00 N ATOM 951 CA VAL A 65 71.551 -0.498 -7.564 1.00 0.00 C ATOM 952 C VAL A 65 72.285 0.704 -8.169 1.00 0.00 C ATOM 953 O VAL A 65 71.706 1.750 -8.387 1.00 0.00 O ATOM 954 CB VAL A 65 71.134 -0.207 -6.121 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.763 -1.516 -5.422 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.296 0.455 -5.375 1.00 0.00 C ATOM 0 H VAL A 65 73.083 -1.673 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 65 70.692 -0.695 -8.205 1.00 0.00 H new ATOM 0 HB VAL A 65 70.274 0.462 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.466 -1.308 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.935 -1.989 -5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.623 -2.185 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.998 0.662 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.157 -0.214 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.562 1.389 -5.871 1.00 0.00 H new ATOM 966 N ASP A 66 73.554 0.564 -8.442 1.00 0.00 N ATOM 967 CA ASP A 66 74.319 1.701 -9.032 1.00 0.00 C ATOM 968 C ASP A 66 74.040 1.801 -10.534 1.00 0.00 C ATOM 969 O ASP A 66 73.514 2.785 -11.014 1.00 0.00 O ATOM 970 CB ASP A 66 75.788 1.361 -8.781 1.00 0.00 C ATOM 971 CG ASP A 66 76.454 2.506 -8.017 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.545 3.589 -8.572 1.00 0.00 O ATOM 973 OD2 ASP A 66 76.863 2.282 -6.891 1.00 0.00 O ATOM 0 H ASP A 66 74.094 -0.287 -8.283 1.00 0.00 H new ATOM 0 HA ASP A 66 74.042 2.659 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.866 0.436 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.301 1.195 -9.728 1.00 0.00 H new ATOM 1030 N THR A 72 73.128 6.737 -8.030 1.00 0.00 N ATOM 1031 CA THR A 72 72.632 6.798 -6.625 1.00 0.00 C ATOM 1032 C THR A 72 71.464 5.827 -6.435 1.00 0.00 C ATOM 1033 O THR A 72 71.048 5.152 -7.355 1.00 0.00 O ATOM 1034 CB THR A 72 72.166 8.242 -6.432 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.631 8.732 -7.654 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.350 9.110 -6.006 1.00 0.00 C ATOM 0 HA THR A 72 73.399 6.518 -5.903 1.00 0.00 H new ATOM 0 HB THR A 72 71.398 8.276 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.007 9.464 -7.468 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.016 10.139 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.759 8.733 -5.068 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.120 9.078 -6.776 1.00 0.00 H new ATOM 1044 N ILE A 73 70.930 5.753 -5.246 1.00 0.00 N ATOM 1045 CA ILE A 73 69.788 4.827 -4.998 1.00 0.00 C ATOM 1046 C ILE A 73 68.473 5.608 -4.968 1.00 0.00 C ATOM 1047 O ILE A 73 68.396 6.692 -4.421 1.00 0.00 O ATOM 1048 CB ILE A 73 70.074 4.203 -3.632 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.142 3.008 -3.414 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.835 5.241 -2.535 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.773 1.753 -4.019 1.00 0.00 C ATOM 0 H ILE A 73 71.235 6.293 -4.436 1.00 0.00 H new ATOM 0 HA ILE A 73 69.691 4.072 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 73 71.111 3.869 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.964 2.861 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.173 3.200 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.039 4.795 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.497 6.093 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.798 5.576 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.110 0.902 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.928 1.903 -5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.731 1.559 -3.537 1.00 0.00 H new ATOM 1063 N ASP A 74 67.434 5.070 -5.548 1.00 0.00 N ATOM 1064 CA ASP A 74 66.127 5.788 -5.548 1.00 0.00 C ATOM 1065 C ASP A 74 65.260 5.297 -4.386 1.00 0.00 C ATOM 1066 O ASP A 74 65.111 4.112 -4.169 1.00 0.00 O ATOM 1067 CB ASP A 74 65.479 5.436 -6.887 1.00 0.00 C ATOM 1068 CG ASP A 74 66.479 5.681 -8.019 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.233 6.635 -7.920 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.473 4.910 -8.964 1.00 0.00 O ATOM 0 H ASP A 74 67.434 4.166 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 74 66.246 6.865 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.162 4.393 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.585 6.040 -7.040 1.00 0.00 H new ATOM 1075 N PHE A 75 64.691 6.198 -3.634 1.00 0.00 N ATOM 1076 CA PHE A 75 63.839 5.776 -2.485 1.00 0.00 C ATOM 1077 C PHE A 75 62.922 4.622 -2.903 1.00 0.00 C ATOM 1078 O PHE A 75 62.818 3.623 -2.221 1.00 0.00 O ATOM 1079 CB PHE A 75 63.015 7.013 -2.122 1.00 0.00 C ATOM 1080 CG PHE A 75 62.618 6.938 -0.667 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.684 5.984 -0.245 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.185 7.820 0.260 1.00 0.00 C ATOM 1083 CE1 PHE A 75 61.317 5.913 1.103 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.818 7.749 1.609 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.883 6.795 2.031 1.00 0.00 C ATOM 0 H PHE A 75 64.778 7.206 -3.764 1.00 0.00 H new ATOM 0 HA PHE A 75 64.431 5.422 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.595 7.917 -2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.127 7.070 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.247 5.303 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.906 8.555 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.596 5.177 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.256 8.430 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.599 6.740 3.072 1.00 0.00 H new ATOM 1095 N GLU A 76 62.260 4.752 -4.019 1.00 0.00 N ATOM 1096 CA GLU A 76 61.353 3.661 -4.478 1.00 0.00 C ATOM 1097 C GLU A 76 62.142 2.362 -4.667 1.00 0.00 C ATOM 1098 O GLU A 76 61.928 1.389 -3.972 1.00 0.00 O ATOM 1099 CB GLU A 76 60.790 4.147 -5.814 1.00 0.00 C ATOM 1100 CG GLU A 76 59.400 4.749 -5.593 1.00 0.00 C ATOM 1101 CD GLU A 76 58.870 5.305 -6.915 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.670 5.797 -7.693 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.670 5.230 -7.128 1.00 0.00 O ATOM 0 H GLU A 76 62.307 5.565 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 76 60.563 3.450 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.455 4.891 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.731 3.318 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.720 3.990 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.450 5.542 -4.846 1.00 0.00 H new ATOM 1110 N GLU A 77 63.054 2.339 -5.601 1.00 0.00 N ATOM 1111 CA GLU A 77 63.856 1.103 -5.830 1.00 0.00 C ATOM 1112 C GLU A 77 64.677 0.768 -4.583 1.00 0.00 C ATOM 1113 O GLU A 77 65.102 -0.352 -4.391 1.00 0.00 O ATOM 1114 CB GLU A 77 64.774 1.437 -7.006 1.00 0.00 C ATOM 1115 CG GLU A 77 65.444 0.157 -7.513 1.00 0.00 C ATOM 1116 CD GLU A 77 64.425 -0.681 -8.289 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.753 -0.122 -9.141 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.336 -1.867 -8.021 1.00 0.00 O ATOM 0 H GLU A 77 63.278 3.122 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 77 63.229 0.236 -6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.200 1.902 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.531 2.158 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.289 0.406 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.838 -0.416 -6.674 1.00 0.00 H new ATOM 1125 N PHE A 78 64.901 1.733 -3.734 1.00 0.00 N ATOM 1126 CA PHE A 78 65.692 1.472 -2.497 1.00 0.00 C ATOM 1127 C PHE A 78 64.845 0.689 -1.489 1.00 0.00 C ATOM 1128 O PHE A 78 65.355 -0.090 -0.707 1.00 0.00 O ATOM 1129 CB PHE A 78 66.042 2.866 -1.959 1.00 0.00 C ATOM 1130 CG PHE A 78 66.314 2.796 -0.474 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.305 1.939 0.018 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.571 3.587 0.409 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.553 1.873 1.395 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.819 3.523 1.785 1.00 0.00 C ATOM 1135 CZ PHE A 78 66.810 2.666 2.279 1.00 0.00 C ATOM 0 H PHE A 78 64.570 2.692 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 78 66.585 0.875 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.917 3.256 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.221 3.556 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 78 67.878 1.329 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.806 4.247 0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.317 1.211 1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.246 4.135 2.466 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.001 2.616 3.341 1.00 0.00 H new ATOM 1145 N LEU A 79 63.558 0.891 -1.500 1.00 0.00 N ATOM 1146 CA LEU A 79 62.679 0.162 -0.541 1.00 0.00 C ATOM 1147 C LEU A 79 63.090 -1.311 -0.455 1.00 0.00 C ATOM 1148 O LEU A 79 62.905 -1.956 0.558 1.00 0.00 O ATOM 1149 CB LEU A 79 61.269 0.295 -1.118 1.00 0.00 C ATOM 1150 CG LEU A 79 60.571 1.499 -0.482 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.093 2.451 -1.580 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.369 1.017 0.333 1.00 0.00 C ATOM 0 H LEU A 79 63.075 1.530 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 79 62.746 0.566 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.317 0.418 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.698 -0.614 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 79 61.270 2.021 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.596 3.309 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.948 2.793 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.394 1.930 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 79 58.870 1.873 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 79 58.671 0.496 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 59.708 0.338 1.115 1.00 0.00 H new ATOM 1164 N VAL A 80 63.645 -1.849 -1.506 1.00 0.00 N ATOM 1165 CA VAL A 80 64.065 -3.280 -1.473 1.00 0.00 C ATOM 1166 C VAL A 80 65.285 -3.451 -0.564 1.00 0.00 C ATOM 1167 O VAL A 80 65.385 -4.404 0.182 1.00 0.00 O ATOM 1168 CB VAL A 80 64.421 -3.627 -2.920 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.270 -3.226 -3.845 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.689 -2.873 -3.327 1.00 0.00 C ATOM 0 H VAL A 80 63.826 -1.362 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 80 63.282 -3.930 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 80 64.592 -4.700 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.527 -3.475 -4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.367 -3.764 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.095 -2.153 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.944 -3.119 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.517 -1.800 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.510 -3.162 -2.671 1.00 0.00 H new ATOM 1180 N MET A 81 66.211 -2.534 -0.618 1.00 0.00 N ATOM 1181 CA MET A 81 67.420 -2.645 0.246 1.00 0.00 C ATOM 1182 C MET A 81 67.008 -2.670 1.720 1.00 0.00 C ATOM 1183 O MET A 81 67.725 -3.163 2.567 1.00 0.00 O ATOM 1184 CB MET A 81 68.242 -1.393 -0.062 1.00 0.00 C ATOM 1185 CG MET A 81 69.515 -1.791 -0.811 1.00 0.00 C ATOM 1186 SD MET A 81 69.709 -0.740 -2.271 1.00 0.00 S ATOM 1187 CE MET A 81 68.268 -1.349 -3.181 1.00 0.00 C ATOM 0 H MET A 81 66.183 -1.713 -1.223 1.00 0.00 H new ATOM 0 HA MET A 81 67.985 -3.558 0.057 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.655 -0.699 -0.663 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.498 -0.876 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 81 70.381 -1.688 -0.158 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.463 -2.838 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.262 -0.919 -4.183 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.316 -2.436 -3.253 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.357 -1.060 -2.656 1.00 0.00 H new ATOM 1197 N MET A 82 65.857 -2.140 2.029 1.00 0.00 N ATOM 1198 CA MET A 82 65.396 -2.132 3.446 1.00 0.00 C ATOM 1199 C MET A 82 64.711 -3.458 3.788 1.00 0.00 C ATOM 1200 O MET A 82 65.088 -4.140 4.718 1.00 0.00 O ATOM 1201 CB MET A 82 64.397 -0.976 3.530 1.00 0.00 C ATOM 1202 CG MET A 82 65.003 0.270 2.884 1.00 0.00 C ATOM 1203 SD MET A 82 63.993 1.715 3.296 1.00 0.00 S ATOM 1204 CE MET A 82 64.733 2.057 4.912 1.00 0.00 C ATOM 0 H MET A 82 65.215 -1.712 1.361 1.00 0.00 H new ATOM 0 HA MET A 82 66.221 -2.011 4.148 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.469 -1.246 3.025 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.146 -0.773 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.025 0.415 3.236 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.053 0.144 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.714 3.130 5.101 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.167 1.542 5.688 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.765 1.705 4.922 1.00 0.00 H new ATOM 1214 N VAL A 83 63.705 -3.827 3.041 1.00 0.00 N ATOM 1215 CA VAL A 83 62.994 -5.107 3.325 1.00 0.00 C ATOM 1216 C VAL A 83 63.928 -6.298 3.096 1.00 0.00 C ATOM 1217 O VAL A 83 64.225 -7.049 4.002 1.00 0.00 O ATOM 1218 CB VAL A 83 61.835 -5.144 2.330 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.992 -6.396 2.576 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.965 -3.899 2.513 1.00 0.00 C ATOM 0 H VAL A 83 63.345 -3.298 2.247 1.00 0.00 H new ATOM 0 HA VAL A 83 62.652 -5.165 4.358 1.00 0.00 H new ATOM 0 HB VAL A 83 62.229 -5.165 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.165 -6.423 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.611 -7.283 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.598 -6.375 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.138 -3.925 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.571 -3.877 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.566 -3.006 2.337 1.00 0.00 H new ATOM 1230 N ARG A 84 64.387 -6.476 1.888 1.00 0.00 N ATOM 1231 CA ARG A 84 65.297 -7.620 1.595 1.00 0.00 C ATOM 1232 C ARG A 84 66.327 -7.786 2.715 1.00 0.00 C ATOM 1233 O ARG A 84 66.707 -8.886 3.061 1.00 0.00 O ATOM 1234 CB ARG A 84 65.984 -7.249 0.280 1.00 0.00 C ATOM 1235 CG ARG A 84 64.928 -7.087 -0.816 1.00 0.00 C ATOM 1236 CD ARG A 84 65.508 -7.541 -2.158 1.00 0.00 C ATOM 1237 NE ARG A 84 66.764 -6.756 -2.320 1.00 0.00 N ATOM 1238 CZ ARG A 84 67.661 -7.126 -3.196 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.453 -8.175 -3.945 1.00 0.00 N ATOM 1240 NH2 ARG A 84 68.766 -6.445 -3.322 1.00 0.00 N ATOM 0 H ARG A 84 64.171 -5.878 1.090 1.00 0.00 H new ATOM 0 HA ARG A 84 64.760 -8.566 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.546 -6.323 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.700 -8.022 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.043 -7.676 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.611 -6.046 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.709 -8.612 -2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.813 -7.346 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 84 66.924 -5.928 -1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 84 66.589 -8.708 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 84 68.155 -8.461 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 84 68.929 -5.625 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 84 69.467 -6.732 -4.005 1.00 0.00 H new ATOM 1254 N GLN A 85 66.780 -6.704 3.288 1.00 0.00 N ATOM 1255 CA GLN A 85 67.784 -6.810 4.385 1.00 0.00 C ATOM 1256 C GLN A 85 67.085 -7.073 5.722 1.00 0.00 C ATOM 1257 O GLN A 85 67.513 -7.899 6.503 1.00 0.00 O ATOM 1258 CB GLN A 85 68.498 -5.458 4.408 1.00 0.00 C ATOM 1259 CG GLN A 85 69.584 -5.476 5.485 1.00 0.00 C ATOM 1260 CD GLN A 85 70.731 -6.386 5.039 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.432 -6.081 4.096 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.952 -7.500 5.683 1.00 0.00 N ATOM 0 H GLN A 85 66.499 -5.754 3.045 1.00 0.00 H new ATOM 0 HA GLN A 85 68.480 -7.633 4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.940 -5.251 3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.783 -4.660 4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.954 -4.466 5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.170 -5.831 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.363 -7.756 6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.714 -8.114 5.394 1.00 0.00 H new ATOM 1271 N MET A 86 66.012 -6.380 5.994 1.00 0.00 N ATOM 1272 CA MET A 86 65.294 -6.599 7.282 1.00 0.00 C ATOM 1273 C MET A 86 64.642 -7.983 7.293 1.00 0.00 C ATOM 1274 O MET A 86 64.385 -8.550 8.337 1.00 0.00 O ATOM 1275 CB MET A 86 64.227 -5.505 7.343 1.00 0.00 C ATOM 1276 CG MET A 86 64.600 -4.489 8.424 1.00 0.00 C ATOM 1277 SD MET A 86 63.093 -3.767 9.120 1.00 0.00 S ATOM 1278 CE MET A 86 63.655 -2.047 9.135 1.00 0.00 C ATOM 0 H MET A 86 65.603 -5.674 5.382 1.00 0.00 H new ATOM 0 HA MET A 86 65.967 -6.555 8.138 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.144 -5.009 6.376 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.253 -5.944 7.561 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.180 -4.974 9.209 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.229 -3.706 8.001 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.873 -1.412 9.552 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.554 -1.963 9.746 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.877 -1.728 8.117 1.00 0.00 H new ATOM 1288 N LYS A 87 64.374 -8.534 6.141 1.00 0.00 N ATOM 1289 CA LYS A 87 63.742 -9.883 6.096 1.00 0.00 C ATOM 1290 C LYS A 87 64.505 -10.840 7.015 1.00 0.00 C ATOM 1291 O LYS A 87 63.956 -11.788 7.539 1.00 0.00 O ATOM 1292 CB LYS A 87 63.858 -10.328 4.637 1.00 0.00 C ATOM 1293 CG LYS A 87 62.558 -10.004 3.898 1.00 0.00 C ATOM 1294 CD LYS A 87 61.568 -11.157 4.075 1.00 0.00 C ATOM 1295 CE LYS A 87 60.632 -11.220 2.865 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.270 -10.992 3.421 1.00 0.00 N ATOM 0 H LYS A 87 64.564 -8.111 5.233 1.00 0.00 H new ATOM 0 HA LYS A 87 62.705 -9.872 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.697 -9.823 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.060 -11.398 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.129 -9.080 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.760 -9.844 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.106 -12.099 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.990 -11.016 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.889 -10.461 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.698 -12.186 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.575 -10.987 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.037 -11.753 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.245 -10.077 3.914 1.00 0.00 H new ATOM 1310 N GLU A 88 65.769 -10.588 7.220 1.00 0.00 N ATOM 1311 CA GLU A 88 66.575 -11.470 8.112 1.00 0.00 C ATOM 1312 C GLU A 88 66.688 -10.842 9.503 1.00 0.00 C ATOM 1313 O GLU A 88 66.706 -11.527 10.506 1.00 0.00 O ATOM 1314 CB GLU A 88 67.950 -11.555 7.448 1.00 0.00 C ATOM 1315 CG GLU A 88 68.697 -12.784 7.970 1.00 0.00 C ATOM 1316 CD GLU A 88 69.605 -12.373 9.132 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.233 -11.465 9.856 1.00 0.00 O ATOM 1318 OE2 GLU A 88 70.657 -12.975 9.277 1.00 0.00 O ATOM 0 H GLU A 88 66.280 -9.807 6.807 1.00 0.00 H new ATOM 0 HA GLU A 88 66.125 -12.455 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.839 -11.617 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.523 -10.652 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.986 -13.542 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.290 -13.229 7.171 1.00 0.00 H new ATOM 1325 N ASP A 89 66.761 -9.540 9.570 1.00 0.00 N ATOM 1326 CA ASP A 89 66.871 -8.864 10.894 1.00 0.00 C ATOM 1327 C ASP A 89 65.491 -8.771 11.554 1.00 0.00 C ATOM 1328 O ASP A 89 65.375 -8.705 12.762 1.00 0.00 O ATOM 1329 CB ASP A 89 67.410 -7.467 10.583 1.00 0.00 C ATOM 1330 CG ASP A 89 67.226 -6.563 11.803 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.088 -6.322 12.170 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.226 -6.128 12.349 1.00 0.00 O ATOM 0 H ASP A 89 66.749 -8.915 8.764 1.00 0.00 H new ATOM 0 HA ASP A 89 67.519 -9.406 11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 89 68.465 -7.524 10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.886 -7.047 9.724 1.00 0.00 H new ATOM 1337 N ALA A 90 64.447 -8.765 10.771 1.00 0.00 N ATOM 1338 CA ALA A 90 63.077 -8.675 11.355 1.00 0.00 C ATOM 1339 C ALA A 90 62.568 -10.069 11.731 1.00 0.00 C ATOM 1340 O ALA A 90 62.172 -10.796 10.835 1.00 0.00 O ATOM 1341 CB ALA A 90 62.214 -8.072 10.246 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.582 -10.385 12.910 1.00 0.00 O ATOM 0 H ALA A 90 64.482 -8.818 9.753 1.00 0.00 H new ATOM 0 HA ALA A 90 63.055 -8.074 12.264 1.00 0.00 H new ATOM 0 HB1 ALA A 90 61.187 -7.973 10.598 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.602 -7.090 9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.237 -8.723 9.372 1.00 0.00 H new