USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 855 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -25:sc= 0.857 USER MOD Single : A 20 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.8) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.315 USER MOD Single : A 30 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.29) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 120:sc= -0.195 USER MOD Single : A 46 ASN : amide:sc= -2.9! C(o=-2.9!,f=-2.6!) USER MOD Single : A 52 SER OG : rot 66:sc= 0.235 USER MOD Single : A 58 TYR OH : rot 123:sc= -0.217 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.165 USER MOD Single : A 65 SER OG : rot 90:sc= 0.21 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0439) USER MOD Single : A 73 TYR OH : rot 150:sc= -0.828 USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= -0.106 (180deg=-0.48) USER MOD Single : A 75 SER OG : rot -13:sc= 0.583! USER MOD Single : A 77 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0741 USER MOD Single : A 83 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.0031) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.95! C(o=-1.9!,f=-1.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 168:sc= -3.13! (180deg=-3.44!) USER MOD Single : A 95 TYR OH : rot 0:sc= -1.02 USER MOD Single : A 96 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-0.99) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0.747 K(o=0.75,f=-1.4!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-1.1) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 70:sc= -1.42 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 118 THR OG1 : rot -166:sc= -0.413 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 8.988 -24.784 -6.418 1.00 0.00 N ATOM 67 CA ASP A 8 9.165 -23.925 -5.253 1.00 0.00 C ATOM 68 C ASP A 8 10.052 -22.730 -5.589 1.00 0.00 C ATOM 69 O ASP A 8 9.730 -21.592 -5.250 1.00 0.00 O ATOM 70 CB ASP A 8 9.774 -24.718 -4.096 1.00 0.00 C ATOM 71 CG ASP A 8 10.708 -25.813 -4.572 1.00 0.00 C ATOM 72 OD1 ASP A 8 11.864 -25.496 -4.922 1.00 0.00 O ATOM 73 OD2 ASP A 8 10.283 -26.987 -4.596 1.00 0.00 O ATOM 0 HA ASP A 8 8.185 -23.554 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.320 -24.038 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.974 -25.160 -3.502 1.00 0.00 H new ATOM 78 N GLU A 9 11.170 -22.998 -6.256 1.00 0.00 N ATOM 79 CA GLU A 9 12.104 -21.945 -6.636 1.00 0.00 C ATOM 80 C GLU A 9 11.357 -20.698 -7.102 1.00 0.00 C ATOM 81 O GLU A 9 11.776 -19.574 -6.829 1.00 0.00 O ATOM 82 CB GLU A 9 13.039 -22.436 -7.743 1.00 0.00 C ATOM 83 CG GLU A 9 13.879 -23.637 -7.341 1.00 0.00 C ATOM 84 CD GLU A 9 14.429 -24.390 -8.537 1.00 0.00 C ATOM 85 OE1 GLU A 9 13.659 -24.638 -9.488 1.00 0.00 O ATOM 86 OE2 GLU A 9 15.630 -24.731 -8.521 1.00 0.00 O ATOM 0 H GLU A 9 11.451 -23.935 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 9 12.697 -21.687 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.446 -22.695 -8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.701 -21.621 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.706 -23.304 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.274 -24.313 -6.737 1.00 0.00 H new ATOM 93 N GLU A 10 10.250 -20.908 -7.807 1.00 0.00 N ATOM 94 CA GLU A 10 9.446 -19.801 -8.312 1.00 0.00 C ATOM 95 C GLU A 10 8.780 -19.045 -7.166 1.00 0.00 C ATOM 96 O GLU A 10 8.761 -17.814 -7.146 1.00 0.00 O ATOM 97 CB GLU A 10 8.382 -20.316 -9.284 1.00 0.00 C ATOM 98 CG GLU A 10 8.910 -20.566 -10.687 1.00 0.00 C ATOM 99 CD GLU A 10 7.843 -21.094 -11.626 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.069 -21.980 -11.208 1.00 0.00 O ATOM 101 OE2 GLU A 10 7.782 -20.619 -12.780 1.00 0.00 O ATOM 0 H GLU A 10 9.890 -21.833 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 10 10.109 -19.116 -8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.962 -21.242 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.568 -19.593 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.316 -19.638 -11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.733 -21.279 -10.640 1.00 0.00 H new ATOM 108 N THR A 11 8.232 -19.791 -6.212 1.00 0.00 N ATOM 109 CA THR A 11 7.563 -19.193 -5.063 1.00 0.00 C ATOM 110 C THR A 11 8.513 -18.294 -4.281 1.00 0.00 C ATOM 111 O THR A 11 8.144 -17.195 -3.865 1.00 0.00 O ATOM 112 CB THR A 11 6.999 -20.271 -4.118 1.00 0.00 C ATOM 113 OG1 THR A 11 5.956 -21.000 -4.774 1.00 0.00 O ATOM 114 CG2 THR A 11 6.461 -19.642 -2.841 1.00 0.00 C ATOM 0 H THR A 11 8.238 -20.811 -6.212 1.00 0.00 H new ATOM 0 HA THR A 11 6.739 -18.595 -5.452 1.00 0.00 H new ATOM 0 HB THR A 11 7.808 -20.953 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.604 -21.684 -4.167 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.068 -20.422 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.265 -19.112 -2.330 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.664 -18.940 -3.089 1.00 0.00 H new ATOM 122 N LYS A 12 9.740 -18.766 -4.083 1.00 0.00 N ATOM 123 CA LYS A 12 10.745 -18.004 -3.352 1.00 0.00 C ATOM 124 C LYS A 12 10.966 -16.638 -3.995 1.00 0.00 C ATOM 125 O LYS A 12 10.834 -15.605 -3.340 1.00 0.00 O ATOM 126 CB LYS A 12 12.065 -18.776 -3.303 1.00 0.00 C ATOM 127 CG LYS A 12 12.028 -19.986 -2.385 1.00 0.00 C ATOM 128 CD LYS A 12 13.424 -20.394 -1.945 1.00 0.00 C ATOM 129 CE LYS A 12 13.441 -21.812 -1.393 1.00 0.00 C ATOM 130 NZ LYS A 12 14.782 -22.184 -0.862 1.00 0.00 N ATOM 0 H LYS A 12 10.062 -19.674 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 12 10.382 -17.853 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.323 -19.102 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.857 -18.104 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.420 -19.761 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.549 -20.819 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.109 -20.323 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.784 -19.702 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.699 -21.902 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.155 -22.511 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.753 -23.157 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.487 -22.123 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.045 -21.533 -0.095 1.00 0.00 H new ATOM 144 N ALA A 13 11.303 -16.642 -5.281 1.00 0.00 N ATOM 145 CA ALA A 13 11.539 -15.404 -6.012 1.00 0.00 C ATOM 146 C ALA A 13 10.419 -14.399 -5.766 1.00 0.00 C ATOM 147 O ALA A 13 10.658 -13.193 -5.695 1.00 0.00 O ATOM 148 CB ALA A 13 11.678 -15.688 -7.500 1.00 0.00 C ATOM 0 H ALA A 13 11.419 -17.489 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 13 12.469 -14.968 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.854 -14.754 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.517 -16.364 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.762 -16.150 -7.869 1.00 0.00 H new ATOM 154 N PHE A 14 9.196 -14.902 -5.638 1.00 0.00 N ATOM 155 CA PHE A 14 8.038 -14.048 -5.402 1.00 0.00 C ATOM 156 C PHE A 14 8.009 -13.558 -3.957 1.00 0.00 C ATOM 157 O PHE A 14 7.564 -12.445 -3.677 1.00 0.00 O ATOM 158 CB PHE A 14 6.746 -14.803 -5.722 1.00 0.00 C ATOM 159 CG PHE A 14 6.296 -14.645 -7.146 1.00 0.00 C ATOM 160 CD1 PHE A 14 5.623 -13.504 -7.551 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.547 -15.637 -8.080 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.207 -13.356 -8.860 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.134 -15.494 -9.392 1.00 0.00 C ATOM 164 CZ PHE A 14 5.464 -14.352 -9.782 1.00 0.00 C ATOM 0 H PHE A 14 8.981 -15.898 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 14 8.117 -13.182 -6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.892 -15.862 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.956 -14.452 -5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.421 -12.721 -6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.071 -16.532 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.681 -12.462 -9.162 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.335 -16.275 -10.110 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.141 -14.237 -10.806 1.00 0.00 H new ATOM 174 N GLU A 15 8.487 -14.398 -3.044 1.00 0.00 N ATOM 175 CA GLU A 15 8.515 -14.050 -1.628 1.00 0.00 C ATOM 176 C GLU A 15 9.480 -12.897 -1.370 1.00 0.00 C ATOM 177 O GLU A 15 9.265 -12.084 -0.471 1.00 0.00 O ATOM 178 CB GLU A 15 8.919 -15.265 -0.790 1.00 0.00 C ATOM 179 CG GLU A 15 7.857 -16.351 -0.740 1.00 0.00 C ATOM 180 CD GLU A 15 7.933 -17.183 0.525 1.00 0.00 C ATOM 181 OE1 GLU A 15 8.680 -18.184 0.533 1.00 0.00 O ATOM 182 OE2 GLU A 15 7.245 -16.834 1.507 1.00 0.00 O ATOM 0 H GLU A 15 8.860 -15.323 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 15 7.513 -13.734 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.839 -15.686 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.140 -14.938 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.870 -15.893 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.968 -17.003 -1.606 1.00 0.00 H new ATOM 189 N ALA A 16 10.543 -12.833 -2.164 1.00 0.00 N ATOM 190 CA ALA A 16 11.540 -11.779 -2.023 1.00 0.00 C ATOM 191 C ALA A 16 11.228 -10.601 -2.939 1.00 0.00 C ATOM 192 O ALA A 16 11.531 -9.452 -2.616 1.00 0.00 O ATOM 193 CB ALA A 16 12.930 -12.325 -2.317 1.00 0.00 C ATOM 0 H ALA A 16 10.736 -13.499 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 16 11.512 -11.422 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.665 -11.527 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.161 -13.129 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.961 -12.710 -3.336 1.00 0.00 H new ATOM 199 N LEU A 17 10.621 -10.894 -4.084 1.00 0.00 N ATOM 200 CA LEU A 17 10.267 -9.858 -5.049 1.00 0.00 C ATOM 201 C LEU A 17 9.033 -9.087 -4.592 1.00 0.00 C ATOM 202 O LEU A 17 9.050 -7.858 -4.511 1.00 0.00 O ATOM 203 CB LEU A 17 10.015 -10.479 -6.424 1.00 0.00 C ATOM 204 CG LEU A 17 9.188 -9.639 -7.398 1.00 0.00 C ATOM 205 CD1 LEU A 17 10.056 -8.577 -8.056 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.539 -10.526 -8.450 1.00 0.00 C ATOM 0 H LEU A 17 10.364 -11.840 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 17 11.102 -9.161 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.979 -10.692 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.512 -11.435 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 17 8.399 -9.139 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.451 -7.989 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.473 -7.923 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.867 -9.058 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.955 -9.911 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.312 -11.055 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.885 -11.249 -7.963 1.00 0.00 H new ATOM 218 N LEU A 18 7.963 -9.816 -4.293 1.00 0.00 N ATOM 219 CA LEU A 18 6.720 -9.201 -3.842 1.00 0.00 C ATOM 220 C LEU A 18 6.954 -8.348 -2.599 1.00 0.00 C ATOM 221 O LEU A 18 6.223 -7.391 -2.344 1.00 0.00 O ATOM 222 CB LEU A 18 5.674 -10.277 -3.546 1.00 0.00 C ATOM 223 CG LEU A 18 5.137 -11.042 -4.757 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.361 -12.271 -4.311 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.262 -10.138 -5.613 1.00 0.00 C ATOM 0 H LEU A 18 7.932 -10.834 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 18 6.353 -8.555 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.108 -10.996 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.833 -9.807 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 18 5.984 -11.371 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.987 -12.802 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.017 -12.928 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.522 -11.965 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.889 -10.699 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.421 -9.778 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.849 -9.289 -5.963 1.00 0.00 H new ATOM 237 N SER A 19 7.979 -8.702 -1.829 1.00 0.00 N ATOM 238 CA SER A 19 8.309 -7.970 -0.612 1.00 0.00 C ATOM 239 C SER A 19 9.451 -6.989 -0.860 1.00 0.00 C ATOM 240 O SER A 19 10.180 -6.624 0.060 1.00 0.00 O ATOM 241 CB SER A 19 8.690 -8.943 0.505 1.00 0.00 C ATOM 242 OG SER A 19 9.040 -8.248 1.690 1.00 0.00 O ATOM 0 H SER A 19 8.595 -9.491 -2.027 1.00 0.00 H new ATOM 0 HA SER A 19 7.428 -7.405 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.856 -9.615 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.527 -9.562 0.182 1.00 0.00 H new ATOM 0 HG SER A 19 9.343 -7.344 1.462 1.00 0.00 H new ATOM 248 N ASN A 20 9.599 -6.568 -2.112 1.00 0.00 N ATOM 249 CA ASN A 20 10.653 -5.630 -2.483 1.00 0.00 C ATOM 250 C ASN A 20 10.061 -4.352 -3.069 1.00 0.00 C ATOM 251 O ASN A 20 10.667 -3.714 -3.932 1.00 0.00 O ATOM 252 CB ASN A 20 11.605 -6.274 -3.492 1.00 0.00 C ATOM 253 CG ASN A 20 12.990 -5.656 -3.456 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.216 -4.652 -2.780 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.924 -6.255 -4.185 1.00 0.00 N ATOM 0 H ASN A 20 9.003 -6.861 -2.886 1.00 0.00 H new ATOM 0 HA ASN A 20 11.210 -5.372 -1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.681 -7.342 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.190 -6.172 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.874 -5.885 -4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.691 -7.085 -4.730 1.00 0.00 H new ATOM 262 N ILE A 21 8.876 -3.983 -2.595 1.00 0.00 N ATOM 263 CA ILE A 21 8.204 -2.780 -3.070 1.00 0.00 C ATOM 264 C ILE A 21 8.481 -1.595 -2.151 1.00 0.00 C ATOM 265 O ILE A 21 9.242 -1.706 -1.190 1.00 0.00 O ATOM 266 CB ILE A 21 6.682 -2.989 -3.174 1.00 0.00 C ATOM 267 CG1 ILE A 21 6.024 -2.800 -1.806 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.374 -4.372 -3.729 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.486 -3.800 -0.770 1.00 0.00 C ATOM 0 H ILE A 21 8.361 -4.500 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 21 8.602 -2.568 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 21 6.274 -2.245 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.235 -1.793 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.943 -2.878 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.294 -4.505 -3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.815 -4.472 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.792 -5.131 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.978 -3.606 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.250 -4.809 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.563 -3.707 -0.629 1.00 0.00 H new ATOM 281 N VAL A 22 7.858 -0.461 -2.453 1.00 0.00 N ATOM 282 CA VAL A 22 8.034 0.745 -1.652 1.00 0.00 C ATOM 283 C VAL A 22 6.715 1.191 -1.032 1.00 0.00 C ATOM 284 O VAL A 22 5.688 1.256 -1.709 1.00 0.00 O ATOM 285 CB VAL A 22 8.610 1.899 -2.494 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.891 3.110 -1.619 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.870 1.451 -3.220 1.00 0.00 C ATOM 0 H VAL A 22 7.227 -0.352 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 22 8.739 0.497 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 22 7.870 2.185 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.297 3.915 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.965 3.443 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.612 2.842 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.264 2.279 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.617 1.137 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.633 0.616 -3.879 1.00 0.00 H new ATOM 297 N LYS A 23 6.749 1.500 0.260 1.00 0.00 N ATOM 298 CA LYS A 23 5.557 1.943 0.973 1.00 0.00 C ATOM 299 C LYS A 23 4.789 2.980 0.158 1.00 0.00 C ATOM 300 O LYS A 23 5.371 3.803 -0.550 1.00 0.00 O ATOM 301 CB LYS A 23 5.939 2.530 2.333 1.00 0.00 C ATOM 302 CG LYS A 23 6.246 4.017 2.290 1.00 0.00 C ATOM 303 CD LYS A 23 6.409 4.593 3.686 1.00 0.00 C ATOM 304 CE LYS A 23 7.158 5.917 3.659 1.00 0.00 C ATOM 305 NZ LYS A 23 6.739 6.814 4.771 1.00 0.00 N ATOM 0 H LYS A 23 7.590 1.452 0.835 1.00 0.00 H new ATOM 0 HA LYS A 23 4.913 1.077 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.124 2.356 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.810 1.999 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.158 4.185 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.443 4.540 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.428 4.738 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.947 3.882 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.230 5.730 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.982 6.414 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.272 7.705 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.721 7.014 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.930 6.350 5.682 1.00 0.00 H new ATOM 319 N PRO A 24 3.452 2.942 0.259 1.00 0.00 N ATOM 320 CA PRO A 24 2.577 3.873 -0.459 1.00 0.00 C ATOM 321 C PRO A 24 2.676 5.296 0.080 1.00 0.00 C ATOM 322 O PRO A 24 3.251 5.528 1.144 1.00 0.00 O ATOM 323 CB PRO A 24 1.177 3.304 -0.215 1.00 0.00 C ATOM 324 CG PRO A 24 1.295 2.544 1.060 1.00 0.00 C ATOM 325 CD PRO A 24 2.692 1.988 1.084 1.00 0.00 C ATOM 0 HA PRO A 24 2.843 3.951 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.435 4.098 -0.135 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.864 2.657 -1.034 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.118 3.192 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.556 1.744 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.085 1.932 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.731 0.980 0.671 1.00 0.00 H new ATOM 333 N VAL A 25 2.112 6.245 -0.660 1.00 0.00 N ATOM 334 CA VAL A 25 2.135 7.645 -0.254 1.00 0.00 C ATOM 335 C VAL A 25 0.794 8.318 -0.526 1.00 0.00 C ATOM 336 O VAL A 25 0.202 8.138 -1.589 1.00 0.00 O ATOM 337 CB VAL A 25 3.245 8.423 -0.986 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.017 9.922 -0.863 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.612 8.037 -0.442 1.00 0.00 C ATOM 0 H VAL A 25 1.634 6.070 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 25 2.336 7.661 0.817 1.00 0.00 H new ATOM 0 HB VAL A 25 3.212 8.161 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.811 10.455 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.054 10.181 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.022 10.206 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.385 8.596 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.659 8.269 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.773 6.969 -0.588 1.00 0.00 H new ATOM 349 N ALA A 26 0.322 9.096 0.443 1.00 0.00 N ATOM 350 CA ALA A 26 -0.948 9.799 0.307 1.00 0.00 C ATOM 351 C ALA A 26 -0.744 11.195 -0.271 1.00 0.00 C ATOM 352 O ALA A 26 0.168 11.917 0.132 1.00 0.00 O ATOM 353 CB ALA A 26 -1.652 9.880 1.653 1.00 0.00 C ATOM 0 H ALA A 26 0.800 9.255 1.330 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.574 9.237 -0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.599 10.407 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.840 8.873 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.022 10.417 2.361 1.00 0.00 H new ATOM 359 N SER A 27 -1.598 11.569 -1.218 1.00 0.00 N ATOM 360 CA SER A 27 -1.508 12.878 -1.855 1.00 0.00 C ATOM 361 C SER A 27 -2.875 13.555 -1.901 1.00 0.00 C ATOM 362 O SER A 27 -3.147 14.481 -1.137 1.00 0.00 O ATOM 363 CB SER A 27 -0.946 12.742 -3.271 1.00 0.00 C ATOM 364 OG SER A 27 -1.639 11.744 -4.001 1.00 0.00 O ATOM 0 H SER A 27 -2.360 10.984 -1.561 1.00 0.00 H new ATOM 0 HA SER A 27 -0.835 13.497 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.025 13.697 -3.790 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.114 12.492 -3.223 1.00 0.00 H new ATOM 0 HG SER A 27 -1.262 11.677 -4.903 1.00 0.00 H new ATOM 370 N ASP A 28 -3.730 13.085 -2.802 1.00 0.00 N ATOM 371 CA ASP A 28 -5.070 13.643 -2.948 1.00 0.00 C ATOM 372 C ASP A 28 -5.975 13.190 -1.807 1.00 0.00 C ATOM 373 O ASP A 28 -7.019 12.579 -2.035 1.00 0.00 O ATOM 374 CB ASP A 28 -5.674 13.228 -4.290 1.00 0.00 C ATOM 375 CG ASP A 28 -6.634 14.266 -4.839 1.00 0.00 C ATOM 376 OD1 ASP A 28 -6.262 15.458 -4.872 1.00 0.00 O ATOM 377 OD2 ASP A 28 -7.756 13.887 -5.234 1.00 0.00 O ATOM 0 H ASP A 28 -3.520 12.319 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.990 14.730 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.873 13.062 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.198 12.280 -4.172 1.00 0.00 H new ATOM 382 N ILE A 29 -5.567 13.492 -0.579 1.00 0.00 N ATOM 383 CA ILE A 29 -6.341 13.116 0.597 1.00 0.00 C ATOM 384 C ILE A 29 -7.641 13.909 0.677 1.00 0.00 C ATOM 385 O ILE A 29 -7.625 15.131 0.826 1.00 0.00 O ATOM 386 CB ILE A 29 -5.538 13.336 1.893 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.234 12.536 1.854 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.370 12.942 3.105 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.139 13.122 2.717 1.00 0.00 C ATOM 0 H ILE A 29 -4.705 13.996 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.571 12.055 0.497 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.291 14.395 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.434 11.515 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.882 12.480 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.789 13.103 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.274 13.551 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.644 11.890 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.245 12.503 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.911 14.133 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.471 13.153 3.755 1.00 0.00 H new ATOM 401 N GLN A 30 -8.764 13.206 0.578 1.00 0.00 N ATOM 402 CA GLN A 30 -10.073 13.845 0.640 1.00 0.00 C ATOM 403 C GLN A 30 -10.812 13.450 1.914 1.00 0.00 C ATOM 404 O GLN A 30 -10.276 12.730 2.756 1.00 0.00 O ATOM 405 CB GLN A 30 -10.907 13.467 -0.586 1.00 0.00 C ATOM 406 CG GLN A 30 -10.779 14.451 -1.737 1.00 0.00 C ATOM 407 CD GLN A 30 -10.951 13.792 -3.091 1.00 0.00 C ATOM 408 OE1 GLN A 30 -10.353 12.752 -3.368 1.00 0.00 O ATOM 409 NE2 GLN A 30 -11.771 14.395 -3.943 1.00 0.00 N ATOM 0 H GLN A 30 -8.794 12.194 0.455 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.922 14.924 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.605 12.478 -0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.955 13.397 -0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.525 15.237 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.801 14.931 -1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.246 15.256 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.926 13.998 -4.870 1.00 0.00 H new ATOM 418 N ALA A 31 -12.045 13.927 2.049 1.00 0.00 N ATOM 419 CA ALA A 31 -12.858 13.623 3.220 1.00 0.00 C ATOM 420 C ALA A 31 -12.640 12.185 3.680 1.00 0.00 C ATOM 421 O ALA A 31 -11.992 11.940 4.698 1.00 0.00 O ATOM 422 CB ALA A 31 -14.329 13.866 2.919 1.00 0.00 C ATOM 0 H ALA A 31 -12.503 14.526 1.362 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.550 14.286 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.924 13.635 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.477 14.911 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.642 13.227 2.093 1.00 0.00 H new ATOM 428 N ARG A 32 -13.187 11.238 2.925 1.00 0.00 N ATOM 429 CA ARG A 32 -13.055 9.824 3.257 1.00 0.00 C ATOM 430 C ARG A 32 -12.182 9.105 2.233 1.00 0.00 C ATOM 431 O ARG A 32 -11.538 8.103 2.544 1.00 0.00 O ATOM 432 CB ARG A 32 -14.432 9.163 3.324 1.00 0.00 C ATOM 433 CG ARG A 32 -15.491 10.025 3.992 1.00 0.00 C ATOM 434 CD ARG A 32 -16.887 9.667 3.510 1.00 0.00 C ATOM 435 NE ARG A 32 -17.129 10.125 2.144 1.00 0.00 N ATOM 436 CZ ARG A 32 -18.242 9.864 1.468 1.00 0.00 C ATOM 437 NH1 ARG A 32 -19.211 9.153 2.028 1.00 0.00 N ATOM 438 NH2 ARG A 32 -18.388 10.315 0.228 1.00 0.00 N ATOM 0 H ARG A 32 -13.726 11.424 2.079 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.577 9.749 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.758 8.920 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.347 8.221 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.435 9.899 5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.291 11.076 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.021 8.586 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.626 10.111 4.177 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.404 10.675 1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.103 8.805 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.065 8.954 1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.645 10.862 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.243 10.114 -0.290 1.00 0.00 H new ATOM 452 N THR A 33 -12.166 9.623 1.009 1.00 0.00 N ATOM 453 CA THR A 33 -11.375 9.030 -0.062 1.00 0.00 C ATOM 454 C THR A 33 -10.016 9.711 -0.183 1.00 0.00 C ATOM 455 O THR A 33 -9.832 10.838 0.275 1.00 0.00 O ATOM 456 CB THR A 33 -12.104 9.119 -1.415 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.364 10.489 -1.742 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.413 8.344 -1.377 1.00 0.00 C ATOM 0 H THR A 33 -12.692 10.453 0.735 1.00 0.00 H new ATOM 0 HA THR A 33 -11.231 7.981 0.195 1.00 0.00 H new ATOM 0 HB THR A 33 -11.462 8.679 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.826 10.537 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.910 8.422 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.209 7.296 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.059 8.758 -0.603 1.00 0.00 H new ATOM 466 N VAL A 34 -9.066 9.019 -0.805 1.00 0.00 N ATOM 467 CA VAL A 34 -7.724 9.558 -0.989 1.00 0.00 C ATOM 468 C VAL A 34 -7.014 8.879 -2.154 1.00 0.00 C ATOM 469 O VAL A 34 -7.416 7.804 -2.599 1.00 0.00 O ATOM 470 CB VAL A 34 -6.873 9.392 0.284 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.706 9.677 1.525 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.274 7.995 0.344 1.00 0.00 C ATOM 0 H VAL A 34 -9.201 8.084 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.837 10.620 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.056 10.113 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.088 9.555 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.083 10.699 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.545 8.982 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.676 7.894 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.075 7.256 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.642 7.833 -0.529 1.00 0.00 H new ATOM 482 N VAL A 35 -5.955 9.515 -2.646 1.00 0.00 N ATOM 483 CA VAL A 35 -5.186 8.971 -3.760 1.00 0.00 C ATOM 484 C VAL A 35 -3.863 8.386 -3.280 1.00 0.00 C ATOM 485 O VAL A 35 -2.892 9.113 -3.064 1.00 0.00 O ATOM 486 CB VAL A 35 -4.903 10.048 -4.824 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.801 9.590 -5.767 1.00 0.00 C ATOM 488 CG2 VAL A 35 -6.172 10.380 -5.595 1.00 0.00 C ATOM 0 H VAL A 35 -5.610 10.407 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.789 8.180 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.564 10.953 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.615 10.364 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.889 9.406 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.108 8.671 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.954 11.143 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.543 9.482 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.929 10.753 -4.906 1.00 0.00 H new ATOM 498 N LEU A 36 -3.830 7.068 -3.116 1.00 0.00 N ATOM 499 CA LEU A 36 -2.624 6.383 -2.663 1.00 0.00 C ATOM 500 C LEU A 36 -1.780 5.925 -3.848 1.00 0.00 C ATOM 501 O LEU A 36 -2.231 5.135 -4.678 1.00 0.00 O ATOM 502 CB LEU A 36 -2.994 5.182 -1.791 1.00 0.00 C ATOM 503 CG LEU A 36 -1.896 4.666 -0.859 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.593 5.688 0.225 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.303 3.336 -0.242 1.00 0.00 C ATOM 0 H LEU A 36 -4.624 6.452 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.036 7.086 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.860 5.451 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.302 4.365 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.991 4.510 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.810 5.304 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.258 6.618 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.493 5.876 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.510 2.983 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.221 3.466 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.469 2.604 -1.032 1.00 0.00 H new ATOM 517 N THR A 37 -0.550 6.425 -3.920 1.00 0.00 N ATOM 518 CA THR A 37 0.359 6.067 -5.001 1.00 0.00 C ATOM 519 C THR A 37 1.590 5.343 -4.469 1.00 0.00 C ATOM 520 O THR A 37 2.269 5.835 -3.567 1.00 0.00 O ATOM 521 CB THR A 37 0.810 7.310 -5.791 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.303 8.186 -6.003 1.00 0.00 O ATOM 523 CG2 THR A 37 1.410 6.912 -7.131 1.00 0.00 C ATOM 0 H THR A 37 -0.161 7.080 -3.242 1.00 0.00 H new ATOM 0 HA THR A 37 -0.190 5.402 -5.667 1.00 0.00 H new ATOM 0 HB THR A 37 1.573 7.826 -5.208 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.008 8.975 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.721 7.807 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.274 6.269 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.665 6.375 -7.718 1.00 0.00 H new ATOM 531 N TRP A 38 1.873 4.174 -5.032 1.00 0.00 N ATOM 532 CA TRP A 38 3.024 3.383 -4.613 1.00 0.00 C ATOM 533 C TRP A 38 3.779 2.838 -5.820 1.00 0.00 C ATOM 534 O TRP A 38 3.237 2.770 -6.924 1.00 0.00 O ATOM 535 CB TRP A 38 2.576 2.230 -3.713 1.00 0.00 C ATOM 536 CG TRP A 38 1.709 1.230 -4.416 1.00 0.00 C ATOM 537 CD1 TRP A 38 2.117 0.259 -5.286 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.287 1.105 -4.311 1.00 0.00 C ATOM 539 NE1 TRP A 38 1.034 -0.462 -5.728 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.100 0.036 -5.144 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.697 1.789 -3.593 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.428 -0.360 -5.277 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.015 1.395 -3.726 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.371 0.328 -4.562 1.00 0.00 C ATOM 0 H TRP A 38 1.321 3.753 -5.780 1.00 0.00 H new ATOM 0 HA TRP A 38 3.695 4.033 -4.052 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.457 1.723 -3.319 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.032 2.635 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.141 0.084 -5.583 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.069 -1.242 -6.385 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.432 2.612 -2.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.705 -1.181 -5.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.784 1.918 -3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.410 0.043 -4.644 1.00 0.00 H new ATOM 555 N SER A 39 5.032 2.451 -5.605 1.00 0.00 N ATOM 556 CA SER A 39 5.862 1.916 -6.677 1.00 0.00 C ATOM 557 C SER A 39 5.888 0.391 -6.634 1.00 0.00 C ATOM 558 O SER A 39 5.705 -0.229 -5.587 1.00 0.00 O ATOM 559 CB SER A 39 7.286 2.465 -6.571 1.00 0.00 C ATOM 560 OG SER A 39 7.402 3.713 -7.231 1.00 0.00 O ATOM 0 H SER A 39 5.495 2.498 -4.697 1.00 0.00 H new ATOM 0 HA SER A 39 5.430 2.228 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.558 2.578 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.987 1.753 -7.007 1.00 0.00 H new ATOM 0 HG SER A 39 8.321 4.043 -7.147 1.00 0.00 H new ATOM 566 N PRO A 40 6.121 -0.229 -7.801 1.00 0.00 N ATOM 567 CA PRO A 40 6.178 -1.689 -7.924 1.00 0.00 C ATOM 568 C PRO A 40 7.411 -2.280 -7.250 1.00 0.00 C ATOM 569 O PRO A 40 8.345 -1.570 -6.877 1.00 0.00 O ATOM 570 CB PRO A 40 6.234 -1.915 -9.437 1.00 0.00 C ATOM 571 CG PRO A 40 6.825 -0.662 -9.985 1.00 0.00 C ATOM 572 CD PRO A 40 6.349 0.447 -9.089 1.00 0.00 C ATOM 0 HA PRO A 40 5.331 -2.173 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.845 -2.783 -9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.241 -2.097 -9.847 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.914 -0.716 -9.995 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.505 -0.497 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.092 1.239 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.436 0.907 -9.469 1.00 0.00 H new ATOM 580 N PRO A 41 7.418 -3.612 -7.091 1.00 0.00 N ATOM 581 CA PRO A 41 8.532 -4.328 -6.463 1.00 0.00 C ATOM 582 C PRO A 41 9.785 -4.327 -7.331 1.00 0.00 C ATOM 583 O PRO A 41 9.702 -4.266 -8.558 1.00 0.00 O ATOM 584 CB PRO A 41 7.993 -5.752 -6.303 1.00 0.00 C ATOM 585 CG PRO A 41 6.954 -5.885 -7.362 1.00 0.00 C ATOM 586 CD PRO A 41 6.339 -4.521 -7.512 1.00 0.00 C ATOM 0 HA PRO A 41 8.837 -3.865 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.784 -6.491 -6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.569 -5.906 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.395 -6.220 -8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.203 -6.623 -7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.031 -4.330 -8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.453 -4.409 -6.888 1.00 0.00 H new ATOM 594 N SER A 42 10.946 -4.395 -6.687 1.00 0.00 N ATOM 595 CA SER A 42 12.218 -4.399 -7.402 1.00 0.00 C ATOM 596 C SER A 42 12.725 -5.824 -7.601 1.00 0.00 C ATOM 597 O SER A 42 13.112 -6.496 -6.645 1.00 0.00 O ATOM 598 CB SER A 42 13.258 -3.578 -6.638 1.00 0.00 C ATOM 599 OG SER A 42 12.750 -2.298 -6.300 1.00 0.00 O ATOM 0 H SER A 42 11.032 -4.448 -5.672 1.00 0.00 H new ATOM 0 HA SER A 42 12.058 -3.949 -8.382 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.550 -4.108 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.156 -3.467 -7.245 1.00 0.00 H new ATOM 0 HG SER A 42 13.433 -1.794 -5.811 1.00 0.00 H new ATOM 605 N SER A 43 12.719 -6.278 -8.850 1.00 0.00 N ATOM 606 CA SER A 43 13.175 -7.625 -9.176 1.00 0.00 C ATOM 607 C SER A 43 14.697 -7.711 -9.121 1.00 0.00 C ATOM 608 O SER A 43 15.394 -7.145 -9.964 1.00 0.00 O ATOM 609 CB SER A 43 12.679 -8.031 -10.565 1.00 0.00 C ATOM 610 OG SER A 43 11.449 -7.399 -10.873 1.00 0.00 O ATOM 0 H SER A 43 12.404 -5.734 -9.653 1.00 0.00 H new ATOM 0 HA SER A 43 12.763 -8.311 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.426 -7.765 -11.313 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.556 -9.113 -10.609 1.00 0.00 H new ATOM 0 HG SER A 43 11.557 -6.847 -11.676 1.00 0.00 H new ATOM 616 N LEU A 44 15.207 -8.424 -8.122 1.00 0.00 N ATOM 617 CA LEU A 44 16.647 -8.586 -7.955 1.00 0.00 C ATOM 618 C LEU A 44 17.175 -9.709 -8.843 1.00 0.00 C ATOM 619 O LEU A 44 18.256 -10.247 -8.602 1.00 0.00 O ATOM 620 CB LEU A 44 16.981 -8.878 -6.491 1.00 0.00 C ATOM 621 CG LEU A 44 16.357 -7.937 -5.460 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.306 -8.602 -4.093 1.00 0.00 C ATOM 623 CD2 LEU A 44 17.133 -6.630 -5.392 1.00 0.00 C ATOM 0 H LEU A 44 14.645 -8.899 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 44 17.130 -7.655 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.664 -9.896 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 18.064 -8.847 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 44 15.336 -7.714 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.859 -7.918 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.706 -9.510 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.317 -8.856 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.675 -5.973 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 44 18.165 -6.834 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 44 17.116 -6.146 -6.368 1.00 0.00 H new ATOM 635 N ILE A 45 16.406 -10.056 -9.870 1.00 0.00 N ATOM 636 CA ILE A 45 16.798 -11.112 -10.795 1.00 0.00 C ATOM 637 C ILE A 45 18.133 -10.792 -11.460 1.00 0.00 C ATOM 638 O ILE A 45 18.778 -11.669 -12.033 1.00 0.00 O ATOM 639 CB ILE A 45 15.733 -11.330 -11.885 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.415 -11.788 -11.257 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.220 -12.346 -12.907 1.00 0.00 C ATOM 642 CD1 ILE A 45 13.238 -11.719 -12.204 1.00 0.00 C ATOM 0 H ILE A 45 15.508 -9.621 -10.082 1.00 0.00 H new ATOM 0 HA ILE A 45 16.897 -12.025 -10.208 1.00 0.00 H new ATOM 0 HB ILE A 45 15.560 -10.383 -12.397 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.527 -12.813 -10.904 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.205 -11.171 -10.383 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.456 -12.489 -13.671 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.136 -11.983 -13.374 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.418 -13.296 -12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.338 -12.058 -11.691 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.099 -10.691 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.427 -12.358 -13.066 1.00 0.00 H new ATOM 654 N ASN A 46 18.540 -9.529 -11.380 1.00 0.00 N ATOM 655 CA ASN A 46 19.799 -9.093 -11.973 1.00 0.00 C ATOM 656 C ASN A 46 19.702 -9.065 -13.496 1.00 0.00 C ATOM 657 O ASN A 46 20.707 -9.184 -14.195 1.00 0.00 O ATOM 658 CB ASN A 46 20.938 -10.019 -11.541 1.00 0.00 C ATOM 659 CG ASN A 46 20.730 -10.581 -10.148 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.867 -9.869 -9.153 1.00 0.00 O ATOM 661 ND2 ASN A 46 20.397 -11.864 -10.072 1.00 0.00 N ATOM 0 H ASN A 46 18.016 -8.790 -10.911 1.00 0.00 H new ATOM 0 HA ASN A 46 20.007 -8.083 -11.621 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.024 -10.841 -12.252 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.880 -9.471 -11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.244 -12.298 -9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.295 -12.416 -10.924 1.00 0.00 H new ATOM 668 N GLY A 47 18.482 -8.905 -14.002 1.00 0.00 N ATOM 669 CA GLY A 47 18.276 -8.863 -15.438 1.00 0.00 C ATOM 670 C GLY A 47 18.478 -10.215 -16.093 1.00 0.00 C ATOM 671 O GLY A 47 18.286 -10.362 -17.299 1.00 0.00 O ATOM 0 H GLY A 47 17.634 -8.804 -13.444 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.266 -8.509 -15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.964 -8.142 -15.880 1.00 0.00 H new ATOM 675 N GLU A 48 18.869 -11.205 -15.295 1.00 0.00 N ATOM 676 CA GLU A 48 19.101 -12.551 -15.806 1.00 0.00 C ATOM 677 C GLU A 48 17.933 -13.011 -16.674 1.00 0.00 C ATOM 678 O GLU A 48 18.107 -13.800 -17.603 1.00 0.00 O ATOM 679 CB GLU A 48 19.308 -13.531 -14.650 1.00 0.00 C ATOM 680 CG GLU A 48 19.912 -14.858 -15.077 1.00 0.00 C ATOM 681 CD GLU A 48 21.376 -14.739 -15.453 1.00 0.00 C ATOM 682 OE1 GLU A 48 21.664 -14.481 -16.641 1.00 0.00 O ATOM 683 OE2 GLU A 48 22.234 -14.903 -14.560 1.00 0.00 O ATOM 0 H GLU A 48 19.031 -11.100 -14.294 1.00 0.00 H new ATOM 0 HA GLU A 48 20.002 -12.529 -16.419 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.956 -13.069 -13.905 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.349 -13.717 -14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.807 -15.579 -14.266 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.353 -15.250 -15.927 1.00 0.00 H new ATOM 690 N THR A 49 16.740 -12.513 -16.364 1.00 0.00 N ATOM 691 CA THR A 49 15.543 -12.874 -17.113 1.00 0.00 C ATOM 692 C THR A 49 15.128 -11.753 -18.059 1.00 0.00 C ATOM 693 O THR A 49 15.483 -10.592 -17.855 1.00 0.00 O ATOM 694 CB THR A 49 14.367 -13.196 -16.171 1.00 0.00 C ATOM 695 OG1 THR A 49 13.339 -13.887 -16.890 1.00 0.00 O ATOM 696 CG2 THR A 49 13.799 -11.925 -15.559 1.00 0.00 C ATOM 0 H THR A 49 16.577 -11.858 -15.599 1.00 0.00 H new ATOM 0 HA THR A 49 15.789 -13.763 -17.693 1.00 0.00 H new ATOM 0 HB THR A 49 14.738 -13.832 -15.367 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.596 -14.090 -16.284 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.970 -12.178 -14.898 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.576 -11.417 -14.988 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.443 -11.267 -16.352 1.00 0.00 H new ATOM 704 N ASP A 50 14.374 -12.108 -19.094 1.00 0.00 N ATOM 705 CA ASP A 50 13.909 -11.131 -20.072 1.00 0.00 C ATOM 706 C ASP A 50 13.137 -10.005 -19.390 1.00 0.00 C ATOM 707 O ASP A 50 12.443 -10.228 -18.399 1.00 0.00 O ATOM 708 CB ASP A 50 13.027 -11.808 -21.121 1.00 0.00 C ATOM 709 CG ASP A 50 12.050 -12.793 -20.509 1.00 0.00 C ATOM 710 OD1 ASP A 50 12.504 -13.834 -19.990 1.00 0.00 O ATOM 711 OD2 ASP A 50 10.832 -12.521 -20.547 1.00 0.00 O ATOM 0 H ASP A 50 14.072 -13.065 -19.277 1.00 0.00 H new ATOM 0 HA ASP A 50 14.782 -10.703 -20.565 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.474 -11.047 -21.672 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.659 -12.328 -21.842 1.00 0.00 H new ATOM 716 N GLU A 51 13.265 -8.796 -19.928 1.00 0.00 N ATOM 717 CA GLU A 51 12.581 -7.636 -19.370 1.00 0.00 C ATOM 718 C GLU A 51 11.070 -7.757 -19.550 1.00 0.00 C ATOM 719 O GLU A 51 10.298 -7.055 -18.896 1.00 0.00 O ATOM 720 CB GLU A 51 13.083 -6.352 -20.033 1.00 0.00 C ATOM 721 CG GLU A 51 14.507 -5.986 -19.650 1.00 0.00 C ATOM 722 CD GLU A 51 14.875 -4.571 -20.054 1.00 0.00 C ATOM 723 OE1 GLU A 51 15.084 -4.334 -21.262 1.00 0.00 O ATOM 724 OE2 GLU A 51 14.952 -3.701 -19.161 1.00 0.00 O ATOM 0 H GLU A 51 13.836 -8.595 -20.749 1.00 0.00 H new ATOM 0 HA GLU A 51 12.801 -7.595 -18.303 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.025 -6.465 -21.116 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.420 -5.530 -19.762 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.629 -6.095 -18.572 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.197 -6.686 -20.122 1.00 0.00 H new ATOM 731 N SER A 52 10.656 -8.651 -20.442 1.00 0.00 N ATOM 732 CA SER A 52 9.238 -8.862 -20.712 1.00 0.00 C ATOM 733 C SER A 52 8.705 -10.050 -19.918 1.00 0.00 C ATOM 734 O SER A 52 7.706 -10.664 -20.294 1.00 0.00 O ATOM 735 CB SER A 52 9.010 -9.089 -22.207 1.00 0.00 C ATOM 736 OG SER A 52 9.173 -10.456 -22.545 1.00 0.00 O ATOM 0 H SER A 52 11.282 -9.241 -20.990 1.00 0.00 H new ATOM 0 HA SER A 52 8.697 -7.968 -20.401 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.007 -8.761 -22.479 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.711 -8.483 -22.781 1.00 0.00 H new ATOM 0 HG SER A 52 8.465 -10.985 -22.120 1.00 0.00 H new ATOM 742 N SER A 53 9.378 -10.368 -18.817 1.00 0.00 N ATOM 743 CA SER A 53 8.975 -11.485 -17.970 1.00 0.00 C ATOM 744 C SER A 53 8.224 -10.990 -16.738 1.00 0.00 C ATOM 745 O SER A 53 7.029 -11.242 -16.582 1.00 0.00 O ATOM 746 CB SER A 53 10.200 -12.297 -17.543 1.00 0.00 C ATOM 747 OG SER A 53 9.840 -13.628 -17.214 1.00 0.00 O ATOM 0 H SER A 53 10.205 -9.868 -18.490 1.00 0.00 H new ATOM 0 HA SER A 53 8.308 -12.124 -18.548 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.934 -12.304 -18.348 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.674 -11.822 -16.684 1.00 0.00 H new ATOM 0 HG SER A 53 10.640 -14.127 -16.946 1.00 0.00 H new ATOM 753 N VAL A 54 8.935 -10.284 -15.864 1.00 0.00 N ATOM 754 CA VAL A 54 8.337 -9.752 -14.645 1.00 0.00 C ATOM 755 C VAL A 54 6.972 -9.133 -14.927 1.00 0.00 C ATOM 756 O VAL A 54 6.847 -8.153 -15.662 1.00 0.00 O ATOM 757 CB VAL A 54 9.244 -8.692 -13.992 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.497 -9.339 -13.422 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.603 -7.607 -14.996 1.00 0.00 C ATOM 0 H VAL A 54 9.925 -10.067 -15.977 1.00 0.00 H new ATOM 0 HA VAL A 54 8.218 -10.590 -13.959 1.00 0.00 H new ATOM 0 HB VAL A 54 8.698 -8.228 -13.170 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.125 -8.575 -12.965 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.216 -10.076 -12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.049 -9.831 -14.223 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.244 -6.866 -14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.130 -8.052 -15.840 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.693 -7.124 -15.351 1.00 0.00 H new ATOM 769 N PRO A 55 5.923 -9.718 -14.330 1.00 0.00 N ATOM 770 CA PRO A 55 4.548 -9.240 -14.501 1.00 0.00 C ATOM 771 C PRO A 55 4.312 -7.897 -13.820 1.00 0.00 C ATOM 772 O PRO A 55 5.164 -7.409 -13.078 1.00 0.00 O ATOM 773 CB PRO A 55 3.708 -10.332 -13.835 1.00 0.00 C ATOM 774 CG PRO A 55 4.622 -10.960 -12.841 1.00 0.00 C ATOM 775 CD PRO A 55 5.999 -10.890 -13.442 1.00 0.00 C ATOM 0 HA PRO A 55 4.302 -9.073 -15.550 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.825 -9.913 -13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.356 -11.061 -14.565 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.585 -10.432 -11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.334 -11.993 -12.644 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.766 -10.766 -12.677 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.243 -11.798 -13.994 1.00 0.00 H new ATOM 783 N GLU A 56 3.150 -7.304 -14.076 1.00 0.00 N ATOM 784 CA GLU A 56 2.803 -6.016 -13.487 1.00 0.00 C ATOM 785 C GLU A 56 1.408 -6.058 -12.870 1.00 0.00 C ATOM 786 O GLU A 56 0.821 -5.019 -12.564 1.00 0.00 O ATOM 787 CB GLU A 56 2.873 -4.911 -14.543 1.00 0.00 C ATOM 788 CG GLU A 56 1.690 -4.906 -15.497 1.00 0.00 C ATOM 789 CD GLU A 56 1.597 -3.625 -16.304 1.00 0.00 C ATOM 790 OE1 GLU A 56 1.572 -2.537 -15.691 1.00 0.00 O ATOM 791 OE2 GLU A 56 1.549 -3.712 -17.549 1.00 0.00 O ATOM 0 H GLU A 56 2.433 -7.695 -14.687 1.00 0.00 H new ATOM 0 HA GLU A 56 3.524 -5.800 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.929 -3.944 -14.042 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.792 -5.027 -15.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.773 -5.754 -16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.769 -5.041 -14.929 1.00 0.00 H new ATOM 798 N LEU A 57 0.884 -7.265 -12.690 1.00 0.00 N ATOM 799 CA LEU A 57 -0.443 -7.443 -12.110 1.00 0.00 C ATOM 800 C LEU A 57 -0.346 -7.810 -10.633 1.00 0.00 C ATOM 801 O LEU A 57 -1.263 -8.409 -10.070 1.00 0.00 O ATOM 802 CB LEU A 57 -1.211 -8.528 -12.867 1.00 0.00 C ATOM 803 CG LEU A 57 -1.437 -8.274 -14.358 1.00 0.00 C ATOM 804 CD1 LEU A 57 -1.828 -6.824 -14.598 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.191 -8.631 -15.156 1.00 0.00 C ATOM 0 H LEU A 57 1.357 -8.134 -12.937 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.980 -6.499 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.673 -9.470 -12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.182 -8.658 -12.390 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.254 -8.911 -14.696 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.985 -6.661 -15.664 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.748 -6.601 -14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.032 -6.169 -14.244 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.371 -8.444 -16.215 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.646 -8.021 -14.817 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.046 -9.685 -15.009 1.00 0.00 H new ATOM 817 N TYR A 58 0.769 -7.445 -10.010 1.00 0.00 N ATOM 818 CA TYR A 58 0.985 -7.736 -8.597 1.00 0.00 C ATOM 819 C TYR A 58 -0.172 -7.217 -7.750 1.00 0.00 C ATOM 820 O TYR A 58 -0.290 -6.017 -7.509 1.00 0.00 O ATOM 821 CB TYR A 58 2.299 -7.113 -8.123 1.00 0.00 C ATOM 822 CG TYR A 58 3.509 -7.588 -8.895 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.863 -8.932 -8.911 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.297 -6.694 -9.608 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.968 -9.370 -9.615 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.403 -7.124 -10.316 1.00 0.00 C ATOM 827 CZ TYR A 58 5.735 -8.463 -10.316 1.00 0.00 C ATOM 828 OH TYR A 58 6.836 -8.896 -11.019 1.00 0.00 O ATOM 0 H TYR A 58 1.537 -6.947 -10.461 1.00 0.00 H new ATOM 0 HA TYR A 58 1.039 -8.818 -8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.228 -6.029 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.440 -7.342 -7.067 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.264 -9.646 -8.364 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.041 -5.645 -9.609 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.230 -10.418 -9.616 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.004 -6.416 -10.866 1.00 0.00 H new ATOM 0 HH TYR A 58 6.747 -8.636 -11.960 1.00 0.00 H new ATOM 838 N GLY A 59 -1.026 -8.133 -7.301 1.00 0.00 N ATOM 839 CA GLY A 59 -2.163 -7.750 -6.485 1.00 0.00 C ATOM 840 C GLY A 59 -1.752 -7.003 -5.232 1.00 0.00 C ATOM 841 O GLY A 59 -1.255 -7.602 -4.278 1.00 0.00 O ATOM 0 H GLY A 59 -0.950 -9.133 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.834 -7.124 -7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.722 -8.643 -6.205 1.00 0.00 H new ATOM 845 N TYR A 60 -1.959 -5.690 -5.233 1.00 0.00 N ATOM 846 CA TYR A 60 -1.603 -4.860 -4.089 1.00 0.00 C ATOM 847 C TYR A 60 -2.796 -4.678 -3.155 1.00 0.00 C ATOM 848 O TYR A 60 -3.892 -4.329 -3.593 1.00 0.00 O ATOM 849 CB TYR A 60 -1.097 -3.495 -4.560 1.00 0.00 C ATOM 850 CG TYR A 60 0.020 -3.582 -5.575 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.272 -4.070 -5.220 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.175 -3.174 -6.889 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.296 -4.150 -6.144 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.843 -3.251 -7.820 1.00 0.00 C ATOM 855 CZ TYR A 60 2.077 -3.740 -7.442 1.00 0.00 C ATOM 856 OH TYR A 60 3.093 -3.818 -8.366 1.00 0.00 O ATOM 0 H TYR A 60 -2.371 -5.179 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.808 -5.365 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.928 -2.938 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.749 -2.928 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.447 -4.392 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.139 -2.790 -7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.263 -4.532 -5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.674 -2.930 -8.837 1.00 0.00 H new ATOM 0 HH TYR A 60 2.773 -3.491 -9.232 1.00 0.00 H new ATOM 866 N GLU A 61 -2.572 -4.916 -1.867 1.00 0.00 N ATOM 867 CA GLU A 61 -3.628 -4.779 -0.871 1.00 0.00 C ATOM 868 C GLU A 61 -3.314 -3.647 0.103 1.00 0.00 C ATOM 869 O GLU A 61 -2.243 -3.614 0.710 1.00 0.00 O ATOM 870 CB GLU A 61 -3.811 -6.090 -0.104 1.00 0.00 C ATOM 871 CG GLU A 61 -4.717 -5.965 1.109 1.00 0.00 C ATOM 872 CD GLU A 61 -5.131 -7.312 1.670 1.00 0.00 C ATOM 873 OE1 GLU A 61 -4.238 -8.140 1.946 1.00 0.00 O ATOM 874 OE2 GLU A 61 -6.349 -7.537 1.832 1.00 0.00 O ATOM 0 H GLU A 61 -1.670 -5.204 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.555 -4.540 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.223 -6.841 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.835 -6.452 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.204 -5.395 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.608 -5.400 0.835 1.00 0.00 H new ATOM 881 N VAL A 62 -4.255 -2.720 0.248 1.00 0.00 N ATOM 882 CA VAL A 62 -4.080 -1.586 1.148 1.00 0.00 C ATOM 883 C VAL A 62 -4.545 -1.928 2.559 1.00 0.00 C ATOM 884 O VAL A 62 -5.724 -2.198 2.788 1.00 0.00 O ATOM 885 CB VAL A 62 -4.852 -0.350 0.651 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.800 0.764 1.685 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.296 0.124 -0.684 1.00 0.00 C ATOM 0 H VAL A 62 -5.147 -2.732 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.014 -1.357 1.165 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.896 -0.629 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.351 1.629 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.249 0.418 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.762 1.045 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.853 0.998 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.245 0.387 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.391 -0.673 -1.421 1.00 0.00 H new ATOM 897 N LEU A 63 -3.610 -1.914 3.503 1.00 0.00 N ATOM 898 CA LEU A 63 -3.923 -2.222 4.894 1.00 0.00 C ATOM 899 C LEU A 63 -3.911 -0.959 5.748 1.00 0.00 C ATOM 900 O LEU A 63 -3.046 -0.097 5.587 1.00 0.00 O ATOM 901 CB LEU A 63 -2.923 -3.237 5.451 1.00 0.00 C ATOM 902 CG LEU A 63 -2.582 -4.414 4.536 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.274 -5.062 4.965 1.00 0.00 C ATOM 904 CD2 LEU A 63 -3.710 -5.435 4.538 1.00 0.00 C ATOM 0 H LEU A 63 -2.629 -1.693 3.330 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.924 -2.652 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.999 -2.712 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.320 -3.632 6.386 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.461 -4.037 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.047 -5.897 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.470 -4.328 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.366 -5.425 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.450 -6.266 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.862 -5.807 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.627 -4.965 4.183 1.00 0.00 H new ATOM 916 N ILE A 64 -4.875 -0.855 6.657 1.00 0.00 N ATOM 917 CA ILE A 64 -4.973 0.301 7.538 1.00 0.00 C ATOM 918 C ILE A 64 -5.549 -0.088 8.895 1.00 0.00 C ATOM 919 O ILE A 64 -6.378 -0.994 8.992 1.00 0.00 O ATOM 920 CB ILE A 64 -5.848 1.408 6.920 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.279 0.904 6.719 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.255 1.876 5.599 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.280 2.011 6.473 1.00 0.00 C ATOM 0 H ILE A 64 -5.599 -1.558 6.802 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.960 0.681 7.672 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.874 2.256 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.298 0.214 5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.584 0.339 7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.884 2.658 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.253 2.269 5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.203 1.036 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.273 1.581 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.290 2.689 7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.000 2.562 5.575 1.00 0.00 H new ATOM 935 N SER A 65 -5.107 0.603 9.941 1.00 0.00 N ATOM 936 CA SER A 65 -5.577 0.328 11.293 1.00 0.00 C ATOM 937 C SER A 65 -5.909 1.624 12.027 1.00 0.00 C ATOM 938 O SER A 65 -5.064 2.193 12.717 1.00 0.00 O ATOM 939 CB SER A 65 -4.521 -0.457 12.074 1.00 0.00 C ATOM 940 OG SER A 65 -4.901 -0.613 13.430 1.00 0.00 O ATOM 0 H SER A 65 -4.424 1.358 9.878 1.00 0.00 H new ATOM 0 HA SER A 65 -6.485 -0.271 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.380 -1.437 11.618 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.564 0.061 12.019 1.00 0.00 H new ATOM 0 HG SER A 65 -5.421 -1.438 13.531 1.00 0.00 H new ATOM 946 N SER A 66 -7.146 2.085 11.872 1.00 0.00 N ATOM 947 CA SER A 66 -7.590 3.316 12.516 1.00 0.00 C ATOM 948 C SER A 66 -7.188 3.334 13.987 1.00 0.00 C ATOM 949 O SER A 66 -7.000 4.398 14.579 1.00 0.00 O ATOM 950 CB SER A 66 -9.107 3.465 12.388 1.00 0.00 C ATOM 951 OG SER A 66 -9.780 2.372 12.990 1.00 0.00 O ATOM 0 H SER A 66 -7.859 1.625 11.306 1.00 0.00 H new ATOM 0 HA SER A 66 -7.107 4.154 12.015 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.425 4.395 12.858 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.382 3.530 11.335 1.00 0.00 H new ATOM 0 HG SER A 66 -10.748 2.492 12.896 1.00 0.00 H new ATOM 957 N THR A 67 -7.058 2.148 14.574 1.00 0.00 N ATOM 958 CA THR A 67 -6.679 2.026 15.976 1.00 0.00 C ATOM 959 C THR A 67 -5.254 2.516 16.206 1.00 0.00 C ATOM 960 O THR A 67 -5.033 3.513 16.891 1.00 0.00 O ATOM 961 CB THR A 67 -6.795 0.570 16.464 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.128 0.089 16.258 1.00 0.00 O ATOM 963 CG2 THR A 67 -6.435 0.464 17.939 1.00 0.00 C ATOM 0 H THR A 67 -7.210 1.258 14.099 1.00 0.00 H new ATOM 0 HA THR A 67 -7.369 2.648 16.545 1.00 0.00 H new ATOM 0 HB THR A 67 -6.097 -0.039 15.890 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.193 -0.838 16.569 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.524 -0.573 18.262 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.410 0.804 18.089 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.113 1.085 18.524 1.00 0.00 H new ATOM 971 N GLY A 68 -4.289 1.807 15.627 1.00 0.00 N ATOM 972 CA GLY A 68 -2.897 2.186 15.780 1.00 0.00 C ATOM 973 C GLY A 68 -1.960 1.275 15.012 1.00 0.00 C ATOM 974 O GLY A 68 -2.316 0.145 14.678 1.00 0.00 O ATOM 0 H GLY A 68 -4.447 0.977 15.055 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.763 3.212 15.437 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.632 2.166 16.837 1.00 0.00 H new ATOM 978 N LYS A 69 -0.759 1.767 14.728 1.00 0.00 N ATOM 979 CA LYS A 69 0.233 0.991 13.993 1.00 0.00 C ATOM 980 C LYS A 69 0.451 -0.370 14.646 1.00 0.00 C ATOM 981 O LYS A 69 0.931 -1.306 14.006 1.00 0.00 O ATOM 982 CB LYS A 69 1.558 1.753 13.924 1.00 0.00 C ATOM 983 CG LYS A 69 2.635 1.030 13.135 1.00 0.00 C ATOM 984 CD LYS A 69 3.598 2.006 12.481 1.00 0.00 C ATOM 985 CE LYS A 69 4.191 2.970 13.498 1.00 0.00 C ATOM 986 NZ LYS A 69 5.299 2.347 14.272 1.00 0.00 N ATOM 0 H LYS A 69 -0.449 2.701 14.996 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.142 0.834 12.982 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.383 2.730 13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.919 1.930 14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.186 0.363 13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.171 0.408 12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.400 1.454 11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.077 2.568 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.561 3.857 12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.410 3.300 14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.676 3.036 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.941 1.515 14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.056 2.055 13.621 1.00 0.00 H new ATOM 1000 N ASP A 70 0.094 -0.474 15.921 1.00 0.00 N ATOM 1001 CA ASP A 70 0.248 -1.722 16.660 1.00 0.00 C ATOM 1002 C ASP A 70 -1.110 -2.354 16.948 1.00 0.00 C ATOM 1003 O ASP A 70 -1.368 -2.816 18.058 1.00 0.00 O ATOM 1004 CB ASP A 70 0.998 -1.475 17.970 1.00 0.00 C ATOM 1005 CG ASP A 70 1.718 -2.713 18.467 1.00 0.00 C ATOM 1006 OD1 ASP A 70 1.219 -3.829 18.216 1.00 0.00 O ATOM 1007 OD2 ASP A 70 2.779 -2.565 19.108 1.00 0.00 O ATOM 0 H ASP A 70 -0.304 0.291 16.465 1.00 0.00 H new ATOM 0 HA ASP A 70 0.826 -2.411 16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.720 -0.671 17.826 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.294 -1.138 18.731 1.00 0.00 H new ATOM 1012 N GLY A 71 -1.976 -2.370 15.939 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.297 -2.946 16.105 1.00 0.00 C ATOM 1014 C GLY A 71 -3.651 -3.914 14.993 1.00 0.00 C ATOM 1015 O GLY A 71 -2.772 -4.538 14.399 1.00 0.00 O ATOM 0 H GLY A 71 -1.786 -1.994 15.010 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.347 -3.464 17.063 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.037 -2.147 16.136 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.943 -4.041 14.710 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.413 -4.940 13.663 1.00 0.00 C ATOM 1021 C LYS A 72 -5.615 -4.188 12.351 1.00 0.00 C ATOM 1022 O LYS A 72 -6.158 -3.083 12.334 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.723 -5.609 14.086 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.010 -6.905 13.347 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.503 -7.168 13.243 1.00 0.00 C ATOM 1026 CE LYS A 72 -8.794 -8.404 12.405 1.00 0.00 C ATOM 1027 NZ LYS A 72 -8.291 -9.646 13.055 1.00 0.00 N ATOM 0 H LYS A 72 -5.684 -3.532 15.192 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.654 -5.707 13.510 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.689 -5.811 15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.546 -4.915 13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.577 -6.859 12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.529 -7.735 13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.921 -7.297 14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.996 -6.303 12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.869 -8.488 12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.332 -8.295 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.597 -10.474 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.252 -9.621 13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.672 -9.712 14.020 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.175 -4.794 11.253 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.307 -4.181 9.937 1.00 0.00 C ATOM 1043 C TYR A 73 -6.290 -4.961 9.069 1.00 0.00 C ATOM 1044 O TYR A 73 -6.451 -6.171 9.225 1.00 0.00 O ATOM 1045 CB TYR A 73 -3.944 -4.110 9.246 1.00 0.00 C ATOM 1046 CG TYR A 73 -3.106 -2.929 9.681 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.621 -2.838 10.980 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.799 -1.905 8.794 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.855 -1.761 11.383 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -2.033 -0.825 9.187 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.563 -0.757 10.483 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.801 0.318 10.879 1.00 0.00 O ATOM 0 H TYR A 73 -4.724 -5.709 11.249 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.692 -3.170 10.072 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.395 -5.029 9.449 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.095 -4.060 8.168 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.847 -3.623 11.687 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.166 -1.954 7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.487 -1.705 12.397 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.803 -0.038 8.484 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.296 0.661 10.112 1.00 0.00 H new ATOM 1062 N LYS A 74 -6.945 -4.258 8.151 1.00 0.00 N ATOM 1063 CA LYS A 74 -7.911 -4.881 7.255 1.00 0.00 C ATOM 1064 C LYS A 74 -7.656 -4.470 5.809 1.00 0.00 C ATOM 1065 O LYS A 74 -6.765 -3.668 5.529 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.336 -4.499 7.662 1.00 0.00 C ATOM 1067 CG LYS A 74 -9.698 -3.061 7.331 1.00 0.00 C ATOM 1068 CD LYS A 74 -9.337 -2.119 8.468 1.00 0.00 C ATOM 1069 CE LYS A 74 -10.274 -0.923 8.520 1.00 0.00 C ATOM 1070 NZ LYS A 74 -11.664 -1.322 8.874 1.00 0.00 N ATOM 0 H LYS A 74 -6.824 -3.255 8.008 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.796 -5.962 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.039 -5.166 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.453 -4.657 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.178 -2.754 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.766 -2.992 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.379 -2.657 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.311 -1.773 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.905 -0.204 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.276 -0.421 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.157 -0.515 9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.170 -1.617 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.637 -2.113 9.549 1.00 0.00 H new ATOM 1084 N SER A 75 -8.445 -5.022 4.893 1.00 0.00 N ATOM 1085 CA SER A 75 -8.303 -4.714 3.475 1.00 0.00 C ATOM 1086 C SER A 75 -9.379 -3.732 3.022 1.00 0.00 C ATOM 1087 O SER A 75 -10.574 -4.011 3.123 1.00 0.00 O ATOM 1088 CB SER A 75 -8.383 -5.995 2.642 1.00 0.00 C ATOM 1089 OG SER A 75 -9.725 -6.298 2.301 1.00 0.00 O ATOM 0 H SER A 75 -9.190 -5.685 5.108 1.00 0.00 H new ATOM 0 HA SER A 75 -7.327 -4.252 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.791 -5.880 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.950 -6.824 3.202 1.00 0.00 H new ATOM 0 HG SER A 75 -10.331 -5.742 2.834 1.00 0.00 H new ATOM 1095 N VAL A 76 -8.946 -2.579 2.522 1.00 0.00 N ATOM 1096 CA VAL A 76 -9.870 -1.554 2.052 1.00 0.00 C ATOM 1097 C VAL A 76 -9.968 -1.558 0.530 1.00 0.00 C ATOM 1098 O VAL A 76 -10.956 -1.095 -0.040 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.441 -0.152 2.524 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.443 -0.076 4.043 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.071 0.202 1.965 1.00 0.00 C ATOM 0 H VAL A 76 -7.961 -2.331 2.432 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.846 -1.789 2.477 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.160 0.575 2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.137 0.922 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.446 -0.283 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.747 -0.812 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.784 1.196 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.338 -0.527 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.109 0.191 0.876 1.00 0.00 H new ATOM 1111 N TYR A 77 -8.938 -2.085 -0.122 1.00 0.00 N ATOM 1112 CA TYR A 77 -8.907 -2.148 -1.578 1.00 0.00 C ATOM 1113 C TYR A 77 -7.890 -3.180 -2.057 1.00 0.00 C ATOM 1114 O TYR A 77 -6.818 -3.332 -1.470 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.570 -0.775 -2.162 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.156 -0.820 -3.616 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -6.957 -1.408 -3.999 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -8.965 -0.276 -4.606 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.574 -1.450 -5.326 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.591 -0.315 -5.935 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.395 -0.903 -6.290 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.018 -0.945 -7.613 1.00 0.00 O ATOM 0 H TYR A 77 -8.113 -2.475 0.335 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.895 -2.450 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.438 -0.123 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.766 -0.328 -1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.313 -1.840 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.902 0.185 -4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.637 -1.908 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.232 0.113 -6.692 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.707 -0.518 -8.163 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.234 -3.887 -3.128 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.352 -4.904 -3.689 1.00 0.00 C ATOM 1134 C VAL A 78 -7.406 -4.899 -5.213 1.00 0.00 C ATOM 1135 O VAL A 78 -8.392 -5.326 -5.811 1.00 0.00 O ATOM 1136 CB VAL A 78 -7.720 -6.310 -3.178 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -6.536 -7.255 -3.315 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -8.196 -6.244 -1.735 1.00 0.00 C ATOM 0 H VAL A 78 -9.118 -3.774 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.341 -4.660 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.536 -6.698 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.815 -8.243 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.246 -7.325 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.698 -6.875 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.452 -7.246 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.403 -5.836 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.075 -5.603 -1.671 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.337 -4.412 -5.836 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.282 -4.360 -7.285 1.00 0.00 C ATOM 1150 C GLY A 79 -4.903 -4.684 -7.825 1.00 0.00 C ATOM 1151 O GLY A 79 -4.017 -5.093 -7.076 1.00 0.00 O ATOM 0 H GLY A 79 -5.508 -4.053 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.005 -5.063 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.576 -3.366 -7.621 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.722 -4.501 -9.129 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.442 -4.778 -9.768 1.00 0.00 C ATOM 1157 C GLU A 80 -2.670 -3.487 -10.025 1.00 0.00 C ATOM 1158 O GLU A 80 -1.440 -3.469 -9.988 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.655 -5.527 -11.085 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.191 -6.938 -10.903 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.579 -6.960 -10.293 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.406 -6.103 -10.670 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.839 -7.833 -9.440 1.00 0.00 O ATOM 0 H GLU A 80 -5.446 -4.162 -9.763 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.857 -5.403 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.349 -4.961 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.709 -5.573 -11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.215 -7.441 -11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.509 -7.502 -10.267 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.403 -2.408 -10.284 1.00 0.00 N ATOM 1171 CA GLU A 81 -2.787 -1.113 -10.548 1.00 0.00 C ATOM 1172 C GLU A 81 -2.081 -0.582 -9.303 1.00 0.00 C ATOM 1173 O GLU A 81 -2.477 -0.880 -8.176 1.00 0.00 O ATOM 1174 CB GLU A 81 -3.842 -0.108 -11.017 1.00 0.00 C ATOM 1175 CG GLU A 81 -4.658 0.490 -9.884 1.00 0.00 C ATOM 1176 CD GLU A 81 -5.887 1.230 -10.378 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -5.758 2.419 -10.737 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -6.976 0.620 -10.407 1.00 0.00 O ATOM 0 H GLU A 81 -4.422 -2.405 -10.317 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.046 -1.246 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.348 0.697 -11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.516 -0.601 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.966 -0.304 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.032 1.175 -9.312 1.00 0.00 H new ATOM 1185 N THR A 82 -1.032 0.206 -9.516 1.00 0.00 N ATOM 1186 CA THR A 82 -0.270 0.777 -8.413 1.00 0.00 C ATOM 1187 C THR A 82 -1.030 1.922 -7.753 1.00 0.00 C ATOM 1188 O THR A 82 -1.182 1.956 -6.533 1.00 0.00 O ATOM 1189 CB THR A 82 1.102 1.293 -8.886 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.930 2.244 -9.943 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.975 0.144 -9.369 1.00 0.00 C ATOM 0 H THR A 82 -0.691 0.463 -10.442 1.00 0.00 H new ATOM 0 HA THR A 82 -0.120 -0.022 -7.687 1.00 0.00 H new ATOM 0 HB THR A 82 1.595 1.774 -8.041 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.807 2.569 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.939 0.533 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.128 -0.564 -8.554 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.484 -0.361 -10.201 1.00 0.00 H new ATOM 1199 N ASN A 83 -1.507 2.857 -8.569 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.252 4.004 -8.063 1.00 0.00 C ATOM 1201 C ASN A 83 -3.730 3.662 -7.899 1.00 0.00 C ATOM 1202 O ASN A 83 -4.410 3.322 -8.868 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.095 5.197 -9.008 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.309 6.106 -8.998 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.014 6.229 -10.001 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.559 6.748 -7.863 1.00 0.00 N ATOM 0 H ASN A 83 -1.391 2.843 -9.582 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.847 4.267 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.213 5.770 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.924 4.834 -10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.362 7.373 -7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.948 6.616 -7.057 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.220 3.756 -6.668 1.00 0.00 N ATOM 1214 CA ILE A 84 -5.617 3.459 -6.377 1.00 0.00 C ATOM 1215 C ILE A 84 -6.198 4.461 -5.386 1.00 0.00 C ATOM 1216 O ILE A 84 -5.462 5.145 -4.674 1.00 0.00 O ATOM 1217 CB ILE A 84 -5.784 2.037 -5.809 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.489 2.026 -4.308 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -4.872 1.064 -6.540 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.709 2.280 -3.450 1.00 0.00 C ATOM 0 H ILE A 84 -3.670 4.036 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.157 3.531 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.816 1.721 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.059 1.062 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.736 2.783 -4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.002 0.064 -6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.125 1.055 -7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.835 1.375 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.425 2.258 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.127 3.257 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.455 1.508 -3.641 1.00 0.00 H new ATOM 1232 N THR A 85 -7.524 4.544 -5.344 1.00 0.00 N ATOM 1233 CA THR A 85 -8.205 5.462 -4.440 1.00 0.00 C ATOM 1234 C THR A 85 -8.933 4.706 -3.334 1.00 0.00 C ATOM 1235 O THR A 85 -9.765 3.839 -3.604 1.00 0.00 O ATOM 1236 CB THR A 85 -9.217 6.346 -5.194 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.528 7.220 -6.095 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.050 7.166 -4.221 1.00 0.00 C ATOM 0 H THR A 85 -8.148 3.986 -5.926 1.00 0.00 H new ATOM 0 HA THR A 85 -7.438 6.097 -3.998 1.00 0.00 H new ATOM 0 HB THR A 85 -9.884 5.695 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.178 7.777 -6.572 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.757 7.782 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.596 6.497 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.395 7.808 -3.632 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.616 5.041 -2.088 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.241 4.394 -0.940 1.00 0.00 C ATOM 1248 C LEU A 86 -10.678 4.871 -0.762 1.00 0.00 C ATOM 1249 O LEU A 86 -11.057 5.930 -1.260 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.436 4.676 0.330 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.189 3.818 0.539 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.153 4.110 -0.535 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -6.605 4.054 1.925 1.00 0.00 C ATOM 0 H LEU A 86 -7.930 5.757 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.255 3.319 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.134 5.723 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.093 4.542 1.190 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.476 2.769 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.272 3.489 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.574 3.889 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.869 5.162 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.718 3.435 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.334 5.104 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.345 3.792 2.681 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.474 4.083 -0.045 1.00 0.00 N ATOM 1266 CA ASN A 87 -12.870 4.426 0.200 1.00 0.00 C ATOM 1267 C ASN A 87 -13.352 3.831 1.520 1.00 0.00 C ATOM 1268 O ASN A 87 -12.737 2.911 2.059 1.00 0.00 O ATOM 1269 CB ASN A 87 -13.749 3.928 -0.949 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.046 4.005 -2.290 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -12.453 3.029 -2.750 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -13.109 5.170 -2.924 1.00 0.00 N ATOM 0 H ASN A 87 -11.176 3.203 0.376 1.00 0.00 H new ATOM 0 HA ASN A 87 -12.946 5.512 0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -14.045 2.897 -0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.663 4.520 -0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.655 5.283 -3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.612 5.952 -2.505 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.457 4.361 2.033 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.023 3.882 3.288 1.00 0.00 C ATOM 1281 C ASP A 88 -14.063 4.130 4.447 1.00 0.00 C ATOM 1282 O ASP A 88 -13.786 3.229 5.241 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.349 2.391 3.189 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.074 2.041 1.904 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -16.746 2.930 1.341 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -15.969 0.878 1.462 1.00 0.00 O ATOM 0 H ASP A 88 -14.978 5.123 1.599 1.00 0.00 H new ATOM 0 HA ASP A 88 -15.943 4.435 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.425 1.815 3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.964 2.099 4.041 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.558 5.355 4.539 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.627 5.721 5.600 1.00 0.00 C ATOM 1293 C LEU A 89 -13.276 6.693 6.582 1.00 0.00 C ATOM 1294 O LEU A 89 -14.418 7.111 6.394 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.364 6.347 5.006 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.681 5.551 3.893 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.394 6.235 3.459 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.402 4.127 4.351 1.00 0.00 C ATOM 0 H LEU A 89 -13.778 6.112 3.891 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.355 4.814 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.620 7.332 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.645 6.499 5.811 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.353 5.511 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.922 5.654 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.620 7.235 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.716 6.307 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.916 3.575 3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.749 4.147 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.341 3.638 4.611 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.539 7.049 7.628 1.00 0.00 N ATOM 1311 CA LYS A 90 -13.039 7.974 8.638 1.00 0.00 C ATOM 1312 C LYS A 90 -12.389 9.346 8.489 1.00 0.00 C ATOM 1313 O LYS A 90 -11.181 9.510 8.666 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.775 7.422 10.040 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.121 8.397 11.153 1.00 0.00 C ATOM 1316 CD LYS A 90 -13.528 7.671 12.424 1.00 0.00 C ATOM 1317 CE LYS A 90 -13.927 8.647 13.520 1.00 0.00 C ATOM 1318 NZ LYS A 90 -14.688 7.976 14.610 1.00 0.00 N ATOM 0 H LYS A 90 -11.592 6.711 7.799 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.114 8.083 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.353 6.508 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.723 7.149 10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.262 9.037 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.933 9.048 10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.361 7.001 12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.701 7.051 12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.033 9.113 13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.533 9.446 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.942 8.675 15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.554 7.553 14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.101 7.231 15.036 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.206 10.356 8.157 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.732 11.732 7.980 1.00 0.00 C ATOM 1334 C PRO A 91 -12.312 12.375 9.297 1.00 0.00 C ATOM 1335 O PRO A 91 -12.731 11.943 10.371 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.950 12.454 7.397 1.00 0.00 C ATOM 1337 CG PRO A 91 -15.121 11.663 7.868 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.656 10.234 7.931 1.00 0.00 C ATOM 0 HA PRO A 91 -11.847 11.780 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.003 13.485 7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.907 12.487 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.457 12.008 8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.964 11.769 7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.144 9.688 8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.875 9.699 7.007 1.00 0.00 H new ATOM 1346 N ALA A 92 -11.481 13.409 9.208 1.00 0.00 N ATOM 1347 CA ALA A 92 -11.007 14.112 10.392 1.00 0.00 C ATOM 1348 C ALA A 92 -10.254 13.170 11.325 1.00 0.00 C ATOM 1349 O ALA A 92 -10.341 13.290 12.547 1.00 0.00 O ATOM 1350 CB ALA A 92 -12.172 14.762 11.123 1.00 0.00 C ATOM 0 H ALA A 92 -11.123 13.778 8.327 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.316 14.891 10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.802 15.284 12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.665 15.474 10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.884 13.995 11.427 1.00 0.00 H new ATOM 1356 N MET A 93 -9.514 12.233 10.742 1.00 0.00 N ATOM 1357 CA MET A 93 -8.746 11.270 11.522 1.00 0.00 C ATOM 1358 C MET A 93 -7.424 10.944 10.834 1.00 0.00 C ATOM 1359 O MET A 93 -7.303 11.059 9.614 1.00 0.00 O ATOM 1360 CB MET A 93 -9.555 9.988 11.731 1.00 0.00 C ATOM 1361 CG MET A 93 -9.155 9.213 12.976 1.00 0.00 C ATOM 1362 SD MET A 93 -10.524 8.271 13.676 1.00 0.00 S ATOM 1363 CE MET A 93 -10.203 6.648 12.991 1.00 0.00 C ATOM 0 H MET A 93 -9.430 12.120 9.732 1.00 0.00 H new ATOM 0 HA MET A 93 -8.530 11.717 12.493 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.613 10.242 11.796 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.434 9.346 10.859 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.339 8.533 12.730 1.00 0.00 H new ATOM 0 HG3 MET A 93 -8.776 9.908 13.726 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.829 5.911 13.493 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.430 6.652 11.925 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.154 6.392 13.137 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.435 10.539 11.624 1.00 0.00 N ATOM 1374 CA ASP A 94 -5.122 10.196 11.090 1.00 0.00 C ATOM 1375 C ASP A 94 -4.747 8.762 11.450 1.00 0.00 C ATOM 1376 O ASP A 94 -4.815 8.365 12.614 1.00 0.00 O ATOM 1377 CB ASP A 94 -4.063 11.162 11.623 1.00 0.00 C ATOM 1378 CG ASP A 94 -4.256 11.478 13.094 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -4.804 10.621 13.818 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -3.857 12.582 13.520 1.00 0.00 O ATOM 0 H ASP A 94 -6.518 10.440 12.636 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.165 10.280 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.073 10.730 11.474 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.097 12.087 11.048 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.353 7.989 10.444 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.971 6.598 10.654 1.00 0.00 C ATOM 1387 C TYR A 95 -2.863 6.186 9.689 1.00 0.00 C ATOM 1388 O TYR A 95 -2.556 6.902 8.735 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.183 5.682 10.477 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.200 6.207 9.489 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -7.052 7.251 9.828 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.308 5.660 8.216 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.983 7.733 8.929 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.235 6.137 7.310 1.00 0.00 C ATOM 1395 CZ TYR A 95 -8.070 7.173 7.671 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.996 7.652 6.772 1.00 0.00 O ATOM 0 H TYR A 95 -4.290 8.302 9.475 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.596 6.501 11.673 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.841 4.701 10.147 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.667 5.542 11.444 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.985 7.693 10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.656 4.848 7.930 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.639 8.544 9.209 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.305 5.701 6.324 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.504 8.382 7.184 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.265 5.026 9.944 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.192 4.517 9.099 1.00 0.00 C ATOM 1408 C HIS A 96 -1.748 3.622 7.995 1.00 0.00 C ATOM 1409 O HIS A 96 -2.871 3.129 8.090 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.177 3.740 9.939 1.00 0.00 C ATOM 1411 CG HIS A 96 0.310 4.494 11.137 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.471 4.727 12.249 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.509 5.068 11.395 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.225 5.413 13.138 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.430 5.632 12.644 1.00 0.00 N ATOM 0 H HIS A 96 -2.506 4.421 10.729 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.693 5.368 8.636 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.630 2.805 10.268 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.676 3.478 9.313 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.368 5.080 10.740 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.131 5.739 14.104 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.180 6.138 13.114 1.00 0.00 H new ATOM 1424 N ALA A 97 -0.953 3.417 6.949 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.366 2.581 5.829 1.00 0.00 C ATOM 1426 C ALA A 97 -0.181 1.812 5.253 1.00 0.00 C ATOM 1427 O ALA A 97 0.975 2.166 5.485 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.021 3.430 4.750 1.00 0.00 C ATOM 0 H ALA A 97 -0.020 3.818 6.855 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.093 1.856 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.324 2.792 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.897 3.930 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.311 4.177 4.394 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.476 0.757 4.501 1.00 0.00 N ATOM 1435 CA LYS A 98 0.563 -0.063 3.891 1.00 0.00 C ATOM 1436 C LYS A 98 0.053 -0.729 2.617 1.00 0.00 C ATOM 1437 O LYS A 98 -1.144 -0.710 2.331 1.00 0.00 O ATOM 1438 CB LYS A 98 1.047 -1.128 4.878 1.00 0.00 C ATOM 1439 CG LYS A 98 1.123 -0.637 6.313 1.00 0.00 C ATOM 1440 CD LYS A 98 1.747 -1.679 7.226 1.00 0.00 C ATOM 1441 CE LYS A 98 2.139 -1.081 8.568 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.355 -2.131 9.602 1.00 0.00 N ATOM 0 H LYS A 98 -1.428 0.450 4.299 1.00 0.00 H new ATOM 0 HA LYS A 98 1.398 0.588 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.376 -1.986 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.033 -1.476 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.709 0.281 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.122 -0.393 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.043 -2.496 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.628 -2.105 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.050 -0.493 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.359 -0.397 8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.621 -1.683 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.479 -2.676 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.117 -2.769 9.295 1.00 0.00 H new ATOM 1456 N VAL A 99 0.969 -1.320 1.856 1.00 0.00 N ATOM 1457 CA VAL A 99 0.611 -1.994 0.614 1.00 0.00 C ATOM 1458 C VAL A 99 1.299 -3.351 0.507 1.00 0.00 C ATOM 1459 O VAL A 99 2.527 -3.437 0.522 1.00 0.00 O ATOM 1460 CB VAL A 99 0.984 -1.144 -0.615 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.466 -1.280 -0.929 1.00 0.00 C ATOM 1462 CG2 VAL A 99 0.138 -1.541 -1.815 1.00 0.00 C ATOM 0 H VAL A 99 1.964 -1.345 2.078 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.469 -2.137 0.633 1.00 0.00 H new ATOM 0 HB VAL A 99 0.780 -0.098 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.711 -0.672 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.052 -0.941 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.699 -2.324 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.415 -0.930 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.307 -2.592 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.916 -1.386 -1.585 1.00 0.00 H new ATOM 1472 N GLN A 100 0.500 -4.407 0.399 1.00 0.00 N ATOM 1473 CA GLN A 100 1.033 -5.760 0.290 1.00 0.00 C ATOM 1474 C GLN A 100 0.771 -6.338 -1.097 1.00 0.00 C ATOM 1475 O GLN A 100 -0.376 -6.436 -1.532 1.00 0.00 O ATOM 1476 CB GLN A 100 0.412 -6.662 1.358 1.00 0.00 C ATOM 1477 CG GLN A 100 1.027 -8.052 1.412 1.00 0.00 C ATOM 1478 CD GLN A 100 0.219 -9.015 2.259 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.993 -8.858 2.413 1.00 0.00 O ATOM 1480 NE2 GLN A 100 0.887 -10.019 2.814 1.00 0.00 N ATOM 0 H GLN A 100 -0.518 -4.352 0.385 1.00 0.00 H new ATOM 0 HA GLN A 100 2.111 -5.713 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.523 -6.187 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.657 -6.754 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.112 -8.447 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.038 -7.982 1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.891 -10.111 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.396 -10.699 3.395 1.00 0.00 H new ATOM 1489 N ALA A 101 1.842 -6.719 -1.785 1.00 0.00 N ATOM 1490 CA ALA A 101 1.727 -7.289 -3.122 1.00 0.00 C ATOM 1491 C ALA A 101 1.528 -8.799 -3.060 1.00 0.00 C ATOM 1492 O ALA A 101 2.089 -9.473 -2.197 1.00 0.00 O ATOM 1493 CB ALA A 101 2.960 -6.951 -3.947 1.00 0.00 C ATOM 0 H ALA A 101 2.799 -6.643 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 101 0.851 -6.853 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.861 -7.383 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.058 -5.868 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.846 -7.359 -3.461 1.00 0.00 H new ATOM 1499 N GLU A 102 0.724 -9.324 -3.979 1.00 0.00 N ATOM 1500 CA GLU A 102 0.450 -10.756 -4.026 1.00 0.00 C ATOM 1501 C GLU A 102 0.336 -11.241 -5.469 1.00 0.00 C ATOM 1502 O GLU A 102 -0.314 -10.605 -6.299 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.838 -11.076 -3.265 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.323 -12.503 -3.462 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.808 -12.656 -3.201 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.557 -11.689 -3.455 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -3.222 -13.741 -2.744 1.00 0.00 O ATOM 0 H GLU A 102 0.251 -8.780 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 102 1.282 -11.275 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.675 -10.900 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.620 -10.388 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.103 -12.820 -4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.771 -13.166 -2.796 1.00 0.00 H new ATOM 1514 N TYR A 103 0.972 -12.370 -5.759 1.00 0.00 N ATOM 1515 CA TYR A 103 0.945 -12.939 -7.101 1.00 0.00 C ATOM 1516 C TYR A 103 1.057 -14.460 -7.050 1.00 0.00 C ATOM 1517 O TYR A 103 2.015 -15.005 -6.502 1.00 0.00 O ATOM 1518 CB TYR A 103 2.081 -12.361 -7.946 1.00 0.00 C ATOM 1519 CG TYR A 103 1.807 -12.394 -9.433 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.661 -13.601 -10.106 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.693 -11.218 -10.164 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.412 -13.636 -11.464 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.442 -11.243 -11.523 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.303 -12.454 -12.168 1.00 0.00 C ATOM 1525 OH TYR A 103 1.053 -12.485 -13.521 1.00 0.00 O ATOM 0 H TYR A 103 1.513 -12.909 -5.083 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.009 -12.678 -7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.261 -11.330 -7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.995 -12.918 -7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.744 -14.528 -9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.802 -10.268 -9.662 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.303 -14.583 -11.972 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.355 -10.320 -12.076 1.00 0.00 H new ATOM 0 HH TYR A 103 1.004 -11.569 -13.866 1.00 0.00 H new ATOM 1535 N ASN A 104 0.071 -15.139 -7.626 1.00 0.00 N ATOM 1536 CA ASN A 104 0.058 -16.598 -7.647 1.00 0.00 C ATOM 1537 C ASN A 104 -0.235 -17.159 -6.259 1.00 0.00 C ATOM 1538 O ASN A 104 0.284 -18.209 -5.881 1.00 0.00 O ATOM 1539 CB ASN A 104 1.399 -17.133 -8.153 1.00 0.00 C ATOM 1540 CG ASN A 104 1.265 -18.488 -8.821 1.00 0.00 C ATOM 1541 OD1 ASN A 104 0.274 -19.193 -8.628 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.266 -18.859 -9.611 1.00 0.00 N ATOM 0 H ASN A 104 -0.729 -14.703 -8.084 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.733 -16.920 -8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.827 -16.423 -8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.095 -17.210 -7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.233 -19.761 -10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.068 -18.242 -9.742 1.00 0.00 H new ATOM 1549 N SER A 105 -1.072 -16.453 -5.506 1.00 0.00 N ATOM 1550 CA SER A 105 -1.433 -16.878 -4.159 1.00 0.00 C ATOM 1551 C SER A 105 -0.232 -16.791 -3.222 1.00 0.00 C ATOM 1552 O SER A 105 -0.146 -17.523 -2.235 1.00 0.00 O ATOM 1553 CB SER A 105 -1.974 -18.309 -4.181 1.00 0.00 C ATOM 1554 OG SER A 105 -2.979 -18.459 -5.169 1.00 0.00 O ATOM 0 H SER A 105 -1.513 -15.584 -5.806 1.00 0.00 H new ATOM 0 HA SER A 105 -2.210 -16.209 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.159 -19.006 -4.378 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.381 -18.562 -3.202 1.00 0.00 H new ATOM 0 HG SER A 105 -3.307 -19.382 -5.164 1.00 0.00 H new ATOM 1560 N ILE A 106 0.694 -15.892 -3.538 1.00 0.00 N ATOM 1561 CA ILE A 106 1.889 -15.708 -2.725 1.00 0.00 C ATOM 1562 C ILE A 106 1.896 -14.336 -2.060 1.00 0.00 C ATOM 1563 O ILE A 106 2.137 -13.319 -2.711 1.00 0.00 O ATOM 1564 CB ILE A 106 3.171 -15.865 -3.565 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.208 -17.244 -4.226 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.402 -15.655 -2.696 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.404 -17.450 -5.129 1.00 0.00 C ATOM 0 H ILE A 106 0.639 -15.280 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 106 1.870 -16.481 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 106 3.170 -15.107 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.213 -18.010 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.296 -17.384 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.300 -15.769 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.378 -14.653 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.411 -16.392 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.364 -18.449 -5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.390 -16.707 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.321 -17.342 -4.549 1.00 0.00 H new ATOM 1579 N LYS A 107 1.632 -14.314 -0.758 1.00 0.00 N ATOM 1580 CA LYS A 107 1.610 -13.068 -0.002 1.00 0.00 C ATOM 1581 C LYS A 107 2.945 -12.832 0.698 1.00 0.00 C ATOM 1582 O LYS A 107 3.445 -13.702 1.410 1.00 0.00 O ATOM 1583 CB LYS A 107 0.479 -13.093 1.029 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.901 -13.252 0.415 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.984 -13.290 1.480 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.366 -13.094 0.876 1.00 0.00 C ATOM 1587 NZ LYS A 107 -4.398 -12.845 1.921 1.00 0.00 N ATOM 0 H LYS A 107 1.430 -15.146 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 107 1.438 -12.251 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.653 -13.912 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.506 -12.170 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.092 -12.427 -0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.935 -14.169 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.947 -14.245 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.796 -12.512 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.343 -12.255 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.639 -13.978 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.326 -12.717 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.438 -13.657 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.151 -11.987 2.455 1.00 0.00 H new ATOM 1601 N GLY A 108 3.516 -11.650 0.490 1.00 0.00 N ATOM 1602 CA GLY A 108 4.787 -11.321 1.108 1.00 0.00 C ATOM 1603 C GLY A 108 4.627 -10.437 2.329 1.00 0.00 C ATOM 1604 O GLY A 108 3.586 -10.457 2.988 1.00 0.00 O ATOM 0 H GLY A 108 3.121 -10.914 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.297 -12.241 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.422 -10.817 0.379 1.00 0.00 H new ATOM 1608 N THR A 109 5.660 -9.658 2.634 1.00 0.00 N ATOM 1609 CA THR A 109 5.630 -8.764 3.785 1.00 0.00 C ATOM 1610 C THR A 109 5.186 -7.363 3.381 1.00 0.00 C ATOM 1611 O THR A 109 5.585 -6.834 2.344 1.00 0.00 O ATOM 1612 CB THR A 109 7.010 -8.678 4.465 1.00 0.00 C ATOM 1613 OG1 THR A 109 7.405 -9.971 4.936 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.980 -7.697 5.627 1.00 0.00 C ATOM 0 H THR A 109 6.528 -9.628 2.100 1.00 0.00 H new ATOM 0 HA THR A 109 4.911 -9.180 4.491 1.00 0.00 H new ATOM 0 HB THR A 109 7.732 -8.324 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.284 -9.908 5.365 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.965 -7.653 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.707 -6.707 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.246 -8.027 6.363 1.00 0.00 H new ATOM 1622 N PRO A 110 4.342 -6.744 4.220 1.00 0.00 N ATOM 1623 CA PRO A 110 3.826 -5.395 3.972 1.00 0.00 C ATOM 1624 C PRO A 110 4.906 -4.327 4.116 1.00 0.00 C ATOM 1625 O PRO A 110 5.750 -4.400 5.009 1.00 0.00 O ATOM 1626 CB PRO A 110 2.755 -5.220 5.051 1.00 0.00 C ATOM 1627 CG PRO A 110 3.167 -6.142 6.147 1.00 0.00 C ATOM 1628 CD PRO A 110 3.825 -7.315 5.475 1.00 0.00 C ATOM 0 HA PRO A 110 3.448 -5.284 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.708 -4.188 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.765 -5.474 4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.855 -5.649 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 110 2.305 -6.461 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.625 -7.731 6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 110 3.115 -8.121 5.287 1.00 0.00 H new ATOM 1636 N SER A 111 4.872 -3.335 3.231 1.00 0.00 N ATOM 1637 CA SER A 111 5.850 -2.254 3.258 1.00 0.00 C ATOM 1638 C SER A 111 5.701 -1.418 4.526 1.00 0.00 C ATOM 1639 O SER A 111 4.892 -1.733 5.397 1.00 0.00 O ATOM 1640 CB SER A 111 5.689 -1.363 2.024 1.00 0.00 C ATOM 1641 OG SER A 111 4.332 -1.007 1.825 1.00 0.00 O ATOM 0 H SER A 111 4.178 -3.258 2.487 1.00 0.00 H new ATOM 0 HA SER A 111 6.846 -2.697 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.291 -0.462 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.064 -1.885 1.144 1.00 0.00 H new ATOM 0 HG SER A 111 4.049 -0.388 2.530 1.00 0.00 H new ATOM 1647 N GLU A 112 6.489 -0.352 4.620 1.00 0.00 N ATOM 1648 CA GLU A 112 6.446 0.529 5.781 1.00 0.00 C ATOM 1649 C GLU A 112 5.041 1.086 5.990 1.00 0.00 C ATOM 1650 O GLU A 112 4.144 0.855 5.180 1.00 0.00 O ATOM 1651 CB GLU A 112 7.444 1.677 5.616 1.00 0.00 C ATOM 1652 CG GLU A 112 8.842 1.345 6.109 1.00 0.00 C ATOM 1653 CD GLU A 112 8.963 1.428 7.618 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.069 2.556 8.144 1.00 0.00 O ATOM 1655 OE2 GLU A 112 8.951 0.365 8.273 1.00 0.00 O ATOM 0 H GLU A 112 7.164 -0.078 3.907 1.00 0.00 H new ATOM 0 HA GLU A 112 6.720 -0.056 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.496 1.954 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.075 2.548 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.110 0.340 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.556 2.030 5.653 1.00 0.00 H new ATOM 1662 N ALA A 113 4.859 1.822 7.081 1.00 0.00 N ATOM 1663 CA ALA A 113 3.565 2.414 7.396 1.00 0.00 C ATOM 1664 C ALA A 113 3.541 3.898 7.048 1.00 0.00 C ATOM 1665 O ALA A 113 4.397 4.662 7.493 1.00 0.00 O ATOM 1666 CB ALA A 113 3.234 2.209 8.867 1.00 0.00 C ATOM 0 H ALA A 113 5.592 2.023 7.762 1.00 0.00 H new ATOM 0 HA ALA A 113 2.808 1.914 6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.265 2.656 9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.200 1.142 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.000 2.682 9.482 1.00 0.00 H new ATOM 1672 N GLU A 114 2.556 4.299 6.250 1.00 0.00 N ATOM 1673 CA GLU A 114 2.423 5.692 5.842 1.00 0.00 C ATOM 1674 C GLU A 114 1.195 6.332 6.484 1.00 0.00 C ATOM 1675 O GLU A 114 0.064 5.915 6.235 1.00 0.00 O ATOM 1676 CB GLU A 114 2.328 5.794 4.319 1.00 0.00 C ATOM 1677 CG GLU A 114 2.024 7.197 3.820 1.00 0.00 C ATOM 1678 CD GLU A 114 0.540 7.508 3.822 1.00 0.00 C ATOM 1679 OE1 GLU A 114 -0.136 7.186 2.822 1.00 0.00 O ATOM 1680 OE2 GLU A 114 0.054 8.073 4.824 1.00 0.00 O ATOM 0 H GLU A 114 1.839 3.679 5.874 1.00 0.00 H new ATOM 0 HA GLU A 114 3.309 6.229 6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.268 5.458 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.551 5.116 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.544 7.922 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.414 7.311 2.809 1.00 0.00 H new ATOM 1687 N ILE A 115 1.427 7.346 7.310 1.00 0.00 N ATOM 1688 CA ILE A 115 0.341 8.044 7.987 1.00 0.00 C ATOM 1689 C ILE A 115 -0.181 9.200 7.140 1.00 0.00 C ATOM 1690 O ILE A 115 0.593 9.921 6.510 1.00 0.00 O ATOM 1691 CB ILE A 115 0.788 8.587 9.357 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.372 9.306 10.048 1.00 0.00 C ATOM 1693 CG2 ILE A 115 1.977 9.522 9.195 1.00 0.00 C ATOM 1694 CD1 ILE A 115 -0.163 9.504 11.533 1.00 0.00 C ATOM 0 H ILE A 115 2.358 7.703 7.527 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.457 7.317 8.137 1.00 0.00 H new ATOM 0 HB ILE A 115 1.094 7.748 9.981 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.518 10.278 9.577 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.287 8.735 9.891 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.281 9.897 10.172 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.807 8.980 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.697 10.359 8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.025 10.020 11.956 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.047 8.534 12.017 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.734 10.101 11.698 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.499 9.372 7.132 1.00 0.00 N ATOM 1707 CA PHE A 116 -2.125 10.442 6.364 1.00 0.00 C ATOM 1708 C PHE A 116 -3.413 10.911 7.035 1.00 0.00 C ATOM 1709 O PHE A 116 -4.287 10.106 7.360 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.422 9.969 4.940 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.459 8.885 4.871 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -3.095 7.552 4.973 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -4.799 9.200 4.705 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -4.048 6.552 4.911 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -5.755 8.204 4.643 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.379 6.879 4.745 1.00 0.00 C ATOM 0 H PHE A 116 -2.154 8.785 7.648 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.431 11.281 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.757 10.819 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.499 9.607 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.055 7.291 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -5.099 10.234 4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.752 5.517 4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.796 8.462 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 116 -6.125 6.100 4.695 1.00 0.00 H new ATOM 1726 N THR A 117 -3.524 12.220 7.241 1.00 0.00 N ATOM 1727 CA THR A 117 -4.703 12.797 7.874 1.00 0.00 C ATOM 1728 C THR A 117 -5.757 13.169 6.838 1.00 0.00 C ATOM 1729 O THR A 117 -5.457 13.822 5.838 1.00 0.00 O ATOM 1730 CB THR A 117 -4.343 14.049 8.696 1.00 0.00 C ATOM 1731 OG1 THR A 117 -3.244 13.763 9.569 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.536 14.522 9.512 1.00 0.00 C ATOM 0 H THR A 117 -2.811 12.900 6.978 1.00 0.00 H new ATOM 0 HA THR A 117 -5.107 12.036 8.542 1.00 0.00 H new ATOM 0 HB THR A 117 -4.059 14.842 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.020 14.564 10.087 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.258 15.407 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.361 14.767 8.843 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.846 13.731 10.195 1.00 0.00 H new ATOM 1740 N THR A 118 -6.994 12.749 7.082 1.00 0.00 N ATOM 1741 CA THR A 118 -8.094 13.038 6.170 1.00 0.00 C ATOM 1742 C THR A 118 -8.855 14.286 6.604 1.00 0.00 C ATOM 1743 O THR A 118 -8.787 14.695 7.764 1.00 0.00 O ATOM 1744 CB THR A 118 -9.077 11.856 6.082 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.576 11.536 7.386 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.400 10.634 5.479 1.00 0.00 C ATOM 0 H THR A 118 -7.260 12.207 7.904 1.00 0.00 H new ATOM 0 HA THR A 118 -7.653 13.208 5.188 1.00 0.00 H new ATOM 0 HB THR A 118 -9.906 12.148 5.438 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.023 10.664 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.113 9.812 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.046 10.872 4.476 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.555 10.342 6.102 1.00 0.00 H new ATOM 1754 N LEU A 119 -9.579 14.887 5.667 1.00 0.00 N ATOM 1755 CA LEU A 119 -10.355 16.089 5.953 1.00 0.00 C ATOM 1756 C LEU A 119 -11.750 15.730 6.456 1.00 0.00 C ATOM 1757 O LEU A 119 -12.141 14.563 6.452 1.00 0.00 O ATOM 1758 CB LEU A 119 -10.462 16.961 4.700 1.00 0.00 C ATOM 1759 CG LEU A 119 -10.434 16.220 3.363 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -11.242 16.975 2.318 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -9.000 16.024 2.891 1.00 0.00 C ATOM 0 H LEU A 119 -9.645 14.562 4.702 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.839 16.647 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -11.389 17.532 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.643 17.680 4.711 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.886 15.238 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.211 16.433 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.276 17.064 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.819 17.970 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.000 15.495 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.522 16.996 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.450 15.441 3.630 1.00 0.00 H new ATOM 1773 N SER A 120 -12.496 16.741 6.888 1.00 0.00 N ATOM 1774 CA SER A 120 -13.846 16.533 7.396 1.00 0.00 C ATOM 1775 C SER A 120 -14.880 16.743 6.294 1.00 0.00 C ATOM 1776 O SER A 120 -14.656 17.508 5.355 1.00 0.00 O ATOM 1777 CB SER A 120 -14.127 17.482 8.563 1.00 0.00 C ATOM 1778 OG SER A 120 -14.569 18.745 8.097 1.00 0.00 O ATOM 0 H SER A 120 -12.188 17.713 6.896 1.00 0.00 H new ATOM 0 HA SER A 120 -13.920 15.504 7.748 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.883 17.047 9.216 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.224 17.607 9.160 1.00 0.00 H new ATOM 0 HG SER A 120 -14.743 19.333 8.861 1.00 0.00 H new ATOM 1784 N CYS A 121 -16.013 16.059 6.416 1.00 0.00 N ATOM 1785 CA CYS A 121 -17.082 16.170 5.430 1.00 0.00 C ATOM 1786 C CYS A 121 -17.220 17.606 4.936 1.00 0.00 C ATOM 1787 O CYS A 121 -17.620 17.844 3.797 1.00 0.00 O ATOM 1788 CB CYS A 121 -18.407 15.694 6.029 1.00 0.00 C ATOM 1789 SG CYS A 121 -19.032 16.741 7.364 1.00 0.00 S ATOM 0 H CYS A 121 -16.215 15.423 7.187 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.827 15.537 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -19.155 15.647 5.238 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -18.279 14.680 6.407 1.00 0.00 H new ATOM 0 HG CYS A 121 -20.156 16.259 7.804 1.00 0.00 H new