USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 TYR OH : rot 30:sc= -1.34 USER MOD Set 2.1: A 48 SER OG : rot 120:sc= 0.775 USER MOD Set 2.2: A 50 ASN : amide:sc= 0.87 K(o=1.6,f=-2.6!) USER MOD Set 3.1: A 30 MET CE :methyl -137:sc= -1.65 (180deg=-2.62) USER MOD Set 3.2: A 72 MET CE :methyl 153:sc= -1.41 (180deg=-0.678) USER MOD Single : A 4 MET CE :methyl -152:sc= -3.32! (180deg=-4.26!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 13 THR OG1 : rot -150:sc= 0.566 USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 26 MET CE :methyl -119:sc=-0.00362 (180deg=-3.52!) USER MOD Single : A 38 SER OG : rot 79:sc= 1.27 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 56 GLN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 61 SER OG : rot 177:sc= 1.26 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 69 HIS : no HD1:sc=-0.000356 X(o=-0.00036,f=-0.01) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.0629 F(o=-1.4,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 10.341 5.044 -19.269 1.00 0.00 N ATOM 2 CA MET A 4 10.563 6.252 -18.511 1.00 0.00 C ATOM 3 C MET A 4 9.810 6.209 -17.181 1.00 0.00 C ATOM 4 O MET A 4 8.787 5.543 -17.063 1.00 0.00 O ATOM 5 CB MET A 4 10.186 7.500 -19.304 1.00 0.00 C ATOM 6 CG MET A 4 8.736 7.524 -19.791 1.00 0.00 C ATOM 7 SD MET A 4 8.413 6.362 -21.137 1.00 0.00 S ATOM 8 CE MET A 4 6.694 6.703 -21.494 1.00 0.00 C ATOM 0 HA MET A 4 11.631 6.308 -18.302 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.363 8.378 -18.682 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.848 7.582 -20.166 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.076 7.293 -18.955 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.489 8.532 -20.124 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.222 5.808 -21.898 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.184 7.000 -20.578 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.627 7.510 -22.224 1.00 0.00 H new ATOM 18 N ARG A 5 10.334 6.912 -16.188 1.00 0.00 N ATOM 19 CA ARG A 5 9.710 7.003 -14.883 1.00 0.00 C ATOM 20 C ARG A 5 8.370 7.742 -14.966 1.00 0.00 C ATOM 21 O ARG A 5 7.413 7.435 -14.272 1.00 0.00 O ATOM 22 CB ARG A 5 10.640 7.702 -13.888 1.00 0.00 C ATOM 23 CG ARG A 5 10.236 7.554 -12.428 1.00 0.00 C ATOM 24 CD ARG A 5 10.508 6.148 -11.918 1.00 0.00 C ATOM 25 NE ARG A 5 11.943 5.883 -11.783 1.00 0.00 N ATOM 26 CZ ARG A 5 12.505 4.685 -11.965 1.00 0.00 C ATOM 27 NH1 ARG A 5 11.744 3.641 -12.311 1.00 0.00 N ATOM 28 NH2 ARG A 5 13.807 4.527 -11.808 1.00 0.00 N ATOM 0 H ARG A 5 11.206 7.435 -16.268 1.00 0.00 H new ATOM 0 HA ARG A 5 9.521 5.989 -14.530 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.648 7.306 -14.014 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.681 8.763 -14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.785 8.275 -11.822 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.177 7.785 -12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.021 6.012 -10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.068 5.422 -12.602 1.00 0.00 H new ATOM 0 HE ARG A 5 12.551 6.663 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.739 3.761 -12.435 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.169 2.724 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.389 5.322 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.230 3.610 -11.948 1.00 0.00 H new ATOM 42 N SER A 6 8.330 8.713 -15.897 1.00 0.00 N ATOM 43 CA SER A 6 7.124 9.528 -16.114 1.00 0.00 C ATOM 44 C SER A 6 6.099 8.783 -16.965 1.00 0.00 C ATOM 45 O SER A 6 5.151 9.382 -17.470 1.00 0.00 O ATOM 46 CB SER A 6 7.525 10.835 -16.789 1.00 0.00 C ATOM 47 OG SER A 6 8.473 11.535 -16.008 1.00 0.00 O ATOM 0 H SER A 6 9.113 8.950 -16.506 1.00 0.00 H new ATOM 0 HA SER A 6 6.660 9.737 -15.150 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.942 10.627 -17.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.643 11.457 -16.941 1.00 0.00 H new ATOM 0 HG SER A 6 8.718 12.369 -16.460 1.00 0.00 H new ATOM 53 N GLU A 7 6.286 7.482 -17.137 1.00 0.00 N ATOM 54 CA GLU A 7 5.387 6.681 -17.951 1.00 0.00 C ATOM 55 C GLU A 7 3.990 6.626 -17.336 1.00 0.00 C ATOM 56 O GLU A 7 3.001 6.419 -18.028 1.00 0.00 O ATOM 57 CB GLU A 7 5.929 5.253 -18.111 1.00 0.00 C ATOM 58 CG GLU A 7 5.251 4.494 -19.245 1.00 0.00 C ATOM 59 CD GLU A 7 5.545 3.011 -19.208 1.00 0.00 C ATOM 60 OE1 GLU A 7 4.806 2.274 -18.519 1.00 0.00 O ATOM 61 OE2 GLU A 7 6.496 2.566 -19.884 1.00 0.00 O ATOM 0 H GLU A 7 7.056 6.958 -16.721 1.00 0.00 H new ATOM 0 HA GLU A 7 5.322 7.154 -18.931 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.002 5.294 -18.297 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.788 4.708 -17.178 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.174 4.649 -19.188 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.582 4.903 -20.200 1.00 0.00 H new ATOM 68 N PHE A 8 3.920 6.801 -16.019 1.00 0.00 N ATOM 69 CA PHE A 8 2.663 6.742 -15.309 1.00 0.00 C ATOM 70 C PHE A 8 1.915 8.071 -15.405 1.00 0.00 C ATOM 71 O PHE A 8 2.447 9.047 -15.932 1.00 0.00 O ATOM 72 CB PHE A 8 2.914 6.358 -13.848 1.00 0.00 C ATOM 73 CG PHE A 8 3.444 4.957 -13.711 1.00 0.00 C ATOM 74 CD1 PHE A 8 4.787 4.681 -13.921 1.00 0.00 C ATOM 75 CD2 PHE A 8 2.608 3.905 -13.367 1.00 0.00 C ATOM 76 CE1 PHE A 8 5.284 3.401 -13.794 1.00 0.00 C ATOM 77 CE2 PHE A 8 3.094 2.612 -13.244 1.00 0.00 C ATOM 78 CZ PHE A 8 4.433 2.370 -13.456 1.00 0.00 C ATOM 0 H PHE A 8 4.729 6.986 -15.426 1.00 0.00 H new ATOM 0 HA PHE A 8 2.035 5.980 -15.771 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.624 7.058 -13.407 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.985 6.450 -13.285 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.457 5.485 -14.189 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.560 4.096 -13.192 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.334 3.207 -13.958 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.428 1.802 -12.984 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.819 1.366 -13.357 1.00 0.00 H new ATOM 88 N ALA A 9 0.708 8.114 -14.870 1.00 0.00 N ATOM 89 CA ALA A 9 -0.223 9.232 -15.037 1.00 0.00 C ATOM 90 C ALA A 9 0.425 10.597 -14.795 1.00 0.00 C ATOM 91 O ALA A 9 0.263 11.521 -15.589 1.00 0.00 O ATOM 92 CB ALA A 9 -1.444 9.067 -14.138 1.00 0.00 C ATOM 0 H ALA A 9 0.333 7.360 -14.294 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.536 9.207 -16.081 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.119 9.911 -14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.961 8.142 -14.392 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.126 9.030 -13.096 1.00 0.00 H new ATOM 98 N SER A 10 1.174 10.708 -13.708 1.00 0.00 N ATOM 99 CA SER A 10 1.845 11.951 -13.388 1.00 0.00 C ATOM 100 C SER A 10 3.335 11.718 -13.133 1.00 0.00 C ATOM 101 O SER A 10 4.042 12.567 -12.623 1.00 0.00 O ATOM 102 CB SER A 10 1.179 12.606 -12.170 1.00 0.00 C ATOM 103 OG SER A 10 -0.230 12.721 -12.355 1.00 0.00 O ATOM 0 H SER A 10 1.330 9.955 -13.038 1.00 0.00 H new ATOM 0 HA SER A 10 1.756 12.624 -14.241 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.385 12.015 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.609 13.594 -12.004 1.00 0.00 H new ATOM 0 HG SER A 10 -0.631 13.140 -11.565 1.00 0.00 H new ATOM 109 N GLY A 11 3.797 10.528 -13.520 1.00 0.00 N ATOM 110 CA GLY A 11 5.175 10.146 -13.257 1.00 0.00 C ATOM 111 C GLY A 11 5.418 9.769 -11.804 1.00 0.00 C ATOM 112 O GLY A 11 5.721 8.614 -11.486 1.00 0.00 O ATOM 0 H GLY A 11 3.243 9.825 -14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.441 9.303 -13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.833 10.971 -13.528 1.00 0.00 H new ATOM 116 N ASN A 12 5.257 10.765 -10.924 1.00 0.00 N ATOM 117 CA ASN A 12 5.385 10.571 -9.491 1.00 0.00 C ATOM 118 C ASN A 12 4.426 9.491 -8.986 1.00 0.00 C ATOM 119 O ASN A 12 4.662 8.881 -7.941 1.00 0.00 O ATOM 120 CB ASN A 12 5.133 11.890 -8.740 1.00 0.00 C ATOM 121 CG ASN A 12 3.701 12.399 -8.871 1.00 0.00 C ATOM 122 OD1 ASN A 12 3.356 13.084 -9.826 1.00 0.00 O ATOM 123 ND2 ASN A 12 2.854 12.090 -7.888 1.00 0.00 N ATOM 0 H ASN A 12 5.035 11.723 -11.194 1.00 0.00 H new ATOM 0 HA ASN A 12 6.405 10.240 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.365 11.748 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.817 12.650 -9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.891 12.426 -7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.169 11.518 -7.105 1.00 0.00 H new ATOM 130 N THR A 13 3.349 9.267 -9.735 1.00 0.00 N ATOM 131 CA THR A 13 2.358 8.253 -9.389 1.00 0.00 C ATOM 132 C THR A 13 2.999 6.877 -9.138 1.00 0.00 C ATOM 133 O THR A 13 2.518 6.093 -8.324 1.00 0.00 O ATOM 134 CB THR A 13 1.335 8.145 -10.532 1.00 0.00 C ATOM 135 OG1 THR A 13 1.127 9.434 -11.117 1.00 0.00 O ATOM 136 CG2 THR A 13 0.019 7.595 -10.006 1.00 0.00 C ATOM 0 H THR A 13 3.140 9.779 -10.592 1.00 0.00 H new ATOM 0 HA THR A 13 1.870 8.559 -8.463 1.00 0.00 H new ATOM 0 HB THR A 13 1.721 7.465 -11.291 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.214 9.491 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.698 7.523 -10.824 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.183 6.606 -9.579 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.373 8.262 -9.238 1.00 0.00 H new ATOM 144 N TYR A 14 4.109 6.598 -9.829 1.00 0.00 N ATOM 145 CA TYR A 14 4.851 5.367 -9.612 1.00 0.00 C ATOM 146 C TYR A 14 5.432 5.354 -8.213 1.00 0.00 C ATOM 147 O TYR A 14 5.268 4.385 -7.455 1.00 0.00 O ATOM 148 CB TYR A 14 5.967 5.211 -10.652 1.00 0.00 C ATOM 149 CG TYR A 14 6.826 3.985 -10.421 1.00 0.00 C ATOM 150 CD1 TYR A 14 6.297 2.696 -10.533 1.00 0.00 C ATOM 151 CD2 TYR A 14 8.165 4.120 -10.097 1.00 0.00 C ATOM 152 CE1 TYR A 14 7.084 1.585 -10.314 1.00 0.00 C ATOM 153 CE2 TYR A 14 8.971 2.999 -9.888 1.00 0.00 C ATOM 154 CZ TYR A 14 8.418 1.740 -9.992 1.00 0.00 C ATOM 155 OH TYR A 14 9.219 0.632 -9.791 1.00 0.00 O ATOM 0 H TYR A 14 4.507 7.211 -10.540 1.00 0.00 H new ATOM 0 HA TYR A 14 4.165 4.527 -9.722 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.524 5.155 -11.646 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.599 6.099 -10.634 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.257 2.568 -10.795 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.593 5.107 -10.004 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.658 0.596 -10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.017 3.117 -9.647 1.00 0.00 H new ATOM 0 HH TYR A 14 8.892 -0.112 -10.340 1.00 0.00 H new ATOM 165 N ALA A 15 6.106 6.440 -7.865 1.00 0.00 N ATOM 166 CA ALA A 15 6.659 6.649 -6.554 1.00 0.00 C ATOM 167 C ALA A 15 5.559 6.623 -5.500 1.00 0.00 C ATOM 168 O ALA A 15 5.784 6.235 -4.348 1.00 0.00 O ATOM 169 CB ALA A 15 7.410 7.955 -6.508 1.00 0.00 C ATOM 0 H ALA A 15 6.282 7.212 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 15 7.357 5.841 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.824 8.102 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.220 7.935 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.730 8.774 -6.743 1.00 0.00 H new ATOM 175 N LEU A 16 4.374 7.061 -5.886 1.00 0.00 N ATOM 176 CA LEU A 16 3.223 7.033 -5.018 1.00 0.00 C ATOM 177 C LEU A 16 2.767 5.598 -4.782 1.00 0.00 C ATOM 178 O LEU A 16 2.321 5.248 -3.699 1.00 0.00 O ATOM 179 CB LEU A 16 2.091 7.857 -5.620 1.00 0.00 C ATOM 180 CG LEU A 16 0.827 7.945 -4.770 1.00 0.00 C ATOM 181 CD1 LEU A 16 1.127 8.555 -3.407 1.00 0.00 C ATOM 182 CD2 LEU A 16 -0.232 8.762 -5.500 1.00 0.00 C ATOM 0 H LEU A 16 4.188 7.446 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 16 3.501 7.468 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.457 8.867 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.829 7.432 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 16 0.448 6.936 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.209 8.606 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.857 7.937 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.530 9.559 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.132 8.821 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.147 9.767 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.470 8.283 -6.450 1.00 0.00 H new ATOM 194 N TYR A 17 2.884 4.763 -5.822 1.00 0.00 N ATOM 195 CA TYR A 17 2.464 3.372 -5.729 1.00 0.00 C ATOM 196 C TYR A 17 3.332 2.609 -4.745 1.00 0.00 C ATOM 197 O TYR A 17 2.825 1.913 -3.868 1.00 0.00 O ATOM 198 CB TYR A 17 2.514 2.702 -7.106 1.00 0.00 C ATOM 199 CG TYR A 17 1.900 1.323 -7.120 1.00 0.00 C ATOM 200 CD1 TYR A 17 0.517 1.157 -7.212 1.00 0.00 C ATOM 201 CD2 TYR A 17 2.682 0.172 -7.024 1.00 0.00 C ATOM 202 CE1 TYR A 17 -0.064 -0.099 -7.221 1.00 0.00 C ATOM 203 CE2 TYR A 17 2.109 -1.093 -7.031 1.00 0.00 C ATOM 204 CZ TYR A 17 0.737 -1.218 -7.137 1.00 0.00 C ATOM 205 OH TYR A 17 0.159 -2.486 -7.142 1.00 0.00 O ATOM 0 H TYR A 17 3.265 5.031 -6.730 1.00 0.00 H new ATOM 0 HA TYR A 17 1.436 3.354 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.994 3.331 -7.828 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.552 2.634 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.115 2.030 -7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.755 0.266 -6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.137 -0.202 -7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.731 -1.972 -6.954 1.00 0.00 H new ATOM 0 HH TYR A 17 0.862 -3.166 -7.077 1.00 0.00 H new ATOM 215 N VAL A 18 4.644 2.747 -4.885 1.00 0.00 N ATOM 216 CA VAL A 18 5.559 2.094 -3.965 1.00 0.00 C ATOM 217 C VAL A 18 5.364 2.632 -2.547 1.00 0.00 C ATOM 218 O VAL A 18 5.300 1.861 -1.594 1.00 0.00 O ATOM 219 CB VAL A 18 7.045 2.232 -4.408 1.00 0.00 C ATOM 220 CG1 VAL A 18 7.226 1.694 -5.810 1.00 0.00 C ATOM 221 CG2 VAL A 18 7.547 3.665 -4.320 1.00 0.00 C ATOM 0 H VAL A 18 5.092 3.298 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 18 5.323 1.030 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 18 7.644 1.641 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.270 1.797 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.943 0.642 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.596 2.256 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.588 3.706 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.943 4.302 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.470 4.015 -3.291 1.00 0.00 H new ATOM 231 N ARG A 19 5.210 3.950 -2.426 1.00 0.00 N ATOM 232 CA ARG A 19 4.954 4.595 -1.140 1.00 0.00 C ATOM 233 C ARG A 19 3.687 4.039 -0.490 1.00 0.00 C ATOM 234 O ARG A 19 3.648 3.764 0.716 1.00 0.00 O ATOM 235 CB ARG A 19 4.798 6.104 -1.348 1.00 0.00 C ATOM 236 CG ARG A 19 4.187 6.855 -0.186 1.00 0.00 C ATOM 237 CD ARG A 19 3.936 8.311 -0.540 1.00 0.00 C ATOM 238 NE ARG A 19 2.895 8.909 0.307 1.00 0.00 N ATOM 239 CZ ARG A 19 2.333 10.079 0.045 1.00 0.00 C ATOM 240 NH1 ARG A 19 2.725 10.802 -0.986 1.00 0.00 N ATOM 241 NH2 ARG A 19 1.357 10.542 0.836 1.00 0.00 N ATOM 0 H ARG A 19 5.259 4.597 -3.213 1.00 0.00 H new ATOM 0 HA ARG A 19 5.798 4.394 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.779 6.529 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.182 6.271 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.248 6.382 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.851 6.798 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.862 8.876 -0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.639 8.384 -1.586 1.00 0.00 H new ATOM 0 HE ARG A 19 2.591 8.399 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.470 10.462 -1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.283 11.701 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.048 9.994 1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.923 11.443 0.636 1.00 0.00 H new ATOM 255 N ASP A 20 2.660 3.839 -1.311 1.00 0.00 N ATOM 256 CA ASP A 20 1.353 3.378 -0.858 1.00 0.00 C ATOM 257 C ASP A 20 1.460 2.056 -0.111 1.00 0.00 C ATOM 258 O ASP A 20 0.724 1.807 0.838 1.00 0.00 O ATOM 259 CB ASP A 20 0.420 3.221 -2.067 1.00 0.00 C ATOM 260 CG ASP A 20 -0.985 2.766 -1.682 1.00 0.00 C ATOM 261 OD1 ASP A 20 -1.829 3.637 -1.354 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.260 1.549 -1.744 1.00 0.00 O ATOM 0 H ASP A 20 2.713 3.994 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 20 0.946 4.119 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.356 4.172 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.852 2.500 -2.761 1.00 0.00 H new ATOM 267 N THR A 21 2.384 1.210 -0.541 1.00 0.00 N ATOM 268 CA THR A 21 2.493 -0.134 0.032 1.00 0.00 C ATOM 269 C THR A 21 3.755 -0.287 0.892 1.00 0.00 C ATOM 270 O THR A 21 3.978 -1.344 1.498 1.00 0.00 O ATOM 271 CB THR A 21 2.471 -1.199 -1.077 1.00 0.00 C ATOM 272 OG1 THR A 21 1.498 -0.826 -2.074 1.00 0.00 O ATOM 273 CG2 THR A 21 2.087 -2.560 -0.519 1.00 0.00 C ATOM 0 H THR A 21 3.062 1.420 -1.273 1.00 0.00 H new ATOM 0 HA THR A 21 1.630 -0.281 0.681 1.00 0.00 H new ATOM 0 HB THR A 21 3.469 -1.260 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.482 -1.501 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.079 -3.294 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.811 -2.860 0.239 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.095 -2.503 -0.071 1.00 0.00 H new ATOM 281 N LEU A 22 4.590 0.753 0.960 1.00 0.00 N ATOM 282 CA LEU A 22 5.780 0.691 1.805 1.00 0.00 C ATOM 283 C LEU A 22 5.385 0.996 3.248 1.00 0.00 C ATOM 284 O LEU A 22 5.212 2.156 3.633 1.00 0.00 O ATOM 285 CB LEU A 22 6.878 1.647 1.327 1.00 0.00 C ATOM 286 CG LEU A 22 7.611 1.201 0.068 1.00 0.00 C ATOM 287 CD1 LEU A 22 8.814 2.089 -0.187 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.060 -0.252 0.191 1.00 0.00 C ATOM 0 H LEU A 22 4.467 1.629 0.452 1.00 0.00 H new ATOM 0 HA LEU A 22 6.194 -0.315 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.434 2.625 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.606 1.772 2.129 1.00 0.00 H new ATOM 0 HG LEU A 22 6.922 1.285 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.327 1.757 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.485 3.120 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.497 2.029 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.581 -0.550 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.731 -0.355 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.189 -0.891 0.336 1.00 0.00 H new ATOM 300 N GLN A 23 5.247 -0.054 4.017 1.00 0.00 N ATOM 301 CA GLN A 23 4.989 0.044 5.443 1.00 0.00 C ATOM 302 C GLN A 23 6.302 0.029 6.215 1.00 0.00 C ATOM 303 O GLN A 23 7.331 -0.376 5.688 1.00 0.00 O ATOM 304 CB GLN A 23 4.108 -1.112 5.892 1.00 0.00 C ATOM 305 CG GLN A 23 2.720 -1.114 5.279 1.00 0.00 C ATOM 306 CD GLN A 23 1.958 -2.390 5.564 1.00 0.00 C ATOM 307 OE1 GLN A 23 2.273 -3.029 6.679 1.00 0.00 O flip ATOM 308 NE2 GLN A 23 1.094 -2.796 4.786 1.00 0.00 N flip ATOM 0 H GLN A 23 5.310 -1.013 3.674 1.00 0.00 H new ATOM 0 HA GLN A 23 4.473 0.983 5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.604 -2.050 5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.013 -1.081 6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.156 -0.265 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.803 -0.978 4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.884 -2.270 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.588 -3.658 4.990 1.00 0.00 H new ATOM 317 N PRO A 24 6.293 0.482 7.475 1.00 0.00 N ATOM 318 CA PRO A 24 7.474 0.390 8.347 1.00 0.00 C ATOM 319 C PRO A 24 8.017 -1.035 8.417 1.00 0.00 C ATOM 320 O PRO A 24 7.369 -1.934 8.956 1.00 0.00 O ATOM 321 CB PRO A 24 6.946 0.853 9.720 1.00 0.00 C ATOM 322 CG PRO A 24 5.761 1.689 9.404 1.00 0.00 C ATOM 323 CD PRO A 24 5.152 1.115 8.155 1.00 0.00 C ATOM 0 HA PRO A 24 8.307 0.992 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.676 0.004 10.348 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.700 1.423 10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.046 1.674 10.226 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.050 2.729 9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.371 0.391 8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.697 1.890 7.538 1.00 0.00 H new ATOM 331 N GLY A 25 9.184 -1.246 7.833 1.00 0.00 N ATOM 332 CA GLY A 25 9.754 -2.573 7.783 1.00 0.00 C ATOM 333 C GLY A 25 9.803 -3.136 6.383 1.00 0.00 C ATOM 334 O GLY A 25 10.387 -4.202 6.154 1.00 0.00 O ATOM 0 H GLY A 25 9.748 -0.520 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.763 -2.546 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.169 -3.239 8.417 1.00 0.00 H new ATOM 338 N MET A 26 9.175 -2.445 5.426 1.00 0.00 N ATOM 339 CA MET A 26 9.186 -2.884 4.043 1.00 0.00 C ATOM 340 C MET A 26 10.567 -2.645 3.426 1.00 0.00 C ATOM 341 O MET A 26 11.180 -1.596 3.622 1.00 0.00 O ATOM 342 CB MET A 26 8.127 -2.160 3.228 1.00 0.00 C ATOM 343 CG MET A 26 7.309 -3.066 2.331 1.00 0.00 C ATOM 344 SD MET A 26 6.354 -4.277 3.271 1.00 0.00 S ATOM 345 CE MET A 26 5.181 -4.808 2.036 1.00 0.00 C ATOM 0 H MET A 26 8.656 -1.583 5.592 1.00 0.00 H new ATOM 0 HA MET A 26 8.961 -3.950 4.027 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.455 -1.637 3.909 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.612 -1.401 2.614 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.632 -2.461 1.727 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.973 -3.586 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.170 -4.580 2.373 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.378 -4.286 1.099 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.278 -5.882 1.880 1.00 0.00 H new ATOM 355 N ARG A 27 11.041 -3.629 2.695 1.00 0.00 N ATOM 356 CA ARG A 27 12.353 -3.540 2.073 1.00 0.00 C ATOM 357 C ARG A 27 12.263 -2.776 0.755 1.00 0.00 C ATOM 358 O ARG A 27 11.212 -2.741 0.120 1.00 0.00 O ATOM 359 CB ARG A 27 12.905 -4.942 1.837 1.00 0.00 C ATOM 360 CG ARG A 27 14.415 -4.978 1.692 1.00 0.00 C ATOM 361 CD ARG A 27 14.892 -6.414 1.605 1.00 0.00 C ATOM 362 NE ARG A 27 16.349 -6.511 1.637 1.00 0.00 N ATOM 363 CZ ARG A 27 17.011 -7.564 1.174 1.00 0.00 C ATOM 364 NH1 ARG A 27 16.370 -8.579 0.588 1.00 0.00 N ATOM 365 NH2 ARG A 27 18.331 -7.624 1.339 1.00 0.00 N ATOM 0 H ARG A 27 10.543 -4.500 2.514 1.00 0.00 H new ATOM 0 HA ARG A 27 13.027 -3.000 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.612 -5.585 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.451 -5.357 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.716 -4.431 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.882 -4.481 2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.473 -6.986 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.519 -6.865 0.685 1.00 0.00 H new ATOM 0 HE ARG A 27 16.881 -5.736 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.355 -8.553 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.896 -9.380 0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.820 -6.867 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.853 -8.427 0.988 1.00 0.00 H new ATOM 379 N VAL A 28 13.354 -2.114 0.381 1.00 0.00 N ATOM 380 CA VAL A 28 13.379 -1.302 -0.826 1.00 0.00 C ATOM 381 C VAL A 28 14.686 -1.503 -1.597 1.00 0.00 C ATOM 382 O VAL A 28 15.693 -1.943 -1.055 1.00 0.00 O ATOM 383 CB VAL A 28 13.239 0.215 -0.502 1.00 0.00 C ATOM 384 CG1 VAL A 28 11.913 0.498 0.183 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.405 0.681 0.345 1.00 0.00 C ATOM 0 H VAL A 28 14.233 -2.126 0.899 1.00 0.00 H new ATOM 0 HA VAL A 28 12.532 -1.625 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 28 13.254 0.775 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.836 1.563 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.094 0.201 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.856 -0.067 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.294 1.743 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.425 0.118 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.337 0.518 -0.197 1.00 0.00 H new ATOM 395 N ARG A 29 14.645 -1.207 -2.890 1.00 0.00 N ATOM 396 CA ARG A 29 15.842 -1.242 -3.722 1.00 0.00 C ATOM 397 C ARG A 29 16.011 0.057 -4.498 1.00 0.00 C ATOM 398 O ARG A 29 15.030 0.670 -4.912 1.00 0.00 O ATOM 399 CB ARG A 29 15.785 -2.452 -4.669 1.00 0.00 C ATOM 400 CG ARG A 29 17.009 -2.620 -5.540 1.00 0.00 C ATOM 401 CD ARG A 29 17.084 -4.032 -6.092 1.00 0.00 C ATOM 402 NE ARG A 29 15.868 -4.417 -6.789 1.00 0.00 N ATOM 403 CZ ARG A 29 15.566 -5.680 -7.138 1.00 0.00 C ATOM 404 NH1 ARG A 29 16.423 -6.653 -6.914 1.00 0.00 N ATOM 405 NH2 ARG A 29 14.423 -5.930 -7.759 1.00 0.00 N ATOM 0 H ARG A 29 13.795 -0.940 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 29 16.713 -1.347 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.649 -3.356 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.908 -2.356 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.978 -1.904 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.906 -2.402 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.931 -4.109 -6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.268 -4.730 -5.275 1.00 0.00 H new ATOM 0 HE ARG A 29 15.202 -3.683 -7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.321 -6.451 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.190 -7.610 -7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.779 -5.167 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.187 -6.885 -8.027 1.00 0.00 H new ATOM 419 N MET A 30 17.257 0.477 -4.660 1.00 0.00 N ATOM 420 CA MET A 30 17.587 1.709 -5.353 1.00 0.00 C ATOM 421 C MET A 30 17.556 1.498 -6.876 1.00 0.00 C ATOM 422 O MET A 30 18.307 0.685 -7.395 1.00 0.00 O ATOM 423 CB MET A 30 18.956 2.204 -4.924 1.00 0.00 C ATOM 424 CG MET A 30 19.355 3.550 -5.485 1.00 0.00 C ATOM 425 SD MET A 30 18.268 4.872 -4.911 1.00 0.00 S ATOM 426 CE MET A 30 19.146 6.291 -5.554 1.00 0.00 C ATOM 0 H MET A 30 18.070 -0.031 -4.312 1.00 0.00 H new ATOM 0 HA MET A 30 16.842 2.460 -5.091 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.981 2.259 -3.836 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.702 1.467 -5.223 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.382 3.773 -5.195 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.333 3.510 -6.574 1.00 0.00 H new ATOM 0 HE1 MET A 30 19.168 7.078 -4.800 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.166 6.003 -5.808 1.00 0.00 H new ATOM 0 HE3 MET A 30 18.640 6.658 -6.447 1.00 0.00 H new ATOM 436 N LEU A 31 16.695 2.226 -7.568 1.00 0.00 N ATOM 437 CA LEU A 31 16.544 2.075 -9.016 1.00 0.00 C ATOM 438 C LEU A 31 17.470 3.012 -9.788 1.00 0.00 C ATOM 439 O LEU A 31 17.869 2.703 -10.924 1.00 0.00 O ATOM 440 CB LEU A 31 15.103 2.377 -9.422 1.00 0.00 C ATOM 441 CG LEU A 31 14.066 1.353 -8.946 1.00 0.00 C ATOM 442 CD1 LEU A 31 12.656 1.873 -9.228 1.00 0.00 C ATOM 443 CD2 LEU A 31 14.295 0.036 -9.665 1.00 0.00 C ATOM 0 H LEU A 31 16.086 2.931 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 31 16.807 1.046 -9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.829 3.357 -9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.054 2.442 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 31 14.171 1.197 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.923 1.141 -8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.502 2.813 -8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.536 2.036 -10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.559 -0.695 -9.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.193 0.186 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.297 -0.330 -9.443 1.00 0.00 H new ATOM 455 N ASP A 32 17.832 4.135 -9.194 1.00 0.00 N ATOM 456 CA ASP A 32 18.619 5.153 -9.891 1.00 0.00 C ATOM 457 C ASP A 32 20.001 5.283 -9.263 1.00 0.00 C ATOM 458 O ASP A 32 20.249 4.766 -8.174 1.00 0.00 O ATOM 459 CB ASP A 32 17.905 6.498 -9.869 1.00 0.00 C ATOM 460 CG ASP A 32 16.810 6.611 -10.916 1.00 0.00 C ATOM 461 OD1 ASP A 32 15.688 6.122 -10.678 1.00 0.00 O ATOM 462 OD2 ASP A 32 17.068 7.224 -11.975 1.00 0.00 O ATOM 0 H ASP A 32 17.596 4.371 -8.230 1.00 0.00 H new ATOM 0 HA ASP A 32 18.733 4.839 -10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.472 6.656 -8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.635 7.292 -10.028 1.00 0.00 H new ATOM 467 N ASP A 33 20.890 5.987 -9.948 1.00 0.00 N ATOM 468 CA ASP A 33 22.216 6.227 -9.417 1.00 0.00 C ATOM 469 C ASP A 33 22.280 7.610 -8.776 1.00 0.00 C ATOM 470 O ASP A 33 21.906 8.607 -9.379 1.00 0.00 O ATOM 471 CB ASP A 33 23.270 6.094 -10.531 1.00 0.00 C ATOM 472 CG ASP A 33 24.693 6.083 -9.990 1.00 0.00 C ATOM 473 OD1 ASP A 33 25.175 5.000 -9.596 1.00 0.00 O ATOM 474 OD2 ASP A 33 25.327 7.155 -9.981 1.00 0.00 O ATOM 0 H ASP A 33 20.716 6.398 -10.865 1.00 0.00 H new ATOM 0 HA ASP A 33 22.431 5.481 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 33 23.090 5.175 -11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 23.158 6.920 -11.233 1.00 0.00 H new ATOM 479 N TYR A 34 22.724 7.647 -7.530 1.00 0.00 N ATOM 480 CA TYR A 34 22.675 8.856 -6.731 1.00 0.00 C ATOM 481 C TYR A 34 24.069 9.284 -6.261 1.00 0.00 C ATOM 482 O TYR A 34 25.053 8.603 -6.506 1.00 0.00 O ATOM 483 CB TYR A 34 21.722 8.644 -5.533 1.00 0.00 C ATOM 484 CG TYR A 34 21.305 9.913 -4.812 1.00 0.00 C ATOM 485 CD1 TYR A 34 20.488 10.860 -5.434 1.00 0.00 C ATOM 486 CD2 TYR A 34 21.721 10.171 -3.521 1.00 0.00 C ATOM 487 CE1 TYR A 34 20.103 12.015 -4.772 1.00 0.00 C ATOM 488 CE2 TYR A 34 21.334 11.320 -2.851 1.00 0.00 C ATOM 489 CZ TYR A 34 20.527 12.231 -3.483 1.00 0.00 C ATOM 490 OH TYR A 34 20.143 13.378 -2.818 1.00 0.00 O ATOM 0 H TYR A 34 23.126 6.843 -7.048 1.00 0.00 H new ATOM 0 HA TYR A 34 22.292 9.666 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 34 20.826 8.134 -5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 34 22.205 7.979 -4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.151 10.690 -6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.363 9.460 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.474 12.741 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 34 21.665 11.497 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 34 20.527 13.377 -1.916 1.00 0.00 H new ATOM 500 N GLU A 35 24.117 10.396 -5.562 1.00 0.00 N ATOM 501 CA GLU A 35 25.365 10.997 -5.126 1.00 0.00 C ATOM 502 C GLU A 35 25.844 10.359 -3.820 1.00 0.00 C ATOM 503 O GLU A 35 26.538 11.010 -3.020 1.00 0.00 O ATOM 504 CB GLU A 35 25.201 12.493 -4.960 1.00 0.00 C ATOM 505 CG GLU A 35 24.667 13.187 -6.201 1.00 0.00 C ATOM 506 CD GLU A 35 25.569 12.990 -7.406 1.00 0.00 C ATOM 507 OE1 GLU A 35 25.376 11.991 -8.133 1.00 0.00 O ATOM 508 OE2 GLU A 35 26.452 13.830 -7.637 1.00 0.00 O ATOM 0 H GLU A 35 23.287 10.915 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 35 26.120 10.816 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 35 24.525 12.686 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 35 26.165 12.929 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 35 23.672 12.804 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 35 24.560 14.253 -6.001 1.00 0.00 H new ATOM 515 N GLU A 36 25.488 9.097 -3.611 1.00 0.00 N ATOM 516 CA GLU A 36 25.792 8.401 -2.369 1.00 0.00 C ATOM 517 C GLU A 36 25.397 6.925 -2.504 1.00 0.00 C ATOM 518 O GLU A 36 26.108 6.027 -2.073 1.00 0.00 O ATOM 519 CB GLU A 36 25.023 9.029 -1.194 1.00 0.00 C ATOM 520 CG GLU A 36 25.628 8.748 0.159 1.00 0.00 C ATOM 521 CD GLU A 36 26.978 9.415 0.320 1.00 0.00 C ATOM 522 OE1 GLU A 36 27.010 10.616 0.673 1.00 0.00 O ATOM 523 OE2 GLU A 36 28.013 8.757 0.090 1.00 0.00 O ATOM 0 H GLU A 36 24.984 8.531 -4.294 1.00 0.00 H new ATOM 0 HA GLU A 36 26.861 8.485 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.974 10.108 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 36 23.998 8.659 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.953 9.100 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 36 25.736 7.672 0.293 1.00 0.00 H new ATOM 530 N ILE A 37 24.246 6.736 -3.132 1.00 0.00 N ATOM 531 CA ILE A 37 23.689 5.410 -3.343 1.00 0.00 C ATOM 532 C ILE A 37 23.678 5.114 -4.837 1.00 0.00 C ATOM 533 O ILE A 37 23.691 6.045 -5.644 1.00 0.00 O ATOM 534 CB ILE A 37 22.259 5.327 -2.759 1.00 0.00 C ATOM 535 CG1 ILE A 37 22.222 5.844 -1.320 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.733 3.900 -2.806 1.00 0.00 C ATOM 537 CD1 ILE A 37 23.101 5.048 -0.364 1.00 0.00 C ATOM 0 H ILE A 37 23.675 7.493 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 37 24.302 4.668 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 37 21.618 5.958 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.539 6.887 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 37 21.193 5.820 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.726 3.869 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.709 3.555 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 37 22.387 3.252 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 37 23.025 5.471 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.771 4.009 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 37 24.137 5.093 -0.699 1.00 0.00 H new ATOM 549 N SER A 38 23.659 3.861 -5.207 1.00 0.00 N ATOM 550 CA SER A 38 23.721 3.494 -6.616 1.00 0.00 C ATOM 551 C SER A 38 22.630 2.490 -6.939 1.00 0.00 C ATOM 552 O SER A 38 22.056 1.866 -6.025 1.00 0.00 O ATOM 553 CB SER A 38 25.101 2.935 -6.947 1.00 0.00 C ATOM 554 OG SER A 38 25.215 2.648 -8.330 1.00 0.00 O ATOM 0 H SER A 38 23.601 3.072 -4.563 1.00 0.00 H new ATOM 0 HA SER A 38 23.557 4.380 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.867 3.654 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.278 2.029 -6.368 1.00 0.00 H new ATOM 0 HG SER A 38 25.379 3.478 -8.824 1.00 0.00 H new ATOM 560 N ALA A 39 22.331 2.311 -8.223 1.00 0.00 N ATOM 561 CA ALA A 39 21.297 1.398 -8.650 1.00 0.00 C ATOM 562 C ALA A 39 21.638 -0.019 -8.222 1.00 0.00 C ATOM 563 O ALA A 39 22.748 -0.509 -8.465 1.00 0.00 O ATOM 564 CB ALA A 39 21.119 1.455 -10.162 1.00 0.00 C ATOM 0 H ALA A 39 22.801 2.797 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 39 20.361 1.697 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.335 0.760 -10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.840 2.466 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 39 22.055 1.180 -10.649 1.00 0.00 H new ATOM 570 N GLY A 40 20.679 -0.673 -7.567 1.00 0.00 N ATOM 571 CA GLY A 40 20.858 -2.049 -7.121 1.00 0.00 C ATOM 572 C GLY A 40 21.090 -2.171 -5.623 1.00 0.00 C ATOM 573 O GLY A 40 20.927 -3.256 -5.056 1.00 0.00 O ATOM 0 H GLY A 40 19.771 -0.270 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.977 -2.629 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 40 21.704 -2.488 -7.650 1.00 0.00 H new ATOM 577 N ASP A 41 21.472 -1.073 -4.975 1.00 0.00 N ATOM 578 CA ASP A 41 21.602 -1.063 -3.530 1.00 0.00 C ATOM 579 C ASP A 41 20.249 -1.332 -2.886 1.00 0.00 C ATOM 580 O ASP A 41 19.243 -0.810 -3.340 1.00 0.00 O ATOM 581 CB ASP A 41 22.151 0.274 -3.013 1.00 0.00 C ATOM 582 CG ASP A 41 23.624 0.502 -3.343 1.00 0.00 C ATOM 583 OD1 ASP A 41 24.414 -0.456 -3.205 1.00 0.00 O ATOM 584 OD2 ASP A 41 23.989 1.633 -3.706 1.00 0.00 O ATOM 0 H ASP A 41 21.694 -0.187 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 41 22.310 -1.847 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.563 1.087 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.019 0.317 -1.932 1.00 0.00 H new ATOM 589 N GLU A 42 20.225 -2.148 -1.838 1.00 0.00 N ATOM 590 CA GLU A 42 18.978 -2.451 -1.164 1.00 0.00 C ATOM 591 C GLU A 42 19.011 -1.943 0.270 1.00 0.00 C ATOM 592 O GLU A 42 20.082 -1.705 0.843 1.00 0.00 O ATOM 593 CB GLU A 42 18.718 -3.954 -1.199 1.00 0.00 C ATOM 594 CG GLU A 42 18.412 -4.458 -2.598 1.00 0.00 C ATOM 595 CD GLU A 42 18.334 -5.970 -2.671 1.00 0.00 C ATOM 596 OE1 GLU A 42 17.328 -6.565 -2.207 1.00 0.00 O ATOM 597 OE2 GLU A 42 19.276 -6.574 -3.202 1.00 0.00 O ATOM 0 H GLU A 42 21.047 -2.605 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 42 18.164 -1.945 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.590 -4.480 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.883 -4.191 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 42 17.466 -4.033 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 42 19.182 -4.104 -3.284 1.00 0.00 H new ATOM 604 N GLY A 43 17.837 -1.734 0.837 1.00 0.00 N ATOM 605 CA GLY A 43 17.714 -1.284 2.213 1.00 0.00 C ATOM 606 C GLY A 43 16.330 -1.516 2.758 1.00 0.00 C ATOM 607 O GLY A 43 15.492 -2.153 2.119 1.00 0.00 O ATOM 0 H GLY A 43 16.946 -1.870 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.441 -1.809 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.954 -0.222 2.270 1.00 0.00 H new ATOM 611 N GLU A 44 16.069 -0.981 3.939 1.00 0.00 N ATOM 612 CA GLU A 44 14.776 -1.153 4.581 1.00 0.00 C ATOM 613 C GLU A 44 14.141 0.207 4.857 1.00 0.00 C ATOM 614 O GLU A 44 14.827 1.200 5.111 1.00 0.00 O ATOM 615 CB GLU A 44 14.926 -1.938 5.879 1.00 0.00 C ATOM 616 CG GLU A 44 13.604 -2.273 6.547 1.00 0.00 C ATOM 617 CD GLU A 44 13.776 -3.086 7.811 1.00 0.00 C ATOM 618 OE1 GLU A 44 13.860 -4.326 7.722 1.00 0.00 O ATOM 619 OE2 GLU A 44 13.839 -2.489 8.912 1.00 0.00 O ATOM 0 H GLU A 44 16.736 -0.424 4.473 1.00 0.00 H new ATOM 0 HA GLU A 44 14.126 -1.715 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.464 -2.864 5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.538 -1.362 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.077 -1.349 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.978 -2.826 5.847 1.00 0.00 H new ATOM 626 N PHE A 45 12.823 0.245 4.815 1.00 0.00 N ATOM 627 CA PHE A 45 12.075 1.470 5.026 1.00 0.00 C ATOM 628 C PHE A 45 11.721 1.620 6.497 1.00 0.00 C ATOM 629 O PHE A 45 11.068 0.752 7.086 1.00 0.00 O ATOM 630 CB PHE A 45 10.806 1.452 4.170 1.00 0.00 C ATOM 631 CG PHE A 45 9.850 2.559 4.458 1.00 0.00 C ATOM 632 CD1 PHE A 45 10.036 3.813 3.903 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.763 2.356 5.283 1.00 0.00 C ATOM 634 CE1 PHE A 45 9.156 4.832 4.166 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.871 3.372 5.545 1.00 0.00 C ATOM 636 CZ PHE A 45 8.066 4.615 4.986 1.00 0.00 C ATOM 0 H PHE A 45 12.240 -0.572 4.634 1.00 0.00 H new ATOM 0 HA PHE A 45 12.689 2.321 4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.091 1.500 3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.296 0.500 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.882 3.991 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.609 1.385 5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.316 5.807 3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.021 3.194 6.187 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.370 5.416 5.188 1.00 0.00 H new ATOM 646 N ARG A 46 12.172 2.689 7.116 1.00 0.00 N ATOM 647 CA ARG A 46 11.879 2.951 8.521 1.00 0.00 C ATOM 648 C ARG A 46 10.741 3.940 8.677 1.00 0.00 C ATOM 649 O ARG A 46 9.771 3.681 9.398 1.00 0.00 O ATOM 650 CB ARG A 46 13.118 3.464 9.245 1.00 0.00 C ATOM 651 CG ARG A 46 14.203 2.428 9.407 1.00 0.00 C ATOM 652 CD ARG A 46 15.401 2.976 10.162 1.00 0.00 C ATOM 653 NE ARG A 46 16.396 1.932 10.428 1.00 0.00 N ATOM 654 CZ ARG A 46 17.573 2.154 11.017 1.00 0.00 C ATOM 655 NH1 ARG A 46 17.881 3.364 11.475 1.00 0.00 N ATOM 656 NH2 ARG A 46 18.414 1.154 11.203 1.00 0.00 N ATOM 0 H ARG A 46 12.749 3.401 6.669 1.00 0.00 H new ATOM 0 HA ARG A 46 11.572 2.006 8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.521 4.316 8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.827 3.828 10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.804 1.564 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.522 2.079 8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.860 3.778 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.069 3.412 11.104 1.00 0.00 H new ATOM 0 HE ARG A 46 16.175 0.977 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.216 4.131 11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.783 3.525 11.924 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.164 0.214 10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.314 1.321 11.653 1.00 0.00 H new ATOM 670 N GLN A 47 10.832 5.068 7.989 1.00 0.00 N ATOM 671 CA GLN A 47 9.852 6.133 8.118 1.00 0.00 C ATOM 672 C GLN A 47 9.992 7.128 6.987 1.00 0.00 C ATOM 673 O GLN A 47 11.028 7.210 6.330 1.00 0.00 O ATOM 674 CB GLN A 47 10.000 6.835 9.461 1.00 0.00 C ATOM 675 CG GLN A 47 11.353 7.484 9.672 1.00 0.00 C ATOM 676 CD GLN A 47 11.449 8.174 10.999 1.00 0.00 C ATOM 677 OE1 GLN A 47 11.841 7.595 12.016 1.00 0.00 O ATOM 678 NE2 GLN A 47 11.055 9.440 11.026 1.00 0.00 N ATOM 0 H GLN A 47 11.583 5.269 7.329 1.00 0.00 H new ATOM 0 HA GLN A 47 8.858 5.689 8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.226 7.597 9.548 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.827 6.112 10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.133 6.726 9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.536 8.205 8.875 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.736 9.893 10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.071 9.961 11.903 1.00 0.00 H new ATOM 687 N SER A 48 8.944 7.882 6.750 1.00 0.00 N ATOM 688 CA SER A 48 8.942 8.828 5.660 1.00 0.00 C ATOM 689 C SER A 48 8.150 10.072 6.002 1.00 0.00 C ATOM 690 O SER A 48 7.579 10.175 7.085 1.00 0.00 O ATOM 691 CB SER A 48 8.296 8.167 4.442 1.00 0.00 C ATOM 692 OG SER A 48 7.055 7.569 4.791 1.00 0.00 O ATOM 0 H SER A 48 8.083 7.859 7.297 1.00 0.00 H new ATOM 0 HA SER A 48 9.973 9.118 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.140 8.910 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.967 7.411 4.034 1.00 0.00 H new ATOM 0 HG SER A 48 6.335 7.979 4.267 1.00 0.00 H new ATOM 698 N ASN A 49 8.138 11.002 5.076 1.00 0.00 N ATOM 699 CA ASN A 49 7.234 12.114 5.139 1.00 0.00 C ATOM 700 C ASN A 49 6.241 11.937 4.013 1.00 0.00 C ATOM 701 O ASN A 49 6.548 12.145 2.837 1.00 0.00 O ATOM 702 CB ASN A 49 7.970 13.445 4.985 1.00 0.00 C ATOM 703 CG ASN A 49 9.120 13.610 5.963 1.00 0.00 C ATOM 704 OD1 ASN A 49 8.944 14.098 7.079 1.00 0.00 O ATOM 705 ND2 ASN A 49 10.302 13.212 5.531 1.00 0.00 N ATOM 0 H ASN A 49 8.754 11.005 4.263 1.00 0.00 H new ATOM 0 HA ASN A 49 6.738 12.138 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.353 13.525 3.968 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.262 14.262 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.122 13.303 6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.396 12.813 4.597 1.00 0.00 H new ATOM 712 N ASN A 50 5.039 11.523 4.366 1.00 0.00 N ATOM 713 CA ASN A 50 4.056 11.108 3.373 1.00 0.00 C ATOM 714 C ASN A 50 3.343 12.303 2.762 1.00 0.00 C ATOM 715 O ASN A 50 2.228 12.666 3.148 1.00 0.00 O ATOM 716 CB ASN A 50 3.047 10.130 3.972 1.00 0.00 C ATOM 717 CG ASN A 50 3.684 8.776 4.279 1.00 0.00 C ATOM 718 OD1 ASN A 50 4.659 8.367 3.643 1.00 0.00 O ATOM 719 ND2 ASN A 50 3.151 8.087 5.275 1.00 0.00 N ATOM 0 H ASN A 50 4.716 11.464 5.332 1.00 0.00 H new ATOM 0 HA ASN A 50 4.596 10.597 2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.631 10.552 4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.218 9.993 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.546 7.185 5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.345 8.458 5.778 1.00 0.00 H new ATOM 726 N GLY A 51 4.022 12.948 1.825 1.00 0.00 N ATOM 727 CA GLY A 51 3.461 14.062 1.106 1.00 0.00 C ATOM 728 C GLY A 51 4.559 14.788 0.336 1.00 0.00 C ATOM 729 O GLY A 51 4.319 15.390 -0.705 1.00 0.00 O ATOM 0 H GLY A 51 4.974 12.708 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.692 13.712 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.977 14.748 1.801 1.00 0.00 H new ATOM 733 N VAL A 52 5.771 14.709 0.865 1.00 0.00 N ATOM 734 CA VAL A 52 6.944 15.305 0.240 1.00 0.00 C ATOM 735 C VAL A 52 7.960 14.231 -0.138 1.00 0.00 C ATOM 736 O VAL A 52 7.831 13.077 0.292 1.00 0.00 O ATOM 737 CB VAL A 52 7.598 16.343 1.163 1.00 0.00 C ATOM 738 CG1 VAL A 52 6.748 17.593 1.246 1.00 0.00 C ATOM 739 CG2 VAL A 52 7.829 15.771 2.555 1.00 0.00 C ATOM 0 H VAL A 52 5.970 14.228 1.742 1.00 0.00 H new ATOM 0 HA VAL A 52 6.612 15.811 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 52 8.566 16.605 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.228 18.317 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.638 18.025 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.765 17.339 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.293 16.528 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.875 15.472 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.485 14.903 2.487 1.00 0.00 H new ATOM 749 N PRO A 53 8.949 14.569 -0.999 1.00 0.00 N ATOM 750 CA PRO A 53 9.993 13.627 -1.458 1.00 0.00 C ATOM 751 C PRO A 53 10.811 12.936 -0.337 1.00 0.00 C ATOM 752 O PRO A 53 10.985 11.725 -0.378 1.00 0.00 O ATOM 753 CB PRO A 53 10.911 14.488 -2.320 1.00 0.00 C ATOM 754 CG PRO A 53 10.074 15.660 -2.728 1.00 0.00 C ATOM 755 CD PRO A 53 9.110 15.908 -1.602 1.00 0.00 C ATOM 0 HA PRO A 53 9.524 12.791 -1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.791 14.807 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.268 13.936 -3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.696 16.537 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.541 15.452 -3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.504 16.628 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.161 16.304 -1.963 1.00 0.00 H new ATOM 763 N PRO A 54 11.336 13.679 0.672 1.00 0.00 N ATOM 764 CA PRO A 54 12.233 13.099 1.688 1.00 0.00 C ATOM 765 C PRO A 54 11.684 11.854 2.377 1.00 0.00 C ATOM 766 O PRO A 54 10.659 11.899 3.073 1.00 0.00 O ATOM 767 CB PRO A 54 12.433 14.231 2.713 1.00 0.00 C ATOM 768 CG PRO A 54 11.397 15.249 2.393 1.00 0.00 C ATOM 769 CD PRO A 54 11.130 15.119 0.912 1.00 0.00 C ATOM 0 HA PRO A 54 13.154 12.756 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.318 13.862 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.435 14.654 2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.489 15.076 2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.746 16.252 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.118 15.432 0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.813 15.730 0.322 1.00 0.00 H new ATOM 777 N VAL A 55 12.378 10.729 2.190 1.00 0.00 N ATOM 778 CA VAL A 55 12.045 9.486 2.872 1.00 0.00 C ATOM 779 C VAL A 55 13.286 8.903 3.516 1.00 0.00 C ATOM 780 O VAL A 55 14.353 8.897 2.913 1.00 0.00 O ATOM 781 CB VAL A 55 11.436 8.451 1.889 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.285 8.292 0.655 1.00 0.00 C ATOM 783 CG2 VAL A 55 11.221 7.106 2.571 1.00 0.00 C ATOM 0 H VAL A 55 13.181 10.659 1.565 1.00 0.00 H new ATOM 0 HA VAL A 55 11.303 9.711 3.638 1.00 0.00 H new ATOM 0 HB VAL A 55 10.465 8.834 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.827 7.560 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.363 9.250 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.280 7.951 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.793 6.401 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.176 6.724 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.539 7.230 3.412 1.00 0.00 H new ATOM 793 N GLN A 56 13.155 8.427 4.751 1.00 0.00 N ATOM 794 CA GLN A 56 14.288 7.925 5.512 1.00 0.00 C ATOM 795 C GLN A 56 14.401 6.410 5.382 1.00 0.00 C ATOM 796 O GLN A 56 13.560 5.658 5.866 1.00 0.00 O ATOM 797 CB GLN A 56 14.155 8.326 6.984 1.00 0.00 C ATOM 798 CG GLN A 56 15.267 7.808 7.882 1.00 0.00 C ATOM 799 CD GLN A 56 15.298 8.472 9.247 1.00 0.00 C ATOM 800 OE1 GLN A 56 14.273 8.900 9.753 1.00 0.00 O ATOM 801 NE2 GLN A 56 16.482 8.589 9.820 1.00 0.00 N ATOM 0 H GLN A 56 12.265 8.380 5.247 1.00 0.00 H new ATOM 0 HA GLN A 56 15.197 8.369 5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.129 9.414 7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.200 7.961 7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.148 6.732 8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.226 7.965 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.311 8.215 9.358 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.567 9.053 10.724 1.00 0.00 H new ATOM 810 N VAL A 57 15.452 5.978 4.711 1.00 0.00 N ATOM 811 CA VAL A 57 15.665 4.567 4.428 1.00 0.00 C ATOM 812 C VAL A 57 17.017 4.127 4.988 1.00 0.00 C ATOM 813 O VAL A 57 18.000 4.860 4.927 1.00 0.00 O ATOM 814 CB VAL A 57 15.654 4.323 2.896 1.00 0.00 C ATOM 815 CG1 VAL A 57 15.946 2.858 2.564 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.315 4.755 2.299 1.00 0.00 C ATOM 0 H VAL A 57 16.181 6.591 4.347 1.00 0.00 H new ATOM 0 HA VAL A 57 14.865 3.993 4.895 1.00 0.00 H new ATOM 0 HB VAL A 57 16.446 4.927 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.931 2.720 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.928 2.586 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.187 2.223 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.322 4.578 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.510 4.179 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.157 5.816 2.491 1.00 0.00 H new ATOM 826 N PHE A 58 17.067 2.915 5.545 1.00 0.00 N ATOM 827 CA PHE A 58 18.329 2.361 5.996 1.00 0.00 C ATOM 828 C PHE A 58 18.901 1.471 4.898 1.00 0.00 C ATOM 829 O PHE A 58 18.367 0.405 4.605 1.00 0.00 O ATOM 830 CB PHE A 58 18.131 1.560 7.284 1.00 0.00 C ATOM 831 CG PHE A 58 19.426 1.041 7.854 1.00 0.00 C ATOM 832 CD1 PHE A 58 20.273 1.880 8.576 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.803 -0.281 7.672 1.00 0.00 C ATOM 834 CE1 PHE A 58 21.458 1.400 9.094 1.00 0.00 C ATOM 835 CE2 PHE A 58 20.984 -0.758 8.200 1.00 0.00 C ATOM 836 CZ PHE A 58 21.817 0.081 8.916 1.00 0.00 C ATOM 0 H PHE A 58 16.257 2.312 5.690 1.00 0.00 H new ATOM 0 HA PHE A 58 19.027 3.171 6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.639 2.189 8.026 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.464 0.721 7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.000 2.913 8.731 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.164 -0.945 7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.110 2.063 9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 58 21.259 -1.792 8.053 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.741 -0.293 9.332 1.00 0.00 H new ATOM 846 N TRP A 59 19.984 1.922 4.309 1.00 0.00 N ATOM 847 CA TRP A 59 20.622 1.188 3.226 1.00 0.00 C ATOM 848 C TRP A 59 21.530 0.122 3.796 1.00 0.00 C ATOM 849 O TRP A 59 22.523 0.428 4.433 1.00 0.00 O ATOM 850 CB TRP A 59 21.387 2.141 2.304 1.00 0.00 C ATOM 851 CG TRP A 59 20.473 3.068 1.571 1.00 0.00 C ATOM 852 CD1 TRP A 59 20.280 4.404 1.810 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.624 2.732 0.473 1.00 0.00 C ATOM 854 NE1 TRP A 59 19.370 4.915 0.915 1.00 0.00 N ATOM 855 CE2 TRP A 59 18.947 3.913 0.097 1.00 0.00 C ATOM 856 CE3 TRP A 59 19.364 1.550 -0.228 1.00 0.00 C ATOM 857 CZ2 TRP A 59 18.043 3.937 -0.954 1.00 0.00 C ATOM 858 CZ3 TRP A 59 18.453 1.579 -1.274 1.00 0.00 C ATOM 859 CH2 TRP A 59 17.813 2.769 -1.626 1.00 0.00 C ATOM 0 H TRP A 59 20.448 2.796 4.558 1.00 0.00 H new ATOM 0 HA TRP A 59 19.855 0.699 2.625 1.00 0.00 H new ATOM 0 HB2 TRP A 59 22.097 2.722 2.893 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.968 1.562 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 59 20.771 4.972 2.587 1.00 0.00 H new ATOM 0 HE1 TRP A 59 19.062 5.886 0.871 1.00 0.00 H new ATOM 0 HE3 TRP A 59 19.864 0.631 0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 17.537 4.849 -1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 18.237 0.673 -1.821 1.00 0.00 H new ATOM 0 HH2 TRP A 59 17.117 2.767 -2.452 1.00 0.00 H new ATOM 870 N GLU A 60 21.182 -1.138 3.576 1.00 0.00 N ATOM 871 CA GLU A 60 21.911 -2.250 4.148 1.00 0.00 C ATOM 872 C GLU A 60 23.186 -2.493 3.373 1.00 0.00 C ATOM 873 O GLU A 60 24.148 -3.090 3.883 1.00 0.00 O ATOM 874 CB GLU A 60 21.045 -3.517 4.188 1.00 0.00 C ATOM 875 CG GLU A 60 20.684 -4.055 2.806 1.00 0.00 C ATOM 876 CD GLU A 60 19.874 -5.334 2.899 1.00 0.00 C ATOM 877 OE1 GLU A 60 20.468 -6.422 2.981 1.00 0.00 O ATOM 878 OE2 GLU A 60 18.635 -5.250 2.859 1.00 0.00 O ATOM 0 H GLU A 60 20.388 -1.413 2.997 1.00 0.00 H new ATOM 0 HA GLU A 60 22.172 -1.996 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 60 21.574 -4.291 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 60 20.128 -3.303 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.116 -3.303 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 60 21.595 -4.241 2.238 1.00 0.00 H new ATOM 885 N SER A 61 23.220 -2.001 2.134 1.00 0.00 N ATOM 886 CA SER A 61 24.392 -2.107 1.284 1.00 0.00 C ATOM 887 C SER A 61 25.556 -1.300 1.863 1.00 0.00 C ATOM 888 O SER A 61 26.699 -1.771 1.917 1.00 0.00 O ATOM 889 CB SER A 61 24.036 -1.598 -0.119 1.00 0.00 C ATOM 890 OG SER A 61 25.136 -1.697 -1.018 1.00 0.00 O ATOM 0 H SER A 61 22.434 -1.520 1.698 1.00 0.00 H new ATOM 0 HA SER A 61 24.704 -3.150 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.196 -2.171 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.712 -0.559 -0.056 1.00 0.00 H new ATOM 0 HG SER A 61 24.856 -1.405 -1.911 1.00 0.00 H new ATOM 896 N THR A 62 25.247 -0.105 2.320 1.00 0.00 N ATOM 897 CA THR A 62 26.258 0.792 2.882 1.00 0.00 C ATOM 898 C THR A 62 26.278 0.675 4.400 1.00 0.00 C ATOM 899 O THR A 62 27.315 0.809 5.049 1.00 0.00 O ATOM 900 CB THR A 62 25.960 2.252 2.484 1.00 0.00 C ATOM 901 OG1 THR A 62 25.470 2.289 1.144 1.00 0.00 O ATOM 902 CG2 THR A 62 27.211 3.120 2.606 1.00 0.00 C ATOM 0 H THR A 62 24.301 0.277 2.317 1.00 0.00 H new ATOM 0 HA THR A 62 27.232 0.505 2.485 1.00 0.00 H new ATOM 0 HB THR A 62 25.205 2.650 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 62 25.279 3.216 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.973 4.144 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 62 27.565 3.105 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 62 27.989 2.731 1.949 1.00 0.00 H new ATOM 910 N GLY A 63 25.105 0.429 4.970 1.00 0.00 N ATOM 911 CA GLY A 63 24.993 0.253 6.413 1.00 0.00 C ATOM 912 C GLY A 63 24.662 1.561 7.116 1.00 0.00 C ATOM 913 O GLY A 63 24.944 1.718 8.305 1.00 0.00 O ATOM 0 H GLY A 63 24.225 0.347 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.219 -0.483 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.930 -0.144 6.805 1.00 0.00 H new ATOM 917 N ARG A 64 24.064 2.485 6.380 1.00 0.00 N ATOM 918 CA ARG A 64 23.750 3.801 6.936 1.00 0.00 C ATOM 919 C ARG A 64 22.312 4.216 6.606 1.00 0.00 C ATOM 920 O ARG A 64 21.737 3.794 5.598 1.00 0.00 O ATOM 921 CB ARG A 64 24.711 4.852 6.403 1.00 0.00 C ATOM 922 CG ARG A 64 24.664 5.011 4.890 1.00 0.00 C ATOM 923 CD ARG A 64 25.357 6.286 4.428 1.00 0.00 C ATOM 924 NE ARG A 64 26.786 6.325 4.779 1.00 0.00 N ATOM 925 CZ ARG A 64 27.416 7.436 5.134 1.00 0.00 C ATOM 926 NH1 ARG A 64 26.755 8.567 5.306 1.00 0.00 N ATOM 927 NH2 ARG A 64 28.730 7.399 5.358 1.00 0.00 N ATOM 0 H ARG A 64 23.787 2.355 5.407 1.00 0.00 H new ATOM 0 HA ARG A 64 23.855 3.730 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.481 5.811 6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.726 4.588 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.139 4.150 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.626 5.022 4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.252 6.379 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.856 7.146 4.872 1.00 0.00 H new ATOM 0 HE ARG A 64 27.317 5.455 4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 64 25.745 8.594 5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 64 27.255 9.413 5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 64 29.240 6.522 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.225 8.248 5.632 1.00 0.00 H new ATOM 941 N THR A 65 21.744 5.024 7.480 1.00 0.00 N ATOM 942 CA THR A 65 20.450 5.618 7.246 1.00 0.00 C ATOM 943 C THR A 65 20.605 6.841 6.347 1.00 0.00 C ATOM 944 O THR A 65 21.564 7.613 6.500 1.00 0.00 O ATOM 945 CB THR A 65 19.798 6.039 8.576 1.00 0.00 C ATOM 946 OG1 THR A 65 20.121 5.087 9.605 1.00 0.00 O ATOM 947 CG2 THR A 65 18.291 6.146 8.437 1.00 0.00 C ATOM 0 H THR A 65 22.169 5.284 8.370 1.00 0.00 H new ATOM 0 HA THR A 65 19.811 4.881 6.761 1.00 0.00 H new ATOM 0 HB THR A 65 20.190 7.019 8.848 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.704 5.362 10.448 1.00 0.00 H new ATOM 0 HG21 THR A 65 17.858 6.445 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 65 18.047 6.891 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 65 17.883 5.180 8.140 1.00 0.00 H new ATOM 955 N TYR A 66 19.697 7.010 5.400 1.00 0.00 N ATOM 956 CA TYR A 66 19.783 8.109 4.451 1.00 0.00 C ATOM 957 C TYR A 66 18.400 8.519 3.945 1.00 0.00 C ATOM 958 O TYR A 66 17.494 7.702 3.890 1.00 0.00 O ATOM 959 CB TYR A 66 20.699 7.714 3.286 1.00 0.00 C ATOM 960 CG TYR A 66 21.110 8.874 2.393 1.00 0.00 C ATOM 961 CD1 TYR A 66 21.951 9.878 2.878 1.00 0.00 C ATOM 962 CD2 TYR A 66 20.659 8.970 1.081 1.00 0.00 C ATOM 963 CE1 TYR A 66 22.323 10.935 2.060 1.00 0.00 C ATOM 964 CE2 TYR A 66 21.027 10.021 0.275 1.00 0.00 C ATOM 965 CZ TYR A 66 21.865 10.998 0.769 1.00 0.00 C ATOM 966 OH TYR A 66 22.232 12.049 -0.031 1.00 0.00 O ATOM 0 H TYR A 66 18.891 6.400 5.267 1.00 0.00 H new ATOM 0 HA TYR A 66 20.209 8.974 4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.597 7.244 3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 66 20.192 6.965 2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 66 22.313 9.831 3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 66 20.007 8.204 0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 66 22.974 11.709 2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.662 10.081 -0.740 1.00 0.00 H new ATOM 0 HH TYR A 66 23.118 12.370 0.237 1.00 0.00 H new ATOM 976 N TRP A 67 18.255 9.799 3.620 1.00 0.00 N ATOM 977 CA TRP A 67 17.000 10.330 3.098 1.00 0.00 C ATOM 978 C TRP A 67 17.063 10.387 1.577 1.00 0.00 C ATOM 979 O TRP A 67 17.908 11.079 1.020 1.00 0.00 O ATOM 980 CB TRP A 67 16.707 11.723 3.666 1.00 0.00 C ATOM 981 CG TRP A 67 16.496 11.728 5.155 1.00 0.00 C ATOM 982 CD1 TRP A 67 15.295 11.740 5.808 1.00 0.00 C ATOM 983 CD2 TRP A 67 17.501 11.703 6.176 1.00 0.00 C ATOM 984 NE1 TRP A 67 15.493 11.740 7.160 1.00 0.00 N ATOM 985 CE2 TRP A 67 16.837 11.707 7.412 1.00 0.00 C ATOM 986 CE3 TRP A 67 18.911 11.667 6.161 1.00 0.00 C ATOM 987 CZ2 TRP A 67 17.525 11.683 8.629 1.00 0.00 C ATOM 988 CZ3 TRP A 67 19.588 11.642 7.367 1.00 0.00 C ATOM 989 CH2 TRP A 67 18.900 11.655 8.591 1.00 0.00 C ATOM 0 H TRP A 67 18.997 10.493 3.710 1.00 0.00 H new ATOM 0 HA TRP A 67 16.191 9.667 3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.535 12.389 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.819 12.126 3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 67 14.329 11.748 5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 67 14.758 11.761 7.867 1.00 0.00 H new ATOM 0 HE3 TRP A 67 19.452 11.659 5.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 16.994 11.686 9.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 20.668 11.612 7.367 1.00 0.00 H new ATOM 0 HH2 TRP A 67 19.458 11.643 9.516 1.00 0.00 H new ATOM 1000 N VAL A 68 16.198 9.659 0.929 1.00 0.00 N ATOM 1001 CA VAL A 68 16.234 9.532 -0.529 1.00 0.00 C ATOM 1002 C VAL A 68 14.954 10.106 -1.131 1.00 0.00 C ATOM 1003 O VAL A 68 14.088 10.595 -0.398 1.00 0.00 O ATOM 1004 CB VAL A 68 16.384 8.042 -0.935 1.00 0.00 C ATOM 1005 CG1 VAL A 68 17.145 7.918 -2.250 1.00 0.00 C ATOM 1006 CG2 VAL A 68 17.074 7.244 0.153 1.00 0.00 C ATOM 0 H VAL A 68 15.447 9.134 1.378 1.00 0.00 H new ATOM 0 HA VAL A 68 17.091 10.088 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 68 15.384 7.631 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.240 6.866 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.603 8.445 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.137 8.355 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.165 6.204 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.067 7.657 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.488 7.297 1.070 1.00 0.00 H new ATOM 1016 N HIS A 69 14.821 10.062 -2.445 1.00 0.00 N ATOM 1017 CA HIS A 69 13.595 10.481 -3.104 1.00 0.00 C ATOM 1018 C HIS A 69 12.795 9.254 -3.541 1.00 0.00 C ATOM 1019 O HIS A 69 13.340 8.297 -4.066 1.00 0.00 O ATOM 1020 CB HIS A 69 13.901 11.362 -4.328 1.00 0.00 C ATOM 1021 CG HIS A 69 14.565 12.664 -4.023 1.00 0.00 C ATOM 1022 ND1 HIS A 69 13.963 13.896 -4.220 1.00 0.00 N ATOM 1023 CD2 HIS A 69 15.803 12.952 -3.554 1.00 0.00 C ATOM 1024 CE1 HIS A 69 14.799 14.854 -3.900 1.00 0.00 C ATOM 1025 NE2 HIS A 69 15.925 14.308 -3.486 1.00 0.00 N ATOM 0 H HIS A 69 15.551 9.739 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 69 13.009 11.066 -2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.537 10.799 -5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.968 11.563 -4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.561 12.233 -3.282 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.599 15.913 -3.965 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.750 14.816 -3.168 1.00 0.00 H new ATOM 1034 N TRP A 70 11.481 9.299 -3.314 1.00 0.00 N ATOM 1035 CA TRP A 70 10.582 8.189 -3.665 1.00 0.00 C ATOM 1036 C TRP A 70 10.728 7.734 -5.114 1.00 0.00 C ATOM 1037 O TRP A 70 10.618 6.539 -5.404 1.00 0.00 O ATOM 1038 CB TRP A 70 9.118 8.575 -3.423 1.00 0.00 C ATOM 1039 CG TRP A 70 8.734 8.743 -1.982 1.00 0.00 C ATOM 1040 CD1 TRP A 70 8.583 9.913 -1.291 1.00 0.00 C ATOM 1041 CD2 TRP A 70 8.431 7.698 -1.037 1.00 0.00 C ATOM 1042 NE1 TRP A 70 8.210 9.660 -0.006 1.00 0.00 N ATOM 1043 CE2 TRP A 70 8.098 8.316 0.172 1.00 0.00 C ATOM 1044 CE3 TRP A 70 8.393 6.308 -1.131 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.751 7.580 1.297 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 8.040 5.580 -0.003 1.00 0.00 C ATOM 1047 CH2 TRP A 70 7.736 6.215 1.201 1.00 0.00 C ATOM 0 H TRP A 70 11.010 10.096 -2.886 1.00 0.00 H new ATOM 0 HA TRP A 70 10.872 7.361 -3.018 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.913 9.507 -3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.479 7.811 -3.867 1.00 0.00 H new ATOM 0 HD1 TRP A 70 8.738 10.898 -1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 70 8.041 10.367 0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 70 8.632 5.809 -2.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 7.499 8.072 2.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.000 4.502 -0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.486 5.622 2.068 1.00 0.00 H new ATOM 1058 N HIS A 71 10.968 8.669 -6.037 1.00 0.00 N ATOM 1059 CA HIS A 71 10.936 8.356 -7.464 1.00 0.00 C ATOM 1060 C HIS A 71 12.020 7.343 -7.874 1.00 0.00 C ATOM 1061 O HIS A 71 11.978 6.799 -8.973 1.00 0.00 O ATOM 1062 CB HIS A 71 11.086 9.633 -8.310 1.00 0.00 C ATOM 1063 CG HIS A 71 12.488 10.176 -8.387 1.00 0.00 C ATOM 1064 ND1 HIS A 71 13.193 10.979 -7.536 1.00 0.00 N flip ATOM 1065 CD2 HIS A 71 13.337 9.917 -9.438 1.00 0.00 C flip ATOM 1066 CE1 HIS A 71 14.435 11.181 -8.089 1.00 0.00 C flip ATOM 1067 NE2 HIS A 71 14.496 10.522 -9.246 1.00 0.00 N flip ATOM 0 H HIS A 71 11.185 9.642 -5.822 1.00 0.00 H new ATOM 0 HA HIS A 71 9.964 7.901 -7.653 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.735 9.426 -9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.435 10.404 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.092 9.308 -10.295 1.00 0.00 H new ATOM 0 HE1 HIS A 71 15.228 11.774 -7.658 1.00 0.00 H new ATOM 0 HE2 HIS A 71 15.299 10.490 -9.875 1.00 0.00 H new ATOM 1076 N MET A 72 12.996 7.107 -7.013 1.00 0.00 N ATOM 1077 CA MET A 72 14.095 6.230 -7.368 1.00 0.00 C ATOM 1078 C MET A 72 14.109 4.983 -6.482 1.00 0.00 C ATOM 1079 O MET A 72 15.086 4.228 -6.468 1.00 0.00 O ATOM 1080 CB MET A 72 15.433 6.975 -7.227 1.00 0.00 C ATOM 1081 CG MET A 72 15.751 7.418 -5.822 1.00 0.00 C ATOM 1082 SD MET A 72 16.214 9.161 -5.718 1.00 0.00 S ATOM 1083 CE MET A 72 17.523 9.259 -6.936 1.00 0.00 C ATOM 0 H MET A 72 13.049 7.505 -6.075 1.00 0.00 H new ATOM 0 HA MET A 72 13.958 5.920 -8.404 1.00 0.00 H new ATOM 0 HB2 MET A 72 16.235 6.328 -7.582 1.00 0.00 H new ATOM 0 HB3 MET A 72 15.419 7.850 -7.877 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.884 7.240 -5.186 1.00 0.00 H new ATOM 0 HG3 MET A 72 16.565 6.808 -5.430 1.00 0.00 H new ATOM 0 HE1 MET A 72 17.577 10.273 -7.331 1.00 0.00 H new ATOM 0 HE2 MET A 72 18.474 9.000 -6.470 1.00 0.00 H new ATOM 0 HE3 MET A 72 17.316 8.563 -7.749 1.00 0.00 H new ATOM 1093 N LEU A 73 13.016 4.760 -5.758 1.00 0.00 N ATOM 1094 CA LEU A 73 12.929 3.622 -4.859 1.00 0.00 C ATOM 1095 C LEU A 73 12.006 2.525 -5.404 1.00 0.00 C ATOM 1096 O LEU A 73 10.897 2.808 -5.864 1.00 0.00 O ATOM 1097 CB LEU A 73 12.445 4.069 -3.469 1.00 0.00 C ATOM 1098 CG LEU A 73 13.326 5.089 -2.763 1.00 0.00 C ATOM 1099 CD1 LEU A 73 12.791 5.392 -1.370 1.00 0.00 C ATOM 1100 CD2 LEU A 73 14.775 4.582 -2.657 1.00 0.00 C ATOM 0 H LEU A 73 12.185 5.351 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 73 13.932 3.202 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.444 4.488 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.359 3.188 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 73 13.313 6.003 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.436 6.124 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.781 5.794 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.772 4.476 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.385 5.328 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.794 3.651 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.173 4.407 -3.656 1.00 0.00 H new ATOM 1112 N GLU A 74 12.478 1.294 -5.345 1.00 0.00 N ATOM 1113 CA GLU A 74 11.688 0.138 -5.753 1.00 0.00 C ATOM 1114 C GLU A 74 11.105 -0.551 -4.527 1.00 0.00 C ATOM 1115 O GLU A 74 11.808 -0.780 -3.552 1.00 0.00 O ATOM 1116 CB GLU A 74 12.554 -0.855 -6.529 1.00 0.00 C ATOM 1117 CG GLU A 74 11.786 -2.065 -7.035 1.00 0.00 C ATOM 1118 CD GLU A 74 12.697 -3.157 -7.599 1.00 0.00 C ATOM 1119 OE1 GLU A 74 13.902 -2.901 -7.789 1.00 0.00 O ATOM 1120 OE2 GLU A 74 12.192 -4.270 -7.863 1.00 0.00 O ATOM 0 H GLU A 74 13.415 1.063 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 74 10.879 0.483 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.009 -0.343 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.368 -1.194 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.193 -2.479 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.087 -1.747 -7.808 1.00 0.00 H new ATOM 1127 N ILE A 75 9.829 -0.902 -4.610 1.00 0.00 N ATOM 1128 CA ILE A 75 9.175 -1.619 -3.534 1.00 0.00 C ATOM 1129 C ILE A 75 9.568 -3.095 -3.511 1.00 0.00 C ATOM 1130 O ILE A 75 9.448 -3.789 -4.528 1.00 0.00 O ATOM 1131 CB ILE A 75 7.641 -1.483 -3.610 1.00 0.00 C ATOM 1132 CG1 ILE A 75 6.979 -2.354 -2.537 1.00 0.00 C ATOM 1133 CG2 ILE A 75 7.121 -1.858 -4.994 1.00 0.00 C ATOM 1134 CD1 ILE A 75 5.467 -2.255 -2.518 1.00 0.00 C ATOM 0 H ILE A 75 9.231 -0.701 -5.411 1.00 0.00 H new ATOM 0 HA ILE A 75 9.517 -1.161 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 75 7.384 -0.439 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.264 -3.394 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.365 -2.066 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.036 -1.752 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.565 -1.199 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.389 -2.891 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.070 -2.899 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.172 -1.224 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.070 -2.571 -3.482 1.00 0.00 H new ATOM 1146 N LEU A 76 10.069 -3.551 -2.379 1.00 0.00 N ATOM 1147 CA LEU A 76 10.338 -4.973 -2.174 1.00 0.00 C ATOM 1148 C LEU A 76 9.508 -5.487 -0.998 1.00 0.00 C ATOM 1149 O LEU A 76 9.989 -5.606 0.114 1.00 0.00 O ATOM 1150 CB LEU A 76 11.829 -5.205 -1.903 1.00 0.00 C ATOM 1151 CG LEU A 76 12.792 -4.834 -3.034 1.00 0.00 C ATOM 1152 CD1 LEU A 76 14.230 -5.122 -2.615 1.00 0.00 C ATOM 1153 CD2 LEU A 76 12.444 -5.549 -4.330 1.00 0.00 C ATOM 0 H LEU A 76 10.301 -2.960 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 76 10.063 -5.517 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.108 -4.636 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.973 -6.259 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 76 12.691 -3.766 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.906 -4.854 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.476 -4.535 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.337 -6.183 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.151 -5.258 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.496 -6.627 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.435 -5.275 -4.637 1.00 0.00 H new ATOM 1165 N GLY A 77 8.244 -5.766 -1.261 1.00 0.00 N ATOM 1166 CA GLY A 77 7.355 -6.245 -0.219 1.00 0.00 C ATOM 1167 C GLY A 77 7.455 -7.749 -0.051 1.00 0.00 C ATOM 1168 O GLY A 77 6.889 -8.506 -0.844 1.00 0.00 O ATOM 0 H GLY A 77 7.813 -5.670 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.600 -5.755 0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.328 -5.972 -0.462 1.00 0.00 H new ATOM 1172 N PHE A 78 8.189 -8.185 0.962 1.00 0.00 N ATOM 1173 CA PHE A 78 8.320 -9.609 1.235 1.00 0.00 C ATOM 1174 C PHE A 78 7.144 -10.109 2.075 1.00 0.00 C ATOM 1175 O PHE A 78 7.120 -11.268 2.499 1.00 0.00 O ATOM 1176 CB PHE A 78 9.643 -9.913 1.938 1.00 0.00 C ATOM 1177 CG PHE A 78 10.852 -9.745 1.054 1.00 0.00 C ATOM 1178 CD1 PHE A 78 11.491 -8.507 0.933 1.00 0.00 C ATOM 1179 CD2 PHE A 78 11.343 -10.812 0.317 1.00 0.00 C ATOM 1180 CE1 PHE A 78 12.588 -8.353 0.102 1.00 0.00 C ATOM 1181 CE2 PHE A 78 12.441 -10.658 -0.520 1.00 0.00 C ATOM 1182 CZ PHE A 78 13.064 -9.424 -0.624 1.00 0.00 C ATOM 0 H PHE A 78 8.699 -7.579 1.604 1.00 0.00 H new ATOM 0 HA PHE A 78 8.313 -10.135 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.743 -9.258 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.618 -10.936 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.124 -7.660 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.865 -11.777 0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.072 -7.391 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 78 12.809 -11.499 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.920 -9.302 -1.272 1.00 0.00 H new ATOM 1192 N GLU A 79 6.191 -9.230 2.295 1.00 0.00 N ATOM 1193 CA GLU A 79 4.961 -9.616 2.947 1.00 0.00 C ATOM 1194 C GLU A 79 4.006 -10.247 1.934 1.00 0.00 C ATOM 1195 O GLU A 79 3.216 -9.546 1.302 1.00 0.00 O ATOM 1196 CB GLU A 79 4.297 -8.415 3.622 1.00 0.00 C ATOM 1197 CG GLU A 79 2.997 -8.757 4.329 1.00 0.00 C ATOM 1198 CD GLU A 79 2.386 -7.555 5.023 1.00 0.00 C ATOM 1199 OE1 GLU A 79 1.781 -6.721 4.331 1.00 0.00 O ATOM 1200 OE2 GLU A 79 2.528 -7.435 6.264 1.00 0.00 O ATOM 0 H GLU A 79 6.245 -8.246 2.032 1.00 0.00 H new ATOM 0 HA GLU A 79 5.199 -10.349 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.991 -7.985 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.102 -7.649 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.286 -9.156 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.180 -9.543 5.062 1.00 0.00 H new ATOM 1207 N GLU A 80 4.132 -11.561 1.776 1.00 0.00 N ATOM 1208 CA GLU A 80 3.345 -12.358 0.817 1.00 0.00 C ATOM 1209 C GLU A 80 3.094 -11.592 -0.488 1.00 0.00 C ATOM 1210 O GLU A 80 2.014 -11.066 -0.719 1.00 0.00 O ATOM 1211 CB GLU A 80 2.027 -12.849 1.457 1.00 0.00 C ATOM 1212 CG GLU A 80 1.199 -11.761 2.119 1.00 0.00 C ATOM 1213 CD GLU A 80 -0.044 -12.320 2.793 1.00 0.00 C ATOM 1214 OE1 GLU A 80 -1.029 -12.613 2.096 1.00 0.00 O ATOM 1215 OE2 GLU A 80 -0.016 -12.463 4.049 1.00 0.00 O ATOM 0 H GLU A 80 4.793 -12.119 2.316 1.00 0.00 H new ATOM 0 HA GLU A 80 3.933 -13.238 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.422 -13.329 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.262 -13.611 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.809 -11.241 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.905 -11.024 1.372 1.00 0.00 H new TER 1222 GLU A 80