USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 50 LYS NZ :NH3+ -159:sc= 0.738 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 30:sc= 0.559 USER MOD Set 2.1: A 20 SER OG : rot 82:sc= 0.0206 USER MOD Set 2.2: A 84 TYR OH : rot 101:sc= 1.73 USER MOD Single : A 1 VAL N :NH3+ -171:sc= -0.247 (180deg=-0.325) USER MOD Single : A 2 SER OG : rot 89:sc= 1.19 USER MOD Single : A 3 GLN : amide:sc=-0.00878 X(o=-0.0088,f=-0.0088) USER MOD Single : A 8 LYS NZ :NH3+ -138:sc= 1.24 (180deg=1.04) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 28 TYR OH : rot 40:sc= 0.162 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.121 K(o=-0.12,f=-4.1!) USER MOD Single : A 35 THR OG1 : rot 87:sc= 0.748 USER MOD Single : A 39 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc=-0.000128 (180deg=-0.0564) USER MOD Single : A 48 ASN : amide:sc= 0.694 K(o=0.69,f=-4.1!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= -0.0199 (180deg=-0.0822) USER MOD Single : A 65 SER OG : rot -64:sc= 1.19 USER MOD Single : A 66 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.322 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.00031) USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= 0.0973 (180deg=0.0275!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -12.602 9.383 -1.219 1.00 0.00 N ATOM 2 CA VAL A 1 -11.147 9.287 -1.475 1.00 0.00 C ATOM 3 C VAL A 1 -10.308 8.825 -0.334 1.00 0.00 C ATOM 4 O VAL A 1 -10.299 7.626 -0.061 1.00 0.00 O ATOM 5 CB VAL A 1 -10.639 10.489 -2.214 1.00 0.00 C ATOM 6 CG1 VAL A 1 -11.128 10.460 -3.672 1.00 0.00 C ATOM 7 CG2 VAL A 1 -11.043 11.829 -1.577 1.00 0.00 C ATOM 0 H1 VAL A 1 -13.101 9.564 -2.114 1.00 0.00 H new ATOM 0 H2 VAL A 1 -12.942 8.490 -0.808 1.00 0.00 H new ATOM 0 H3 VAL A 1 -12.787 10.162 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.024 8.442 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 1 -9.552 10.429 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -10.753 11.337 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -10.760 9.558 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.218 10.464 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -10.638 12.650 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -12.130 11.905 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -10.648 11.884 -0.563 1.00 0.00 H new ATOM 19 N SER A 2 -9.568 9.672 0.404 1.00 0.00 N ATOM 20 CA SER A 2 -8.608 9.307 1.399 1.00 0.00 C ATOM 21 C SER A 2 -9.171 8.615 2.592 1.00 0.00 C ATOM 22 O SER A 2 -8.469 7.879 3.284 1.00 0.00 O ATOM 23 CB SER A 2 -7.819 10.508 1.947 1.00 0.00 C ATOM 24 OG SER A 2 -6.841 10.935 1.009 1.00 0.00 O ATOM 0 H SER A 2 -9.647 10.683 0.297 1.00 0.00 H new ATOM 0 HA SER A 2 -7.965 8.622 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.502 11.329 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.336 10.235 2.885 1.00 0.00 H new ATOM 0 HG SER A 2 -7.234 11.602 0.408 1.00 0.00 H new ATOM 30 N GLN A 3 -10.469 8.799 2.893 1.00 0.00 N ATOM 31 CA GLN A 3 -11.119 8.060 3.930 1.00 0.00 C ATOM 32 C GLN A 3 -11.471 6.676 3.504 1.00 0.00 C ATOM 33 O GLN A 3 -11.233 5.691 4.202 1.00 0.00 O ATOM 34 CB GLN A 3 -12.363 8.817 4.426 1.00 0.00 C ATOM 35 CG GLN A 3 -12.032 10.095 5.199 1.00 0.00 C ATOM 36 CD GLN A 3 -11.571 9.772 6.613 1.00 0.00 C ATOM 37 OE1 GLN A 3 -12.383 9.412 7.465 1.00 0.00 O ATOM 38 NE2 GLN A 3 -10.248 9.901 6.900 1.00 0.00 N ATOM 0 H GLN A 3 -11.073 9.466 2.413 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.413 7.964 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.989 9.071 3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.949 8.157 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.253 10.649 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.910 10.739 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.596 10.201 6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.908 9.698 7.840 1.00 0.00 H new ATOM 47 N LEU A 4 -12.002 6.543 2.276 1.00 0.00 N ATOM 48 CA LEU A 4 -12.387 5.311 1.659 1.00 0.00 C ATOM 49 C LEU A 4 -11.216 4.400 1.525 1.00 0.00 C ATOM 50 O LEU A 4 -11.261 3.210 1.834 1.00 0.00 O ATOM 51 CB LEU A 4 -12.876 5.510 0.214 1.00 0.00 C ATOM 52 CG LEU A 4 -13.370 4.209 -0.444 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.380 3.412 0.397 1.00 0.00 C ATOM 54 CD2 LEU A 4 -14.028 4.572 -1.786 1.00 0.00 C ATOM 0 H LEU A 4 -12.174 7.349 1.675 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.173 4.907 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.684 6.242 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.065 5.926 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.497 3.566 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.673 2.512 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.923 3.133 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.261 4.026 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.387 3.665 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.867 5.245 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.297 5.063 -2.428 1.00 0.00 H new ATOM 66 N PHE A 5 -10.100 5.008 1.084 1.00 0.00 N ATOM 67 CA PHE A 5 -8.787 4.457 0.958 1.00 0.00 C ATOM 68 C PHE A 5 -8.392 3.648 2.145 1.00 0.00 C ATOM 69 O PHE A 5 -7.827 2.564 2.010 1.00 0.00 O ATOM 70 CB PHE A 5 -7.891 5.669 0.654 1.00 0.00 C ATOM 71 CG PHE A 5 -6.443 5.435 0.920 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.647 4.875 -0.052 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.949 5.640 2.186 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.391 4.418 0.273 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.691 5.196 2.518 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.931 4.568 1.560 1.00 0.00 C ATOM 0 H PHE A 5 -10.123 5.983 0.787 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.705 3.722 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.017 5.948 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.228 6.516 1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.007 4.794 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.551 6.152 2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.772 3.946 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.305 5.338 3.517 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.956 4.186 1.823 1.00 0.00 H new ATOM 86 N GLU A 6 -8.736 4.105 3.362 1.00 0.00 N ATOM 87 CA GLU A 6 -8.437 3.415 4.579 1.00 0.00 C ATOM 88 C GLU A 6 -9.325 2.235 4.776 1.00 0.00 C ATOM 89 O GLU A 6 -8.845 1.145 5.086 1.00 0.00 O ATOM 90 CB GLU A 6 -8.580 4.314 5.818 1.00 0.00 C ATOM 91 CG GLU A 6 -7.420 5.304 5.941 1.00 0.00 C ATOM 92 CD GLU A 6 -7.621 6.324 7.052 1.00 0.00 C ATOM 93 OE1 GLU A 6 -8.709 6.366 7.688 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.668 7.113 7.288 1.00 0.00 O ATOM 0 H GLU A 6 -9.238 4.982 3.504 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.399 3.097 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.521 4.862 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.625 3.694 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.498 4.753 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.295 5.828 4.993 1.00 0.00 H new ATOM 101 N GLU A 7 -10.643 2.399 4.564 1.00 0.00 N ATOM 102 CA GLU A 7 -11.587 1.335 4.701 1.00 0.00 C ATOM 103 C GLU A 7 -11.312 0.168 3.817 1.00 0.00 C ATOM 104 O GLU A 7 -11.455 -0.993 4.196 1.00 0.00 O ATOM 105 CB GLU A 7 -13.028 1.760 4.373 1.00 0.00 C ATOM 106 CG GLU A 7 -13.361 3.199 4.774 1.00 0.00 C ATOM 107 CD GLU A 7 -14.824 3.536 4.520 1.00 0.00 C ATOM 108 OE1 GLU A 7 -15.636 2.600 4.292 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.171 4.744 4.595 1.00 0.00 O ATOM 0 H GLU A 7 -11.061 3.289 4.292 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.480 1.059 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.195 1.645 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.719 1.084 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.133 3.343 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.728 3.887 4.215 1.00 0.00 H new ATOM 116 N LYS A 8 -10.904 0.489 2.576 1.00 0.00 N ATOM 117 CA LYS A 8 -10.433 -0.388 1.549 1.00 0.00 C ATOM 118 C LYS A 8 -9.141 -1.038 1.909 1.00 0.00 C ATOM 119 O LYS A 8 -8.999 -2.255 1.807 1.00 0.00 O ATOM 120 CB LYS A 8 -10.208 0.425 0.263 1.00 0.00 C ATOM 121 CG LYS A 8 -11.462 0.932 -0.451 1.00 0.00 C ATOM 122 CD LYS A 8 -12.564 -0.096 -0.717 1.00 0.00 C ATOM 123 CE LYS A 8 -13.277 0.174 -2.043 1.00 0.00 C ATOM 124 NZ LYS A 8 -14.513 -0.627 -2.184 1.00 0.00 N ATOM 0 H LYS A 8 -10.905 1.460 2.263 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.186 -1.165 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.583 1.284 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.643 -0.191 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.888 1.741 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.160 1.362 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.133 -1.097 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.288 -0.073 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.522 1.234 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.603 -0.052 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.578 -0.997 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.491 -1.420 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.340 -0.028 -1.986 1.00 0.00 H new ATOM 138 N ALA A 9 -8.132 -0.257 2.335 1.00 0.00 N ATOM 139 CA ALA A 9 -6.788 -0.730 2.459 1.00 0.00 C ATOM 140 C ALA A 9 -6.583 -1.734 3.540 1.00 0.00 C ATOM 141 O ALA A 9 -6.038 -2.825 3.378 1.00 0.00 O ATOM 142 CB ALA A 9 -5.836 0.435 2.779 1.00 0.00 C ATOM 0 H ALA A 9 -8.252 0.721 2.598 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.580 -1.200 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.817 0.058 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.880 1.172 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.135 0.902 3.717 1.00 0.00 H new ATOM 148 N LYS A 10 -7.094 -1.350 4.723 1.00 0.00 N ATOM 149 CA LYS A 10 -7.109 -2.130 5.923 1.00 0.00 C ATOM 150 C LYS A 10 -7.964 -3.347 5.838 1.00 0.00 C ATOM 151 O LYS A 10 -7.875 -4.245 6.674 1.00 0.00 O ATOM 152 CB LYS A 10 -7.602 -1.174 7.022 1.00 0.00 C ATOM 153 CG LYS A 10 -6.625 -0.038 7.331 1.00 0.00 C ATOM 154 CD LYS A 10 -7.090 0.768 8.545 1.00 0.00 C ATOM 155 CE LYS A 10 -6.193 1.963 8.877 1.00 0.00 C ATOM 156 NZ LYS A 10 -6.547 2.472 10.221 1.00 0.00 N ATOM 0 H LYS A 10 -7.525 -0.434 4.850 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.113 -2.524 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.558 -0.747 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.783 -1.744 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.633 -0.448 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.539 0.618 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.104 1.126 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.135 0.108 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.145 1.666 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.320 2.748 8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.942 3.285 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.544 2.769 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.405 1.720 10.925 1.00 0.00 H new ATOM 170 N ALA A 11 -8.842 -3.437 4.824 1.00 0.00 N ATOM 171 CA ALA A 11 -9.427 -4.674 4.408 1.00 0.00 C ATOM 172 C ALA A 11 -8.443 -5.490 3.643 1.00 0.00 C ATOM 173 O ALA A 11 -8.103 -6.590 4.075 1.00 0.00 O ATOM 174 CB ALA A 11 -10.711 -4.463 3.588 1.00 0.00 C ATOM 0 H ALA A 11 -9.153 -2.632 4.280 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.707 -5.217 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.119 -5.430 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.444 -3.928 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.481 -3.881 2.696 1.00 0.00 H new ATOM 180 N VAL A 12 -7.906 -5.018 2.503 1.00 0.00 N ATOM 181 CA VAL A 12 -7.143 -5.818 1.596 1.00 0.00 C ATOM 182 C VAL A 12 -5.845 -6.314 2.135 1.00 0.00 C ATOM 183 O VAL A 12 -5.411 -7.411 1.790 1.00 0.00 O ATOM 184 CB VAL A 12 -6.954 -5.202 0.241 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.346 -5.154 -0.411 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.260 -3.830 0.278 1.00 0.00 C ATOM 0 H VAL A 12 -8.006 -4.048 2.203 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.780 -6.694 1.468 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.269 -5.807 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.267 -4.712 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.744 -6.165 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.015 -4.550 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.158 -3.447 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.857 -3.136 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.273 -3.934 0.728 1.00 0.00 H new ATOM 196 N ASN A 13 -5.215 -5.581 3.071 1.00 0.00 N ATOM 197 CA ASN A 13 -4.007 -6.048 3.679 1.00 0.00 C ATOM 198 C ASN A 13 -4.239 -7.116 4.690 1.00 0.00 C ATOM 199 O ASN A 13 -3.309 -7.810 5.099 1.00 0.00 O ATOM 200 CB ASN A 13 -3.243 -4.889 4.344 1.00 0.00 C ATOM 201 CG ASN A 13 -2.765 -3.871 3.319 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.281 -4.199 2.237 1.00 0.00 O ATOM 203 ND2 ASN A 13 -2.844 -2.564 3.686 1.00 0.00 N ATOM 0 H ASN A 13 -5.538 -4.673 3.405 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.413 -6.475 2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.888 -4.397 5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.387 -5.284 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.499 -1.837 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.249 -2.311 4.587 1.00 0.00 H new ATOM 210 N GLU A 14 -5.499 -7.297 5.125 1.00 0.00 N ATOM 211 CA GLU A 14 -5.916 -8.140 6.202 1.00 0.00 C ATOM 212 C GLU A 14 -6.604 -9.382 5.753 1.00 0.00 C ATOM 213 O GLU A 14 -6.504 -10.415 6.414 1.00 0.00 O ATOM 214 CB GLU A 14 -6.878 -7.352 7.108 1.00 0.00 C ATOM 215 CG GLU A 14 -7.254 -8.029 8.427 1.00 0.00 C ATOM 216 CD GLU A 14 -8.374 -7.278 9.134 1.00 0.00 C ATOM 217 OE1 GLU A 14 -9.539 -7.355 8.661 1.00 0.00 O ATOM 218 OE2 GLU A 14 -8.106 -6.585 10.151 1.00 0.00 O ATOM 0 H GLU A 14 -6.286 -6.816 4.689 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.013 -8.444 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.426 -6.386 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.793 -7.154 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.566 -9.056 8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.379 -8.077 9.076 1.00 0.00 H new ATOM 225 N LEU A 15 -7.342 -9.315 4.631 1.00 0.00 N ATOM 226 CA LEU A 15 -8.257 -10.266 4.079 1.00 0.00 C ATOM 227 C LEU A 15 -7.794 -11.681 4.029 1.00 0.00 C ATOM 228 O LEU A 15 -6.590 -11.933 3.993 1.00 0.00 O ATOM 229 CB LEU A 15 -8.649 -9.794 2.668 1.00 0.00 C ATOM 230 CG LEU A 15 -9.871 -8.865 2.563 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.092 -8.465 1.095 1.00 0.00 C ATOM 232 CD2 LEU A 15 -11.188 -9.434 3.116 1.00 0.00 C ATOM 0 H LEU A 15 -7.287 -8.487 4.038 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.103 -10.292 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.793 -9.280 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.838 -10.675 2.055 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.624 -8.011 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.958 -7.807 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.209 -7.945 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.265 -9.359 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.983 -8.698 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.447 -10.343 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.069 -9.664 4.175 1.00 0.00 H new ATOM 244 N PRO A 16 -8.634 -12.672 4.017 1.00 0.00 N ATOM 245 CA PRO A 16 -8.220 -14.044 4.087 1.00 0.00 C ATOM 246 C PRO A 16 -7.648 -14.518 2.795 1.00 0.00 C ATOM 247 O PRO A 16 -7.004 -15.566 2.764 1.00 0.00 O ATOM 248 CB PRO A 16 -9.513 -14.796 4.394 1.00 0.00 C ATOM 249 CG PRO A 16 -10.605 -13.985 3.680 1.00 0.00 C ATOM 250 CD PRO A 16 -10.059 -12.550 3.749 1.00 0.00 C ATOM 0 HA PRO A 16 -7.438 -14.196 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.474 -15.821 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.696 -14.850 5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.747 -14.315 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.569 -14.076 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.235 -12.021 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.556 -11.981 4.535 1.00 0.00 H new ATOM 258 N THR A 17 -7.866 -13.770 1.699 1.00 0.00 N ATOM 259 CA THR A 17 -7.271 -14.018 0.423 1.00 0.00 C ATOM 260 C THR A 17 -6.348 -12.860 0.250 1.00 0.00 C ATOM 261 O THR A 17 -6.637 -11.870 -0.419 1.00 0.00 O ATOM 262 CB THR A 17 -8.296 -14.075 -0.671 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.288 -15.045 -0.369 1.00 0.00 O ATOM 264 CG2 THR A 17 -7.693 -14.464 -2.032 1.00 0.00 C ATOM 0 H THR A 17 -8.483 -12.958 1.702 1.00 0.00 H new ATOM 0 HA THR A 17 -6.764 -14.981 0.373 1.00 0.00 H new ATOM 0 HB THR A 17 -8.717 -13.072 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.951 -15.070 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.481 -14.489 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.940 -13.730 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.231 -15.448 -1.957 1.00 0.00 H new ATOM 272 N LYS A 18 -5.208 -12.917 0.959 1.00 0.00 N ATOM 273 CA LYS A 18 -4.204 -11.898 0.960 1.00 0.00 C ATOM 274 C LYS A 18 -3.659 -11.592 -0.393 1.00 0.00 C ATOM 275 O LYS A 18 -3.565 -12.515 -1.201 1.00 0.00 O ATOM 276 CB LYS A 18 -3.072 -12.255 1.939 1.00 0.00 C ATOM 277 CG LYS A 18 -3.542 -12.249 3.395 1.00 0.00 C ATOM 278 CD LYS A 18 -2.409 -12.424 4.409 1.00 0.00 C ATOM 279 CE LYS A 18 -2.851 -12.046 5.825 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.755 -12.234 6.800 1.00 0.00 N ATOM 0 H LYS A 18 -4.975 -13.708 1.559 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.697 -10.986 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.677 -13.240 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.254 -11.544 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.057 -11.310 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.270 -13.048 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.068 -13.459 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.560 -11.806 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.179 -11.007 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.707 -12.655 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.086 -11.969 7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.459 -13.231 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.948 -11.634 6.535 1.00 0.00 H new ATOM 294 N PRO A 19 -3.321 -10.386 -0.743 1.00 0.00 N ATOM 295 CA PRO A 19 -3.244 -9.963 -2.110 1.00 0.00 C ATOM 296 C PRO A 19 -2.173 -10.664 -2.872 1.00 0.00 C ATOM 297 O PRO A 19 -1.110 -10.910 -2.302 1.00 0.00 O ATOM 298 CB PRO A 19 -2.974 -8.461 -2.059 1.00 0.00 C ATOM 299 CG PRO A 19 -3.459 -8.027 -0.666 1.00 0.00 C ATOM 300 CD PRO A 19 -3.127 -9.272 0.173 1.00 0.00 C ATOM 0 HA PRO A 19 -4.170 -10.203 -2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.915 -8.244 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.511 -7.935 -2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.938 -7.139 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.524 -7.797 -0.655 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.104 -9.238 0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.781 -9.352 1.041 1.00 0.00 H new ATOM 308 N SER A 20 -2.377 -11.047 -4.145 1.00 0.00 N ATOM 309 CA SER A 20 -1.412 -11.781 -4.904 1.00 0.00 C ATOM 310 C SER A 20 -0.162 -11.020 -5.184 1.00 0.00 C ATOM 311 O SER A 20 -0.178 -9.790 -5.221 1.00 0.00 O ATOM 312 CB SER A 20 -1.949 -12.260 -6.262 1.00 0.00 C ATOM 313 OG SER A 20 -3.051 -13.143 -6.106 1.00 0.00 O ATOM 0 H SER A 20 -3.233 -10.842 -4.659 1.00 0.00 H new ATOM 0 HA SER A 20 -1.191 -12.631 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.253 -11.399 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.154 -12.763 -6.812 1.00 0.00 H new ATOM 0 HG SER A 20 -3.868 -12.623 -5.958 1.00 0.00 H new ATOM 319 N THR A 21 0.967 -11.719 -5.391 1.00 0.00 N ATOM 320 CA THR A 21 2.313 -11.236 -5.444 1.00 0.00 C ATOM 321 C THR A 21 2.537 -9.949 -6.159 1.00 0.00 C ATOM 322 O THR A 21 3.059 -8.987 -5.596 1.00 0.00 O ATOM 323 CB THR A 21 3.261 -12.239 -6.032 1.00 0.00 C ATOM 324 OG1 THR A 21 3.062 -13.525 -5.460 1.00 0.00 O ATOM 325 CG2 THR A 21 4.729 -11.869 -5.760 1.00 0.00 C ATOM 0 H THR A 21 0.931 -12.728 -5.536 1.00 0.00 H new ATOM 0 HA THR A 21 2.513 -11.056 -4.388 1.00 0.00 H new ATOM 0 HB THR A 21 3.060 -12.244 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.690 -14.162 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.382 -12.621 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.946 -10.896 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.900 -11.828 -4.684 1.00 0.00 H new ATOM 333 N ASP A 22 2.136 -9.876 -7.441 1.00 0.00 N ATOM 334 CA ASP A 22 2.308 -8.755 -8.311 1.00 0.00 C ATOM 335 C ASP A 22 1.414 -7.610 -7.982 1.00 0.00 C ATOM 336 O ASP A 22 1.777 -6.444 -8.132 1.00 0.00 O ATOM 337 CB ASP A 22 2.039 -9.184 -9.764 1.00 0.00 C ATOM 338 CG ASP A 22 3.028 -10.246 -10.220 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.892 -11.435 -9.825 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.960 -9.905 -10.996 1.00 0.00 O ATOM 0 H ASP A 22 1.660 -10.653 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 22 3.336 -8.417 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.023 -9.570 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.106 -8.316 -10.420 1.00 0.00 H new ATOM 345 N GLU A 23 0.197 -7.907 -7.493 1.00 0.00 N ATOM 346 CA GLU A 23 -0.839 -6.965 -7.204 1.00 0.00 C ATOM 347 C GLU A 23 -0.540 -6.245 -5.933 1.00 0.00 C ATOM 348 O GLU A 23 -0.571 -5.017 -5.879 1.00 0.00 O ATOM 349 CB GLU A 23 -2.231 -7.617 -7.148 1.00 0.00 C ATOM 350 CG GLU A 23 -2.678 -8.142 -8.514 1.00 0.00 C ATOM 351 CD GLU A 23 -4.135 -8.572 -8.610 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.842 -8.794 -7.592 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.628 -8.677 -9.765 1.00 0.00 O ATOM 0 H GLU A 23 -0.080 -8.867 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.863 -6.248 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.217 -8.438 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.957 -6.889 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.497 -7.366 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.049 -8.992 -8.780 1.00 0.00 H new ATOM 360 N LEU A 24 -0.154 -6.980 -4.875 1.00 0.00 N ATOM 361 CA LEU A 24 0.316 -6.500 -3.613 1.00 0.00 C ATOM 362 C LEU A 24 1.304 -5.386 -3.665 1.00 0.00 C ATOM 363 O LEU A 24 1.263 -4.461 -2.856 1.00 0.00 O ATOM 364 CB LEU A 24 0.970 -7.707 -2.920 1.00 0.00 C ATOM 365 CG LEU A 24 1.440 -7.508 -1.470 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.284 -7.100 -0.541 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.063 -8.828 -0.984 1.00 0.00 C ATOM 0 H LEU A 24 -0.173 -7.999 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.541 -6.079 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.259 -8.533 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.829 -8.015 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 24 2.170 -6.699 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.661 -6.970 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.150 -6.163 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.480 -7.878 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.405 -8.712 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.317 -9.621 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.909 -9.087 -1.621 1.00 0.00 H new ATOM 379 N LEU A 25 2.233 -5.408 -4.637 1.00 0.00 N ATOM 380 CA LEU A 25 3.276 -4.436 -4.752 1.00 0.00 C ATOM 381 C LEU A 25 2.828 -3.113 -5.271 1.00 0.00 C ATOM 382 O LEU A 25 3.199 -2.070 -4.734 1.00 0.00 O ATOM 383 CB LEU A 25 4.459 -5.077 -5.497 1.00 0.00 C ATOM 384 CG LEU A 25 4.779 -4.634 -6.935 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.665 -3.377 -6.939 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.470 -5.772 -7.705 1.00 0.00 C ATOM 0 H LEU A 25 2.260 -6.123 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 25 3.621 -4.160 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.353 -4.908 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.287 -6.153 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 25 3.839 -4.392 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.877 -3.084 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.146 -2.565 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.601 -3.590 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.690 -5.443 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.399 -6.041 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.812 -6.640 -7.739 1.00 0.00 H new ATOM 398 N GLU A 26 1.965 -3.076 -6.303 1.00 0.00 N ATOM 399 CA GLU A 26 1.432 -1.849 -6.809 1.00 0.00 C ATOM 400 C GLU A 26 0.386 -1.300 -5.901 1.00 0.00 C ATOM 401 O GLU A 26 0.207 -0.088 -5.785 1.00 0.00 O ATOM 402 CB GLU A 26 1.000 -1.938 -8.282 1.00 0.00 C ATOM 403 CG GLU A 26 -0.105 -2.929 -8.656 1.00 0.00 C ATOM 404 CD GLU A 26 -0.278 -3.004 -10.166 1.00 0.00 C ATOM 405 OE1 GLU A 26 0.666 -3.464 -10.861 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.349 -2.599 -10.693 1.00 0.00 O ATOM 0 H GLU A 26 1.633 -3.907 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 26 2.243 -1.121 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.676 -0.945 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.882 -2.185 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.139 -3.917 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.044 -2.625 -8.193 1.00 0.00 H new ATOM 413 N LEU A 27 -0.293 -2.169 -5.131 1.00 0.00 N ATOM 414 CA LEU A 27 -1.190 -1.780 -4.088 1.00 0.00 C ATOM 415 C LEU A 27 -0.487 -1.230 -2.895 1.00 0.00 C ATOM 416 O LEU A 27 -0.956 -0.254 -2.311 1.00 0.00 O ATOM 417 CB LEU A 27 -2.125 -2.941 -3.711 1.00 0.00 C ATOM 418 CG LEU A 27 -3.409 -3.043 -4.553 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.424 -1.954 -4.167 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.212 -3.053 -6.078 1.00 0.00 C ATOM 0 H LEU A 27 -0.214 -3.180 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.798 -0.965 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.573 -3.876 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.404 -2.837 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.798 -4.030 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.318 -2.056 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.692 -2.062 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.982 -0.971 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.182 -3.128 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.719 -2.132 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.596 -3.907 -6.360 1.00 0.00 H new ATOM 432 N TYR A 28 0.679 -1.770 -2.501 1.00 0.00 N ATOM 433 CA TYR A 28 1.573 -1.223 -1.528 1.00 0.00 C ATOM 434 C TYR A 28 1.953 0.181 -1.852 1.00 0.00 C ATOM 435 O TYR A 28 1.815 1.054 -0.997 1.00 0.00 O ATOM 436 CB TYR A 28 2.821 -2.098 -1.327 1.00 0.00 C ATOM 437 CG TYR A 28 3.896 -1.550 -0.453 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.790 -0.643 -0.970 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.065 -1.966 0.847 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.822 -0.141 -0.211 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.121 -1.509 1.601 1.00 0.00 C ATOM 442 CZ TYR A 28 6.000 -0.592 1.075 1.00 0.00 C ATOM 443 OH TYR A 28 7.047 -0.059 1.857 1.00 0.00 O ATOM 0 H TYR A 28 1.020 -2.649 -2.889 1.00 0.00 H new ATOM 0 HA TYR A 28 1.029 -1.211 -0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.502 -3.054 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.252 -2.304 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.680 -0.317 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.360 -2.660 1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.488 0.603 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.260 -1.872 2.609 1.00 0.00 H new ATOM 0 HH TYR A 28 7.120 0.904 1.693 1.00 0.00 H new ATOM 453 N ALA A 29 2.429 0.465 -3.078 1.00 0.00 N ATOM 454 CA ALA A 29 2.798 1.781 -3.500 1.00 0.00 C ATOM 455 C ALA A 29 1.778 2.836 -3.243 1.00 0.00 C ATOM 456 O ALA A 29 2.051 3.876 -2.645 1.00 0.00 O ATOM 457 CB ALA A 29 3.157 1.745 -4.995 1.00 0.00 C ATOM 0 H ALA A 29 2.561 -0.244 -3.799 1.00 0.00 H new ATOM 0 HA ALA A 29 3.655 2.065 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.440 2.744 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.991 1.061 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.295 1.404 -5.568 1.00 0.00 H new ATOM 463 N LEU A 30 0.517 2.575 -3.630 1.00 0.00 N ATOM 464 CA LEU A 30 -0.589 3.431 -3.332 1.00 0.00 C ATOM 465 C LEU A 30 -0.959 3.507 -1.890 1.00 0.00 C ATOM 466 O LEU A 30 -1.174 4.595 -1.359 1.00 0.00 O ATOM 467 CB LEU A 30 -1.850 2.959 -4.075 1.00 0.00 C ATOM 468 CG LEU A 30 -1.959 3.490 -5.514 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.474 2.487 -6.574 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.441 3.815 -5.767 1.00 0.00 C ATOM 0 H LEU A 30 0.259 1.746 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.249 4.417 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.860 1.869 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.730 3.274 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.316 4.366 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.579 2.927 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.427 2.245 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.072 1.578 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.562 4.196 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.038 2.911 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.775 4.569 -5.054 1.00 0.00 H new ATOM 482 N TYR A 31 -1.060 2.357 -1.199 1.00 0.00 N ATOM 483 CA TYR A 31 -1.358 2.269 0.197 1.00 0.00 C ATOM 484 C TYR A 31 -0.406 3.083 1.003 1.00 0.00 C ATOM 485 O TYR A 31 -0.765 3.952 1.795 1.00 0.00 O ATOM 486 CB TYR A 31 -1.395 0.814 0.695 1.00 0.00 C ATOM 487 CG TYR A 31 -1.643 0.754 2.162 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.731 1.363 2.744 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.656 0.240 2.971 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.887 1.377 4.109 1.00 0.00 C ATOM 491 CE2 TYR A 31 -0.769 0.319 4.339 1.00 0.00 C ATOM 492 CZ TYR A 31 -1.891 0.872 4.910 1.00 0.00 C ATOM 493 OH TYR A 31 -1.982 1.008 6.312 1.00 0.00 O ATOM 0 H TYR A 31 -0.927 1.445 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.359 2.679 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.177 0.266 0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.450 0.323 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.473 1.837 2.119 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.212 -0.228 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.786 1.782 4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.026 -0.055 4.967 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.198 0.596 6.732 1.00 0.00 H new ATOM 503 N LYS A 32 0.911 2.876 0.822 1.00 0.00 N ATOM 504 CA LYS A 32 1.923 3.646 1.479 1.00 0.00 C ATOM 505 C LYS A 32 1.918 5.077 1.067 1.00 0.00 C ATOM 506 O LYS A 32 2.197 5.940 1.899 1.00 0.00 O ATOM 507 CB LYS A 32 3.282 2.934 1.362 1.00 0.00 C ATOM 508 CG LYS A 32 3.289 1.520 1.943 1.00 0.00 C ATOM 509 CD LYS A 32 2.891 1.367 3.413 1.00 0.00 C ATOM 510 CE LYS A 32 3.679 2.287 4.349 1.00 0.00 C ATOM 511 NZ LYS A 32 3.593 1.845 5.759 1.00 0.00 N ATOM 0 H LYS A 32 1.282 2.155 0.203 1.00 0.00 H new ATOM 0 HA LYS A 32 1.696 3.698 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.568 2.887 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.039 3.530 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.616 0.905 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.291 1.109 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.827 1.577 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.043 0.332 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.724 2.311 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.298 3.305 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.140 2.494 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.598 1.846 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.980 0.884 5.846 1.00 0.00 H new ATOM 525 N GLN A 33 1.515 5.435 -0.165 1.00 0.00 N ATOM 526 CA GLN A 33 1.376 6.813 -0.522 1.00 0.00 C ATOM 527 C GLN A 33 0.338 7.582 0.221 1.00 0.00 C ATOM 528 O GLN A 33 0.634 8.637 0.779 1.00 0.00 O ATOM 529 CB GLN A 33 1.149 7.074 -2.020 1.00 0.00 C ATOM 530 CG GLN A 33 2.454 7.408 -2.747 1.00 0.00 C ATOM 531 CD GLN A 33 3.084 8.726 -2.322 1.00 0.00 C ATOM 532 OE1 GLN A 33 2.568 9.813 -2.581 1.00 0.00 O ATOM 533 NE2 GLN A 33 4.263 8.660 -1.647 1.00 0.00 N ATOM 0 H GLN A 33 1.287 4.776 -0.909 1.00 0.00 H new ATOM 0 HA GLN A 33 2.359 7.178 -0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.694 6.195 -2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.445 7.897 -2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.169 6.604 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.262 7.439 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.681 7.753 -1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.729 9.517 -1.350 1.00 0.00 H new ATOM 542 N ALA A 34 -0.928 7.131 0.280 1.00 0.00 N ATOM 543 CA ALA A 34 -1.943 7.883 0.952 1.00 0.00 C ATOM 544 C ALA A 34 -2.000 7.589 2.412 1.00 0.00 C ATOM 545 O ALA A 34 -2.615 8.339 3.167 1.00 0.00 O ATOM 546 CB ALA A 34 -3.308 7.778 0.250 1.00 0.00 C ATOM 0 H ALA A 34 -1.247 6.255 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.656 8.932 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.045 8.365 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.224 8.159 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.624 6.735 0.222 1.00 0.00 H new ATOM 552 N THR A 35 -1.307 6.546 2.902 1.00 0.00 N ATOM 553 CA THR A 35 -1.075 6.365 4.302 1.00 0.00 C ATOM 554 C THR A 35 -0.140 7.386 4.854 1.00 0.00 C ATOM 555 O THR A 35 -0.441 8.063 5.834 1.00 0.00 O ATOM 556 CB THR A 35 -0.563 4.997 4.639 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.598 4.061 4.379 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.233 4.833 6.133 1.00 0.00 C ATOM 0 H THR A 35 -0.901 5.816 2.317 1.00 0.00 H new ATOM 0 HA THR A 35 -2.053 6.487 4.767 1.00 0.00 H new ATOM 0 HB THR A 35 0.339 4.843 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.560 3.783 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.133 3.823 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.534 5.554 6.418 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.132 5.006 6.725 1.00 0.00 H new ATOM 566 N VAL A 36 1.056 7.539 4.256 1.00 0.00 N ATOM 567 CA VAL A 36 2.057 8.461 4.694 1.00 0.00 C ATOM 568 C VAL A 36 1.882 9.820 4.110 1.00 0.00 C ATOM 569 O VAL A 36 1.700 10.813 4.813 1.00 0.00 O ATOM 570 CB VAL A 36 3.411 7.931 4.323 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.530 8.846 4.848 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.587 6.503 4.868 1.00 0.00 C ATOM 0 H VAL A 36 1.336 7.000 3.437 1.00 0.00 H new ATOM 0 HA VAL A 36 1.960 8.559 5.775 1.00 0.00 H new ATOM 0 HB VAL A 36 3.481 7.908 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.499 8.436 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.417 9.842 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.468 8.910 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.573 6.128 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.492 6.514 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.821 5.855 4.443 1.00 0.00 H new ATOM 582 N GLY A 37 1.970 9.909 2.770 1.00 0.00 N ATOM 583 CA GLY A 37 1.934 11.084 1.954 1.00 0.00 C ATOM 584 C GLY A 37 3.244 11.351 1.295 1.00 0.00 C ATOM 585 O GLY A 37 3.310 11.947 0.222 1.00 0.00 O ATOM 0 H GLY A 37 2.077 9.069 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.162 10.972 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.656 11.942 2.567 1.00 0.00 H new ATOM 589 N ASP A 38 4.338 10.882 1.920 1.00 0.00 N ATOM 590 CA ASP A 38 5.654 10.868 1.362 1.00 0.00 C ATOM 591 C ASP A 38 6.079 9.441 1.300 1.00 0.00 C ATOM 592 O ASP A 38 5.340 8.546 1.710 1.00 0.00 O ATOM 593 CB ASP A 38 6.661 11.620 2.250 1.00 0.00 C ATOM 594 CG ASP A 38 6.253 13.063 2.505 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.401 13.307 3.401 1.00 0.00 O ATOM 596 OD2 ASP A 38 6.832 13.984 1.870 1.00 0.00 O ATOM 0 H ASP A 38 4.303 10.493 2.862 1.00 0.00 H new ATOM 0 HA ASP A 38 5.634 11.352 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.758 11.100 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.642 11.602 1.776 1.00 0.00 H new ATOM 601 N ASN A 39 7.316 9.139 0.867 1.00 0.00 N ATOM 602 CA ASN A 39 8.032 8.022 1.399 1.00 0.00 C ATOM 603 C ASN A 39 8.389 8.254 2.826 1.00 0.00 C ATOM 604 O ASN A 39 9.024 9.250 3.170 1.00 0.00 O ATOM 605 CB ASN A 39 9.267 7.632 0.569 1.00 0.00 C ATOM 606 CG ASN A 39 10.391 8.657 0.617 1.00 0.00 C ATOM 607 OD1 ASN A 39 10.274 9.762 0.089 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.519 8.304 1.290 1.00 0.00 N ATOM 0 H ASN A 39 7.818 9.665 0.152 1.00 0.00 H new ATOM 0 HA ASN A 39 7.356 7.169 1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.646 6.675 0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.965 7.487 -0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.294 8.962 1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.589 7.381 1.718 1.00 0.00 H new ATOM 615 N ASP A 40 7.984 7.367 3.752 1.00 0.00 N ATOM 616 CA ASP A 40 8.316 7.530 5.133 1.00 0.00 C ATOM 617 C ASP A 40 9.701 7.046 5.396 1.00 0.00 C ATOM 618 O ASP A 40 10.595 7.801 5.775 1.00 0.00 O ATOM 619 CB ASP A 40 7.288 6.833 6.040 1.00 0.00 C ATOM 620 CG ASP A 40 7.461 7.310 7.475 1.00 0.00 C ATOM 621 OD1 ASP A 40 7.611 8.543 7.688 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.481 6.449 8.395 1.00 0.00 O ATOM 0 H ASP A 40 7.427 6.538 3.545 1.00 0.00 H new ATOM 0 HA ASP A 40 8.282 8.593 5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.277 7.050 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.417 5.752 5.988 1.00 0.00 H new ATOM 627 N LYS A 41 9.937 5.743 5.166 1.00 0.00 N ATOM 628 CA LYS A 41 11.221 5.129 5.308 1.00 0.00 C ATOM 629 C LYS A 41 11.986 5.360 4.051 1.00 0.00 C ATOM 630 O LYS A 41 11.441 5.756 3.021 1.00 0.00 O ATOM 631 CB LYS A 41 11.075 3.619 5.562 1.00 0.00 C ATOM 632 CG LYS A 41 10.255 3.338 6.822 1.00 0.00 C ATOM 633 CD LYS A 41 10.019 1.858 7.129 1.00 0.00 C ATOM 634 CE LYS A 41 8.933 1.244 6.244 1.00 0.00 C ATOM 635 NZ LYS A 41 8.520 -0.081 6.754 1.00 0.00 N ATOM 0 H LYS A 41 9.208 5.093 4.871 1.00 0.00 H new ATOM 0 HA LYS A 41 11.745 5.564 6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.596 3.149 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.063 3.169 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.760 3.793 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.288 3.831 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.950 1.308 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.736 1.748 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.070 1.909 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.303 1.146 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.783 -0.476 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.341 -0.720 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.146 0.020 7.719 1.00 0.00 H new ATOM 649 N GLU A 42 13.305 5.109 4.117 1.00 0.00 N ATOM 650 CA GLU A 42 14.145 4.974 2.967 1.00 0.00 C ATOM 651 C GLU A 42 15.127 3.905 3.301 1.00 0.00 C ATOM 652 O GLU A 42 16.331 3.975 3.059 1.00 0.00 O ATOM 653 CB GLU A 42 14.770 6.324 2.574 1.00 0.00 C ATOM 654 CG GLU A 42 15.428 6.265 1.194 1.00 0.00 C ATOM 655 CD GLU A 42 16.194 7.501 0.742 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.939 8.630 1.239 1.00 0.00 O ATOM 657 OE2 GLU A 42 17.040 7.345 -0.179 1.00 0.00 O ATOM 0 H GLU A 42 13.804 4.996 4.999 1.00 0.00 H new ATOM 0 HA GLU A 42 13.593 4.681 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.000 7.096 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.512 6.611 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.114 5.418 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.652 6.058 0.457 1.00 0.00 H new ATOM 664 N LYS A 43 14.611 2.824 3.913 1.00 0.00 N ATOM 665 CA LYS A 43 15.383 1.655 4.197 1.00 0.00 C ATOM 666 C LYS A 43 14.517 0.443 4.177 1.00 0.00 C ATOM 667 O LYS A 43 14.030 0.015 5.222 1.00 0.00 O ATOM 668 CB LYS A 43 16.181 1.777 5.506 1.00 0.00 C ATOM 669 CG LYS A 43 17.322 0.759 5.571 1.00 0.00 C ATOM 670 CD LYS A 43 18.317 1.016 6.704 1.00 0.00 C ATOM 671 CE LYS A 43 19.444 -0.016 6.797 1.00 0.00 C ATOM 672 NZ LYS A 43 20.272 -0.014 5.571 1.00 0.00 N ATOM 0 H LYS A 43 13.639 2.761 4.216 1.00 0.00 H new ATOM 0 HA LYS A 43 16.127 1.552 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.587 2.785 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.513 1.629 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.900 -0.239 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 43 17.857 0.767 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.755 2.005 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.776 1.033 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.070 0.202 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.020 -1.008 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 21.086 -0.648 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.702 -0.344 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 20.611 0.951 5.383 1.00 0.00 H new ATOM 686 N PRO A 44 14.282 -0.178 3.060 1.00 0.00 N ATOM 687 CA PRO A 44 13.918 -1.564 3.015 1.00 0.00 C ATOM 688 C PRO A 44 15.113 -2.403 3.310 1.00 0.00 C ATOM 689 O PRO A 44 16.189 -1.853 3.538 1.00 0.00 O ATOM 690 CB PRO A 44 13.415 -1.732 1.582 1.00 0.00 C ATOM 691 CG PRO A 44 14.311 -0.788 0.764 1.00 0.00 C ATOM 692 CD PRO A 44 14.480 0.390 1.735 1.00 0.00 C ATOM 0 HA PRO A 44 13.168 -1.867 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.508 -2.764 1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.363 -1.461 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.265 -1.248 0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.841 -0.485 -0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.469 0.838 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.753 1.176 1.531 1.00 0.00 H new ATOM 700 N GLY A 45 15.028 -3.745 3.342 1.00 0.00 N ATOM 701 CA GLY A 45 16.149 -4.524 3.767 1.00 0.00 C ATOM 702 C GLY A 45 17.221 -4.653 2.739 1.00 0.00 C ATOM 703 O GLY A 45 17.186 -4.038 1.675 1.00 0.00 O ATOM 0 H GLY A 45 14.201 -4.282 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.573 -4.073 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.803 -5.520 4.043 1.00 0.00 H new ATOM 707 N ILE A 46 18.243 -5.478 3.028 1.00 0.00 N ATOM 708 CA ILE A 46 19.449 -5.525 2.262 1.00 0.00 C ATOM 709 C ILE A 46 19.354 -6.639 1.278 1.00 0.00 C ATOM 710 O ILE A 46 19.515 -6.447 0.074 1.00 0.00 O ATOM 711 CB ILE A 46 20.694 -5.547 3.098 1.00 0.00 C ATOM 712 CG1 ILE A 46 20.742 -6.633 4.187 1.00 0.00 C ATOM 713 CG2 ILE A 46 20.819 -4.154 3.740 1.00 0.00 C ATOM 714 CD1 ILE A 46 22.069 -6.676 4.945 1.00 0.00 C ATOM 0 H ILE A 46 18.231 -6.128 3.814 1.00 0.00 H new ATOM 0 HA ILE A 46 19.548 -4.591 1.708 1.00 0.00 H new ATOM 0 HB ILE A 46 21.527 -5.795 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.932 -6.461 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.563 -7.605 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 46 21.714 -4.119 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 46 20.890 -3.398 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.942 -3.957 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.033 -7.464 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.881 -6.878 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.241 -5.716 5.433 1.00 0.00 H new ATOM 726 N PHE A 47 18.987 -7.840 1.759 1.00 0.00 N ATOM 727 CA PHE A 47 18.618 -8.971 0.965 1.00 0.00 C ATOM 728 C PHE A 47 17.136 -9.122 0.921 1.00 0.00 C ATOM 729 O PHE A 47 16.633 -10.076 0.329 1.00 0.00 O ATOM 730 CB PHE A 47 19.317 -10.267 1.408 1.00 0.00 C ATOM 731 CG PHE A 47 19.686 -10.295 2.851 1.00 0.00 C ATOM 732 CD1 PHE A 47 18.722 -10.304 3.831 1.00 0.00 C ATOM 733 CD2 PHE A 47 21.010 -10.282 3.220 1.00 0.00 C ATOM 734 CE1 PHE A 47 19.073 -10.232 5.159 1.00 0.00 C ATOM 735 CE2 PHE A 47 21.372 -10.219 4.544 1.00 0.00 C ATOM 736 CZ PHE A 47 20.399 -10.169 5.515 1.00 0.00 C ATOM 0 H PHE A 47 18.946 -8.032 2.760 1.00 0.00 H new ATOM 0 HA PHE A 47 18.969 -8.780 -0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 47 18.662 -11.112 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 47 20.218 -10.404 0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 47 17.680 -10.368 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 47 21.776 -10.322 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 47 18.308 -10.225 5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 47 22.416 -10.209 4.821 1.00 0.00 H new ATOM 0 HZ PHE A 47 20.676 -10.080 6.555 1.00 0.00 H new ATOM 746 N ASN A 48 16.365 -8.188 1.505 1.00 0.00 N ATOM 747 CA ASN A 48 14.935 -8.226 1.498 1.00 0.00 C ATOM 748 C ASN A 48 14.360 -7.813 0.188 1.00 0.00 C ATOM 749 O ASN A 48 13.962 -6.663 0.002 1.00 0.00 O ATOM 750 CB ASN A 48 14.292 -7.416 2.636 1.00 0.00 C ATOM 751 CG ASN A 48 12.949 -8.032 3.004 1.00 0.00 C ATOM 752 OD1 ASN A 48 11.985 -7.978 2.242 1.00 0.00 O ATOM 753 ND2 ASN A 48 12.888 -8.688 4.194 1.00 0.00 N ATOM 0 H ASN A 48 16.748 -7.381 1.998 1.00 0.00 H new ATOM 0 HA ASN A 48 14.689 -9.274 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.949 -7.406 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.156 -6.380 2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.025 -9.153 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.705 -8.715 4.804 1.00 0.00 H new ATOM 760 N MET A 49 14.270 -8.729 -0.794 1.00 0.00 N ATOM 761 CA MET A 49 13.883 -8.430 -2.137 1.00 0.00 C ATOM 762 C MET A 49 12.481 -7.935 -2.236 1.00 0.00 C ATOM 763 O MET A 49 12.180 -6.996 -2.971 1.00 0.00 O ATOM 764 CB MET A 49 14.098 -9.671 -3.021 1.00 0.00 C ATOM 765 CG MET A 49 13.797 -9.484 -4.509 1.00 0.00 C ATOM 766 SD MET A 49 14.714 -8.128 -5.301 1.00 0.00 S ATOM 767 CE MET A 49 14.021 -8.441 -6.951 1.00 0.00 C ATOM 0 H MET A 49 14.475 -9.717 -0.645 1.00 0.00 H new ATOM 0 HA MET A 49 14.515 -7.616 -2.493 1.00 0.00 H new ATOM 0 HB2 MET A 49 15.134 -9.994 -2.916 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.472 -10.478 -2.641 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.024 -10.413 -5.032 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.729 -9.303 -4.630 1.00 0.00 H new ATOM 0 HE1 MET A 49 14.431 -7.722 -7.660 1.00 0.00 H new ATOM 0 HE2 MET A 49 14.279 -9.451 -7.268 1.00 0.00 H new ATOM 0 HE3 MET A 49 12.936 -8.338 -6.916 1.00 0.00 H new ATOM 777 N LYS A 50 11.578 -8.525 -1.433 1.00 0.00 N ATOM 778 CA LYS A 50 10.188 -8.193 -1.367 1.00 0.00 C ATOM 779 C LYS A 50 9.929 -6.818 -0.857 1.00 0.00 C ATOM 780 O LYS A 50 9.213 -6.059 -1.510 1.00 0.00 O ATOM 781 CB LYS A 50 9.408 -9.254 -0.573 1.00 0.00 C ATOM 782 CG LYS A 50 8.957 -10.469 -1.389 1.00 0.00 C ATOM 783 CD LYS A 50 10.074 -11.333 -1.977 1.00 0.00 C ATOM 784 CE LYS A 50 9.569 -12.577 -2.711 1.00 0.00 C ATOM 785 NZ LYS A 50 9.029 -12.254 -4.050 1.00 0.00 N ATOM 0 H LYS A 50 11.833 -9.277 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 50 9.821 -8.195 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.031 -9.600 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.529 -8.784 -0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.334 -11.098 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.327 -10.119 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.663 -10.729 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.743 -11.643 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.385 -13.293 -2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.794 -13.059 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.393 -13.016 -4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.501 -11.359 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.813 -12.159 -4.727 1.00 0.00 H new ATOM 799 N ASP A 51 10.518 -6.391 0.275 1.00 0.00 N ATOM 800 CA ASP A 51 10.430 -5.035 0.721 1.00 0.00 C ATOM 801 C ASP A 51 11.047 -4.089 -0.251 1.00 0.00 C ATOM 802 O ASP A 51 10.473 -3.044 -0.550 1.00 0.00 O ATOM 803 CB ASP A 51 11.046 -4.775 2.106 1.00 0.00 C ATOM 804 CG ASP A 51 10.203 -5.277 3.268 1.00 0.00 C ATOM 805 OD1 ASP A 51 8.946 -5.244 3.186 1.00 0.00 O ATOM 806 OD2 ASP A 51 10.789 -5.631 4.326 1.00 0.00 O ATOM 0 H ASP A 51 11.063 -6.996 0.889 1.00 0.00 H new ATOM 0 HA ASP A 51 9.357 -4.858 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.026 -5.251 2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.206 -3.703 2.224 1.00 0.00 H new ATOM 811 N ARG A 52 12.219 -4.416 -0.823 1.00 0.00 N ATOM 812 CA ARG A 52 12.877 -3.607 -1.801 1.00 0.00 C ATOM 813 C ARG A 52 12.094 -3.284 -3.026 1.00 0.00 C ATOM 814 O ARG A 52 12.063 -2.119 -3.417 1.00 0.00 O ATOM 815 CB ARG A 52 14.250 -4.172 -2.207 1.00 0.00 C ATOM 816 CG ARG A 52 15.293 -4.071 -1.093 1.00 0.00 C ATOM 817 CD ARG A 52 16.641 -4.699 -1.453 1.00 0.00 C ATOM 818 NE ARG A 52 17.396 -3.689 -2.248 1.00 0.00 N ATOM 819 CZ ARG A 52 18.135 -2.689 -1.685 1.00 0.00 C ATOM 820 NH1 ARG A 52 18.273 -2.536 -0.336 1.00 0.00 N ATOM 821 NH2 ARG A 52 18.788 -1.796 -2.485 1.00 0.00 N ATOM 0 H ARG A 52 12.726 -5.272 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 52 13.001 -2.663 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.135 -5.217 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.612 -3.636 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.446 -3.021 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.904 -4.556 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.192 -4.971 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.499 -5.614 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 52 17.358 -3.748 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.812 -3.186 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.837 -1.771 0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.723 -1.877 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.341 -1.047 -2.068 1.00 0.00 H new ATOM 835 N TYR A 53 11.420 -4.245 -3.684 1.00 0.00 N ATOM 836 CA TYR A 53 10.635 -3.954 -4.843 1.00 0.00 C ATOM 837 C TYR A 53 9.378 -3.205 -4.563 1.00 0.00 C ATOM 838 O TYR A 53 8.991 -2.316 -5.319 1.00 0.00 O ATOM 839 CB TYR A 53 10.435 -5.136 -5.807 1.00 0.00 C ATOM 840 CG TYR A 53 9.657 -6.319 -5.345 1.00 0.00 C ATOM 841 CD1 TYR A 53 8.296 -6.267 -5.150 1.00 0.00 C ATOM 842 CD2 TYR A 53 10.282 -7.542 -5.270 1.00 0.00 C ATOM 843 CE1 TYR A 53 7.578 -7.402 -4.859 1.00 0.00 C ATOM 844 CE2 TYR A 53 9.573 -8.687 -4.997 1.00 0.00 C ATOM 845 CZ TYR A 53 8.216 -8.618 -4.785 1.00 0.00 C ATOM 846 OH TYR A 53 7.489 -9.794 -4.499 1.00 0.00 O ATOM 0 H TYR A 53 11.419 -5.228 -3.411 1.00 0.00 H new ATOM 0 HA TYR A 53 11.266 -3.257 -5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.948 -4.751 -6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.422 -5.488 -6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.784 -5.319 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.349 -7.603 -5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.513 -7.339 -4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.080 -9.639 -4.949 1.00 0.00 H new ATOM 0 HH TYR A 53 6.574 -9.703 -4.838 1.00 0.00 H new ATOM 856 N LYS A 54 8.709 -3.480 -3.428 1.00 0.00 N ATOM 857 CA LYS A 54 7.568 -2.737 -2.992 1.00 0.00 C ATOM 858 C LYS A 54 7.902 -1.312 -2.714 1.00 0.00 C ATOM 859 O LYS A 54 7.230 -0.385 -3.162 1.00 0.00 O ATOM 860 CB LYS A 54 7.024 -3.379 -1.704 1.00 0.00 C ATOM 861 CG LYS A 54 6.324 -4.722 -1.920 1.00 0.00 C ATOM 862 CD LYS A 54 6.071 -5.373 -0.558 1.00 0.00 C ATOM 863 CE LYS A 54 5.393 -6.743 -0.617 1.00 0.00 C ATOM 864 NZ LYS A 54 5.138 -7.207 0.766 1.00 0.00 N ATOM 0 H LYS A 54 8.969 -4.239 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 54 6.826 -2.759 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.849 -3.520 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.323 -2.688 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.382 -4.576 -2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.940 -5.373 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.023 -5.477 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.453 -4.703 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.457 -6.678 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.027 -7.456 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.677 -8.139 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.040 -7.281 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.518 -6.527 1.252 1.00 0.00 H new ATOM 878 N TRP A 55 9.017 -1.080 -1.997 1.00 0.00 N ATOM 879 CA TRP A 55 9.527 0.219 -1.688 1.00 0.00 C ATOM 880 C TRP A 55 9.991 0.965 -2.892 1.00 0.00 C ATOM 881 O TRP A 55 9.840 2.182 -2.980 1.00 0.00 O ATOM 882 CB TRP A 55 10.578 0.087 -0.572 1.00 0.00 C ATOM 883 CG TRP A 55 10.801 1.359 0.211 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.146 1.849 1.305 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.625 2.430 -0.286 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.379 3.194 1.425 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.284 3.566 0.459 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.524 2.490 -1.315 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.826 4.778 0.132 1.00 0.00 C ATOM 890 CZ3 TRP A 55 13.084 3.712 -1.603 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.738 4.838 -0.894 1.00 0.00 C ATOM 0 H TRP A 55 9.589 -1.834 -1.616 1.00 0.00 H new ATOM 0 HA TRP A 55 8.719 0.845 -1.309 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.268 -0.701 0.114 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.524 -0.228 -1.012 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.535 1.263 1.976 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.953 3.814 2.114 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.785 1.608 -1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.543 5.671 0.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.808 3.789 -2.400 1.00 0.00 H new ATOM 0 HH2 TRP A 55 13.190 5.785 -1.148 1.00 0.00 H new ATOM 902 N GLU A 56 10.497 0.279 -3.933 1.00 0.00 N ATOM 903 CA GLU A 56 10.909 0.844 -5.181 1.00 0.00 C ATOM 904 C GLU A 56 9.752 1.349 -5.972 1.00 0.00 C ATOM 905 O GLU A 56 9.821 2.387 -6.630 1.00 0.00 O ATOM 906 CB GLU A 56 11.742 -0.169 -5.984 1.00 0.00 C ATOM 907 CG GLU A 56 12.356 0.358 -7.282 1.00 0.00 C ATOM 908 CD GLU A 56 13.484 -0.498 -7.841 1.00 0.00 C ATOM 909 OE1 GLU A 56 13.231 -1.560 -8.469 1.00 0.00 O ATOM 910 OE2 GLU A 56 14.667 -0.087 -7.696 1.00 0.00 O ATOM 0 H GLU A 56 10.626 -0.732 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 56 11.540 1.706 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.546 -0.537 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.109 -1.023 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.571 0.438 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.734 1.365 -7.107 1.00 0.00 H new ATOM 917 N ALA A 57 8.590 0.678 -5.887 1.00 0.00 N ATOM 918 CA ALA A 57 7.373 1.148 -6.473 1.00 0.00 C ATOM 919 C ALA A 57 6.770 2.311 -5.761 1.00 0.00 C ATOM 920 O ALA A 57 6.026 3.103 -6.339 1.00 0.00 O ATOM 921 CB ALA A 57 6.354 -0.001 -6.538 1.00 0.00 C ATOM 0 H ALA A 57 8.494 -0.213 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 57 7.629 1.498 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.427 0.359 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.758 -0.812 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.153 -0.366 -5.531 1.00 0.00 H new ATOM 927 N TRP A 58 7.094 2.474 -4.466 1.00 0.00 N ATOM 928 CA TRP A 58 6.624 3.533 -3.627 1.00 0.00 C ATOM 929 C TRP A 58 7.433 4.771 -3.812 1.00 0.00 C ATOM 930 O TRP A 58 6.887 5.868 -3.930 1.00 0.00 O ATOM 931 CB TRP A 58 6.621 3.103 -2.151 1.00 0.00 C ATOM 932 CG TRP A 58 6.019 4.089 -1.180 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.071 5.045 -1.406 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.316 4.139 0.229 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.814 5.745 -0.256 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.564 5.195 0.757 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.104 3.354 1.025 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.600 5.458 2.098 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.105 3.614 2.376 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.363 4.645 2.902 1.00 0.00 C ATOM 0 H TRP A 58 7.718 1.832 -3.978 1.00 0.00 H new ATOM 0 HA TRP A 58 5.599 3.756 -3.921 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.077 2.162 -2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.649 2.905 -1.848 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.591 5.224 -2.357 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.177 6.537 -0.167 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.704 2.559 0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.043 6.284 2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.699 2.998 3.035 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.380 4.820 3.968 1.00 0.00 H new ATOM 951 N GLU A 59 8.771 4.661 -3.876 1.00 0.00 N ATOM 952 CA GLU A 59 9.672 5.761 -4.030 1.00 0.00 C ATOM 953 C GLU A 59 9.544 6.461 -5.339 1.00 0.00 C ATOM 954 O GLU A 59 9.845 7.646 -5.471 1.00 0.00 O ATOM 955 CB GLU A 59 11.128 5.351 -3.756 1.00 0.00 C ATOM 956 CG GLU A 59 11.919 4.683 -4.883 1.00 0.00 C ATOM 957 CD GLU A 59 12.778 5.648 -5.687 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.746 6.207 -5.104 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.530 5.833 -6.908 1.00 0.00 O ATOM 0 H GLU A 59 9.248 3.761 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 59 9.376 6.486 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.673 6.245 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.127 4.672 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.559 3.911 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.222 4.184 -5.557 1.00 0.00 H new ATOM 966 N ASN A 60 8.982 5.782 -6.356 1.00 0.00 N ATOM 967 CA ASN A 60 8.542 6.375 -7.581 1.00 0.00 C ATOM 968 C ASN A 60 7.556 7.475 -7.387 1.00 0.00 C ATOM 969 O ASN A 60 7.518 8.432 -8.158 1.00 0.00 O ATOM 970 CB ASN A 60 7.968 5.248 -8.456 1.00 0.00 C ATOM 971 CG ASN A 60 7.633 5.709 -9.868 1.00 0.00 C ATOM 972 OD1 ASN A 60 8.332 6.519 -10.474 1.00 0.00 O ATOM 973 ND2 ASN A 60 6.504 5.187 -10.418 1.00 0.00 N ATOM 0 H ASN A 60 8.828 4.774 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 60 9.392 6.853 -8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.688 4.431 -8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.068 4.851 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.218 5.466 -11.357 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.943 4.517 -9.892 1.00 0.00 H new ATOM 980 N LEU A 61 6.731 7.393 -6.328 1.00 0.00 N ATOM 981 CA LEU A 61 5.665 8.307 -6.060 1.00 0.00 C ATOM 982 C LEU A 61 5.948 9.255 -4.946 1.00 0.00 C ATOM 983 O LEU A 61 5.092 10.085 -4.645 1.00 0.00 O ATOM 984 CB LEU A 61 4.391 7.525 -5.700 1.00 0.00 C ATOM 985 CG LEU A 61 3.952 6.525 -6.782 1.00 0.00 C ATOM 986 CD1 LEU A 61 2.669 5.842 -6.280 1.00 0.00 C ATOM 987 CD2 LEU A 61 3.716 7.215 -8.137 1.00 0.00 C ATOM 0 H LEU A 61 6.811 6.656 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 61 5.542 8.893 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.557 6.987 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.580 8.231 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 61 4.740 5.791 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.325 5.123 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.875 5.325 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.896 6.593 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.407 6.474 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.935 7.968 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.638 7.693 -8.467 1.00 0.00 H new ATOM 999 N LYS A 62 7.138 9.154 -4.326 1.00 0.00 N ATOM 1000 CA LYS A 62 7.606 9.647 -3.067 1.00 0.00 C ATOM 1001 C LYS A 62 7.142 10.897 -2.402 1.00 0.00 C ATOM 1002 O LYS A 62 7.400 11.065 -1.211 1.00 0.00 O ATOM 1003 CB LYS A 62 9.142 9.728 -3.111 1.00 0.00 C ATOM 1004 CG LYS A 62 9.698 10.708 -4.146 1.00 0.00 C ATOM 1005 CD LYS A 62 11.202 10.501 -4.336 1.00 0.00 C ATOM 1006 CE LYS A 62 12.072 10.765 -3.105 1.00 0.00 C ATOM 1007 NZ LYS A 62 12.007 12.180 -2.680 1.00 0.00 N ATOM 0 H LYS A 62 7.888 8.642 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 62 7.117 8.903 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.506 10.016 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.539 8.735 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.184 10.570 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.505 11.732 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.370 9.475 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.540 11.152 -5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.747 10.124 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.106 10.499 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.609 12.319 -1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.341 12.790 -3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.025 12.427 -2.444 1.00 0.00 H new ATOM 1021 N GLY A 63 6.466 11.850 -3.067 1.00 0.00 N ATOM 1022 CA GLY A 63 5.854 12.920 -2.343 1.00 0.00 C ATOM 1023 C GLY A 63 4.784 13.638 -3.090 1.00 0.00 C ATOM 1024 O GLY A 63 4.398 14.730 -2.677 1.00 0.00 O ATOM 0 H GLY A 63 6.344 11.882 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.431 12.523 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.624 13.637 -2.058 1.00 0.00 H new ATOM 1028 N LYS A 64 4.250 13.075 -4.189 1.00 0.00 N ATOM 1029 CA LYS A 64 3.197 13.733 -4.898 1.00 0.00 C ATOM 1030 C LYS A 64 1.948 12.921 -4.867 1.00 0.00 C ATOM 1031 O LYS A 64 0.888 13.421 -4.492 1.00 0.00 O ATOM 1032 CB LYS A 64 3.550 14.251 -6.302 1.00 0.00 C ATOM 1033 CG LYS A 64 3.459 13.334 -7.524 1.00 0.00 C ATOM 1034 CD LYS A 64 4.688 12.439 -7.696 1.00 0.00 C ATOM 1035 CE LYS A 64 4.644 11.465 -8.874 1.00 0.00 C ATOM 1036 NZ LYS A 64 4.313 12.168 -10.134 1.00 0.00 N ATOM 0 H LYS A 64 4.541 12.180 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 64 3.020 14.658 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.907 15.109 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.573 14.624 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.571 12.708 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.332 13.943 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.565 13.076 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.827 11.865 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.608 10.967 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.903 10.689 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.389 11.505 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.342 12.536 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.975 12.957 -10.275 1.00 0.00 H new ATOM 1050 N SER A 65 2.019 11.635 -5.251 1.00 0.00 N ATOM 1051 CA SER A 65 0.882 10.862 -5.643 1.00 0.00 C ATOM 1052 C SER A 65 0.156 10.214 -4.515 1.00 0.00 C ATOM 1053 O SER A 65 -0.336 9.094 -4.644 1.00 0.00 O ATOM 1054 CB SER A 65 1.254 9.799 -6.692 1.00 0.00 C ATOM 1055 OG SER A 65 1.535 10.393 -7.951 1.00 0.00 O ATOM 0 H SER A 65 2.896 11.116 -5.290 1.00 0.00 H new ATOM 0 HA SER A 65 0.198 11.590 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.123 9.237 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.435 9.087 -6.798 1.00 0.00 H new ATOM 0 HG SER A 65 0.728 10.830 -8.294 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.063 10.943 -3.406 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.113 10.730 -2.459 1.00 0.00 C ATOM 1063 C GLN A 66 -2.387 11.177 -3.089 1.00 0.00 C ATOM 1064 O GLN A 66 -3.432 10.558 -2.895 1.00 0.00 O ATOM 1065 CB GLN A 66 -0.790 11.560 -1.205 1.00 0.00 C ATOM 1066 CG GLN A 66 -2.002 12.024 -0.393 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.629 12.609 0.960 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.561 13.818 1.177 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.361 11.695 1.931 1.00 0.00 N ATOM 0 H GLN A 66 0.533 11.732 -3.155 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.208 9.682 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.144 10.969 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.220 12.438 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.550 12.772 -0.966 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.675 11.180 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.425 10.698 1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.096 12.006 2.866 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.286 12.223 -3.929 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.308 12.857 -4.702 1.00 0.00 C ATOM 1080 C GLU A 67 -3.899 11.903 -5.682 1.00 0.00 C ATOM 1081 O GLU A 67 -5.106 11.879 -5.918 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.753 14.110 -5.399 1.00 0.00 C ATOM 1083 CG GLU A 67 -1.720 13.928 -6.514 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.443 15.226 -7.257 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -0.908 16.191 -6.649 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.795 15.308 -8.465 1.00 0.00 O ATOM 0 H GLU A 67 -1.383 12.673 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.107 13.173 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.597 14.659 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.306 14.745 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.791 13.550 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.077 13.177 -7.219 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.037 11.040 -6.247 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.403 9.966 -7.117 1.00 0.00 C ATOM 1095 C ASP A 68 -3.742 8.737 -6.346 1.00 0.00 C ATOM 1096 O ASP A 68 -4.777 8.141 -6.639 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.271 9.628 -8.103 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.918 10.853 -8.936 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.805 11.375 -9.662 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -0.740 11.293 -8.865 1.00 0.00 O ATOM 0 H ASP A 68 -2.031 11.095 -6.088 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.278 10.302 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.393 9.285 -7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.579 8.811 -8.756 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.942 8.340 -5.339 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.226 7.218 -4.501 1.00 0.00 C ATOM 1107 C ALA A 69 -4.641 7.101 -4.045 1.00 0.00 C ATOM 1108 O ALA A 69 -5.345 6.173 -4.440 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.326 7.169 -3.255 1.00 0.00 C ATOM 0 H ALA A 69 -2.071 8.815 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.020 6.376 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.584 6.297 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.282 7.102 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.473 8.073 -2.665 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.182 8.077 -3.295 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.552 8.092 -2.883 1.00 0.00 C ATOM 1117 C GLU A 70 -7.625 7.871 -3.893 1.00 0.00 C ATOM 1118 O GLU A 70 -8.616 7.209 -3.590 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.795 9.369 -2.061 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.699 10.663 -2.871 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.022 11.917 -2.070 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -7.887 11.869 -1.155 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -6.391 12.977 -2.324 1.00 0.00 O ATOM 0 H GLU A 70 -4.650 8.882 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.660 7.179 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.783 9.312 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.070 9.408 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.691 10.752 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.380 10.600 -3.720 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.517 8.370 -5.137 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.481 8.203 -6.180 1.00 0.00 C ATOM 1132 C LYS A 71 -8.300 6.982 -7.015 1.00 0.00 C ATOM 1133 O LYS A 71 -9.266 6.444 -7.554 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.371 9.371 -7.174 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.838 10.729 -6.647 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.382 11.778 -7.662 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.012 13.162 -7.503 1.00 0.00 C ATOM 1138 NZ LYS A 71 -8.755 13.964 -8.721 1.00 0.00 N ATOM 0 H LYS A 71 -6.711 8.921 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.434 8.140 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.331 9.461 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.953 9.126 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.922 10.747 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.411 10.930 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.299 11.880 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.603 11.410 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.085 13.068 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.597 13.664 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.183 14.906 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.729 14.064 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.172 13.486 -9.546 1.00 0.00 H new ATOM 1152 N GLU A 72 -7.050 6.523 -7.208 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.789 5.353 -7.984 1.00 0.00 C ATOM 1154 C GLU A 72 -6.957 4.129 -7.151 1.00 0.00 C ATOM 1155 O GLU A 72 -7.287 3.069 -7.681 1.00 0.00 O ATOM 1156 CB GLU A 72 -5.391 5.426 -8.623 1.00 0.00 C ATOM 1157 CG GLU A 72 -5.220 6.520 -9.679 1.00 0.00 C ATOM 1158 CD GLU A 72 -5.854 6.245 -11.036 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -6.773 5.397 -11.177 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -5.404 6.885 -12.024 1.00 0.00 O ATOM 0 H GLU A 72 -6.216 6.967 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.514 5.299 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.655 5.585 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.166 4.462 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.640 7.446 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.154 6.691 -9.827 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.786 4.225 -5.820 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.831 3.112 -4.922 1.00 0.00 C ATOM 1169 C TYR A 73 -8.175 2.477 -4.824 1.00 0.00 C ATOM 1170 O TYR A 73 -8.285 1.255 -4.909 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.404 3.526 -3.505 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.067 2.367 -2.633 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.925 1.647 -2.894 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.840 2.052 -1.540 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.505 0.656 -2.039 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.434 1.040 -0.701 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.271 0.348 -0.938 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.870 -0.701 -0.085 1.00 0.00 O ATOM 0 H TYR A 73 -6.609 5.113 -5.351 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.137 2.385 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.539 4.186 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.208 4.099 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.350 1.863 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.754 2.592 -1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.584 0.125 -2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.039 0.786 0.157 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.288 -0.346 0.619 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.246 3.276 -4.671 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.604 2.834 -4.747 1.00 0.00 C ATOM 1190 C ILE A 74 -10.894 1.880 -5.854 1.00 0.00 C ATOM 1191 O ILE A 74 -11.386 0.774 -5.635 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.539 4.005 -4.718 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -13.036 3.675 -4.843 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.140 5.141 -5.675 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.626 3.469 -6.237 1.00 0.00 C ATOM 0 H ILE A 74 -9.161 4.275 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.779 2.234 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.412 4.368 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.224 2.769 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.593 4.480 -4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.864 5.953 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.150 5.511 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.123 4.766 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.689 3.244 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.492 4.376 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.118 2.639 -6.728 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.529 2.241 -7.098 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.812 1.442 -8.249 1.00 0.00 C ATOM 1209 C ALA A 75 -10.014 0.189 -8.365 1.00 0.00 C ATOM 1210 O ALA A 75 -10.471 -0.790 -8.953 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.633 2.301 -9.513 1.00 0.00 C ATOM 0 H ALA A 75 -10.028 3.104 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.843 1.107 -8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.847 1.698 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.318 3.148 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.607 2.666 -9.563 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.811 0.133 -7.767 1.00 0.00 N ATOM 1218 CA LEU A 76 -8.051 -1.074 -7.656 1.00 0.00 C ATOM 1219 C LEU A 76 -8.680 -2.013 -6.686 1.00 0.00 C ATOM 1220 O LEU A 76 -8.929 -3.180 -6.980 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.632 -0.822 -7.119 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.740 0.074 -7.995 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.519 0.483 -7.152 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -5.309 -0.615 -9.301 1.00 0.00 C ATOM 0 H LEU A 76 -8.355 0.945 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.017 -1.486 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.712 -0.369 -6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.135 -1.784 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.307 0.952 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.864 1.121 -7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.853 1.027 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.974 -0.409 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.682 0.063 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.747 -1.519 -9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.193 -0.877 -9.883 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.974 -1.525 -5.467 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.384 -2.316 -4.348 1.00 0.00 C ATOM 1238 C VAL A 77 -10.760 -2.858 -4.534 1.00 0.00 C ATOM 1239 O VAL A 77 -11.060 -3.957 -4.070 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.196 -1.578 -3.056 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.822 -2.382 -1.904 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.677 -1.508 -2.823 1.00 0.00 C ATOM 0 H VAL A 77 -8.923 -0.529 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.731 -3.187 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.659 -0.592 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.684 -1.843 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.887 -2.517 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.339 -3.357 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.476 -0.979 -1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.271 -2.518 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.206 -0.978 -3.651 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.625 -2.189 -5.317 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.858 -2.770 -5.747 1.00 0.00 C ATOM 1254 C ASP A 78 -12.685 -4.075 -6.445 1.00 0.00 C ATOM 1255 O ASP A 78 -13.400 -5.043 -6.193 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.574 -1.793 -6.695 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.481 -0.788 -5.999 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -14.840 -0.968 -4.805 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -14.947 0.158 -6.690 1.00 0.00 O ATOM 0 H ASP A 78 -11.468 -1.239 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.446 -2.960 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.824 -1.249 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.167 -2.367 -7.407 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.670 -4.166 -7.322 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.334 -5.342 -8.062 1.00 0.00 C ATOM 1266 C GLN A 79 -10.576 -6.359 -7.279 1.00 0.00 C ATOM 1267 O GLN A 79 -10.664 -7.553 -7.565 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.551 -4.995 -9.340 1.00 0.00 C ATOM 1269 CG GLN A 79 -11.329 -4.069 -10.277 1.00 0.00 C ATOM 1270 CD GLN A 79 -10.629 -3.948 -11.622 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -10.480 -4.928 -12.350 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -10.193 -2.717 -12.002 1.00 0.00 N ATOM 0 H GLN A 79 -11.053 -3.380 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.293 -5.790 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.609 -4.520 -9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.302 -5.915 -9.869 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.338 -4.455 -10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.426 -3.083 -9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.326 -1.916 -11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.733 -2.595 -12.904 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.832 -5.953 -6.235 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.201 -6.814 -5.283 1.00 0.00 C ATOM 1283 C LEU A 80 -10.243 -7.506 -4.474 1.00 0.00 C ATOM 1284 O LEU A 80 -10.299 -8.735 -4.445 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.253 -6.079 -4.320 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.801 -5.965 -4.816 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.579 -4.897 -5.900 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.863 -5.732 -3.621 1.00 0.00 C ATOM 0 H LEU A 80 -9.661 -4.966 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.601 -7.518 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.642 -5.077 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.256 -6.597 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.569 -6.913 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.528 -4.886 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.193 -5.128 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.858 -3.918 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.835 -5.652 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.144 -4.810 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.943 -6.569 -2.927 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.142 -6.759 -3.808 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.076 -7.303 -2.872 1.00 0.00 C ATOM 1302 C ILE A 81 -13.081 -8.192 -3.521 1.00 0.00 C ATOM 1303 O ILE A 81 -13.489 -9.200 -2.947 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.727 -6.198 -2.092 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.702 -5.565 -1.136 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -13.992 -6.642 -1.338 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.222 -4.375 -0.330 1.00 0.00 C ATOM 0 H ILE A 81 -11.221 -5.749 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.523 -7.936 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.065 -5.453 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.353 -6.330 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.837 -5.242 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.410 -5.793 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.728 -7.016 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.736 -7.432 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.428 -3.997 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.543 -3.587 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.067 -4.691 0.282 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.437 -7.911 -4.787 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.204 -8.774 -5.631 1.00 0.00 C ATOM 1321 C ALA A 82 -13.686 -10.167 -5.732 1.00 0.00 C ATOM 1322 O ALA A 82 -14.455 -11.125 -5.802 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.282 -8.165 -7.040 1.00 0.00 C ATOM 0 H ALA A 82 -13.177 -7.038 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.187 -8.850 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.866 -8.819 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.759 -7.186 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.276 -8.057 -7.446 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.355 -10.361 -5.696 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.749 -11.653 -5.598 1.00 0.00 C ATOM 1331 C LYS A 83 -11.631 -12.040 -4.164 1.00 0.00 C ATOM 1332 O LYS A 83 -11.959 -13.155 -3.761 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.357 -11.638 -6.250 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.411 -11.223 -7.721 1.00 0.00 C ATOM 1335 CD LYS A 83 -9.070 -11.276 -8.459 1.00 0.00 C ATOM 1336 CE LYS A 83 -8.003 -10.314 -7.930 1.00 0.00 C ATOM 1337 NZ LYS A 83 -6.928 -10.147 -8.933 1.00 0.00 N ATOM 0 H LYS A 83 -11.681 -9.597 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.372 -12.379 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.710 -10.951 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.910 -12.629 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.119 -11.869 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.802 -10.207 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.681 -12.293 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.243 -11.059 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.453 -9.348 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.586 -10.697 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.006 -10.122 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.949 -10.944 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.072 -9.257 -9.452 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.121 -11.113 -3.334 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.404 -11.425 -2.136 1.00 0.00 C ATOM 1353 C TYR A 84 -11.220 -11.470 -0.892 1.00 0.00 C ATOM 1354 O TYR A 84 -10.732 -11.967 0.123 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.231 -10.446 -1.951 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.172 -10.507 -2.997 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -7.886 -11.631 -3.736 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.384 -9.397 -3.188 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.823 -11.668 -4.607 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.335 -9.405 -4.078 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.046 -10.548 -4.784 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.951 -10.589 -5.673 1.00 0.00 O ATOM 0 H TYR A 84 -11.211 -10.111 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.048 -12.445 -2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.629 -9.432 -1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.771 -10.637 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.511 -12.505 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.593 -8.498 -2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.599 -12.574 -5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.740 -8.515 -4.221 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.201 -10.163 -6.519 1.00 0.00 H new ATOM 1372 N SER A 85 -12.479 -10.996 -0.903 1.00 0.00 N ATOM 1373 CA SER A 85 -13.385 -11.118 0.196 1.00 0.00 C ATOM 1374 C SER A 85 -13.491 -12.481 0.792 1.00 0.00 C ATOM 1375 O SER A 85 -13.270 -12.658 1.989 1.00 0.00 O ATOM 1376 CB SER A 85 -14.793 -10.601 -0.145 1.00 0.00 C ATOM 1377 OG SER A 85 -15.561 -10.352 1.022 1.00 0.00 O ATOM 0 H SER A 85 -12.880 -10.511 -1.706 1.00 0.00 H new ATOM 0 HA SER A 85 -12.931 -10.484 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.712 -9.684 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.307 -11.332 -0.769 1.00 0.00 H new ATOM 0 HG SER A 85 -16.448 -10.024 0.766 1.00 0.00 H new ATOM 1383 N SER A 86 -13.791 -13.501 -0.032 1.00 0.00 N ATOM 1384 CA SER A 86 -13.764 -14.873 0.367 1.00 0.00 C ATOM 1385 C SER A 86 -13.673 -15.786 -0.849 1.00 0.00 C ATOM 1386 O SER A 86 -12.724 -16.610 -0.933 1.00 0.00 O ATOM 1387 CB SER A 86 -14.996 -15.286 1.188 1.00 0.00 C ATOM 1388 OG SER A 86 -14.884 -16.603 1.707 1.00 0.00 O ATOM 1389 OXT SER A 86 -14.567 -15.734 -1.735 1.00 0.00 O ATOM 0 H SER A 86 -14.061 -13.366 -1.006 1.00 0.00 H new ATOM 0 HA SER A 86 -12.881 -14.980 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.133 -14.584 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.886 -15.220 0.562 1.00 0.00 H new ATOM 0 HG SER A 86 -15.688 -16.821 2.223 1.00 0.00 H new TER 1395 SER A 86