USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 570 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 37 THR OG1 : rot -39:sc= 0.215 USER MOD Set 1.2: A 77 SER OG : rot -160:sc= 0 USER MOD Single : A 15 MET CE :methyl -178:sc= 0 (180deg=-0.0069) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0315 X(o=-0.032,f=-0.3) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.529 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0111) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -85:sc= 1.15 USER MOD Single : A 70 GLN : amide:sc=-0.00722 X(o=-0.0072,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -66:sc= 0.895 USER MOD Single : A 84 MET CE :methyl 168:sc=-0.000792 (180deg=-0.31) USER MOD Single : A 87 TYR OH : rot 164:sc= -1.78 USER MOD Single : A 90 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -1.823 9.244 10.941 1.00 0.00 N ATOM 2 CA MET A 15 -1.209 9.122 9.627 1.00 0.00 C ATOM 3 C MET A 15 -1.374 7.746 9.022 1.00 0.00 C ATOM 4 O MET A 15 -0.979 7.597 7.878 1.00 0.00 O ATOM 5 CB MET A 15 0.304 9.458 9.718 1.00 0.00 C ATOM 6 CG MET A 15 0.574 10.978 9.564 1.00 0.00 C ATOM 7 SD MET A 15 2.333 11.288 9.183 1.00 0.00 S ATOM 8 CE MET A 15 3.179 10.655 10.663 1.00 0.00 C ATOM 0 HA MET A 15 -1.723 9.829 8.976 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.694 9.116 10.677 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.843 8.914 8.942 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.052 11.385 8.770 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.299 11.496 10.483 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.252 10.820 10.567 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.809 11.178 11.545 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.984 9.588 10.765 1.00 0.00 H new ATOM 18 N ALA A 16 -1.955 6.730 9.700 1.00 0.00 N ATOM 19 CA ALA A 16 -2.205 5.478 8.991 1.00 0.00 C ATOM 20 C ALA A 16 -2.941 5.721 7.678 1.00 0.00 C ATOM 21 O ALA A 16 -2.519 5.120 6.702 1.00 0.00 O ATOM 22 CB ALA A 16 -2.878 4.419 9.901 1.00 0.00 C ATOM 0 H ALA A 16 -2.241 6.755 10.679 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.242 5.047 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.045 3.504 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.230 4.205 10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.833 4.802 10.261 1.00 0.00 H new ATOM 28 N PRO A 17 -3.999 6.571 7.551 1.00 0.00 N ATOM 29 CA PRO A 17 -4.594 6.822 6.241 1.00 0.00 C ATOM 30 C PRO A 17 -3.730 7.710 5.371 1.00 0.00 C ATOM 31 O PRO A 17 -3.761 7.554 4.161 1.00 0.00 O ATOM 32 CB PRO A 17 -5.924 7.528 6.599 1.00 0.00 C ATOM 33 CG PRO A 17 -5.713 8.079 8.033 1.00 0.00 C ATOM 34 CD PRO A 17 -4.603 7.235 8.692 1.00 0.00 C ATOM 0 HA PRO A 17 -4.719 5.908 5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.146 8.331 5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.762 6.832 6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.428 9.131 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.637 8.015 8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.885 7.855 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.007 6.522 9.410 1.00 0.00 H new ATOM 42 N ALA A 18 -2.939 8.645 5.940 1.00 0.00 N ATOM 43 CA ALA A 18 -1.984 9.367 5.100 1.00 0.00 C ATOM 44 C ALA A 18 -1.000 8.376 4.517 1.00 0.00 C ATOM 45 O ALA A 18 -0.508 8.615 3.425 1.00 0.00 O ATOM 46 CB ALA A 18 -1.169 10.411 5.902 1.00 0.00 C ATOM 0 H ALA A 18 -2.944 8.903 6.927 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.555 9.884 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.474 10.921 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.848 11.140 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.611 9.908 6.692 1.00 0.00 H new ATOM 52 N LEU A 19 -0.697 7.267 5.235 1.00 0.00 N ATOM 53 CA LEU A 19 0.282 6.316 4.726 1.00 0.00 C ATOM 54 C LEU A 19 -0.336 5.733 3.471 1.00 0.00 C ATOM 55 O LEU A 19 0.200 6.040 2.420 1.00 0.00 O ATOM 56 CB LEU A 19 0.697 5.236 5.767 1.00 0.00 C ATOM 57 CG LEU A 19 2.187 4.773 5.755 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.633 4.330 4.342 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.171 5.819 6.346 1.00 0.00 C ATOM 0 H LEU A 19 -1.108 7.027 6.137 1.00 0.00 H new ATOM 0 HA LEU A 19 1.228 6.811 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.470 5.620 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.069 4.359 5.613 1.00 0.00 H new ATOM 0 HG LEU A 19 2.229 3.909 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.676 4.014 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.012 3.499 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.526 5.164 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.187 5.427 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.113 6.741 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.904 6.025 7.383 1.00 0.00 H new ATOM 71 N VAL A 20 -1.450 4.948 3.525 1.00 0.00 N ATOM 72 CA VAL A 20 -1.995 4.352 2.297 1.00 0.00 C ATOM 73 C VAL A 20 -2.014 5.369 1.175 1.00 0.00 C ATOM 74 O VAL A 20 -1.750 5.014 0.035 1.00 0.00 O ATOM 75 CB VAL A 20 -3.404 3.693 2.447 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.503 4.726 2.793 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.837 2.923 1.167 1.00 0.00 C ATOM 0 H VAL A 20 -1.963 4.726 4.378 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.316 3.533 2.059 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.301 2.988 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.463 4.218 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.258 5.216 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.563 5.473 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.822 2.484 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.876 3.612 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.117 2.133 0.957 1.00 0.00 H new ATOM 87 N ALA A 21 -2.318 6.650 1.497 1.00 0.00 N ATOM 88 CA ALA A 21 -2.331 7.662 0.449 1.00 0.00 C ATOM 89 C ALA A 21 -0.945 7.839 -0.137 1.00 0.00 C ATOM 90 O ALA A 21 -0.824 7.976 -1.345 1.00 0.00 O ATOM 91 CB ALA A 21 -2.855 9.033 0.943 1.00 0.00 C ATOM 0 H ALA A 21 -2.546 6.983 2.434 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.018 7.301 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.841 9.746 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.875 8.922 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.217 9.397 1.749 1.00 0.00 H new ATOM 97 N ALA A 22 0.108 7.835 0.715 1.00 0.00 N ATOM 98 CA ALA A 22 1.480 8.006 0.235 1.00 0.00 C ATOM 99 C ALA A 22 1.820 7.202 -1.002 1.00 0.00 C ATOM 100 O ALA A 22 2.685 7.682 -1.712 1.00 0.00 O ATOM 101 CB ALA A 22 2.519 7.637 1.328 1.00 0.00 C ATOM 0 H ALA A 22 0.025 7.716 1.725 1.00 0.00 H new ATOM 0 HA ALA A 22 1.532 9.064 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.526 7.777 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.377 8.279 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.385 6.596 1.621 1.00 0.00 H new ATOM 107 N PHE A 23 1.204 6.025 -1.283 1.00 0.00 N ATOM 108 CA PHE A 23 1.531 5.250 -2.496 1.00 0.00 C ATOM 109 C PHE A 23 0.261 4.887 -3.238 1.00 0.00 C ATOM 110 O PHE A 23 0.139 5.250 -4.399 1.00 0.00 O ATOM 111 CB PHE A 23 2.328 3.977 -2.115 1.00 0.00 C ATOM 112 CG PHE A 23 3.237 3.301 -3.137 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.307 3.653 -4.491 1.00 0.00 C ATOM 114 CD2 PHE A 23 4.059 2.279 -2.638 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.245 3.025 -5.311 1.00 0.00 C ATOM 116 CE2 PHE A 23 5.041 1.707 -3.451 1.00 0.00 C ATOM 117 CZ PHE A 23 5.167 2.124 -4.778 1.00 0.00 C ATOM 0 H PHE A 23 0.489 5.601 -0.692 1.00 0.00 H new ATOM 0 HA PHE A 23 2.151 5.860 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.945 4.229 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.605 3.231 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.642 4.402 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.932 1.934 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.257 3.239 -6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.699 0.947 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.975 1.750 -5.389 1.00 0.00 H new ATOM 127 N GLY A 24 -0.704 4.186 -2.585 1.00 0.00 N ATOM 128 CA GLY A 24 -1.982 3.919 -3.240 1.00 0.00 C ATOM 129 C GLY A 24 -2.718 5.191 -3.603 1.00 0.00 C ATOM 130 O GLY A 24 -3.531 5.138 -4.514 1.00 0.00 O ATOM 0 H GLY A 24 -0.614 3.813 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.810 3.331 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.607 3.316 -2.581 1.00 0.00 H new ATOM 134 N GLY A 25 -2.456 6.327 -2.908 1.00 0.00 N ATOM 135 CA GLY A 25 -3.098 7.593 -3.272 1.00 0.00 C ATOM 136 C GLY A 25 -2.220 8.462 -4.143 1.00 0.00 C ATOM 137 O GLY A 25 -2.622 9.589 -4.389 1.00 0.00 O ATOM 0 H GLY A 25 -1.819 6.383 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.031 7.385 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.357 8.139 -2.365 1.00 0.00 H new ATOM 141 N LYS A 26 -1.044 7.993 -4.630 1.00 0.00 N ATOM 142 CA LYS A 26 -0.270 8.811 -5.565 1.00 0.00 C ATOM 143 C LYS A 26 -1.094 8.836 -6.828 1.00 0.00 C ATOM 144 O LYS A 26 -0.856 8.007 -7.688 1.00 0.00 O ATOM 145 CB LYS A 26 1.138 8.211 -5.839 1.00 0.00 C ATOM 146 CG LYS A 26 2.072 8.334 -4.605 1.00 0.00 C ATOM 147 CD LYS A 26 2.512 9.793 -4.286 1.00 0.00 C ATOM 148 CE LYS A 26 3.894 9.897 -3.572 1.00 0.00 C ATOM 149 NZ LYS A 26 4.382 11.295 -3.548 1.00 0.00 N ATOM 0 H LYS A 26 -0.633 7.089 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.088 9.807 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.038 7.161 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.591 8.722 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.563 7.921 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.961 7.726 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.551 10.361 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.754 10.261 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.808 9.522 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.619 9.265 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.303 11.333 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.486 11.643 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.700 11.892 -3.038 1.00 0.00 H new ATOM 163 N GLU A 27 -2.077 9.755 -6.973 1.00 0.00 N ATOM 164 CA GLU A 27 -2.942 9.697 -8.156 1.00 0.00 C ATOM 165 C GLU A 27 -2.114 9.649 -9.426 1.00 0.00 C ATOM 166 O GLU A 27 -2.587 9.106 -10.413 1.00 0.00 O ATOM 167 CB GLU A 27 -4.012 10.832 -8.211 1.00 0.00 C ATOM 168 CG GLU A 27 -3.601 12.023 -9.121 1.00 0.00 C ATOM 169 CD GLU A 27 -4.579 13.169 -9.018 1.00 0.00 C ATOM 170 OE1 GLU A 27 -5.809 12.908 -8.925 1.00 0.00 O ATOM 171 OE2 GLU A 27 -4.128 14.346 -9.029 1.00 0.00 O ATOM 0 H GLU A 27 -2.279 10.508 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.510 8.770 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.953 10.417 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.192 11.201 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.606 12.368 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.542 11.687 -10.156 1.00 0.00 H new ATOM 178 N ASN A 28 -0.875 10.203 -9.409 1.00 0.00 N ATOM 179 CA ASN A 28 0.010 10.103 -10.573 1.00 0.00 C ATOM 180 C ASN A 28 0.041 8.707 -11.165 1.00 0.00 C ATOM 181 O ASN A 28 0.285 8.617 -12.357 1.00 0.00 O ATOM 182 CB ASN A 28 1.463 10.507 -10.201 1.00 0.00 C ATOM 183 CG ASN A 28 2.342 10.556 -11.429 1.00 0.00 C ATOM 184 OD1 ASN A 28 3.204 9.705 -11.581 1.00 0.00 O ATOM 185 ND2 ASN A 28 2.136 11.546 -12.326 1.00 0.00 N ATOM 0 H ASN A 28 -0.482 10.710 -8.616 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.397 10.788 -11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.460 11.481 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.871 9.793 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.711 11.601 -13.166 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.405 12.238 -12.162 1.00 0.00 H new ATOM 192 N ILE A 29 -0.207 7.658 -10.339 1.00 0.00 N ATOM 193 CA ILE A 29 -0.448 6.278 -10.786 1.00 0.00 C ATOM 194 C ILE A 29 -0.304 6.013 -12.284 1.00 0.00 C ATOM 195 O ILE A 29 -0.991 6.662 -13.056 1.00 0.00 O ATOM 196 CB ILE A 29 -1.818 5.792 -10.180 1.00 0.00 C ATOM 197 CG1 ILE A 29 -1.659 4.645 -9.119 1.00 0.00 C ATOM 198 CG2 ILE A 29 -2.903 5.489 -11.266 1.00 0.00 C ATOM 199 CD1 ILE A 29 -1.348 5.121 -7.672 1.00 0.00 C ATOM 0 H ILE A 29 -0.244 7.759 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 29 0.368 5.669 -10.397 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.203 6.645 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.577 4.058 -9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.860 3.979 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.821 5.159 -10.781 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.102 6.392 -11.843 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.542 4.705 -11.932 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.257 4.255 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.413 5.681 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.156 5.761 -7.318 1.00 0.00 H new ATOM 211 N THR A 30 0.572 5.063 -12.719 1.00 0.00 N ATOM 212 CA THR A 30 0.856 4.820 -14.139 1.00 0.00 C ATOM 213 C THR A 30 0.634 3.361 -14.538 1.00 0.00 C ATOM 214 O THR A 30 -0.118 3.158 -15.477 1.00 0.00 O ATOM 215 CB THR A 30 2.272 5.376 -14.523 1.00 0.00 C ATOM 216 OG1 THR A 30 2.857 4.691 -15.644 1.00 0.00 O ATOM 217 CG2 THR A 30 3.297 5.380 -13.356 1.00 0.00 C ATOM 0 H THR A 30 1.092 4.454 -12.088 1.00 0.00 H new ATOM 0 HA THR A 30 0.131 5.378 -14.732 1.00 0.00 H new ATOM 0 HB THR A 30 2.067 6.412 -14.794 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.736 5.078 -15.841 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.248 5.779 -13.708 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.921 6.002 -12.544 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.442 4.362 -12.996 1.00 0.00 H new ATOM 225 N ASN A 31 1.243 2.324 -13.900 1.00 0.00 N ATOM 226 CA ASN A 31 1.057 0.939 -14.371 1.00 0.00 C ATOM 227 C ASN A 31 0.979 -0.032 -13.208 1.00 0.00 C ATOM 228 O ASN A 31 2.022 -0.458 -12.743 1.00 0.00 O ATOM 229 CB ASN A 31 2.243 0.593 -15.307 1.00 0.00 C ATOM 230 CG ASN A 31 1.978 -0.713 -16.020 1.00 0.00 C ATOM 231 OD1 ASN A 31 1.421 -0.681 -17.109 1.00 0.00 O ATOM 232 ND2 ASN A 31 2.346 -1.876 -15.442 1.00 0.00 N ATOM 0 H ASN A 31 1.847 2.423 -13.084 1.00 0.00 H new ATOM 0 HA ASN A 31 0.115 0.854 -14.912 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.387 1.391 -16.035 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.164 0.520 -14.728 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.161 -2.761 -15.914 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.809 -1.870 -14.533 1.00 0.00 H new ATOM 239 N LEU A 32 -0.221 -0.406 -12.700 1.00 0.00 N ATOM 240 CA LEU A 32 -0.305 -1.076 -11.401 1.00 0.00 C ATOM 241 C LEU A 32 -1.076 -2.364 -11.611 1.00 0.00 C ATOM 242 O LEU A 32 -1.321 -2.692 -12.761 1.00 0.00 O ATOM 243 CB LEU A 32 -1.021 -0.137 -10.384 1.00 0.00 C ATOM 244 CG LEU A 32 -0.704 1.394 -10.404 1.00 0.00 C ATOM 245 CD1 LEU A 32 0.798 1.782 -10.331 1.00 0.00 C ATOM 246 CD2 LEU A 32 -1.394 2.144 -11.580 1.00 0.00 C ATOM 0 H LEU A 32 -1.117 -0.255 -13.164 1.00 0.00 H new ATOM 0 HA LEU A 32 0.681 -1.304 -10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.095 -0.251 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.796 -0.505 -9.383 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.138 1.729 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.895 2.867 -10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.229 1.397 -9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.326 1.354 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.135 3.202 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.056 1.724 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.475 2.032 -11.499 1.00 0.00 H new ATOM 258 N ASP A 33 -1.482 -3.117 -10.558 1.00 0.00 N ATOM 259 CA ASP A 33 -2.297 -4.313 -10.801 1.00 0.00 C ATOM 260 C ASP A 33 -3.030 -4.648 -9.511 1.00 0.00 C ATOM 261 O ASP A 33 -2.459 -5.316 -8.664 1.00 0.00 O ATOM 262 CB ASP A 33 -1.375 -5.465 -11.317 1.00 0.00 C ATOM 263 CG ASP A 33 -1.880 -6.308 -12.459 1.00 0.00 C ATOM 264 OD1 ASP A 33 -2.998 -6.051 -12.982 1.00 0.00 O ATOM 265 OD2 ASP A 33 -1.141 -7.258 -12.844 1.00 0.00 O ATOM 0 H ASP A 33 -1.267 -2.923 -9.580 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.048 -4.152 -11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.425 -5.024 -11.620 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.165 -6.128 -10.478 1.00 0.00 H new ATOM 270 N ALA A 34 -4.285 -4.178 -9.308 1.00 0.00 N ATOM 271 CA ALA A 34 -4.980 -4.465 -8.051 1.00 0.00 C ATOM 272 C ALA A 34 -5.512 -5.881 -8.043 1.00 0.00 C ATOM 273 O ALA A 34 -5.778 -6.399 -9.116 1.00 0.00 O ATOM 274 CB ALA A 34 -6.128 -3.463 -7.760 1.00 0.00 C ATOM 0 H ALA A 34 -4.813 -3.619 -9.978 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.243 -4.352 -7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.608 -3.724 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.722 -2.454 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.862 -3.507 -8.565 1.00 0.00 H new ATOM 280 N CYS A 35 -5.678 -6.524 -6.858 1.00 0.00 N ATOM 281 CA CYS A 35 -6.226 -7.885 -6.826 1.00 0.00 C ATOM 282 C CYS A 35 -6.608 -8.313 -5.412 1.00 0.00 C ATOM 283 O CYS A 35 -6.330 -7.583 -4.474 1.00 0.00 O ATOM 284 CB CYS A 35 -5.226 -8.903 -7.451 1.00 0.00 C ATOM 285 SG CYS A 35 -6.046 -10.076 -8.584 1.00 0.00 S ATOM 0 H CYS A 35 -5.446 -6.130 -5.946 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.136 -7.877 -7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.450 -8.361 -7.992 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.730 -9.458 -6.654 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.163 -10.895 -9.074 1.00 0.00 H new ATOM 291 N ILE A 36 -7.245 -9.503 -5.272 1.00 0.00 N ATOM 292 CA ILE A 36 -7.771 -9.988 -3.988 1.00 0.00 C ATOM 293 C ILE A 36 -6.976 -9.601 -2.743 1.00 0.00 C ATOM 294 O ILE A 36 -7.359 -8.647 -2.083 1.00 0.00 O ATOM 295 CB ILE A 36 -8.242 -11.490 -4.047 1.00 0.00 C ATOM 296 CG1 ILE A 36 -7.159 -12.598 -4.310 1.00 0.00 C ATOM 297 CG2 ILE A 36 -9.425 -11.686 -5.051 1.00 0.00 C ATOM 298 CD1 ILE A 36 -6.078 -12.279 -5.382 1.00 0.00 C ATOM 0 H ILE A 36 -7.404 -10.145 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.681 -9.407 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.552 -11.655 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.652 -12.809 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.673 -13.512 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.722 -12.735 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.271 -11.073 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.108 -11.387 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.392 -13.121 -5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.560 -12.103 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.524 -11.389 -5.086 1.00 0.00 H new ATOM 310 N THR A 37 -5.870 -10.299 -2.389 1.00 0.00 N ATOM 311 CA THR A 37 -5.003 -9.913 -1.274 1.00 0.00 C ATOM 312 C THR A 37 -3.705 -9.434 -1.889 1.00 0.00 C ATOM 313 O THR A 37 -2.673 -9.535 -1.245 1.00 0.00 O ATOM 314 CB THR A 37 -4.809 -11.085 -0.251 1.00 0.00 C ATOM 315 OG1 THR A 37 -3.646 -10.907 0.566 1.00 0.00 O ATOM 316 CG2 THR A 37 -4.680 -12.492 -0.880 1.00 0.00 C ATOM 0 H THR A 37 -5.563 -11.142 -2.874 1.00 0.00 H new ATOM 0 HA THR A 37 -5.450 -9.114 -0.682 1.00 0.00 H new ATOM 0 HB THR A 37 -5.729 -11.040 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.919 -10.534 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.549 -13.233 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.582 -12.721 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.817 -12.515 -1.546 1.00 0.00 H new ATOM 324 N ARG A 38 -3.738 -8.910 -3.139 1.00 0.00 N ATOM 325 CA ARG A 38 -2.510 -8.558 -3.828 1.00 0.00 C ATOM 326 C ARG A 38 -2.760 -7.308 -4.617 1.00 0.00 C ATOM 327 O ARG A 38 -3.625 -7.359 -5.477 1.00 0.00 O ATOM 328 CB ARG A 38 -2.072 -9.711 -4.772 1.00 0.00 C ATOM 329 CG ARG A 38 -1.998 -11.083 -4.051 1.00 0.00 C ATOM 330 CD ARG A 38 -1.436 -12.191 -4.986 1.00 0.00 C ATOM 331 NE ARG A 38 -1.605 -13.528 -4.410 1.00 0.00 N ATOM 332 CZ ARG A 38 -1.389 -14.639 -5.083 1.00 0.00 C ATOM 333 NH1 ARG A 38 -0.930 -14.647 -6.315 1.00 0.00 N ATOM 334 NH2 ARG A 38 -1.643 -15.791 -4.502 1.00 0.00 N ATOM 0 H ARG A 38 -4.592 -8.731 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.710 -8.393 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.773 -9.780 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.096 -9.476 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.366 -10.997 -3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.992 -11.367 -3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.942 -12.144 -5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.378 -12.007 -5.172 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.905 -13.602 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.726 -13.767 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.778 -15.533 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.001 -15.813 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.482 -16.663 -5.006 1.00 0.00 H new ATOM 348 N LEU A 39 -2.023 -6.207 -4.350 1.00 0.00 N ATOM 349 CA LEU A 39 -2.216 -5.004 -5.167 1.00 0.00 C ATOM 350 C LEU A 39 -0.864 -4.376 -5.383 1.00 0.00 C ATOM 351 O LEU A 39 -0.230 -4.088 -4.390 1.00 0.00 O ATOM 352 CB LEU A 39 -3.273 -4.005 -4.609 1.00 0.00 C ATOM 353 CG LEU A 39 -2.984 -3.504 -3.164 1.00 0.00 C ATOM 354 CD1 LEU A 39 -2.414 -2.059 -3.131 1.00 0.00 C ATOM 355 CD2 LEU A 39 -4.265 -3.585 -2.285 1.00 0.00 C ATOM 0 H LEU A 39 -1.324 -6.131 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.650 -5.299 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.328 -3.144 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.252 -4.484 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.220 -4.166 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.232 -1.763 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.478 -2.024 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.132 -1.374 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.039 -3.230 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.046 -2.964 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.608 -4.618 -2.236 1.00 0.00 H new ATOM 367 N ARG A 40 -0.360 -4.199 -6.624 1.00 0.00 N ATOM 368 CA ARG A 40 1.006 -3.730 -6.834 1.00 0.00 C ATOM 369 C ARG A 40 0.977 -2.265 -7.183 1.00 0.00 C ATOM 370 O ARG A 40 -0.119 -1.815 -7.477 1.00 0.00 O ATOM 371 CB ARG A 40 1.785 -4.596 -7.862 1.00 0.00 C ATOM 372 CG ARG A 40 1.030 -5.488 -8.869 1.00 0.00 C ATOM 373 CD ARG A 40 0.525 -6.857 -8.292 1.00 0.00 C ATOM 374 NE ARG A 40 0.851 -7.943 -9.239 1.00 0.00 N ATOM 375 CZ ARG A 40 1.824 -8.839 -9.109 1.00 0.00 C ATOM 376 NH1 ARG A 40 2.660 -8.892 -8.105 1.00 0.00 N ATOM 377 NH2 ARG A 40 1.961 -9.738 -10.061 1.00 0.00 N ATOM 0 H ARG A 40 -0.882 -4.375 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 40 1.567 -3.846 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.414 -3.920 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.452 -5.245 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.173 -4.934 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.685 -5.688 -9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.992 -7.051 -7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.551 -6.818 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 40 0.272 -8.012 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.591 -8.212 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.381 -9.613 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.332 -9.731 -10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.697 -10.442 -9.996 1.00 0.00 H new ATOM 391 N VAL A 41 2.126 -1.530 -7.130 1.00 0.00 N ATOM 392 CA VAL A 41 2.073 -0.095 -7.390 1.00 0.00 C ATOM 393 C VAL A 41 3.328 0.433 -8.090 1.00 0.00 C ATOM 394 O VAL A 41 4.113 1.103 -7.443 1.00 0.00 O ATOM 395 CB VAL A 41 1.756 0.724 -6.094 1.00 0.00 C ATOM 396 CG1 VAL A 41 1.179 2.130 -6.441 1.00 0.00 C ATOM 397 CG2 VAL A 41 0.758 0.028 -5.130 1.00 0.00 C ATOM 0 H VAL A 41 3.051 -1.903 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 41 1.246 0.051 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 41 2.716 0.806 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.969 2.674 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.906 2.686 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.258 2.014 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.593 0.661 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.189 -0.137 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.169 -0.930 -4.810 1.00 0.00 H new ATOM 407 N SER A 42 3.580 0.175 -9.399 1.00 0.00 N ATOM 408 CA SER A 42 4.755 0.741 -10.088 1.00 0.00 C ATOM 409 C SER A 42 4.591 2.214 -10.412 1.00 0.00 C ATOM 410 O SER A 42 3.749 2.495 -11.250 1.00 0.00 O ATOM 411 CB SER A 42 5.066 -0.026 -11.415 1.00 0.00 C ATOM 412 OG SER A 42 6.116 0.564 -12.203 1.00 0.00 O ATOM 0 H SER A 42 2.990 -0.414 -9.987 1.00 0.00 H new ATOM 0 HA SER A 42 5.584 0.627 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.341 -1.052 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.158 -0.073 -12.016 1.00 0.00 H new ATOM 0 HG SER A 42 6.255 0.031 -13.014 1.00 0.00 H new ATOM 418 N VAL A 43 5.376 3.151 -9.804 1.00 0.00 N ATOM 419 CA VAL A 43 5.292 4.572 -10.172 1.00 0.00 C ATOM 420 C VAL A 43 6.633 5.268 -10.103 1.00 0.00 C ATOM 421 O VAL A 43 7.531 4.747 -9.460 1.00 0.00 O ATOM 422 CB VAL A 43 4.322 5.377 -9.258 1.00 0.00 C ATOM 423 CG1 VAL A 43 2.952 4.653 -9.190 1.00 0.00 C ATOM 424 CG2 VAL A 43 4.934 5.612 -7.844 1.00 0.00 C ATOM 0 H VAL A 43 6.056 2.941 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 43 4.920 4.560 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 43 4.165 6.365 -9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.274 5.217 -8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.529 4.580 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.089 3.652 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.230 6.177 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.136 4.651 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.864 6.173 -7.939 1.00 0.00 H new ATOM 434 N ALA A 44 6.759 6.454 -10.754 1.00 0.00 N ATOM 435 CA ALA A 44 7.967 7.269 -10.621 1.00 0.00 C ATOM 436 C ALA A 44 7.860 8.228 -9.454 1.00 0.00 C ATOM 437 O ALA A 44 8.905 8.708 -9.045 1.00 0.00 O ATOM 438 CB ALA A 44 8.232 8.069 -11.921 1.00 0.00 C ATOM 0 H ALA A 44 6.044 6.851 -11.364 1.00 0.00 H new ATOM 0 HA ALA A 44 8.799 6.589 -10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.134 8.669 -11.802 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.363 7.378 -12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.385 8.725 -12.124 1.00 0.00 H new ATOM 444 N ASP A 45 6.661 8.535 -8.900 1.00 0.00 N ATOM 445 CA ASP A 45 6.599 9.281 -7.641 1.00 0.00 C ATOM 446 C ASP A 45 7.327 8.501 -6.560 1.00 0.00 C ATOM 447 O ASP A 45 6.672 7.903 -5.718 1.00 0.00 O ATOM 448 CB ASP A 45 5.140 9.566 -7.183 1.00 0.00 C ATOM 449 CG ASP A 45 4.340 10.413 -8.141 1.00 0.00 C ATOM 450 OD1 ASP A 45 4.697 10.450 -9.348 1.00 0.00 O ATOM 451 OD2 ASP A 45 3.342 11.049 -7.697 1.00 0.00 O ATOM 0 H ASP A 45 5.756 8.282 -9.298 1.00 0.00 H new ATOM 0 HA ASP A 45 7.077 10.246 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.625 8.616 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.167 10.063 -6.213 1.00 0.00 H new ATOM 456 N VAL A 46 8.686 8.512 -6.562 1.00 0.00 N ATOM 457 CA VAL A 46 9.451 7.839 -5.512 1.00 0.00 C ATOM 458 C VAL A 46 9.878 8.954 -4.581 1.00 0.00 C ATOM 459 O VAL A 46 11.063 9.193 -4.416 1.00 0.00 O ATOM 460 CB VAL A 46 10.588 6.911 -6.053 1.00 0.00 C ATOM 461 CG1 VAL A 46 11.638 7.614 -6.960 1.00 0.00 C ATOM 462 CG2 VAL A 46 11.301 6.165 -4.888 1.00 0.00 C ATOM 0 H VAL A 46 9.254 8.975 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 46 8.859 7.105 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 46 10.076 6.197 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.383 6.888 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.140 8.037 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.127 8.411 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.087 5.527 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.739 6.892 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.577 5.553 -4.351 1.00 0.00 H new ATOM 472 N SER A 47 8.897 9.669 -3.975 1.00 0.00 N ATOM 473 CA SER A 47 9.201 10.890 -3.226 1.00 0.00 C ATOM 474 C SER A 47 8.529 10.831 -1.873 1.00 0.00 C ATOM 475 O SER A 47 7.346 11.121 -1.795 1.00 0.00 O ATOM 476 CB SER A 47 8.707 12.084 -4.088 1.00 0.00 C ATOM 477 OG SER A 47 9.038 13.359 -3.510 1.00 0.00 O ATOM 0 H SER A 47 7.909 9.418 -3.995 1.00 0.00 H new ATOM 0 HA SER A 47 10.268 11.005 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.147 12.015 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.626 12.015 -4.212 1.00 0.00 H new ATOM 0 HG SER A 47 8.708 14.077 -4.090 1.00 0.00 H new ATOM 483 N LYS A 48 9.265 10.471 -0.791 1.00 0.00 N ATOM 484 CA LYS A 48 8.662 10.395 0.544 1.00 0.00 C ATOM 485 C LYS A 48 7.403 9.566 0.438 1.00 0.00 C ATOM 486 O LYS A 48 6.376 9.902 1.001 1.00 0.00 O ATOM 487 CB LYS A 48 8.404 11.776 1.209 1.00 0.00 C ATOM 488 CG LYS A 48 9.586 12.783 1.090 1.00 0.00 C ATOM 489 CD LYS A 48 9.829 13.265 -0.374 1.00 0.00 C ATOM 490 CE LYS A 48 10.270 14.754 -0.481 1.00 0.00 C ATOM 491 NZ LYS A 48 9.101 15.662 -0.554 1.00 0.00 N ATOM 0 H LYS A 48 10.257 10.235 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 48 9.377 9.919 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.517 12.222 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.181 11.620 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.385 13.647 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.495 12.315 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.593 12.636 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.914 13.125 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.883 15.016 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.892 14.888 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.430 16.646 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.530 15.427 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.521 15.551 0.302 1.00 0.00 H new ATOM 505 N VAL A 49 7.499 8.463 -0.330 1.00 0.00 N ATOM 506 CA VAL A 49 6.369 7.568 -0.551 1.00 0.00 C ATOM 507 C VAL A 49 6.247 6.650 0.650 1.00 0.00 C ATOM 508 O VAL A 49 5.206 6.026 0.773 1.00 0.00 O ATOM 509 CB VAL A 49 6.450 6.885 -1.958 1.00 0.00 C ATOM 510 CG1 VAL A 49 7.875 6.402 -2.350 1.00 0.00 C ATOM 511 CG2 VAL A 49 5.422 5.736 -2.108 1.00 0.00 C ATOM 0 H VAL A 49 8.355 8.178 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 49 5.425 8.109 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 49 6.192 7.675 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.844 5.941 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.556 7.253 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.226 5.673 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.515 5.292 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.613 4.976 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.414 6.131 -1.980 1.00 0.00 H new ATOM 521 N ASP A 50 7.250 6.560 1.564 1.00 0.00 N ATOM 522 CA ASP A 50 7.066 5.771 2.784 1.00 0.00 C ATOM 523 C ASP A 50 6.638 4.382 2.375 1.00 0.00 C ATOM 524 O ASP A 50 5.597 3.909 2.797 1.00 0.00 O ATOM 525 CB ASP A 50 6.135 6.539 3.775 1.00 0.00 C ATOM 526 CG ASP A 50 6.851 6.880 5.061 1.00 0.00 C ATOM 527 OD1 ASP A 50 7.865 7.626 4.988 1.00 0.00 O ATOM 528 OD2 ASP A 50 6.422 6.412 6.149 1.00 0.00 O ATOM 0 H ASP A 50 8.160 7.012 1.474 1.00 0.00 H new ATOM 0 HA ASP A 50 7.984 5.636 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.777 7.454 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.258 5.931 3.997 1.00 0.00 H new ATOM 533 N GLN A 51 7.475 3.729 1.536 1.00 0.00 N ATOM 534 CA GLN A 51 7.173 2.369 1.076 1.00 0.00 C ATOM 535 C GLN A 51 7.490 1.443 2.228 1.00 0.00 C ATOM 536 O GLN A 51 6.718 0.540 2.513 1.00 0.00 O ATOM 537 CB GLN A 51 8.035 1.991 -0.164 1.00 0.00 C ATOM 538 CG GLN A 51 7.813 2.999 -1.321 1.00 0.00 C ATOM 539 CD GLN A 51 8.997 3.090 -2.252 1.00 0.00 C ATOM 540 OE1 GLN A 51 9.852 3.940 -2.055 1.00 0.00 O ATOM 541 NE2 GLN A 51 9.077 2.228 -3.282 1.00 0.00 N ATOM 0 H GLN A 51 8.346 4.118 1.174 1.00 0.00 H new ATOM 0 HA GLN A 51 6.128 2.292 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.089 1.975 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.778 0.986 -0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.931 2.704 -1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.608 3.985 -0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.347 1.529 -3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.868 2.273 -3.925 1.00 0.00 H new ATOM 550 N ALA A 52 8.639 1.688 2.907 1.00 0.00 N ATOM 551 CA ALA A 52 8.971 0.911 4.097 1.00 0.00 C ATOM 552 C ALA A 52 7.861 0.983 5.126 1.00 0.00 C ATOM 553 O ALA A 52 7.741 0.066 5.923 1.00 0.00 O ATOM 554 CB ALA A 52 10.302 1.396 4.725 1.00 0.00 C ATOM 0 H ALA A 52 9.324 2.399 2.650 1.00 0.00 H new ATOM 0 HA ALA A 52 9.088 -0.127 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.525 0.800 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.108 1.285 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.210 2.445 5.008 1.00 0.00 H new ATOM 560 N GLY A 53 7.031 2.053 5.132 1.00 0.00 N ATOM 561 CA GLY A 53 5.822 2.030 5.954 1.00 0.00 C ATOM 562 C GLY A 53 4.712 1.310 5.228 1.00 0.00 C ATOM 563 O GLY A 53 3.999 0.543 5.854 1.00 0.00 O ATOM 0 H GLY A 53 7.177 2.908 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.028 1.534 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.513 3.049 6.188 1.00 0.00 H new ATOM 567 N LEU A 54 4.523 1.563 3.911 1.00 0.00 N ATOM 568 CA LEU A 54 3.329 1.049 3.234 1.00 0.00 C ATOM 569 C LEU A 54 3.360 -0.453 3.090 1.00 0.00 C ATOM 570 O LEU A 54 2.313 -1.008 2.798 1.00 0.00 O ATOM 571 CB LEU A 54 3.044 1.759 1.877 1.00 0.00 C ATOM 572 CG LEU A 54 1.534 1.964 1.508 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.292 3.425 1.044 1.00 0.00 C ATOM 574 CD2 LEU A 54 1.002 0.949 0.454 1.00 0.00 C ATOM 0 H LEU A 54 5.160 2.100 3.323 1.00 0.00 H new ATOM 0 HA LEU A 54 2.489 1.292 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.529 2.735 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.516 1.181 1.082 1.00 0.00 H new ATOM 0 HG LEU A 54 0.963 1.769 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.240 3.557 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.560 4.111 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.906 3.635 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.049 1.154 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.576 1.047 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.106 -0.065 0.841 1.00 0.00 H new ATOM 586 N LYS A 55 4.514 -1.135 3.299 1.00 0.00 N ATOM 587 CA LYS A 55 4.512 -2.595 3.234 1.00 0.00 C ATOM 588 C LYS A 55 3.935 -3.221 4.467 1.00 0.00 C ATOM 589 O LYS A 55 3.173 -4.163 4.357 1.00 0.00 O ATOM 590 CB LYS A 55 5.897 -3.249 2.949 1.00 0.00 C ATOM 591 CG LYS A 55 6.762 -3.764 4.137 1.00 0.00 C ATOM 592 CD LYS A 55 7.586 -2.640 4.816 1.00 0.00 C ATOM 593 CE LYS A 55 9.124 -2.871 4.737 1.00 0.00 C ATOM 594 NZ LYS A 55 9.641 -2.947 3.349 1.00 0.00 N ATOM 0 H LYS A 55 5.417 -0.708 3.505 1.00 0.00 H new ATOM 0 HA LYS A 55 3.876 -2.798 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.728 -4.092 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.495 -2.521 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.112 -4.229 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.440 -4.538 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.344 -1.687 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.290 -2.563 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.632 -2.062 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.372 -3.795 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.680 -2.999 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.260 -3.795 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.347 -2.100 2.822 1.00 0.00 H new ATOM 608 N LYS A 56 4.345 -2.713 5.641 1.00 0.00 N ATOM 609 CA LYS A 56 3.941 -3.315 6.911 1.00 0.00 C ATOM 610 C LYS A 56 2.639 -2.717 7.383 1.00 0.00 C ATOM 611 O LYS A 56 1.800 -3.438 7.901 1.00 0.00 O ATOM 612 CB LYS A 56 5.067 -3.172 7.976 1.00 0.00 C ATOM 613 CG LYS A 56 5.426 -1.706 8.361 1.00 0.00 C ATOM 614 CD LYS A 56 6.723 -1.611 9.207 1.00 0.00 C ATOM 615 CE LYS A 56 6.580 -2.287 10.595 1.00 0.00 C ATOM 616 NZ LYS A 56 7.716 -1.923 11.472 1.00 0.00 N ATOM 0 H LYS A 56 4.949 -1.896 5.732 1.00 0.00 H new ATOM 0 HA LYS A 56 3.779 -4.382 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.764 -3.705 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.965 -3.664 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.545 -1.115 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.599 -1.268 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.543 -2.079 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.988 -0.562 9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.643 -1.981 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.538 -3.370 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.603 -2.385 12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.606 -2.237 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.738 -0.891 11.601 1.00 0.00 H new ATOM 630 N LEU A 57 2.471 -1.387 7.208 1.00 0.00 N ATOM 631 CA LEU A 57 1.263 -0.703 7.661 1.00 0.00 C ATOM 632 C LEU A 57 0.222 -0.679 6.561 1.00 0.00 C ATOM 633 O LEU A 57 -0.956 -0.790 6.863 1.00 0.00 O ATOM 634 CB LEU A 57 1.692 0.716 8.147 1.00 0.00 C ATOM 635 CG LEU A 57 0.588 1.598 8.802 1.00 0.00 C ATOM 636 CD1 LEU A 57 -0.275 2.324 7.731 1.00 0.00 C ATOM 637 CD2 LEU A 57 -0.290 0.809 9.800 1.00 0.00 C ATOM 0 H LEU A 57 3.157 -0.780 6.759 1.00 0.00 H new ATOM 0 HA LEU A 57 0.788 -1.226 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.503 0.598 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.098 1.259 7.294 1.00 0.00 H new ATOM 0 HG LEU A 57 1.106 2.361 9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.035 2.930 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.363 2.966 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.759 1.585 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.042 1.473 10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.783 -0.012 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.336 0.410 10.598 1.00 0.00 H new ATOM 649 N GLY A 58 0.619 -0.525 5.278 1.00 0.00 N ATOM 650 CA GLY A 58 -0.361 -0.433 4.196 1.00 0.00 C ATOM 651 C GLY A 58 -0.742 -1.787 3.664 1.00 0.00 C ATOM 652 O GLY A 58 -1.919 -2.032 3.453 1.00 0.00 O ATOM 0 H GLY A 58 1.593 -0.464 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.253 0.079 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.048 0.172 3.387 1.00 0.00 H new ATOM 656 N ALA A 59 0.270 -2.654 3.429 1.00 0.00 N ATOM 657 CA ALA A 59 0.027 -3.994 2.906 1.00 0.00 C ATOM 658 C ALA A 59 0.689 -4.962 3.859 1.00 0.00 C ATOM 659 O ALA A 59 0.774 -4.612 5.026 1.00 0.00 O ATOM 660 CB ALA A 59 0.544 -3.990 1.442 1.00 0.00 C ATOM 0 H ALA A 59 1.253 -2.440 3.596 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.016 -4.306 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.387 -4.973 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.001 -3.241 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.608 -3.753 1.433 1.00 0.00 H new ATOM 666 N ALA A 60 1.172 -6.148 3.425 1.00 0.00 N ATOM 667 CA ALA A 60 1.896 -7.042 4.338 1.00 0.00 C ATOM 668 C ALA A 60 2.789 -7.940 3.514 1.00 0.00 C ATOM 669 O ALA A 60 2.659 -9.152 3.578 1.00 0.00 O ATOM 670 CB ALA A 60 0.987 -7.851 5.306 1.00 0.00 C ATOM 0 H ALA A 60 1.074 -6.497 2.471 1.00 0.00 H new ATOM 0 HA ALA A 60 2.493 -6.421 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.606 -8.484 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.413 -7.163 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.304 -8.474 4.728 1.00 0.00 H new ATOM 676 N GLY A 61 3.705 -7.324 2.728 1.00 0.00 N ATOM 677 CA GLY A 61 4.634 -8.087 1.901 1.00 0.00 C ATOM 678 C GLY A 61 4.749 -7.408 0.559 1.00 0.00 C ATOM 679 O GLY A 61 4.015 -7.796 -0.335 1.00 0.00 O ATOM 0 H GLY A 61 3.810 -6.312 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.611 -8.143 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.279 -9.110 1.779 1.00 0.00 H new ATOM 683 N VAL A 62 5.638 -6.397 0.401 1.00 0.00 N ATOM 684 CA VAL A 62 5.782 -5.712 -0.885 1.00 0.00 C ATOM 685 C VAL A 62 7.200 -5.922 -1.345 1.00 0.00 C ATOM 686 O VAL A 62 7.979 -6.502 -0.606 1.00 0.00 O ATOM 687 CB VAL A 62 5.414 -4.197 -0.791 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.109 -3.958 0.017 1.00 0.00 C ATOM 689 CG2 VAL A 62 6.621 -3.329 -0.332 1.00 0.00 C ATOM 0 H VAL A 62 6.251 -6.051 1.139 1.00 0.00 H new ATOM 0 HA VAL A 62 5.084 -6.128 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 62 5.185 -3.852 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.895 -2.890 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.282 -4.477 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.234 -4.339 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.318 -2.283 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.953 -3.659 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.438 -3.436 -1.045 1.00 0.00 H new ATOM 699 N VAL A 63 7.543 -5.463 -2.568 1.00 0.00 N ATOM 700 CA VAL A 63 8.892 -5.686 -3.086 1.00 0.00 C ATOM 701 C VAL A 63 9.219 -4.529 -4.005 1.00 0.00 C ATOM 702 O VAL A 63 8.410 -4.264 -4.879 1.00 0.00 O ATOM 703 CB VAL A 63 9.026 -7.097 -3.748 1.00 0.00 C ATOM 704 CG1 VAL A 63 7.647 -7.772 -3.985 1.00 0.00 C ATOM 705 CG2 VAL A 63 9.852 -7.062 -5.060 1.00 0.00 C ATOM 0 H VAL A 63 6.919 -4.952 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 63 9.629 -5.704 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 63 9.575 -7.708 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.794 -8.749 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.133 -7.895 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.044 -7.147 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.914 -8.067 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.367 -6.400 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.856 -6.695 -4.848 1.00 0.00 H new ATOM 715 N VAL A 64 10.363 -3.826 -3.817 1.00 0.00 N ATOM 716 CA VAL A 64 10.653 -2.624 -4.596 1.00 0.00 C ATOM 717 C VAL A 64 11.654 -2.992 -5.671 1.00 0.00 C ATOM 718 O VAL A 64 12.553 -3.757 -5.363 1.00 0.00 O ATOM 719 CB VAL A 64 11.175 -1.507 -3.645 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.460 -0.186 -4.407 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.160 -1.242 -2.497 1.00 0.00 C ATOM 0 H VAL A 64 11.083 -4.076 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 64 9.759 -2.234 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 64 12.114 -1.863 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.822 0.567 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.216 -0.363 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.543 0.168 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.545 -0.458 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.206 -0.926 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.016 -2.156 -1.920 1.00 0.00 H new ATOM 731 N ALA A 65 11.518 -2.481 -6.920 1.00 0.00 N ATOM 732 CA ALA A 65 12.418 -2.873 -8.008 1.00 0.00 C ATOM 733 C ALA A 65 12.581 -1.722 -8.980 1.00 0.00 C ATOM 734 O ALA A 65 11.825 -1.690 -9.936 1.00 0.00 O ATOM 735 CB ALA A 65 11.801 -4.111 -8.712 1.00 0.00 C ATOM 0 H ALA A 65 10.801 -1.806 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 65 13.406 -3.124 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.450 -4.426 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.699 -4.925 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.819 -3.852 -9.109 1.00 0.00 H new ATOM 741 N GLY A 66 13.539 -0.785 -8.763 1.00 0.00 N ATOM 742 CA GLY A 66 13.682 0.386 -9.637 1.00 0.00 C ATOM 743 C GLY A 66 13.198 0.129 -11.048 1.00 0.00 C ATOM 744 O GLY A 66 13.794 -0.736 -11.669 1.00 0.00 O ATOM 0 H GLY A 66 14.212 -0.825 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.123 1.220 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.730 0.686 -9.666 1.00 0.00 H new ATOM 748 N SER A 67 12.131 0.828 -11.520 1.00 0.00 N ATOM 749 CA SER A 67 11.391 0.449 -12.732 1.00 0.00 C ATOM 750 C SER A 67 10.002 -0.006 -12.332 1.00 0.00 C ATOM 751 O SER A 67 9.112 0.007 -13.168 1.00 0.00 O ATOM 752 CB SER A 67 11.977 -0.662 -13.642 1.00 0.00 C ATOM 753 OG SER A 67 11.975 -1.921 -12.949 1.00 0.00 O ATOM 0 H SER A 67 11.769 1.666 -11.065 1.00 0.00 H new ATOM 0 HA SER A 67 11.433 1.357 -13.333 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.390 -0.741 -14.557 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.994 -0.402 -13.937 1.00 0.00 H new ATOM 0 HG SER A 67 12.783 -1.993 -12.400 1.00 0.00 H new ATOM 759 N GLY A 68 9.784 -0.422 -11.064 1.00 0.00 N ATOM 760 CA GLY A 68 8.451 -0.808 -10.639 1.00 0.00 C ATOM 761 C GLY A 68 8.485 -1.375 -9.247 1.00 0.00 C ATOM 762 O GLY A 68 9.558 -1.576 -8.708 1.00 0.00 O ATOM 0 H GLY A 68 10.504 -0.493 -10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.789 0.057 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.043 -1.547 -11.329 1.00 0.00 H new ATOM 766 N VAL A 69 7.302 -1.615 -8.656 1.00 0.00 N ATOM 767 CA VAL A 69 7.223 -2.015 -7.262 1.00 0.00 C ATOM 768 C VAL A 69 6.025 -2.904 -7.176 1.00 0.00 C ATOM 769 O VAL A 69 5.132 -2.694 -7.985 1.00 0.00 O ATOM 770 CB VAL A 69 7.009 -0.769 -6.364 1.00 0.00 C ATOM 771 CG1 VAL A 69 6.865 -1.159 -4.864 1.00 0.00 C ATOM 772 CG2 VAL A 69 8.141 0.260 -6.609 1.00 0.00 C ATOM 0 H VAL A 69 6.401 -1.537 -9.127 1.00 0.00 H new ATOM 0 HA VAL A 69 8.134 -2.513 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 69 6.066 -0.296 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.717 -0.259 -4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.008 -1.822 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.769 -1.670 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.983 1.132 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.103 -0.194 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.134 0.566 -7.655 1.00 0.00 H new ATOM 782 N GLN A 70 5.987 -3.871 -6.233 1.00 0.00 N ATOM 783 CA GLN A 70 4.798 -4.686 -6.114 1.00 0.00 C ATOM 784 C GLN A 70 4.201 -4.421 -4.770 1.00 0.00 C ATOM 785 O GLN A 70 4.774 -3.631 -4.043 1.00 0.00 O ATOM 786 CB GLN A 70 5.023 -6.184 -6.461 1.00 0.00 C ATOM 787 CG GLN A 70 6.348 -6.437 -7.226 1.00 0.00 C ATOM 788 CD GLN A 70 6.613 -7.866 -7.657 1.00 0.00 C ATOM 789 OE1 GLN A 70 7.342 -8.026 -8.626 1.00 0.00 O ATOM 790 NE2 GLN A 70 6.091 -8.933 -7.007 1.00 0.00 N ATOM 0 H GLN A 70 6.739 -4.087 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 70 4.071 -4.400 -6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.024 -6.768 -5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.188 -6.541 -7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.356 -5.805 -8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.175 -6.111 -6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.484 -8.791 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.305 -9.878 -7.325 1.00 0.00 H new ATOM 799 N ALA A 71 3.065 -5.062 -4.428 1.00 0.00 N ATOM 800 CA ALA A 71 2.528 -4.900 -3.092 1.00 0.00 C ATOM 801 C ALA A 71 1.599 -6.042 -2.789 1.00 0.00 C ATOM 802 O ALA A 71 0.734 -6.314 -3.607 1.00 0.00 O ATOM 803 CB ALA A 71 2.029 -3.468 -2.728 1.00 0.00 C ATOM 0 H ALA A 71 2.529 -5.673 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 71 3.354 -4.968 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.649 -3.464 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.856 -2.763 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.233 -3.175 -3.413 1.00 0.00 H new ATOM 809 N ILE A 72 1.807 -6.751 -1.655 1.00 0.00 N ATOM 810 CA ILE A 72 1.114 -8.008 -1.434 1.00 0.00 C ATOM 811 C ILE A 72 0.836 -8.115 0.047 1.00 0.00 C ATOM 812 O ILE A 72 1.568 -7.527 0.827 1.00 0.00 O ATOM 813 CB ILE A 72 1.941 -9.198 -2.040 1.00 0.00 C ATOM 814 CG1 ILE A 72 1.387 -9.739 -3.399 1.00 0.00 C ATOM 815 CG2 ILE A 72 2.124 -10.368 -1.030 1.00 0.00 C ATOM 816 CD1 ILE A 72 2.168 -9.237 -4.646 1.00 0.00 C ATOM 0 H ILE A 72 2.437 -6.469 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 72 0.156 -8.051 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 72 2.918 -8.763 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.412 -10.829 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.342 -9.446 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.702 -11.165 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.651 -10.007 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.147 -10.752 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.722 -9.657 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.122 -8.149 -4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.209 -9.553 -4.575 1.00 0.00 H new ATOM 828 N PHE A 73 -0.232 -8.852 0.433 1.00 0.00 N ATOM 829 CA PHE A 73 -0.556 -8.979 1.842 1.00 0.00 C ATOM 830 C PHE A 73 -0.397 -10.452 2.140 1.00 0.00 C ATOM 831 O PHE A 73 -1.394 -11.131 2.324 1.00 0.00 O ATOM 832 CB PHE A 73 -1.969 -8.437 2.157 1.00 0.00 C ATOM 833 CG PHE A 73 -2.276 -6.961 1.824 1.00 0.00 C ATOM 834 CD1 PHE A 73 -2.060 -6.374 0.571 1.00 0.00 C ATOM 835 CD2 PHE A 73 -2.846 -6.154 2.821 1.00 0.00 C ATOM 836 CE1 PHE A 73 -2.391 -5.032 0.354 1.00 0.00 C ATOM 837 CE2 PHE A 73 -3.427 -4.916 2.517 1.00 0.00 C ATOM 838 CZ PHE A 73 -3.150 -4.324 1.279 1.00 0.00 C ATOM 0 H PHE A 73 -0.857 -9.348 -0.202 1.00 0.00 H new ATOM 0 HA PHE A 73 0.097 -8.381 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.690 -9.056 1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.152 -8.583 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.636 -6.960 -0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.836 -6.495 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.052 -4.539 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.078 -4.426 3.226 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.519 -3.336 1.047 1.00 0.00 H new ATOM 848 N GLY A 74 0.869 -10.932 2.159 1.00 0.00 N ATOM 849 CA GLY A 74 1.150 -12.363 2.197 1.00 0.00 C ATOM 850 C GLY A 74 0.188 -13.152 3.045 1.00 0.00 C ATOM 851 O GLY A 74 -0.728 -13.743 2.494 1.00 0.00 O ATOM 0 H GLY A 74 1.700 -10.341 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.128 -12.755 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.161 -12.515 2.575 1.00 0.00 H new ATOM 855 N THR A 75 0.386 -13.168 4.385 1.00 0.00 N ATOM 856 CA THR A 75 -0.543 -13.881 5.264 1.00 0.00 C ATOM 857 C THR A 75 -1.055 -12.963 6.355 1.00 0.00 C ATOM 858 O THR A 75 -1.316 -13.417 7.459 1.00 0.00 O ATOM 859 CB THR A 75 0.141 -15.176 5.780 1.00 0.00 C ATOM 860 OG1 THR A 75 1.425 -14.826 6.313 1.00 0.00 O ATOM 861 CG2 THR A 75 0.391 -16.182 4.630 1.00 0.00 C ATOM 0 H THR A 75 1.161 -12.706 4.861 1.00 0.00 H new ATOM 0 HA THR A 75 -1.433 -14.194 4.718 1.00 0.00 H new ATOM 0 HB THR A 75 -0.512 -15.630 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.872 -15.632 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.871 -17.077 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.560 -16.454 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.038 -15.725 3.881 1.00 0.00 H new ATOM 869 N LYS A 76 -1.232 -11.657 6.047 1.00 0.00 N ATOM 870 CA LYS A 76 -1.869 -10.746 6.995 1.00 0.00 C ATOM 871 C LYS A 76 -2.715 -9.768 6.205 1.00 0.00 C ATOM 872 O LYS A 76 -2.609 -8.574 6.429 1.00 0.00 O ATOM 873 CB LYS A 76 -0.862 -10.030 7.944 1.00 0.00 C ATOM 874 CG LYS A 76 -0.237 -10.947 9.037 1.00 0.00 C ATOM 875 CD LYS A 76 1.064 -11.671 8.582 1.00 0.00 C ATOM 876 CE LYS A 76 2.374 -10.918 8.970 1.00 0.00 C ATOM 877 NZ LYS A 76 2.695 -10.990 10.417 1.00 0.00 N ATOM 0 H LYS A 76 -0.946 -11.228 5.167 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.499 -11.325 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.059 -9.603 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.371 -9.199 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.018 -10.346 9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.972 -11.694 9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.086 -12.668 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.037 -11.800 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.205 -11.335 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.282 -9.872 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.576 -10.470 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.920 -10.567 10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.815 -11.984 10.697 1.00 0.00 H new ATOM 891 N SER A 77 -3.569 -10.266 5.278 1.00 0.00 N ATOM 892 CA SER A 77 -4.491 -9.379 4.569 1.00 0.00 C ATOM 893 C SER A 77 -5.700 -9.129 5.420 1.00 0.00 C ATOM 894 O SER A 77 -6.170 -8.006 5.448 1.00 0.00 O ATOM 895 CB SER A 77 -4.981 -9.961 3.222 1.00 0.00 C ATOM 896 OG SER A 77 -5.265 -8.915 2.275 1.00 0.00 O ATOM 0 H SER A 77 -3.631 -11.250 5.017 1.00 0.00 H new ATOM 0 HA SER A 77 -3.937 -8.462 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.222 -10.628 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.877 -10.560 3.386 1.00 0.00 H new ATOM 0 HG SER A 77 -5.855 -9.261 1.573 1.00 0.00 H new ATOM 902 N ASP A 78 -6.230 -10.166 6.102 1.00 0.00 N ATOM 903 CA ASP A 78 -7.418 -9.941 6.914 1.00 0.00 C ATOM 904 C ASP A 78 -7.076 -8.942 8.000 1.00 0.00 C ATOM 905 O ASP A 78 -7.811 -7.986 8.187 1.00 0.00 O ATOM 906 CB ASP A 78 -7.946 -11.274 7.506 1.00 0.00 C ATOM 907 CG ASP A 78 -9.352 -11.093 8.017 1.00 0.00 C ATOM 908 OD1 ASP A 78 -10.289 -11.070 7.171 1.00 0.00 O ATOM 909 OD2 ASP A 78 -9.531 -10.968 9.259 1.00 0.00 O ATOM 0 H ASP A 78 -5.867 -11.119 6.103 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.219 -9.536 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.925 -12.053 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.296 -11.604 8.316 1.00 0.00 H new ATOM 914 N ASN A 79 -5.946 -9.148 8.720 1.00 0.00 N ATOM 915 CA ASN A 79 -5.583 -8.216 9.788 1.00 0.00 C ATOM 916 C ASN A 79 -5.363 -6.837 9.218 1.00 0.00 C ATOM 917 O ASN A 79 -5.930 -5.882 9.724 1.00 0.00 O ATOM 918 CB ASN A 79 -4.296 -8.646 10.542 1.00 0.00 C ATOM 919 CG ASN A 79 -3.968 -7.642 11.625 1.00 0.00 C ATOM 920 OD1 ASN A 79 -4.754 -7.513 12.551 1.00 0.00 O ATOM 921 ND2 ASN A 79 -2.831 -6.914 11.547 1.00 0.00 N ATOM 0 H ASN A 79 -5.299 -9.924 8.581 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.411 -8.216 10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.435 -9.634 10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.464 -8.723 9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.610 -6.234 12.274 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.195 -7.045 10.761 1.00 0.00 H new ATOM 928 N LEU A 80 -4.541 -6.715 8.156 1.00 0.00 N ATOM 929 CA LEU A 80 -4.339 -5.397 7.558 1.00 0.00 C ATOM 930 C LEU A 80 -5.679 -4.822 7.152 1.00 0.00 C ATOM 931 O LEU A 80 -5.894 -3.654 7.413 1.00 0.00 O ATOM 932 CB LEU A 80 -3.398 -5.418 6.337 1.00 0.00 C ATOM 933 CG LEU A 80 -1.892 -5.161 6.650 1.00 0.00 C ATOM 934 CD1 LEU A 80 -1.584 -3.636 6.688 1.00 0.00 C ATOM 935 CD2 LEU A 80 -1.368 -5.826 7.958 1.00 0.00 C ATOM 0 H LEU A 80 -4.030 -7.481 7.717 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.859 -4.775 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.490 -6.387 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.737 -4.666 5.625 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.358 -5.641 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.527 -3.484 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.821 -3.193 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.188 -3.162 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.312 -5.590 8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.932 -5.447 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.493 -6.907 7.892 1.00 0.00 H new ATOM 947 N LYS A 81 -6.585 -5.602 6.518 1.00 0.00 N ATOM 948 CA LYS A 81 -7.882 -5.062 6.088 1.00 0.00 C ATOM 949 C LYS A 81 -8.604 -4.406 7.240 1.00 0.00 C ATOM 950 O LYS A 81 -9.242 -3.389 7.024 1.00 0.00 O ATOM 951 CB LYS A 81 -8.879 -6.115 5.501 1.00 0.00 C ATOM 952 CG LYS A 81 -9.108 -5.951 3.974 1.00 0.00 C ATOM 953 CD LYS A 81 -10.212 -6.910 3.441 1.00 0.00 C ATOM 954 CE LYS A 81 -9.955 -8.400 3.800 1.00 0.00 C ATOM 955 NZ LYS A 81 -10.881 -9.309 3.083 1.00 0.00 N ATOM 0 H LYS A 81 -6.440 -6.588 6.299 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.612 -4.360 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.499 -7.117 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.835 -6.029 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.389 -4.920 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.175 -6.144 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.176 -6.606 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.278 -6.810 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.926 -8.661 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.069 -8.539 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.677 -10.293 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.862 -9.077 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.754 -9.195 2.057 1.00 0.00 H new ATOM 969 N THR A 82 -8.545 -4.990 8.457 1.00 0.00 N ATOM 970 CA THR A 82 -9.346 -4.455 9.556 1.00 0.00 C ATOM 971 C THR A 82 -8.771 -3.095 9.874 1.00 0.00 C ATOM 972 O THR A 82 -9.450 -2.092 9.729 1.00 0.00 O ATOM 973 CB THR A 82 -9.310 -5.390 10.795 1.00 0.00 C ATOM 974 OG1 THR A 82 -7.935 -5.530 11.184 1.00 0.00 O ATOM 975 CG2 THR A 82 -9.937 -6.778 10.475 1.00 0.00 C ATOM 0 H THR A 82 -7.971 -5.801 8.689 1.00 0.00 H new ATOM 0 HA THR A 82 -10.396 -4.380 9.273 1.00 0.00 H new ATOM 0 HB THR A 82 -9.899 -4.961 11.606 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.444 -6.007 10.483 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.896 -7.409 11.363 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.975 -6.647 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.379 -7.252 9.667 1.00 0.00 H new ATOM 983 N GLU A 83 -7.491 -3.046 10.296 1.00 0.00 N ATOM 984 CA GLU A 83 -6.845 -1.758 10.533 1.00 0.00 C ATOM 985 C GLU A 83 -6.943 -0.853 9.313 1.00 0.00 C ATOM 986 O GLU A 83 -7.073 0.345 9.499 1.00 0.00 O ATOM 987 CB GLU A 83 -5.379 -1.939 11.021 1.00 0.00 C ATOM 988 CG GLU A 83 -4.474 -2.571 9.932 1.00 0.00 C ATOM 989 CD GLU A 83 -3.098 -2.961 10.416 1.00 0.00 C ATOM 990 OE1 GLU A 83 -3.022 -3.835 11.322 1.00 0.00 O ATOM 991 OE2 GLU A 83 -2.081 -2.422 9.900 1.00 0.00 O ATOM 0 H GLU A 83 -6.906 -3.863 10.473 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.384 -1.258 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.972 -0.970 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.369 -2.569 11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.970 -3.456 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.370 -1.865 9.108 1.00 0.00 H new ATOM 998 N MET A 84 -6.910 -1.354 8.052 1.00 0.00 N ATOM 999 CA MET A 84 -7.073 -0.456 6.910 1.00 0.00 C ATOM 1000 C MET A 84 -8.451 0.152 7.028 1.00 0.00 C ATOM 1001 O MET A 84 -8.565 1.361 6.904 1.00 0.00 O ATOM 1002 CB MET A 84 -6.930 -1.067 5.484 1.00 0.00 C ATOM 1003 CG MET A 84 -5.539 -1.702 5.194 1.00 0.00 C ATOM 1004 SD MET A 84 -4.943 -1.340 3.506 1.00 0.00 S ATOM 1005 CE MET A 84 -4.220 0.314 3.735 1.00 0.00 C ATOM 0 H MET A 84 -6.777 -2.338 7.818 1.00 0.00 H new ATOM 0 HA MET A 84 -6.245 0.250 6.975 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.699 -1.828 5.349 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.121 -0.287 4.747 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.815 -1.330 5.919 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.601 -2.782 5.330 1.00 0.00 H new ATOM 0 HE1 MET A 84 -3.632 0.579 2.856 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.018 1.044 3.871 1.00 0.00 H new ATOM 0 HE3 MET A 84 -3.577 0.311 4.615 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.495 -0.675 7.283 1.00 0.00 N ATOM 1016 CA ASP A 85 -10.851 -0.148 7.425 1.00 0.00 C ATOM 1017 C ASP A 85 -10.818 1.019 8.386 1.00 0.00 C ATOM 1018 O ASP A 85 -11.347 2.070 8.061 1.00 0.00 O ATOM 1019 CB ASP A 85 -11.883 -1.215 7.895 1.00 0.00 C ATOM 1020 CG ASP A 85 -13.309 -0.717 7.871 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -13.602 0.260 7.130 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -14.155 -1.308 8.597 1.00 0.00 O ATOM 0 H ASP A 85 -9.416 -1.686 7.391 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.187 0.173 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.802 -2.095 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.633 -1.531 8.908 1.00 0.00 H new ATOM 1027 N GLU A 86 -10.175 0.846 9.566 1.00 0.00 N ATOM 1028 CA GLU A 86 -10.066 1.954 10.517 1.00 0.00 C ATOM 1029 C GLU A 86 -9.485 3.188 9.867 1.00 0.00 C ATOM 1030 O GLU A 86 -9.951 4.271 10.179 1.00 0.00 O ATOM 1031 CB GLU A 86 -9.183 1.631 11.761 1.00 0.00 C ATOM 1032 CG GLU A 86 -10.008 0.997 12.913 1.00 0.00 C ATOM 1033 CD GLU A 86 -10.759 2.080 13.652 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -10.179 2.652 14.616 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -11.926 2.377 13.277 1.00 0.00 O ATOM 0 H GLU A 86 -9.740 -0.026 9.867 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.091 2.126 10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.383 0.950 11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.709 2.546 12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.708 0.264 12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.347 0.466 13.598 1.00 0.00 H new ATOM 1042 N TYR A 87 -8.460 3.063 8.997 1.00 0.00 N ATOM 1043 CA TYR A 87 -7.806 4.262 8.475 1.00 0.00 C ATOM 1044 C TYR A 87 -8.778 5.074 7.647 1.00 0.00 C ATOM 1045 O TYR A 87 -8.873 6.273 7.859 1.00 0.00 O ATOM 1046 CB TYR A 87 -6.548 3.931 7.625 1.00 0.00 C ATOM 1047 CG TYR A 87 -5.582 2.932 8.272 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -5.591 2.672 9.648 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -4.662 2.263 7.447 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -4.753 1.688 10.186 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -3.855 1.259 7.980 1.00 0.00 C ATOM 1052 CZ TYR A 87 -3.903 0.965 9.349 1.00 0.00 C ATOM 1053 OH TYR A 87 -3.099 -0.057 9.852 1.00 0.00 O ATOM 0 H TYR A 87 -8.085 2.177 8.657 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.478 4.843 9.337 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.871 3.533 6.663 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.010 4.857 7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.247 3.233 10.297 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.580 2.526 6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.765 1.489 11.247 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.190 0.705 7.334 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.774 -0.612 9.112 1.00 0.00 H new ATOM 1063 N ILE A 88 -9.512 4.443 6.702 1.00 0.00 N ATOM 1064 CA ILE A 88 -10.443 5.211 5.874 1.00 0.00 C ATOM 1065 C ILE A 88 -11.525 5.756 6.780 1.00 0.00 C ATOM 1066 O ILE A 88 -11.890 6.914 6.647 1.00 0.00 O ATOM 1067 CB ILE A 88 -11.083 4.393 4.708 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -10.019 3.575 3.901 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -11.865 5.346 3.759 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -10.180 2.045 4.103 1.00 0.00 C ATOM 0 H ILE A 88 -9.476 3.443 6.505 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.877 6.007 5.391 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.771 3.673 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.109 3.811 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.019 3.878 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.309 4.768 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.653 5.851 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.182 6.088 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.420 1.520 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.063 1.803 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.170 1.736 3.768 1.00 0.00 H new ATOM 1082 N ARG A 89 -12.039 4.936 7.725 1.00 0.00 N ATOM 1083 CA ARG A 89 -13.039 5.438 8.670 1.00 0.00 C ATOM 1084 C ARG A 89 -12.470 6.583 9.492 1.00 0.00 C ATOM 1085 O ARG A 89 -13.205 7.498 9.832 1.00 0.00 O ATOM 1086 CB ARG A 89 -13.534 4.291 9.600 1.00 0.00 C ATOM 1087 CG ARG A 89 -14.361 3.230 8.817 1.00 0.00 C ATOM 1088 CD ARG A 89 -14.761 2.015 9.701 1.00 0.00 C ATOM 1089 NE ARG A 89 -15.736 1.160 9.013 1.00 0.00 N ATOM 1090 CZ ARG A 89 -16.494 0.270 9.622 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -16.381 -0.012 10.900 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -17.404 -0.366 8.917 1.00 0.00 N ATOM 0 H ARG A 89 -11.783 3.956 7.846 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.891 5.813 8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.677 3.809 10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.144 4.709 10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.262 3.698 8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.780 2.879 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.873 1.433 9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.183 2.369 10.642 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.833 1.261 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.682 0.467 11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.992 -0.710 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.510 -0.166 7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -18.003 -1.059 9.365 1.00 0.00 H new ATOM 1106 N ASN A 90 -11.154 6.549 9.809 1.00 0.00 N ATOM 1107 CA ASN A 90 -10.512 7.639 10.553 1.00 0.00 C ATOM 1108 C ASN A 90 -10.280 8.859 9.682 1.00 0.00 C ATOM 1109 O ASN A 90 -10.077 9.928 10.237 1.00 0.00 O ATOM 1110 CB ASN A 90 -9.156 7.148 11.140 1.00 0.00 C ATOM 1111 CG ASN A 90 -8.421 8.162 11.987 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -9.049 9.018 12.590 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -7.071 8.077 12.059 1.00 0.00 N ATOM 0 H ASN A 90 -10.528 5.783 9.560 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.184 7.930 11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.339 6.258 11.743 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.508 6.847 10.316 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.548 8.741 12.630 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.578 7.349 11.542 1.00 0.00 H new