USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 ASN :FLIP amide:sc= 0.0901 F(o=-3.5!,f=0.09) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= -0.174 (180deg=-0.778) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 101:sc= -0.374 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 110:sc= -0.536 USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.804 (180deg=-1.8!) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -0.0357 (180deg=-0.298) USER MOD Single : A 48 ASN : amide:sc= -1.38 K(o=-1.4,f=-1.9) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= -0.205 (180deg=-1.04) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -54:sc= 0.583 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.231 (180deg=-1.24) USER MOD Single : A 68 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.52) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.271 K(o=0.27,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.426 -1.070 12.121 1.00 0.00 N ATOM 2 CA ASN A 1 -14.359 -1.209 11.118 1.00 0.00 C ATOM 3 C ASN A 1 -13.842 -2.626 11.150 1.00 0.00 C ATOM 4 O ASN A 1 -13.393 -3.054 12.197 1.00 0.00 O ATOM 5 CB ASN A 1 -13.193 -0.228 11.377 1.00 0.00 C ATOM 6 CG ASN A 1 -12.399 0.071 10.115 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.015 -0.935 9.356 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 -12.133 1.211 9.803 1.00 0.00 N flip ATOM 0 H1 ASN A 1 -15.790 -0.096 12.108 1.00 0.00 H new ATOM 0 H2 ASN A 1 -16.198 -1.731 11.901 1.00 0.00 H new ATOM 0 H3 ASN A 1 -15.045 -1.284 13.065 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.777 -0.973 10.139 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.588 0.703 11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.528 -0.649 12.131 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -12.433 1.985 10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.609 1.397 8.948 1.00 0.00 H new ATOM 17 N GLU A 2 -13.763 -3.265 9.982 1.00 0.00 N ATOM 18 CA GLU A 2 -13.319 -4.669 9.888 1.00 0.00 C ATOM 19 C GLU A 2 -12.106 -4.784 8.975 1.00 0.00 C ATOM 20 O GLU A 2 -11.193 -5.546 9.256 1.00 0.00 O ATOM 21 CB GLU A 2 -14.409 -5.576 9.319 1.00 0.00 C ATOM 22 CG GLU A 2 -15.822 -5.295 9.839 1.00 0.00 C ATOM 23 CD GLU A 2 -15.911 -5.319 11.357 1.00 0.00 C ATOM 24 OE1 GLU A 2 -15.208 -6.169 11.943 1.00 0.00 O ATOM 25 OE2 GLU A 2 -16.537 -4.371 11.897 1.00 0.00 O ATOM 0 H GLU A 2 -13.999 -2.839 9.086 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.076 -4.984 10.903 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.412 -5.479 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.154 -6.611 9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.150 -4.321 9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.509 -6.035 9.428 1.00 0.00 H new ATOM 32 N CYS A 3 -12.037 -3.963 7.916 1.00 0.00 N ATOM 33 CA CYS A 3 -10.898 -3.934 6.997 1.00 0.00 C ATOM 34 C CYS A 3 -9.572 -3.800 7.740 1.00 0.00 C ATOM 35 O CYS A 3 -8.659 -4.590 7.525 1.00 0.00 O ATOM 36 CB CYS A 3 -11.055 -2.784 5.994 1.00 0.00 C ATOM 37 SG CYS A 3 -11.701 -3.438 4.432 1.00 0.00 S ATOM 0 H CYS A 3 -12.774 -3.300 7.676 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.885 -4.883 6.462 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -11.731 -2.028 6.393 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.094 -2.297 5.828 1.00 0.00 H new ATOM 42 N VAL A 4 -9.505 -2.851 8.679 1.00 0.00 N ATOM 43 CA VAL A 4 -8.324 -2.653 9.526 1.00 0.00 C ATOM 44 C VAL A 4 -7.942 -3.915 10.311 1.00 0.00 C ATOM 45 O VAL A 4 -6.774 -4.144 10.593 1.00 0.00 O ATOM 46 CB VAL A 4 -8.554 -1.482 10.505 1.00 0.00 C ATOM 47 CG1 VAL A 4 -9.306 -1.918 11.775 1.00 0.00 C ATOM 48 CG2 VAL A 4 -7.211 -0.850 10.865 1.00 0.00 C ATOM 0 H VAL A 4 -10.266 -2.200 8.873 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.495 -2.419 8.858 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.185 -0.747 10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.442 -1.058 12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.280 -2.323 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.729 -2.683 12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.372 -0.023 11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.572 -1.597 11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.730 -0.478 9.960 1.00 0.00 H new ATOM 58 N SER A 5 -8.933 -4.747 10.645 1.00 0.00 N ATOM 59 CA SER A 5 -8.746 -5.994 11.378 1.00 0.00 C ATOM 60 C SER A 5 -8.062 -7.047 10.512 1.00 0.00 C ATOM 61 O SER A 5 -7.345 -7.908 11.019 1.00 0.00 O ATOM 62 CB SER A 5 -10.100 -6.549 11.840 1.00 0.00 C ATOM 63 OG SER A 5 -9.906 -7.360 12.975 1.00 0.00 O ATOM 0 H SER A 5 -9.908 -4.564 10.406 1.00 0.00 H new ATOM 0 HA SER A 5 -8.116 -5.773 12.240 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.781 -5.731 12.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.561 -7.127 11.040 1.00 0.00 H new ATOM 0 HG SER A 5 -10.769 -7.715 13.274 1.00 0.00 H new ATOM 69 N LYS A 6 -8.272 -6.989 9.192 1.00 0.00 N ATOM 70 CA LYS A 6 -7.588 -7.859 8.237 1.00 0.00 C ATOM 71 C LYS A 6 -6.328 -7.250 7.639 1.00 0.00 C ATOM 72 O LYS A 6 -5.568 -7.986 7.017 1.00 0.00 O ATOM 73 CB LYS A 6 -8.568 -8.231 7.133 1.00 0.00 C ATOM 74 CG LYS A 6 -9.367 -9.485 7.483 1.00 0.00 C ATOM 75 CD LYS A 6 -8.708 -10.774 6.953 1.00 0.00 C ATOM 76 CE LYS A 6 -7.772 -11.377 8.000 1.00 0.00 C ATOM 77 NZ LYS A 6 -8.515 -11.784 9.221 1.00 0.00 N ATOM 0 H LYS A 6 -8.923 -6.335 8.758 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.255 -8.741 8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.252 -7.401 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.023 -8.395 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.473 -9.554 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.372 -9.398 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.478 -11.498 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.149 -10.554 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.261 -12.242 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.004 -10.651 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.026 -12.582 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.559 -10.983 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.480 -12.072 8.960 1.00 0.00 H new ATOM 91 N GLY A 7 -6.117 -5.953 7.842 1.00 0.00 N ATOM 92 CA GLY A 7 -4.977 -5.234 7.302 1.00 0.00 C ATOM 93 C GLY A 7 -5.269 -4.675 5.921 1.00 0.00 C ATOM 94 O GLY A 7 -4.444 -4.834 5.031 1.00 0.00 O ATOM 0 H GLY A 7 -6.744 -5.368 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.708 -4.420 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.117 -5.902 7.250 1.00 0.00 H new ATOM 98 N PHE A 8 -6.429 -4.047 5.723 1.00 0.00 N ATOM 99 CA PHE A 8 -6.802 -3.402 4.464 1.00 0.00 C ATOM 100 C PHE A 8 -6.852 -1.889 4.610 1.00 0.00 C ATOM 101 O PHE A 8 -6.940 -1.367 5.722 1.00 0.00 O ATOM 102 CB PHE A 8 -8.152 -3.939 3.993 1.00 0.00 C ATOM 103 CG PHE A 8 -8.119 -5.395 3.623 1.00 0.00 C ATOM 104 CD1 PHE A 8 -7.285 -5.836 2.579 1.00 0.00 C ATOM 105 CD2 PHE A 8 -8.921 -6.310 4.318 1.00 0.00 C ATOM 106 CE1 PHE A 8 -7.253 -7.197 2.224 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.868 -7.664 3.969 1.00 0.00 C ATOM 108 CZ PHE A 8 -8.051 -8.117 2.923 1.00 0.00 C ATOM 0 H PHE A 8 -7.146 -3.971 6.444 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.041 -3.635 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.890 -3.789 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.484 -3.360 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.667 -5.127 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.571 -5.975 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.618 -7.533 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.469 -8.375 4.517 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.036 -9.164 2.658 1.00 0.00 H new ATOM 118 N GLY A 9 -6.848 -1.190 3.475 1.00 0.00 N ATOM 119 CA GLY A 9 -6.899 0.267 3.443 1.00 0.00 C ATOM 120 C GLY A 9 -8.173 0.771 2.780 1.00 0.00 C ATOM 121 O GLY A 9 -8.598 0.253 1.745 1.00 0.00 O ATOM 0 H GLY A 9 -6.809 -1.621 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.839 0.656 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.032 0.650 2.904 1.00 0.00 H new ATOM 125 N CYS A 10 -8.788 1.779 3.391 1.00 0.00 N ATOM 126 CA CYS A 10 -9.972 2.412 2.840 1.00 0.00 C ATOM 127 C CYS A 10 -9.619 3.413 1.766 1.00 0.00 C ATOM 128 O CYS A 10 -8.855 4.334 2.037 1.00 0.00 O ATOM 129 CB CYS A 10 -10.724 3.124 3.961 1.00 0.00 C ATOM 130 SG CYS A 10 -11.234 2.006 5.244 1.00 0.00 S ATOM 0 H CYS A 10 -8.478 2.176 4.278 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.594 1.638 2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.087 3.898 4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -11.600 3.624 3.548 1.00 0.00 H new ATOM 135 N LEU A 11 -10.205 3.257 0.584 1.00 0.00 N ATOM 136 CA LEU A 11 -9.967 4.164 -0.535 1.00 0.00 C ATOM 137 C LEU A 11 -11.246 4.504 -1.275 1.00 0.00 C ATOM 138 O LEU A 11 -12.175 3.725 -1.216 1.00 0.00 O ATOM 139 CB LEU A 11 -8.978 3.507 -1.505 1.00 0.00 C ATOM 140 CG LEU A 11 -7.524 3.542 -1.009 1.00 0.00 C ATOM 141 CD1 LEU A 11 -6.645 2.741 -1.966 1.00 0.00 C ATOM 142 CD2 LEU A 11 -7.034 4.988 -0.865 1.00 0.00 C ATOM 0 H LEU A 11 -10.857 2.501 0.374 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.560 5.093 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.274 2.471 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.037 4.011 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.465 3.086 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.613 2.764 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.993 1.709 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.701 3.178 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.002 4.989 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.088 5.488 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.663 5.516 -0.148 1.00 0.00 H new ATOM 154 N PRO A 12 -11.330 5.636 -1.981 1.00 0.00 N ATOM 155 CA PRO A 12 -12.504 6.041 -2.747 1.00 0.00 C ATOM 156 C PRO A 12 -12.743 5.078 -3.886 1.00 0.00 C ATOM 157 O PRO A 12 -11.805 4.690 -4.552 1.00 0.00 O ATOM 158 CB PRO A 12 -12.218 7.463 -3.215 1.00 0.00 C ATOM 159 CG PRO A 12 -10.703 7.543 -3.212 1.00 0.00 C ATOM 160 CD PRO A 12 -10.259 6.589 -2.119 1.00 0.00 C ATOM 0 HA PRO A 12 -13.421 6.021 -2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.627 7.648 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.660 8.202 -2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.291 7.254 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.362 8.559 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.325 6.094 -2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.083 7.119 -1.183 1.00 0.00 H new ATOM 168 N GLN A 13 -14.003 4.745 -4.177 1.00 0.00 N ATOM 169 CA GLN A 13 -14.386 3.873 -5.305 1.00 0.00 C ATOM 170 C GLN A 13 -13.737 4.294 -6.625 1.00 0.00 C ATOM 171 O GLN A 13 -13.542 3.463 -7.503 1.00 0.00 O ATOM 172 CB GLN A 13 -15.907 3.883 -5.506 1.00 0.00 C ATOM 173 CG GLN A 13 -16.551 5.203 -5.062 1.00 0.00 C ATOM 174 CD GLN A 13 -17.982 5.303 -5.532 1.00 0.00 C ATOM 175 OE1 GLN A 13 -18.300 5.972 -6.493 1.00 0.00 O ATOM 176 NE2 GLN A 13 -18.881 4.601 -4.882 1.00 0.00 N ATOM 0 H GLN A 13 -14.800 5.074 -3.633 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.034 2.875 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.132 3.709 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.350 3.060 -4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.517 5.279 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.977 6.041 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.605 4.041 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.855 4.615 -5.184 1.00 0.00 H new ATOM 185 N SER A 14 -13.495 5.594 -6.780 1.00 0.00 N ATOM 186 CA SER A 14 -12.751 6.117 -7.914 1.00 0.00 C ATOM 187 C SER A 14 -11.283 5.683 -7.930 1.00 0.00 C ATOM 188 O SER A 14 -10.785 5.323 -8.988 1.00 0.00 O ATOM 189 CB SER A 14 -12.827 7.638 -7.895 1.00 0.00 C ATOM 190 OG SER A 14 -12.284 8.153 -9.089 1.00 0.00 O ATOM 0 H SER A 14 -13.809 6.309 -6.124 1.00 0.00 H new ATOM 0 HA SER A 14 -13.208 5.708 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.863 7.959 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.281 8.029 -7.037 1.00 0.00 H new ATOM 0 HG SER A 14 -12.335 9.132 -9.076 1.00 0.00 H new ATOM 196 N ASP A 15 -10.595 5.748 -6.789 1.00 0.00 N ATOM 197 CA ASP A 15 -9.213 5.273 -6.646 1.00 0.00 C ATOM 198 C ASP A 15 -9.115 3.741 -6.656 1.00 0.00 C ATOM 199 O ASP A 15 -8.287 3.170 -7.358 1.00 0.00 O ATOM 200 CB ASP A 15 -8.624 5.806 -5.343 1.00 0.00 C ATOM 201 CG ASP A 15 -7.171 5.407 -5.166 1.00 0.00 C ATOM 202 OD1 ASP A 15 -6.322 6.114 -5.741 1.00 0.00 O ATOM 203 OD2 ASP A 15 -6.952 4.447 -4.404 1.00 0.00 O ATOM 0 H ASP A 15 -10.983 6.135 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.651 5.645 -7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.705 6.893 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.207 5.431 -4.502 1.00 0.00 H new ATOM 208 N CYS A 16 -9.996 3.056 -5.919 1.00 0.00 N ATOM 209 CA CYS A 16 -9.992 1.608 -5.855 1.00 0.00 C ATOM 210 C CYS A 16 -10.872 0.972 -6.950 1.00 0.00 C ATOM 211 O CYS A 16 -12.093 1.192 -6.994 1.00 0.00 O ATOM 212 CB CYS A 16 -10.447 1.138 -4.480 1.00 0.00 C ATOM 213 SG CYS A 16 -10.102 -0.599 -4.188 1.00 0.00 S ATOM 0 H CYS A 16 -10.724 3.496 -5.356 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.967 1.281 -6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.952 1.736 -3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.518 1.313 -4.377 1.00 0.00 H new ATOM 218 N PRO A 17 -10.315 0.074 -7.774 1.00 0.00 N ATOM 219 CA PRO A 17 -11.058 -0.585 -8.834 1.00 0.00 C ATOM 220 C PRO A 17 -12.168 -1.456 -8.268 1.00 0.00 C ATOM 221 O PRO A 17 -11.990 -2.088 -7.227 1.00 0.00 O ATOM 222 CB PRO A 17 -10.020 -1.426 -9.578 1.00 0.00 C ATOM 223 CG PRO A 17 -8.923 -1.682 -8.548 1.00 0.00 C ATOM 224 CD PRO A 17 -8.968 -0.452 -7.653 1.00 0.00 C ATOM 0 HA PRO A 17 -11.550 0.131 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.451 -2.360 -9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.631 -0.897 -10.448 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.111 -2.595 -7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.948 -1.796 -9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.741 -0.712 -6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.230 0.287 -7.966 1.00 0.00 H new ATOM 232 N GLN A 18 -13.268 -1.601 -9.020 1.00 0.00 N ATOM 233 CA GLN A 18 -14.366 -2.515 -8.673 1.00 0.00 C ATOM 234 C GLN A 18 -13.929 -3.965 -8.431 1.00 0.00 C ATOM 235 O GLN A 18 -14.669 -4.726 -7.822 1.00 0.00 O ATOM 236 CB GLN A 18 -15.477 -2.466 -9.726 1.00 0.00 C ATOM 237 CG GLN A 18 -15.001 -3.020 -11.080 1.00 0.00 C ATOM 238 CD GLN A 18 -16.125 -3.010 -12.100 1.00 0.00 C ATOM 239 OE1 GLN A 18 -16.139 -2.240 -13.043 1.00 0.00 O ATOM 240 NE2 GLN A 18 -17.131 -3.832 -11.911 1.00 0.00 N ATOM 0 H GLN A 18 -13.422 -1.087 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.748 -2.151 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.334 -3.042 -9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.814 -1.437 -9.852 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.167 -2.423 -11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.632 -4.037 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.121 -4.478 -11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.923 -3.825 -12.554 1.00 0.00 H new ATOM 249 N GLU A 19 -12.739 -4.321 -8.906 1.00 0.00 N ATOM 250 CA GLU A 19 -12.133 -5.627 -8.687 1.00 0.00 C ATOM 251 C GLU A 19 -11.488 -5.769 -7.304 1.00 0.00 C ATOM 252 O GLU A 19 -11.469 -6.862 -6.736 1.00 0.00 O ATOM 253 CB GLU A 19 -11.094 -5.851 -9.792 1.00 0.00 C ATOM 254 CG GLU A 19 -10.246 -7.104 -9.537 1.00 0.00 C ATOM 255 CD GLU A 19 -9.340 -7.460 -10.714 1.00 0.00 C ATOM 256 OE1 GLU A 19 -9.669 -7.062 -11.855 1.00 0.00 O ATOM 257 OE2 GLU A 19 -8.335 -8.153 -10.438 1.00 0.00 O ATOM 0 H GLU A 19 -12.159 -3.696 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.917 -6.383 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.601 -5.945 -10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.443 -4.980 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.634 -6.947 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.905 -7.946 -9.325 1.00 0.00 H new ATOM 264 N ALA A 20 -10.949 -4.673 -6.766 1.00 0.00 N ATOM 265 CA ALA A 20 -10.357 -4.667 -5.439 1.00 0.00 C ATOM 266 C ALA A 20 -11.359 -4.325 -4.353 1.00 0.00 C ATOM 267 O ALA A 20 -11.101 -4.667 -3.204 1.00 0.00 O ATOM 268 CB ALA A 20 -9.229 -3.654 -5.397 1.00 0.00 C ATOM 0 H ALA A 20 -10.914 -3.771 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.989 -5.675 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.783 -3.647 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.471 -3.923 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.621 -2.663 -5.625 1.00 0.00 H new ATOM 274 N ARG A 21 -12.457 -3.633 -4.691 1.00 0.00 N ATOM 275 CA ARG A 21 -13.517 -3.268 -3.747 1.00 0.00 C ATOM 276 C ARG A 21 -13.891 -4.458 -2.870 1.00 0.00 C ATOM 277 O ARG A 21 -14.362 -5.472 -3.368 1.00 0.00 O ATOM 278 CB ARG A 21 -14.758 -2.760 -4.472 1.00 0.00 C ATOM 279 CG ARG A 21 -14.515 -1.425 -5.179 1.00 0.00 C ATOM 280 CD ARG A 21 -15.821 -0.917 -5.783 1.00 0.00 C ATOM 281 NE ARG A 21 -15.585 0.204 -6.712 1.00 0.00 N ATOM 282 CZ ARG A 21 -16.474 0.646 -7.580 1.00 0.00 C ATOM 283 NH1 ARG A 21 -17.665 0.108 -7.654 1.00 0.00 N ATOM 284 NH2 ARG A 21 -16.186 1.632 -8.376 1.00 0.00 N ATOM 0 H ARG A 21 -12.634 -3.308 -5.642 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.130 -2.466 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.078 -3.502 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.572 -2.646 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.122 -0.694 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.765 -1.548 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.320 -1.730 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.491 -0.596 -4.986 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.677 0.667 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.916 -0.663 -7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.343 0.460 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.266 2.071 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.880 1.967 -9.044 1.00 0.00 H new ATOM 298 N LEU A 22 -13.667 -4.340 -1.569 1.00 0.00 N ATOM 299 CA LEU A 22 -13.955 -5.408 -0.625 1.00 0.00 C ATOM 300 C LEU A 22 -15.339 -5.180 -0.011 1.00 0.00 C ATOM 301 O LEU A 22 -15.975 -4.139 -0.187 1.00 0.00 O ATOM 302 CB LEU A 22 -12.873 -5.477 0.461 1.00 0.00 C ATOM 303 CG LEU A 22 -11.410 -5.436 -0.025 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.479 -5.165 1.161 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.045 -6.766 -0.695 1.00 0.00 C ATOM 0 H LEU A 22 -13.280 -3.500 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.954 -6.364 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.027 -4.647 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.018 -6.395 1.030 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.295 -4.634 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.446 -5.137 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.736 -4.207 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.592 -5.958 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.010 -6.730 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.163 -7.579 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.702 -6.936 -1.548 1.00 0.00 H new ATOM 317 N SER A 23 -15.751 -6.119 0.831 1.00 0.00 N ATOM 318 CA SER A 23 -17.037 -6.072 1.533 1.00 0.00 C ATOM 319 C SER A 23 -16.860 -6.326 3.023 1.00 0.00 C ATOM 320 O SER A 23 -17.756 -6.823 3.692 1.00 0.00 O ATOM 321 CB SER A 23 -18.012 -7.071 0.911 1.00 0.00 C ATOM 322 OG SER A 23 -18.488 -6.573 -0.323 1.00 0.00 O ATOM 0 H SER A 23 -15.198 -6.947 1.052 1.00 0.00 H new ATOM 0 HA SER A 23 -17.454 -5.071 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.517 -8.030 0.759 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.847 -7.247 1.589 1.00 0.00 H new ATOM 0 HG SER A 23 -19.111 -7.218 -0.718 1.00 0.00 H new ATOM 328 N TYR A 24 -15.692 -5.970 3.562 1.00 0.00 N ATOM 329 CA TYR A 24 -15.445 -6.119 4.992 1.00 0.00 C ATOM 330 C TYR A 24 -16.261 -5.121 5.808 1.00 0.00 C ATOM 331 O TYR A 24 -16.435 -5.326 6.989 1.00 0.00 O ATOM 332 CB TYR A 24 -13.953 -5.939 5.268 1.00 0.00 C ATOM 333 CG TYR A 24 -13.138 -7.170 4.988 1.00 0.00 C ATOM 334 CD1 TYR A 24 -13.085 -8.197 5.948 1.00 0.00 C ATOM 335 CD2 TYR A 24 -12.460 -7.293 3.764 1.00 0.00 C ATOM 336 CE1 TYR A 24 -12.367 -9.372 5.660 1.00 0.00 C ATOM 337 CE2 TYR A 24 -11.749 -8.470 3.471 1.00 0.00 C ATOM 338 CZ TYR A 24 -11.697 -9.513 4.424 1.00 0.00 C ATOM 339 OH TYR A 24 -10.900 -10.595 4.204 1.00 0.00 O ATOM 0 H TYR A 24 -14.911 -5.581 3.034 1.00 0.00 H new ATOM 0 HA TYR A 24 -15.756 -7.119 5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.576 -5.117 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.817 -5.652 6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.590 -8.085 6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.485 -6.484 3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.328 -10.170 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.245 -8.577 2.522 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.515 -10.540 3.305 1.00 0.00 H new ATOM 349 N GLY A 25 -16.755 -4.033 5.211 1.00 0.00 N ATOM 350 CA GLY A 25 -17.572 -3.043 5.909 1.00 0.00 C ATOM 351 C GLY A 25 -16.758 -2.277 6.950 1.00 0.00 C ATOM 352 O GLY A 25 -16.776 -2.517 8.149 1.00 0.00 O ATOM 0 H GLY A 25 -16.598 -3.815 4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.992 -2.343 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.411 -3.540 6.396 1.00 0.00 H new ATOM 356 N GLY A 26 -15.979 -1.308 6.503 1.00 0.00 N ATOM 357 CA GLY A 26 -15.154 -0.535 7.423 1.00 0.00 C ATOM 358 C GLY A 26 -14.467 0.619 6.746 1.00 0.00 C ATOM 359 O GLY A 26 -13.389 0.981 7.183 1.00 0.00 O ATOM 0 H GLY A 26 -15.898 -1.038 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.776 -0.158 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.405 -1.188 7.871 1.00 0.00 H new ATOM 363 N CYS A 27 -15.054 1.152 5.677 1.00 0.00 N ATOM 364 CA CYS A 27 -14.508 2.289 4.951 1.00 0.00 C ATOM 365 C CYS A 27 -15.585 3.294 4.625 1.00 0.00 C ATOM 366 O CYS A 27 -16.689 2.909 4.259 1.00 0.00 O ATOM 367 CB CYS A 27 -13.837 1.807 3.671 1.00 0.00 C ATOM 368 SG CYS A 27 -12.371 0.846 4.063 1.00 0.00 S ATOM 0 H CYS A 27 -15.930 0.801 5.289 1.00 0.00 H new ATOM 0 HA CYS A 27 -13.770 2.780 5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -14.534 1.201 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -13.566 2.661 3.050 1.00 0.00 H new ATOM 373 N SER A 28 -15.212 4.574 4.685 1.00 0.00 N ATOM 374 CA SER A 28 -16.144 5.664 4.375 1.00 0.00 C ATOM 375 C SER A 28 -16.640 5.584 2.934 1.00 0.00 C ATOM 376 O SER A 28 -17.787 5.901 2.657 1.00 0.00 O ATOM 377 CB SER A 28 -15.472 7.020 4.598 1.00 0.00 C ATOM 378 OG SER A 28 -15.075 7.156 5.948 1.00 0.00 O ATOM 0 H SER A 28 -14.275 4.882 4.944 1.00 0.00 H new ATOM 0 HA SER A 28 -16.998 5.560 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.604 7.115 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.160 7.822 4.332 1.00 0.00 H new ATOM 0 HG SER A 28 -14.645 8.027 6.076 1.00 0.00 H new ATOM 384 N THR A 29 -15.776 5.123 2.026 1.00 0.00 N ATOM 385 CA THR A 29 -16.103 4.986 0.607 1.00 0.00 C ATOM 386 C THR A 29 -16.133 3.519 0.192 1.00 0.00 C ATOM 387 O THR A 29 -17.205 2.951 0.014 1.00 0.00 O ATOM 388 CB THR A 29 -15.129 5.792 -0.246 1.00 0.00 C ATOM 389 OG1 THR A 29 -13.808 5.413 0.009 1.00 0.00 O ATOM 390 CG2 THR A 29 -15.120 7.282 0.037 1.00 0.00 C ATOM 0 H THR A 29 -14.826 4.833 2.257 1.00 0.00 H new ATOM 0 HA THR A 29 -17.102 5.389 0.442 1.00 0.00 H new ATOM 0 HB THR A 29 -15.471 5.592 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.495 4.817 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.398 7.772 -0.616 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.113 7.693 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.843 7.453 1.077 1.00 0.00 H new ATOM 398 N VAL A 30 -14.962 2.898 0.029 1.00 0.00 N ATOM 399 CA VAL A 30 -14.819 1.505 -0.357 1.00 0.00 C ATOM 400 C VAL A 30 -13.520 0.908 0.190 1.00 0.00 C ATOM 401 O VAL A 30 -12.500 1.567 0.371 1.00 0.00 O ATOM 402 CB VAL A 30 -14.939 1.369 -1.881 1.00 0.00 C ATOM 403 CG1 VAL A 30 -13.728 1.875 -2.644 1.00 0.00 C ATOM 404 CG2 VAL A 30 -15.130 -0.082 -2.241 1.00 0.00 C ATOM 0 H VAL A 30 -14.068 3.369 0.167 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.628 0.926 0.088 1.00 0.00 H new ATOM 0 HB VAL A 30 -15.792 1.985 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.891 1.744 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.577 2.932 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.845 1.312 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.215 -0.180 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.274 -0.659 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -16.038 -0.457 -1.770 1.00 0.00 H new ATOM 414 N CYS A 31 -13.560 -0.360 0.550 1.00 0.00 N ATOM 415 CA CYS A 31 -12.346 -1.034 0.991 1.00 0.00 C ATOM 416 C CYS A 31 -11.517 -1.483 -0.219 1.00 0.00 C ATOM 417 O CYS A 31 -12.078 -2.045 -1.153 1.00 0.00 O ATOM 418 CB CYS A 31 -12.760 -2.230 1.848 1.00 0.00 C ATOM 419 SG CYS A 31 -13.004 -2.094 3.644 1.00 0.00 S ATOM 0 H CYS A 31 -14.400 -0.938 0.548 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.724 -0.358 1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.695 -2.605 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.008 -3.003 1.691 1.00 0.00 H new ATOM 424 N CYS A 32 -10.201 -1.292 -0.169 1.00 0.00 N ATOM 425 CA CYS A 32 -9.281 -1.736 -1.207 1.00 0.00 C ATOM 426 C CYS A 32 -8.368 -2.857 -0.725 1.00 0.00 C ATOM 427 O CYS A 32 -7.896 -2.849 0.419 1.00 0.00 O ATOM 428 CB CYS A 32 -8.458 -0.541 -1.679 1.00 0.00 C ATOM 429 SG CYS A 32 -8.213 -0.581 -3.455 1.00 0.00 S ATOM 0 H CYS A 32 -9.739 -0.817 0.607 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.864 -2.141 -2.034 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.963 0.384 -1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.491 -0.541 -1.176 1.00 0.00 H new ATOM 434 N ASP A 33 -8.112 -3.823 -1.601 1.00 0.00 N ATOM 435 CA ASP A 33 -7.262 -4.958 -1.282 1.00 0.00 C ATOM 436 C ASP A 33 -5.786 -4.594 -1.481 1.00 0.00 C ATOM 437 O ASP A 33 -5.282 -4.506 -2.603 1.00 0.00 O ATOM 438 CB ASP A 33 -7.665 -6.168 -2.121 1.00 0.00 C ATOM 439 CG ASP A 33 -7.081 -7.449 -1.528 1.00 0.00 C ATOM 440 OD1 ASP A 33 -5.897 -7.394 -1.128 1.00 0.00 O ATOM 441 OD2 ASP A 33 -7.792 -8.476 -1.501 1.00 0.00 O ATOM 0 H ASP A 33 -8.488 -3.839 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.395 -5.221 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.752 -6.243 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.314 -6.041 -3.145 1.00 0.00 H new ATOM 446 N LEU A 34 -5.071 -4.376 -0.380 1.00 0.00 N ATOM 447 CA LEU A 34 -3.641 -4.084 -0.434 1.00 0.00 C ATOM 448 C LEU A 34 -2.852 -5.294 -0.952 1.00 0.00 C ATOM 449 O LEU A 34 -1.833 -5.158 -1.606 1.00 0.00 O ATOM 450 CB LEU A 34 -3.136 -3.723 0.972 1.00 0.00 C ATOM 451 CG LEU A 34 -3.925 -2.603 1.665 1.00 0.00 C ATOM 452 CD1 LEU A 34 -3.374 -2.403 3.071 1.00 0.00 C ATOM 453 CD2 LEU A 34 -3.801 -1.280 0.911 1.00 0.00 C ATOM 0 H LEU A 34 -5.460 -4.396 0.563 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.490 -3.247 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.172 -4.615 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.090 -3.424 0.903 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.974 -2.897 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.929 -1.609 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.477 -3.329 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.321 -2.128 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.372 -0.510 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.753 -0.985 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.190 -1.400 -0.100 1.00 0.00 H new ATOM 465 N SER A 35 -3.289 -6.510 -0.671 1.00 0.00 N ATOM 466 CA SER A 35 -2.617 -7.704 -1.183 1.00 0.00 C ATOM 467 C SER A 35 -2.715 -7.822 -2.702 1.00 0.00 C ATOM 468 O SER A 35 -1.767 -8.303 -3.319 1.00 0.00 O ATOM 469 CB SER A 35 -3.223 -8.948 -0.547 1.00 0.00 C ATOM 470 OG SER A 35 -3.166 -8.855 0.867 1.00 0.00 O ATOM 0 H SER A 35 -4.106 -6.702 -0.091 1.00 0.00 H new ATOM 0 HA SER A 35 -1.562 -7.615 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.258 -9.062 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.685 -9.835 -0.882 1.00 0.00 H new ATOM 0 HG SER A 35 -3.560 -9.660 1.264 1.00 0.00 H new ATOM 476 N LYS A 36 -3.829 -7.376 -3.297 1.00 0.00 N ATOM 477 CA LYS A 36 -4.021 -7.391 -4.753 1.00 0.00 C ATOM 478 C LYS A 36 -3.339 -6.212 -5.436 1.00 0.00 C ATOM 479 O LYS A 36 -2.836 -6.369 -6.542 1.00 0.00 O ATOM 480 CB LYS A 36 -5.512 -7.385 -5.096 1.00 0.00 C ATOM 481 CG LYS A 36 -6.217 -8.675 -4.647 1.00 0.00 C ATOM 482 CD LYS A 36 -7.537 -8.860 -5.402 1.00 0.00 C ATOM 483 CE LYS A 36 -8.133 -10.234 -5.092 1.00 0.00 C ATOM 484 NZ LYS A 36 -9.366 -10.460 -5.886 1.00 0.00 N ATOM 0 H LYS A 36 -4.623 -6.995 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.560 -8.307 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.989 -6.528 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.635 -7.262 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.567 -9.532 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.408 -8.637 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.240 -8.077 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.368 -8.762 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.403 -11.012 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.361 -10.306 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.756 -11.398 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.068 -9.728 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.140 -10.412 -6.900 1.00 0.00 H new ATOM 498 N LEU A 37 -3.330 -5.050 -4.780 1.00 0.00 N ATOM 499 CA LEU A 37 -2.742 -3.826 -5.328 1.00 0.00 C ATOM 500 C LEU A 37 -1.273 -3.755 -4.942 1.00 0.00 C ATOM 501 O LEU A 37 -0.388 -3.855 -5.781 1.00 0.00 O ATOM 502 CB LEU A 37 -3.506 -2.587 -4.818 1.00 0.00 C ATOM 503 CG LEU A 37 -4.700 -2.192 -5.696 1.00 0.00 C ATOM 504 CD1 LEU A 37 -5.657 -3.359 -5.920 1.00 0.00 C ATOM 505 CD2 LEU A 37 -5.438 -1.040 -5.022 1.00 0.00 C ATOM 0 H LEU A 37 -3.732 -4.931 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.820 -3.842 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.860 -2.781 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.816 -1.745 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.325 -1.891 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.487 -3.034 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.128 -4.174 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.041 -3.704 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.291 -0.747 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.788 -1.357 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.763 -0.192 -4.910 1.00 0.00 H new ATOM 517 N THR A 38 -1.022 -3.561 -3.651 1.00 0.00 N ATOM 518 CA THR A 38 0.312 -3.487 -3.085 1.00 0.00 C ATOM 519 C THR A 38 0.311 -3.450 -1.559 1.00 0.00 C ATOM 520 O THR A 38 -0.501 -2.781 -0.904 1.00 0.00 O ATOM 521 CB THR A 38 0.993 -2.215 -3.548 1.00 0.00 C ATOM 522 OG1 THR A 38 2.281 -2.318 -2.964 1.00 0.00 O ATOM 523 CG2 THR A 38 0.193 -0.959 -3.135 1.00 0.00 C ATOM 0 H THR A 38 -1.761 -3.449 -2.957 1.00 0.00 H new ATOM 0 HA THR A 38 0.832 -4.384 -3.421 1.00 0.00 H new ATOM 0 HB THR A 38 1.058 -2.106 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.946 -2.478 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.712 -0.066 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.801 -0.998 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.103 -0.925 -2.049 1.00 0.00 H new ATOM 531 N GLY A 39 1.341 -4.038 -0.959 1.00 0.00 N ATOM 532 CA GLY A 39 1.501 -4.082 0.478 1.00 0.00 C ATOM 533 C GLY A 39 2.564 -3.116 0.972 1.00 0.00 C ATOM 534 O GLY A 39 3.138 -3.382 2.006 1.00 0.00 O ATOM 0 H GLY A 39 2.093 -4.501 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.549 -3.846 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.766 -5.095 0.781 1.00 0.00 H new ATOM 538 N CYS A 40 2.788 -1.968 0.325 1.00 0.00 N ATOM 539 CA CYS A 40 3.839 -1.026 0.758 1.00 0.00 C ATOM 540 C CYS A 40 3.707 -0.681 2.243 1.00 0.00 C ATOM 541 O CYS A 40 4.589 -0.943 3.036 1.00 0.00 O ATOM 542 CB CYS A 40 3.747 0.252 -0.067 1.00 0.00 C ATOM 543 SG CYS A 40 4.986 1.516 0.328 1.00 0.00 S ATOM 0 H CYS A 40 2.263 -1.665 -0.495 1.00 0.00 H new ATOM 0 HA CYS A 40 4.806 -1.506 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.840 -0.008 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.755 0.683 0.069 1.00 0.00 H new ATOM 548 N LYS A 41 2.527 -0.213 2.645 1.00 0.00 N ATOM 549 CA LYS A 41 2.215 0.119 4.036 1.00 0.00 C ATOM 550 C LYS A 41 1.754 -1.099 4.826 1.00 0.00 C ATOM 551 O LYS A 41 2.107 -1.252 5.983 1.00 0.00 O ATOM 552 CB LYS A 41 1.161 1.234 4.097 1.00 0.00 C ATOM 553 CG LYS A 41 -0.073 0.961 3.212 1.00 0.00 C ATOM 554 CD LYS A 41 0.095 1.576 1.814 1.00 0.00 C ATOM 555 CE LYS A 41 -0.656 0.757 0.759 1.00 0.00 C ATOM 556 NZ LYS A 41 0.128 -0.415 0.314 1.00 0.00 N ATOM 0 H LYS A 41 1.749 -0.051 2.006 1.00 0.00 H new ATOM 0 HA LYS A 41 3.135 0.475 4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.837 1.361 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.619 2.174 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.228 -0.114 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.963 1.373 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.277 2.601 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.154 1.622 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.609 0.423 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.883 1.390 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.482 -1.051 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.923 -0.097 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.495 -0.922 1.144 1.00 0.00 H new ATOM 570 N GLY A 42 0.982 -1.988 4.190 1.00 0.00 N ATOM 571 CA GLY A 42 0.423 -3.173 4.834 1.00 0.00 C ATOM 572 C GLY A 42 1.520 -4.110 5.320 1.00 0.00 C ATOM 573 O GLY A 42 1.417 -4.666 6.400 1.00 0.00 O ATOM 0 H GLY A 42 0.728 -1.901 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.200 -2.872 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.223 -3.700 4.132 1.00 0.00 H new ATOM 577 N LYS A 43 2.604 -4.243 4.548 1.00 0.00 N ATOM 578 CA LYS A 43 3.790 -5.011 4.929 1.00 0.00 C ATOM 579 C LYS A 43 4.698 -4.246 5.897 1.00 0.00 C ATOM 580 O LYS A 43 5.861 -4.589 6.029 1.00 0.00 O ATOM 581 CB LYS A 43 4.574 -5.444 3.680 1.00 0.00 C ATOM 582 CG LYS A 43 3.739 -6.361 2.771 1.00 0.00 C ATOM 583 CD LYS A 43 4.647 -7.228 1.891 1.00 0.00 C ATOM 584 CE LYS A 43 3.898 -8.482 1.432 1.00 0.00 C ATOM 585 NZ LYS A 43 3.698 -9.433 2.559 1.00 0.00 N ATOM 0 H LYS A 43 2.681 -3.812 3.627 1.00 0.00 H new ATOM 0 HA LYS A 43 3.440 -5.899 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.883 -4.561 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.483 -5.963 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.099 -6.999 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.083 -5.758 2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.979 -6.656 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.540 -7.512 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.931 -8.199 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.457 -8.971 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.542 -10.390 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.542 -9.434 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.870 -9.141 3.117 1.00 0.00 H new ATOM 599 N GLY A 44 4.215 -3.183 6.528 1.00 0.00 N ATOM 600 CA GLY A 44 5.013 -2.385 7.452 1.00 0.00 C ATOM 601 C GLY A 44 6.161 -1.664 6.745 1.00 0.00 C ATOM 602 O GLY A 44 7.245 -1.522 7.303 1.00 0.00 O ATOM 0 H GLY A 44 3.258 -2.849 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.373 -1.652 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.416 -3.030 8.232 1.00 0.00 H new ATOM 606 N GLY A 45 5.968 -1.310 5.473 1.00 0.00 N ATOM 607 CA GLY A 45 6.970 -0.569 4.723 1.00 0.00 C ATOM 608 C GLY A 45 7.002 0.908 5.099 1.00 0.00 C ATOM 609 O GLY A 45 6.074 1.440 5.713 1.00 0.00 O ATOM 0 H GLY A 45 5.123 -1.528 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.952 -1.008 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.767 -0.665 3.656 1.00 0.00 H new ATOM 613 N GLU A 46 8.061 1.580 4.672 1.00 0.00 N ATOM 614 CA GLU A 46 8.274 3.001 4.905 1.00 0.00 C ATOM 615 C GLU A 46 8.967 3.664 3.703 1.00 0.00 C ATOM 616 O GLU A 46 9.710 3.041 2.933 1.00 0.00 O ATOM 617 CB GLU A 46 9.076 3.157 6.209 1.00 0.00 C ATOM 618 CG GLU A 46 9.493 4.608 6.486 1.00 0.00 C ATOM 619 CD GLU A 46 10.319 4.747 7.761 1.00 0.00 C ATOM 620 OE1 GLU A 46 11.238 3.910 7.930 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.052 5.719 8.501 1.00 0.00 O ATOM 0 H GLU A 46 8.814 1.142 4.141 1.00 0.00 H new ATOM 0 HA GLU A 46 7.319 3.514 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.477 2.791 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.967 2.532 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.070 4.984 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.601 5.230 6.565 1.00 0.00 H new ATOM 628 N CYS A 47 8.751 4.971 3.559 1.00 0.00 N ATOM 629 CA CYS A 47 9.436 5.781 2.566 1.00 0.00 C ATOM 630 C CYS A 47 10.925 5.961 2.882 1.00 0.00 C ATOM 631 O CYS A 47 11.303 6.671 3.810 1.00 0.00 O ATOM 632 CB CYS A 47 8.745 7.134 2.444 1.00 0.00 C ATOM 633 SG CYS A 47 7.046 7.045 1.799 1.00 0.00 S ATOM 0 H CYS A 47 8.091 5.496 4.134 1.00 0.00 H new ATOM 0 HA CYS A 47 9.381 5.254 1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.725 7.610 3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.337 7.775 1.791 1.00 0.00 H new ATOM 638 N ASN A 48 11.778 5.317 2.087 1.00 0.00 N ATOM 639 CA ASN A 48 13.221 5.422 2.223 1.00 0.00 C ATOM 640 C ASN A 48 13.843 6.266 1.105 1.00 0.00 C ATOM 641 O ASN A 48 13.379 6.275 -0.037 1.00 0.00 O ATOM 642 CB ASN A 48 13.838 4.024 2.266 1.00 0.00 C ATOM 643 CG ASN A 48 13.643 3.375 3.614 1.00 0.00 C ATOM 644 OD1 ASN A 48 14.595 3.170 4.346 1.00 0.00 O ATOM 645 ND2 ASN A 48 12.425 3.042 3.964 1.00 0.00 N ATOM 0 H ASN A 48 11.481 4.705 1.327 1.00 0.00 H new ATOM 0 HA ASN A 48 13.437 5.936 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.387 3.402 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.903 4.088 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.257 2.600 4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.645 3.225 3.333 1.00 0.00 H new ATOM 652 N PRO A 49 14.944 6.965 1.404 1.00 0.00 N ATOM 653 CA PRO A 49 15.650 7.771 0.421 1.00 0.00 C ATOM 654 C PRO A 49 16.287 6.895 -0.645 1.00 0.00 C ATOM 655 O PRO A 49 16.705 5.774 -0.366 1.00 0.00 O ATOM 656 CB PRO A 49 16.692 8.554 1.224 1.00 0.00 C ATOM 657 CG PRO A 49 16.934 7.694 2.466 1.00 0.00 C ATOM 658 CD PRO A 49 15.600 7.003 2.699 1.00 0.00 C ATOM 0 HA PRO A 49 14.984 8.443 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.610 8.696 0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.326 9.545 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 49 17.734 6.972 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.224 8.302 3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.744 5.997 3.094 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.999 7.548 3.426 1.00 0.00 H new ATOM 666 N LEU A 50 16.476 7.458 -1.841 1.00 0.00 N ATOM 667 CA LEU A 50 17.181 6.776 -2.934 1.00 0.00 C ATOM 668 C LEU A 50 18.631 6.403 -2.594 1.00 0.00 C ATOM 669 O LEU A 50 19.220 5.562 -3.269 1.00 0.00 O ATOM 670 CB LEU A 50 17.189 7.651 -4.202 1.00 0.00 C ATOM 671 CG LEU A 50 15.852 8.328 -4.562 1.00 0.00 C ATOM 672 CD1 LEU A 50 15.995 9.117 -5.860 1.00 0.00 C ATOM 673 CD2 LEU A 50 14.752 7.293 -4.723 1.00 0.00 C ATOM 0 H LEU A 50 16.148 8.394 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 50 16.630 5.850 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 50 17.945 8.426 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 50 17.499 7.033 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 50 15.586 9.005 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.044 9.591 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.761 9.883 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.282 8.442 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.817 7.792 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.020 6.598 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.629 6.745 -3.789 1.00 0.00 H new ATOM 685 N ASP A 51 19.173 7.014 -1.541 1.00 0.00 N ATOM 686 CA ASP A 51 20.505 6.722 -1.022 1.00 0.00 C ATOM 687 C ASP A 51 20.533 5.435 -0.180 1.00 0.00 C ATOM 688 O ASP A 51 21.588 4.846 0.075 1.00 0.00 O ATOM 689 CB ASP A 51 20.971 7.902 -0.159 1.00 0.00 C ATOM 690 CG ASP A 51 21.438 9.068 -1.023 1.00 0.00 C ATOM 691 OD1 ASP A 51 22.478 8.894 -1.694 1.00 0.00 O ATOM 692 OD2 ASP A 51 20.727 10.097 -1.011 1.00 0.00 O ATOM 0 H ASP A 51 18.687 7.740 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 51 21.171 6.573 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 51 20.155 8.228 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 51 21.784 7.581 0.492 1.00 0.00 H new ATOM 697 N ARG A 52 19.365 4.969 0.285 1.00 0.00 N ATOM 698 CA ARG A 52 19.240 3.721 1.026 1.00 0.00 C ATOM 699 C ARG A 52 19.052 2.538 0.072 1.00 0.00 C ATOM 700 O ARG A 52 18.379 2.618 -0.950 1.00 0.00 O ATOM 701 CB ARG A 52 18.080 3.847 2.025 1.00 0.00 C ATOM 702 CG ARG A 52 17.996 2.664 3.004 1.00 0.00 C ATOM 703 CD ARG A 52 18.947 2.845 4.190 1.00 0.00 C ATOM 704 NE ARG A 52 20.364 2.626 3.835 1.00 0.00 N ATOM 705 CZ ARG A 52 21.399 3.005 4.557 1.00 0.00 C ATOM 706 NH1 ARG A 52 21.235 3.621 5.694 1.00 0.00 N ATOM 707 NH2 ARG A 52 22.612 2.763 4.151 1.00 0.00 N ATOM 0 H ARG A 52 18.479 5.456 0.153 1.00 0.00 H new ATOM 0 HA ARG A 52 20.157 3.529 1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 52 18.194 4.772 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 52 17.142 3.924 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.974 2.565 3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.239 1.740 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.831 3.852 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.666 2.152 4.983 1.00 0.00 H new ATOM 0 HE ARG A 52 20.557 2.141 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.295 3.816 6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.047 3.908 6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 52 22.767 2.277 3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 52 23.408 3.060 4.716 1.00 0.00 H new ATOM 721 N GLN A 53 19.610 1.395 0.464 1.00 0.00 N ATOM 722 CA GLN A 53 19.448 0.138 -0.251 1.00 0.00 C ATOM 723 C GLN A 53 18.379 -0.744 0.385 1.00 0.00 C ATOM 724 O GLN A 53 18.493 -1.105 1.556 1.00 0.00 O ATOM 725 CB GLN A 53 20.781 -0.606 -0.277 1.00 0.00 C ATOM 726 CG GLN A 53 21.759 0.053 -1.259 1.00 0.00 C ATOM 727 CD GLN A 53 22.763 -0.965 -1.774 1.00 0.00 C ATOM 728 OE1 GLN A 53 22.506 -1.709 -2.702 1.00 0.00 O ATOM 729 NE2 GLN A 53 23.919 -1.056 -1.159 1.00 0.00 N ATOM 0 H GLN A 53 20.194 1.318 1.297 1.00 0.00 H new ATOM 0 HA GLN A 53 19.125 0.368 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 53 21.215 -0.616 0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 53 20.616 -1.645 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 53 21.209 0.485 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 53 22.283 0.872 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 53 24.133 -0.432 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 53 24.603 -1.751 -1.459 1.00 0.00 H new ATOM 738 N CYS A 54 17.362 -1.102 -0.398 1.00 0.00 N ATOM 739 CA CYS A 54 16.258 -1.946 0.041 1.00 0.00 C ATOM 740 C CYS A 54 15.330 -2.292 -1.123 1.00 0.00 C ATOM 741 O CYS A 54 15.359 -1.652 -2.174 1.00 0.00 O ATOM 742 CB CYS A 54 15.478 -1.248 1.170 1.00 0.00 C ATOM 743 SG CYS A 54 15.369 0.575 1.145 1.00 0.00 S ATOM 0 H CYS A 54 17.283 -0.807 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 54 16.671 -2.880 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 54 14.462 -1.642 1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.930 -1.542 2.118 1.00 0.00 H new ATOM 748 N LYS A 55 14.524 -3.344 -0.951 1.00 0.00 N ATOM 749 CA LYS A 55 13.541 -3.757 -1.950 1.00 0.00 C ATOM 750 C LYS A 55 12.376 -2.777 -1.998 1.00 0.00 C ATOM 751 O LYS A 55 11.568 -2.755 -1.073 1.00 0.00 O ATOM 752 CB LYS A 55 13.056 -5.168 -1.626 1.00 0.00 C ATOM 753 CG LYS A 55 12.102 -5.696 -2.710 1.00 0.00 C ATOM 754 CD LYS A 55 12.151 -7.227 -2.767 1.00 0.00 C ATOM 755 CE LYS A 55 13.263 -7.713 -3.712 1.00 0.00 C ATOM 756 NZ LYS A 55 14.572 -7.833 -3.022 1.00 0.00 N ATOM 0 H LYS A 55 14.536 -3.930 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 55 14.008 -3.759 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.912 -5.837 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.548 -5.167 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.085 -5.366 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.378 -5.281 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.320 -7.626 -1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.189 -7.612 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.985 -8.680 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.357 -7.019 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.158 -8.540 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.057 -6.913 -3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.419 -8.130 -2.037 1.00 0.00 H new ATOM 770 N GLU A 56 12.289 -2.033 -3.092 1.00 0.00 N ATOM 771 CA GLU A 56 11.220 -1.073 -3.324 1.00 0.00 C ATOM 772 C GLU A 56 10.530 -1.367 -4.653 1.00 0.00 C ATOM 773 O GLU A 56 11.187 -1.648 -5.662 1.00 0.00 O ATOM 774 CB GLU A 56 11.780 0.358 -3.205 1.00 0.00 C ATOM 775 CG GLU A 56 12.417 0.857 -4.509 1.00 0.00 C ATOM 776 CD GLU A 56 11.415 1.484 -5.481 1.00 0.00 C ATOM 777 OE1 GLU A 56 10.215 1.395 -5.160 1.00 0.00 O ATOM 778 OE2 GLU A 56 11.867 2.103 -6.473 1.00 0.00 O ATOM 0 H GLU A 56 12.967 -2.080 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 56 10.445 -1.164 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.976 1.035 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.523 0.387 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.186 1.591 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.915 0.023 -5.002 1.00 0.00 H new ATOM 785 N LEU A 57 9.201 -1.368 -4.642 1.00 0.00 N ATOM 786 CA LEU A 57 8.451 -1.456 -5.883 1.00 0.00 C ATOM 787 C LEU A 57 8.297 -0.105 -6.589 1.00 0.00 C ATOM 788 O LEU A 57 7.709 0.809 -6.032 1.00 0.00 O ATOM 789 CB LEU A 57 7.099 -2.099 -5.559 1.00 0.00 C ATOM 790 CG LEU A 57 6.051 -2.018 -6.684 1.00 0.00 C ATOM 791 CD1 LEU A 57 6.577 -2.629 -7.997 1.00 0.00 C ATOM 792 CD2 LEU A 57 4.752 -2.711 -6.264 1.00 0.00 C ATOM 0 H LEU A 57 8.630 -1.310 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 57 9.001 -2.071 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.263 -3.148 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.691 -1.621 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 57 5.848 -0.962 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.809 -2.553 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.468 -2.089 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.827 -3.678 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.025 -2.642 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.953 -3.760 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.352 -2.225 -5.374 1.00 0.00 H new ATOM 804 N GLN A 58 8.625 -0.037 -7.883 1.00 0.00 N ATOM 805 CA GLN A 58 8.466 1.188 -8.681 1.00 0.00 C ATOM 806 C GLN A 58 7.053 1.793 -8.580 1.00 0.00 C ATOM 807 O GLN A 58 6.890 3.006 -8.450 1.00 0.00 O ATOM 808 CB GLN A 58 8.810 0.899 -10.151 1.00 0.00 C ATOM 809 CG GLN A 58 7.847 -0.106 -10.816 1.00 0.00 C ATOM 810 CD GLN A 58 8.101 -0.248 -12.299 1.00 0.00 C ATOM 811 OE1 GLN A 58 7.895 0.647 -13.097 1.00 0.00 O ATOM 812 NE2 GLN A 58 8.527 -1.413 -12.716 1.00 0.00 N ATOM 0 H GLN A 58 9.007 -0.824 -8.407 1.00 0.00 H new ATOM 0 HA GLN A 58 9.155 1.927 -8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.793 1.834 -10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.827 0.511 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.953 -1.079 -10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.819 0.218 -10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.699 -2.163 -12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.687 -1.571 -13.711 1.00 0.00 H new ATOM 821 N ALA A 59 6.036 0.919 -8.579 1.00 0.00 N ATOM 822 CA ALA A 59 4.635 1.292 -8.453 1.00 0.00 C ATOM 823 C ALA A 59 4.330 1.930 -7.090 1.00 0.00 C ATOM 824 O ALA A 59 3.413 2.732 -6.971 1.00 0.00 O ATOM 825 CB ALA A 59 3.741 0.061 -8.683 1.00 0.00 C ATOM 0 H ALA A 59 6.177 -0.087 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 59 4.421 2.041 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.694 0.349 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.918 -0.336 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.977 -0.703 -7.942 1.00 0.00 H new ATOM 831 N GLU A 60 5.141 1.613 -6.086 1.00 0.00 N ATOM 832 CA GLU A 60 5.054 2.166 -4.752 1.00 0.00 C ATOM 833 C GLU A 60 5.899 3.408 -4.557 1.00 0.00 C ATOM 834 O GLU A 60 5.417 4.366 -3.954 1.00 0.00 O ATOM 835 CB GLU A 60 5.514 1.140 -3.723 1.00 0.00 C ATOM 836 CG GLU A 60 4.623 -0.072 -3.647 1.00 0.00 C ATOM 837 CD GLU A 60 3.163 0.329 -3.738 1.00 0.00 C ATOM 838 OE1 GLU A 60 2.645 0.978 -2.794 1.00 0.00 O ATOM 839 OE2 GLU A 60 2.590 -0.115 -4.754 1.00 0.00 O ATOM 0 H GLU A 60 5.901 0.940 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 60 4.006 2.434 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.528 0.822 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.555 1.614 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.867 -0.760 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.802 -0.603 -2.712 1.00 0.00 H new ATOM 846 N SER A 61 7.136 3.432 -5.069 1.00 0.00 N ATOM 847 CA SER A 61 8.004 4.618 -5.004 1.00 0.00 C ATOM 848 C SER A 61 7.324 5.880 -5.534 1.00 0.00 C ATOM 849 O SER A 61 7.623 6.990 -5.091 1.00 0.00 O ATOM 850 CB SER A 61 9.277 4.394 -5.816 1.00 0.00 C ATOM 851 OG SER A 61 9.058 4.566 -7.206 1.00 0.00 O ATOM 0 H SER A 61 7.563 2.634 -5.539 1.00 0.00 H new ATOM 0 HA SER A 61 8.234 4.763 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.047 5.089 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.653 3.388 -5.630 1.00 0.00 H new ATOM 0 HG SER A 61 8.316 3.994 -7.493 1.00 0.00 H new ATOM 857 N ALA A 62 6.358 5.695 -6.442 1.00 0.00 N ATOM 858 CA ALA A 62 5.557 6.778 -6.972 1.00 0.00 C ATOM 859 C ALA A 62 4.654 7.421 -5.913 1.00 0.00 C ATOM 860 O ALA A 62 4.487 8.639 -5.930 1.00 0.00 O ATOM 861 CB ALA A 62 4.720 6.253 -8.138 1.00 0.00 C ATOM 0 H ALA A 62 6.118 4.781 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 62 6.235 7.560 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.113 7.062 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.380 5.869 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.069 5.452 -7.787 1.00 0.00 H new ATOM 867 N SER A 63 4.096 6.621 -4.995 1.00 0.00 N ATOM 868 CA SER A 63 3.235 7.091 -3.909 1.00 0.00 C ATOM 869 C SER A 63 4.009 7.933 -2.903 1.00 0.00 C ATOM 870 O SER A 63 3.595 9.052 -2.607 1.00 0.00 O ATOM 871 CB SER A 63 2.597 5.908 -3.176 1.00 0.00 C ATOM 872 OG SER A 63 1.619 6.360 -2.259 1.00 0.00 O ATOM 0 H SER A 63 4.235 5.611 -4.989 1.00 0.00 H new ATOM 0 HA SER A 63 2.459 7.708 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.141 5.229 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.365 5.343 -2.648 1.00 0.00 H new ATOM 0 HG SER A 63 1.220 5.591 -1.800 1.00 0.00 H new ATOM 878 N CYS A 64 5.155 7.421 -2.423 1.00 0.00 N ATOM 879 CA CYS A 64 6.013 8.147 -1.483 1.00 0.00 C ATOM 880 C CYS A 64 6.347 9.559 -1.981 1.00 0.00 C ATOM 881 O CYS A 64 6.396 10.502 -1.191 1.00 0.00 O ATOM 882 CB CYS A 64 7.309 7.363 -1.240 1.00 0.00 C ATOM 883 SG CYS A 64 7.196 6.054 0.009 1.00 0.00 S ATOM 0 H CYS A 64 5.507 6.498 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 64 5.461 8.247 -0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 64 7.627 6.917 -2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 64 8.088 8.064 -0.939 1.00 0.00 H new ATOM 888 N GLY A 65 6.569 9.700 -3.290 1.00 0.00 N ATOM 889 CA GLY A 65 6.848 10.975 -3.924 1.00 0.00 C ATOM 890 C GLY A 65 8.194 10.951 -4.628 1.00 0.00 C ATOM 891 O GLY A 65 9.104 10.188 -4.302 1.00 0.00 O ATOM 0 H GLY A 65 6.558 8.916 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.062 11.207 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.840 11.767 -3.175 1.00 0.00 H new ATOM 895 N LYS A 66 8.351 11.828 -5.619 1.00 0.00 N ATOM 896 CA LYS A 66 9.603 11.953 -6.366 1.00 0.00 C ATOM 897 C LYS A 66 10.790 12.122 -5.420 1.00 0.00 C ATOM 898 O LYS A 66 10.788 13.014 -4.580 1.00 0.00 O ATOM 899 CB LYS A 66 9.527 13.160 -7.304 1.00 0.00 C ATOM 900 CG LYS A 66 8.728 12.854 -8.576 1.00 0.00 C ATOM 901 CD LYS A 66 9.586 12.116 -9.617 1.00 0.00 C ATOM 902 CE LYS A 66 10.356 13.102 -10.511 1.00 0.00 C ATOM 903 NZ LYS A 66 11.631 13.545 -9.894 1.00 0.00 N ATOM 0 H LYS A 66 7.619 12.469 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 66 9.747 11.041 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.066 13.997 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.536 13.471 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.859 12.247 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.354 13.784 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.290 11.457 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.948 11.485 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.564 12.631 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.730 13.972 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.311 13.790 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.457 14.379 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.020 12.777 -9.311 1.00 0.00 H new ATOM 917 N GLY A 67 11.829 11.314 -5.632 1.00 0.00 N ATOM 918 CA GLY A 67 13.007 11.337 -4.758 1.00 0.00 C ATOM 919 C GLY A 67 12.917 10.403 -3.549 1.00 0.00 C ATOM 920 O GLY A 67 13.731 10.496 -2.630 1.00 0.00 O ATOM 0 H GLY A 67 11.881 10.639 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.885 11.067 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.161 12.356 -4.403 1.00 0.00 H new ATOM 924 N GLN A 68 11.934 9.503 -3.535 1.00 0.00 N ATOM 925 CA GLN A 68 11.723 8.538 -2.460 1.00 0.00 C ATOM 926 C GLN A 68 11.428 7.158 -3.034 1.00 0.00 C ATOM 927 O GLN A 68 10.995 7.030 -4.178 1.00 0.00 O ATOM 928 CB GLN A 68 10.560 8.996 -1.568 1.00 0.00 C ATOM 929 CG GLN A 68 10.879 10.251 -0.748 1.00 0.00 C ATOM 930 CD GLN A 68 11.621 9.887 0.525 1.00 0.00 C ATOM 931 OE1 GLN A 68 11.040 9.610 1.555 1.00 0.00 O ATOM 932 NE2 GLN A 68 12.931 9.853 0.483 1.00 0.00 N ATOM 0 H GLN A 68 11.249 9.424 -4.287 1.00 0.00 H new ATOM 0 HA GLN A 68 12.631 8.478 -1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.688 9.191 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.292 8.186 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.483 10.936 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.955 10.773 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.420 10.085 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.461 9.594 1.315 1.00 0.00 H new ATOM 941 N LYS A 69 11.677 6.127 -2.232 1.00 0.00 N ATOM 942 CA LYS A 69 11.491 4.725 -2.594 1.00 0.00 C ATOM 943 C LYS A 69 10.799 3.975 -1.466 1.00 0.00 C ATOM 944 O LYS A 69 11.295 3.938 -0.343 1.00 0.00 O ATOM 945 CB LYS A 69 12.850 4.093 -2.916 1.00 0.00 C ATOM 946 CG LYS A 69 13.267 4.325 -4.372 1.00 0.00 C ATOM 947 CD LYS A 69 14.693 3.797 -4.630 1.00 0.00 C ATOM 948 CE LYS A 69 15.041 3.872 -6.121 1.00 0.00 C ATOM 949 NZ LYS A 69 16.237 3.051 -6.429 1.00 0.00 N ATOM 0 H LYS A 69 12.025 6.248 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 69 10.857 4.663 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.608 4.509 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.806 3.022 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.564 3.826 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.223 5.390 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.411 4.381 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.772 2.766 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.195 3.525 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.224 4.909 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.452 3.118 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.048 3.399 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.050 2.059 -6.180 1.00 0.00 H new ATOM 963 N CYS A 70 9.637 3.401 -1.766 1.00 0.00 N ATOM 964 CA CYS A 70 8.891 2.599 -0.793 1.00 0.00 C ATOM 965 C CYS A 70 9.640 1.311 -0.437 1.00 0.00 C ATOM 966 O CYS A 70 9.558 0.317 -1.157 1.00 0.00 O ATOM 967 CB CYS A 70 7.496 2.272 -1.324 1.00 0.00 C ATOM 968 SG CYS A 70 6.708 0.831 -0.493 1.00 0.00 S ATOM 0 H CYS A 70 9.188 3.475 -2.679 1.00 0.00 H new ATOM 0 HA CYS A 70 8.792 3.191 0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.856 3.146 -1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.561 2.072 -2.394 1.00 0.00 H new ATOM 973 N CYS A 71 10.345 1.300 0.686 1.00 0.00 N ATOM 974 CA CYS A 71 11.028 0.103 1.149 1.00 0.00 C ATOM 975 C CYS A 71 10.200 -0.641 2.187 1.00 0.00 C ATOM 976 O CYS A 71 9.320 -0.098 2.847 1.00 0.00 O ATOM 977 CB CYS A 71 12.396 0.494 1.679 1.00 0.00 C ATOM 978 SG CYS A 71 13.541 0.938 0.338 1.00 0.00 S ATOM 0 H CYS A 71 10.458 2.111 1.294 1.00 0.00 H new ATOM 0 HA CYS A 71 11.160 -0.588 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.293 1.337 2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.813 -0.333 2.253 1.00 0.00 H new ATOM 983 N VAL A 72 10.511 -1.914 2.364 1.00 0.00 N ATOM 984 CA VAL A 72 9.860 -2.772 3.346 1.00 0.00 C ATOM 985 C VAL A 72 10.821 -3.152 4.454 1.00 0.00 C ATOM 986 O VAL A 72 11.993 -3.419 4.193 1.00 0.00 O ATOM 987 CB VAL A 72 9.285 -4.022 2.677 1.00 0.00 C ATOM 988 CG1 VAL A 72 7.883 -3.763 2.097 1.00 0.00 C ATOM 989 CG2 VAL A 72 10.233 -4.611 1.614 1.00 0.00 C ATOM 0 H VAL A 72 11.233 -2.390 1.823 1.00 0.00 H new ATOM 0 HA VAL A 72 9.036 -2.212 3.790 1.00 0.00 H new ATOM 0 HB VAL A 72 9.185 -4.773 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.508 -4.674 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.208 -3.461 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.939 -2.970 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.777 -5.496 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.415 -3.868 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.178 -4.886 2.082 1.00 0.00 H new ATOM 999 N TRP A 73 10.275 -3.270 5.664 1.00 0.00 N ATOM 1000 CA TRP A 73 11.036 -3.650 6.852 1.00 0.00 C ATOM 1001 C TRP A 73 10.419 -4.783 7.637 1.00 0.00 C ATOM 1002 O TRP A 73 11.034 -5.199 8.614 1.00 0.00 O ATOM 1003 CB TRP A 73 11.174 -2.456 7.789 1.00 0.00 C ATOM 1004 CG TRP A 73 11.983 -1.347 7.227 1.00 0.00 C ATOM 1005 CD1 TRP A 73 11.575 -0.071 7.059 1.00 0.00 C ATOM 1006 CD2 TRP A 73 13.354 -1.419 6.742 1.00 0.00 C ATOM 1007 NE1 TRP A 73 12.609 0.658 6.502 1.00 0.00 N ATOM 1008 CE2 TRP A 73 13.724 -0.125 6.280 1.00 0.00 C ATOM 1009 CE3 TRP A 73 14.317 -2.449 6.646 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 14.996 0.139 5.754 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 15.596 -2.196 6.110 1.00 0.00 C ATOM 1012 CH2 TRP A 73 15.935 -0.904 5.665 1.00 0.00 C ATOM 0 H TRP A 73 9.286 -3.103 5.848 1.00 0.00 H new ATOM 0 HA TRP A 73 12.004 -3.988 6.481 1.00 0.00 H new ATOM 0 HB2 TRP A 73 10.180 -2.081 8.034 1.00 0.00 H new ATOM 0 HB3 TRP A 73 11.628 -2.789 8.722 1.00 0.00 H new ATOM 0 HD1 TRP A 73 10.601 0.317 7.317 1.00 0.00 H new ATOM 0 HE1 TRP A 73 12.555 1.653 6.282 1.00 0.00 H new ATOM 0 HE3 TRP A 73 14.070 -3.443 6.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 15.252 1.134 5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 16.318 -2.996 6.040 1.00 0.00 H new ATOM 0 HH2 TRP A 73 16.916 -0.714 5.255 1.00 0.00 H new ATOM 1023 N LEU A 74 9.241 -5.259 7.210 1.00 0.00 N ATOM 1024 CA LEU A 74 8.547 -6.433 7.743 1.00 0.00 C ATOM 1025 C LEU A 74 9.511 -7.430 8.408 1.00 0.00 C ATOM 1026 O LEU A 74 10.463 -7.928 7.800 1.00 0.00 O ATOM 1027 CB LEU A 74 7.708 -7.142 6.660 1.00 0.00 C ATOM 1028 CG LEU A 74 8.479 -8.076 5.708 1.00 0.00 C ATOM 1029 CD1 LEU A 74 7.521 -8.648 4.654 1.00 0.00 C ATOM 1030 CD2 LEU A 74 9.617 -7.353 4.973 1.00 0.00 C ATOM 0 H LEU A 74 8.726 -4.815 6.450 1.00 0.00 H new ATOM 0 HA LEU A 74 7.871 -6.061 8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.930 -7.723 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.206 -6.381 6.062 1.00 0.00 H new ATOM 0 HG LEU A 74 8.910 -8.867 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.071 -9.308 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.730 -9.211 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.081 -7.832 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.129 -8.055 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.206 -6.535 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.325 -6.955 5.700 1.00 0.00 H new ATOM 1042 N HIS A 75 9.276 -7.698 9.679 1.00 0.00 N ATOM 1043 CA HIS A 75 10.117 -8.629 10.414 1.00 0.00 C ATOM 1044 C HIS A 75 9.452 -9.996 10.533 1.00 0.00 C ATOM 1045 O HIS A 75 8.254 -10.001 10.884 1.00 0.00 O ATOM 1046 CB HIS A 75 10.467 -8.014 11.772 1.00 0.00 C ATOM 1047 CG HIS A 75 11.674 -8.673 12.390 1.00 0.00 C ATOM 1048 ND1 HIS A 75 11.867 -10.040 12.439 1.00 0.00 N ATOM 1049 CD2 HIS A 75 12.749 -8.047 12.968 1.00 0.00 C ATOM 1050 CE1 HIS A 75 13.052 -10.250 13.052 1.00 0.00 C ATOM 1051 NE2 HIS A 75 13.607 -9.056 13.386 1.00 0.00 N ATOM 1052 OXT HIS A 75 10.215 -10.986 10.454 1.00 0.00 O ATOM 0 H HIS A 75 8.516 -7.289 10.222 1.00 0.00 H new ATOM 0 HA HIS A 75 11.046 -8.801 9.871 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.657 -6.948 11.650 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.615 -8.111 12.445 1.00 0.00 H new ATOM 0 HD1 HIS A 75 11.234 -10.755 12.080 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.898 -6.983 13.076 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.491 -11.218 13.247 1.00 0.00 H new TER 1061 HIS A 75