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 161:sc= -0.959 (180deg=-1.53!) USER MOD Set 1.2: A 85 GLN : amide:sc= -2.06 K(o=-3,f=-6.1!) USER MOD Set 2.1: A 3 MET CE :methyl -175:sc= -0.687 (180deg=-0.709) USER MOD Set 2.2: A 81 MET CE :methyl 175:sc= -3.09 (180deg=-3.34) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.18) USER MOD Single : A 7 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 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 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 -162:sc= -0.175 (180deg=-0.79) USER MOD Single : A 51 GLN : amide:sc= -10.7! C(o=-11!,f=-14!) USER MOD Single : A 52 ASN : amide:sc= -0.839 K(o=-0.84,f=-1.3) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -37:sc= 0.0115 USER MOD Single : A 82 MET CE :methyl 141:sc= -11.2! (180deg=-14.7!) USER MOD Single : A 86 MET CE :methyl -114:sc= -1.45 (180deg=-6.53!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.399 -6.523 -10.574 1.00 0.00 N ATOM 25 CA MET A 3 64.148 -5.542 -9.481 1.00 0.00 C ATOM 26 C MET A 3 62.808 -4.833 -9.702 1.00 0.00 C ATOM 27 O MET A 3 62.042 -4.633 -8.782 1.00 0.00 O ATOM 28 CB MET A 3 65.304 -4.547 -9.569 1.00 0.00 C ATOM 29 CG MET A 3 66.465 -5.035 -8.700 1.00 0.00 C ATOM 30 SD MET A 3 67.118 -3.651 -7.733 1.00 0.00 S ATOM 31 CE MET A 3 68.156 -4.625 -6.615 1.00 0.00 C ATOM 0 HA MET A 3 64.095 -6.019 -8.502 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.630 -4.442 -10.604 1.00 0.00 H new ATOM 0 HB3 MET A 3 64.976 -3.562 -9.237 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.127 -5.830 -8.035 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.250 -5.457 -9.327 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.594 -3.970 -5.862 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.549 -5.386 -6.125 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.951 -5.106 -7.184 1.00 0.00 H new ATOM 41 N THR A 4 62.521 -4.452 -10.918 1.00 0.00 N ATOM 42 CA THR A 4 61.231 -3.758 -11.195 1.00 0.00 C ATOM 43 C THR A 4 60.064 -4.562 -10.617 1.00 0.00 C ATOM 44 O THR A 4 58.996 -4.037 -10.371 1.00 0.00 O ATOM 45 CB THR A 4 61.134 -3.692 -12.720 1.00 0.00 C ATOM 46 OG1 THR A 4 59.996 -2.924 -13.087 1.00 0.00 O ATOM 47 CG2 THR A 4 61.001 -5.106 -13.288 1.00 0.00 C ATOM 0 H THR A 4 63.123 -4.591 -11.730 1.00 0.00 H new ATOM 0 HA THR A 4 61.190 -2.768 -10.742 1.00 0.00 H new ATOM 0 HB THR A 4 62.034 -3.226 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.933 -2.879 -14.064 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.932 -5.057 -14.375 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.874 -5.695 -13.006 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.102 -5.576 -12.888 1.00 0.00 H new ATOM 55 N ASP A 5 60.258 -5.834 -10.400 1.00 0.00 N ATOM 56 CA ASP A 5 59.160 -6.673 -9.839 1.00 0.00 C ATOM 57 C ASP A 5 59.216 -6.660 -8.309 1.00 0.00 C ATOM 58 O ASP A 5 58.207 -6.545 -7.642 1.00 0.00 O ATOM 59 CB ASP A 5 59.423 -8.081 -10.372 1.00 0.00 C ATOM 60 CG ASP A 5 58.114 -8.873 -10.394 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.337 -8.721 -9.466 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.911 -9.618 -11.339 1.00 0.00 O ATOM 0 H ASP A 5 61.130 -6.329 -10.587 1.00 0.00 H new ATOM 0 HA ASP A 5 58.174 -6.307 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.845 -8.028 -11.376 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.156 -8.588 -9.744 1.00 0.00 H new ATOM 67 N GLN A 6 60.389 -6.778 -7.749 1.00 0.00 N ATOM 68 CA GLN A 6 60.510 -6.773 -6.263 1.00 0.00 C ATOM 69 C GLN A 6 60.477 -5.336 -5.734 1.00 0.00 C ATOM 70 O GLN A 6 60.521 -5.101 -4.543 1.00 0.00 O ATOM 71 CB GLN A 6 61.866 -7.419 -5.974 1.00 0.00 C ATOM 72 CG GLN A 6 61.683 -8.926 -5.780 1.00 0.00 C ATOM 73 CD GLN A 6 61.519 -9.600 -7.143 1.00 0.00 C ATOM 74 OE1 GLN A 6 62.476 -9.751 -7.878 1.00 0.00 O ATOM 75 NE2 GLN A 6 60.340 -10.015 -7.515 1.00 0.00 N ATOM 0 H GLN A 6 61.269 -6.878 -8.256 1.00 0.00 H new ATOM 0 HA GLN A 6 59.692 -7.308 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.554 -7.229 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.308 -6.978 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.544 -9.343 -5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 6 60.808 -9.120 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 6 59.537 -9.889 -6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 6 60.221 -10.466 -8.422 1.00 0.00 H new ATOM 84 N GLN A 7 60.399 -4.372 -6.612 1.00 0.00 N ATOM 85 CA GLN A 7 60.363 -2.953 -6.158 1.00 0.00 C ATOM 86 C GLN A 7 58.957 -2.588 -5.675 1.00 0.00 C ATOM 87 O GLN A 7 58.775 -1.674 -4.895 1.00 0.00 O ATOM 88 CB GLN A 7 60.735 -2.134 -7.394 1.00 0.00 C ATOM 89 CG GLN A 7 60.951 -0.674 -6.993 1.00 0.00 C ATOM 90 CD GLN A 7 60.190 0.239 -7.955 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.192 0.829 -7.592 1.00 0.00 O ATOM 92 NE2 GLN A 7 60.623 0.381 -9.179 1.00 0.00 N ATOM 0 H GLN A 7 60.359 -4.506 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 7 61.042 -2.767 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.640 -2.535 -7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.944 -2.204 -8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.606 -0.512 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.014 -0.434 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.461 -0.114 -9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 7 60.123 0.987 -9.830 1.00 0.00 H new ATOM 101 N ALA A 8 57.962 -3.296 -6.132 1.00 0.00 N ATOM 102 CA ALA A 8 56.568 -2.992 -5.701 1.00 0.00 C ATOM 103 C ALA A 8 56.252 -3.720 -4.392 1.00 0.00 C ATOM 104 O ALA A 8 55.692 -3.154 -3.475 1.00 0.00 O ATOM 105 CB ALA A 8 55.680 -3.511 -6.833 1.00 0.00 C ATOM 0 H ALA A 8 58.054 -4.073 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 8 56.413 -1.928 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.634 -3.324 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.935 -2.997 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.837 -4.582 -6.957 1.00 0.00 H new ATOM 111 N GLU A 9 56.609 -4.971 -4.299 1.00 0.00 N ATOM 112 CA GLU A 9 56.332 -5.733 -3.048 1.00 0.00 C ATOM 113 C GLU A 9 57.436 -5.476 -2.019 1.00 0.00 C ATOM 114 O GLU A 9 57.409 -5.998 -0.922 1.00 0.00 O ATOM 115 CB GLU A 9 56.321 -7.201 -3.472 1.00 0.00 C ATOM 116 CG GLU A 9 54.907 -7.764 -3.326 1.00 0.00 C ATOM 117 CD GLU A 9 54.777 -8.479 -1.979 1.00 0.00 C ATOM 118 OE1 GLU A 9 55.801 -8.808 -1.405 1.00 0.00 O ATOM 119 OE2 GLU A 9 53.655 -8.684 -1.546 1.00 0.00 O ATOM 0 H GLU A 9 57.080 -5.499 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 9 55.391 -5.438 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.656 -7.295 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.017 -7.773 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 9 54.175 -6.959 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.695 -8.458 -4.140 1.00 0.00 H new ATOM 126 N ALA A 10 58.407 -4.674 -2.364 1.00 0.00 N ATOM 127 CA ALA A 10 59.510 -4.385 -1.403 1.00 0.00 C ATOM 128 C ALA A 10 59.057 -3.340 -0.379 1.00 0.00 C ATOM 129 O ALA A 10 59.482 -3.348 0.759 1.00 0.00 O ATOM 130 CB ALA A 10 60.653 -3.839 -2.259 1.00 0.00 C ATOM 0 H ALA A 10 58.484 -4.207 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 10 59.811 -5.270 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.504 -3.602 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.948 -4.588 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.323 -2.937 -2.774 1.00 0.00 H new ATOM 136 N ARG A 11 58.189 -2.445 -0.771 1.00 0.00 N ATOM 137 CA ARG A 11 57.706 -1.407 0.192 1.00 0.00 C ATOM 138 C ARG A 11 56.294 -1.758 0.668 1.00 0.00 C ATOM 139 O ARG A 11 55.857 -1.321 1.714 1.00 0.00 O ATOM 140 CB ARG A 11 57.701 -0.049 -0.543 1.00 0.00 C ATOM 141 CG ARG A 11 57.985 -0.205 -2.045 1.00 0.00 C ATOM 142 CD ARG A 11 56.723 -0.703 -2.754 1.00 0.00 C ATOM 143 NE ARG A 11 55.780 0.450 -2.711 1.00 0.00 N ATOM 144 CZ ARG A 11 54.773 0.502 -3.540 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.921 0.096 -4.771 1.00 0.00 N ATOM 146 NH2 ARG A 11 53.620 0.963 -3.139 1.00 0.00 N ATOM 0 H ARG A 11 57.795 -2.386 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 11 58.357 -1.360 1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.734 0.434 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.450 0.606 -0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.300 0.749 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.804 -0.908 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 11 56.938 -1.000 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.305 -1.575 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 11 55.921 1.199 -2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.823 -0.262 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.135 0.136 -5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 11 53.505 1.283 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 11 52.834 1.003 -3.787 1.00 0.00 H new ATOM 160 N ALA A 12 55.578 -2.544 -0.088 1.00 0.00 N ATOM 161 CA ALA A 12 54.198 -2.921 0.328 1.00 0.00 C ATOM 162 C ALA A 12 54.248 -3.745 1.618 1.00 0.00 C ATOM 163 O ALA A 12 53.359 -3.679 2.445 1.00 0.00 O ATOM 164 CB ALA A 12 53.653 -3.763 -0.826 1.00 0.00 C ATOM 0 H ALA A 12 55.889 -2.941 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 12 53.571 -2.052 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.636 -4.081 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.649 -3.169 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.284 -4.640 -0.966 1.00 0.00 H new ATOM 170 N PHE A 13 55.283 -4.519 1.794 1.00 0.00 N ATOM 171 CA PHE A 13 55.398 -5.347 3.029 1.00 0.00 C ATOM 172 C PHE A 13 55.095 -4.493 4.265 1.00 0.00 C ATOM 173 O PHE A 13 54.558 -4.971 5.245 1.00 0.00 O ATOM 174 CB PHE A 13 56.853 -5.828 3.041 1.00 0.00 C ATOM 175 CG PHE A 13 57.247 -6.248 4.438 1.00 0.00 C ATOM 176 CD1 PHE A 13 56.452 -7.157 5.147 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.405 -5.724 5.024 1.00 0.00 C ATOM 178 CE1 PHE A 13 56.818 -7.543 6.442 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.770 -6.110 6.319 1.00 0.00 C ATOM 180 CZ PHE A 13 57.977 -7.019 7.028 1.00 0.00 C ATOM 0 H PHE A 13 56.056 -4.614 1.135 1.00 0.00 H new ATOM 0 HA PHE A 13 54.695 -6.180 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 13 56.974 -6.665 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.511 -5.032 2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 13 55.558 -7.560 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.017 -5.022 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 13 56.206 -8.245 6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.664 -5.706 6.771 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.259 -7.317 8.027 1.00 0.00 H new ATOM 190 N LEU A 14 55.435 -3.233 4.227 1.00 0.00 N ATOM 191 CA LEU A 14 55.166 -2.353 5.399 1.00 0.00 C ATOM 192 C LEU A 14 54.040 -1.368 5.073 1.00 0.00 C ATOM 193 O LEU A 14 53.704 -1.151 3.925 1.00 0.00 O ATOM 194 CB LEU A 14 56.479 -1.610 5.645 1.00 0.00 C ATOM 195 CG LEU A 14 57.626 -2.620 5.726 1.00 0.00 C ATOM 196 CD1 LEU A 14 58.962 -1.891 5.575 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.585 -3.330 7.080 1.00 0.00 C ATOM 0 H LEU A 14 55.887 -2.776 3.435 1.00 0.00 H new ATOM 0 HA LEU A 14 54.848 -2.917 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.663 -0.898 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.418 -1.037 6.570 1.00 0.00 H new ATOM 0 HG LEU A 14 57.520 -3.353 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 14 59.778 -2.611 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.993 -1.384 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.068 -1.157 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.402 -4.050 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 57.690 -2.596 7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 14 56.634 -3.851 7.189 1.00 0.00 H new ATOM 209 N SER A 15 53.454 -0.770 6.074 1.00 0.00 N ATOM 210 CA SER A 15 52.350 0.199 5.820 1.00 0.00 C ATOM 211 C SER A 15 52.921 1.583 5.501 1.00 0.00 C ATOM 212 O SER A 15 54.076 1.862 5.755 1.00 0.00 O ATOM 213 CB SER A 15 51.553 0.238 7.123 1.00 0.00 C ATOM 214 OG SER A 15 51.363 -1.089 7.597 1.00 0.00 O ATOM 0 H SER A 15 53.692 -0.910 7.056 1.00 0.00 H new ATOM 0 HA SER A 15 51.733 -0.093 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.082 0.831 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.589 0.719 6.959 1.00 0.00 H new ATOM 0 HG SER A 15 50.853 -1.068 8.434 1.00 0.00 H new ATOM 220 N GLU A 16 52.122 2.453 4.947 1.00 0.00 N ATOM 221 CA GLU A 16 52.621 3.818 4.615 1.00 0.00 C ATOM 222 C GLU A 16 53.293 4.444 5.839 1.00 0.00 C ATOM 223 O GLU A 16 54.101 5.344 5.724 1.00 0.00 O ATOM 224 CB GLU A 16 51.373 4.612 4.223 1.00 0.00 C ATOM 225 CG GLU A 16 51.699 6.107 4.223 1.00 0.00 C ATOM 226 CD GLU A 16 50.606 6.868 3.470 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.576 7.130 4.067 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.818 7.176 2.308 1.00 0.00 O ATOM 0 H GLU A 16 51.145 2.278 4.710 1.00 0.00 H new ATOM 0 HA GLU A 16 53.362 3.805 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.028 4.304 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.563 4.405 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.773 6.474 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.667 6.279 3.752 1.00 0.00 H new ATOM 235 N GLU A 17 52.967 3.973 7.012 1.00 0.00 N ATOM 236 CA GLU A 17 53.588 4.540 8.243 1.00 0.00 C ATOM 237 C GLU A 17 55.092 4.257 8.253 1.00 0.00 C ATOM 238 O GLU A 17 55.898 5.142 8.460 1.00 0.00 O ATOM 239 CB GLU A 17 52.899 3.821 9.402 1.00 0.00 C ATOM 240 CG GLU A 17 51.440 4.272 9.489 1.00 0.00 C ATOM 241 CD GLU A 17 50.864 3.874 10.849 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.593 3.287 11.631 1.00 0.00 O ATOM 243 OE2 GLU A 17 49.703 4.165 11.085 1.00 0.00 O ATOM 0 H GLU A 17 52.297 3.220 7.171 1.00 0.00 H new ATOM 0 HA GLU A 17 53.468 5.621 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.949 2.742 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.414 4.040 10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.373 5.352 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.859 3.815 8.688 1.00 0.00 H new ATOM 250 N MET A 18 55.476 3.030 8.030 1.00 0.00 N ATOM 251 CA MET A 18 56.928 2.695 8.026 1.00 0.00 C ATOM 252 C MET A 18 57.652 3.508 6.951 1.00 0.00 C ATOM 253 O MET A 18 58.674 4.116 7.202 1.00 0.00 O ATOM 254 CB MET A 18 56.991 1.202 7.703 1.00 0.00 C ATOM 255 CG MET A 18 58.109 0.550 8.519 1.00 0.00 C ATOM 256 SD MET A 18 57.418 -0.774 9.541 1.00 0.00 S ATOM 257 CE MET A 18 57.478 0.105 11.121 1.00 0.00 C ATOM 0 H MET A 18 54.848 2.246 7.851 1.00 0.00 H new ATOM 0 HA MET A 18 57.408 2.925 8.977 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.036 0.729 7.932 1.00 0.00 H new ATOM 0 HB3 MET A 18 57.172 1.057 6.638 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.873 0.149 7.853 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.595 1.295 9.150 1.00 0.00 H new ATOM 0 HE1 MET A 18 57.090 -0.539 11.910 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.509 0.376 11.348 1.00 0.00 H new ATOM 0 HE3 MET A 18 56.871 1.008 11.058 1.00 0.00 H new ATOM 267 N ILE A 19 57.127 3.528 5.756 1.00 0.00 N ATOM 268 CA ILE A 19 57.787 4.309 4.671 1.00 0.00 C ATOM 269 C ILE A 19 58.215 5.677 5.210 1.00 0.00 C ATOM 270 O ILE A 19 59.301 6.149 4.940 1.00 0.00 O ATOM 271 CB ILE A 19 56.719 4.453 3.581 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.706 3.187 2.718 1.00 0.00 C ATOM 273 CG2 ILE A 19 57.033 5.662 2.695 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.330 2.523 2.802 1.00 0.00 C ATOM 0 H ILE A 19 56.274 3.040 5.485 1.00 0.00 H new ATOM 0 HA ILE A 19 58.685 3.825 4.286 1.00 0.00 H new ATOM 0 HB ILE A 19 55.746 4.595 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.937 3.438 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 19 57.476 2.495 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.269 5.756 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 19 57.047 6.566 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 19 58.007 5.526 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.322 1.623 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 19 55.117 2.258 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.569 3.215 2.441 1.00 0.00 H new ATOM 286 N ALA A 20 57.371 6.311 5.977 1.00 0.00 N ATOM 287 CA ALA A 20 57.733 7.643 6.539 1.00 0.00 C ATOM 288 C ALA A 20 58.891 7.490 7.528 1.00 0.00 C ATOM 289 O ALA A 20 59.742 8.349 7.641 1.00 0.00 O ATOM 290 CB ALA A 20 56.472 8.127 7.256 1.00 0.00 C ATOM 0 H ALA A 20 56.448 5.965 6.239 1.00 0.00 H new ATOM 0 HA ALA A 20 58.056 8.347 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.658 9.106 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.653 8.202 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.205 7.419 8.041 1.00 0.00 H new ATOM 296 N GLU A 21 58.931 6.397 8.240 1.00 0.00 N ATOM 297 CA GLU A 21 60.036 6.182 9.216 1.00 0.00 C ATOM 298 C GLU A 21 61.356 5.973 8.470 1.00 0.00 C ATOM 299 O GLU A 21 62.354 6.602 8.766 1.00 0.00 O ATOM 300 CB GLU A 21 59.645 4.918 9.985 1.00 0.00 C ATOM 301 CG GLU A 21 60.843 4.422 10.797 1.00 0.00 C ATOM 302 CD GLU A 21 60.347 3.606 11.992 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.316 2.966 11.859 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.005 3.634 13.018 1.00 0.00 O ATOM 0 H GLU A 21 58.246 5.643 8.188 1.00 0.00 H new ATOM 0 HA GLU A 21 60.176 7.033 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.805 5.128 10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.318 4.144 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.493 3.811 10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.437 5.268 11.142 1.00 0.00 H new ATOM 311 N PHE A 22 61.368 5.098 7.503 1.00 0.00 N ATOM 312 CA PHE A 22 62.622 4.853 6.733 1.00 0.00 C ATOM 313 C PHE A 22 62.926 6.054 5.834 1.00 0.00 C ATOM 314 O PHE A 22 64.051 6.505 5.742 1.00 0.00 O ATOM 315 CB PHE A 22 62.335 3.610 5.887 1.00 0.00 C ATOM 316 CG PHE A 22 61.948 2.450 6.780 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.088 2.548 8.172 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.450 1.272 6.211 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.728 1.470 8.990 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.091 0.195 7.030 1.00 0.00 C ATOM 321 CZ PHE A 22 61.230 0.294 8.419 1.00 0.00 C ATOM 0 H PHE A 22 60.564 4.542 7.212 1.00 0.00 H new ATOM 0 HA PHE A 22 63.486 4.711 7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.532 3.819 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.216 3.349 5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.474 3.455 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.343 1.194 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.835 1.546 10.062 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.706 -0.713 6.590 1.00 0.00 H new ATOM 0 HZ PHE A 22 60.953 -0.537 9.050 1.00 0.00 H new ATOM 331 N LYS A 23 61.930 6.575 5.172 1.00 0.00 N ATOM 332 CA LYS A 23 62.160 7.748 4.282 1.00 0.00 C ATOM 333 C LYS A 23 62.757 8.902 5.091 1.00 0.00 C ATOM 334 O LYS A 23 63.702 9.541 4.674 1.00 0.00 O ATOM 335 CB LYS A 23 60.775 8.114 3.750 1.00 0.00 C ATOM 336 CG LYS A 23 60.797 9.532 3.179 1.00 0.00 C ATOM 337 CD LYS A 23 59.858 10.419 3.997 1.00 0.00 C ATOM 338 CE LYS A 23 59.304 11.534 3.107 1.00 0.00 C ATOM 339 NZ LYS A 23 59.304 12.749 3.969 1.00 0.00 N ATOM 0 H LYS A 23 60.967 6.240 5.209 1.00 0.00 H new ATOM 0 HA LYS A 23 62.858 7.533 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 23 60.473 7.406 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.038 8.046 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 23 61.810 9.932 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.487 9.521 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 23 59.040 9.824 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.392 10.848 4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.924 11.678 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.299 11.298 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.937 13.558 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.701 12.585 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 60.275 12.953 4.281 1.00 0.00 H new ATOM 353 N ALA A 24 62.216 9.169 6.248 1.00 0.00 N ATOM 354 CA ALA A 24 62.760 10.277 7.083 1.00 0.00 C ATOM 355 C ALA A 24 64.242 10.029 7.370 1.00 0.00 C ATOM 356 O ALA A 24 65.058 10.927 7.303 1.00 0.00 O ATOM 357 CB ALA A 24 61.947 10.235 8.377 1.00 0.00 C ATOM 0 H ALA A 24 61.423 8.669 6.650 1.00 0.00 H new ATOM 0 HA ALA A 24 62.685 11.247 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.289 11.024 9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.892 10.385 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.080 9.266 8.859 1.00 0.00 H new ATOM 363 N ALA A 25 64.596 8.812 7.682 1.00 0.00 N ATOM 364 CA ALA A 25 66.025 8.500 7.965 1.00 0.00 C ATOM 365 C ALA A 25 66.793 8.339 6.652 1.00 0.00 C ATOM 366 O ALA A 25 67.977 8.608 6.573 1.00 0.00 O ATOM 367 CB ALA A 25 65.997 7.180 8.736 1.00 0.00 C ATOM 0 H ALA A 25 63.957 8.020 7.753 1.00 0.00 H new ATOM 0 HA ALA A 25 66.519 9.290 8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 25 67.016 6.881 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.424 7.307 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.531 6.409 8.121 1.00 0.00 H new ATOM 373 N PHE A 26 66.127 7.903 5.618 1.00 0.00 N ATOM 374 CA PHE A 26 66.813 7.725 4.307 1.00 0.00 C ATOM 375 C PHE A 26 67.183 9.089 3.717 1.00 0.00 C ATOM 376 O PHE A 26 68.252 9.271 3.170 1.00 0.00 O ATOM 377 CB PHE A 26 65.790 7.016 3.418 1.00 0.00 C ATOM 378 CG PHE A 26 66.323 6.925 2.010 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.400 8.075 1.214 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.745 5.692 1.499 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.896 7.991 -0.091 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.242 5.608 0.193 1.00 0.00 C ATOM 383 CZ PHE A 26 67.318 6.758 -0.602 1.00 0.00 C ATOM 0 H PHE A 26 65.136 7.662 5.625 1.00 0.00 H new ATOM 0 HA PHE A 26 67.738 7.155 4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.585 6.018 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.846 7.561 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.076 9.027 1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.687 4.805 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.953 8.878 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.567 4.656 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.702 6.694 -1.609 1.00 0.00 H new ATOM 393 N ASP A 27 66.306 10.049 3.826 1.00 0.00 N ATOM 394 CA ASP A 27 66.607 11.401 3.274 1.00 0.00 C ATOM 395 C ASP A 27 67.788 12.025 4.021 1.00 0.00 C ATOM 396 O ASP A 27 68.320 13.042 3.622 1.00 0.00 O ATOM 397 CB ASP A 27 65.334 12.215 3.503 1.00 0.00 C ATOM 398 CG ASP A 27 65.152 13.213 2.357 1.00 0.00 C ATOM 399 OD1 ASP A 27 66.089 13.386 1.595 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.080 13.787 2.261 1.00 0.00 O ATOM 0 H ASP A 27 65.394 9.956 4.273 1.00 0.00 H new ATOM 0 HA ASP A 27 66.882 11.366 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.471 11.551 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.394 12.744 4.454 1.00 0.00 H new ATOM 405 N MET A 28 68.201 11.424 5.103 1.00 0.00 N ATOM 406 CA MET A 28 69.348 11.984 5.875 1.00 0.00 C ATOM 407 C MET A 28 70.587 12.085 4.982 1.00 0.00 C ATOM 408 O MET A 28 71.523 12.800 5.281 1.00 0.00 O ATOM 409 CB MET A 28 69.588 10.986 7.009 1.00 0.00 C ATOM 410 CG MET A 28 68.489 11.136 8.062 1.00 0.00 C ATOM 411 SD MET A 28 68.929 12.464 9.211 1.00 0.00 S ATOM 412 CE MET A 28 68.613 11.554 10.742 1.00 0.00 C ATOM 0 H MET A 28 67.795 10.570 5.486 1.00 0.00 H new ATOM 0 HA MET A 28 69.142 12.987 6.250 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.595 9.969 6.617 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.565 11.160 7.460 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.537 11.359 7.580 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.360 10.199 8.604 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.824 12.196 11.597 1.00 0.00 H new ATOM 0 HE2 MET A 28 67.569 11.242 10.771 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.256 10.674 10.782 1.00 0.00 H new ATOM 422 N PHE A 29 70.602 11.372 3.889 1.00 0.00 N ATOM 423 CA PHE A 29 71.787 11.425 2.981 1.00 0.00 C ATOM 424 C PHE A 29 71.349 11.798 1.562 1.00 0.00 C ATOM 425 O PHE A 29 71.809 11.230 0.592 1.00 0.00 O ATOM 426 CB PHE A 29 72.383 10.013 3.000 1.00 0.00 C ATOM 427 CG PHE A 29 72.261 9.419 4.385 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.090 8.744 4.753 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.312 9.547 5.300 1.00 0.00 C ATOM 430 CE1 PHE A 29 70.972 8.198 6.036 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.193 9.002 6.583 1.00 0.00 C ATOM 432 CZ PHE A 29 72.022 8.327 6.951 1.00 0.00 C ATOM 0 H PHE A 29 69.848 10.756 3.585 1.00 0.00 H new ATOM 0 HA PHE A 29 72.511 12.173 3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.866 9.381 2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.431 10.047 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.279 8.645 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.215 10.067 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.070 7.677 6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.004 9.102 7.290 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.930 7.906 7.941 1.00 0.00 H new ATOM 442 N ASP A 30 70.465 12.748 1.434 1.00 0.00 N ATOM 443 CA ASP A 30 70.000 13.154 0.076 1.00 0.00 C ATOM 444 C ASP A 30 71.141 13.824 -0.694 1.00 0.00 C ATOM 445 O ASP A 30 71.170 15.027 -0.857 1.00 0.00 O ATOM 446 CB ASP A 30 68.865 14.147 0.329 1.00 0.00 C ATOM 447 CG ASP A 30 69.416 15.377 1.053 1.00 0.00 C ATOM 448 OD1 ASP A 30 70.589 15.367 1.388 1.00 0.00 O ATOM 449 OD2 ASP A 30 68.656 16.308 1.259 1.00 0.00 O ATOM 0 H ASP A 30 70.044 13.261 2.209 1.00 0.00 H new ATOM 0 HA ASP A 30 69.672 12.304 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.408 14.442 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.084 13.678 0.928 1.00 0.00 H new ATOM 490 N GLY A 35 64.878 11.982 -3.400 1.00 0.00 N ATOM 491 CA GLY A 35 64.505 10.633 -2.886 1.00 0.00 C ATOM 492 C GLY A 35 65.597 9.627 -3.250 1.00 0.00 C ATOM 493 O GLY A 35 65.324 8.553 -3.748 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.374 10.668 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.552 10.321 -3.312 1.00 0.00 H new ATOM 497 N ASP A 36 66.835 9.962 -3.003 1.00 0.00 N ATOM 498 CA ASP A 36 67.943 9.020 -3.336 1.00 0.00 C ATOM 499 C ASP A 36 69.256 9.509 -2.716 1.00 0.00 C ATOM 500 O ASP A 36 69.541 10.690 -2.697 1.00 0.00 O ATOM 501 CB ASP A 36 68.031 9.035 -4.862 1.00 0.00 C ATOM 502 CG ASP A 36 68.193 10.474 -5.351 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.223 11.063 -5.071 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.282 10.965 -6.000 1.00 0.00 O ATOM 0 H ASP A 36 67.127 10.846 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 36 67.763 8.017 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.875 8.430 -5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.133 8.593 -5.293 1.00 0.00 H new ATOM 509 N ILE A 37 70.056 8.610 -2.211 1.00 0.00 N ATOM 510 CA ILE A 37 71.349 9.025 -1.593 1.00 0.00 C ATOM 511 C ILE A 37 72.520 8.351 -2.314 1.00 0.00 C ATOM 512 O ILE A 37 72.333 7.504 -3.166 1.00 0.00 O ATOM 513 CB ILE A 37 71.268 8.547 -0.144 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.217 7.018 -0.113 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.005 9.109 0.511 1.00 0.00 C ATOM 516 CD1 ILE A 37 70.997 6.541 1.323 1.00 0.00 C ATOM 0 H ILE A 37 69.871 7.607 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 37 71.511 10.101 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 37 72.146 8.895 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.412 6.658 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.146 6.605 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.948 8.767 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.038 10.198 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.127 8.762 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 37 70.961 5.452 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.817 6.889 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.056 6.942 1.700 1.00 0.00 H new ATOM 528 N SER A 38 73.727 8.719 -1.980 1.00 0.00 N ATOM 529 CA SER A 38 74.907 8.098 -2.646 1.00 0.00 C ATOM 530 C SER A 38 74.856 6.576 -2.500 1.00 0.00 C ATOM 531 O SER A 38 74.725 6.051 -1.411 1.00 0.00 O ATOM 532 CB SER A 38 76.121 8.666 -1.911 1.00 0.00 C ATOM 533 OG SER A 38 76.242 10.052 -2.203 1.00 0.00 O ATOM 0 H SER A 38 73.947 9.423 -1.275 1.00 0.00 H new ATOM 0 HA SER A 38 74.939 8.314 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.012 8.517 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.025 8.138 -2.216 1.00 0.00 H new ATOM 0 HG SER A 38 77.019 10.419 -1.731 1.00 0.00 H new ATOM 539 N THR A 39 74.956 5.861 -3.587 1.00 0.00 N ATOM 540 CA THR A 39 74.911 4.373 -3.508 1.00 0.00 C ATOM 541 C THR A 39 75.827 3.876 -2.385 1.00 0.00 C ATOM 542 O THR A 39 75.615 2.821 -1.821 1.00 0.00 O ATOM 543 CB THR A 39 75.418 3.889 -4.867 1.00 0.00 C ATOM 544 OG1 THR A 39 76.695 4.457 -5.125 1.00 0.00 O ATOM 545 CG2 THR A 39 74.437 4.315 -5.960 1.00 0.00 C ATOM 0 H THR A 39 75.067 6.243 -4.526 1.00 0.00 H new ATOM 0 HA THR A 39 73.910 4.000 -3.290 1.00 0.00 H new ATOM 0 HB THR A 39 75.499 2.802 -4.859 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.022 4.146 -5.995 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.799 3.970 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.459 3.878 -5.761 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.353 5.402 -5.970 1.00 0.00 H new ATOM 553 N LYS A 40 76.841 4.628 -2.057 1.00 0.00 N ATOM 554 CA LYS A 40 77.767 4.196 -0.971 1.00 0.00 C ATOM 555 C LYS A 40 77.130 4.446 0.399 1.00 0.00 C ATOM 556 O LYS A 40 77.706 4.146 1.426 1.00 0.00 O ATOM 557 CB LYS A 40 79.016 5.061 -1.148 1.00 0.00 C ATOM 558 CG LYS A 40 80.021 4.329 -2.040 1.00 0.00 C ATOM 559 CD LYS A 40 81.436 4.554 -1.505 1.00 0.00 C ATOM 560 CE LYS A 40 81.711 6.057 -1.407 1.00 0.00 C ATOM 561 NZ LYS A 40 83.005 6.258 -2.118 1.00 0.00 N ATOM 0 H LYS A 40 77.069 5.522 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 40 77.997 3.132 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.748 6.019 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.464 5.275 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.794 3.263 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.946 4.693 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.544 4.089 -0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.165 4.082 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 40 80.912 6.636 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.777 6.379 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.262 7.266 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.748 5.700 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.910 5.949 -3.106 1.00 0.00 H new ATOM 575 N GLU A 41 75.944 4.991 0.422 1.00 0.00 N ATOM 576 CA GLU A 41 75.271 5.258 1.726 1.00 0.00 C ATOM 577 C GLU A 41 74.315 4.113 2.069 1.00 0.00 C ATOM 578 O GLU A 41 73.854 3.990 3.187 1.00 0.00 O ATOM 579 CB GLU A 41 74.497 6.558 1.511 1.00 0.00 C ATOM 580 CG GLU A 41 74.782 7.518 2.668 1.00 0.00 C ATOM 581 CD GLU A 41 76.167 8.142 2.484 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.059 7.437 2.041 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.312 9.315 2.788 1.00 0.00 O ATOM 0 H GLU A 41 75.412 5.263 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 41 75.980 5.338 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 41 74.788 7.015 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.428 6.352 1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.022 8.298 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.735 6.984 3.617 1.00 0.00 H new ATOM 590 N LEU A 42 74.014 3.274 1.116 1.00 0.00 N ATOM 591 CA LEU A 42 73.088 2.138 1.387 1.00 0.00 C ATOM 592 C LEU A 42 73.447 1.469 2.718 1.00 0.00 C ATOM 593 O LEU A 42 72.586 1.052 3.466 1.00 0.00 O ATOM 594 CB LEU A 42 73.299 1.169 0.225 1.00 0.00 C ATOM 595 CG LEU A 42 71.994 1.017 -0.556 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.913 2.100 -1.633 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.954 -0.363 -1.216 1.00 0.00 C ATOM 0 H LEU A 42 74.369 3.326 0.161 1.00 0.00 H new ATOM 0 HA LEU A 42 72.050 2.461 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.087 1.538 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.625 0.199 0.601 1.00 0.00 H new ATOM 0 HG LEU A 42 71.149 1.120 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.982 1.991 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.942 3.083 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.757 1.999 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.024 -0.473 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.799 -0.465 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.011 -1.135 -0.449 1.00 0.00 H new ATOM 609 N GLY A 43 74.713 1.366 3.018 1.00 0.00 N ATOM 610 CA GLY A 43 75.121 0.727 4.300 1.00 0.00 C ATOM 611 C GLY A 43 74.717 1.629 5.467 1.00 0.00 C ATOM 612 O GLY A 43 74.302 1.165 6.509 1.00 0.00 O ATOM 0 H GLY A 43 75.480 1.696 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.647 -0.250 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.198 0.561 4.310 1.00 0.00 H new ATOM 616 N THR A 44 74.831 2.918 5.296 1.00 0.00 N ATOM 617 CA THR A 44 74.451 3.853 6.393 1.00 0.00 C ATOM 618 C THR A 44 72.926 3.909 6.536 1.00 0.00 C ATOM 619 O THR A 44 72.390 3.777 7.618 1.00 0.00 O ATOM 620 CB THR A 44 75.008 5.213 5.962 1.00 0.00 C ATOM 621 OG1 THR A 44 76.403 5.256 6.229 1.00 0.00 O ATOM 622 CG2 THR A 44 74.304 6.330 6.736 1.00 0.00 C ATOM 0 H THR A 44 75.171 3.364 4.444 1.00 0.00 H new ATOM 0 HA THR A 44 74.845 3.542 7.360 1.00 0.00 H new ATOM 0 HB THR A 44 74.835 5.353 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.762 6.125 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.704 7.295 6.426 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.234 6.297 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.472 6.194 7.804 1.00 0.00 H new ATOM 630 N VAL A 45 72.226 4.104 5.452 1.00 0.00 N ATOM 631 CA VAL A 45 70.737 4.168 5.530 1.00 0.00 C ATOM 632 C VAL A 45 70.172 2.819 5.982 1.00 0.00 C ATOM 633 O VAL A 45 69.101 2.743 6.550 1.00 0.00 O ATOM 634 CB VAL A 45 70.278 4.494 4.108 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.440 3.258 3.222 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.805 4.911 4.133 1.00 0.00 C ATOM 0 H VAL A 45 72.618 4.222 4.518 1.00 0.00 H new ATOM 0 HA VAL A 45 70.393 4.912 6.249 1.00 0.00 H new ATOM 0 HB VAL A 45 70.883 5.308 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.113 3.491 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.488 2.957 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.835 2.443 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.476 5.144 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.203 4.095 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.687 5.792 4.765 1.00 0.00 H new ATOM 646 N MET A 46 70.884 1.754 5.735 1.00 0.00 N ATOM 647 CA MET A 46 70.385 0.411 6.152 1.00 0.00 C ATOM 648 C MET A 46 70.655 0.184 7.643 1.00 0.00 C ATOM 649 O MET A 46 69.802 -0.276 8.375 1.00 0.00 O ATOM 650 CB MET A 46 71.175 -0.587 5.305 1.00 0.00 C ATOM 651 CG MET A 46 70.579 -0.649 3.898 1.00 0.00 C ATOM 652 SD MET A 46 71.684 -1.586 2.814 1.00 0.00 S ATOM 653 CE MET A 46 70.607 -3.021 2.576 1.00 0.00 C ATOM 0 H MET A 46 71.788 1.754 5.263 1.00 0.00 H new ATOM 0 HA MET A 46 69.310 0.307 6.006 1.00 0.00 H new ATOM 0 HB2 MET A 46 72.222 -0.288 5.255 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.147 -1.574 5.767 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.597 -1.120 3.928 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.437 0.359 3.507 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.925 -3.572 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.669 -3.671 3.449 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.578 -2.686 2.445 1.00 0.00 H new ATOM 663 N ARG A 47 71.837 0.503 8.098 1.00 0.00 N ATOM 664 CA ARG A 47 72.159 0.304 9.541 1.00 0.00 C ATOM 665 C ARG A 47 71.591 1.458 10.375 1.00 0.00 C ATOM 666 O ARG A 47 71.426 1.344 11.574 1.00 0.00 O ATOM 667 CB ARG A 47 73.688 0.297 9.609 1.00 0.00 C ATOM 668 CG ARG A 47 74.182 -1.124 9.891 1.00 0.00 C ATOM 669 CD ARG A 47 75.286 -1.080 10.951 1.00 0.00 C ATOM 670 NE ARG A 47 76.475 -0.527 10.246 1.00 0.00 N ATOM 671 CZ ARG A 47 77.665 -0.661 10.767 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.030 0.094 11.767 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.491 -1.549 10.285 1.00 0.00 N ATOM 0 H ARG A 47 72.593 0.892 7.534 1.00 0.00 H new ATOM 0 HA ARG A 47 71.728 -0.616 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.106 0.658 8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.031 0.974 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.356 -1.746 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.561 -1.577 8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.999 -0.451 11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.490 -2.074 11.350 1.00 0.00 H new ATOM 0 HE ARG A 47 76.360 -0.043 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.386 0.790 12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.960 -0.012 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.207 -2.138 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.421 -1.654 10.691 1.00 0.00 H new ATOM 687 N MET A 48 71.293 2.566 9.751 1.00 0.00 N ATOM 688 CA MET A 48 70.737 3.722 10.512 1.00 0.00 C ATOM 689 C MET A 48 69.289 3.445 10.920 1.00 0.00 C ATOM 690 O MET A 48 68.774 4.027 11.854 1.00 0.00 O ATOM 691 CB MET A 48 70.803 4.904 9.543 1.00 0.00 C ATOM 692 CG MET A 48 72.205 5.514 9.573 1.00 0.00 C ATOM 693 SD MET A 48 72.383 6.546 11.050 1.00 0.00 S ATOM 694 CE MET A 48 73.471 7.797 10.326 1.00 0.00 C ATOM 0 H MET A 48 71.410 2.720 8.750 1.00 0.00 H new ATOM 0 HA MET A 48 71.293 3.914 11.430 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.561 4.573 8.533 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.063 5.655 9.819 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.957 4.725 9.575 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.373 6.111 8.677 1.00 0.00 H new ATOM 0 HE1 MET A 48 73.965 8.354 11.122 1.00 0.00 H new ATOM 0 HE2 MET A 48 74.222 7.310 9.704 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.882 8.482 9.715 1.00 0.00 H new ATOM 704 N LEU A 49 68.626 2.560 10.228 1.00 0.00 N ATOM 705 CA LEU A 49 67.210 2.250 10.578 1.00 0.00 C ATOM 706 C LEU A 49 67.156 1.168 11.661 1.00 0.00 C ATOM 707 O LEU A 49 66.320 1.203 12.543 1.00 0.00 O ATOM 708 CB LEU A 49 66.581 1.747 9.279 1.00 0.00 C ATOM 709 CG LEU A 49 66.770 2.798 8.184 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.385 2.200 6.830 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.878 4.008 8.479 1.00 0.00 C ATOM 0 H LEU A 49 69.002 2.038 9.436 1.00 0.00 H new ATOM 0 HA LEU A 49 66.683 3.118 10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.042 0.806 8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.520 1.548 9.429 1.00 0.00 H new ATOM 0 HG LEU A 49 67.813 3.112 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.520 2.949 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.019 1.339 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.342 1.885 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 49 66.012 4.758 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.835 3.693 8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.152 4.435 9.444 1.00 0.00 H new ATOM 723 N GLY A 50 68.041 0.208 11.608 1.00 0.00 N ATOM 724 CA GLY A 50 68.032 -0.865 12.642 1.00 0.00 C ATOM 725 C GLY A 50 68.545 -2.176 12.041 1.00 0.00 C ATOM 726 O GLY A 50 68.866 -3.108 12.750 1.00 0.00 O ATOM 0 H GLY A 50 68.766 0.121 10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.657 -0.573 13.486 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.021 -1.003 13.026 1.00 0.00 H new ATOM 730 N GLN A 51 68.622 -2.261 10.740 1.00 0.00 N ATOM 731 CA GLN A 51 69.113 -3.522 10.108 1.00 0.00 C ATOM 732 C GLN A 51 70.642 -3.524 10.050 1.00 0.00 C ATOM 733 O GLN A 51 71.296 -2.670 10.614 1.00 0.00 O ATOM 734 CB GLN A 51 68.522 -3.528 8.694 1.00 0.00 C ATOM 735 CG GLN A 51 67.075 -3.026 8.729 1.00 0.00 C ATOM 736 CD GLN A 51 66.331 -3.669 9.901 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.674 -4.751 10.335 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.317 -3.044 10.437 1.00 0.00 N ATOM 0 H GLN A 51 68.368 -1.517 10.090 1.00 0.00 H new ATOM 0 HA GLN A 51 68.813 -4.405 10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.120 -2.895 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.556 -4.536 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.059 -1.941 8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.574 -3.268 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.028 -2.136 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 51 64.814 -3.464 11.219 1.00 0.00 H new ATOM 747 N ASN A 52 71.217 -4.479 9.372 1.00 0.00 N ATOM 748 CA ASN A 52 72.705 -4.537 9.282 1.00 0.00 C ATOM 749 C ASN A 52 73.136 -5.394 8.088 1.00 0.00 C ATOM 750 O ASN A 52 73.288 -6.594 8.209 1.00 0.00 O ATOM 751 CB ASN A 52 73.154 -5.182 10.592 1.00 0.00 C ATOM 752 CG ASN A 52 74.598 -4.779 10.893 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.464 -4.901 10.050 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.898 -4.302 12.071 1.00 0.00 N ATOM 0 H ASN A 52 70.722 -5.221 8.877 1.00 0.00 H new ATOM 0 HA ASN A 52 73.146 -3.551 9.137 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.501 -4.868 11.406 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.076 -6.267 10.521 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.859 -4.032 12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.172 -4.199 12.780 1.00 0.00 H new ATOM 761 N PRO A 53 73.322 -4.744 6.971 1.00 0.00 N ATOM 762 CA PRO A 53 73.746 -5.453 5.739 1.00 0.00 C ATOM 763 C PRO A 53 75.222 -5.852 5.836 1.00 0.00 C ATOM 764 O PRO A 53 76.050 -5.092 6.298 1.00 0.00 O ATOM 765 CB PRO A 53 73.537 -4.416 4.640 1.00 0.00 C ATOM 766 CG PRO A 53 73.621 -3.092 5.333 1.00 0.00 C ATOM 767 CD PRO A 53 73.158 -3.303 6.752 1.00 0.00 C ATOM 0 HA PRO A 53 73.191 -6.374 5.561 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.298 -4.504 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.570 -4.546 4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.642 -2.712 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.996 -2.354 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.754 -2.722 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.121 -2.995 6.883 1.00 0.00 H new ATOM 775 N THR A 54 75.558 -7.036 5.403 1.00 0.00 N ATOM 776 CA THR A 54 76.982 -7.476 5.471 1.00 0.00 C ATOM 777 C THR A 54 77.826 -6.682 4.472 1.00 0.00 C ATOM 778 O THR A 54 77.370 -6.334 3.400 1.00 0.00 O ATOM 779 CB THR A 54 76.958 -8.958 5.095 1.00 0.00 C ATOM 780 OG1 THR A 54 76.611 -9.093 3.724 1.00 0.00 O ATOM 781 CG2 THR A 54 75.929 -9.689 5.958 1.00 0.00 C ATOM 0 H THR A 54 74.911 -7.717 5.006 1.00 0.00 H new ATOM 0 HA THR A 54 77.419 -7.314 6.456 1.00 0.00 H new ATOM 0 HB THR A 54 77.944 -9.391 5.264 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.597 -10.043 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.913 -10.745 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.197 -9.586 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.942 -9.257 5.792 1.00 0.00 H new ATOM 789 N LYS A 55 79.051 -6.389 4.814 1.00 0.00 N ATOM 790 CA LYS A 55 79.922 -5.616 3.881 1.00 0.00 C ATOM 791 C LYS A 55 79.746 -6.129 2.449 1.00 0.00 C ATOM 792 O LYS A 55 79.594 -5.363 1.519 1.00 0.00 O ATOM 793 CB LYS A 55 81.349 -5.866 4.369 1.00 0.00 C ATOM 794 CG LYS A 55 82.273 -4.779 3.816 1.00 0.00 C ATOM 795 CD LYS A 55 83.352 -4.449 4.851 1.00 0.00 C ATOM 796 CE LYS A 55 84.700 -4.274 4.147 1.00 0.00 C ATOM 797 NZ LYS A 55 85.525 -3.472 5.093 1.00 0.00 N ATOM 0 H LYS A 55 79.487 -6.651 5.698 1.00 0.00 H new ATOM 0 HA LYS A 55 79.677 -4.554 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.378 -5.864 5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.690 -6.849 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.735 -5.117 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.697 -3.885 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.089 -3.537 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.417 -5.247 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.164 -5.238 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.583 -3.762 3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.466 -3.310 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.061 -2.558 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.624 -3.988 5.991 1.00 0.00 H new ATOM 811 N GLU A 56 79.760 -7.421 2.266 1.00 0.00 N ATOM 812 CA GLU A 56 79.590 -7.981 0.895 1.00 0.00 C ATOM 813 C GLU A 56 78.209 -7.611 0.348 1.00 0.00 C ATOM 814 O GLU A 56 78.067 -7.220 -0.793 1.00 0.00 O ATOM 815 CB GLU A 56 79.713 -9.495 1.066 1.00 0.00 C ATOM 816 CG GLU A 56 80.742 -10.039 0.072 1.00 0.00 C ATOM 817 CD GLU A 56 82.090 -9.357 0.310 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.668 -9.580 1.361 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.523 -8.624 -0.564 1.00 0.00 O ATOM 0 H GLU A 56 79.882 -8.113 3.006 1.00 0.00 H new ATOM 0 HA GLU A 56 80.327 -7.592 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.015 -9.733 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.746 -9.970 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.842 -11.118 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.407 -9.860 -0.950 1.00 0.00 H new ATOM 826 N GLU A 57 77.190 -7.728 1.157 1.00 0.00 N ATOM 827 CA GLU A 57 75.821 -7.379 0.683 1.00 0.00 C ATOM 828 C GLU A 57 75.826 -5.989 0.043 1.00 0.00 C ATOM 829 O GLU A 57 75.225 -5.767 -0.989 1.00 0.00 O ATOM 830 CB GLU A 57 74.952 -7.386 1.942 1.00 0.00 C ATOM 831 CG GLU A 57 74.166 -8.696 2.012 1.00 0.00 C ATOM 832 CD GLU A 57 73.227 -8.663 3.219 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.696 -8.909 4.317 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.053 -8.392 3.023 1.00 0.00 O ATOM 0 H GLU A 57 77.247 -8.049 2.123 1.00 0.00 H new ATOM 0 HA GLU A 57 75.453 -8.076 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.577 -7.277 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.267 -6.539 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 57 73.593 -8.838 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.851 -9.540 2.094 1.00 0.00 H new ATOM 841 N LEU A 58 76.504 -5.052 0.648 1.00 0.00 N ATOM 842 CA LEU A 58 76.552 -3.677 0.073 1.00 0.00 C ATOM 843 C LEU A 58 77.311 -3.691 -1.256 1.00 0.00 C ATOM 844 O LEU A 58 76.751 -3.441 -2.305 1.00 0.00 O ATOM 845 CB LEU A 58 77.299 -2.836 1.111 1.00 0.00 C ATOM 846 CG LEU A 58 76.661 -3.032 2.489 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.177 -1.958 3.447 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.139 -2.916 2.369 1.00 0.00 C ATOM 0 H LEU A 58 77.026 -5.179 1.515 1.00 0.00 H new ATOM 0 HA LEU A 58 75.558 -3.278 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.349 -3.126 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.267 -1.783 0.831 1.00 0.00 H new ATOM 0 HG LEU A 58 76.922 -4.019 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.723 -2.097 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.261 -2.038 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.916 -0.972 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.685 -3.056 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.878 -1.930 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.769 -3.680 1.686 1.00 0.00 H new ATOM 860 N ASP A 59 78.582 -3.986 -1.221 1.00 0.00 N ATOM 861 CA ASP A 59 79.373 -4.020 -2.484 1.00 0.00 C ATOM 862 C ASP A 59 78.611 -4.807 -3.554 1.00 0.00 C ATOM 863 O ASP A 59 78.659 -4.489 -4.725 1.00 0.00 O ATOM 864 CB ASP A 59 80.678 -4.727 -2.118 1.00 0.00 C ATOM 865 CG ASP A 59 81.861 -3.956 -2.707 1.00 0.00 C ATOM 866 OD1 ASP A 59 82.100 -2.846 -2.262 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.507 -4.489 -3.594 1.00 0.00 O ATOM 0 H ASP A 59 79.106 -4.205 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 59 79.555 -3.025 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.777 -4.792 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.670 -5.748 -2.500 1.00 0.00 H new ATOM 872 N ALA A 60 77.906 -5.831 -3.158 1.00 0.00 N ATOM 873 CA ALA A 60 77.137 -6.635 -4.152 1.00 0.00 C ATOM 874 C ALA A 60 75.862 -5.888 -4.554 1.00 0.00 C ATOM 875 O ALA A 60 75.579 -5.709 -5.721 1.00 0.00 O ATOM 876 CB ALA A 60 76.792 -7.936 -3.429 1.00 0.00 C ATOM 0 H ALA A 60 77.829 -6.146 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 60 77.703 -6.818 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.224 -8.584 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.711 -8.440 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.195 -7.713 -2.545 1.00 0.00 H new ATOM 882 N ILE A 61 75.094 -5.447 -3.594 1.00 0.00 N ATOM 883 CA ILE A 61 73.840 -4.709 -3.923 1.00 0.00 C ATOM 884 C ILE A 61 74.176 -3.386 -4.617 1.00 0.00 C ATOM 885 O ILE A 61 73.555 -3.009 -5.590 1.00 0.00 O ATOM 886 CB ILE A 61 73.165 -4.452 -2.576 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.622 -5.771 -2.020 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.010 -3.466 -2.761 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.419 -5.643 -0.509 1.00 0.00 C ATOM 0 H ILE A 61 75.280 -5.565 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 61 73.195 -5.270 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 61 73.892 -4.033 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.678 -6.021 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.316 -6.583 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.530 -3.284 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.394 -2.527 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.282 -3.884 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.032 -6.582 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.372 -5.413 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.708 -4.843 -0.304 1.00 0.00 H new ATOM 901 N ILE A 62 75.157 -2.679 -4.124 1.00 0.00 N ATOM 902 CA ILE A 62 75.534 -1.383 -4.760 1.00 0.00 C ATOM 903 C ILE A 62 75.760 -1.584 -6.259 1.00 0.00 C ATOM 904 O ILE A 62 74.963 -1.173 -7.077 1.00 0.00 O ATOM 905 CB ILE A 62 76.833 -0.967 -4.074 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.543 -0.577 -2.624 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.441 0.229 -4.810 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.831 -0.092 -1.959 1.00 0.00 C ATOM 0 H ILE A 62 75.713 -2.942 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 62 74.758 -0.626 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 62 77.535 -1.801 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.787 0.207 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.140 -1.431 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.368 0.525 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.650 -0.047 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.739 1.063 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.624 0.186 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.573 -0.890 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.215 0.774 -2.498 1.00 0.00 H new ATOM 920 N GLU A 63 76.840 -2.220 -6.626 1.00 0.00 N ATOM 921 CA GLU A 63 77.110 -2.450 -8.073 1.00 0.00 C ATOM 922 C GLU A 63 75.826 -2.899 -8.776 1.00 0.00 C ATOM 923 O GLU A 63 75.619 -2.629 -9.942 1.00 0.00 O ATOM 924 CB GLU A 63 78.163 -3.556 -8.106 1.00 0.00 C ATOM 925 CG GLU A 63 78.478 -3.920 -9.559 1.00 0.00 C ATOM 926 CD GLU A 63 79.994 -3.967 -9.755 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.597 -4.940 -9.334 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.528 -3.028 -10.325 1.00 0.00 O ATOM 0 H GLU A 63 77.545 -2.589 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 63 77.454 -1.551 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 63 79.069 -3.225 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.800 -4.434 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.038 -4.886 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.036 -3.186 -10.233 1.00 0.00 H new ATOM 935 N GLU A 64 74.959 -3.572 -8.070 1.00 0.00 N ATOM 936 CA GLU A 64 73.683 -4.025 -8.693 1.00 0.00 C ATOM 937 C GLU A 64 72.722 -2.839 -8.810 1.00 0.00 C ATOM 938 O GLU A 64 72.045 -2.668 -9.804 1.00 0.00 O ATOM 939 CB GLU A 64 73.127 -5.083 -7.734 1.00 0.00 C ATOM 940 CG GLU A 64 71.624 -5.257 -7.967 1.00 0.00 C ATOM 941 CD GLU A 64 71.194 -6.652 -7.510 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.037 -6.840 -6.314 1.00 0.00 O ATOM 943 OE2 GLU A 64 71.029 -7.510 -8.362 1.00 0.00 O ATOM 0 H GLU A 64 75.079 -3.828 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 64 73.822 -4.428 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.640 -6.032 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.312 -4.785 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.070 -4.496 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.391 -5.121 -9.023 1.00 0.00 H new ATOM 950 N VAL A 65 72.664 -2.019 -7.798 1.00 0.00 N ATOM 951 CA VAL A 65 71.754 -0.840 -7.841 1.00 0.00 C ATOM 952 C VAL A 65 72.542 0.413 -8.234 1.00 0.00 C ATOM 953 O VAL A 65 72.046 1.520 -8.164 1.00 0.00 O ATOM 954 CB VAL A 65 71.215 -0.711 -6.416 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.740 -2.080 -5.924 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.324 -0.196 -5.496 1.00 0.00 C ATOM 0 H VAL A 65 73.209 -2.115 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 65 70.953 -0.955 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 65 70.379 -0.011 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.356 -1.988 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.950 -2.448 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.575 -2.780 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.940 -0.104 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.160 -0.896 -5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.663 0.779 -5.846 1.00 0.00 H new ATOM 966 N ASP A 66 73.770 0.243 -8.641 1.00 0.00 N ATOM 967 CA ASP A 66 74.599 1.417 -9.036 1.00 0.00 C ATOM 968 C ASP A 66 74.057 2.045 -10.324 1.00 0.00 C ATOM 969 O ASP A 66 74.489 1.722 -11.413 1.00 0.00 O ATOM 970 CB ASP A 66 76.001 0.848 -9.268 1.00 0.00 C ATOM 971 CG ASP A 66 75.965 -0.134 -10.440 1.00 0.00 C ATOM 972 OD1 ASP A 66 74.880 -0.574 -10.784 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.021 -0.429 -10.974 1.00 0.00 O ATOM 0 H ASP A 66 74.236 -0.661 -8.717 1.00 0.00 H new ATOM 0 HA ASP A 66 74.593 2.199 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.703 1.655 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.354 0.344 -8.368 1.00 0.00 H new ATOM 1030 N THR A 72 73.302 7.220 -7.502 1.00 0.00 N ATOM 1031 CA THR A 72 72.549 7.170 -6.217 1.00 0.00 C ATOM 1032 C THR A 72 71.522 6.035 -6.245 1.00 0.00 C ATOM 1033 O THR A 72 71.394 5.324 -7.222 1.00 0.00 O ATOM 1034 CB THR A 72 71.848 8.525 -6.115 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.769 8.569 -7.040 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.843 9.640 -6.436 1.00 0.00 C ATOM 0 HA THR A 72 73.202 6.983 -5.365 1.00 0.00 H new ATOM 0 HB THR A 72 71.466 8.662 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.026 8.105 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.343 10.606 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.670 9.605 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.227 9.505 -7.447 1.00 0.00 H new ATOM 1044 N ILE A 73 70.790 5.861 -5.180 1.00 0.00 N ATOM 1045 CA ILE A 73 69.770 4.775 -5.141 1.00 0.00 C ATOM 1046 C ILE A 73 68.362 5.375 -5.109 1.00 0.00 C ATOM 1047 O ILE A 73 68.153 6.463 -4.609 1.00 0.00 O ATOM 1048 CB ILE A 73 70.060 4.011 -3.850 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.987 2.939 -3.639 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.046 4.983 -2.669 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.346 1.689 -4.446 1.00 0.00 C ATOM 0 H ILE A 73 70.854 6.425 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 73 69.818 4.128 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 73 71.039 3.537 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.909 2.691 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.013 3.318 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.253 4.439 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.809 5.747 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.067 5.456 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.582 0.927 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.401 1.943 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.311 1.306 -4.114 1.00 0.00 H new ATOM 1063 N ASP A 74 67.395 4.675 -5.638 1.00 0.00 N ATOM 1064 CA ASP A 74 66.002 5.209 -5.637 1.00 0.00 C ATOM 1065 C ASP A 74 65.199 4.596 -4.488 1.00 0.00 C ATOM 1066 O ASP A 74 65.103 3.391 -4.360 1.00 0.00 O ATOM 1067 CB ASP A 74 65.415 4.786 -6.984 1.00 0.00 C ATOM 1068 CG ASP A 74 66.231 5.410 -8.117 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.170 6.128 -7.818 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.902 5.158 -9.264 1.00 0.00 O ATOM 0 H ASP A 74 67.509 3.758 -6.070 1.00 0.00 H new ATOM 0 HA ASP A 74 65.976 6.290 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.424 3.700 -7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.374 5.103 -7.054 1.00 0.00 H new ATOM 1075 N PHE A 75 64.620 5.414 -3.652 1.00 0.00 N ATOM 1076 CA PHE A 75 63.822 4.871 -2.515 1.00 0.00 C ATOM 1077 C PHE A 75 62.926 3.729 -3.001 1.00 0.00 C ATOM 1078 O PHE A 75 62.884 2.668 -2.412 1.00 0.00 O ATOM 1079 CB PHE A 75 62.977 6.046 -2.023 1.00 0.00 C ATOM 1080 CG PHE A 75 62.505 5.771 -0.615 1.00 0.00 C ATOM 1081 CD1 PHE A 75 63.348 6.034 0.470 1.00 0.00 C ATOM 1082 CD2 PHE A 75 61.224 5.251 -0.396 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.910 5.777 1.775 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.785 4.995 0.908 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.628 5.259 1.994 1.00 0.00 C ATOM 0 H PHE A 75 64.664 6.432 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 75 64.452 4.467 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.563 6.965 -2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.122 6.194 -2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 75 64.336 6.435 0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 75 60.574 5.047 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 75 63.561 5.978 2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.796 4.594 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.289 5.063 3.001 1.00 0.00 H new ATOM 1095 N GLU A 76 62.212 3.937 -4.074 1.00 0.00 N ATOM 1096 CA GLU A 76 61.325 2.858 -4.595 1.00 0.00 C ATOM 1097 C GLU A 76 62.131 1.572 -4.789 1.00 0.00 C ATOM 1098 O GLU A 76 61.695 0.494 -4.437 1.00 0.00 O ATOM 1099 CB GLU A 76 60.811 3.378 -5.939 1.00 0.00 C ATOM 1100 CG GLU A 76 61.996 3.785 -6.817 1.00 0.00 C ATOM 1101 CD GLU A 76 61.569 4.910 -7.762 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.802 5.755 -7.335 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.019 4.906 -8.896 1.00 0.00 O ATOM 0 H GLU A 76 62.204 4.804 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 76 60.507 2.626 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.223 2.608 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.151 4.231 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.827 4.115 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.348 2.928 -7.391 1.00 0.00 H new ATOM 1110 N GLU A 77 63.308 1.681 -5.340 1.00 0.00 N ATOM 1111 CA GLU A 77 64.149 0.468 -5.551 1.00 0.00 C ATOM 1112 C GLU A 77 64.881 0.115 -4.255 1.00 0.00 C ATOM 1113 O GLU A 77 65.216 -1.026 -4.010 1.00 0.00 O ATOM 1114 CB GLU A 77 65.145 0.863 -6.641 1.00 0.00 C ATOM 1115 CG GLU A 77 66.026 -0.338 -6.990 1.00 0.00 C ATOM 1116 CD GLU A 77 66.394 -0.285 -8.475 1.00 0.00 C ATOM 1117 OE1 GLU A 77 65.501 -0.067 -9.277 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.560 -0.463 -8.783 1.00 0.00 O ATOM 0 H GLU A 77 63.725 2.558 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 77 63.562 -0.405 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.612 1.206 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.763 1.693 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.929 -0.330 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.499 -1.266 -6.768 1.00 0.00 H new ATOM 1125 N PHE A 78 65.132 1.090 -3.426 1.00 0.00 N ATOM 1126 CA PHE A 78 65.840 0.820 -2.141 1.00 0.00 C ATOM 1127 C PHE A 78 64.893 0.136 -1.151 1.00 0.00 C ATOM 1128 O PHE A 78 65.298 -0.690 -0.359 1.00 0.00 O ATOM 1129 CB PHE A 78 66.257 2.199 -1.628 1.00 0.00 C ATOM 1130 CG PHE A 78 66.633 2.108 -0.168 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.850 1.525 0.206 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.765 2.608 0.809 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.200 1.444 1.559 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.115 2.526 2.163 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.332 1.944 2.537 1.00 0.00 C ATOM 0 H PHE A 78 64.877 2.065 -3.583 1.00 0.00 H new ATOM 0 HA PHE A 78 66.696 0.157 -2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.101 2.573 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.440 2.909 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.518 1.138 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.826 3.057 0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.139 0.996 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.446 2.912 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.602 1.881 3.581 1.00 0.00 H new ATOM 1145 N LEU A 79 63.634 0.477 -1.192 1.00 0.00 N ATOM 1146 CA LEU A 79 62.660 -0.152 -0.253 1.00 0.00 C ATOM 1147 C LEU A 79 62.882 -1.667 -0.190 1.00 0.00 C ATOM 1148 O LEU A 79 62.677 -2.291 0.832 1.00 0.00 O ATOM 1149 CB LEU A 79 61.285 0.169 -0.836 1.00 0.00 C ATOM 1150 CG LEU A 79 60.913 1.615 -0.502 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.921 2.141 -1.541 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.274 1.667 0.887 1.00 0.00 C ATOM 0 H LEU A 79 63.237 1.163 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 79 62.767 0.223 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.294 0.025 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.538 -0.513 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 79 61.810 2.234 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.656 3.171 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.376 2.103 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.022 1.524 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.008 2.697 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.377 1.049 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.981 1.293 1.627 1.00 0.00 H new ATOM 1164 N VAL A 80 63.305 -2.264 -1.272 1.00 0.00 N ATOM 1165 CA VAL A 80 63.542 -3.735 -1.263 1.00 0.00 C ATOM 1166 C VAL A 80 64.755 -4.058 -0.386 1.00 0.00 C ATOM 1167 O VAL A 80 64.774 -5.041 0.327 1.00 0.00 O ATOM 1168 CB VAL A 80 63.804 -4.110 -2.726 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.235 -3.733 -3.114 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.612 -5.619 -2.905 1.00 0.00 C ATOM 0 H VAL A 80 63.496 -1.798 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 80 62.699 -4.293 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 80 63.105 -3.570 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.413 -4.003 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.375 -2.659 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 80 65.938 -4.268 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.798 -5.889 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.310 -6.154 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.591 -5.890 -2.637 1.00 0.00 H new ATOM 1180 N MET A 81 65.764 -3.229 -0.424 1.00 0.00 N ATOM 1181 CA MET A 81 66.967 -3.482 0.416 1.00 0.00 C ATOM 1182 C MET A 81 66.581 -3.405 1.894 1.00 0.00 C ATOM 1183 O MET A 81 67.284 -3.887 2.759 1.00 0.00 O ATOM 1184 CB MET A 81 67.947 -2.363 0.055 1.00 0.00 C ATOM 1185 CG MET A 81 69.062 -2.922 -0.832 1.00 0.00 C ATOM 1186 SD MET A 81 68.335 -3.835 -2.215 1.00 0.00 S ATOM 1187 CE MET A 81 68.001 -2.408 -3.278 1.00 0.00 C ATOM 0 H MET A 81 65.806 -2.389 -1.000 1.00 0.00 H new ATOM 0 HA MET A 81 67.402 -4.467 0.244 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.423 -1.561 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.372 -1.932 0.961 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.685 -2.110 -1.206 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.710 -3.578 -0.250 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.624 -2.752 -4.241 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.256 -1.768 -2.805 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.921 -1.843 -3.429 1.00 0.00 H new ATOM 1197 N MET A 82 65.458 -2.805 2.184 1.00 0.00 N ATOM 1198 CA MET A 82 65.011 -2.694 3.601 1.00 0.00 C ATOM 1199 C MET A 82 64.318 -3.990 4.030 1.00 0.00 C ATOM 1200 O MET A 82 64.760 -4.672 4.932 1.00 0.00 O ATOM 1201 CB MET A 82 64.019 -1.529 3.616 1.00 0.00 C ATOM 1202 CG MET A 82 64.577 -0.369 2.792 1.00 0.00 C ATOM 1203 SD MET A 82 63.679 1.148 3.202 1.00 0.00 S ATOM 1204 CE MET A 82 64.539 1.507 4.753 1.00 0.00 C ATOM 0 H MET A 82 64.830 -2.386 1.498 1.00 0.00 H new ATOM 0 HA MET A 82 65.842 -2.528 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.060 -1.849 3.208 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.838 -1.206 4.641 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.640 -0.242 2.997 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.481 -0.585 1.728 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.704 2.581 4.837 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.933 1.166 5.592 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.499 0.991 4.765 1.00 0.00 H new ATOM 1214 N VAL A 83 63.237 -4.336 3.384 1.00 0.00 N ATOM 1215 CA VAL A 83 62.522 -5.590 3.754 1.00 0.00 C ATOM 1216 C VAL A 83 63.434 -6.794 3.522 1.00 0.00 C ATOM 1217 O VAL A 83 63.499 -7.701 4.327 1.00 0.00 O ATOM 1218 CB VAL A 83 61.307 -5.648 2.826 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.771 -5.632 1.369 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.526 -6.937 3.096 1.00 0.00 C ATOM 0 H VAL A 83 62.820 -3.806 2.619 1.00 0.00 H new ATOM 0 HA VAL A 83 62.228 -5.606 4.803 1.00 0.00 H new ATOM 0 HB VAL A 83 60.668 -4.785 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.903 -5.673 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.330 -4.717 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.410 -6.495 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.659 -6.982 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.169 -7.798 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.193 -6.950 4.134 1.00 0.00 H new ATOM 1230 N ARG A 84 64.144 -6.807 2.428 1.00 0.00 N ATOM 1231 CA ARG A 84 65.058 -7.950 2.149 1.00 0.00 C ATOM 1232 C ARG A 84 66.060 -8.103 3.294 1.00 0.00 C ATOM 1233 O ARG A 84 66.408 -9.198 3.688 1.00 0.00 O ATOM 1234 CB ARG A 84 65.771 -7.576 0.852 1.00 0.00 C ATOM 1235 CG ARG A 84 64.755 -7.532 -0.289 1.00 0.00 C ATOM 1236 CD ARG A 84 64.745 -8.880 -1.014 1.00 0.00 C ATOM 1237 NE ARG A 84 63.711 -8.739 -2.076 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.358 -9.775 -2.785 1.00 0.00 C ATOM 1239 NH1 ARG A 84 64.215 -10.333 -3.595 1.00 0.00 N ATOM 1240 NH2 ARG A 84 62.148 -10.254 -2.682 1.00 0.00 N ATOM 0 H ARG A 84 64.131 -6.077 1.716 1.00 0.00 H new ATOM 0 HA ARG A 84 64.529 -8.899 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.258 -6.607 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.552 -8.303 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.762 -7.310 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.009 -6.734 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.722 -9.105 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.501 -9.694 -0.331 1.00 0.00 H new ATOM 0 HE ARG A 84 63.279 -7.832 -2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 84 65.161 -9.959 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.939 -11.143 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.479 -9.818 -2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.871 -11.064 -3.236 1.00 0.00 H new ATOM 1254 N GLN A 85 66.519 -7.009 3.838 1.00 0.00 N ATOM 1255 CA GLN A 85 67.489 -7.088 4.966 1.00 0.00 C ATOM 1256 C GLN A 85 66.734 -7.275 6.283 1.00 0.00 C ATOM 1257 O GLN A 85 67.227 -7.882 7.213 1.00 0.00 O ATOM 1258 CB GLN A 85 68.228 -5.749 4.952 1.00 0.00 C ATOM 1259 CG GLN A 85 69.161 -5.667 6.162 1.00 0.00 C ATOM 1260 CD GLN A 85 70.477 -6.378 5.842 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.025 -6.213 4.770 1.00 0.00 O ATOM 1262 NE2 GLN A 85 71.011 -7.168 6.733 1.00 0.00 N ATOM 0 H GLN A 85 66.264 -6.064 3.550 1.00 0.00 H new ATOM 0 HA GLN A 85 68.178 -7.927 4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.801 -5.648 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.513 -4.927 4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.352 -4.625 6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.689 -6.127 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.551 -7.307 7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.888 -7.647 6.530 1.00 0.00 H new ATOM 1271 N MET A 86 65.538 -6.761 6.364 1.00 0.00 N ATOM 1272 CA MET A 86 64.747 -6.913 7.616 1.00 0.00 C ATOM 1273 C MET A 86 64.105 -8.300 7.662 1.00 0.00 C ATOM 1274 O MET A 86 63.788 -8.812 8.717 1.00 0.00 O ATOM 1275 CB MET A 86 63.675 -5.825 7.547 1.00 0.00 C ATOM 1276 CG MET A 86 64.018 -4.711 8.536 1.00 0.00 C ATOM 1277 SD MET A 86 62.585 -3.627 8.747 1.00 0.00 S ATOM 1278 CE MET A 86 63.094 -2.352 7.567 1.00 0.00 C ATOM 0 H MET A 86 65.075 -6.243 5.617 1.00 0.00 H new ATOM 0 HA MET A 86 65.363 -6.815 8.510 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.614 -5.423 6.536 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.698 -6.247 7.782 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.308 -5.139 9.496 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.871 -4.137 8.172 1.00 0.00 H new ATOM 0 HE1 MET A 86 63.295 -1.423 8.100 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.996 -2.676 7.048 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.297 -2.189 6.841 1.00 0.00 H new ATOM 1288 N LYS A 87 63.917 -8.916 6.526 1.00 0.00 N ATOM 1289 CA LYS A 87 63.303 -10.274 6.516 1.00 0.00 C ATOM 1290 C LYS A 87 64.024 -11.163 7.531 1.00 0.00 C ATOM 1291 O LYS A 87 63.471 -12.112 8.050 1.00 0.00 O ATOM 1292 CB LYS A 87 63.512 -10.797 5.094 1.00 0.00 C ATOM 1293 CG LYS A 87 62.372 -10.311 4.196 1.00 0.00 C ATOM 1294 CD LYS A 87 61.434 -11.479 3.881 1.00 0.00 C ATOM 1295 CE LYS A 87 61.208 -11.561 2.369 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.955 -12.350 2.209 1.00 0.00 N ATOM 0 H LYS A 87 64.161 -8.540 5.610 1.00 0.00 H new ATOM 0 HA LYS A 87 62.247 -10.262 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.469 -10.449 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.546 -11.886 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.821 -9.512 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.775 -9.895 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.863 -12.412 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.482 -11.343 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.108 -10.568 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 87 62.047 -12.047 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.734 -12.449 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 60.082 -13.293 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.173 -11.860 2.688 1.00 0.00 H new ATOM 1310 N GLU A 88 65.258 -10.851 7.824 1.00 0.00 N ATOM 1311 CA GLU A 88 66.023 -11.661 8.813 1.00 0.00 C ATOM 1312 C GLU A 88 65.993 -10.971 10.180 1.00 0.00 C ATOM 1313 O GLU A 88 65.903 -11.611 11.209 1.00 0.00 O ATOM 1314 CB GLU A 88 67.451 -11.713 8.267 1.00 0.00 C ATOM 1315 CG GLU A 88 68.045 -13.099 8.523 1.00 0.00 C ATOM 1316 CD GLU A 88 69.197 -12.984 9.523 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.927 -12.687 10.675 1.00 0.00 O ATOM 1318 OE2 GLU A 88 70.329 -13.195 9.120 1.00 0.00 O ATOM 0 H GLU A 88 65.770 -10.067 7.419 1.00 0.00 H new ATOM 0 HA GLU A 88 65.607 -12.659 8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.451 -11.497 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.063 -10.949 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.278 -13.769 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.402 -13.531 7.588 1.00 0.00 H new ATOM 1325 N ASP A 89 66.063 -9.667 10.195 1.00 0.00 N ATOM 1326 CA ASP A 89 66.034 -8.932 11.493 1.00 0.00 C ATOM 1327 C ASP A 89 64.610 -8.907 12.052 1.00 0.00 C ATOM 1328 O ASP A 89 64.401 -8.834 13.246 1.00 0.00 O ATOM 1329 CB ASP A 89 66.503 -7.516 11.157 1.00 0.00 C ATOM 1330 CG ASP A 89 67.123 -6.875 12.400 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.435 -7.605 13.327 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.278 -5.664 12.404 1.00 0.00 O ATOM 0 H ASP A 89 66.139 -9.079 9.365 1.00 0.00 H new ATOM 0 HA ASP A 89 66.664 -9.401 12.248 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.233 -7.546 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.663 -6.917 10.807 1.00 0.00 H new ATOM 1337 N ALA A 90 63.626 -8.968 11.195 1.00 0.00 N ATOM 1338 CA ALA A 90 62.215 -8.946 11.677 1.00 0.00 C ATOM 1339 C ALA A 90 61.798 -10.339 12.156 1.00 0.00 C ATOM 1340 O ALA A 90 60.801 -10.840 11.662 1.00 0.00 O ATOM 1341 CB ALA A 90 61.388 -8.527 10.461 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.482 -10.881 13.010 1.00 0.00 O ATOM 0 H ALA A 90 63.738 -9.032 10.183 1.00 0.00 H new ATOM 0 HA ALA A 90 62.076 -8.267 12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.334 -8.487 10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.712 -7.543 10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.528 -9.252 9.659 1.00 0.00 H new