USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 465 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 33 ASN : amide:sc= -3.85! C(o=-3.9!,f=-12!) USER MOD Set 1.2: A 34 GLN : amide:sc=-0.00712 X(o=-3.9,f=-3.6) USER MOD Single : A 1 LYS N :NH3+ 141:sc= 0.0534 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -5:sc= 0.316 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.025) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.666 F(o=-3.7!,f=-0.67) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -69:sc= -0.32 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 56:sc= 0.0151 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0976 USER MOD Single : A 55 THR OG1 : rot -113:sc= -2.67 USER MOD Single : A 57 THR OG1 : rot -140:sc=-0.00958 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.524 K(o=-0.52,f=-4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.510 9.538 8.230 1.00 0.00 N ATOM 2 CA LYS A 1 0.458 8.483 8.155 1.00 0.00 C ATOM 3 C LYS A 1 1.068 7.201 7.593 1.00 0.00 C ATOM 4 O LYS A 1 1.992 7.234 6.805 1.00 0.00 O ATOM 5 CB LYS A 1 -0.676 8.956 7.238 1.00 0.00 C ATOM 6 CG LYS A 1 -1.650 7.800 6.984 1.00 0.00 C ATOM 7 CD LYS A 1 -3.068 8.358 6.845 1.00 0.00 C ATOM 8 CE LYS A 1 -4.026 7.238 6.436 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.418 7.617 6.814 1.00 0.00 N ATOM 0 H1 LYS A 1 1.102 10.455 7.959 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.876 9.595 9.202 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.287 9.300 7.581 1.00 0.00 H new ATOM 0 HA LYS A 1 0.061 8.291 9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.202 9.794 7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.267 9.314 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.367 7.263 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.607 7.085 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.390 8.798 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.085 9.154 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.963 7.064 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.745 6.306 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.072 6.857 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.471 7.762 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.683 8.497 6.326 1.00 0.00 H new ATOM 25 N GLU A 2 0.564 6.067 7.996 1.00 0.00 N ATOM 26 CA GLU A 2 1.120 4.783 7.485 1.00 0.00 C ATOM 27 C GLU A 2 0.138 3.650 7.780 1.00 0.00 C ATOM 28 O GLU A 2 -0.615 3.703 8.731 1.00 0.00 O ATOM 29 CB GLU A 2 2.449 4.486 8.180 1.00 0.00 C ATOM 30 CG GLU A 2 2.209 4.265 9.676 1.00 0.00 C ATOM 31 CD GLU A 2 3.536 3.923 10.360 1.00 0.00 C ATOM 32 OE1 GLU A 2 4.260 4.844 10.696 1.00 0.00 O ATOM 33 OE2 GLU A 2 3.804 2.745 10.537 1.00 0.00 O ATOM 0 H GLU A 2 -0.208 5.974 8.656 1.00 0.00 H new ATOM 0 HA GLU A 2 1.279 4.863 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.911 3.602 7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.142 5.314 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.778 5.161 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.492 3.458 9.825 1.00 0.00 H new ATOM 40 N GLY A 3 0.142 2.618 6.978 1.00 0.00 N ATOM 41 CA GLY A 3 -0.790 1.487 7.228 1.00 0.00 C ATOM 42 C GLY A 3 -0.770 0.533 6.036 1.00 0.00 C ATOM 43 O GLY A 3 0.178 0.488 5.279 1.00 0.00 O ATOM 0 H GLY A 3 0.749 2.512 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.500 0.957 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.800 1.864 7.388 1.00 0.00 H new ATOM 47 N TYR A 4 -1.812 -0.229 5.865 1.00 0.00 N ATOM 48 CA TYR A 4 -1.860 -1.183 4.725 1.00 0.00 C ATOM 49 C TYR A 4 -2.031 -0.408 3.417 1.00 0.00 C ATOM 50 O TYR A 4 -2.270 0.784 3.416 1.00 0.00 O ATOM 51 CB TYR A 4 -3.042 -2.134 4.916 1.00 0.00 C ATOM 52 CG TYR A 4 -2.766 -3.048 6.082 1.00 0.00 C ATOM 53 CD1 TYR A 4 -1.519 -3.675 6.197 1.00 0.00 C ATOM 54 CD2 TYR A 4 -3.754 -3.270 7.048 1.00 0.00 C ATOM 55 CE1 TYR A 4 -1.261 -4.526 7.280 1.00 0.00 C ATOM 56 CE2 TYR A 4 -3.497 -4.121 8.129 1.00 0.00 C ATOM 57 CZ TYR A 4 -2.250 -4.749 8.245 1.00 0.00 C ATOM 58 OH TYR A 4 -1.997 -5.588 9.311 1.00 0.00 O ATOM 0 H TYR A 4 -2.635 -0.232 6.468 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.933 -1.755 4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.955 -1.566 5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.202 -2.720 4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.757 -3.503 5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.715 -2.785 6.959 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -0.300 -5.010 7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.260 -4.294 8.874 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.117 -6.004 9.198 1.00 0.00 H new ATOM 68 N LEU A 5 -1.903 -1.074 2.301 1.00 0.00 N ATOM 69 CA LEU A 5 -2.054 -0.370 0.995 1.00 0.00 C ATOM 70 C LEU A 5 -3.479 -0.555 0.467 1.00 0.00 C ATOM 71 O LEU A 5 -4.379 -0.946 1.185 1.00 0.00 O ATOM 72 CB LEU A 5 -1.068 -0.954 -0.028 1.00 0.00 C ATOM 73 CG LEU A 5 0.365 -0.894 0.514 1.00 0.00 C ATOM 74 CD1 LEU A 5 1.347 -1.053 -0.649 1.00 0.00 C ATOM 75 CD2 LEU A 5 0.605 0.454 1.193 1.00 0.00 C ATOM 0 H LEU A 5 -1.701 -2.072 2.237 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.849 0.690 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.336 -1.987 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.133 -0.398 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 5 0.512 -1.695 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.368 -1.011 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.180 -2.013 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.193 -0.248 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.625 0.492 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.459 1.257 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.097 0.576 2.017 1.00 0.00 H new ATOM 87 N VAL A 6 -3.679 -0.279 -0.792 1.00 0.00 N ATOM 88 CA VAL A 6 -5.028 -0.437 -1.399 1.00 0.00 C ATOM 89 C VAL A 6 -4.850 -0.738 -2.891 1.00 0.00 C ATOM 90 O VAL A 6 -3.748 -0.716 -3.403 1.00 0.00 O ATOM 91 CB VAL A 6 -5.829 0.859 -1.218 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.207 1.976 -2.059 1.00 0.00 C ATOM 93 CG2 VAL A 6 -7.270 0.632 -1.668 1.00 0.00 C ATOM 0 H VAL A 6 -2.957 0.053 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.568 -1.251 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.812 1.147 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.780 2.894 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.178 2.142 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.219 1.690 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.840 1.552 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.282 0.341 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.718 -0.159 -1.067 1.00 0.00 H new ATOM 103 N LYS A 7 -5.908 -1.028 -3.596 1.00 0.00 N ATOM 104 CA LYS A 7 -5.757 -1.333 -5.045 1.00 0.00 C ATOM 105 C LYS A 7 -6.726 -0.522 -5.863 1.00 0.00 C ATOM 106 O LYS A 7 -7.472 0.299 -5.340 1.00 0.00 O ATOM 107 CB LYS A 7 -6.020 -2.813 -5.289 1.00 0.00 C ATOM 108 CG LYS A 7 -4.956 -3.651 -4.573 1.00 0.00 C ATOM 109 CD LYS A 7 -5.312 -5.137 -4.685 1.00 0.00 C ATOM 110 CE LYS A 7 -5.685 -5.464 -6.133 1.00 0.00 C ATOM 111 NZ LYS A 7 -5.416 -6.903 -6.405 1.00 0.00 N ATOM 0 H LYS A 7 -6.861 -1.067 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.740 -1.080 -5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.012 -3.081 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.004 -3.024 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.976 -3.467 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.894 -3.359 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.468 -5.749 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.144 -5.374 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.738 -5.241 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.110 -4.840 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.670 -7.124 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.406 -7.102 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.984 -7.490 -5.761 1.00 0.00 H new ATOM 125 N LYS A 8 -6.699 -0.758 -7.168 1.00 0.00 N ATOM 126 CA LYS A 8 -7.578 -0.028 -8.131 1.00 0.00 C ATOM 127 C LYS A 8 -8.565 0.841 -7.393 1.00 0.00 C ATOM 128 O LYS A 8 -9.426 0.355 -6.724 1.00 0.00 O ATOM 129 CB LYS A 8 -8.334 -1.036 -8.998 1.00 0.00 C ATOM 130 CG LYS A 8 -7.404 -1.557 -10.096 1.00 0.00 C ATOM 131 CD LYS A 8 -8.123 -1.500 -11.445 1.00 0.00 C ATOM 132 CE LYS A 8 -9.098 -2.673 -11.556 1.00 0.00 C ATOM 133 NZ LYS A 8 -8.489 -3.747 -12.391 1.00 0.00 N ATOM 0 H LYS A 8 -6.085 -1.446 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.955 0.607 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.692 -1.864 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.211 -0.565 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.494 -0.957 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.102 -2.581 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.660 -0.557 -11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.397 -1.539 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.334 -3.058 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.036 -2.340 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.151 -4.545 -12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.285 -3.375 -13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.605 -4.071 -11.949 1.00 0.00 H new ATOM 147 N SER A 9 -8.369 2.129 -7.504 1.00 0.00 N ATOM 148 CA SER A 9 -9.228 3.179 -6.820 1.00 0.00 C ATOM 149 C SER A 9 -10.523 2.602 -6.232 1.00 0.00 C ATOM 150 O SER A 9 -10.932 2.978 -5.151 1.00 0.00 O ATOM 151 CB SER A 9 -9.592 4.261 -7.839 1.00 0.00 C ATOM 152 OG SER A 9 -10.374 3.684 -8.878 1.00 0.00 O ATOM 0 H SER A 9 -7.616 2.526 -8.065 1.00 0.00 H new ATOM 0 HA SER A 9 -8.646 3.585 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.147 5.063 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.687 4.706 -8.253 1.00 0.00 H new ATOM 0 HG SER A 9 -10.610 4.375 -9.532 1.00 0.00 H new ATOM 158 N ASP A 10 -11.165 1.701 -6.921 1.00 0.00 N ATOM 159 CA ASP A 10 -12.425 1.100 -6.394 1.00 0.00 C ATOM 160 C ASP A 10 -12.286 0.856 -4.887 1.00 0.00 C ATOM 161 O ASP A 10 -13.263 0.830 -4.167 1.00 0.00 O ATOM 162 CB ASP A 10 -12.704 -0.228 -7.104 1.00 0.00 C ATOM 163 CG ASP A 10 -11.482 -1.136 -6.992 1.00 0.00 C ATOM 164 OD1 ASP A 10 -11.087 -1.428 -5.874 1.00 0.00 O ATOM 165 OD2 ASP A 10 -10.959 -1.522 -8.024 1.00 0.00 O ATOM 0 H ASP A 10 -10.870 1.352 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.253 1.785 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.573 -0.714 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.941 -0.048 -8.153 1.00 0.00 H new ATOM 170 N GLY A 11 -11.076 0.692 -4.397 1.00 0.00 N ATOM 171 CA GLY A 11 -10.892 0.476 -2.932 1.00 0.00 C ATOM 172 C GLY A 11 -10.807 -1.018 -2.617 1.00 0.00 C ATOM 173 O GLY A 11 -11.808 -1.698 -2.498 1.00 0.00 O ATOM 0 H GLY A 11 -10.217 0.699 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.984 0.977 -2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.723 0.922 -2.386 1.00 0.00 H new ATOM 177 N CYS A 12 -9.613 -1.532 -2.478 1.00 0.00 N ATOM 178 CA CYS A 12 -9.451 -2.975 -2.166 1.00 0.00 C ATOM 179 C CYS A 12 -8.080 -3.217 -1.522 1.00 0.00 C ATOM 180 O CYS A 12 -7.064 -2.771 -2.011 1.00 0.00 O ATOM 181 CB CYS A 12 -9.558 -3.767 -3.454 1.00 0.00 C ATOM 182 SG CYS A 12 -11.306 -4.047 -3.844 1.00 0.00 S ATOM 0 H CYS A 12 -8.742 -1.009 -2.568 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.228 -3.292 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.074 -3.226 -4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.039 -4.720 -3.352 1.00 0.00 H new ATOM 187 N LYS A 13 -8.052 -3.921 -0.422 1.00 0.00 N ATOM 188 CA LYS A 13 -6.756 -4.199 0.270 1.00 0.00 C ATOM 189 C LYS A 13 -5.712 -4.692 -0.737 1.00 0.00 C ATOM 190 O LYS A 13 -6.035 -5.181 -1.802 1.00 0.00 O ATOM 191 CB LYS A 13 -6.976 -5.275 1.336 1.00 0.00 C ATOM 192 CG LYS A 13 -7.328 -4.612 2.665 1.00 0.00 C ATOM 193 CD LYS A 13 -8.108 -5.599 3.531 1.00 0.00 C ATOM 194 CE LYS A 13 -8.216 -5.050 4.954 1.00 0.00 C ATOM 195 NZ LYS A 13 -9.028 -5.981 5.786 1.00 0.00 N ATOM 0 H LYS A 13 -8.875 -4.318 0.031 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.396 -3.281 0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.778 -5.947 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.077 -5.881 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.420 -4.298 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.922 -3.715 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.103 -5.758 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.607 -6.567 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.222 -4.932 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.677 -4.062 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.101 -5.607 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.980 -6.072 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.571 -6.915 5.809 1.00 0.00 H new ATOM 209 N TYR A 14 -4.457 -4.562 -0.398 1.00 0.00 N ATOM 210 CA TYR A 14 -3.380 -5.005 -1.306 1.00 0.00 C ATOM 211 C TYR A 14 -2.656 -6.203 -0.669 1.00 0.00 C ATOM 212 O TYR A 14 -2.272 -6.157 0.481 1.00 0.00 O ATOM 213 CB TYR A 14 -2.407 -3.845 -1.465 1.00 0.00 C ATOM 214 CG TYR A 14 -1.807 -3.818 -2.855 1.00 0.00 C ATOM 215 CD1 TYR A 14 -1.986 -4.893 -3.741 1.00 0.00 C ATOM 216 CD2 TYR A 14 -1.067 -2.699 -3.257 1.00 0.00 C ATOM 217 CE1 TYR A 14 -1.425 -4.840 -5.022 1.00 0.00 C ATOM 218 CE2 TYR A 14 -0.507 -2.651 -4.536 1.00 0.00 C ATOM 219 CZ TYR A 14 -0.687 -3.720 -5.420 1.00 0.00 C ATOM 220 OH TYR A 14 -0.133 -3.670 -6.681 1.00 0.00 O ATOM 0 H TYR A 14 -4.136 -4.161 0.483 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.779 -5.302 -2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.923 -2.905 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.612 -3.930 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.555 -5.758 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.929 -1.871 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.562 -5.665 -5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.065 -1.788 -4.842 1.00 0.00 H new ATOM 0 HH TYR A 14 0.346 -2.822 -6.795 1.00 0.00 H new ATOM 230 N ASP A 15 -2.473 -7.277 -1.393 1.00 0.00 N ATOM 231 CA ASP A 15 -1.787 -8.457 -0.787 1.00 0.00 C ATOM 232 C ASP A 15 -0.319 -8.516 -1.234 1.00 0.00 C ATOM 233 O ASP A 15 0.104 -7.833 -2.145 1.00 0.00 O ATOM 234 CB ASP A 15 -2.527 -9.749 -1.198 1.00 0.00 C ATOM 235 CG ASP A 15 -1.571 -10.952 -1.208 1.00 0.00 C ATOM 236 OD1 ASP A 15 -0.695 -10.979 -2.056 1.00 0.00 O ATOM 237 OD2 ASP A 15 -1.734 -11.820 -0.368 1.00 0.00 O ATOM 0 H ASP A 15 -2.764 -7.388 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.807 -8.361 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.348 -9.938 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.967 -9.621 -2.187 1.00 0.00 H new ATOM 242 N CYS A 16 0.443 -9.345 -0.578 1.00 0.00 N ATOM 243 CA CYS A 16 1.882 -9.504 -0.912 1.00 0.00 C ATOM 244 C CYS A 16 2.326 -10.920 -0.520 1.00 0.00 C ATOM 245 O CYS A 16 2.219 -11.319 0.623 1.00 0.00 O ATOM 246 CB CYS A 16 2.692 -8.469 -0.136 1.00 0.00 C ATOM 247 SG CYS A 16 2.272 -8.554 1.624 1.00 0.00 S ATOM 0 H CYS A 16 0.120 -9.931 0.192 1.00 0.00 H new ATOM 0 HA CYS A 16 2.042 -9.356 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.758 -8.650 -0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.486 -7.470 -0.520 1.00 0.00 H new ATOM 252 N PHE A 17 2.803 -11.690 -1.465 1.00 0.00 N ATOM 253 CA PHE A 17 3.230 -13.088 -1.148 1.00 0.00 C ATOM 254 C PHE A 17 4.573 -13.084 -0.408 1.00 0.00 C ATOM 255 O PHE A 17 4.618 -13.056 0.801 1.00 0.00 O ATOM 256 CB PHE A 17 3.359 -13.883 -2.448 1.00 0.00 C ATOM 257 CG PHE A 17 3.825 -15.287 -2.140 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.007 -16.153 -1.400 1.00 0.00 C ATOM 259 CD2 PHE A 17 5.071 -15.725 -2.599 1.00 0.00 C ATOM 260 CE1 PHE A 17 3.439 -17.456 -1.120 1.00 0.00 C ATOM 261 CE2 PHE A 17 5.503 -17.027 -2.319 1.00 0.00 C ATOM 262 CZ PHE A 17 4.688 -17.892 -1.579 1.00 0.00 C ATOM 0 H PHE A 17 2.915 -11.413 -2.440 1.00 0.00 H new ATOM 0 HA PHE A 17 2.481 -13.551 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.400 -13.913 -2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.066 -13.393 -3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.044 -15.816 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.701 -15.059 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.809 -18.124 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.466 -17.364 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.023 -18.896 -1.362 1.00 0.00 H new ATOM 272 N TRP A 18 5.666 -13.130 -1.119 1.00 0.00 N ATOM 273 CA TRP A 18 6.995 -13.147 -0.438 1.00 0.00 C ATOM 274 C TRP A 18 7.016 -12.105 0.687 1.00 0.00 C ATOM 275 O TRP A 18 6.880 -10.920 0.456 1.00 0.00 O ATOM 276 CB TRP A 18 8.097 -12.830 -1.452 1.00 0.00 C ATOM 277 CG TRP A 18 9.427 -12.841 -0.772 1.00 0.00 C ATOM 278 CD1 TRP A 18 10.406 -11.946 -1.002 1.00 0.00 C ATOM 279 CD2 TRP A 18 9.946 -13.770 0.233 1.00 0.00 C ATOM 280 NE1 TRP A 18 11.494 -12.253 -0.204 1.00 0.00 N ATOM 281 CE2 TRP A 18 11.259 -13.369 0.575 1.00 0.00 C ATOM 282 CE3 TRP A 18 9.414 -14.909 0.877 1.00 0.00 C ATOM 283 CZ2 TRP A 18 12.015 -14.065 1.517 1.00 0.00 C ATOM 284 CZ3 TRP A 18 10.177 -15.612 1.827 1.00 0.00 C ATOM 285 CH2 TRP A 18 11.476 -15.188 2.145 1.00 0.00 C ATOM 0 H TRP A 18 5.698 -13.157 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 18 7.167 -14.136 -0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.084 -13.563 -2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 18 7.918 -11.855 -1.905 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.351 -11.121 -1.697 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.364 -11.720 -0.192 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.415 -15.242 0.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 13.015 -13.736 1.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 9.761 -16.482 2.314 1.00 0.00 H new ATOM 0 HH2 TRP A 18 12.058 -15.730 2.875 1.00 0.00 H new ATOM 296 N LEU A 19 7.186 -12.542 1.907 1.00 0.00 N ATOM 297 CA LEU A 19 7.213 -11.582 3.048 1.00 0.00 C ATOM 298 C LEU A 19 8.666 -11.326 3.474 1.00 0.00 C ATOM 299 O LEU A 19 9.489 -12.220 3.486 1.00 0.00 O ATOM 300 CB LEU A 19 6.430 -12.168 4.229 1.00 0.00 C ATOM 301 CG LEU A 19 5.068 -12.668 3.745 1.00 0.00 C ATOM 302 CD1 LEU A 19 5.026 -14.196 3.816 1.00 0.00 C ATOM 303 CD2 LEU A 19 3.968 -12.084 4.634 1.00 0.00 C ATOM 0 H LEU A 19 7.307 -13.522 2.162 1.00 0.00 H new ATOM 0 HA LEU A 19 6.756 -10.642 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.990 -12.987 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.297 -11.411 5.002 1.00 0.00 H new ATOM 0 HG LEU A 19 4.911 -12.351 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.055 -14.550 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.810 -14.611 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.184 -14.517 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.996 -12.439 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.127 -12.401 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.996 -10.996 4.580 1.00 0.00 H new ATOM 315 N GLY A 20 8.982 -10.107 3.822 1.00 0.00 N ATOM 316 CA GLY A 20 10.377 -9.783 4.248 1.00 0.00 C ATOM 317 C GLY A 20 10.518 -8.268 4.419 1.00 0.00 C ATOM 318 O GLY A 20 9.557 -7.531 4.305 1.00 0.00 O ATOM 0 H GLY A 20 8.334 -9.320 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.610 -10.289 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.089 -10.144 3.506 1.00 0.00 H new ATOM 322 N LYS A 21 11.706 -7.792 4.693 1.00 0.00 N ATOM 323 CA LYS A 21 11.891 -6.320 4.867 1.00 0.00 C ATOM 324 C LYS A 21 12.352 -5.706 3.549 1.00 0.00 C ATOM 325 O LYS A 21 13.238 -4.874 3.509 1.00 0.00 O ATOM 326 CB LYS A 21 12.934 -6.048 5.957 1.00 0.00 C ATOM 327 CG LYS A 21 14.303 -6.559 5.506 1.00 0.00 C ATOM 328 CD LYS A 21 15.337 -6.262 6.593 1.00 0.00 C ATOM 329 CE LYS A 21 16.367 -7.391 6.643 1.00 0.00 C ATOM 330 NZ LYS A 21 17.737 -6.815 6.546 1.00 0.00 N ATOM 0 H LYS A 21 12.550 -8.354 4.803 1.00 0.00 H new ATOM 0 HA LYS A 21 10.943 -5.872 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.985 -4.979 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.640 -6.539 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.258 -7.631 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.593 -6.079 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.832 -5.313 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.844 -6.162 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.262 -7.953 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.196 -8.091 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.439 -7.582 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.833 -6.297 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.897 -6.164 7.341 1.00 0.00 H new ATOM 344 N ASN A 22 11.748 -6.110 2.471 1.00 0.00 N ATOM 345 CA ASN A 22 12.129 -5.557 1.142 1.00 0.00 C ATOM 346 C ASN A 22 11.114 -6.026 0.097 1.00 0.00 C ATOM 347 O ASN A 22 11.436 -6.782 -0.797 1.00 0.00 O ATOM 348 CB ASN A 22 13.523 -6.052 0.757 1.00 0.00 C ATOM 349 CG ASN A 22 14.357 -4.877 0.242 1.00 0.00 C ATOM 350 OD1 ASN A 22 14.718 -4.833 -0.918 1.00 0.00 O ATOM 351 ND2 ASN A 22 14.676 -3.915 1.064 1.00 0.00 N ATOM 0 H ASN A 22 11.001 -6.804 2.451 1.00 0.00 H new ATOM 0 HA ASN A 22 12.137 -4.468 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.010 -6.507 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.448 -6.823 -0.010 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.229 -3.124 0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.372 -3.954 2.037 1.00 0.00 H new ATOM 358 N GLU A 23 9.889 -5.589 0.207 1.00 0.00 N ATOM 359 CA GLU A 23 8.854 -6.016 -0.776 1.00 0.00 C ATOM 360 C GLU A 23 8.894 -5.099 -2.000 1.00 0.00 C ATOM 361 O GLU A 23 9.217 -3.924 -1.907 1.00 0.00 O ATOM 362 CB GLU A 23 7.467 -5.937 -0.127 1.00 0.00 C ATOM 363 CG GLU A 23 6.499 -6.876 -0.858 1.00 0.00 C ATOM 364 CD GLU A 23 6.737 -8.319 -0.404 1.00 0.00 C ATOM 365 OE1 GLU A 23 7.507 -8.510 0.524 1.00 0.00 O ATOM 366 OE2 GLU A 23 6.144 -9.209 -0.991 1.00 0.00 O ATOM 0 H GLU A 23 9.561 -4.955 0.935 1.00 0.00 H new ATOM 0 HA GLU A 23 9.055 -7.042 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.531 -6.213 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.095 -4.913 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.469 -6.585 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.643 -6.795 -1.935 1.00 0.00 H new ATOM 373 N HIS A 24 8.566 -5.620 -3.150 1.00 0.00 N ATOM 374 CA HIS A 24 8.581 -4.776 -4.368 1.00 0.00 C ATOM 375 C HIS A 24 7.505 -3.701 -4.238 1.00 0.00 C ATOM 376 O HIS A 24 7.704 -2.570 -4.618 1.00 0.00 O ATOM 377 CB HIS A 24 8.320 -5.644 -5.601 1.00 0.00 C ATOM 378 CG HIS A 24 9.519 -6.523 -5.842 1.00 0.00 C ATOM 379 ND1 HIS A 24 9.418 -7.771 -6.439 1.00 0.00 N ATOM 380 CD2 HIS A 24 10.852 -6.348 -5.563 1.00 0.00 C ATOM 381 CE1 HIS A 24 10.659 -8.293 -6.497 1.00 0.00 C ATOM 382 NE2 HIS A 24 11.569 -7.465 -5.977 1.00 0.00 N ATOM 0 H HIS A 24 8.290 -6.591 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 24 9.555 -4.300 -4.480 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.429 -6.254 -5.451 1.00 0.00 H new ATOM 0 HB3 HIS A 24 8.132 -5.015 -6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 24 11.279 -5.475 -5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 24 10.890 -9.263 -6.913 1.00 0.00 H new ATOM 0 HE2 HIS A 24 12.574 -7.619 -5.900 1.00 0.00 H new ATOM 390 N CYS A 25 6.370 -4.032 -3.682 1.00 0.00 N ATOM 391 CA CYS A 25 5.315 -2.997 -3.521 1.00 0.00 C ATOM 392 C CYS A 25 5.895 -1.849 -2.693 1.00 0.00 C ATOM 393 O CYS A 25 5.398 -0.740 -2.708 1.00 0.00 O ATOM 394 CB CYS A 25 4.082 -3.600 -2.823 1.00 0.00 C ATOM 395 SG CYS A 25 4.387 -3.796 -1.048 1.00 0.00 S ATOM 0 H CYS A 25 6.132 -4.962 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 25 4.998 -2.626 -4.496 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.217 -2.956 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.843 -4.567 -3.266 1.00 0.00 H new ATOM 400 N ASN A 26 6.966 -2.109 -1.984 1.00 0.00 N ATOM 401 CA ASN A 26 7.607 -1.038 -1.171 1.00 0.00 C ATOM 402 C ASN A 26 8.207 -0.004 -2.120 1.00 0.00 C ATOM 403 O ASN A 26 7.938 1.178 -2.020 1.00 0.00 O ATOM 404 CB ASN A 26 8.719 -1.644 -0.302 1.00 0.00 C ATOM 405 CG ASN A 26 9.328 -0.564 0.605 1.00 0.00 C ATOM 406 OD1 ASN A 26 8.775 0.619 0.673 1.00 0.00 O flip ATOM 407 ND2 ASN A 26 10.323 -0.802 1.261 1.00 0.00 N flip ATOM 0 H ASN A 26 7.422 -3.020 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 26 6.867 -0.568 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.316 -2.455 0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.493 -2.076 -0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.758 -1.723 1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.723 -0.081 1.861 1.00 0.00 H new ATOM 414 N THR A 27 9.015 -0.438 -3.054 1.00 0.00 N ATOM 415 CA THR A 27 9.615 0.534 -4.013 1.00 0.00 C ATOM 416 C THR A 27 8.482 1.245 -4.762 1.00 0.00 C ATOM 417 O THR A 27 8.584 2.405 -5.114 1.00 0.00 O ATOM 418 CB THR A 27 10.541 -0.199 -5.009 1.00 0.00 C ATOM 419 OG1 THR A 27 11.488 0.722 -5.529 1.00 0.00 O ATOM 420 CG2 THR A 27 9.728 -0.791 -6.165 1.00 0.00 C ATOM 0 H THR A 27 9.282 -1.413 -3.192 1.00 0.00 H new ATOM 0 HA THR A 27 10.214 1.266 -3.471 1.00 0.00 H new ATOM 0 HB THR A 27 11.050 -1.009 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.079 0.262 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.398 -1.303 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.000 -1.501 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.207 0.009 -6.691 1.00 0.00 H new ATOM 428 N GLU A 28 7.391 0.557 -4.994 1.00 0.00 N ATOM 429 CA GLU A 28 6.244 1.192 -5.703 1.00 0.00 C ATOM 430 C GLU A 28 5.793 2.414 -4.906 1.00 0.00 C ATOM 431 O GLU A 28 5.416 3.427 -5.459 1.00 0.00 O ATOM 432 CB GLU A 28 5.084 0.196 -5.808 1.00 0.00 C ATOM 433 CG GLU A 28 4.827 -0.149 -7.279 1.00 0.00 C ATOM 434 CD GLU A 28 4.940 -1.663 -7.476 1.00 0.00 C ATOM 435 OE1 GLU A 28 4.260 -2.384 -6.766 1.00 0.00 O ATOM 436 OE2 GLU A 28 5.704 -2.074 -8.334 1.00 0.00 O ATOM 0 H GLU A 28 7.248 -0.416 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 28 6.549 1.490 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.318 -0.709 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.185 0.622 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.836 0.194 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.547 0.366 -7.915 1.00 0.00 H new ATOM 443 N CYS A 29 5.838 2.326 -3.604 1.00 0.00 N ATOM 444 CA CYS A 29 5.424 3.483 -2.765 1.00 0.00 C ATOM 445 C CYS A 29 6.305 4.684 -3.113 1.00 0.00 C ATOM 446 O CYS A 29 5.862 5.815 -3.110 1.00 0.00 O ATOM 447 CB CYS A 29 5.607 3.129 -1.285 1.00 0.00 C ATOM 448 SG CYS A 29 4.021 3.279 -0.421 1.00 0.00 S ATOM 0 H CYS A 29 6.144 1.502 -3.087 1.00 0.00 H new ATOM 0 HA CYS A 29 4.377 3.723 -2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.990 2.113 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.344 3.792 -0.831 1.00 0.00 H new ATOM 453 N LYS A 30 7.553 4.447 -3.414 1.00 0.00 N ATOM 454 CA LYS A 30 8.464 5.575 -3.761 1.00 0.00 C ATOM 455 C LYS A 30 7.948 6.283 -5.014 1.00 0.00 C ATOM 456 O LYS A 30 8.161 7.464 -5.202 1.00 0.00 O ATOM 457 CB LYS A 30 9.870 5.035 -4.028 1.00 0.00 C ATOM 458 CG LYS A 30 10.900 6.122 -3.718 1.00 0.00 C ATOM 459 CD LYS A 30 11.293 6.047 -2.241 1.00 0.00 C ATOM 460 CE LYS A 30 11.626 7.450 -1.731 1.00 0.00 C ATOM 461 NZ LYS A 30 13.083 7.708 -1.905 1.00 0.00 N ATOM 0 H LYS A 30 7.981 3.521 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 30 8.496 6.280 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.057 4.156 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.959 4.720 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.781 5.993 -4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.487 7.105 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.477 5.620 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.153 5.389 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.046 8.194 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.353 7.541 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.310 8.662 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.627 7.005 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.330 7.638 -2.913 1.00 0.00 H new ATOM 475 N ALA A 31 7.273 5.568 -5.872 1.00 0.00 N ATOM 476 CA ALA A 31 6.742 6.197 -7.117 1.00 0.00 C ATOM 477 C ALA A 31 6.158 7.574 -6.792 1.00 0.00 C ATOM 478 O ALA A 31 5.905 7.898 -5.649 1.00 0.00 O ATOM 479 CB ALA A 31 5.647 5.308 -7.708 1.00 0.00 C ATOM 0 H ALA A 31 7.066 4.575 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 31 7.552 6.310 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.258 5.766 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.062 4.328 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.840 5.196 -6.984 1.00 0.00 H new ATOM 485 N LYS A 32 5.949 8.390 -7.790 1.00 0.00 N ATOM 486 CA LYS A 32 5.390 9.751 -7.540 1.00 0.00 C ATOM 487 C LYS A 32 3.867 9.671 -7.403 1.00 0.00 C ATOM 488 O LYS A 32 3.187 10.677 -7.368 1.00 0.00 O ATOM 489 CB LYS A 32 5.747 10.673 -8.710 1.00 0.00 C ATOM 490 CG LYS A 32 5.091 10.152 -9.992 1.00 0.00 C ATOM 491 CD LYS A 32 3.916 11.059 -10.375 1.00 0.00 C ATOM 492 CE LYS A 32 2.644 10.218 -10.514 1.00 0.00 C ATOM 493 NZ LYS A 32 1.449 11.109 -10.479 1.00 0.00 N ATOM 0 H LYS A 32 6.141 8.173 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 32 5.814 10.148 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.409 11.688 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.829 10.717 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.821 10.125 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.741 9.130 -9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.775 11.828 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.130 11.572 -11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.666 9.659 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.589 9.487 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.586 10.536 -10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.426 11.623 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.500 11.790 -11.264 1.00 0.00 H new ATOM 507 N ASN A 33 3.325 8.486 -7.326 1.00 0.00 N ATOM 508 CA ASN A 33 1.844 8.349 -7.193 1.00 0.00 C ATOM 509 C ASN A 33 1.463 8.343 -5.709 1.00 0.00 C ATOM 510 O ASN A 33 0.335 8.615 -5.346 1.00 0.00 O ATOM 511 CB ASN A 33 1.399 7.036 -7.840 1.00 0.00 C ATOM 512 CG ASN A 33 2.197 5.881 -7.235 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.466 5.871 -6.052 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.590 4.901 -8.001 1.00 0.00 N ATOM 0 H ASN A 33 3.842 7.607 -7.349 1.00 0.00 H new ATOM 0 HA ASN A 33 1.353 9.186 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.332 6.880 -7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.556 7.077 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.123 4.127 -7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.364 4.909 -8.996 1.00 0.00 H new ATOM 521 N GLN A 34 2.395 8.034 -4.852 1.00 0.00 N ATOM 522 CA GLN A 34 2.094 8.010 -3.391 1.00 0.00 C ATOM 523 C GLN A 34 3.020 8.989 -2.671 1.00 0.00 C ATOM 524 O GLN A 34 2.578 9.863 -1.951 1.00 0.00 O ATOM 525 CB GLN A 34 2.325 6.600 -2.851 1.00 0.00 C ATOM 526 CG GLN A 34 0.976 5.957 -2.525 1.00 0.00 C ATOM 527 CD GLN A 34 1.041 4.452 -2.789 1.00 0.00 C ATOM 528 OE1 GLN A 34 1.124 4.024 -3.923 1.00 0.00 O ATOM 529 NE2 GLN A 34 1.003 3.623 -1.781 1.00 0.00 N ATOM 0 H GLN A 34 3.355 7.796 -5.100 1.00 0.00 H new ATOM 0 HA GLN A 34 1.056 8.298 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.859 5.999 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.948 6.638 -1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.718 6.142 -1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.192 6.408 -3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.933 3.981 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.043 2.617 -1.946 1.00 0.00 H new ATOM 538 N GLY A 35 4.303 8.854 -2.861 1.00 0.00 N ATOM 539 CA GLY A 35 5.260 9.777 -2.190 1.00 0.00 C ATOM 540 C GLY A 35 5.628 9.213 -0.819 1.00 0.00 C ATOM 541 O GLY A 35 5.984 9.939 0.088 1.00 0.00 O ATOM 0 H GLY A 35 4.731 8.142 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.156 9.896 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.814 10.766 -2.082 1.00 0.00 H new ATOM 545 N GLY A 36 5.548 7.920 -0.664 1.00 0.00 N ATOM 546 CA GLY A 36 5.895 7.301 0.646 1.00 0.00 C ATOM 547 C GLY A 36 7.413 7.309 0.829 1.00 0.00 C ATOM 548 O GLY A 36 8.114 8.108 0.240 1.00 0.00 O ATOM 0 H GLY A 36 5.257 7.265 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.418 7.850 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.519 6.279 0.688 1.00 0.00 H new ATOM 552 N SER A 37 7.928 6.426 1.641 1.00 0.00 N ATOM 553 CA SER A 37 9.401 6.386 1.856 1.00 0.00 C ATOM 554 C SER A 37 9.847 4.942 2.095 1.00 0.00 C ATOM 555 O SER A 37 10.730 4.437 1.430 1.00 0.00 O ATOM 556 CB SER A 37 9.765 7.235 3.074 1.00 0.00 C ATOM 557 OG SER A 37 9.379 6.550 4.259 1.00 0.00 O ATOM 0 H SER A 37 7.393 5.732 2.163 1.00 0.00 H new ATOM 0 HA SER A 37 9.903 6.781 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.837 7.431 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.264 8.202 3.020 1.00 0.00 H new ATOM 0 HG SER A 37 8.401 6.525 4.319 1.00 0.00 H new ATOM 563 N TYR A 38 9.241 4.273 3.041 1.00 0.00 N ATOM 564 CA TYR A 38 9.635 2.863 3.321 1.00 0.00 C ATOM 565 C TYR A 38 8.396 2.039 3.688 1.00 0.00 C ATOM 566 O TYR A 38 7.409 2.560 4.167 1.00 0.00 O ATOM 567 CB TYR A 38 10.628 2.837 4.484 1.00 0.00 C ATOM 568 CG TYR A 38 10.846 1.412 4.924 1.00 0.00 C ATOM 569 CD1 TYR A 38 11.676 0.568 4.176 1.00 0.00 C ATOM 570 CD2 TYR A 38 10.217 0.930 6.079 1.00 0.00 C ATOM 571 CE1 TYR A 38 11.878 -0.756 4.583 1.00 0.00 C ATOM 572 CE2 TYR A 38 10.419 -0.393 6.486 1.00 0.00 C ATOM 573 CZ TYR A 38 11.250 -1.237 5.738 1.00 0.00 C ATOM 574 OH TYR A 38 11.446 -2.540 6.138 1.00 0.00 O ATOM 0 H TYR A 38 8.493 4.641 3.629 1.00 0.00 H new ATOM 0 HA TYR A 38 10.099 2.435 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.574 3.284 4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.248 3.432 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.160 0.939 3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.576 1.580 6.656 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.518 -1.407 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.934 -0.764 7.377 1.00 0.00 H new ATOM 0 HH TYR A 38 10.939 -2.710 6.959 1.00 0.00 H new ATOM 584 N GLY A 39 8.449 0.751 3.467 1.00 0.00 N ATOM 585 CA GLY A 39 7.282 -0.119 3.801 1.00 0.00 C ATOM 586 C GLY A 39 7.716 -1.589 3.738 1.00 0.00 C ATOM 587 O GLY A 39 8.892 -1.893 3.718 1.00 0.00 O ATOM 0 H GLY A 39 9.252 0.263 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.908 0.120 4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.466 0.062 3.102 1.00 0.00 H new ATOM 591 N TYR A 40 6.782 -2.502 3.702 1.00 0.00 N ATOM 592 CA TYR A 40 7.163 -3.943 3.638 1.00 0.00 C ATOM 593 C TYR A 40 5.919 -4.799 3.402 1.00 0.00 C ATOM 594 O TYR A 40 4.931 -4.340 2.864 1.00 0.00 O ATOM 595 CB TYR A 40 7.833 -4.358 4.949 1.00 0.00 C ATOM 596 CG TYR A 40 6.866 -4.191 6.095 1.00 0.00 C ATOM 597 CD1 TYR A 40 6.489 -2.910 6.513 1.00 0.00 C ATOM 598 CD2 TYR A 40 6.352 -5.318 6.745 1.00 0.00 C ATOM 599 CE1 TYR A 40 5.598 -2.755 7.581 1.00 0.00 C ATOM 600 CE2 TYR A 40 5.459 -5.165 7.813 1.00 0.00 C ATOM 601 CZ TYR A 40 5.082 -3.882 8.231 1.00 0.00 C ATOM 602 OH TYR A 40 4.204 -3.729 9.286 1.00 0.00 O ATOM 0 H TYR A 40 5.779 -2.315 3.714 1.00 0.00 H new ATOM 0 HA TYR A 40 7.861 -4.092 2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.161 -5.395 4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.722 -3.752 5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.886 -2.040 6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.644 -6.307 6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.309 -1.766 7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.061 -6.035 8.314 1.00 0.00 H new ATOM 0 HH TYR A 40 3.440 -3.186 9.000 1.00 0.00 H new ATOM 612 N CYS A 41 5.962 -6.042 3.792 1.00 0.00 N ATOM 613 CA CYS A 41 4.785 -6.932 3.580 1.00 0.00 C ATOM 614 C CYS A 41 4.430 -7.650 4.886 1.00 0.00 C ATOM 615 O CYS A 41 5.215 -8.400 5.432 1.00 0.00 O ATOM 616 CB CYS A 41 5.131 -7.968 2.494 1.00 0.00 C ATOM 617 SG CYS A 41 3.920 -9.323 2.505 1.00 0.00 S ATOM 0 H CYS A 41 6.761 -6.481 4.249 1.00 0.00 H new ATOM 0 HA CYS A 41 3.929 -6.336 3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.142 -7.489 1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.132 -8.364 2.666 1.00 0.00 H new ATOM 622 N TYR A 42 3.238 -7.444 5.375 1.00 0.00 N ATOM 623 CA TYR A 42 2.813 -8.130 6.624 1.00 0.00 C ATOM 624 C TYR A 42 2.243 -9.492 6.239 1.00 0.00 C ATOM 625 O TYR A 42 2.437 -9.939 5.129 1.00 0.00 O ATOM 626 CB TYR A 42 1.757 -7.293 7.326 1.00 0.00 C ATOM 627 CG TYR A 42 1.732 -7.629 8.798 1.00 0.00 C ATOM 628 CD1 TYR A 42 2.930 -7.807 9.505 1.00 0.00 C ATOM 629 CD2 TYR A 42 0.505 -7.778 9.454 1.00 0.00 C ATOM 630 CE1 TYR A 42 2.897 -8.132 10.867 1.00 0.00 C ATOM 631 CE2 TYR A 42 0.474 -8.105 10.814 1.00 0.00 C ATOM 632 CZ TYR A 42 1.670 -8.282 11.520 1.00 0.00 C ATOM 633 OH TYR A 42 1.637 -8.608 12.858 1.00 0.00 O ATOM 0 H TYR A 42 2.539 -6.828 4.961 1.00 0.00 H new ATOM 0 HA TYR A 42 3.656 -8.259 7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.970 -6.233 7.189 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.778 -7.481 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.878 -7.694 8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.418 -7.641 8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.819 -8.267 11.413 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.473 -8.221 11.320 1.00 0.00 H new ATOM 0 HH TYR A 42 0.706 -8.673 13.156 1.00 0.00 H new ATOM 643 N ALA A 43 1.547 -10.156 7.143 1.00 0.00 N ATOM 644 CA ALA A 43 0.956 -11.509 6.827 1.00 0.00 C ATOM 645 C ALA A 43 0.662 -11.606 5.340 1.00 0.00 C ATOM 646 O ALA A 43 1.106 -12.508 4.662 1.00 0.00 O ATOM 647 CB ALA A 43 -0.345 -11.695 7.621 1.00 0.00 C ATOM 0 H ALA A 43 1.362 -9.819 8.088 1.00 0.00 H new ATOM 0 HA ALA A 43 1.667 -12.288 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.773 -12.671 7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.132 -11.631 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.054 -10.915 7.345 1.00 0.00 H new ATOM 653 N PHE A 44 -0.048 -10.658 4.837 1.00 0.00 N ATOM 654 CA PHE A 44 -0.368 -10.633 3.383 1.00 0.00 C ATOM 655 C PHE A 44 -0.936 -9.260 3.030 1.00 0.00 C ATOM 656 O PHE A 44 -1.934 -9.144 2.347 1.00 0.00 O ATOM 657 CB PHE A 44 -1.394 -11.719 3.049 1.00 0.00 C ATOM 658 CG PHE A 44 -0.702 -13.056 2.979 1.00 0.00 C ATOM 659 CD1 PHE A 44 0.277 -13.289 2.006 1.00 0.00 C ATOM 660 CD2 PHE A 44 -1.031 -14.058 3.896 1.00 0.00 C ATOM 661 CE1 PHE A 44 0.925 -14.528 1.950 1.00 0.00 C ATOM 662 CE2 PHE A 44 -0.384 -15.296 3.840 1.00 0.00 C ATOM 663 CZ PHE A 44 0.594 -15.532 2.867 1.00 0.00 C ATOM 0 H PHE A 44 -0.432 -9.880 5.373 1.00 0.00 H new ATOM 0 HA PHE A 44 0.537 -10.822 2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.176 -11.741 3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.878 -11.497 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.532 -12.513 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.785 -13.876 4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.680 -14.709 1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.639 -16.071 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.093 -16.489 2.824 1.00 0.00 H new ATOM 673 N ALA A 45 -0.305 -8.216 3.499 1.00 0.00 N ATOM 674 CA ALA A 45 -0.802 -6.842 3.202 1.00 0.00 C ATOM 675 C ALA A 45 0.371 -5.861 3.248 1.00 0.00 C ATOM 676 O ALA A 45 0.989 -5.665 4.277 1.00 0.00 O ATOM 677 CB ALA A 45 -1.845 -6.440 4.245 1.00 0.00 C ATOM 0 H ALA A 45 0.535 -8.257 4.076 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.256 -6.823 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.208 -5.436 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.679 -7.142 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.393 -6.456 5.237 1.00 0.00 H new ATOM 683 N CYS A 46 0.686 -5.247 2.142 1.00 0.00 N ATOM 684 CA CYS A 46 1.822 -4.285 2.117 1.00 0.00 C ATOM 685 C CYS A 46 1.606 -3.195 3.167 1.00 0.00 C ATOM 686 O CYS A 46 0.503 -2.965 3.628 1.00 0.00 O ATOM 687 CB CYS A 46 1.928 -3.650 0.732 1.00 0.00 C ATOM 688 SG CYS A 46 2.761 -4.804 -0.391 1.00 0.00 S ATOM 0 H CYS A 46 0.204 -5.371 1.252 1.00 0.00 H new ATOM 0 HA CYS A 46 2.745 -4.819 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.935 -3.408 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.484 -2.714 0.789 1.00 0.00 H new ATOM 693 N TRP A 47 2.659 -2.528 3.549 1.00 0.00 N ATOM 694 CA TRP A 47 2.549 -1.455 4.571 1.00 0.00 C ATOM 695 C TRP A 47 3.468 -0.298 4.171 1.00 0.00 C ATOM 696 O TRP A 47 4.648 -0.484 3.943 1.00 0.00 O ATOM 697 CB TRP A 47 2.986 -2.021 5.926 1.00 0.00 C ATOM 698 CG TRP A 47 2.929 -0.953 6.967 1.00 0.00 C ATOM 699 CD1 TRP A 47 3.662 0.183 6.953 1.00 0.00 C ATOM 700 CD2 TRP A 47 2.117 -0.901 8.177 1.00 0.00 C ATOM 701 NE1 TRP A 47 3.351 0.929 8.074 1.00 0.00 N ATOM 702 CE2 TRP A 47 2.403 0.303 8.859 1.00 0.00 C ATOM 703 CE3 TRP A 47 1.166 -1.775 8.744 1.00 0.00 C ATOM 704 CZ2 TRP A 47 1.775 0.633 10.057 1.00 0.00 C ATOM 705 CZ3 TRP A 47 0.530 -1.443 9.954 1.00 0.00 C ATOM 706 CH2 TRP A 47 0.836 -0.241 10.608 1.00 0.00 C ATOM 0 H TRP A 47 3.601 -2.684 3.191 1.00 0.00 H new ATOM 0 HA TRP A 47 1.522 -1.096 4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.338 -2.851 6.209 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.999 -2.417 5.854 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.374 0.462 6.190 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.771 1.832 8.295 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.925 -2.703 8.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.013 1.560 10.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.198 -2.117 10.381 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.346 0.009 11.537 1.00 0.00 H new ATOM 717 N CYS A 48 2.947 0.897 4.072 1.00 0.00 N ATOM 718 CA CYS A 48 3.811 2.046 3.675 1.00 0.00 C ATOM 719 C CYS A 48 3.916 3.028 4.838 1.00 0.00 C ATOM 720 O CYS A 48 3.124 3.000 5.760 1.00 0.00 O ATOM 721 CB CYS A 48 3.210 2.751 2.454 1.00 0.00 C ATOM 722 SG CYS A 48 4.534 3.555 1.514 1.00 0.00 S ATOM 0 H CYS A 48 1.969 1.125 4.247 1.00 0.00 H new ATOM 0 HA CYS A 48 4.805 1.679 3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.687 2.031 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.474 3.490 2.772 1.00 0.00 H new ATOM 727 N GLU A 49 4.893 3.891 4.810 1.00 0.00 N ATOM 728 CA GLU A 49 5.055 4.866 5.922 1.00 0.00 C ATOM 729 C GLU A 49 5.442 6.236 5.365 1.00 0.00 C ATOM 730 O GLU A 49 6.325 6.354 4.539 1.00 0.00 O ATOM 731 CB GLU A 49 6.158 4.378 6.860 1.00 0.00 C ATOM 732 CG GLU A 49 5.609 3.272 7.761 1.00 0.00 C ATOM 733 CD GLU A 49 6.612 2.975 8.875 1.00 0.00 C ATOM 734 OE1 GLU A 49 6.994 3.906 9.563 1.00 0.00 O ATOM 735 OE2 GLU A 49 6.980 1.822 9.020 1.00 0.00 O ATOM 0 H GLU A 49 5.586 3.963 4.065 1.00 0.00 H new ATOM 0 HA GLU A 49 4.113 4.951 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.003 4.005 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.527 5.205 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.654 3.578 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.422 2.371 7.176 1.00 0.00 H new ATOM 742 N GLY A 50 4.800 7.275 5.826 1.00 0.00 N ATOM 743 CA GLY A 50 5.142 8.642 5.341 1.00 0.00 C ATOM 744 C GLY A 50 4.289 9.011 4.123 1.00 0.00 C ATOM 745 O GLY A 50 4.614 9.924 3.388 1.00 0.00 O ATOM 0 H GLY A 50 4.052 7.236 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.980 9.368 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.199 8.687 5.079 1.00 0.00 H new ATOM 749 N LEU A 51 3.197 8.327 3.897 1.00 0.00 N ATOM 750 CA LEU A 51 2.346 8.677 2.721 1.00 0.00 C ATOM 751 C LEU A 51 1.454 9.878 3.093 1.00 0.00 C ATOM 752 O LEU A 51 0.874 9.906 4.160 1.00 0.00 O ATOM 753 CB LEU A 51 1.478 7.469 2.305 1.00 0.00 C ATOM 754 CG LEU A 51 0.601 7.001 3.477 1.00 0.00 C ATOM 755 CD1 LEU A 51 -0.619 7.908 3.602 1.00 0.00 C ATOM 756 CD2 LEU A 51 0.130 5.566 3.219 1.00 0.00 C ATOM 0 H LEU A 51 2.861 7.551 4.468 1.00 0.00 H new ATOM 0 HA LEU A 51 2.981 8.941 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.847 7.742 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.118 6.651 1.974 1.00 0.00 H new ATOM 0 HG LEU A 51 1.183 7.042 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.238 7.573 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.294 8.933 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.198 7.868 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.492 5.232 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.449 5.533 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.996 4.910 3.128 1.00 0.00 H new ATOM 768 N PRO A 52 1.377 10.847 2.197 1.00 0.00 N ATOM 769 CA PRO A 52 0.566 12.054 2.417 1.00 0.00 C ATOM 770 C PRO A 52 -0.921 11.698 2.524 1.00 0.00 C ATOM 771 O PRO A 52 -1.295 10.547 2.533 1.00 0.00 O ATOM 772 CB PRO A 52 0.811 12.930 1.179 1.00 0.00 C ATOM 773 CG PRO A 52 1.742 12.132 0.220 1.00 0.00 C ATOM 774 CD PRO A 52 2.089 10.802 0.913 1.00 0.00 C ATOM 0 HA PRO A 52 0.837 12.559 3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.131 13.171 0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.273 13.876 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.245 11.950 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.647 12.700 0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.769 9.949 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.164 10.703 1.061 1.00 0.00 H new ATOM 782 N GLU A 53 -1.767 12.688 2.605 1.00 0.00 N ATOM 783 CA GLU A 53 -3.231 12.422 2.710 1.00 0.00 C ATOM 784 C GLU A 53 -3.804 12.119 1.319 1.00 0.00 C ATOM 785 O GLU A 53 -4.571 11.196 1.141 1.00 0.00 O ATOM 786 CB GLU A 53 -3.930 13.665 3.272 1.00 0.00 C ATOM 787 CG GLU A 53 -4.402 13.399 4.703 1.00 0.00 C ATOM 788 CD GLU A 53 -5.915 13.619 4.790 1.00 0.00 C ATOM 789 OE1 GLU A 53 -6.384 14.596 4.227 1.00 0.00 O ATOM 790 OE2 GLU A 53 -6.580 12.808 5.414 1.00 0.00 O ATOM 0 H GLU A 53 -1.507 13.674 2.603 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.395 11.568 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.247 14.514 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.780 13.930 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.155 12.378 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.887 14.063 5.397 1.00 0.00 H new ATOM 797 N SER A 54 -3.447 12.903 0.339 1.00 0.00 N ATOM 798 CA SER A 54 -3.980 12.679 -1.034 1.00 0.00 C ATOM 799 C SER A 54 -3.962 11.180 -1.373 1.00 0.00 C ATOM 800 O SER A 54 -4.992 10.584 -1.622 1.00 0.00 O ATOM 801 CB SER A 54 -3.125 13.448 -2.040 1.00 0.00 C ATOM 802 OG SER A 54 -1.775 13.019 -1.935 1.00 0.00 O ATOM 0 H SER A 54 -2.807 13.692 0.431 1.00 0.00 H new ATOM 0 HA SER A 54 -5.009 13.035 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.494 13.280 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.194 14.519 -1.849 1.00 0.00 H new ATOM 0 HG SER A 54 -1.225 13.510 -2.581 1.00 0.00 H new ATOM 808 N THR A 55 -2.808 10.564 -1.391 1.00 0.00 N ATOM 809 CA THR A 55 -2.748 9.107 -1.720 1.00 0.00 C ATOM 810 C THR A 55 -3.817 8.355 -0.903 1.00 0.00 C ATOM 811 O THR A 55 -3.845 8.456 0.307 1.00 0.00 O ATOM 812 CB THR A 55 -1.357 8.557 -1.373 1.00 0.00 C ATOM 813 OG1 THR A 55 -1.299 7.176 -1.706 1.00 0.00 O ATOM 814 CG2 THR A 55 -1.091 8.731 0.118 1.00 0.00 C ATOM 0 H THR A 55 -1.909 11.003 -1.193 1.00 0.00 H new ATOM 0 HA THR A 55 -2.936 8.967 -2.785 1.00 0.00 H new ATOM 0 HB THR A 55 -0.602 9.103 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.216 6.645 -0.886 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.103 8.339 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.134 9.790 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.845 8.189 0.688 1.00 0.00 H new ATOM 822 N PRO A 56 -4.669 7.623 -1.589 1.00 0.00 N ATOM 823 CA PRO A 56 -5.737 6.858 -0.932 1.00 0.00 C ATOM 824 C PRO A 56 -5.134 5.759 -0.049 1.00 0.00 C ATOM 825 O PRO A 56 -4.076 5.231 -0.332 1.00 0.00 O ATOM 826 CB PRO A 56 -6.548 6.240 -2.082 1.00 0.00 C ATOM 827 CG PRO A 56 -5.876 6.680 -3.416 1.00 0.00 C ATOM 828 CD PRO A 56 -4.634 7.511 -3.052 1.00 0.00 C ATOM 0 HA PRO A 56 -6.355 7.482 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.563 5.153 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.584 6.577 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.595 5.810 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.568 7.268 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.720 7.023 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.664 8.493 -3.524 1.00 0.00 H new ATOM 836 N THR A 57 -5.802 5.404 1.015 1.00 0.00 N ATOM 837 CA THR A 57 -5.271 4.337 1.906 1.00 0.00 C ATOM 838 C THR A 57 -6.438 3.632 2.597 1.00 0.00 C ATOM 839 O THR A 57 -7.135 4.218 3.400 1.00 0.00 O ATOM 840 CB THR A 57 -4.344 4.954 2.959 1.00 0.00 C ATOM 841 OG1 THR A 57 -4.543 6.360 2.997 1.00 0.00 O ATOM 842 CG2 THR A 57 -2.889 4.654 2.599 1.00 0.00 C ATOM 0 H THR A 57 -6.693 5.808 1.305 1.00 0.00 H new ATOM 0 HA THR A 57 -4.707 3.616 1.314 1.00 0.00 H new ATOM 0 HB THR A 57 -4.570 4.527 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.679 6.810 3.104 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.231 5.093 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.736 3.575 2.570 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.661 5.079 1.622 1.00 0.00 H new ATOM 850 N TYR A 58 -6.652 2.377 2.284 1.00 0.00 N ATOM 851 CA TYR A 58 -7.774 1.611 2.913 1.00 0.00 C ATOM 852 C TYR A 58 -7.925 2.025 4.385 1.00 0.00 C ATOM 853 O TYR A 58 -6.942 2.285 5.052 1.00 0.00 O ATOM 854 CB TYR A 58 -7.455 0.111 2.835 1.00 0.00 C ATOM 855 CG TYR A 58 -8.719 -0.695 3.037 1.00 0.00 C ATOM 856 CD1 TYR A 58 -9.542 -1.001 1.941 1.00 0.00 C ATOM 857 CD2 TYR A 58 -9.071 -1.132 4.319 1.00 0.00 C ATOM 858 CE1 TYR A 58 -10.715 -1.743 2.133 1.00 0.00 C ATOM 859 CE2 TYR A 58 -10.243 -1.875 4.510 1.00 0.00 C ATOM 860 CZ TYR A 58 -11.065 -2.180 3.417 1.00 0.00 C ATOM 861 OH TYR A 58 -12.221 -2.912 3.606 1.00 0.00 O ATOM 0 H TYR A 58 -6.094 1.847 1.615 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.704 1.823 2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.013 -0.126 1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.719 -0.153 3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.271 -0.665 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.438 -0.896 5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.349 -1.978 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.513 -2.213 5.500 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.314 -3.137 4.555 1.00 0.00 H new ATOM 871 N PRO A 59 -9.153 2.054 4.858 1.00 0.00 N ATOM 872 CA PRO A 59 -10.350 1.845 4.019 1.00 0.00 C ATOM 873 C PRO A 59 -10.546 3.009 3.034 1.00 0.00 C ATOM 874 O PRO A 59 -10.132 4.125 3.281 1.00 0.00 O ATOM 875 CB PRO A 59 -11.522 1.802 5.012 1.00 0.00 C ATOM 876 CG PRO A 59 -10.944 2.085 6.431 1.00 0.00 C ATOM 877 CD PRO A 59 -9.425 2.281 6.281 1.00 0.00 C ATOM 0 HA PRO A 59 -10.267 0.937 3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.275 2.545 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.012 0.829 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.405 2.974 6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.159 1.256 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -9.124 3.283 6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.873 1.579 6.906 1.00 0.00 H new ATOM 885 N LEU A 60 -11.193 2.750 1.925 1.00 0.00 N ATOM 886 CA LEU A 60 -11.439 3.828 0.924 1.00 0.00 C ATOM 887 C LEU A 60 -12.864 4.370 1.127 1.00 0.00 C ATOM 888 O LEU A 60 -13.824 3.666 0.885 1.00 0.00 O ATOM 889 CB LEU A 60 -11.309 3.252 -0.490 1.00 0.00 C ATOM 890 CG LEU A 60 -10.512 4.223 -1.364 1.00 0.00 C ATOM 891 CD1 LEU A 60 -9.154 3.610 -1.703 1.00 0.00 C ATOM 892 CD2 LEU A 60 -11.282 4.503 -2.659 1.00 0.00 C ATOM 0 H LEU A 60 -11.562 1.834 1.671 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.712 4.630 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.810 2.283 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.297 3.086 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.365 5.157 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.587 4.303 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.603 3.415 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.302 2.675 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.712 5.195 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.433 3.570 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.249 4.944 -2.419 1.00 0.00 H new ATOM 904 N PRO A 61 -12.964 5.604 1.567 1.00 0.00 N ATOM 905 CA PRO A 61 -14.266 6.236 1.803 1.00 0.00 C ATOM 906 C PRO A 61 -15.018 6.431 0.488 1.00 0.00 C ATOM 907 O PRO A 61 -16.230 6.377 0.439 1.00 0.00 O ATOM 908 CB PRO A 61 -13.941 7.589 2.448 1.00 0.00 C ATOM 909 CG PRO A 61 -12.389 7.745 2.445 1.00 0.00 C ATOM 910 CD PRO A 61 -11.799 6.448 1.859 1.00 0.00 C ATOM 0 HA PRO A 61 -14.907 5.625 2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.410 8.402 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.329 7.633 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.091 8.607 1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.018 7.914 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.220 6.649 0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.127 5.964 2.568 1.00 0.00 H new ATOM 918 N ASN A 62 -14.311 6.652 -0.570 1.00 0.00 N ATOM 919 CA ASN A 62 -14.980 6.848 -1.890 1.00 0.00 C ATOM 920 C ASN A 62 -15.686 5.551 -2.279 1.00 0.00 C ATOM 921 O ASN A 62 -16.858 5.535 -2.604 1.00 0.00 O ATOM 922 CB ASN A 62 -13.931 7.196 -2.951 1.00 0.00 C ATOM 923 CG ASN A 62 -14.327 8.494 -3.654 1.00 0.00 C ATOM 924 OD1 ASN A 62 -15.278 9.144 -3.267 1.00 0.00 O ATOM 925 ND2 ASN A 62 -13.634 8.904 -4.681 1.00 0.00 N ATOM 0 H ASN A 62 -13.293 6.707 -0.588 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.703 7.661 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.951 7.306 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.850 6.387 -3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.891 9.769 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.835 8.360 -5.007 1.00 0.00 H new ATOM 932 N LYS A 63 -14.978 4.463 -2.233 1.00 0.00 N ATOM 933 CA LYS A 63 -15.581 3.148 -2.579 1.00 0.00 C ATOM 934 C LYS A 63 -14.749 2.050 -1.916 1.00 0.00 C ATOM 935 O LYS A 63 -13.568 1.927 -2.160 1.00 0.00 O ATOM 936 CB LYS A 63 -15.570 2.955 -4.099 1.00 0.00 C ATOM 937 CG LYS A 63 -16.909 3.409 -4.687 1.00 0.00 C ATOM 938 CD LYS A 63 -16.946 3.077 -6.181 1.00 0.00 C ATOM 939 CE LYS A 63 -15.672 3.596 -6.849 1.00 0.00 C ATOM 940 NZ LYS A 63 -15.904 3.733 -8.314 1.00 0.00 N ATOM 0 H LYS A 63 -13.994 4.426 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.612 3.105 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.755 3.527 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.392 1.907 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.732 2.913 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.040 4.481 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.031 2.000 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.823 3.530 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.390 4.559 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.845 2.911 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.039 4.086 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.154 2.806 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.682 4.403 -8.481 1.00 0.00 H new ATOM 954 N SER A 64 -15.345 1.263 -1.067 1.00 0.00 N ATOM 955 CA SER A 64 -14.566 0.190 -0.388 1.00 0.00 C ATOM 956 C SER A 64 -14.396 -1.000 -1.332 1.00 0.00 C ATOM 957 O SER A 64 -14.685 -0.918 -2.509 1.00 0.00 O ATOM 958 CB SER A 64 -15.305 -0.257 0.871 1.00 0.00 C ATOM 959 OG SER A 64 -16.568 -0.801 0.506 1.00 0.00 O ATOM 0 H SER A 64 -16.332 1.314 -0.814 1.00 0.00 H new ATOM 0 HA SER A 64 -13.583 0.575 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.717 -1.002 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.441 0.588 1.546 1.00 0.00 H new ATOM 0 HG SER A 64 -17.045 -1.091 1.312 1.00 0.00 H new ATOM 965 N CYS A 65 -13.923 -2.103 -0.824 1.00 0.00 N ATOM 966 CA CYS A 65 -13.729 -3.298 -1.686 1.00 0.00 C ATOM 967 C CYS A 65 -15.021 -4.112 -1.729 1.00 0.00 C ATOM 968 O CYS A 65 -15.195 -4.957 -0.866 1.00 0.00 O ATOM 969 CB CYS A 65 -12.607 -4.155 -1.101 1.00 0.00 C ATOM 970 SG CYS A 65 -11.960 -5.272 -2.375 1.00 0.00 S ATOM 971 OXT CYS A 65 -15.817 -3.875 -2.624 1.00 0.00 O ATOM 0 H CYS A 65 -13.662 -2.227 0.154 1.00 0.00 H new ATOM 0 HA CYS A 65 -13.467 -2.985 -2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.808 -3.517 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.981 -4.731 -0.255 1.00 0.00 H new TER 976 CYS A 65