USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 658 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 69 SER OG : rot 76:sc= -8.18! USER MOD Set 1.2: A 72 GLN : amide:sc= -0.189 X(o=-8.4,f=-8.2) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -11.4! C(o=-12!,f=-14!) USER MOD Set 2.2: A 30 TYR OH : rot 130:sc= -0.109 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.9) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.165 K(o=-0.17,f=-2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.16! C(o=-3.2!,f=-6.2!) USER MOD Single : A 40 CYS SG : rot -110:sc= -4.86! USER MOD Single : A 42 THR OG1 : rot -113:sc= 1.64 USER MOD Single : A 47 TYR OH : rot -39:sc= -8.53! USER MOD Single : A 55 GLN : amide:sc= -0.452 K(o=-0.45,f=-1) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -42:sc= 0.088 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -119:sc= -1.11 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 24:sc= 0.0578 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -5.368 4.300 9.060 1.00 0.00 N ATOM 26 CA LYS A 2 -4.103 4.891 8.556 1.00 0.00 C ATOM 27 C LYS A 2 -3.111 3.776 8.215 1.00 0.00 C ATOM 28 O LYS A 2 -3.191 2.672 8.715 1.00 0.00 O ATOM 29 CB LYS A 2 -3.535 5.830 9.637 1.00 0.00 C ATOM 30 CG LYS A 2 -2.060 5.520 9.940 1.00 0.00 C ATOM 31 CD LYS A 2 -1.473 6.631 10.813 1.00 0.00 C ATOM 32 CE LYS A 2 -0.372 7.359 10.039 1.00 0.00 C ATOM 33 NZ LYS A 2 0.632 7.902 10.997 1.00 0.00 N ATOM 0 HA LYS A 2 -4.286 5.465 7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.629 6.864 9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.123 5.732 10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.977 4.560 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.497 5.437 9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.255 7.333 11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.068 6.210 11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.109 6.675 9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.802 8.168 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.381 8.397 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.167 8.568 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.050 7.121 11.542 1.00 0.00 H new ATOM 47 N ALA A 3 -2.172 4.077 7.368 1.00 0.00 N ATOM 48 CA ALA A 3 -1.151 3.066 6.980 1.00 0.00 C ATOM 49 C ALA A 3 0.232 3.723 6.962 1.00 0.00 C ATOM 50 O ALA A 3 0.358 4.930 7.022 1.00 0.00 O ATOM 51 CB ALA A 3 -1.475 2.516 5.589 1.00 0.00 C ATOM 0 H ALA A 3 -2.066 4.988 6.923 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.157 2.248 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.726 1.776 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.460 2.049 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.470 3.331 4.865 1.00 0.00 H new ATOM 57 N VAL A 4 1.269 2.936 6.884 1.00 0.00 N ATOM 58 CA VAL A 4 2.645 3.508 6.867 1.00 0.00 C ATOM 59 C VAL A 4 3.588 2.542 6.150 1.00 0.00 C ATOM 60 O VAL A 4 3.777 1.419 6.574 1.00 0.00 O ATOM 61 CB VAL A 4 3.130 3.708 8.304 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.584 4.185 8.294 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.251 4.753 8.996 1.00 0.00 C ATOM 0 H VAL A 4 1.223 1.918 6.831 1.00 0.00 H new ATOM 0 HA VAL A 4 2.634 4.465 6.346 1.00 0.00 H new ATOM 0 HB VAL A 4 3.066 2.763 8.844 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.927 4.327 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.208 3.439 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.653 5.129 7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.595 4.897 10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.315 5.697 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.217 4.410 9.006 1.00 0.00 H new ATOM 73 N ILE A 5 4.184 2.963 5.069 1.00 0.00 N ATOM 74 CA ILE A 5 5.114 2.054 4.342 1.00 0.00 C ATOM 75 C ILE A 5 6.557 2.414 4.687 1.00 0.00 C ATOM 76 O ILE A 5 7.097 3.394 4.210 1.00 0.00 O ATOM 77 CB ILE A 5 4.898 2.188 2.837 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.382 2.124 2.550 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.654 1.056 2.123 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.062 1.124 1.430 1.00 0.00 C ATOM 0 H ILE A 5 4.069 3.890 4.660 1.00 0.00 H new ATOM 0 HA ILE A 5 4.916 1.025 4.642 1.00 0.00 H new ATOM 0 HB ILE A 5 5.281 3.140 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.851 1.837 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.022 3.114 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.506 1.142 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.718 1.129 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.275 0.093 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.986 1.105 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.573 1.426 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.399 0.130 1.723 1.00 0.00 H new ATOM 92 N ASN A 6 7.182 1.627 5.517 1.00 0.00 N ATOM 93 CA ASN A 6 8.585 1.905 5.905 1.00 0.00 C ATOM 94 C ASN A 6 9.530 1.243 4.898 1.00 0.00 C ATOM 95 O ASN A 6 9.770 0.053 4.948 1.00 0.00 O ATOM 96 CB ASN A 6 8.826 1.327 7.297 1.00 0.00 C ATOM 97 CG ASN A 6 7.837 1.949 8.285 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.994 1.264 8.831 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.905 3.227 8.541 1.00 0.00 N ATOM 0 H ASN A 6 6.774 0.796 5.945 1.00 0.00 H new ATOM 0 HA ASN A 6 8.770 2.979 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.706 0.244 7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.849 1.529 7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.251 3.651 9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.612 3.802 8.083 1.00 0.00 H new ATOM 106 N GLY A 7 10.062 2.003 3.981 1.00 0.00 N ATOM 107 CA GLY A 7 10.985 1.417 2.966 1.00 0.00 C ATOM 108 C GLY A 7 12.203 0.806 3.662 1.00 0.00 C ATOM 109 O GLY A 7 12.810 -0.124 3.167 1.00 0.00 O ATOM 0 H GLY A 7 9.898 3.006 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.465 0.654 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.305 2.187 2.264 1.00 0.00 H new ATOM 113 N GLU A 8 12.571 1.321 4.802 1.00 0.00 N ATOM 114 CA GLU A 8 13.753 0.768 5.522 1.00 0.00 C ATOM 115 C GLU A 8 13.485 -0.688 5.911 1.00 0.00 C ATOM 116 O GLU A 8 14.394 -1.486 6.026 1.00 0.00 O ATOM 117 CB GLU A 8 14.012 1.592 6.785 1.00 0.00 C ATOM 118 CG GLU A 8 12.723 1.689 7.605 1.00 0.00 C ATOM 119 CD GLU A 8 12.227 3.136 7.608 1.00 0.00 C ATOM 120 OE1 GLU A 8 11.466 3.482 6.719 1.00 0.00 O ATOM 121 OE2 GLU A 8 12.615 3.873 8.499 1.00 0.00 O ATOM 0 H GLU A 8 12.105 2.100 5.266 1.00 0.00 H new ATOM 0 HA GLU A 8 14.626 0.813 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.800 1.128 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.360 2.589 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.961 1.033 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.903 1.353 8.626 1.00 0.00 H new ATOM 128 N GLN A 9 12.247 -1.037 6.124 1.00 0.00 N ATOM 129 CA GLN A 9 11.922 -2.434 6.516 1.00 0.00 C ATOM 130 C GLN A 9 11.668 -3.285 5.269 1.00 0.00 C ATOM 131 O GLN A 9 12.054 -4.435 5.200 1.00 0.00 O ATOM 132 CB GLN A 9 10.663 -2.419 7.381 1.00 0.00 C ATOM 133 CG GLN A 9 10.884 -1.505 8.586 1.00 0.00 C ATOM 134 CD GLN A 9 10.777 -2.323 9.874 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.971 -3.228 9.968 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.560 -2.042 10.879 1.00 0.00 N ATOM 0 H GLN A 9 11.445 -0.412 6.043 1.00 0.00 H new ATOM 0 HA GLN A 9 12.758 -2.860 7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.812 -2.069 6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.427 -3.429 7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.865 -1.033 8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.145 -0.704 8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.237 -1.283 10.801 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.495 -2.581 11.742 1.00 0.00 H new ATOM 145 N ILE A 10 11.004 -2.735 4.293 1.00 0.00 N ATOM 146 CA ILE A 10 10.700 -3.512 3.062 1.00 0.00 C ATOM 147 C ILE A 10 11.945 -4.231 2.546 1.00 0.00 C ATOM 148 O ILE A 10 13.003 -3.653 2.399 1.00 0.00 O ATOM 149 CB ILE A 10 10.174 -2.577 1.972 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.777 -2.096 2.349 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.102 -3.335 0.643 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.817 -3.279 2.339 1.00 0.00 C ATOM 0 H ILE A 10 10.657 -1.776 4.295 1.00 0.00 H new ATOM 0 HA ILE A 10 9.943 -4.255 3.312 1.00 0.00 H new ATOM 0 HB ILE A 10 10.843 -1.722 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.793 -1.634 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.440 -1.334 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.727 -2.670 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.097 -3.688 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.431 -4.187 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.817 -2.938 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.794 -3.721 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.152 -4.026 3.059 1.00 0.00 H new ATOM 164 N ARG A 11 11.803 -5.491 2.250 1.00 0.00 N ATOM 165 CA ARG A 11 12.932 -6.283 1.719 1.00 0.00 C ATOM 166 C ARG A 11 12.591 -6.716 0.288 1.00 0.00 C ATOM 167 O ARG A 11 13.423 -7.227 -0.435 1.00 0.00 O ATOM 168 CB ARG A 11 13.115 -7.515 2.598 1.00 0.00 C ATOM 169 CG ARG A 11 13.406 -7.080 4.036 1.00 0.00 C ATOM 170 CD ARG A 11 14.880 -7.330 4.359 1.00 0.00 C ATOM 171 NE ARG A 11 15.001 -8.556 5.198 1.00 0.00 N ATOM 172 CZ ARG A 11 16.164 -9.127 5.353 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.921 -9.358 4.315 1.00 0.00 N ATOM 174 NH2 ARG A 11 16.570 -9.468 6.545 1.00 0.00 N ATOM 0 H ARG A 11 10.932 -6.011 2.358 1.00 0.00 H new ATOM 0 HA ARG A 11 13.850 -5.695 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.217 -8.132 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.934 -8.126 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.170 -6.023 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.772 -7.633 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.451 -7.448 3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.299 -6.473 4.886 1.00 0.00 H new ATOM 0 HE ARG A 11 14.175 -8.948 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.603 -9.092 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.830 -9.804 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.978 -9.288 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.479 -9.914 6.666 1.00 0.00 H new ATOM 188 N SER A 12 11.363 -6.513 -0.119 1.00 0.00 N ATOM 189 CA SER A 12 10.942 -6.905 -1.494 1.00 0.00 C ATOM 190 C SER A 12 9.459 -6.561 -1.678 1.00 0.00 C ATOM 191 O SER A 12 8.791 -6.140 -0.750 1.00 0.00 O ATOM 192 CB SER A 12 11.148 -8.409 -1.684 1.00 0.00 C ATOM 193 OG SER A 12 9.911 -9.082 -1.484 1.00 0.00 O ATOM 0 H SER A 12 10.630 -6.089 0.449 1.00 0.00 H new ATOM 0 HA SER A 12 11.539 -6.367 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.528 -8.612 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.894 -8.777 -0.979 1.00 0.00 H new ATOM 0 HG SER A 12 10.039 -10.046 -1.607 1.00 0.00 H new ATOM 199 N ILE A 13 8.932 -6.732 -2.861 1.00 0.00 N ATOM 200 CA ILE A 13 7.494 -6.406 -3.077 1.00 0.00 C ATOM 201 C ILE A 13 6.645 -7.183 -2.071 1.00 0.00 C ATOM 202 O ILE A 13 5.791 -6.627 -1.408 1.00 0.00 O ATOM 203 CB ILE A 13 7.076 -6.782 -4.500 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.664 -6.257 -4.776 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.088 -8.303 -4.649 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.535 -4.813 -4.278 1.00 0.00 C ATOM 0 H ILE A 13 9.430 -7.080 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 13 7.344 -5.335 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 13 7.774 -6.339 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.453 -6.302 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.928 -6.889 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.790 -8.572 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.092 -8.680 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.390 -8.744 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.528 -4.448 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.727 -4.780 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.259 -4.184 -4.796 1.00 0.00 H new ATOM 218 N SER A 14 6.879 -8.461 -1.933 1.00 0.00 N ATOM 219 CA SER A 14 6.088 -9.246 -0.950 1.00 0.00 C ATOM 220 C SER A 14 6.080 -8.472 0.363 1.00 0.00 C ATOM 221 O SER A 14 5.061 -8.311 1.004 1.00 0.00 O ATOM 222 CB SER A 14 6.741 -10.612 -0.736 1.00 0.00 C ATOM 223 OG SER A 14 5.754 -11.546 -0.320 1.00 0.00 O ATOM 0 H SER A 14 7.578 -8.989 -2.455 1.00 0.00 H new ATOM 0 HA SER A 14 5.071 -9.398 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.212 -10.951 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.527 -10.538 0.015 1.00 0.00 H new ATOM 0 HG SER A 14 6.170 -12.423 -0.184 1.00 0.00 H new ATOM 229 N ASP A 15 7.221 -7.976 0.752 1.00 0.00 N ATOM 230 CA ASP A 15 7.314 -7.189 2.002 1.00 0.00 C ATOM 231 C ASP A 15 6.373 -5.991 1.912 1.00 0.00 C ATOM 232 O ASP A 15 5.678 -5.662 2.846 1.00 0.00 O ATOM 233 CB ASP A 15 8.743 -6.682 2.169 1.00 0.00 C ATOM 234 CG ASP A 15 9.328 -7.211 3.479 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.497 -8.414 3.587 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.597 -6.403 4.353 1.00 0.00 O ATOM 0 H ASP A 15 8.101 -8.086 0.248 1.00 0.00 H new ATOM 0 HA ASP A 15 7.039 -7.815 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.355 -7.008 1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.755 -5.592 2.168 1.00 0.00 H new ATOM 241 N LEU A 16 6.356 -5.339 0.786 1.00 0.00 N ATOM 242 CA LEU A 16 5.472 -4.158 0.611 1.00 0.00 C ATOM 243 C LEU A 16 4.032 -4.550 0.920 1.00 0.00 C ATOM 244 O LEU A 16 3.340 -3.887 1.667 1.00 0.00 O ATOM 245 CB LEU A 16 5.581 -3.689 -0.835 1.00 0.00 C ATOM 246 CG LEU A 16 5.129 -2.233 -0.948 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.851 -1.386 0.104 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.474 -1.711 -2.342 1.00 0.00 C ATOM 0 H LEU A 16 6.923 -5.577 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 16 5.771 -3.357 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.610 -3.787 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.967 -4.320 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 16 4.053 -2.170 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.527 -0.349 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.614 -1.762 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.927 -1.444 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.155 -0.673 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.551 -1.774 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.963 -2.313 -3.093 1.00 0.00 H new ATOM 260 N HIS A 17 3.581 -5.628 0.356 1.00 0.00 N ATOM 261 CA HIS A 17 2.196 -6.078 0.611 1.00 0.00 C ATOM 262 C HIS A 17 2.088 -6.560 2.060 1.00 0.00 C ATOM 263 O HIS A 17 1.032 -6.546 2.655 1.00 0.00 O ATOM 264 CB HIS A 17 1.875 -7.206 -0.366 1.00 0.00 C ATOM 265 CG HIS A 17 2.139 -6.714 -1.764 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.439 -5.651 -2.314 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.032 -7.113 -2.729 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.918 -5.447 -3.554 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.889 -6.310 -3.857 1.00 0.00 N ATOM 0 H HIS A 17 4.119 -6.221 -0.276 1.00 0.00 H new ATOM 0 HA HIS A 17 1.485 -5.265 0.466 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.488 -8.081 -0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.834 -7.513 -0.262 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.696 -5.120 -1.860 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.737 -7.925 -2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.560 -4.678 -4.223 1.00 0.00 H new ATOM 277 N GLN A 18 3.178 -6.968 2.644 1.00 0.00 N ATOM 278 CA GLN A 18 3.130 -7.425 4.052 1.00 0.00 C ATOM 279 C GLN A 18 2.781 -6.233 4.944 1.00 0.00 C ATOM 280 O GLN A 18 1.839 -6.268 5.714 1.00 0.00 O ATOM 281 CB GLN A 18 4.494 -7.984 4.455 1.00 0.00 C ATOM 282 CG GLN A 18 4.343 -8.848 5.709 1.00 0.00 C ATOM 283 CD GLN A 18 5.610 -8.742 6.558 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.617 -8.232 6.107 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.605 -9.207 7.777 1.00 0.00 N ATOM 0 H GLN A 18 4.098 -7.004 2.205 1.00 0.00 H new ATOM 0 HA GLN A 18 2.377 -8.205 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.911 -8.577 3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.191 -7.168 4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.478 -8.522 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.166 -9.886 5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.760 -9.635 8.156 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.446 -9.142 8.351 1.00 0.00 H new ATOM 294 N THR A 19 3.536 -5.173 4.839 1.00 0.00 N ATOM 295 CA THR A 19 3.259 -3.978 5.667 1.00 0.00 C ATOM 296 C THR A 19 1.877 -3.439 5.292 1.00 0.00 C ATOM 297 O THR A 19 1.115 -3.028 6.135 1.00 0.00 O ATOM 298 CB THR A 19 4.364 -2.922 5.432 1.00 0.00 C ATOM 299 OG1 THR A 19 5.040 -2.682 6.657 1.00 0.00 O ATOM 300 CG2 THR A 19 3.773 -1.597 4.933 1.00 0.00 C ATOM 0 H THR A 19 4.335 -5.089 4.211 1.00 0.00 H new ATOM 0 HA THR A 19 3.261 -4.230 6.727 1.00 0.00 H new ATOM 0 HB THR A 19 5.048 -3.306 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.744 -2.015 6.517 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.576 -0.876 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.248 -1.764 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.075 -1.208 5.674 1.00 0.00 H new ATOM 308 N LEU A 20 1.545 -3.444 4.031 1.00 0.00 N ATOM 309 CA LEU A 20 0.218 -2.946 3.615 1.00 0.00 C ATOM 310 C LEU A 20 -0.853 -3.791 4.300 1.00 0.00 C ATOM 311 O LEU A 20 -1.897 -3.319 4.673 1.00 0.00 O ATOM 312 CB LEU A 20 0.087 -3.090 2.102 1.00 0.00 C ATOM 313 CG LEU A 20 0.939 -2.027 1.406 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.775 -2.161 -0.106 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.487 -0.634 1.852 1.00 0.00 C ATOM 0 H LEU A 20 2.142 -3.774 3.273 1.00 0.00 H new ATOM 0 HA LEU A 20 0.100 -1.899 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.406 -4.085 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.957 -2.984 1.806 1.00 0.00 H new ATOM 0 HG LEU A 20 1.987 -2.166 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.381 -1.405 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.100 -3.153 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.273 -2.021 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.095 0.122 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.560 -0.489 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.604 -0.542 2.932 1.00 0.00 H new ATOM 327 N LYS A 21 -0.580 -5.047 4.458 1.00 0.00 N ATOM 328 CA LYS A 21 -1.549 -5.970 5.112 1.00 0.00 C ATOM 329 C LYS A 21 -1.672 -5.626 6.596 1.00 0.00 C ATOM 330 O LYS A 21 -2.751 -5.594 7.145 1.00 0.00 O ATOM 331 CB LYS A 21 -1.047 -7.407 4.965 1.00 0.00 C ATOM 332 CG LYS A 21 -2.163 -8.382 5.349 1.00 0.00 C ATOM 333 CD LYS A 21 -1.655 -9.341 6.427 1.00 0.00 C ATOM 334 CE LYS A 21 -1.986 -10.780 6.028 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.729 -11.576 5.949 1.00 0.00 N ATOM 0 H LYS A 21 0.290 -5.487 4.157 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.525 -5.867 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.729 -7.589 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.176 -7.566 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.030 -7.833 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.488 -8.943 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.578 -9.226 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.115 -9.103 7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.665 -11.224 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.498 -10.793 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.954 -12.554 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.096 -11.156 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.258 -11.574 6.876 1.00 0.00 H new ATOM 349 N LYS A 22 -0.578 -5.367 7.251 1.00 0.00 N ATOM 350 CA LYS A 22 -0.644 -5.022 8.692 1.00 0.00 C ATOM 351 C LYS A 22 -1.415 -3.717 8.846 1.00 0.00 C ATOM 352 O LYS A 22 -2.429 -3.641 9.509 1.00 0.00 O ATOM 353 CB LYS A 22 0.771 -4.825 9.222 1.00 0.00 C ATOM 354 CG LYS A 22 0.762 -4.876 10.751 1.00 0.00 C ATOM 355 CD LYS A 22 1.325 -6.218 11.222 1.00 0.00 C ATOM 356 CE LYS A 22 2.075 -6.023 12.541 1.00 0.00 C ATOM 357 NZ LYS A 22 1.139 -6.239 13.681 1.00 0.00 N ATOM 0 H LYS A 22 0.359 -5.380 6.849 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.139 -5.820 9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.429 -5.599 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.166 -3.867 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.358 -4.058 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.254 -4.745 11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.517 -6.937 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.996 -6.628 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.909 -6.722 12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.496 -5.019 12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.648 -6.107 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.357 -5.556 13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.758 -7.206 13.639 1.00 0.00 H new ATOM 371 N GLU A 23 -0.923 -2.693 8.218 1.00 0.00 N ATOM 372 CA GLU A 23 -1.575 -1.368 8.277 1.00 0.00 C ATOM 373 C GLU A 23 -3.024 -1.505 7.825 1.00 0.00 C ATOM 374 O GLU A 23 -3.951 -1.368 8.598 1.00 0.00 O ATOM 375 CB GLU A 23 -0.826 -0.439 7.327 1.00 0.00 C ATOM 376 CG GLU A 23 0.583 -0.193 7.869 1.00 0.00 C ATOM 377 CD GLU A 23 0.535 0.878 8.960 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.557 1.195 9.403 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.590 1.360 9.335 1.00 0.00 O ATOM 0 H GLU A 23 -0.075 -2.723 7.653 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.555 -0.969 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.774 -0.882 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.360 0.506 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.995 -1.118 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.243 0.125 7.062 1.00 0.00 H new ATOM 386 N LEU A 24 -3.214 -1.791 6.573 1.00 0.00 N ATOM 387 CA LEU A 24 -4.581 -1.963 6.031 1.00 0.00 C ATOM 388 C LEU A 24 -5.291 -3.078 6.797 1.00 0.00 C ATOM 389 O LEU A 24 -6.490 -3.244 6.697 1.00 0.00 O ATOM 390 CB LEU A 24 -4.472 -2.365 4.561 1.00 0.00 C ATOM 391 CG LEU A 24 -3.745 -1.275 3.776 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.828 -1.929 2.741 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.769 -0.388 3.064 1.00 0.00 C ATOM 0 H LEU A 24 -2.465 -1.915 5.891 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.142 -1.034 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.934 -3.309 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.466 -2.524 4.144 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.152 -0.665 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.306 -1.156 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.100 -2.562 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.424 -2.536 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.250 0.390 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.362 -0.994 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.426 0.073 3.801 1.00 0.00 H new ATOM 405 N ALA A 25 -4.560 -3.860 7.548 1.00 0.00 N ATOM 406 CA ALA A 25 -5.200 -4.968 8.291 1.00 0.00 C ATOM 407 C ALA A 25 -5.959 -5.842 7.298 1.00 0.00 C ATOM 408 O ALA A 25 -7.063 -6.282 7.547 1.00 0.00 O ATOM 409 CB ALA A 25 -6.151 -4.384 9.325 1.00 0.00 C ATOM 0 H ALA A 25 -3.551 -3.774 7.674 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.453 -5.574 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.628 -5.193 9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.594 -3.751 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.914 -3.789 8.823 1.00 0.00 H new ATOM 415 N LEU A 26 -5.356 -6.094 6.170 1.00 0.00 N ATOM 416 CA LEU A 26 -6.009 -6.938 5.134 1.00 0.00 C ATOM 417 C LEU A 26 -6.339 -8.302 5.739 1.00 0.00 C ATOM 418 O LEU A 26 -5.787 -8.673 6.756 1.00 0.00 O ATOM 419 CB LEU A 26 -5.046 -7.117 3.957 1.00 0.00 C ATOM 420 CG LEU A 26 -4.588 -5.746 3.456 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.496 -5.925 2.404 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.776 -5.004 2.840 1.00 0.00 C ATOM 0 H LEU A 26 -4.430 -5.747 5.920 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.926 -6.462 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.184 -7.709 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.537 -7.664 3.152 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.194 -5.168 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.170 -4.948 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.649 -6.451 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.888 -6.504 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.449 -4.027 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.172 -5.582 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.554 -4.874 3.593 1.00 0.00 H new ATOM 434 N PRO A 27 -7.230 -9.013 5.099 1.00 0.00 N ATOM 435 CA PRO A 27 -7.641 -10.343 5.571 1.00 0.00 C ATOM 436 C PRO A 27 -6.427 -11.272 5.609 1.00 0.00 C ATOM 437 O PRO A 27 -5.323 -10.877 5.290 1.00 0.00 O ATOM 438 CB PRO A 27 -8.667 -10.828 4.538 1.00 0.00 C ATOM 439 CG PRO A 27 -8.862 -9.693 3.500 1.00 0.00 C ATOM 440 CD PRO A 27 -7.894 -8.557 3.864 1.00 0.00 C ATOM 0 HA PRO A 27 -8.061 -10.324 6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.317 -11.737 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.613 -11.070 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.662 -10.058 2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.892 -9.337 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.171 -8.382 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.426 -7.619 4.023 1.00 0.00 H new ATOM 448 N GLU A 28 -6.619 -12.500 5.993 1.00 0.00 N ATOM 449 CA GLU A 28 -5.470 -13.443 6.045 1.00 0.00 C ATOM 450 C GLU A 28 -5.177 -13.950 4.636 1.00 0.00 C ATOM 451 O GLU A 28 -4.130 -14.505 4.368 1.00 0.00 O ATOM 452 CB GLU A 28 -5.823 -14.626 6.943 1.00 0.00 C ATOM 453 CG GLU A 28 -5.842 -14.173 8.404 1.00 0.00 C ATOM 454 CD GLU A 28 -5.928 -15.396 9.318 1.00 0.00 C ATOM 455 OE1 GLU A 28 -5.393 -16.428 8.946 1.00 0.00 O ATOM 456 OE2 GLU A 28 -6.528 -15.282 10.374 1.00 0.00 O ATOM 0 H GLU A 28 -7.518 -12.891 6.272 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.594 -12.932 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.796 -15.030 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.096 -15.427 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.943 -13.600 8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.692 -13.514 8.580 1.00 0.00 H new ATOM 463 N TYR A 29 -6.096 -13.762 3.731 1.00 0.00 N ATOM 464 CA TYR A 29 -5.873 -14.232 2.338 1.00 0.00 C ATOM 465 C TYR A 29 -5.396 -13.062 1.475 1.00 0.00 C ATOM 466 O TYR A 29 -5.361 -13.149 0.264 1.00 0.00 O ATOM 467 CB TYR A 29 -7.181 -14.789 1.769 1.00 0.00 C ATOM 468 CG TYR A 29 -8.335 -13.911 2.190 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.692 -12.803 1.413 1.00 0.00 C ATOM 470 CD2 TYR A 29 -9.051 -14.207 3.357 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.765 -11.990 1.802 1.00 0.00 C ATOM 472 CE2 TYR A 29 -10.124 -13.395 3.746 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.480 -12.287 2.968 1.00 0.00 C ATOM 474 OH TYR A 29 -11.537 -11.487 3.351 1.00 0.00 O ATOM 0 H TYR A 29 -6.992 -13.303 3.897 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.116 -15.016 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.125 -14.835 0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.338 -15.808 2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.140 -12.574 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.776 -15.062 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.040 -11.135 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.676 -13.624 4.646 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.925 -11.833 4.182 1.00 0.00 H new ATOM 484 N TYR A 30 -5.028 -11.965 2.084 1.00 0.00 N ATOM 485 CA TYR A 30 -4.556 -10.801 1.275 1.00 0.00 C ATOM 486 C TYR A 30 -3.568 -11.293 0.219 1.00 0.00 C ATOM 487 O TYR A 30 -2.434 -11.611 0.519 1.00 0.00 O ATOM 488 CB TYR A 30 -3.857 -9.769 2.171 1.00 0.00 C ATOM 489 CG TYR A 30 -3.128 -8.763 1.299 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.713 -8.325 0.105 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.867 -8.277 1.677 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.042 -7.405 -0.711 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.193 -7.352 0.859 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.784 -6.920 -0.334 1.00 0.00 C ATOM 495 OH TYR A 30 -1.125 -6.013 -1.139 1.00 0.00 O ATOM 0 H TYR A 30 -5.033 -11.824 3.094 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.417 -10.331 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.588 -9.261 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.154 -10.267 2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.684 -8.697 -0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.413 -8.614 2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.496 -7.070 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.223 -6.977 1.150 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.827 -5.252 -0.598 1.00 0.00 H new ATOM 505 N GLY A 31 -3.980 -11.351 -1.016 1.00 0.00 N ATOM 506 CA GLY A 31 -3.048 -11.814 -2.080 1.00 0.00 C ATOM 507 C GLY A 31 -1.751 -11.013 -1.981 1.00 0.00 C ATOM 508 O GLY A 31 -0.861 -11.357 -1.230 1.00 0.00 O ATOM 0 H GLY A 31 -4.916 -11.099 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.844 -12.879 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.500 -11.680 -3.063 1.00 0.00 H new ATOM 512 N GLU A 32 -1.654 -9.939 -2.726 1.00 0.00 N ATOM 513 CA GLU A 32 -0.428 -9.081 -2.690 1.00 0.00 C ATOM 514 C GLU A 32 -0.261 -8.372 -4.035 1.00 0.00 C ATOM 515 O GLU A 32 0.516 -7.453 -4.166 1.00 0.00 O ATOM 516 CB GLU A 32 0.818 -9.932 -2.426 1.00 0.00 C ATOM 517 CG GLU A 32 0.752 -11.211 -3.262 1.00 0.00 C ATOM 518 CD GLU A 32 2.083 -11.413 -3.990 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.674 -10.422 -4.385 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.487 -12.554 -4.139 1.00 0.00 O ATOM 0 H GLU A 32 -2.381 -9.617 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.542 -8.351 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.716 -9.368 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.883 -10.181 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.542 -12.067 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.063 -11.146 -3.983 1.00 0.00 H new ATOM 527 N ASN A 33 -0.973 -8.793 -5.041 1.00 0.00 N ATOM 528 CA ASN A 33 -0.832 -8.136 -6.371 1.00 0.00 C ATOM 529 C ASN A 33 -1.648 -6.842 -6.405 1.00 0.00 C ATOM 530 O ASN A 33 -2.182 -6.403 -5.408 1.00 0.00 O ATOM 531 CB ASN A 33 -1.320 -9.074 -7.482 1.00 0.00 C ATOM 532 CG ASN A 33 -2.585 -9.823 -7.047 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.680 -9.442 -7.405 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.483 -10.890 -6.301 1.00 0.00 N ATOM 0 H ASN A 33 -1.644 -9.560 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 33 0.221 -7.906 -6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.525 -8.499 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.536 -9.789 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.322 -11.399 -6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.565 -11.214 -5.998 1.00 0.00 H new ATOM 541 N LEU A 34 -1.747 -6.232 -7.553 1.00 0.00 N ATOM 542 CA LEU A 34 -2.530 -4.968 -7.676 1.00 0.00 C ATOM 543 C LEU A 34 -4.014 -5.299 -7.609 1.00 0.00 C ATOM 544 O LEU A 34 -4.806 -4.592 -7.031 1.00 0.00 O ATOM 545 CB LEU A 34 -2.247 -4.343 -9.034 1.00 0.00 C ATOM 546 CG LEU A 34 -0.754 -4.040 -9.174 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.477 -3.493 -10.576 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.337 -2.999 -8.133 1.00 0.00 C ATOM 0 H LEU A 34 -1.316 -6.557 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.253 -4.284 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.564 -5.020 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.824 -3.425 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.184 -4.956 -9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.586 -3.276 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.770 -4.234 -11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.050 -2.579 -10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.727 -2.787 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.907 -2.082 -8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.534 -3.385 -7.133 1.00 0.00 H new ATOM 560 N ASP A 35 -4.379 -6.370 -8.230 1.00 0.00 N ATOM 561 CA ASP A 35 -5.800 -6.802 -8.254 1.00 0.00 C ATOM 562 C ASP A 35 -6.279 -7.130 -6.841 1.00 0.00 C ATOM 563 O ASP A 35 -7.414 -6.885 -6.486 1.00 0.00 O ATOM 564 CB ASP A 35 -5.893 -8.067 -9.090 1.00 0.00 C ATOM 565 CG ASP A 35 -5.714 -7.724 -10.570 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.227 -6.699 -10.987 1.00 0.00 O ATOM 567 OD2 ASP A 35 -5.066 -8.493 -11.261 1.00 0.00 O ATOM 0 H ASP A 35 -3.741 -6.983 -8.736 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.415 -6.002 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.128 -8.778 -8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.859 -8.548 -8.933 1.00 0.00 H new ATOM 572 N ALA A 36 -5.425 -7.697 -6.038 1.00 0.00 N ATOM 573 CA ALA A 36 -5.835 -8.055 -4.650 1.00 0.00 C ATOM 574 C ALA A 36 -5.744 -6.820 -3.781 1.00 0.00 C ATOM 575 O ALA A 36 -6.707 -6.388 -3.182 1.00 0.00 O ATOM 576 CB ALA A 36 -4.908 -9.126 -4.087 1.00 0.00 C ATOM 0 H ALA A 36 -4.462 -7.929 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.855 -8.438 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.218 -9.379 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.957 -10.016 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.885 -8.750 -4.071 1.00 0.00 H new ATOM 582 N LEU A 37 -4.583 -6.242 -3.728 1.00 0.00 N ATOM 583 CA LEU A 37 -4.399 -5.010 -2.920 1.00 0.00 C ATOM 584 C LEU A 37 -5.580 -4.093 -3.210 1.00 0.00 C ATOM 585 O LEU A 37 -6.258 -3.592 -2.328 1.00 0.00 O ATOM 586 CB LEU A 37 -3.102 -4.330 -3.358 1.00 0.00 C ATOM 587 CG LEU A 37 -3.124 -2.861 -2.929 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.146 -2.773 -1.402 1.00 0.00 C ATOM 589 CD2 LEU A 37 -1.880 -2.150 -3.465 1.00 0.00 C ATOM 0 H LEU A 37 -3.748 -6.571 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.346 -5.236 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.245 -4.837 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.989 -4.402 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.016 -2.381 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.162 -1.726 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.036 -3.275 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.256 -3.255 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.898 -1.104 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.986 -2.630 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.868 -2.209 -4.553 1.00 0.00 H new ATOM 601 N TRP A 38 -5.828 -3.889 -4.461 1.00 0.00 N ATOM 602 CA TRP A 38 -6.953 -3.038 -4.866 1.00 0.00 C ATOM 603 C TRP A 38 -8.224 -3.631 -4.313 1.00 0.00 C ATOM 604 O TRP A 38 -8.973 -2.993 -3.609 1.00 0.00 O ATOM 605 CB TRP A 38 -7.067 -3.017 -6.383 1.00 0.00 C ATOM 606 CG TRP A 38 -8.210 -2.142 -6.735 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.493 -2.533 -6.763 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.197 -0.739 -7.066 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.283 -1.449 -7.108 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.520 -0.315 -7.306 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.167 0.194 -7.185 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.807 1.004 -7.652 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.439 1.513 -7.525 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.758 1.927 -7.760 1.00 0.00 C ATOM 0 H TRP A 38 -5.288 -4.284 -5.230 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.793 -2.027 -4.492 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.146 -2.643 -6.831 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.223 -4.024 -6.769 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.851 -3.530 -6.551 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.298 -1.484 -7.204 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.146 -0.113 -7.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.826 1.311 -7.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.630 2.224 -7.609 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.965 2.954 -8.023 1.00 0.00 H new ATOM 625 N ASP A 39 -8.461 -4.863 -4.632 1.00 0.00 N ATOM 626 CA ASP A 39 -9.682 -5.537 -4.135 1.00 0.00 C ATOM 627 C ASP A 39 -9.860 -5.185 -2.662 1.00 0.00 C ATOM 628 O ASP A 39 -10.958 -5.168 -2.142 1.00 0.00 O ATOM 629 CB ASP A 39 -9.536 -7.049 -4.292 1.00 0.00 C ATOM 630 CG ASP A 39 -10.245 -7.502 -5.570 1.00 0.00 C ATOM 631 OD1 ASP A 39 -9.715 -7.249 -6.639 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.306 -8.094 -5.457 1.00 0.00 O ATOM 0 H ASP A 39 -7.858 -5.438 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.551 -5.208 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.481 -7.321 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.962 -7.558 -3.427 1.00 0.00 H new ATOM 637 N CYS A 40 -8.780 -4.892 -1.987 1.00 0.00 N ATOM 638 CA CYS A 40 -8.886 -4.530 -0.553 1.00 0.00 C ATOM 639 C CYS A 40 -9.293 -3.057 -0.418 1.00 0.00 C ATOM 640 O CYS A 40 -10.182 -2.724 0.336 1.00 0.00 O ATOM 641 CB CYS A 40 -7.539 -4.758 0.133 1.00 0.00 C ATOM 642 SG CYS A 40 -7.320 -6.525 0.459 1.00 0.00 S ATOM 0 H CYS A 40 -7.834 -4.889 -2.369 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.643 -5.154 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.730 -4.391 -0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.494 -4.197 1.066 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.394 -6.743 1.739 1.00 0.00 H new ATOM 648 N LEU A 41 -8.650 -2.164 -1.130 1.00 0.00 N ATOM 649 CA LEU A 41 -9.009 -0.730 -1.007 1.00 0.00 C ATOM 650 C LEU A 41 -10.472 -0.501 -1.406 1.00 0.00 C ATOM 651 O LEU A 41 -11.210 0.183 -0.725 1.00 0.00 O ATOM 652 CB LEU A 41 -8.102 0.092 -1.920 1.00 0.00 C ATOM 653 CG LEU A 41 -6.638 -0.291 -1.687 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.759 0.488 -2.656 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.235 0.047 -0.250 1.00 0.00 C ATOM 0 H LEU A 41 -7.897 -2.371 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.879 -0.422 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.370 -0.080 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.244 1.155 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.512 -1.361 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.715 0.220 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.043 0.245 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.890 1.557 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.192 -0.228 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.359 1.116 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.867 -0.507 0.445 1.00 0.00 H new ATOM 667 N THR A 42 -10.889 -1.046 -2.514 1.00 0.00 N ATOM 668 CA THR A 42 -12.282 -0.842 -2.972 1.00 0.00 C ATOM 669 C THR A 42 -13.193 -1.960 -2.458 1.00 0.00 C ATOM 670 O THR A 42 -14.279 -2.158 -2.968 1.00 0.00 O ATOM 671 CB THR A 42 -12.312 -0.830 -4.502 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.700 -2.014 -4.994 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.553 0.392 -5.022 1.00 0.00 C ATOM 0 H THR A 42 -10.316 -1.629 -3.124 1.00 0.00 H new ATOM 0 HA THR A 42 -12.643 0.109 -2.580 1.00 0.00 H new ATOM 0 HB THR A 42 -13.346 -0.784 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.867 -1.784 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.576 0.398 -6.112 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.023 1.300 -4.644 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.519 0.350 -4.681 1.00 0.00 H new ATOM 681 N GLY A 43 -12.779 -2.701 -1.464 1.00 0.00 N ATOM 682 CA GLY A 43 -13.666 -3.794 -0.966 1.00 0.00 C ATOM 683 C GLY A 43 -13.171 -4.353 0.373 1.00 0.00 C ATOM 684 O GLY A 43 -13.460 -5.483 0.716 1.00 0.00 O ATOM 0 H GLY A 43 -11.885 -2.601 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.682 -3.416 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.707 -4.596 -1.703 1.00 0.00 H new ATOM 688 N TRP A 44 -12.442 -3.592 1.144 1.00 0.00 N ATOM 689 CA TRP A 44 -11.967 -4.125 2.452 1.00 0.00 C ATOM 690 C TRP A 44 -11.512 -2.973 3.347 1.00 0.00 C ATOM 691 O TRP A 44 -12.196 -2.580 4.270 1.00 0.00 O ATOM 692 CB TRP A 44 -10.796 -5.080 2.218 1.00 0.00 C ATOM 693 CG TRP A 44 -10.307 -5.595 3.533 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.257 -5.093 4.222 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.829 -6.698 4.328 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.100 -5.818 5.389 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.046 -6.818 5.501 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.895 -7.597 4.147 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.312 -7.796 6.460 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.165 -8.583 5.111 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.375 -8.682 6.265 1.00 0.00 C ATOM 0 H TRP A 44 -12.158 -2.636 0.928 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.783 -4.658 2.940 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.109 -5.909 1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -9.991 -4.565 1.694 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.642 -4.262 3.911 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.374 -5.636 6.082 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.510 -7.529 3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.700 -7.868 7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.986 -9.269 4.962 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.588 -9.442 7.002 1.00 0.00 H new ATOM 712 N VAL A 45 -10.357 -2.437 3.082 1.00 0.00 N ATOM 713 CA VAL A 45 -9.840 -1.317 3.913 1.00 0.00 C ATOM 714 C VAL A 45 -10.964 -0.318 4.186 1.00 0.00 C ATOM 715 O VAL A 45 -11.858 -0.138 3.382 1.00 0.00 O ATOM 716 CB VAL A 45 -8.704 -0.615 3.167 1.00 0.00 C ATOM 717 CG1 VAL A 45 -7.933 0.280 4.139 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.757 -1.663 2.579 1.00 0.00 C ATOM 0 H VAL A 45 -9.744 -2.728 2.320 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.469 -1.709 4.860 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.118 -0.007 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.123 0.781 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.607 1.026 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.518 -0.328 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.947 -1.164 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.343 -2.271 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.306 -2.302 1.887 1.00 0.00 H new ATOM 728 N GLU A 46 -10.924 0.341 5.311 1.00 0.00 N ATOM 729 CA GLU A 46 -11.988 1.336 5.626 1.00 0.00 C ATOM 730 C GLU A 46 -11.449 2.744 5.374 1.00 0.00 C ATOM 731 O GLU A 46 -10.369 3.095 5.807 1.00 0.00 O ATOM 732 CB GLU A 46 -12.423 1.209 7.090 1.00 0.00 C ATOM 733 CG GLU A 46 -11.273 0.653 7.934 1.00 0.00 C ATOM 734 CD GLU A 46 -11.695 0.605 9.403 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.714 -0.004 9.687 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.993 1.178 10.220 1.00 0.00 O ATOM 0 H GLU A 46 -10.203 0.234 6.024 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.851 1.148 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.728 2.183 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.290 0.552 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.004 -0.345 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.388 1.279 7.819 1.00 0.00 H new ATOM 743 N TYR A 47 -12.194 3.548 4.670 1.00 0.00 N ATOM 744 CA TYR A 47 -11.735 4.934 4.371 1.00 0.00 C ATOM 745 C TYR A 47 -12.634 5.928 5.119 1.00 0.00 C ATOM 746 O TYR A 47 -13.666 5.540 5.630 1.00 0.00 O ATOM 747 CB TYR A 47 -11.819 5.152 2.854 1.00 0.00 C ATOM 748 CG TYR A 47 -10.776 4.299 2.153 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.758 3.670 2.887 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.828 4.132 0.764 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.804 2.886 2.235 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.874 3.342 0.119 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.862 2.721 0.853 1.00 0.00 C ATOM 754 OH TYR A 47 -7.922 1.941 0.213 1.00 0.00 O ATOM 0 H TYR A 47 -13.107 3.304 4.286 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.706 5.086 4.697 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.815 4.893 2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.659 6.204 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.713 3.793 3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.606 4.614 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.020 2.407 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.919 3.211 -0.952 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.043 2.088 0.621 1.00 0.00 H new ATOM 764 N PRO A 48 -12.228 7.181 5.188 1.00 0.00 N ATOM 765 CA PRO A 48 -10.975 7.693 4.577 1.00 0.00 C ATOM 766 C PRO A 48 -9.735 7.010 5.159 1.00 0.00 C ATOM 767 O PRO A 48 -9.599 6.853 6.357 1.00 0.00 O ATOM 768 CB PRO A 48 -10.955 9.190 4.922 1.00 0.00 C ATOM 769 CG PRO A 48 -12.227 9.503 5.749 1.00 0.00 C ATOM 770 CD PRO A 48 -13.020 8.198 5.901 1.00 0.00 C ATOM 0 HA PRO A 48 -10.953 7.499 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.059 9.439 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.933 9.791 4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.958 9.903 6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.831 10.261 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.147 7.934 6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.018 8.291 5.473 1.00 0.00 H new ATOM 778 N LEU A 49 -8.828 6.605 4.309 1.00 0.00 N ATOM 779 CA LEU A 49 -7.589 5.934 4.790 1.00 0.00 C ATOM 780 C LEU A 49 -6.395 6.852 4.552 1.00 0.00 C ATOM 781 O LEU A 49 -6.395 7.669 3.658 1.00 0.00 O ATOM 782 CB LEU A 49 -7.378 4.631 3.993 1.00 0.00 C ATOM 783 CG LEU A 49 -5.888 4.248 3.942 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.434 3.747 5.315 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.671 3.152 2.896 1.00 0.00 C ATOM 0 H LEU A 49 -8.895 6.712 3.297 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.683 5.712 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.949 3.824 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.760 4.755 2.980 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.303 5.126 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.379 3.477 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.578 4.534 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.021 2.873 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.615 2.884 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.260 2.274 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.983 3.516 1.917 1.00 0.00 H new ATOM 797 N VAL A 50 -5.354 6.673 5.307 1.00 0.00 N ATOM 798 CA VAL A 50 -4.133 7.481 5.080 1.00 0.00 C ATOM 799 C VAL A 50 -3.032 6.516 4.631 1.00 0.00 C ATOM 800 O VAL A 50 -2.884 5.445 5.172 1.00 0.00 O ATOM 801 CB VAL A 50 -3.724 8.218 6.378 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.336 7.771 6.860 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.673 9.721 6.108 1.00 0.00 C ATOM 0 H VAL A 50 -5.296 6.001 6.072 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.306 8.242 4.319 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.460 7.981 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.078 8.307 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.348 6.699 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.596 7.989 6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.385 10.245 7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.942 9.926 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.655 10.066 5.786 1.00 0.00 H new ATOM 813 N LEU A 51 -2.243 6.889 3.679 1.00 0.00 N ATOM 814 CA LEU A 51 -1.145 5.987 3.260 1.00 0.00 C ATOM 815 C LEU A 51 0.155 6.739 3.469 1.00 0.00 C ATOM 816 O LEU A 51 0.654 7.402 2.580 1.00 0.00 O ATOM 817 CB LEU A 51 -1.284 5.572 1.792 1.00 0.00 C ATOM 818 CG LEU A 51 -0.182 4.561 1.461 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.495 3.231 2.139 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.111 4.329 -0.046 1.00 0.00 C ATOM 0 H LEU A 51 -2.306 7.772 3.173 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.173 5.071 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.266 5.132 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.204 6.444 1.143 1.00 0.00 H new ATOM 0 HG LEU A 51 0.770 4.956 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.288 2.510 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.544 3.375 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.453 2.856 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.677 3.608 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.067 3.942 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.108 5.271 -0.549 1.00 0.00 H new ATOM 832 N GLU A 52 0.691 6.662 4.653 1.00 0.00 N ATOM 833 CA GLU A 52 1.948 7.384 4.952 1.00 0.00 C ATOM 834 C GLU A 52 3.121 6.588 4.383 1.00 0.00 C ATOM 835 O GLU A 52 3.851 5.922 5.092 1.00 0.00 O ATOM 836 CB GLU A 52 2.083 7.544 6.468 1.00 0.00 C ATOM 837 CG GLU A 52 3.527 7.904 6.825 1.00 0.00 C ATOM 838 CD GLU A 52 3.531 9.055 7.833 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.363 10.187 7.410 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.701 8.785 9.011 1.00 0.00 O ATOM 0 H GLU A 52 0.306 6.125 5.430 1.00 0.00 H new ATOM 0 HA GLU A 52 1.940 8.374 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.406 8.322 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.795 6.619 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.036 7.037 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.074 8.191 5.927 1.00 0.00 H new ATOM 847 N TRP A 53 3.294 6.659 3.094 1.00 0.00 N ATOM 848 CA TRP A 53 4.401 5.928 2.436 1.00 0.00 C ATOM 849 C TRP A 53 5.691 6.730 2.618 1.00 0.00 C ATOM 850 O TRP A 53 5.829 7.823 2.104 1.00 0.00 O ATOM 851 CB TRP A 53 4.081 5.791 0.947 1.00 0.00 C ATOM 852 CG TRP A 53 4.788 4.602 0.393 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.107 4.347 0.547 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.246 3.505 -0.402 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.412 3.167 -0.103 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.301 2.612 -0.703 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.956 3.200 -0.889 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.091 1.461 -1.456 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.745 2.035 -1.652 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.813 1.172 -1.933 1.00 0.00 C ATOM 0 H TRP A 53 2.705 7.202 2.463 1.00 0.00 H new ATOM 0 HA TRP A 53 4.522 4.937 2.874 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.005 5.687 0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.388 6.691 0.414 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.807 4.965 1.089 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.345 2.756 -0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.129 3.862 -0.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.914 0.795 -1.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.757 1.806 -2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.646 0.281 -2.520 1.00 0.00 H new ATOM 871 N ARG A 54 6.633 6.209 3.353 1.00 0.00 N ATOM 872 CA ARG A 54 7.899 6.962 3.570 1.00 0.00 C ATOM 873 C ARG A 54 8.902 6.609 2.464 1.00 0.00 C ATOM 874 O ARG A 54 8.670 6.887 1.305 1.00 0.00 O ATOM 875 CB ARG A 54 8.468 6.607 4.947 1.00 0.00 C ATOM 876 CG ARG A 54 7.480 7.042 6.031 1.00 0.00 C ATOM 877 CD ARG A 54 8.051 6.711 7.411 1.00 0.00 C ATOM 878 NE ARG A 54 7.757 7.830 8.350 1.00 0.00 N ATOM 879 CZ ARG A 54 7.880 7.656 9.639 1.00 0.00 C ATOM 880 NH1 ARG A 54 8.180 6.478 10.117 1.00 0.00 N ATOM 881 NH2 ARG A 54 7.701 8.662 10.451 1.00 0.00 N ATOM 0 H ARG A 54 6.582 5.299 3.811 1.00 0.00 H new ATOM 0 HA ARG A 54 7.705 8.034 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.648 5.534 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.428 7.101 5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.288 8.112 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.525 6.536 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.615 5.784 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.127 6.552 7.343 1.00 0.00 H new ATOM 0 HE ARG A 54 7.459 8.735 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.319 5.691 9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.275 6.345 11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.465 9.582 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.797 8.528 11.458 1.00 0.00 H new ATOM 895 N GLN A 55 10.014 6.007 2.798 1.00 0.00 N ATOM 896 CA GLN A 55 11.008 5.657 1.745 1.00 0.00 C ATOM 897 C GLN A 55 10.287 5.033 0.549 1.00 0.00 C ATOM 898 O GLN A 55 10.021 3.849 0.522 1.00 0.00 O ATOM 899 CB GLN A 55 12.017 4.656 2.311 1.00 0.00 C ATOM 900 CG GLN A 55 13.220 5.410 2.881 1.00 0.00 C ATOM 901 CD GLN A 55 12.844 6.027 4.229 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.385 5.339 5.119 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.019 7.307 4.419 1.00 0.00 N ATOM 0 H GLN A 55 10.274 5.745 3.749 1.00 0.00 H new ATOM 0 HA GLN A 55 11.530 6.558 1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.550 4.054 3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.342 3.970 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.064 4.731 3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.536 6.190 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.404 7.885 3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.770 7.728 5.314 1.00 0.00 H new ATOM 912 N PHE A 56 9.969 5.820 -0.444 1.00 0.00 N ATOM 913 CA PHE A 56 9.270 5.264 -1.637 1.00 0.00 C ATOM 914 C PHE A 56 10.308 4.859 -2.684 1.00 0.00 C ATOM 915 O PHE A 56 10.492 3.693 -2.969 1.00 0.00 O ATOM 916 CB PHE A 56 8.333 6.321 -2.225 1.00 0.00 C ATOM 917 CG PHE A 56 7.341 5.653 -3.147 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.128 5.171 -2.640 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.635 5.513 -4.509 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.210 4.549 -3.494 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.716 4.892 -5.363 1.00 0.00 C ATOM 922 CZ PHE A 56 5.503 4.410 -4.856 1.00 0.00 C ATOM 0 H PHE A 56 10.163 6.821 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 56 8.686 4.392 -1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.808 6.843 -1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.908 7.069 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.901 5.279 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.571 5.884 -4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.275 4.176 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.943 4.785 -6.413 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.794 3.931 -5.515 1.00 0.00 H new ATOM 932 N GLU A 57 10.996 5.812 -3.254 1.00 0.00 N ATOM 933 CA GLU A 57 12.027 5.470 -4.273 1.00 0.00 C ATOM 934 C GLU A 57 12.973 4.424 -3.688 1.00 0.00 C ATOM 935 O GLU A 57 13.367 3.487 -4.353 1.00 0.00 O ATOM 936 CB GLU A 57 12.822 6.720 -4.640 1.00 0.00 C ATOM 937 CG GLU A 57 12.075 7.505 -5.721 1.00 0.00 C ATOM 938 CD GLU A 57 12.608 7.110 -7.099 1.00 0.00 C ATOM 939 OE1 GLU A 57 12.268 6.031 -7.557 1.00 0.00 O ATOM 940 OE2 GLU A 57 13.348 7.892 -7.673 1.00 0.00 O ATOM 0 H GLU A 57 10.889 6.807 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 57 11.542 5.077 -5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.966 7.344 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.813 6.441 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.006 7.301 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.204 8.576 -5.563 1.00 0.00 H new ATOM 947 N GLN A 58 13.335 4.576 -2.444 1.00 0.00 N ATOM 948 CA GLN A 58 14.240 3.594 -1.808 1.00 0.00 C ATOM 949 C GLN A 58 13.508 2.258 -1.709 1.00 0.00 C ATOM 950 O GLN A 58 14.079 1.205 -1.911 1.00 0.00 O ATOM 951 CB GLN A 58 14.624 4.081 -0.410 1.00 0.00 C ATOM 952 CG GLN A 58 15.428 5.379 -0.525 1.00 0.00 C ATOM 953 CD GLN A 58 16.910 5.087 -0.283 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.417 5.310 0.798 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.632 4.594 -1.252 1.00 0.00 N ATOM 0 H GLN A 58 13.038 5.344 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 58 15.147 3.478 -2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.728 4.247 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.212 3.320 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.290 5.818 -1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.067 6.108 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.207 4.406 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.621 4.396 -1.101 1.00 0.00 H new ATOM 964 N SER A 59 12.236 2.299 -1.414 1.00 0.00 N ATOM 965 CA SER A 59 11.452 1.038 -1.319 1.00 0.00 C ATOM 966 C SER A 59 11.010 0.622 -2.725 1.00 0.00 C ATOM 967 O SER A 59 10.275 -0.329 -2.901 1.00 0.00 O ATOM 968 CB SER A 59 10.221 1.256 -0.439 1.00 0.00 C ATOM 969 OG SER A 59 9.697 -0.005 -0.046 1.00 0.00 O ATOM 0 H SER A 59 11.708 3.153 -1.235 1.00 0.00 H new ATOM 0 HA SER A 59 12.069 0.256 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.487 1.842 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.466 1.823 -0.984 1.00 0.00 H new ATOM 0 HG SER A 59 9.707 -0.616 -0.812 1.00 0.00 H new ATOM 975 N LYS A 60 11.460 1.325 -3.728 1.00 0.00 N ATOM 976 CA LYS A 60 11.078 0.967 -5.120 1.00 0.00 C ATOM 977 C LYS A 60 12.245 0.223 -5.774 1.00 0.00 C ATOM 978 O LYS A 60 12.071 -0.535 -6.708 1.00 0.00 O ATOM 979 CB LYS A 60 10.775 2.248 -5.904 1.00 0.00 C ATOM 980 CG LYS A 60 10.491 1.908 -7.369 1.00 0.00 C ATOM 981 CD LYS A 60 11.181 2.932 -8.272 1.00 0.00 C ATOM 982 CE LYS A 60 11.668 2.244 -9.549 1.00 0.00 C ATOM 983 NZ LYS A 60 12.754 3.055 -10.167 1.00 0.00 N ATOM 0 H LYS A 60 12.077 2.133 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 60 10.193 0.331 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.916 2.758 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.620 2.933 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.851 0.905 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.417 1.911 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.489 3.737 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.022 3.386 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.033 1.243 -9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.842 2.129 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.085 2.588 -11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.391 4.001 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.545 3.143 -9.498 1.00 0.00 H new ATOM 1083 N ALA A 67 7.008 -0.682 -5.336 1.00 0.00 N ATOM 1084 CA ALA A 67 6.091 0.291 -4.696 1.00 0.00 C ATOM 1085 C ALA A 67 5.386 1.146 -5.750 1.00 0.00 C ATOM 1086 O ALA A 67 4.351 1.730 -5.495 1.00 0.00 O ATOM 1087 CB ALA A 67 6.899 1.191 -3.765 1.00 0.00 C ATOM 0 HA ALA A 67 5.333 -0.252 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.234 1.911 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.383 0.583 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.657 1.722 -4.340 1.00 0.00 H new ATOM 1093 N GLU A 68 5.933 1.234 -6.928 1.00 0.00 N ATOM 1094 CA GLU A 68 5.296 2.052 -7.983 1.00 0.00 C ATOM 1095 C GLU A 68 3.930 1.451 -8.353 1.00 0.00 C ATOM 1096 O GLU A 68 3.035 2.145 -8.791 1.00 0.00 O ATOM 1097 CB GLU A 68 6.253 2.108 -9.192 1.00 0.00 C ATOM 1098 CG GLU A 68 5.625 1.458 -10.425 1.00 0.00 C ATOM 1099 CD GLU A 68 6.465 1.782 -11.662 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.234 2.727 -11.600 1.00 0.00 O ATOM 1101 OE2 GLU A 68 6.326 1.080 -12.649 1.00 0.00 O ATOM 0 H GLU A 68 6.799 0.770 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 68 5.114 3.069 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.504 3.146 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.185 1.600 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.564 0.378 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.606 1.821 -10.560 1.00 0.00 H new ATOM 1108 N SER A 69 3.769 0.167 -8.184 1.00 0.00 N ATOM 1109 CA SER A 69 2.469 -0.477 -8.531 1.00 0.00 C ATOM 1110 C SER A 69 1.455 -0.271 -7.397 1.00 0.00 C ATOM 1111 O SER A 69 0.389 0.286 -7.594 1.00 0.00 O ATOM 1112 CB SER A 69 2.694 -1.973 -8.750 1.00 0.00 C ATOM 1113 OG SER A 69 1.800 -2.441 -9.751 1.00 0.00 O ATOM 0 H SER A 69 4.482 -0.465 -7.820 1.00 0.00 H new ATOM 0 HA SER A 69 2.076 -0.024 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.725 -2.157 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.533 -2.517 -7.819 1.00 0.00 H new ATOM 0 HG SER A 69 2.119 -2.157 -10.633 1.00 0.00 H new ATOM 1119 N VAL A 70 1.774 -0.716 -6.210 1.00 0.00 N ATOM 1120 CA VAL A 70 0.831 -0.549 -5.072 1.00 0.00 C ATOM 1121 C VAL A 70 0.428 0.915 -4.980 1.00 0.00 C ATOM 1122 O VAL A 70 -0.695 1.241 -4.660 1.00 0.00 O ATOM 1123 CB VAL A 70 1.519 -0.962 -3.775 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.561 -0.758 -2.602 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.922 -2.433 -3.857 1.00 0.00 C ATOM 0 H VAL A 70 2.649 -1.188 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.050 -1.171 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 70 2.409 -0.351 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.053 -1.053 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.276 0.293 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.330 -1.368 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.414 -2.728 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.033 -3.046 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.607 -2.577 -4.693 1.00 0.00 H new ATOM 1135 N LEU A 71 1.340 1.800 -5.264 1.00 0.00 N ATOM 1136 CA LEU A 71 1.014 3.248 -5.204 1.00 0.00 C ATOM 1137 C LEU A 71 0.029 3.577 -6.317 1.00 0.00 C ATOM 1138 O LEU A 71 -0.862 4.373 -6.148 1.00 0.00 O ATOM 1139 CB LEU A 71 2.278 4.061 -5.414 1.00 0.00 C ATOM 1140 CG LEU A 71 1.908 5.531 -5.618 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.230 6.069 -4.357 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.174 6.343 -5.902 1.00 0.00 C ATOM 0 H LEU A 71 2.299 1.582 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 71 0.581 3.486 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.938 3.957 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.824 3.688 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 71 1.224 5.617 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.967 7.117 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.327 5.493 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.912 5.981 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.910 7.390 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.859 6.255 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.656 5.962 -6.802 1.00 0.00 H new ATOM 1154 N GLN A 72 0.185 2.966 -7.456 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.755 3.240 -8.575 1.00 0.00 C ATOM 1156 C GLN A 72 -2.143 2.782 -8.144 1.00 0.00 C ATOM 1157 O GLN A 72 -3.148 3.346 -8.522 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.279 2.477 -9.831 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.330 1.465 -10.316 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.817 0.761 -11.573 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -1.240 1.068 -12.670 1.00 0.00 O ATOM 1162 NE2 GLN A 72 0.082 -0.178 -11.460 1.00 0.00 N ATOM 0 H GLN A 72 0.921 2.290 -7.660 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.787 4.302 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.064 3.188 -10.629 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.652 1.956 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.534 0.734 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.270 1.974 -10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.437 -0.436 -10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.430 -0.654 -12.292 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.187 1.753 -7.357 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.481 1.224 -6.884 1.00 0.00 C ATOM 1173 C VAL A 73 -4.005 2.094 -5.742 1.00 0.00 C ATOM 1174 O VAL A 73 -5.194 2.228 -5.550 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.264 -0.198 -6.389 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.512 -0.694 -5.660 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -2.946 -1.101 -7.587 1.00 0.00 C ATOM 0 H VAL A 73 -1.367 1.250 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.210 1.232 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.428 -0.222 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.348 -1.713 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.718 -0.046 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.362 -0.678 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.789 -2.123 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.779 -1.080 -8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.044 -0.743 -8.083 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.131 2.678 -4.973 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.600 3.532 -3.844 1.00 0.00 C ATOM 1189 C PHE A 74 -4.103 4.872 -4.394 1.00 0.00 C ATOM 1190 O PHE A 74 -5.061 5.438 -3.907 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.445 3.765 -2.865 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.585 2.818 -1.700 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.642 2.974 -0.798 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.661 1.780 -1.525 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.776 2.095 0.281 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.795 0.900 -0.444 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.853 1.059 0.459 1.00 0.00 C ATOM 0 H PHE A 74 -2.119 2.603 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.415 3.033 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.490 3.606 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.453 4.797 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.355 3.774 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.846 1.658 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.593 2.216 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.083 0.100 -0.307 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.957 0.381 1.294 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.467 5.369 -5.417 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.889 6.652 -6.030 1.00 0.00 C ATOM 1209 C ARG A 75 -5.050 6.387 -6.971 1.00 0.00 C ATOM 1210 O ARG A 75 -5.924 7.206 -7.142 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.729 7.233 -6.818 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.369 8.615 -6.270 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.881 9.690 -7.232 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.870 10.780 -7.353 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.176 11.150 -6.312 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.061 10.539 -6.018 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.599 12.132 -5.563 1.00 0.00 N ATOM 0 H ARG A 75 -2.659 4.930 -5.859 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.192 7.354 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.866 6.570 -6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.995 7.308 -7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.810 8.754 -5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.289 8.702 -6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.077 9.252 -8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.826 10.096 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.721 11.238 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.269 9.771 -6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.480 10.830 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.471 12.609 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.057 12.422 -4.749 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.060 5.233 -7.574 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.169 4.878 -8.492 1.00 0.00 C ATOM 1233 C GLU A 76 -7.415 4.715 -7.632 1.00 0.00 C ATOM 1234 O GLU A 76 -8.470 5.232 -7.934 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.834 3.560 -9.178 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.095 3.820 -10.492 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.095 3.825 -11.650 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.146 3.225 -11.502 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.791 4.429 -12.666 1.00 0.00 O ATOM 0 H GLU A 76 -4.341 4.517 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.325 5.641 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.218 2.946 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.749 3.000 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.573 4.776 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.339 3.052 -10.654 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.274 4.029 -6.528 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.414 3.864 -5.604 1.00 0.00 C ATOM 1248 C ALA A 77 -8.738 5.249 -5.065 1.00 0.00 C ATOM 1249 O ALA A 77 -9.884 5.621 -4.917 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.032 2.923 -4.454 1.00 0.00 C ATOM 0 H ALA A 77 -6.409 3.576 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.274 3.429 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.881 2.809 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.756 1.949 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.187 3.341 -3.907 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.724 6.040 -4.817 1.00 0.00 N ATOM 1257 CA LYS A 78 -7.973 7.423 -4.341 1.00 0.00 C ATOM 1258 C LYS A 78 -8.753 8.141 -5.432 1.00 0.00 C ATOM 1259 O LYS A 78 -9.538 9.036 -5.191 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.637 8.129 -4.163 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.661 8.975 -2.889 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.982 10.428 -3.247 1.00 0.00 C ATOM 1263 CE LYS A 78 -5.882 11.342 -2.704 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.360 12.198 -3.806 1.00 0.00 N ATOM 0 H LYS A 78 -6.742 5.784 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.519 7.419 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.833 7.395 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.432 8.762 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.407 8.587 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.697 8.918 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.060 10.538 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.947 10.713 -2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.275 11.965 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.075 10.745 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.612 12.820 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.970 11.595 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.133 12.777 -4.192 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.510 7.734 -6.641 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.177 8.336 -7.811 1.00 0.00 C ATOM 1280 C ALA A 79 -10.574 7.744 -7.953 1.00 0.00 C ATOM 1281 O ALA A 79 -11.458 8.322 -8.555 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.353 7.986 -9.044 1.00 0.00 C ATOM 0 H ALA A 79 -7.856 6.985 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.257 9.417 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.821 8.418 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.345 8.387 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.302 6.903 -9.152 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.761 6.576 -7.417 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.071 5.891 -7.515 1.00 0.00 C ATOM 1290 C GLU A 80 -13.066 6.440 -6.483 1.00 0.00 C ATOM 1291 O GLU A 80 -14.022 5.780 -6.128 1.00 0.00 O ATOM 1292 CB GLU A 80 -11.852 4.397 -7.283 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.544 3.729 -8.622 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.793 3.013 -9.138 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.577 2.565 -8.317 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.945 2.924 -10.345 1.00 0.00 O ATOM 0 H GLU A 80 -10.047 6.058 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.493 6.067 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.029 4.240 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.740 3.951 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.216 4.476 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.727 3.017 -8.505 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.866 7.641 -6.007 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.821 8.213 -5.016 1.00 0.00 C ATOM 1305 C GLY A 81 -13.345 7.914 -3.594 1.00 0.00 C ATOM 1306 O GLY A 81 -13.622 8.654 -2.672 1.00 0.00 O ATOM 0 H GLY A 81 -12.086 8.247 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.905 9.290 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.814 7.792 -5.171 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.634 6.837 -3.402 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.153 6.505 -2.036 1.00 0.00 C ATOM 1312 C CYS A 82 -11.364 7.690 -1.476 1.00 0.00 C ATOM 1313 O CYS A 82 -10.822 8.490 -2.213 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.253 5.274 -2.103 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.272 3.778 -2.083 1.00 0.00 S ATOM 0 H CYS A 82 -12.367 6.176 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.003 6.297 -1.386 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.648 5.302 -3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.563 5.268 -1.259 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.969 3.061 -1.042 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.299 7.814 -0.179 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.552 8.952 0.423 1.00 0.00 C ATOM 1323 C ASP A 83 -9.246 8.444 1.042 1.00 0.00 C ATOM 1324 O ASP A 83 -9.059 8.485 2.241 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.415 9.601 1.504 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.858 10.984 1.845 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.647 11.108 1.931 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.651 11.895 2.014 1.00 0.00 O ATOM 0 H ASP A 83 -11.731 7.176 0.489 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.318 9.685 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.445 9.688 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.431 8.974 2.396 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.341 7.971 0.229 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.044 7.467 0.764 1.00 0.00 C ATOM 1335 C ILE A 84 -6.004 8.592 0.713 1.00 0.00 C ATOM 1336 O ILE A 84 -5.246 8.701 -0.230 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.554 6.310 -0.100 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.442 5.096 0.122 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.116 5.965 0.283 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.807 4.507 -1.234 1.00 0.00 C ATOM 0 H ILE A 84 -8.444 7.912 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.183 7.131 1.792 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.593 6.599 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.924 4.354 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.343 5.380 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.764 5.138 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.478 6.834 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.079 5.676 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.444 3.634 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.340 5.253 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.899 4.211 -1.759 1.00 0.00 H new ATOM 1352 N THR A 85 -5.958 9.425 1.712 1.00 0.00 N ATOM 1353 CA THR A 85 -4.963 10.534 1.708 1.00 0.00 C ATOM 1354 C THR A 85 -3.582 9.972 1.361 1.00 0.00 C ATOM 1355 O THR A 85 -2.889 9.437 2.203 1.00 0.00 O ATOM 1356 CB THR A 85 -4.919 11.187 3.093 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.091 11.967 3.283 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.684 12.084 3.202 1.00 0.00 C ATOM 0 H THR A 85 -6.565 9.388 2.531 1.00 0.00 H new ATOM 0 HA THR A 85 -5.250 11.280 0.967 1.00 0.00 H new ATOM 0 HB THR A 85 -4.868 10.412 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.066 12.384 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.656 12.547 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.785 11.485 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.730 12.860 2.438 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.181 10.085 0.125 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.849 9.554 -0.280 1.00 0.00 C ATOM 1368 C ILE A 86 -0.743 10.441 0.297 1.00 0.00 C ATOM 1369 O ILE A 86 -0.677 11.623 0.024 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.752 9.546 -1.806 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.830 8.620 -2.378 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.370 9.047 -2.231 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.479 7.163 -2.068 1.00 0.00 C ATOM 0 H ILE A 86 -3.719 10.523 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.731 8.539 0.101 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.901 10.557 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.801 8.869 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.911 8.763 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.304 9.042 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.396 9.707 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.216 8.036 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.249 6.508 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.517 6.917 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.421 7.025 -0.988 1.00 0.00 H new ATOM 1385 N ILE A 87 0.128 9.879 1.091 1.00 0.00 N ATOM 1386 CA ILE A 87 1.230 10.689 1.683 1.00 0.00 C ATOM 1387 C ILE A 87 2.575 10.079 1.282 1.00 0.00 C ATOM 1388 O ILE A 87 3.005 9.087 1.832 1.00 0.00 O ATOM 1389 CB ILE A 87 1.096 10.684 3.207 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.148 11.478 3.610 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.333 11.325 3.838 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.581 11.067 5.019 1.00 0.00 C ATOM 0 H ILE A 87 0.124 8.894 1.355 1.00 0.00 H new ATOM 0 HA ILE A 87 1.174 11.714 1.318 1.00 0.00 H new ATOM 0 HB ILE A 87 1.005 9.656 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.064 12.547 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.956 11.294 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.232 11.319 4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.221 10.761 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.429 12.353 3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.467 11.632 5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.810 10.001 5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.226 11.274 5.722 1.00 0.00 H new ATOM 1404 N LEU A 88 3.243 10.662 0.326 1.00 0.00 N ATOM 1405 CA LEU A 88 4.557 10.106 -0.107 1.00 0.00 C ATOM 1406 C LEU A 88 5.684 11.051 0.312 1.00 0.00 C ATOM 1407 O LEU A 88 5.759 12.180 -0.130 1.00 0.00 O ATOM 1408 CB LEU A 88 4.561 9.945 -1.626 1.00 0.00 C ATOM 1409 CG LEU A 88 4.501 8.457 -1.970 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.071 8.076 -2.356 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.439 8.171 -3.141 1.00 0.00 C ATOM 0 H LEU A 88 2.938 11.497 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 88 4.712 9.136 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.709 10.467 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.460 10.393 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 88 4.808 7.871 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.031 7.015 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.402 8.281 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.760 8.660 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.399 7.110 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.130 8.758 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.458 8.440 -2.865 1.00 0.00 H new ATOM 1423 N SER A 89 6.564 10.595 1.163 1.00 0.00 N ATOM 1424 CA SER A 89 7.689 11.464 1.610 1.00 0.00 C ATOM 1425 C SER A 89 8.950 10.615 1.785 1.00 0.00 C ATOM 1426 O SER A 89 9.443 10.110 0.790 1.00 0.00 O ATOM 1427 CB SER A 89 7.328 12.120 2.943 1.00 0.00 C ATOM 1428 OG SER A 89 6.610 13.322 2.695 1.00 0.00 O ATOM 1429 OXT SER A 89 9.400 10.484 2.912 1.00 0.00 O ATOM 0 H SER A 89 6.552 9.659 1.567 1.00 0.00 H new ATOM 0 HA SER A 89 7.871 12.236 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.725 11.440 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.232 12.334 3.513 1.00 0.00 H new ATOM 0 HG SER A 89 6.191 13.276 1.810 1.00 0.00 H new