USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 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 -159:sc= -5.04! (180deg=-5.68!) USER MOD Set 1.2: A 81 MET CE :methyl -170:sc= -3.2 (180deg=-0.961) USER MOD Set 1.3: A 85 GLN :FLIP amide:sc= -0.54 F(o=-12,f=-8.8) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) 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) USER MOD Single : A 7 GLN : amide:sc= -1.95 K(o=-2,f=-5.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -165:sc= -3.77! (180deg=-5.51!) 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 180:sc= 0.00638 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -11.4! C(o=-11!,f=-20!) USER MOD Single : A 52 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.32) USER MOD Single : A 54 THR OG1 : rot -170:sc= -1.74! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 172:sc= 1.29 USER MOD Single : A 82 MET CE :methyl -165:sc= -7.41! (180deg=-8.67!) USER MOD Single : A 86 MET CE :methyl -140:sc= -0.0692 (180deg=-1.22) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 63.938 -4.790 -11.468 1.00 0.00 N ATOM 25 CA MET A 3 63.906 -4.005 -10.203 1.00 0.00 C ATOM 26 C MET A 3 62.525 -3.376 -9.999 1.00 0.00 C ATOM 27 O MET A 3 61.969 -3.409 -8.919 1.00 0.00 O ATOM 28 CB MET A 3 64.965 -2.921 -10.399 1.00 0.00 C ATOM 29 CG MET A 3 66.335 -3.466 -9.997 1.00 0.00 C ATOM 30 SD MET A 3 67.345 -3.716 -11.478 1.00 0.00 S ATOM 31 CE MET A 3 67.620 -5.492 -11.265 1.00 0.00 C ATOM 0 HA MET A 3 64.101 -4.621 -9.325 1.00 0.00 H new ATOM 0 HB2 MET A 3 64.982 -2.598 -11.440 1.00 0.00 H new ATOM 0 HB3 MET A 3 64.720 -2.045 -9.798 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.830 -2.770 -9.320 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.220 -4.407 -9.459 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.234 -5.866 -12.085 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.131 -5.670 -10.319 1.00 0.00 H new ATOM 0 HE3 MET A 3 66.661 -6.011 -11.263 1.00 0.00 H new ATOM 41 N THR A 4 61.969 -2.799 -11.029 1.00 0.00 N ATOM 42 CA THR A 4 60.627 -2.163 -10.896 1.00 0.00 C ATOM 43 C THR A 4 59.614 -3.167 -10.337 1.00 0.00 C ATOM 44 O THR A 4 58.578 -2.795 -9.823 1.00 0.00 O ATOM 45 CB THR A 4 60.245 -1.749 -12.318 1.00 0.00 C ATOM 46 OG1 THR A 4 59.095 -0.914 -12.273 1.00 0.00 O ATOM 47 CG2 THR A 4 59.942 -2.995 -13.150 1.00 0.00 C ATOM 0 H THR A 4 62.386 -2.740 -11.958 1.00 0.00 H new ATOM 0 HA THR A 4 60.638 -1.314 -10.212 1.00 0.00 H new ATOM 0 HB THR A 4 61.072 -1.204 -12.774 1.00 0.00 H new ATOM 0 HG1 THR A 4 58.849 -0.646 -13.183 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.670 -2.699 -14.163 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.825 -3.634 -13.183 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.115 -3.542 -12.698 1.00 0.00 H new ATOM 55 N ASP A 5 59.904 -4.436 -10.432 1.00 0.00 N ATOM 56 CA ASP A 5 58.955 -5.457 -9.903 1.00 0.00 C ATOM 57 C ASP A 5 59.273 -5.770 -8.438 1.00 0.00 C ATOM 58 O ASP A 5 58.397 -5.804 -7.597 1.00 0.00 O ATOM 59 CB ASP A 5 59.176 -6.693 -10.776 1.00 0.00 C ATOM 60 CG ASP A 5 58.098 -7.735 -10.471 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.137 -8.302 -9.391 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.250 -7.949 -11.323 1.00 0.00 O ATOM 0 H ASP A 5 60.755 -4.810 -10.852 1.00 0.00 H new ATOM 0 HA ASP A 5 57.921 -5.114 -9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.142 -6.417 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.165 -7.112 -10.588 1.00 0.00 H new ATOM 67 N GLN A 6 60.520 -6.001 -8.128 1.00 0.00 N ATOM 68 CA GLN A 6 60.892 -6.312 -6.717 1.00 0.00 C ATOM 69 C GLN A 6 60.585 -5.119 -5.809 1.00 0.00 C ATOM 70 O GLN A 6 60.632 -5.220 -4.599 1.00 0.00 O ATOM 71 CB GLN A 6 62.398 -6.583 -6.756 1.00 0.00 C ATOM 72 CG GLN A 6 62.713 -7.833 -5.932 1.00 0.00 C ATOM 73 CD GLN A 6 63.278 -8.919 -6.848 1.00 0.00 C ATOM 74 OE1 GLN A 6 62.536 -9.685 -7.431 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.570 -9.021 -6.999 1.00 0.00 N ATOM 0 H GLN A 6 61.297 -5.988 -8.789 1.00 0.00 H new ATOM 0 HA GLN A 6 60.333 -7.160 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.727 -6.721 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.943 -5.726 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.432 -7.593 -5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.811 -8.193 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 6 65.193 -8.378 -6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.957 -9.743 -7.606 1.00 0.00 H new ATOM 84 N GLN A 7 60.274 -3.989 -6.382 1.00 0.00 N ATOM 85 CA GLN A 7 59.967 -2.790 -5.548 1.00 0.00 C ATOM 86 C GLN A 7 58.535 -2.869 -5.012 1.00 0.00 C ATOM 87 O GLN A 7 58.291 -2.682 -3.837 1.00 0.00 O ATOM 88 CB GLN A 7 60.123 -1.599 -6.492 1.00 0.00 C ATOM 89 CG GLN A 7 60.182 -0.306 -5.677 1.00 0.00 C ATOM 90 CD GLN A 7 58.774 0.273 -5.531 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.160 0.152 -4.490 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.233 0.901 -6.539 1.00 0.00 N ATOM 0 H GLN A 7 60.219 -3.843 -7.390 1.00 0.00 H new ATOM 0 HA GLN A 7 60.624 -2.711 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.030 -1.709 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.287 -1.563 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.609 -0.503 -4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 7 60.834 0.416 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 7 58.749 1.002 -7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.294 1.290 -6.453 1.00 0.00 H new ATOM 101 N ALA A 8 57.585 -3.140 -5.866 1.00 0.00 N ATOM 102 CA ALA A 8 56.170 -3.228 -5.402 1.00 0.00 C ATOM 103 C ALA A 8 56.059 -4.204 -4.227 1.00 0.00 C ATOM 104 O ALA A 8 55.397 -3.935 -3.245 1.00 0.00 O ATOM 105 CB ALA A 8 55.388 -3.746 -6.609 1.00 0.00 C ATOM 0 H ALA A 8 57.727 -3.304 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 8 55.789 -2.268 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.334 -3.838 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.496 -3.048 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.776 -4.721 -6.902 1.00 0.00 H new ATOM 111 N GLU A 9 56.702 -5.336 -4.321 1.00 0.00 N ATOM 112 CA GLU A 9 56.633 -6.327 -3.208 1.00 0.00 C ATOM 113 C GLU A 9 57.678 -5.996 -2.140 1.00 0.00 C ATOM 114 O GLU A 9 57.656 -6.529 -1.048 1.00 0.00 O ATOM 115 CB GLU A 9 56.944 -7.675 -3.861 1.00 0.00 C ATOM 116 CG GLU A 9 55.975 -8.735 -3.334 1.00 0.00 C ATOM 117 CD GLU A 9 56.376 -10.109 -3.874 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.352 -10.175 -4.604 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.702 -11.071 -3.548 1.00 0.00 O ATOM 0 H GLU A 9 57.272 -5.618 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 9 55.662 -6.326 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.857 -7.595 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.972 -7.967 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.987 -8.744 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.957 -8.496 -3.640 1.00 0.00 H new ATOM 126 N ALA A 10 58.595 -5.119 -2.445 1.00 0.00 N ATOM 127 CA ALA A 10 59.640 -4.753 -1.447 1.00 0.00 C ATOM 128 C ALA A 10 59.047 -3.838 -0.376 1.00 0.00 C ATOM 129 O ALA A 10 59.359 -3.948 0.792 1.00 0.00 O ATOM 130 CB ALA A 10 60.710 -4.013 -2.246 1.00 0.00 C ATOM 0 H ALA A 10 58.666 -4.640 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 10 60.044 -5.626 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.517 -3.709 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.106 -4.671 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.272 -3.130 -2.710 1.00 0.00 H new ATOM 136 N ARG A 11 58.186 -2.939 -0.763 1.00 0.00 N ATOM 137 CA ARG A 11 57.569 -2.023 0.243 1.00 0.00 C ATOM 138 C ARG A 11 56.151 -2.488 0.580 1.00 0.00 C ATOM 139 O ARG A 11 55.429 -1.836 1.309 1.00 0.00 O ATOM 140 CB ARG A 11 57.546 -0.619 -0.386 1.00 0.00 C ATOM 141 CG ARG A 11 57.371 -0.694 -1.907 1.00 0.00 C ATOM 142 CD ARG A 11 56.121 -1.508 -2.249 1.00 0.00 C ATOM 143 NE ARG A 11 54.983 -0.699 -1.732 1.00 0.00 N ATOM 144 CZ ARG A 11 53.757 -1.075 -1.965 1.00 0.00 C ATOM 145 NH1 ARG A 11 53.440 -1.585 -3.124 1.00 0.00 N ATOM 146 NH2 ARG A 11 52.846 -0.942 -1.040 1.00 0.00 N ATOM 0 H ARG A 11 57.882 -2.797 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 11 58.139 -2.018 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.733 -0.037 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.473 -0.097 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.286 0.310 -2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.250 -1.153 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 11 56.036 -1.668 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.150 -2.492 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 11 55.163 0.150 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.152 -1.689 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 11 52.481 -1.879 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 11 53.093 -0.544 -0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 11 51.887 -1.236 -1.223 1.00 0.00 H new ATOM 160 N ALA A 12 55.753 -3.618 0.066 1.00 0.00 N ATOM 161 CA ALA A 12 54.388 -4.134 0.368 1.00 0.00 C ATOM 162 C ALA A 12 54.429 -4.957 1.657 1.00 0.00 C ATOM 163 O ALA A 12 53.424 -5.162 2.310 1.00 0.00 O ATOM 164 CB ALA A 12 54.023 -5.017 -0.826 1.00 0.00 C ATOM 0 H ALA A 12 56.313 -4.207 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 12 53.659 -3.337 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 12 53.028 -5.436 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 12 54.034 -4.419 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.747 -5.827 -0.915 1.00 0.00 H new ATOM 170 N PHE A 13 55.590 -5.421 2.029 1.00 0.00 N ATOM 171 CA PHE A 13 55.713 -6.224 3.279 1.00 0.00 C ATOM 172 C PHE A 13 55.483 -5.324 4.501 1.00 0.00 C ATOM 173 O PHE A 13 55.247 -5.794 5.595 1.00 0.00 O ATOM 174 CB PHE A 13 57.150 -6.770 3.244 1.00 0.00 C ATOM 175 CG PHE A 13 57.679 -6.965 4.647 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.312 -8.097 5.386 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.539 -6.013 5.206 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.806 -8.275 6.683 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.033 -6.190 6.504 1.00 0.00 C ATOM 180 CZ PHE A 13 58.666 -7.322 7.243 1.00 0.00 C ATOM 0 H PHE A 13 56.462 -5.278 1.520 1.00 0.00 H new ATOM 0 HA PHE A 13 54.980 -7.028 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.172 -7.718 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.794 -6.080 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.648 -8.832 4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.822 -5.141 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.524 -9.148 7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.696 -5.455 6.935 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.046 -7.460 8.244 1.00 0.00 H new ATOM 190 N LEU A 14 55.552 -4.034 4.318 1.00 0.00 N ATOM 191 CA LEU A 14 55.339 -3.106 5.465 1.00 0.00 C ATOM 192 C LEU A 14 54.101 -2.239 5.221 1.00 0.00 C ATOM 193 O LEU A 14 53.754 -1.938 4.096 1.00 0.00 O ATOM 194 CB LEU A 14 56.598 -2.241 5.515 1.00 0.00 C ATOM 195 CG LEU A 14 57.687 -2.970 6.304 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.057 -2.405 5.925 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.450 -2.768 7.803 1.00 0.00 C ATOM 0 H LEU A 14 55.747 -3.582 3.424 1.00 0.00 H new ATOM 0 HA LEU A 14 55.174 -3.639 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.947 -2.029 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.375 -1.282 5.983 1.00 0.00 H new ATOM 0 HG LEU A 14 57.656 -4.034 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 14 59.833 -2.924 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.226 -2.546 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.089 -1.341 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.225 -3.287 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.482 -1.704 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 14 56.474 -3.169 8.074 1.00 0.00 H new ATOM 209 N SER A 15 53.432 -1.835 6.266 1.00 0.00 N ATOM 210 CA SER A 15 52.219 -0.987 6.092 1.00 0.00 C ATOM 211 C SER A 15 52.623 0.463 5.820 1.00 0.00 C ATOM 212 O SER A 15 53.709 0.889 6.158 1.00 0.00 O ATOM 213 CB SER A 15 51.467 -1.093 7.418 1.00 0.00 C ATOM 214 OG SER A 15 50.203 -1.705 7.193 1.00 0.00 O ATOM 0 H SER A 15 53.673 -2.055 7.232 1.00 0.00 H new ATOM 0 HA SER A 15 51.607 -1.310 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.046 -1.679 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.332 -0.103 7.853 1.00 0.00 H new ATOM 0 HG SER A 15 49.718 -1.776 8.042 1.00 0.00 H new ATOM 220 N GLU A 16 51.756 1.227 5.214 1.00 0.00 N ATOM 221 CA GLU A 16 52.094 2.651 4.925 1.00 0.00 C ATOM 222 C GLU A 16 52.634 3.329 6.187 1.00 0.00 C ATOM 223 O GLU A 16 53.327 4.326 6.119 1.00 0.00 O ATOM 224 CB GLU A 16 50.776 3.293 4.493 1.00 0.00 C ATOM 225 CG GLU A 16 51.015 4.766 4.155 1.00 0.00 C ATOM 226 CD GLU A 16 49.701 5.407 3.706 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.915 5.764 4.568 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.504 5.531 2.509 1.00 0.00 O ATOM 0 H GLU A 16 50.830 0.929 4.907 1.00 0.00 H new ATOM 0 HA GLU A 16 52.862 2.747 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.371 2.771 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.038 3.207 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.409 5.290 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.762 4.852 3.366 1.00 0.00 H new ATOM 235 N GLU A 17 52.323 2.797 7.337 1.00 0.00 N ATOM 236 CA GLU A 17 52.818 3.411 8.602 1.00 0.00 C ATOM 237 C GLU A 17 54.341 3.289 8.689 1.00 0.00 C ATOM 238 O GLU A 17 55.024 4.197 9.120 1.00 0.00 O ATOM 239 CB GLU A 17 52.152 2.606 9.718 1.00 0.00 C ATOM 240 CG GLU A 17 52.115 3.442 10.999 1.00 0.00 C ATOM 241 CD GLU A 17 50.685 3.922 11.256 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.074 4.421 10.325 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.226 3.782 12.378 1.00 0.00 O ATOM 0 H GLU A 17 51.747 1.963 7.456 1.00 0.00 H new ATOM 0 HA GLU A 17 52.581 4.473 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.140 2.326 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.701 1.681 9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.468 2.849 11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.786 4.296 10.907 1.00 0.00 H new ATOM 250 N MET A 18 54.880 2.171 8.283 1.00 0.00 N ATOM 251 CA MET A 18 56.359 1.991 8.345 1.00 0.00 C ATOM 252 C MET A 18 57.037 2.770 7.213 1.00 0.00 C ATOM 253 O MET A 18 58.003 3.475 7.425 1.00 0.00 O ATOM 254 CB MET A 18 56.582 0.489 8.169 1.00 0.00 C ATOM 255 CG MET A 18 58.082 0.203 8.080 1.00 0.00 C ATOM 256 SD MET A 18 58.669 -0.444 9.665 1.00 0.00 S ATOM 257 CE MET A 18 58.140 0.950 10.690 1.00 0.00 C ATOM 0 H MET A 18 54.361 1.375 7.912 1.00 0.00 H new ATOM 0 HA MET A 18 56.780 2.360 9.280 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.146 -0.055 9.007 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.080 0.139 7.267 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.279 -0.517 7.286 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.622 1.115 7.825 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.630 0.894 11.662 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.411 1.885 10.200 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.059 0.912 10.826 1.00 0.00 H new ATOM 267 N ILE A 19 56.538 2.650 6.013 1.00 0.00 N ATOM 268 CA ILE A 19 57.158 3.386 4.873 1.00 0.00 C ATOM 269 C ILE A 19 57.433 4.839 5.275 1.00 0.00 C ATOM 270 O ILE A 19 58.489 5.376 5.008 1.00 0.00 O ATOM 271 CB ILE A 19 56.121 3.319 3.750 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.175 1.938 3.092 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.426 4.392 2.702 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.781 1.309 3.105 1.00 0.00 C ATOM 0 H ILE A 19 55.730 2.076 5.772 1.00 0.00 H new ATOM 0 HA ILE A 19 58.112 2.957 4.568 1.00 0.00 H new ATOM 0 HB ILE A 19 55.128 3.490 4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.536 2.026 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.879 1.298 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.686 4.342 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.390 5.377 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.420 4.223 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.821 0.326 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.438 1.206 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.089 1.946 2.554 1.00 0.00 H new ATOM 286 N ALA A 20 56.492 5.476 5.917 1.00 0.00 N ATOM 287 CA ALA A 20 56.705 6.892 6.336 1.00 0.00 C ATOM 288 C ALA A 20 57.812 6.967 7.390 1.00 0.00 C ATOM 289 O ALA A 20 58.299 8.030 7.719 1.00 0.00 O ATOM 290 CB ALA A 20 55.368 7.338 6.928 1.00 0.00 C ATOM 0 H ALA A 20 55.587 5.079 6.169 1.00 0.00 H new ATOM 0 HA ALA A 20 57.012 7.527 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.444 8.373 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.589 7.257 6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.116 6.702 7.777 1.00 0.00 H new ATOM 296 N GLU A 21 58.215 5.845 7.921 1.00 0.00 N ATOM 297 CA GLU A 21 59.292 5.852 8.953 1.00 0.00 C ATOM 298 C GLU A 21 60.665 5.938 8.282 1.00 0.00 C ATOM 299 O GLU A 21 61.481 6.771 8.622 1.00 0.00 O ATOM 300 CB GLU A 21 59.141 4.523 9.694 1.00 0.00 C ATOM 301 CG GLU A 21 60.124 4.478 10.865 1.00 0.00 C ATOM 302 CD GLU A 21 59.583 3.545 11.951 1.00 0.00 C ATOM 303 OE1 GLU A 21 58.373 3.435 12.061 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.389 2.956 12.653 1.00 0.00 O ATOM 0 H GLU A 21 57.846 4.924 7.685 1.00 0.00 H new ATOM 0 HA GLU A 21 59.212 6.705 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.120 4.411 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.330 3.692 9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.098 4.128 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 21 60.269 5.479 11.270 1.00 0.00 H new ATOM 311 N PHE A 22 60.927 5.083 7.330 1.00 0.00 N ATOM 312 CA PHE A 22 62.248 5.120 6.641 1.00 0.00 C ATOM 313 C PHE A 22 62.391 6.418 5.841 1.00 0.00 C ATOM 314 O PHE A 22 63.476 6.804 5.454 1.00 0.00 O ATOM 315 CB PHE A 22 62.243 3.909 5.703 1.00 0.00 C ATOM 316 CG PHE A 22 61.989 2.645 6.495 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.232 2.615 7.875 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.511 1.501 5.845 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.996 1.443 8.603 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.274 0.328 6.574 1.00 0.00 C ATOM 321 CZ PHE A 22 61.517 0.299 7.952 1.00 0.00 C ATOM 0 H PHE A 22 60.285 4.362 7.001 1.00 0.00 H new ATOM 0 HA PHE A 22 63.080 5.086 7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.474 4.032 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.198 3.837 5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.602 3.497 8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.325 1.522 4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.183 1.421 9.666 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.904 -0.554 6.072 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.335 -0.605 8.513 1.00 0.00 H new ATOM 331 N LYS A 23 61.303 7.096 5.591 1.00 0.00 N ATOM 332 CA LYS A 23 61.377 8.370 4.818 1.00 0.00 C ATOM 333 C LYS A 23 62.266 9.381 5.549 1.00 0.00 C ATOM 334 O LYS A 23 63.338 9.724 5.091 1.00 0.00 O ATOM 335 CB LYS A 23 59.936 8.875 4.748 1.00 0.00 C ATOM 336 CG LYS A 23 59.777 9.800 3.540 1.00 0.00 C ATOM 337 CD LYS A 23 59.940 8.992 2.251 1.00 0.00 C ATOM 338 CE LYS A 23 59.017 9.559 1.171 1.00 0.00 C ATOM 339 NZ LYS A 23 59.816 9.504 -0.085 1.00 0.00 N ATOM 0 H LYS A 23 60.366 6.823 5.888 1.00 0.00 H new ATOM 0 HA LYS A 23 61.807 8.228 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.248 8.033 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.682 9.409 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.797 10.277 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.520 10.596 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.976 9.030 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.702 7.944 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.103 8.971 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.717 10.581 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.250 9.877 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.676 10.078 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 60.081 8.518 -0.285 1.00 0.00 H new ATOM 353 N ALA A 24 61.827 9.860 6.681 1.00 0.00 N ATOM 354 CA ALA A 24 62.645 10.848 7.440 1.00 0.00 C ATOM 355 C ALA A 24 64.076 10.332 7.611 1.00 0.00 C ATOM 356 O ALA A 24 65.026 11.090 7.590 1.00 0.00 O ATOM 357 CB ALA A 24 61.954 10.971 8.799 1.00 0.00 C ATOM 0 H ALA A 24 60.937 9.610 7.113 1.00 0.00 H new ATOM 0 HA ALA A 24 62.714 11.808 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.497 11.683 9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.931 11.320 8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.941 9.998 9.290 1.00 0.00 H new ATOM 363 N ALA A 25 64.238 9.048 7.779 1.00 0.00 N ATOM 364 CA ALA A 25 65.609 8.486 7.950 1.00 0.00 C ATOM 365 C ALA A 25 66.356 8.499 6.615 1.00 0.00 C ATOM 366 O ALA A 25 67.516 8.855 6.544 1.00 0.00 O ATOM 367 CB ALA A 25 65.390 7.050 8.428 1.00 0.00 C ATOM 0 H ALA A 25 63.482 8.364 7.805 1.00 0.00 H new ATOM 0 HA ALA A 25 66.208 9.064 8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.355 6.565 8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.839 7.060 9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.820 6.500 7.679 1.00 0.00 H new ATOM 373 N PHE A 26 65.699 8.113 5.555 1.00 0.00 N ATOM 374 CA PHE A 26 66.371 8.102 4.222 1.00 0.00 C ATOM 375 C PHE A 26 66.807 9.517 3.835 1.00 0.00 C ATOM 376 O PHE A 26 67.857 9.717 3.257 1.00 0.00 O ATOM 377 CB PHE A 26 65.308 7.590 3.250 1.00 0.00 C ATOM 378 CG PHE A 26 65.920 7.422 1.880 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.309 8.547 1.144 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.097 6.140 1.345 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.875 8.392 -0.127 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.663 5.984 0.074 1.00 0.00 C ATOM 383 CZ PHE A 26 67.052 7.110 -0.662 1.00 0.00 C ATOM 0 H PHE A 26 64.727 7.805 5.553 1.00 0.00 H new ATOM 0 HA PHE A 26 67.267 7.481 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.907 6.639 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.474 8.290 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.172 9.536 1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.797 5.272 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.175 9.261 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.800 4.995 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.489 6.990 -1.642 1.00 0.00 H new ATOM 393 N ASP A 27 66.008 10.499 4.148 1.00 0.00 N ATOM 394 CA ASP A 27 66.374 11.901 3.795 1.00 0.00 C ATOM 395 C ASP A 27 67.635 12.330 4.550 1.00 0.00 C ATOM 396 O ASP A 27 68.201 13.372 4.289 1.00 0.00 O ATOM 397 CB ASP A 27 65.173 12.742 4.228 1.00 0.00 C ATOM 398 CG ASP A 27 64.470 13.300 2.990 1.00 0.00 C ATOM 399 OD1 ASP A 27 63.741 12.552 2.359 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.671 14.467 2.693 1.00 0.00 O ATOM 0 H ASP A 27 65.117 10.392 4.633 1.00 0.00 H new ATOM 0 HA ASP A 27 66.591 12.016 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.480 12.134 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.500 13.558 4.873 1.00 0.00 H new ATOM 405 N MET A 28 68.082 11.534 5.483 1.00 0.00 N ATOM 406 CA MET A 28 69.307 11.898 6.250 1.00 0.00 C ATOM 407 C MET A 28 70.535 11.869 5.335 1.00 0.00 C ATOM 408 O MET A 28 71.540 12.496 5.609 1.00 0.00 O ATOM 409 CB MET A 28 69.426 10.829 7.338 1.00 0.00 C ATOM 410 CG MET A 28 68.295 11.005 8.354 1.00 0.00 C ATOM 411 SD MET A 28 68.993 11.481 9.955 1.00 0.00 S ATOM 412 CE MET A 28 68.171 10.209 10.948 1.00 0.00 C ATOM 0 H MET A 28 67.652 10.648 5.747 1.00 0.00 H new ATOM 0 HA MET A 28 69.247 12.903 6.669 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.378 9.835 6.893 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.392 10.908 7.836 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.596 11.767 8.009 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.732 10.077 8.452 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.464 10.317 11.992 1.00 0.00 H new ATOM 0 HE2 MET A 28 67.090 10.321 10.861 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.463 9.222 10.589 1.00 0.00 H new ATOM 422 N PHE A 29 70.466 11.139 4.255 1.00 0.00 N ATOM 423 CA PHE A 29 71.637 11.065 3.330 1.00 0.00 C ATOM 424 C PHE A 29 71.215 11.476 1.918 1.00 0.00 C ATOM 425 O PHE A 29 71.658 10.917 0.936 1.00 0.00 O ATOM 426 CB PHE A 29 72.086 9.598 3.351 1.00 0.00 C ATOM 427 CG PHE A 29 71.867 9.015 4.729 1.00 0.00 C ATOM 428 CD1 PHE A 29 72.858 9.143 5.710 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.668 8.359 5.025 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.646 8.614 6.988 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.457 7.828 6.301 1.00 0.00 C ATOM 432 CZ PHE A 29 71.446 7.956 7.285 1.00 0.00 C ATOM 0 H PHE A 29 69.653 10.592 3.972 1.00 0.00 H new ATOM 0 HA PHE A 29 72.442 11.734 3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.526 9.026 2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.139 9.527 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.784 9.649 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 29 69.904 8.262 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.409 8.713 7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.532 7.319 6.528 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.283 7.548 8.271 1.00 0.00 H new ATOM 442 N ASP A 30 70.360 12.452 1.809 1.00 0.00 N ATOM 443 CA ASP A 30 69.908 12.898 0.462 1.00 0.00 C ATOM 444 C ASP A 30 71.086 13.483 -0.322 1.00 0.00 C ATOM 445 O ASP A 30 71.323 14.675 -0.312 1.00 0.00 O ATOM 446 CB ASP A 30 68.857 13.974 0.733 1.00 0.00 C ATOM 447 CG ASP A 30 69.496 15.130 1.505 1.00 0.00 C ATOM 448 OD1 ASP A 30 70.423 14.874 2.255 1.00 0.00 O ATOM 449 OD2 ASP A 30 69.047 16.251 1.333 1.00 0.00 O ATOM 0 H ASP A 30 69.954 12.961 2.594 1.00 0.00 H new ATOM 0 HA ASP A 30 69.506 12.077 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.442 14.336 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.030 13.554 1.306 1.00 0.00 H new ATOM 490 N GLY A 35 65.514 11.565 -2.486 1.00 0.00 N ATOM 491 CA GLY A 35 65.003 10.672 -3.563 1.00 0.00 C ATOM 492 C GLY A 35 65.999 9.534 -3.803 1.00 0.00 C ATOM 493 O GLY A 35 65.642 8.476 -4.283 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.032 10.265 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.857 11.240 -4.482 1.00 0.00 H new ATOM 497 N ASP A 36 67.244 9.743 -3.473 1.00 0.00 N ATOM 498 CA ASP A 36 68.260 8.671 -3.683 1.00 0.00 C ATOM 499 C ASP A 36 69.571 9.036 -2.981 1.00 0.00 C ATOM 500 O ASP A 36 70.117 10.102 -3.181 1.00 0.00 O ATOM 501 CB ASP A 36 68.464 8.605 -5.197 1.00 0.00 C ATOM 502 CG ASP A 36 68.681 10.017 -5.747 1.00 0.00 C ATOM 503 OD1 ASP A 36 67.696 10.689 -6.003 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.828 10.400 -5.904 1.00 0.00 O ATOM 0 H ASP A 36 67.602 10.608 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 36 67.937 7.714 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.323 7.976 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.596 8.148 -5.672 1.00 0.00 H new ATOM 509 N ILE A 37 70.080 8.157 -2.160 1.00 0.00 N ATOM 510 CA ILE A 37 71.357 8.455 -1.450 1.00 0.00 C ATOM 511 C ILE A 37 72.547 7.985 -2.288 1.00 0.00 C ATOM 512 O ILE A 37 72.389 7.293 -3.274 1.00 0.00 O ATOM 513 CB ILE A 37 71.287 7.659 -0.146 1.00 0.00 C ATOM 514 CG1 ILE A 37 70.001 8.010 0.604 1.00 0.00 C ATOM 515 CG2 ILE A 37 72.492 8.006 0.728 1.00 0.00 C ATOM 516 CD1 ILE A 37 69.605 6.839 1.506 1.00 0.00 C ATOM 0 H ILE A 37 69.668 7.248 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 37 71.486 9.523 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 37 71.294 6.593 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.149 8.910 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 37 69.201 8.225 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 37 72.443 7.439 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 37 73.411 7.754 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 37 72.483 9.073 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 37 68.689 7.086 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 37 69.441 5.950 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.403 6.645 2.222 1.00 0.00 H new ATOM 528 N SER A 38 73.738 8.347 -1.900 1.00 0.00 N ATOM 529 CA SER A 38 74.935 7.911 -2.674 1.00 0.00 C ATOM 530 C SER A 38 75.123 6.399 -2.529 1.00 0.00 C ATOM 531 O SER A 38 75.033 5.854 -1.448 1.00 0.00 O ATOM 532 CB SER A 38 76.109 8.660 -2.045 1.00 0.00 C ATOM 533 OG SER A 38 75.901 10.060 -2.182 1.00 0.00 O ATOM 0 H SER A 38 73.935 8.924 -1.083 1.00 0.00 H new ATOM 0 HA SER A 38 74.843 8.124 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.201 8.396 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.042 8.370 -2.529 1.00 0.00 H new ATOM 0 HG SER A 38 76.652 10.543 -1.778 1.00 0.00 H new ATOM 539 N THR A 39 75.381 5.718 -3.610 1.00 0.00 N ATOM 540 CA THR A 39 75.571 4.241 -3.530 1.00 0.00 C ATOM 541 C THR A 39 76.605 3.898 -2.454 1.00 0.00 C ATOM 542 O THR A 39 76.655 2.789 -1.962 1.00 0.00 O ATOM 543 CB THR A 39 76.075 3.832 -4.915 1.00 0.00 C ATOM 544 OG1 THR A 39 77.060 4.759 -5.350 1.00 0.00 O ATOM 545 CG2 THR A 39 74.907 3.823 -5.902 1.00 0.00 C ATOM 0 H THR A 39 75.469 6.118 -4.544 1.00 0.00 H new ATOM 0 HA THR A 39 74.653 3.719 -3.262 1.00 0.00 H new ATOM 0 HB THR A 39 76.512 2.835 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.386 4.498 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.267 3.532 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 39 74.152 3.112 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.468 4.819 -5.956 1.00 0.00 H new ATOM 553 N LYS A 40 77.427 4.840 -2.085 1.00 0.00 N ATOM 554 CA LYS A 40 78.454 4.565 -1.039 1.00 0.00 C ATOM 555 C LYS A 40 77.853 4.767 0.356 1.00 0.00 C ATOM 556 O LYS A 40 78.330 4.223 1.334 1.00 0.00 O ATOM 557 CB LYS A 40 79.572 5.578 -1.302 1.00 0.00 C ATOM 558 CG LYS A 40 79.140 6.962 -0.811 1.00 0.00 C ATOM 559 CD LYS A 40 79.551 7.136 0.652 1.00 0.00 C ATOM 560 CE LYS A 40 80.190 8.513 0.845 1.00 0.00 C ATOM 561 NZ LYS A 40 80.128 8.762 2.313 1.00 0.00 N ATOM 0 H LYS A 40 77.433 5.788 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 40 78.822 3.540 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 40 80.484 5.269 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.800 5.614 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.601 7.737 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 40 78.061 7.075 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 40 78.680 7.034 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.254 6.354 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.219 8.525 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 40 79.650 9.281 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 80.548 9.689 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 79.136 8.751 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 80.657 8.019 2.814 1.00 0.00 H new ATOM 575 N GLU A 41 76.809 5.544 0.455 1.00 0.00 N ATOM 576 CA GLU A 41 76.175 5.779 1.785 1.00 0.00 C ATOM 577 C GLU A 41 74.951 4.876 1.953 1.00 0.00 C ATOM 578 O GLU A 41 74.319 4.856 2.991 1.00 0.00 O ATOM 579 CB GLU A 41 75.758 7.250 1.769 1.00 0.00 C ATOM 580 CG GLU A 41 74.933 7.560 3.020 1.00 0.00 C ATOM 581 CD GLU A 41 75.493 8.808 3.706 1.00 0.00 C ATOM 582 OE1 GLU A 41 75.776 9.767 3.008 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.632 8.782 4.918 1.00 0.00 O ATOM 0 H GLU A 41 76.367 6.027 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 41 76.850 5.555 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.640 7.889 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 41 75.175 7.464 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.889 7.718 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.960 6.713 3.705 1.00 0.00 H new ATOM 590 N LEU A 42 74.611 4.127 0.940 1.00 0.00 N ATOM 591 CA LEU A 42 73.427 3.225 1.037 1.00 0.00 C ATOM 592 C LEU A 42 73.574 2.282 2.236 1.00 0.00 C ATOM 593 O LEU A 42 72.619 1.676 2.680 1.00 0.00 O ATOM 594 CB LEU A 42 73.428 2.434 -0.270 1.00 0.00 C ATOM 595 CG LEU A 42 72.051 1.806 -0.488 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.715 1.821 -1.979 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.065 0.362 0.016 1.00 0.00 C ATOM 0 H LEU A 42 75.103 4.100 0.047 1.00 0.00 H new ATOM 0 HA LEU A 42 72.498 3.776 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.676 3.090 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.192 1.658 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 42 71.300 2.376 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.733 1.373 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.706 2.850 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.465 1.251 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.084 -0.087 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.815 -0.208 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.306 0.350 1.079 1.00 0.00 H new ATOM 609 N GLY A 43 74.761 2.154 2.762 1.00 0.00 N ATOM 610 CA GLY A 43 74.963 1.250 3.930 1.00 0.00 C ATOM 611 C GLY A 43 74.530 1.969 5.210 1.00 0.00 C ATOM 612 O GLY A 43 74.088 1.354 6.160 1.00 0.00 O ATOM 0 H GLY A 43 75.599 2.635 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.385 0.335 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.011 0.957 4.001 1.00 0.00 H new ATOM 616 N THR A 44 74.655 3.267 5.241 1.00 0.00 N ATOM 617 CA THR A 44 74.250 4.026 6.460 1.00 0.00 C ATOM 618 C THR A 44 72.724 4.109 6.551 1.00 0.00 C ATOM 619 O THR A 44 72.136 3.798 7.569 1.00 0.00 O ATOM 620 CB THR A 44 74.851 5.420 6.277 1.00 0.00 C ATOM 621 OG1 THR A 44 76.264 5.347 6.414 1.00 0.00 O ATOM 622 CG2 THR A 44 74.282 6.364 7.337 1.00 0.00 C ATOM 0 H THR A 44 75.020 3.835 4.476 1.00 0.00 H new ATOM 0 HA THR A 44 74.597 3.548 7.376 1.00 0.00 H new ATOM 0 HB THR A 44 74.601 5.797 5.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.651 6.240 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.710 7.358 7.207 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.199 6.419 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.531 5.989 8.330 1.00 0.00 H new ATOM 630 N VAL A 45 72.079 4.528 5.497 1.00 0.00 N ATOM 631 CA VAL A 45 70.591 4.632 5.528 1.00 0.00 C ATOM 632 C VAL A 45 69.986 3.367 6.141 1.00 0.00 C ATOM 633 O VAL A 45 69.005 3.421 6.856 1.00 0.00 O ATOM 634 CB VAL A 45 70.172 4.778 4.065 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.597 3.535 3.283 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.652 4.936 3.984 1.00 0.00 C ATOM 0 H VAL A 45 72.516 4.802 4.617 1.00 0.00 H new ATOM 0 HA VAL A 45 70.247 5.471 6.133 1.00 0.00 H new ATOM 0 HB VAL A 45 70.654 5.657 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.297 3.641 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.680 3.422 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.117 2.655 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.352 5.040 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.171 4.057 4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.348 5.823 4.539 1.00 0.00 H new ATOM 646 N MET A 46 70.562 2.229 5.870 1.00 0.00 N ATOM 647 CA MET A 46 70.018 0.963 6.441 1.00 0.00 C ATOM 648 C MET A 46 70.479 0.799 7.891 1.00 0.00 C ATOM 649 O MET A 46 69.798 0.210 8.706 1.00 0.00 O ATOM 650 CB MET A 46 70.593 -0.148 5.565 1.00 0.00 C ATOM 651 CG MET A 46 69.783 -0.245 4.272 1.00 0.00 C ATOM 652 SD MET A 46 68.735 -1.719 4.327 1.00 0.00 S ATOM 653 CE MET A 46 70.031 -2.928 3.968 1.00 0.00 C ATOM 0 H MET A 46 71.386 2.120 5.278 1.00 0.00 H new ATOM 0 HA MET A 46 68.928 0.948 6.450 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.639 0.058 5.337 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.564 -1.098 6.098 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.169 0.647 4.147 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.453 -0.294 3.413 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.579 -3.844 3.588 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.711 -2.521 3.219 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.586 -3.148 4.880 1.00 0.00 H new ATOM 663 N ARG A 47 71.632 1.317 8.219 1.00 0.00 N ATOM 664 CA ARG A 47 72.132 1.191 9.617 1.00 0.00 C ATOM 665 C ARG A 47 71.410 2.188 10.527 1.00 0.00 C ATOM 666 O ARG A 47 71.011 1.862 11.627 1.00 0.00 O ATOM 667 CB ARG A 47 73.623 1.521 9.537 1.00 0.00 C ATOM 668 CG ARG A 47 74.396 0.286 9.073 1.00 0.00 C ATOM 669 CD ARG A 47 75.706 0.721 8.412 1.00 0.00 C ATOM 670 NE ARG A 47 76.150 -0.462 7.626 1.00 0.00 N ATOM 671 CZ ARG A 47 77.391 -0.554 7.229 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.844 0.256 6.313 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.177 -1.456 7.751 1.00 0.00 N ATOM 0 H ARG A 47 72.248 1.821 7.580 1.00 0.00 H new ATOM 0 HA ARG A 47 71.957 0.198 10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.787 2.347 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.987 1.846 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.604 -0.366 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.795 -0.289 8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.555 1.588 7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.450 1.002 9.157 1.00 0.00 H new ATOM 0 HE ARG A 47 75.485 -1.201 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.229 0.961 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.813 0.184 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.822 -2.088 8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.146 -1.529 7.442 1.00 0.00 H new ATOM 687 N MET A 48 71.240 3.400 10.074 1.00 0.00 N ATOM 688 CA MET A 48 70.543 4.418 10.913 1.00 0.00 C ATOM 689 C MET A 48 69.064 4.053 11.068 1.00 0.00 C ATOM 690 O MET A 48 68.353 4.630 11.866 1.00 0.00 O ATOM 691 CB MET A 48 70.693 5.732 10.147 1.00 0.00 C ATOM 692 CG MET A 48 72.000 6.414 10.555 1.00 0.00 C ATOM 693 SD MET A 48 71.828 7.099 12.222 1.00 0.00 S ATOM 694 CE MET A 48 73.067 8.407 12.059 1.00 0.00 C ATOM 0 H MET A 48 71.553 3.730 9.161 1.00 0.00 H new ATOM 0 HA MET A 48 70.961 4.482 11.918 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.689 5.542 9.074 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.847 6.387 10.358 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.821 5.697 10.528 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.245 7.207 9.848 1.00 0.00 H new ATOM 0 HE1 MET A 48 73.129 8.968 12.992 1.00 0.00 H new ATOM 0 HE2 MET A 48 74.038 7.963 11.838 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.782 9.079 11.250 1.00 0.00 H new ATOM 704 N LEU A 49 68.596 3.099 10.310 1.00 0.00 N ATOM 705 CA LEU A 49 67.163 2.699 10.416 1.00 0.00 C ATOM 706 C LEU A 49 67.001 1.597 11.467 1.00 0.00 C ATOM 707 O LEU A 49 66.089 1.620 12.269 1.00 0.00 O ATOM 708 CB LEU A 49 66.796 2.174 9.029 1.00 0.00 C ATOM 709 CG LEU A 49 66.381 3.343 8.134 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.458 2.915 6.667 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.947 3.758 8.469 1.00 0.00 C ATOM 0 H LEU A 49 69.143 2.580 9.623 1.00 0.00 H new ATOM 0 HA LEU A 49 66.523 3.527 10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.645 1.650 8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.982 1.453 9.105 1.00 0.00 H new ATOM 0 HG LEU A 49 67.052 4.185 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.162 3.748 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.479 2.619 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.787 2.073 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.651 4.591 7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.276 2.916 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.891 4.063 9.514 1.00 0.00 H new ATOM 723 N GLY A 50 67.879 0.633 11.467 1.00 0.00 N ATOM 724 CA GLY A 50 67.776 -0.469 12.464 1.00 0.00 C ATOM 725 C GLY A 50 68.411 -1.736 11.892 1.00 0.00 C ATOM 726 O GLY A 50 68.744 -2.656 12.614 1.00 0.00 O ATOM 0 H GLY A 50 68.664 0.561 10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.277 -0.184 13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.731 -0.653 12.711 1.00 0.00 H new ATOM 730 N GLN A 51 68.581 -1.796 10.600 1.00 0.00 N ATOM 731 CA GLN A 51 69.195 -3.008 9.986 1.00 0.00 C ATOM 732 C GLN A 51 70.703 -2.810 9.822 1.00 0.00 C ATOM 733 O GLN A 51 71.265 -1.836 10.282 1.00 0.00 O ATOM 734 CB GLN A 51 68.525 -3.153 8.618 1.00 0.00 C ATOM 735 CG GLN A 51 67.022 -2.922 8.759 1.00 0.00 C ATOM 736 CD GLN A 51 66.471 -3.820 9.868 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.670 -5.018 9.850 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.783 -3.287 10.841 1.00 0.00 N ATOM 0 H GLN A 51 68.322 -1.060 9.943 1.00 0.00 H new ATOM 0 HA GLN A 51 69.053 -3.895 10.603 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.949 -2.436 7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.714 -4.147 8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.824 -1.876 8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.520 -3.140 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.616 -2.281 10.856 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.413 -3.877 11.586 1.00 0.00 H new ATOM 747 N ASN A 52 71.360 -3.728 9.172 1.00 0.00 N ATOM 748 CA ASN A 52 72.832 -3.594 8.979 1.00 0.00 C ATOM 749 C ASN A 52 73.301 -4.480 7.822 1.00 0.00 C ATOM 750 O ASN A 52 73.581 -5.648 8.009 1.00 0.00 O ATOM 751 CB ASN A 52 73.446 -4.064 10.298 1.00 0.00 C ATOM 752 CG ASN A 52 74.688 -3.227 10.610 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.657 -2.369 11.470 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.787 -3.440 9.942 1.00 0.00 N ATOM 0 H ASN A 52 70.943 -4.565 8.766 1.00 0.00 H new ATOM 0 HA ASN A 52 73.124 -2.573 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.719 -3.969 11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.713 -5.119 10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.620 -2.887 10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 52 75.814 -4.160 9.220 1.00 0.00 H new ATOM 761 N PRO A 53 73.373 -3.890 6.659 1.00 0.00 N ATOM 762 CA PRO A 53 73.817 -4.633 5.455 1.00 0.00 C ATOM 763 C PRO A 53 75.328 -4.877 5.512 1.00 0.00 C ATOM 764 O PRO A 53 76.110 -3.954 5.624 1.00 0.00 O ATOM 765 CB PRO A 53 73.463 -3.696 4.305 1.00 0.00 C ATOM 766 CG PRO A 53 73.443 -2.329 4.911 1.00 0.00 C ATOM 767 CD PRO A 53 73.053 -2.490 6.359 1.00 0.00 C ATOM 0 HA PRO A 53 73.351 -5.613 5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.198 -3.761 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.495 -3.950 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.421 -1.856 4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.732 -1.687 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.610 -1.807 7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.994 -2.281 6.513 1.00 0.00 H new ATOM 775 N THR A 54 75.746 -6.111 5.436 1.00 0.00 N ATOM 776 CA THR A 54 77.208 -6.406 5.487 1.00 0.00 C ATOM 777 C THR A 54 77.932 -5.689 4.344 1.00 0.00 C ATOM 778 O THR A 54 77.387 -5.496 3.275 1.00 0.00 O ATOM 779 CB THR A 54 77.319 -7.923 5.321 1.00 0.00 C ATOM 780 OG1 THR A 54 76.059 -8.454 4.934 1.00 0.00 O ATOM 781 CG2 THR A 54 77.756 -8.553 6.645 1.00 0.00 C ATOM 0 H THR A 54 75.141 -6.927 5.341 1.00 0.00 H new ATOM 0 HA THR A 54 77.662 -6.065 6.417 1.00 0.00 H new ATOM 0 HB THR A 54 78.058 -8.149 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.088 -9.432 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 54 77.835 -9.634 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 54 78.725 -8.149 6.938 1.00 0.00 H new ATOM 0 HG23 THR A 54 77.020 -8.326 7.416 1.00 0.00 H new ATOM 789 N LYS A 55 79.157 -5.293 4.559 1.00 0.00 N ATOM 790 CA LYS A 55 79.912 -4.590 3.482 1.00 0.00 C ATOM 791 C LYS A 55 79.871 -5.410 2.190 1.00 0.00 C ATOM 792 O LYS A 55 79.434 -4.940 1.159 1.00 0.00 O ATOM 793 CB LYS A 55 81.344 -4.482 4.006 1.00 0.00 C ATOM 794 CG LYS A 55 82.010 -3.236 3.415 1.00 0.00 C ATOM 795 CD LYS A 55 82.768 -2.490 4.516 1.00 0.00 C ATOM 796 CE LYS A 55 81.806 -1.564 5.265 1.00 0.00 C ATOM 797 NZ LYS A 55 82.374 -0.198 5.089 1.00 0.00 N ATOM 0 H LYS A 55 79.667 -5.425 5.432 1.00 0.00 H new ATOM 0 HA LYS A 55 79.490 -3.612 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.341 -4.425 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.910 -5.373 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.695 -3.521 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.257 -2.584 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.217 -3.202 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.583 -1.910 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.797 -1.628 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.740 -1.832 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.769 0.495 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.332 -0.166 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.418 0.032 4.076 1.00 0.00 H new ATOM 811 N GLU A 56 80.324 -6.634 2.238 1.00 0.00 N ATOM 812 CA GLU A 56 80.307 -7.480 1.011 1.00 0.00 C ATOM 813 C GLU A 56 78.941 -7.384 0.326 1.00 0.00 C ATOM 814 O GLU A 56 78.845 -7.331 -0.884 1.00 0.00 O ATOM 815 CB GLU A 56 80.564 -8.905 1.505 1.00 0.00 C ATOM 816 CG GLU A 56 81.670 -9.547 0.664 1.00 0.00 C ATOM 817 CD GLU A 56 81.123 -9.889 -0.723 1.00 0.00 C ATOM 818 OE1 GLU A 56 79.914 -9.972 -0.858 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.924 -10.060 -1.628 1.00 0.00 O ATOM 0 H GLU A 56 80.704 -7.083 3.071 1.00 0.00 H new ATOM 0 HA GLU A 56 81.052 -7.165 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.854 -8.890 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.650 -9.496 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 56 82.516 -8.865 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.037 -10.449 1.154 1.00 0.00 H new ATOM 826 N GLU A 57 77.884 -7.357 1.092 1.00 0.00 N ATOM 827 CA GLU A 57 76.527 -7.260 0.483 1.00 0.00 C ATOM 828 C GLU A 57 76.343 -5.889 -0.172 1.00 0.00 C ATOM 829 O GLU A 57 75.911 -5.783 -1.302 1.00 0.00 O ATOM 830 CB GLU A 57 75.553 -7.434 1.650 1.00 0.00 C ATOM 831 CG GLU A 57 75.554 -8.896 2.101 1.00 0.00 C ATOM 832 CD GLU A 57 74.152 -9.286 2.575 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.225 -9.151 1.793 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.029 -9.712 3.712 1.00 0.00 O ATOM 0 H GLU A 57 77.902 -7.398 2.111 1.00 0.00 H new ATOM 0 HA GLU A 57 76.367 -8.008 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.841 -6.787 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.549 -7.136 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.864 -9.541 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 57 76.274 -9.038 2.907 1.00 0.00 H new ATOM 841 N LEU A 58 76.673 -4.837 0.528 1.00 0.00 N ATOM 842 CA LEU A 58 76.522 -3.475 -0.061 1.00 0.00 C ATOM 843 C LEU A 58 77.143 -3.440 -1.459 1.00 0.00 C ATOM 844 O LEU A 58 76.504 -3.065 -2.423 1.00 0.00 O ATOM 845 CB LEU A 58 77.277 -2.546 0.890 1.00 0.00 C ATOM 846 CG LEU A 58 76.516 -2.443 2.212 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.162 -1.372 3.091 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.062 -2.061 1.930 1.00 0.00 C ATOM 0 H LEU A 58 77.040 -4.861 1.480 1.00 0.00 H new ATOM 0 HA LEU A 58 75.478 -3.180 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.283 -2.927 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.384 -1.558 0.442 1.00 0.00 H new ATOM 0 HG LEU A 58 76.549 -3.403 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.619 -1.299 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.199 -1.641 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.129 -0.411 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.516 -1.987 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.031 -1.100 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.601 -2.823 1.302 1.00 0.00 H new ATOM 860 N ASP A 59 78.381 -3.836 -1.580 1.00 0.00 N ATOM 861 CA ASP A 59 79.035 -3.830 -2.920 1.00 0.00 C ATOM 862 C ASP A 59 78.281 -4.766 -3.868 1.00 0.00 C ATOM 863 O ASP A 59 78.252 -4.564 -5.065 1.00 0.00 O ATOM 864 CB ASP A 59 80.453 -4.343 -2.672 1.00 0.00 C ATOM 865 CG ASP A 59 81.214 -4.402 -3.997 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.868 -3.645 -4.890 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.128 -5.202 -4.098 1.00 0.00 O ATOM 0 H ASP A 59 78.967 -4.163 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 59 79.038 -2.841 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.971 -3.687 -1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.418 -5.332 -2.216 1.00 0.00 H new ATOM 872 N ALA A 60 77.669 -5.790 -3.338 1.00 0.00 N ATOM 873 CA ALA A 60 76.913 -6.738 -4.204 1.00 0.00 C ATOM 874 C ALA A 60 75.544 -6.150 -4.553 1.00 0.00 C ATOM 875 O ALA A 60 75.075 -6.264 -5.668 1.00 0.00 O ATOM 876 CB ALA A 60 76.754 -8.003 -3.360 1.00 0.00 C ATOM 0 H ALA A 60 77.660 -6.011 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 60 77.424 -6.939 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.205 -8.753 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.738 -8.393 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.205 -7.766 -2.449 1.00 0.00 H new ATOM 882 N ILE A 61 74.902 -5.519 -3.609 1.00 0.00 N ATOM 883 CA ILE A 61 73.565 -4.920 -3.888 1.00 0.00 C ATOM 884 C ILE A 61 73.728 -3.628 -4.691 1.00 0.00 C ATOM 885 O ILE A 61 72.997 -3.373 -5.627 1.00 0.00 O ATOM 886 CB ILE A 61 72.962 -4.628 -2.515 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.618 -5.947 -1.820 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.690 -3.796 -2.683 1.00 0.00 C ATOM 889 CD1 ILE A 61 73.256 -5.974 -0.429 1.00 0.00 C ATOM 0 H ILE A 61 75.245 -5.392 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 61 72.929 -5.583 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 61 73.682 -4.074 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.537 -6.055 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.978 -6.787 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.260 -3.588 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 61 71.933 -2.857 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.970 -4.350 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 73.011 -6.914 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.338 -5.885 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.874 -5.142 0.163 1.00 0.00 H new ATOM 901 N ILE A 62 74.685 -2.813 -4.338 1.00 0.00 N ATOM 902 CA ILE A 62 74.890 -1.546 -5.093 1.00 0.00 C ATOM 903 C ILE A 62 75.029 -1.855 -6.583 1.00 0.00 C ATOM 904 O ILE A 62 74.283 -1.359 -7.403 1.00 0.00 O ATOM 905 CB ILE A 62 76.190 -0.958 -4.545 1.00 0.00 C ATOM 906 CG1 ILE A 62 75.934 -0.352 -3.162 1.00 0.00 C ATOM 907 CG2 ILE A 62 76.695 0.132 -5.493 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.244 0.191 -2.592 1.00 0.00 C ATOM 0 H ILE A 62 75.330 -2.969 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 62 74.056 -0.853 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 62 76.939 -1.746 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.198 0.448 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.520 -1.107 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 62 77.622 0.552 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 62 76.877 -0.298 -6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 62 75.946 0.919 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.061 0.622 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.967 -0.620 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.639 0.959 -3.257 1.00 0.00 H new ATOM 920 N GLU A 63 75.973 -2.682 -6.937 1.00 0.00 N ATOM 921 CA GLU A 63 76.156 -3.035 -8.372 1.00 0.00 C ATOM 922 C GLU A 63 74.816 -3.463 -8.975 1.00 0.00 C ATOM 923 O GLU A 63 74.490 -3.122 -10.095 1.00 0.00 O ATOM 924 CB GLU A 63 77.143 -4.202 -8.367 1.00 0.00 C ATOM 925 CG GLU A 63 77.678 -4.427 -9.783 1.00 0.00 C ATOM 926 CD GLU A 63 79.182 -4.701 -9.725 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.719 -4.719 -8.630 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.770 -4.888 -10.777 1.00 0.00 O ATOM 0 H GLU A 63 76.626 -3.129 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 63 76.522 -2.198 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.967 -3.992 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.652 -5.105 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.163 -5.267 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 63 77.481 -3.551 -10.401 1.00 0.00 H new ATOM 935 N GLU A 64 74.036 -4.204 -8.236 1.00 0.00 N ATOM 936 CA GLU A 64 72.713 -4.648 -8.760 1.00 0.00 C ATOM 937 C GLU A 64 71.834 -3.427 -9.047 1.00 0.00 C ATOM 938 O GLU A 64 71.123 -3.376 -10.031 1.00 0.00 O ATOM 939 CB GLU A 64 72.117 -5.506 -7.637 1.00 0.00 C ATOM 940 CG GLU A 64 70.590 -5.548 -7.760 1.00 0.00 C ATOM 941 CD GLU A 64 70.040 -6.694 -6.908 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.831 -7.346 -6.247 1.00 0.00 O ATOM 943 OE2 GLU A 64 68.837 -6.898 -6.930 1.00 0.00 O ATOM 0 H GLU A 64 74.258 -4.521 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 64 72.791 -5.206 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.522 -6.517 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.400 -5.097 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.162 -4.600 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.302 -5.685 -8.802 1.00 0.00 H new ATOM 950 N VAL A 65 71.882 -2.442 -8.192 1.00 0.00 N ATOM 951 CA VAL A 65 71.055 -1.221 -8.413 1.00 0.00 C ATOM 952 C VAL A 65 71.878 -0.151 -9.136 1.00 0.00 C ATOM 953 O VAL A 65 71.369 0.881 -9.524 1.00 0.00 O ATOM 954 CB VAL A 65 70.668 -0.748 -7.011 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.192 -1.943 -6.182 1.00 0.00 C ATOM 956 CG2 VAL A 65 71.884 -0.113 -6.332 1.00 0.00 C ATOM 0 H VAL A 65 72.458 -2.430 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 65 70.179 -1.418 -9.032 1.00 0.00 H new ATOM 0 HB VAL A 65 69.867 -0.013 -7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.916 -1.606 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.326 -2.398 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.994 -2.677 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.608 0.224 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.685 -0.849 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.226 0.738 -6.921 1.00 0.00 H new ATOM 966 N ASP A 66 73.148 -0.393 -9.320 1.00 0.00 N ATOM 967 CA ASP A 66 74.005 0.608 -10.017 1.00 0.00 C ATOM 968 C ASP A 66 74.213 0.200 -11.477 1.00 0.00 C ATOM 969 O ASP A 66 75.323 -0.031 -11.915 1.00 0.00 O ATOM 970 CB ASP A 66 75.334 0.590 -9.261 1.00 0.00 C ATOM 971 CG ASP A 66 76.273 1.641 -9.854 1.00 0.00 C ATOM 972 OD1 ASP A 66 75.812 2.739 -10.116 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.439 1.329 -10.038 1.00 0.00 O ATOM 0 H ASP A 66 73.629 -1.240 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 66 73.555 1.601 -10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.166 0.793 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.789 -0.398 -9.327 1.00 0.00 H new ATOM 1030 N THR A 72 72.824 6.865 -8.203 1.00 0.00 N ATOM 1031 CA THR A 72 72.544 6.491 -6.786 1.00 0.00 C ATOM 1032 C THR A 72 71.377 5.500 -6.722 1.00 0.00 C ATOM 1033 O THR A 72 70.980 4.929 -7.718 1.00 0.00 O ATOM 1034 CB THR A 72 72.170 7.804 -6.098 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.383 8.592 -6.981 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.440 8.569 -5.724 1.00 0.00 C ATOM 0 HA THR A 72 73.397 6.009 -6.309 1.00 0.00 H new ATOM 0 HB THR A 72 71.600 7.590 -5.194 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.035 9.372 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.170 9.504 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.042 7.965 -5.046 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.014 8.784 -6.625 1.00 0.00 H new ATOM 1044 N ILE A 73 70.827 5.293 -5.556 1.00 0.00 N ATOM 1045 CA ILE A 73 69.688 4.339 -5.429 1.00 0.00 C ATOM 1046 C ILE A 73 68.370 5.105 -5.280 1.00 0.00 C ATOM 1047 O ILE A 73 68.300 6.110 -4.602 1.00 0.00 O ATOM 1048 CB ILE A 73 69.985 3.534 -4.163 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.810 2.598 -3.867 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.185 4.487 -2.985 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.049 1.249 -4.547 1.00 0.00 C ATOM 0 H ILE A 73 71.117 5.742 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 73 69.586 3.699 -6.305 1.00 0.00 H new ATOM 0 HB ILE A 73 70.891 2.947 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.702 2.461 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.880 3.039 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.397 3.912 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.021 5.154 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.280 5.076 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.213 0.582 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.135 1.395 -5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.970 0.808 -4.166 1.00 0.00 H new ATOM 1063 N ASP A 74 67.327 4.639 -5.909 1.00 0.00 N ATOM 1064 CA ASP A 74 66.016 5.343 -5.804 1.00 0.00 C ATOM 1065 C ASP A 74 65.283 4.910 -4.532 1.00 0.00 C ATOM 1066 O ASP A 74 65.209 3.739 -4.214 1.00 0.00 O ATOM 1067 CB ASP A 74 65.236 4.913 -7.047 1.00 0.00 C ATOM 1068 CG ASP A 74 65.966 5.397 -8.301 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.174 6.593 -8.417 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.304 4.562 -9.124 1.00 0.00 O ATOM 0 H ASP A 74 67.325 3.802 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 74 66.131 6.426 -5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.135 3.828 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.228 5.327 -7.018 1.00 0.00 H new ATOM 1075 N PHE A 75 64.739 5.846 -3.801 1.00 0.00 N ATOM 1076 CA PHE A 75 64.012 5.485 -2.550 1.00 0.00 C ATOM 1077 C PHE A 75 63.047 4.327 -2.817 1.00 0.00 C ATOM 1078 O PHE A 75 63.078 3.315 -2.146 1.00 0.00 O ATOM 1079 CB PHE A 75 63.242 6.748 -2.161 1.00 0.00 C ATOM 1080 CG PHE A 75 62.607 6.553 -0.805 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.413 5.832 -0.688 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.212 7.092 0.337 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.824 5.651 0.569 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.623 6.910 1.594 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.428 6.190 1.709 1.00 0.00 C ATOM 0 H PHE A 75 64.767 6.843 -4.016 1.00 0.00 H new ATOM 0 HA PHE A 75 64.687 5.160 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.915 7.605 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.476 6.963 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.946 5.415 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.133 7.648 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.903 5.095 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.090 7.325 2.475 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.973 6.051 2.678 1.00 0.00 H new ATOM 1095 N GLU A 76 62.191 4.467 -3.793 1.00 0.00 N ATOM 1096 CA GLU A 76 61.227 3.372 -4.098 1.00 0.00 C ATOM 1097 C GLU A 76 61.979 2.060 -4.340 1.00 0.00 C ATOM 1098 O GLU A 76 61.658 1.037 -3.771 1.00 0.00 O ATOM 1099 CB GLU A 76 60.506 3.820 -5.369 1.00 0.00 C ATOM 1100 CG GLU A 76 59.139 4.401 -5.003 1.00 0.00 C ATOM 1101 CD GLU A 76 58.121 4.039 -6.085 1.00 0.00 C ATOM 1102 OE1 GLU A 76 58.541 3.576 -7.133 1.00 0.00 O ATOM 1103 OE2 GLU A 76 56.940 4.231 -5.848 1.00 0.00 O ATOM 0 H GLU A 76 62.118 5.290 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 76 60.531 3.193 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.102 4.567 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.384 2.976 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.814 4.011 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.208 5.484 -4.902 1.00 0.00 H new ATOM 1110 N GLU A 77 62.980 2.081 -5.178 1.00 0.00 N ATOM 1111 CA GLU A 77 63.749 0.832 -5.446 1.00 0.00 C ATOM 1112 C GLU A 77 64.595 0.471 -4.224 1.00 0.00 C ATOM 1113 O GLU A 77 64.956 -0.671 -4.020 1.00 0.00 O ATOM 1114 CB GLU A 77 64.641 1.165 -6.643 1.00 0.00 C ATOM 1115 CG GLU A 77 65.583 -0.009 -6.921 1.00 0.00 C ATOM 1116 CD GLU A 77 64.762 -1.262 -7.232 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.768 -1.138 -7.928 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.143 -2.326 -6.770 1.00 0.00 O ATOM 0 H GLU A 77 63.298 2.906 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 77 63.103 -0.022 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.028 1.369 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.218 2.067 -6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.237 0.227 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 77 66.224 -0.187 -6.057 1.00 0.00 H new ATOM 1125 N PHE A 78 64.910 1.438 -3.406 1.00 0.00 N ATOM 1126 CA PHE A 78 65.726 1.155 -2.191 1.00 0.00 C ATOM 1127 C PHE A 78 64.872 0.430 -1.149 1.00 0.00 C ATOM 1128 O PHE A 78 65.375 -0.289 -0.308 1.00 0.00 O ATOM 1129 CB PHE A 78 66.157 2.529 -1.677 1.00 0.00 C ATOM 1130 CG PHE A 78 66.670 2.402 -0.264 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.938 1.857 -0.025 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.879 2.830 0.810 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.416 1.741 1.286 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.357 2.713 2.121 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.624 2.169 2.359 1.00 0.00 C ATOM 0 H PHE A 78 64.637 2.413 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 78 66.583 0.515 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.933 2.942 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.315 3.221 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.548 1.526 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.901 3.250 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.394 1.322 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.747 3.043 2.949 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.991 2.079 3.371 1.00 0.00 H new ATOM 1145 N LEU A 79 63.580 0.610 -1.203 1.00 0.00 N ATOM 1146 CA LEU A 79 62.687 -0.070 -0.222 1.00 0.00 C ATOM 1147 C LEU A 79 63.013 -1.564 -0.171 1.00 0.00 C ATOM 1148 O LEU A 79 62.807 -2.223 0.829 1.00 0.00 O ATOM 1149 CB LEU A 79 61.272 0.157 -0.761 1.00 0.00 C ATOM 1150 CG LEU A 79 60.600 1.318 -0.016 1.00 0.00 C ATOM 1151 CD1 LEU A 79 61.612 2.436 0.248 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.456 1.871 -0.870 1.00 0.00 C ATOM 0 H LEU A 79 63.104 1.200 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 79 62.803 0.316 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.312 0.375 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.680 -0.751 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 79 60.216 0.952 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 79 61.122 3.253 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 79 62.431 2.050 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 79 62.005 2.802 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 79 58.976 2.696 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.851 2.228 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 79 58.725 1.083 -1.053 1.00 0.00 H new ATOM 1164 N VAL A 80 63.523 -2.102 -1.245 1.00 0.00 N ATOM 1165 CA VAL A 80 63.866 -3.553 -1.265 1.00 0.00 C ATOM 1166 C VAL A 80 65.077 -3.818 -0.366 1.00 0.00 C ATOM 1167 O VAL A 80 65.195 -4.864 0.239 1.00 0.00 O ATOM 1168 CB VAL A 80 64.205 -3.862 -2.724 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.105 -3.315 -3.635 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.538 -3.204 -3.087 1.00 0.00 C ATOM 0 H VAL A 80 63.717 -1.599 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 80 63.051 -4.176 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 80 64.281 -4.941 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.349 -3.537 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.154 -3.782 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.026 -2.236 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.781 -3.423 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.460 -2.125 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.324 -3.594 -2.441 1.00 0.00 H new ATOM 1180 N MET A 81 65.976 -2.876 -0.273 1.00 0.00 N ATOM 1181 CA MET A 81 67.177 -3.076 0.588 1.00 0.00 C ATOM 1182 C MET A 81 66.775 -3.021 2.064 1.00 0.00 C ATOM 1183 O MET A 81 67.375 -3.659 2.906 1.00 0.00 O ATOM 1184 CB MET A 81 68.112 -1.919 0.241 1.00 0.00 C ATOM 1185 CG MET A 81 69.089 -2.362 -0.850 1.00 0.00 C ATOM 1186 SD MET A 81 70.735 -2.585 -0.132 1.00 0.00 S ATOM 1187 CE MET A 81 70.322 -3.974 0.952 1.00 0.00 C ATOM 0 H MET A 81 65.931 -1.978 -0.755 1.00 0.00 H new ATOM 0 HA MET A 81 67.652 -4.043 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.534 -1.060 -0.100 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.660 -1.602 1.128 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.748 -3.294 -1.302 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.125 -1.617 -1.645 1.00 0.00 H new ATOM 0 HE1 MET A 81 71.154 -4.167 1.629 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.431 -3.731 1.532 1.00 0.00 H new ATOM 0 HE3 MET A 81 70.131 -4.862 0.349 1.00 0.00 H new ATOM 1197 N MET A 82 65.759 -2.266 2.380 1.00 0.00 N ATOM 1198 CA MET A 82 65.313 -2.173 3.799 1.00 0.00 C ATOM 1199 C MET A 82 64.580 -3.453 4.202 1.00 0.00 C ATOM 1200 O MET A 82 64.839 -4.028 5.240 1.00 0.00 O ATOM 1201 CB MET A 82 64.364 -0.975 3.834 1.00 0.00 C ATOM 1202 CG MET A 82 65.138 0.296 3.481 1.00 0.00 C ATOM 1203 SD MET A 82 66.508 0.509 4.646 1.00 0.00 S ATOM 1204 CE MET A 82 65.588 0.122 6.156 1.00 0.00 C ATOM 0 H MET A 82 65.219 -1.710 1.717 1.00 0.00 H new ATOM 0 HA MET A 82 66.146 -2.052 4.491 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.546 -1.124 3.129 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.918 -0.879 4.824 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.519 0.232 2.462 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.476 1.161 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 82 66.161 0.446 7.025 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.629 0.640 6.141 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.419 -0.953 6.214 1.00 0.00 H new ATOM 1214 N VAL A 83 63.666 -3.904 3.388 1.00 0.00 N ATOM 1215 CA VAL A 83 62.916 -5.149 3.723 1.00 0.00 C ATOM 1216 C VAL A 83 63.823 -6.370 3.568 1.00 0.00 C ATOM 1217 O VAL A 83 64.072 -7.093 4.513 1.00 0.00 O ATOM 1218 CB VAL A 83 61.771 -5.206 2.714 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.864 -6.392 3.040 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.964 -3.909 2.786 1.00 0.00 C ATOM 0 H VAL A 83 63.405 -3.465 2.505 1.00 0.00 H new ATOM 0 HA VAL A 83 62.555 -5.148 4.751 1.00 0.00 H new ATOM 0 HB VAL A 83 62.176 -5.325 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.046 -6.433 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.440 -7.316 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.457 -6.274 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.146 -3.949 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.558 -3.789 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.612 -3.064 2.553 1.00 0.00 H new ATOM 1230 N ARG A 84 64.318 -6.605 2.383 1.00 0.00 N ATOM 1231 CA ARG A 84 65.210 -7.780 2.167 1.00 0.00 C ATOM 1232 C ARG A 84 66.196 -7.907 3.329 1.00 0.00 C ATOM 1233 O ARG A 84 66.589 -8.992 3.709 1.00 0.00 O ATOM 1234 CB ARG A 84 65.946 -7.485 0.860 1.00 0.00 C ATOM 1235 CG ARG A 84 64.932 -7.374 -0.282 1.00 0.00 C ATOM 1236 CD ARG A 84 64.864 -8.704 -1.039 1.00 0.00 C ATOM 1237 NE ARG A 84 63.449 -9.146 -0.914 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.079 -10.303 -1.397 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.364 -11.401 -0.752 1.00 0.00 N ATOM 1240 NH2 ARG A 84 62.426 -10.359 -2.525 1.00 0.00 N ATOM 0 H ARG A 84 64.143 -6.035 1.556 1.00 0.00 H new ATOM 0 HA ARG A 84 64.658 -8.719 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.512 -6.558 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.664 -8.277 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.949 -7.119 0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.220 -6.572 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.147 -8.578 -2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 84 65.546 -9.438 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 84 62.767 -8.546 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 84 63.876 -11.357 0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.075 -12.304 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 84 62.205 -9.500 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 84 62.137 -11.261 -2.903 1.00 0.00 H new ATOM 1254 N GLN A 85 66.589 -6.805 3.908 1.00 0.00 N ATOM 1255 CA GLN A 85 67.538 -6.865 5.055 1.00 0.00 C ATOM 1256 C GLN A 85 66.761 -7.080 6.356 1.00 0.00 C ATOM 1257 O GLN A 85 67.170 -7.834 7.217 1.00 0.00 O ATOM 1258 CB GLN A 85 68.244 -5.509 5.069 1.00 0.00 C ATOM 1259 CG GLN A 85 69.200 -5.448 6.261 1.00 0.00 C ATOM 1260 CD GLN A 85 70.316 -6.477 6.073 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.131 -6.360 5.062 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.448 -7.397 6.857 1.00 0.00 N flip ATOM 0 H GLN A 85 66.294 -5.867 3.636 1.00 0.00 H new ATOM 0 HA GLN A 85 68.250 -7.685 4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.794 -5.363 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.511 -4.705 5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.624 -4.448 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.659 -5.648 7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.810 -7.489 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.196 -8.077 6.724 1.00 0.00 H new ATOM 1271 N MET A 86 65.637 -6.432 6.500 1.00 0.00 N ATOM 1272 CA MET A 86 64.831 -6.609 7.742 1.00 0.00 C ATOM 1273 C MET A 86 64.215 -8.007 7.763 1.00 0.00 C ATOM 1274 O MET A 86 63.999 -8.585 8.809 1.00 0.00 O ATOM 1275 CB MET A 86 63.739 -5.544 7.673 1.00 0.00 C ATOM 1276 CG MET A 86 63.984 -4.495 8.757 1.00 0.00 C ATOM 1277 SD MET A 86 62.410 -3.739 9.235 1.00 0.00 S ATOM 1278 CE MET A 86 62.148 -4.692 10.750 1.00 0.00 C ATOM 0 H MET A 86 65.243 -5.789 5.813 1.00 0.00 H new ATOM 0 HA MET A 86 65.434 -6.506 8.644 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.736 -5.073 6.690 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.760 -6.002 7.810 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.456 -4.957 9.624 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.670 -3.731 8.390 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.095 -4.959 10.834 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.751 -5.600 10.718 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.441 -4.093 11.612 1.00 0.00 H new ATOM 1288 N LYS A 87 63.937 -8.562 6.615 1.00 0.00 N ATOM 1289 CA LYS A 87 63.346 -9.927 6.581 1.00 0.00 C ATOM 1290 C LYS A 87 64.164 -10.849 7.485 1.00 0.00 C ATOM 1291 O LYS A 87 63.674 -11.833 8.001 1.00 0.00 O ATOM 1292 CB LYS A 87 63.444 -10.369 5.120 1.00 0.00 C ATOM 1293 CG LYS A 87 62.327 -9.708 4.310 1.00 0.00 C ATOM 1294 CD LYS A 87 61.024 -10.482 4.512 1.00 0.00 C ATOM 1295 CE LYS A 87 60.897 -11.558 3.430 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.446 -11.598 3.096 1.00 0.00 N ATOM 0 H LYS A 87 64.093 -8.131 5.704 1.00 0.00 H new ATOM 0 HA LYS A 87 62.315 -9.953 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.416 -10.094 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.364 -11.454 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.200 -8.672 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.592 -9.690 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.011 -10.942 5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.173 -9.802 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.497 -11.310 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 87 61.246 -12.525 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.279 -12.313 2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 58.901 -11.843 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.144 -10.666 2.748 1.00 0.00 H new ATOM 1310 N GLU A 88 65.409 -10.519 7.693 1.00 0.00 N ATOM 1311 CA GLU A 88 66.270 -11.351 8.577 1.00 0.00 C ATOM 1312 C GLU A 88 66.335 -10.717 9.967 1.00 0.00 C ATOM 1313 O GLU A 88 66.329 -11.399 10.974 1.00 0.00 O ATOM 1314 CB GLU A 88 67.649 -11.341 7.915 1.00 0.00 C ATOM 1315 CG GLU A 88 68.142 -12.779 7.738 1.00 0.00 C ATOM 1316 CD GLU A 88 69.339 -12.794 6.785 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.150 -12.472 5.624 1.00 0.00 O ATOM 1318 OE2 GLU A 88 70.423 -13.128 7.233 1.00 0.00 O ATOM 0 H GLU A 88 65.868 -9.704 7.286 1.00 0.00 H new ATOM 0 HA GLU A 88 65.892 -12.366 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.596 -10.842 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.353 -10.777 8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.426 -13.199 8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.341 -13.403 7.343 1.00 0.00 H new ATOM 1325 N ASP A 89 66.391 -9.412 10.028 1.00 0.00 N ATOM 1326 CA ASP A 89 66.449 -8.729 11.352 1.00 0.00 C ATOM 1327 C ASP A 89 65.070 -8.755 12.016 1.00 0.00 C ATOM 1328 O ASP A 89 64.952 -8.803 13.224 1.00 0.00 O ATOM 1329 CB ASP A 89 66.865 -7.292 11.037 1.00 0.00 C ATOM 1330 CG ASP A 89 67.839 -6.797 12.108 1.00 0.00 C ATOM 1331 OD1 ASP A 89 69.021 -7.064 11.973 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.385 -6.162 13.045 1.00 0.00 O ATOM 0 H ASP A 89 66.399 -8.791 9.219 1.00 0.00 H new ATOM 0 HA ASP A 89 67.144 -9.213 12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.334 -7.245 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.987 -6.647 11.003 1.00 0.00 H new ATOM 1337 N ALA A 90 64.026 -8.724 11.233 1.00 0.00 N ATOM 1338 CA ALA A 90 62.655 -8.747 11.817 1.00 0.00 C ATOM 1339 C ALA A 90 62.405 -10.078 12.532 1.00 0.00 C ATOM 1340 O ALA A 90 63.267 -10.492 13.289 1.00 0.00 O ATOM 1341 CB ALA A 90 61.714 -8.596 10.621 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.358 -10.661 12.307 1.00 0.00 O ATOM 0 H ALA A 90 64.063 -8.684 10.214 1.00 0.00 H new ATOM 0 HA ALA A 90 62.507 -7.959 12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.681 -8.604 10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.919 -7.654 10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.870 -9.423 9.928 1.00 0.00 H new