USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 888 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 MET CE :methyl -104:sc= -2.49! (180deg=-4.13!) USER MOD Set 2.2: A 78 GLN : amide:sc= -2.84! K(o=-5.3!,f=-6) USER MOD Set 3.1: A 25 MET CE :methyl -156:sc= -0.577 (180deg=-1.36!) USER MOD Set 3.2: A 28 GLN : amide:sc= -3.18! C(o=-11!,f=-17!) USER MOD Set 3.3: A 73 GLN :FLIP amide:sc= -0.204 F(o=-12,f=-11) USER MOD Set 3.4: A 83 GLN :FLIP amide:sc= -2.15 F(o=-14!,f=-11) USER MOD Set 3.5: A 87 MET CE :methyl -109:sc= -4.53! (180deg=-6.58!) USER MOD Set 4.1: A 23 MET CE :methyl -159:sc= -0.156 (180deg=0) USER MOD Set 4.2: A 27 GLN :FLIP amide:sc= -2.47 F(o=-8!,f=-3.4) USER MOD Set 4.3: A 45 HIS : no HD1:sc= -0.801 K(o=-3.4,f=-11!) USER MOD Set 5.1: A 12 MET CE :methyl 169:sc= -0.772 (180deg=-1.35) USER MOD Set 5.2: A 17 MET CE :methyl -131:sc= -3.37 (180deg=-6.6!) USER MOD Set 5.3: A 68 MET CE :methyl -156:sc= -0.428 (180deg=-2.03!) USER MOD Set 6.1: A 11 GLN :FLIP amide:sc= -2.21! C(o=-12!,f=-10!) USER MOD Set 6.2: A 15 GLN : amide:sc= -6.98 K(o=-10,f=-21!) USER MOD Set 6.3: A 56 MET CE :methyl -167:sc= -0.917 (180deg=-1.46) USER MOD Single : A 1 GLU N :NH3+ -153:sc= -0.634 (180deg=-2.06!) USER MOD Single : A 5 GLN : amide:sc= -0.475 K(o=-0.47,f=-2.8) USER MOD Single : A 13 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 19 SER OG : rot 85:sc= 0.3 USER MOD Single : A 20 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-1.7) USER MOD Single : A 24 TYR OH : rot -153:sc= -0.0601 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -6.1! C(o=-13!,f=-6.1!) USER MOD Single : A 36 THR OG1 : rot 44:sc= 0.254 USER MOD Single : A 37 MET CE :methyl 167:sc= -0.576 (180deg=-0.899) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -120:sc= -0.255 (180deg=-3.58!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.34 K(o=-1.3,f=-6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -164:sc= -0.756 (180deg=-1.59!) USER MOD Single : A 69 MET CE :methyl 135:sc= -0.0746 (180deg=-0.746) USER MOD Single : A 71 MET CE :methyl -139:sc= -0.389 (180deg=-1.13) USER MOD Single : A 72 MET CE :methyl -160:sc= -4.3 (180deg=-4.88!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.6 F(o=-4.2!,f=-1.6) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0247 (180deg=-0.326) USER MOD Single : A 77 MET CE :methyl -145:sc= -0.449 (180deg=-1.13) USER MOD Single : A 84 MET CE :methyl 177:sc= -2.81 (180deg=-2.95) USER MOD Single : A 88 MET CE :methyl 158:sc= -0.292 (180deg=-1.63!) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.178 F(o=-2,f=-0.18) USER MOD Single : A 96 SER OG : rot 65:sc= 0.677 USER MOD Single : A 99 ASN : amide:sc= -5.1! C(o=-5.1!,f=-7.3!) USER MOD Single : A 101 SER OG : rot 54:sc= 0.422 USER MOD Single : A 103 MET CE :methyl -140:sc= -0.142 (180deg=-1.04) USER MOD Single : A 107 MET CE :methyl 145:sc= -1.04 (180deg=-2.04!) USER MOD Single : A 110 SER OG : rot 90:sc= 0.516 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.434 44.694 -5.549 1.00 0.00 N ATOM 2 CA GLU A 1 0.427 43.947 -6.839 1.00 0.00 C ATOM 3 C GLU A 1 -0.312 44.768 -7.891 1.00 0.00 C ATOM 4 O GLU A 1 -0.683 45.918 -7.646 1.00 0.00 O ATOM 5 CB GLU A 1 -0.277 42.600 -6.648 1.00 0.00 C ATOM 6 CG GLU A 1 0.439 41.786 -5.562 1.00 0.00 C ATOM 7 CD GLU A 1 -0.033 42.201 -4.164 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.121 42.746 -4.055 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.704 41.964 -3.223 1.00 0.00 O ATOM 0 H1 GLU A 1 1.265 44.414 -4.990 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.474 45.716 -5.740 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.432 44.475 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 1 1.452 43.772 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -1.318 42.760 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.281 42.046 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.248 40.724 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.516 41.931 -5.644 1.00 0.00 H new ATOM 18 N ALA A 2 -0.529 44.169 -9.060 1.00 0.00 N ATOM 19 CA ALA A 2 -1.234 44.852 -10.140 1.00 0.00 C ATOM 20 C ALA A 2 -2.668 45.158 -9.724 1.00 0.00 C ATOM 21 O ALA A 2 -3.287 44.390 -8.988 1.00 0.00 O ATOM 22 CB ALA A 2 -1.241 43.977 -11.397 1.00 0.00 C ATOM 0 H ALA A 2 -0.229 43.220 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.718 45.788 -10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.769 44.495 -12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.215 43.779 -11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.744 43.034 -11.181 1.00 0.00 H new ATOM 28 N GLU A 3 -3.189 46.287 -10.193 1.00 0.00 N ATOM 29 CA GLU A 3 -4.552 46.688 -9.858 1.00 0.00 C ATOM 30 C GLU A 3 -5.565 45.673 -10.382 1.00 0.00 C ATOM 31 O GLU A 3 -6.658 45.534 -9.833 1.00 0.00 O ATOM 32 CB GLU A 3 -4.857 48.073 -10.443 1.00 0.00 C ATOM 33 CG GLU A 3 -4.982 47.994 -11.973 1.00 0.00 C ATOM 34 CD GLU A 3 -3.676 47.506 -12.596 1.00 0.00 C ATOM 35 OE1 GLU A 3 -2.658 48.140 -12.367 1.00 0.00 O ATOM 36 OE2 GLU A 3 -3.711 46.502 -13.290 1.00 0.00 O ATOM 0 H GLU A 3 -2.693 46.937 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.633 46.730 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.782 48.459 -10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.065 48.771 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.794 47.319 -12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.238 48.975 -12.373 1.00 0.00 H new ATOM 43 N ALA A 4 -5.193 44.968 -11.449 1.00 0.00 N ATOM 44 CA ALA A 4 -6.078 43.969 -12.041 1.00 0.00 C ATOM 45 C ALA A 4 -6.273 42.794 -11.100 1.00 0.00 C ATOM 46 O ALA A 4 -7.153 41.957 -11.307 1.00 0.00 O ATOM 47 CB ALA A 4 -5.510 43.483 -13.377 1.00 0.00 C ATOM 0 H ALA A 4 -4.293 45.069 -11.917 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.048 44.435 -12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.180 42.738 -13.808 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.417 44.326 -14.061 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.528 43.038 -13.215 1.00 0.00 H new ATOM 53 N GLN A 5 -5.456 42.750 -10.062 1.00 0.00 N ATOM 54 CA GLN A 5 -5.542 41.691 -9.070 1.00 0.00 C ATOM 55 C GLN A 5 -6.966 41.575 -8.533 1.00 0.00 C ATOM 56 O GLN A 5 -7.451 40.476 -8.260 1.00 0.00 O ATOM 57 CB GLN A 5 -4.590 42.012 -7.927 1.00 0.00 C ATOM 58 CG GLN A 5 -4.675 40.923 -6.853 1.00 0.00 C ATOM 59 CD GLN A 5 -3.677 41.205 -5.735 1.00 0.00 C ATOM 60 OE1 GLN A 5 -2.517 40.803 -5.823 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.060 41.874 -4.683 1.00 0.00 N ATOM 0 H GLN A 5 -4.723 43.437 -9.884 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.269 40.742 -9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.569 42.085 -8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.841 42.981 -7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.685 40.882 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.470 39.949 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.022 42.206 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.398 42.065 -3.931 1.00 0.00 H new ATOM 70 N GLU A 6 -7.626 42.721 -8.382 1.00 0.00 N ATOM 71 CA GLU A 6 -8.994 42.757 -7.876 1.00 0.00 C ATOM 72 C GLU A 6 -9.902 41.827 -8.680 1.00 0.00 C ATOM 73 O GLU A 6 -10.836 41.238 -8.135 1.00 0.00 O ATOM 74 CB GLU A 6 -9.532 44.191 -7.936 1.00 0.00 C ATOM 75 CG GLU A 6 -9.760 44.601 -9.396 1.00 0.00 C ATOM 76 CD GLU A 6 -10.095 46.088 -9.474 1.00 0.00 C ATOM 77 OE1 GLU A 6 -11.211 46.443 -9.128 1.00 0.00 O ATOM 78 OE2 GLU A 6 -9.233 46.850 -9.880 1.00 0.00 O ATOM 0 H GLU A 6 -7.235 43.637 -8.603 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.985 42.414 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.466 44.262 -7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.826 44.874 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.868 44.389 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.572 44.014 -9.825 1.00 0.00 H new ATOM 85 N GLU A 7 -9.612 41.692 -9.975 1.00 0.00 N ATOM 86 CA GLU A 7 -10.398 40.821 -10.838 1.00 0.00 C ATOM 87 C GLU A 7 -10.459 39.432 -10.232 1.00 0.00 C ATOM 88 O GLU A 7 -11.488 38.761 -10.283 1.00 0.00 O ATOM 89 CB GLU A 7 -9.761 40.745 -12.234 1.00 0.00 C ATOM 90 CG GLU A 7 -10.711 40.033 -13.213 1.00 0.00 C ATOM 91 CD GLU A 7 -10.670 38.516 -13.019 1.00 0.00 C ATOM 92 OE1 GLU A 7 -9.651 38.012 -12.576 1.00 0.00 O ATOM 93 OE2 GLU A 7 -11.660 37.877 -13.333 1.00 0.00 O ATOM 0 H GLU A 7 -8.844 42.173 -10.443 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.406 41.226 -10.930 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.540 41.749 -12.596 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.813 40.209 -12.181 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.729 40.394 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.433 40.279 -14.238 1.00 0.00 H new ATOM 100 N CYS A 8 -9.335 39.011 -9.665 1.00 0.00 N ATOM 101 CA CYS A 8 -9.248 37.697 -9.058 1.00 0.00 C ATOM 102 C CYS A 8 -10.135 37.607 -7.820 1.00 0.00 C ATOM 103 O CYS A 8 -10.964 36.705 -7.709 1.00 0.00 O ATOM 104 CB CYS A 8 -7.797 37.396 -8.678 1.00 0.00 C ATOM 105 SG CYS A 8 -6.734 37.668 -10.118 1.00 0.00 S ATOM 0 H CYS A 8 -8.477 39.560 -9.615 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.595 36.961 -9.783 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.484 38.037 -7.854 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.705 36.366 -8.333 1.00 0.00 H new ATOM 110 N ARG A 9 -9.955 38.548 -6.894 1.00 0.00 N ATOM 111 CA ARG A 9 -10.748 38.561 -5.668 1.00 0.00 C ATOM 112 C ARG A 9 -12.239 38.612 -5.995 1.00 0.00 C ATOM 113 O ARG A 9 -13.030 37.848 -5.441 1.00 0.00 O ATOM 114 CB ARG A 9 -10.363 39.771 -4.811 1.00 0.00 C ATOM 115 CG ARG A 9 -11.095 39.706 -3.466 1.00 0.00 C ATOM 116 CD ARG A 9 -10.715 40.918 -2.614 1.00 0.00 C ATOM 117 NE ARG A 9 -11.296 40.802 -1.279 1.00 0.00 N ATOM 118 CZ ARG A 9 -10.781 39.981 -0.366 1.00 0.00 C ATOM 119 NH1 ARG A 9 -9.734 39.254 -0.649 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.327 39.901 0.817 1.00 0.00 N ATOM 0 H ARG A 9 -9.274 39.304 -6.969 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.544 37.646 -5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.285 39.786 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.620 40.694 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.173 39.687 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.835 38.786 -2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.630 40.993 -2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.066 41.832 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.114 41.362 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.307 39.313 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.344 38.627 0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.146 40.467 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.935 39.273 1.518 1.00 0.00 H new ATOM 134 N GLU A 10 -12.610 39.513 -6.901 1.00 0.00 N ATOM 135 CA GLU A 10 -14.005 39.651 -7.303 1.00 0.00 C ATOM 136 C GLU A 10 -14.505 38.358 -7.942 1.00 0.00 C ATOM 137 O GLU A 10 -15.548 37.824 -7.559 1.00 0.00 O ATOM 138 CB GLU A 10 -14.145 40.804 -8.302 1.00 0.00 C ATOM 139 CG GLU A 10 -15.622 40.998 -8.670 1.00 0.00 C ATOM 140 CD GLU A 10 -15.832 40.739 -10.160 1.00 0.00 C ATOM 141 OE1 GLU A 10 -15.497 39.653 -10.607 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.329 41.627 -10.832 1.00 0.00 O ATOM 0 H GLU A 10 -11.968 40.154 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.604 39.862 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.745 41.722 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.562 40.593 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.242 40.320 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.936 42.012 -8.422 1.00 0.00 H new ATOM 149 N GLN A 11 -13.747 37.868 -8.918 1.00 0.00 N ATOM 150 CA GLN A 11 -14.099 36.640 -9.622 1.00 0.00 C ATOM 151 C GLN A 11 -14.208 35.470 -8.647 1.00 0.00 C ATOM 152 O GLN A 11 -15.036 34.576 -8.826 1.00 0.00 O ATOM 153 CB GLN A 11 -13.039 36.330 -10.683 1.00 0.00 C ATOM 154 CG GLN A 11 -13.569 35.269 -11.652 1.00 0.00 C ATOM 155 CD GLN A 11 -12.456 34.808 -12.594 1.00 0.00 C ATOM 156 OE1 GLN A 11 -12.707 33.881 -13.477 1.00 0.00 O flip ATOM 157 NE2 GLN A 11 -11.331 35.303 -12.525 1.00 0.00 N flip ATOM 0 H GLN A 11 -12.883 38.304 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.067 36.782 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.781 37.238 -11.229 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.126 35.975 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.958 34.418 -11.093 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.399 35.676 -12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.134 36.028 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.596 34.988 -13.158 1.00 0.00 H new ATOM 166 N MET A 12 -13.355 35.476 -7.623 1.00 0.00 N ATOM 167 CA MET A 12 -13.350 34.406 -6.631 1.00 0.00 C ATOM 168 C MET A 12 -14.754 34.146 -6.091 1.00 0.00 C ATOM 169 O MET A 12 -15.136 32.995 -5.881 1.00 0.00 O ATOM 170 CB MET A 12 -12.410 34.761 -5.474 1.00 0.00 C ATOM 171 CG MET A 12 -12.232 33.541 -4.564 1.00 0.00 C ATOM 172 SD MET A 12 -11.353 32.239 -5.466 1.00 0.00 S ATOM 173 CE MET A 12 -9.969 32.050 -4.316 1.00 0.00 C ATOM 0 H MET A 12 -12.662 36.207 -7.461 1.00 0.00 H new ATOM 0 HA MET A 12 -12.996 33.499 -7.121 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.443 35.082 -5.863 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.817 35.596 -4.904 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.674 33.819 -3.670 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.204 33.176 -4.233 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.399 31.158 -4.576 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.322 32.925 -4.378 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.351 31.952 -3.300 1.00 0.00 H new ATOM 183 N GLN A 13 -15.524 35.213 -5.873 1.00 0.00 N ATOM 184 CA GLN A 13 -16.883 35.056 -5.365 1.00 0.00 C ATOM 185 C GLN A 13 -17.676 34.134 -6.281 1.00 0.00 C ATOM 186 O GLN A 13 -18.321 33.198 -5.820 1.00 0.00 O ATOM 187 CB GLN A 13 -17.581 36.417 -5.271 1.00 0.00 C ATOM 188 CG GLN A 13 -18.955 36.250 -4.612 1.00 0.00 C ATOM 189 CD GLN A 13 -18.792 35.957 -3.123 1.00 0.00 C ATOM 190 OE1 GLN A 13 -19.152 34.876 -2.659 1.00 0.00 O ATOM 191 NE2 GLN A 13 -18.265 36.862 -2.343 1.00 0.00 N ATOM 0 H GLN A 13 -15.235 36.177 -6.037 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.832 34.618 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.971 37.110 -4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.694 36.848 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.545 37.156 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.501 35.438 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.967 37.758 -2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.151 36.673 -1.347 1.00 0.00 H new ATOM 200 N ARG A 14 -17.589 34.387 -7.585 1.00 0.00 N ATOM 201 CA ARG A 14 -18.254 33.565 -8.567 1.00 0.00 C ATOM 202 C ARG A 14 -17.744 32.148 -8.434 1.00 0.00 C ATOM 203 O ARG A 14 -18.511 31.185 -8.471 1.00 0.00 O ATOM 204 CB ARG A 14 -17.958 34.108 -9.963 1.00 0.00 C ATOM 205 CG ARG A 14 -18.768 33.345 -11.006 1.00 0.00 C ATOM 206 CD ARG A 14 -18.508 33.962 -12.378 1.00 0.00 C ATOM 207 NE ARG A 14 -17.158 33.638 -12.835 1.00 0.00 N ATOM 208 CZ ARG A 14 -16.866 32.450 -13.363 1.00 0.00 C ATOM 209 NH1 ARG A 14 -17.793 31.538 -13.488 1.00 0.00 N ATOM 210 NH2 ARG A 14 -15.648 32.197 -13.758 1.00 0.00 N ATOM 0 H ARG A 14 -17.058 35.164 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.332 33.578 -8.409 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.201 35.170 -10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.894 34.016 -10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.487 32.292 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.830 33.391 -10.767 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -19.240 33.591 -13.095 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.632 35.044 -12.327 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.422 34.338 -12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.746 31.734 -13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.564 30.630 -13.893 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.923 32.908 -13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.421 31.288 -14.163 1.00 0.00 H new ATOM 224 N GLN A 15 -16.427 32.041 -8.261 1.00 0.00 N ATOM 225 CA GLN A 15 -15.801 30.753 -8.100 1.00 0.00 C ATOM 226 C GLN A 15 -16.063 30.242 -6.692 1.00 0.00 C ATOM 227 O GLN A 15 -15.186 30.270 -5.826 1.00 0.00 O ATOM 228 CB GLN A 15 -14.294 30.873 -8.356 1.00 0.00 C ATOM 229 CG GLN A 15 -14.000 30.596 -9.834 1.00 0.00 C ATOM 230 CD GLN A 15 -14.098 31.879 -10.646 1.00 0.00 C ATOM 231 OE1 GLN A 15 -13.080 32.408 -11.088 1.00 0.00 O ATOM 232 NE2 GLN A 15 -15.268 32.408 -10.871 1.00 0.00 N ATOM 0 H GLN A 15 -15.786 32.833 -8.231 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.218 30.047 -8.818 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.947 31.871 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.751 30.167 -7.728 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.003 30.168 -9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.705 29.860 -10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.108 31.964 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.343 33.266 -11.417 1.00 0.00 H new ATOM 241 N GLN A 16 -17.280 29.775 -6.482 1.00 0.00 N ATOM 242 CA GLN A 16 -17.685 29.246 -5.184 1.00 0.00 C ATOM 243 C GLN A 16 -17.275 27.782 -5.063 1.00 0.00 C ATOM 244 O GLN A 16 -18.024 26.949 -4.549 1.00 0.00 O ATOM 245 CB GLN A 16 -19.198 29.402 -5.010 1.00 0.00 C ATOM 246 CG GLN A 16 -19.548 30.888 -5.104 1.00 0.00 C ATOM 247 CD GLN A 16 -21.040 31.121 -4.895 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.831 30.176 -4.894 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.471 32.341 -4.718 1.00 0.00 N ATOM 0 H GLN A 16 -18.010 29.750 -7.194 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.185 29.807 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.727 28.839 -5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.512 28.999 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.983 31.445 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.251 31.273 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.812 33.120 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.466 32.515 -4.578 1.00 0.00 H new ATOM 258 N MET A 17 -16.076 27.482 -5.556 1.00 0.00 N ATOM 259 CA MET A 17 -15.550 26.119 -5.519 1.00 0.00 C ATOM 260 C MET A 17 -15.303 25.656 -4.088 1.00 0.00 C ATOM 261 O MET A 17 -15.177 24.457 -3.831 1.00 0.00 O ATOM 262 CB MET A 17 -14.249 26.037 -6.327 1.00 0.00 C ATOM 263 CG MET A 17 -13.028 26.005 -5.395 1.00 0.00 C ATOM 264 SD MET A 17 -11.624 26.787 -6.217 1.00 0.00 S ATOM 265 CE MET A 17 -12.245 28.485 -6.130 1.00 0.00 C ATOM 0 H MET A 17 -15.450 28.163 -5.986 1.00 0.00 H new ATOM 0 HA MET A 17 -16.296 25.459 -5.962 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.259 25.143 -6.951 1.00 0.00 H new ATOM 0 HB3 MET A 17 -14.178 26.893 -6.998 1.00 0.00 H new ATOM 0 HG2 MET A 17 -13.254 26.525 -4.464 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.783 24.975 -5.134 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.164 28.953 -7.111 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.289 28.475 -5.817 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.656 29.051 -5.409 1.00 0.00 H new ATOM 275 N LEU A 18 -15.215 26.608 -3.164 1.00 0.00 N ATOM 276 CA LEU A 18 -14.956 26.275 -1.771 1.00 0.00 C ATOM 277 C LEU A 18 -16.057 25.366 -1.216 1.00 0.00 C ATOM 278 O LEU A 18 -15.872 24.727 -0.183 1.00 0.00 O ATOM 279 CB LEU A 18 -14.844 27.548 -0.916 1.00 0.00 C ATOM 280 CG LEU A 18 -15.813 28.621 -1.423 1.00 0.00 C ATOM 281 CD1 LEU A 18 -17.204 28.013 -1.588 1.00 0.00 C ATOM 282 CD2 LEU A 18 -15.875 29.770 -0.413 1.00 0.00 C ATOM 0 H LEU A 18 -15.318 27.605 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.007 25.741 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.064 27.314 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.823 27.927 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.466 29.000 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.894 28.776 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.160 27.194 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.552 27.634 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.564 30.534 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.223 29.391 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.882 30.204 -0.294 1.00 0.00 H new ATOM 294 N SER A 19 -17.196 25.302 -1.912 1.00 0.00 N ATOM 295 CA SER A 19 -18.299 24.449 -1.475 1.00 0.00 C ATOM 296 C SER A 19 -17.903 22.987 -1.641 1.00 0.00 C ATOM 297 O SER A 19 -18.007 22.185 -0.707 1.00 0.00 O ATOM 298 CB SER A 19 -19.551 24.744 -2.302 1.00 0.00 C ATOM 299 OG SER A 19 -19.833 26.136 -2.245 1.00 0.00 O ATOM 0 H SER A 19 -17.375 25.825 -2.769 1.00 0.00 H new ATOM 0 HA SER A 19 -18.516 24.651 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.400 24.434 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.397 24.174 -1.919 1.00 0.00 H new ATOM 0 HG SER A 19 -19.310 26.604 -2.929 1.00 0.00 H new ATOM 305 N HIS A 20 -17.404 22.661 -2.833 1.00 0.00 N ATOM 306 CA HIS A 20 -16.950 21.307 -3.111 1.00 0.00 C ATOM 307 C HIS A 20 -15.751 21.036 -2.227 1.00 0.00 C ATOM 308 O HIS A 20 -15.567 19.934 -1.709 1.00 0.00 O ATOM 309 CB HIS A 20 -16.550 21.158 -4.586 1.00 0.00 C ATOM 310 CG HIS A 20 -17.362 22.098 -5.437 1.00 0.00 C ATOM 311 ND1 HIS A 20 -16.797 22.837 -6.464 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.692 22.444 -5.414 1.00 0.00 C ATOM 313 CE1 HIS A 20 -17.773 23.584 -7.011 1.00 0.00 C ATOM 314 NE2 HIS A 20 -18.948 23.384 -6.407 1.00 0.00 N ATOM 0 H HIS A 20 -17.306 23.312 -3.612 1.00 0.00 H new ATOM 0 HA HIS A 20 -17.753 20.597 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.488 21.371 -4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -16.708 20.130 -4.912 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.427 22.047 -4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.625 24.263 -7.838 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -19.841 23.826 -6.627 1.00 0.00 H new ATOM 322 N CYS A 21 -14.950 22.084 -2.049 1.00 0.00 N ATOM 323 CA CYS A 21 -13.770 22.011 -1.213 1.00 0.00 C ATOM 324 C CYS A 21 -14.180 21.671 0.217 1.00 0.00 C ATOM 325 O CYS A 21 -13.570 20.822 0.862 1.00 0.00 O ATOM 326 CB CYS A 21 -13.043 23.358 -1.243 1.00 0.00 C ATOM 327 SG CYS A 21 -12.395 23.668 -2.908 1.00 0.00 S ATOM 0 H CYS A 21 -15.104 22.996 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.102 21.235 -1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.726 24.157 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.228 23.358 -0.519 1.00 0.00 H new ATOM 332 N ARG A 22 -15.236 22.332 0.697 1.00 0.00 N ATOM 333 CA ARG A 22 -15.737 22.082 2.044 1.00 0.00 C ATOM 334 C ARG A 22 -16.076 20.607 2.192 1.00 0.00 C ATOM 335 O ARG A 22 -15.628 19.939 3.133 1.00 0.00 O ATOM 336 CB ARG A 22 -16.989 22.930 2.301 1.00 0.00 C ATOM 337 CG ARG A 22 -17.435 22.776 3.760 1.00 0.00 C ATOM 338 CD ARG A 22 -16.536 23.619 4.668 1.00 0.00 C ATOM 339 NE ARG A 22 -15.362 22.851 5.074 1.00 0.00 N ATOM 340 CZ ARG A 22 -14.321 23.437 5.659 1.00 0.00 C ATOM 341 NH1 ARG A 22 -14.340 24.719 5.902 1.00 0.00 N ATOM 342 NH2 ARG A 22 -13.279 22.728 5.995 1.00 0.00 N ATOM 0 H ARG A 22 -15.755 23.038 0.175 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.970 22.353 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.780 23.978 2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.792 22.620 1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.473 23.090 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.387 21.728 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.224 24.523 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.093 23.937 5.549 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.340 21.845 4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.155 25.275 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.540 25.165 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.263 21.725 5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.480 23.176 6.444 1.00 0.00 H new ATOM 356 N MET A 23 -16.850 20.096 1.233 1.00 0.00 N ATOM 357 CA MET A 23 -17.217 18.689 1.247 1.00 0.00 C ATOM 358 C MET A 23 -15.949 17.848 1.256 1.00 0.00 C ATOM 359 O MET A 23 -15.830 16.893 2.019 1.00 0.00 O ATOM 360 CB MET A 23 -18.061 18.349 0.015 1.00 0.00 C ATOM 361 CG MET A 23 -18.571 16.909 0.121 1.00 0.00 C ATOM 362 SD MET A 23 -19.464 16.471 -1.393 1.00 0.00 S ATOM 363 CE MET A 23 -20.052 14.846 -0.853 1.00 0.00 C ATOM 0 H MET A 23 -17.227 20.630 0.450 1.00 0.00 H new ATOM 0 HA MET A 23 -17.807 18.476 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.902 19.038 -0.063 1.00 0.00 H new ATOM 0 HB3 MET A 23 -17.466 18.469 -0.890 1.00 0.00 H new ATOM 0 HG2 MET A 23 -17.735 16.226 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.227 16.807 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.301 14.241 -1.725 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.271 14.349 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.938 14.968 -0.231 1.00 0.00 H new ATOM 373 N TYR A 24 -14.999 18.236 0.404 1.00 0.00 N ATOM 374 CA TYR A 24 -13.720 17.542 0.305 1.00 0.00 C ATOM 375 C TYR A 24 -13.019 17.496 1.661 1.00 0.00 C ATOM 376 O TYR A 24 -12.507 16.454 2.059 1.00 0.00 O ATOM 377 CB TYR A 24 -12.839 18.248 -0.740 1.00 0.00 C ATOM 378 CG TYR A 24 -11.387 18.242 -0.313 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.653 17.049 -0.329 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.776 19.435 0.094 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.309 17.051 0.064 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.433 19.436 0.484 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.700 18.245 0.470 1.00 0.00 C ATOM 384 OH TYR A 24 -7.374 18.250 0.851 1.00 0.00 O ATOM 0 H TYR A 24 -15.095 19.031 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.896 16.513 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.941 17.750 -1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.179 19.275 -0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.123 16.129 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.342 20.354 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.742 16.132 0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.962 20.356 0.796 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.218 18.984 1.481 1.00 0.00 H new ATOM 394 N MET A 25 -12.998 18.627 2.364 1.00 0.00 N ATOM 395 CA MET A 25 -12.352 18.692 3.674 1.00 0.00 C ATOM 396 C MET A 25 -12.951 17.660 4.624 1.00 0.00 C ATOM 397 O MET A 25 -12.237 16.819 5.180 1.00 0.00 O ATOM 398 CB MET A 25 -12.538 20.084 4.276 1.00 0.00 C ATOM 399 CG MET A 25 -11.749 21.117 3.466 1.00 0.00 C ATOM 400 SD MET A 25 -9.974 20.802 3.637 1.00 0.00 S ATOM 401 CE MET A 25 -9.832 21.221 5.393 1.00 0.00 C ATOM 0 H MET A 25 -13.417 19.503 2.052 1.00 0.00 H new ATOM 0 HA MET A 25 -11.291 18.481 3.540 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.596 20.347 4.284 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.201 20.089 5.313 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.037 21.067 2.416 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.985 22.123 3.814 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.805 21.510 5.616 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.501 22.050 5.624 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.105 20.355 5.997 1.00 0.00 H new ATOM 411 N ARG A 26 -14.270 17.721 4.802 1.00 0.00 N ATOM 412 CA ARG A 26 -14.944 16.775 5.684 1.00 0.00 C ATOM 413 C ARG A 26 -14.700 15.351 5.201 1.00 0.00 C ATOM 414 O ARG A 26 -14.328 14.461 5.978 1.00 0.00 O ATOM 415 CB ARG A 26 -16.448 17.064 5.713 1.00 0.00 C ATOM 416 CG ARG A 26 -17.137 16.098 6.681 1.00 0.00 C ATOM 417 CD ARG A 26 -18.650 16.325 6.645 1.00 0.00 C ATOM 418 NE ARG A 26 -18.969 17.684 7.075 1.00 0.00 N ATOM 419 CZ ARG A 26 -20.177 18.209 6.881 1.00 0.00 C ATOM 420 NH1 ARG A 26 -21.109 17.511 6.288 1.00 0.00 N ATOM 421 NH2 ARG A 26 -20.431 19.424 7.282 1.00 0.00 N ATOM 0 H ARG A 26 -14.882 18.403 4.355 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.543 16.884 6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.625 18.094 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -16.869 16.955 4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.907 15.068 6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.760 16.251 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.026 16.158 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.148 15.605 7.294 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.250 18.243 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -20.912 16.561 5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -22.034 17.916 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.704 19.971 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -21.356 19.827 7.134 1.00 0.00 H new ATOM 435 N GLN A 27 -14.883 15.155 3.900 1.00 0.00 N ATOM 436 CA GLN A 27 -14.661 13.858 3.299 1.00 0.00 C ATOM 437 C GLN A 27 -13.235 13.418 3.586 1.00 0.00 C ATOM 438 O GLN A 27 -12.973 12.234 3.789 1.00 0.00 O ATOM 439 CB GLN A 27 -14.959 13.924 1.783 1.00 0.00 C ATOM 440 CG GLN A 27 -13.703 13.666 0.941 1.00 0.00 C ATOM 441 CD GLN A 27 -13.531 12.172 0.705 1.00 0.00 C ATOM 442 OE1 GLN A 27 -12.685 11.507 1.433 1.00 0.00 O flip ATOM 443 NE2 GLN A 27 -14.192 11.596 -0.161 1.00 0.00 N flip ATOM 0 H GLN A 27 -15.184 15.880 3.248 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.336 13.117 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.723 13.188 1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.367 14.904 1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.782 14.186 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.826 14.065 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.855 12.122 -0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.076 10.593 -0.308 1.00 0.00 H new ATOM 452 N GLN A 28 -12.317 14.389 3.619 1.00 0.00 N ATOM 453 CA GLN A 28 -10.927 14.085 3.892 1.00 0.00 C ATOM 454 C GLN A 28 -10.778 13.523 5.296 1.00 0.00 C ATOM 455 O GLN A 28 -10.016 12.579 5.515 1.00 0.00 O ATOM 456 CB GLN A 28 -10.064 15.337 3.739 1.00 0.00 C ATOM 457 CG GLN A 28 -8.589 14.936 3.617 1.00 0.00 C ATOM 458 CD GLN A 28 -8.031 14.536 4.982 1.00 0.00 C ATOM 459 OE1 GLN A 28 -8.351 15.161 5.994 1.00 0.00 O ATOM 460 NE2 GLN A 28 -7.209 13.526 5.072 1.00 0.00 N ATOM 0 H GLN A 28 -12.517 15.377 3.461 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.591 13.338 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.373 15.898 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.203 15.993 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.488 14.106 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.012 15.767 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.944 13.008 4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.832 13.255 5.980 1.00 0.00 H new ATOM 469 N MET A 29 -11.514 14.100 6.248 1.00 0.00 N ATOM 470 CA MET A 29 -11.439 13.619 7.621 1.00 0.00 C ATOM 471 C MET A 29 -11.837 12.152 7.656 1.00 0.00 C ATOM 472 O MET A 29 -11.133 11.322 8.232 1.00 0.00 O ATOM 473 CB MET A 29 -12.366 14.429 8.532 1.00 0.00 C ATOM 474 CG MET A 29 -11.892 15.885 8.587 1.00 0.00 C ATOM 475 SD MET A 29 -12.740 16.759 9.931 1.00 0.00 S ATOM 476 CE MET A 29 -14.437 16.591 9.321 1.00 0.00 C ATOM 0 H MET A 29 -12.152 14.881 6.096 1.00 0.00 H new ATOM 0 HA MET A 29 -10.417 13.737 7.982 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.389 14.383 8.159 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.373 14.000 9.534 1.00 0.00 H new ATOM 0 HG2 MET A 29 -10.814 15.920 8.742 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.094 16.379 7.636 1.00 0.00 H new ATOM 0 HE1 MET A 29 -14.767 17.540 8.898 1.00 0.00 H new ATOM 0 HE2 MET A 29 -14.473 15.819 8.552 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.094 16.313 10.145 1.00 0.00 H new ATOM 486 N GLU A 30 -12.950 11.831 6.994 1.00 0.00 N ATOM 487 CA GLU A 30 -13.398 10.442 6.922 1.00 0.00 C ATOM 488 C GLU A 30 -12.398 9.610 6.118 1.00 0.00 C ATOM 489 O GLU A 30 -12.238 8.411 6.347 1.00 0.00 O ATOM 490 CB GLU A 30 -14.783 10.353 6.272 1.00 0.00 C ATOM 491 CG GLU A 30 -15.844 10.899 7.236 1.00 0.00 C ATOM 492 CD GLU A 30 -16.021 12.399 7.032 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.466 12.781 5.962 1.00 0.00 O ATOM 494 OE2 GLU A 30 -15.717 13.143 7.950 1.00 0.00 O ATOM 0 H GLU A 30 -13.547 12.501 6.509 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.462 10.049 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.796 10.922 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.009 9.318 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.793 10.388 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.548 10.697 8.266 1.00 0.00 H new ATOM 501 N GLU A 31 -11.747 10.270 5.161 1.00 0.00 N ATOM 502 CA GLU A 31 -10.769 9.620 4.286 1.00 0.00 C ATOM 503 C GLU A 31 -9.549 9.123 5.058 1.00 0.00 C ATOM 504 O GLU A 31 -8.666 8.502 4.473 1.00 0.00 O ATOM 505 CB GLU A 31 -10.311 10.599 3.203 1.00 0.00 C ATOM 506 CG GLU A 31 -10.159 9.859 1.868 1.00 0.00 C ATOM 507 CD GLU A 31 -9.664 10.808 0.773 1.00 0.00 C ATOM 508 OE1 GLU A 31 -9.658 12.008 1.002 1.00 0.00 O ATOM 509 OE2 GLU A 31 -9.303 10.318 -0.285 1.00 0.00 O ATOM 0 H GLU A 31 -11.880 11.263 4.970 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.259 8.757 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.034 11.408 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.362 11.054 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.458 9.032 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.116 9.427 1.576 1.00 0.00 H new ATOM 516 N SER A 32 -9.491 9.409 6.358 1.00 0.00 N ATOM 517 CA SER A 32 -8.353 8.991 7.182 1.00 0.00 C ATOM 518 C SER A 32 -7.892 7.585 6.803 1.00 0.00 C ATOM 519 O SER A 32 -6.712 7.256 6.928 1.00 0.00 O ATOM 520 CB SER A 32 -8.746 9.018 8.660 1.00 0.00 C ATOM 521 OG SER A 32 -9.762 8.052 8.893 1.00 0.00 O ATOM 0 H SER A 32 -10.212 9.925 6.862 1.00 0.00 H new ATOM 0 HA SER A 32 -7.531 9.685 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.877 8.806 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.102 10.011 8.936 1.00 0.00 H new ATOM 0 HG SER A 32 -10.015 8.065 9.840 1.00 0.00 H new ATOM 527 N THR A 33 -8.831 6.765 6.344 1.00 0.00 N ATOM 528 CA THR A 33 -8.524 5.400 5.929 1.00 0.00 C ATOM 529 C THR A 33 -7.871 5.348 4.534 1.00 0.00 C ATOM 530 O THR A 33 -6.774 4.812 4.367 1.00 0.00 O ATOM 531 CB THR A 33 -9.809 4.565 5.920 1.00 0.00 C ATOM 532 OG1 THR A 33 -10.434 4.650 7.193 1.00 0.00 O ATOM 533 CG2 THR A 33 -9.477 3.103 5.611 1.00 0.00 C ATOM 0 H THR A 33 -9.814 7.022 6.250 1.00 0.00 H new ATOM 0 HA THR A 33 -7.810 4.993 6.645 1.00 0.00 H new ATOM 0 HB THR A 33 -10.483 4.949 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.257 4.118 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.395 2.515 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.999 3.037 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.801 2.715 6.373 1.00 0.00 H new ATOM 541 N TYR A 34 -8.603 5.853 3.532 1.00 0.00 N ATOM 542 CA TYR A 34 -8.165 5.814 2.124 1.00 0.00 C ATOM 543 C TYR A 34 -7.531 7.118 1.611 1.00 0.00 C ATOM 544 O TYR A 34 -7.293 7.238 0.408 1.00 0.00 O ATOM 545 CB TYR A 34 -9.362 5.466 1.238 1.00 0.00 C ATOM 546 CG TYR A 34 -9.966 4.159 1.698 1.00 0.00 C ATOM 547 CD1 TYR A 34 -9.381 2.944 1.318 1.00 0.00 C ATOM 548 CD2 TYR A 34 -11.109 4.163 2.507 1.00 0.00 C ATOM 549 CE1 TYR A 34 -9.939 1.735 1.748 1.00 0.00 C ATOM 550 CE2 TYR A 34 -11.666 2.954 2.937 1.00 0.00 C ATOM 551 CZ TYR A 34 -11.082 1.739 2.557 1.00 0.00 C ATOM 552 OH TYR A 34 -11.631 0.546 2.982 1.00 0.00 O ATOM 0 H TYR A 34 -9.510 6.298 3.670 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.383 5.056 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.107 6.260 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.047 5.387 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.500 2.941 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.561 5.100 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.488 0.798 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.547 2.957 3.562 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.419 0.727 3.536 1.00 0.00 H new ATOM 562 N GLN A 35 -7.309 8.101 2.485 1.00 0.00 N ATOM 563 CA GLN A 35 -6.753 9.401 2.059 1.00 0.00 C ATOM 564 C GLN A 35 -5.783 9.275 0.891 1.00 0.00 C ATOM 565 O GLN A 35 -5.699 10.184 0.063 1.00 0.00 O ATOM 566 CB GLN A 35 -6.018 10.103 3.204 1.00 0.00 C ATOM 567 CG GLN A 35 -4.719 9.359 3.548 1.00 0.00 C ATOM 568 CD GLN A 35 -5.033 7.985 4.125 1.00 0.00 C ATOM 569 OE1 GLN A 35 -6.167 7.796 4.726 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -4.224 7.064 4.020 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.501 8.030 3.484 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.615 9.989 1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.791 11.131 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.661 10.148 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.105 9.254 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.139 9.939 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.334 7.219 3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.443 6.146 4.407 1.00 0.00 H new ATOM 579 N THR A 36 -5.048 8.169 0.816 1.00 0.00 N ATOM 580 CA THR A 36 -4.104 8.007 -0.279 1.00 0.00 C ATOM 581 C THR A 36 -4.856 8.087 -1.600 1.00 0.00 C ATOM 582 O THR A 36 -5.586 7.168 -1.973 1.00 0.00 O ATOM 583 CB THR A 36 -3.389 6.655 -0.166 1.00 0.00 C ATOM 584 OG1 THR A 36 -4.341 5.639 0.122 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.348 6.715 0.955 1.00 0.00 C ATOM 0 H THR A 36 -5.086 7.395 1.479 1.00 0.00 H new ATOM 0 HA THR A 36 -3.357 8.799 -0.233 1.00 0.00 H new ATOM 0 HB THR A 36 -2.890 6.429 -1.108 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.130 5.760 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.842 5.753 1.033 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.618 7.493 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.843 6.942 1.899 1.00 0.00 H new ATOM 593 N MET A 37 -4.680 9.209 -2.289 1.00 0.00 N ATOM 594 CA MET A 37 -5.351 9.439 -3.567 1.00 0.00 C ATOM 595 C MET A 37 -4.936 8.394 -4.604 1.00 0.00 C ATOM 596 O MET A 37 -3.776 8.348 -5.015 1.00 0.00 O ATOM 597 CB MET A 37 -5.015 10.841 -4.086 1.00 0.00 C ATOM 598 CG MET A 37 -5.020 11.843 -2.924 1.00 0.00 C ATOM 599 SD MET A 37 -5.510 13.473 -3.538 1.00 0.00 S ATOM 600 CE MET A 37 -3.896 13.965 -4.196 1.00 0.00 C ATOM 0 H MET A 37 -4.079 9.975 -1.985 1.00 0.00 H new ATOM 0 HA MET A 37 -6.426 9.355 -3.406 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.038 10.835 -4.568 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.741 11.143 -4.841 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.710 11.512 -2.147 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.030 11.896 -2.470 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.014 14.845 -4.828 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.223 14.198 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.479 13.148 -4.785 1.00 0.00 H new ATOM 610 N PRO A 38 -5.859 7.569 -5.039 1.00 0.00 N ATOM 611 CA PRO A 38 -5.591 6.517 -6.055 1.00 0.00 C ATOM 612 C PRO A 38 -5.768 7.041 -7.478 1.00 0.00 C ATOM 613 O PRO A 38 -6.662 7.846 -7.742 1.00 0.00 O ATOM 614 CB PRO A 38 -6.645 5.464 -5.731 1.00 0.00 C ATOM 615 CG PRO A 38 -7.817 6.237 -5.217 1.00 0.00 C ATOM 616 CD PRO A 38 -7.268 7.537 -4.609 1.00 0.00 C ATOM 0 HA PRO A 38 -4.568 6.144 -6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.911 4.886 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.281 4.757 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.518 6.454 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.360 5.661 -4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.815 8.408 -4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.353 7.536 -3.522 1.00 0.00 H new ATOM 624 N ARG A 39 -4.919 6.579 -8.389 1.00 0.00 N ATOM 625 CA ARG A 39 -5.004 7.010 -9.783 1.00 0.00 C ATOM 626 C ARG A 39 -6.327 6.566 -10.379 1.00 0.00 C ATOM 627 O ARG A 39 -6.961 7.302 -11.136 1.00 0.00 O ATOM 628 CB ARG A 39 -3.894 6.374 -10.610 1.00 0.00 C ATOM 629 CG ARG A 39 -2.536 6.620 -9.947 1.00 0.00 C ATOM 630 CD ARG A 39 -1.423 6.063 -10.839 1.00 0.00 C ATOM 631 NE ARG A 39 -0.143 6.098 -10.136 1.00 0.00 N ATOM 632 CZ ARG A 39 0.165 5.193 -9.209 1.00 0.00 C ATOM 633 NH1 ARG A 39 -0.683 4.247 -8.904 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.318 5.251 -8.602 1.00 0.00 N ATOM 0 H ARG A 39 -4.171 5.913 -8.193 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.912 8.096 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.071 5.303 -10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.896 6.791 -11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.387 7.688 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.505 6.142 -8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.658 5.039 -11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.357 6.647 -11.757 1.00 0.00 H new ATOM 0 HE ARG A 39 0.529 6.832 -10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.586 4.199 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.442 3.556 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.982 5.989 -8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.556 4.559 -7.892 1.00 0.00 H new ATOM 648 N ARG A 40 -6.724 5.341 -10.041 1.00 0.00 N ATOM 649 CA ARG A 40 -7.962 4.790 -10.561 1.00 0.00 C ATOM 650 C ARG A 40 -9.150 5.545 -10.007 1.00 0.00 C ATOM 651 O ARG A 40 -9.583 5.328 -8.874 1.00 0.00 O ATOM 652 CB ARG A 40 -8.073 3.306 -10.207 1.00 0.00 C ATOM 653 CG ARG A 40 -7.025 2.515 -10.994 1.00 0.00 C ATOM 654 CD ARG A 40 -7.437 2.421 -12.466 1.00 0.00 C ATOM 655 NE ARG A 40 -8.713 1.722 -12.594 1.00 0.00 N ATOM 656 CZ ARG A 40 -8.782 0.392 -12.585 1.00 0.00 C ATOM 657 NH1 ARG A 40 -7.698 -0.324 -12.451 1.00 0.00 N ATOM 658 NH2 ARG A 40 -9.939 -0.199 -12.708 1.00 0.00 N ATOM 0 H ARG A 40 -6.209 4.721 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.956 4.894 -11.646 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.923 3.164 -9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.072 2.939 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.053 3.000 -10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.920 1.515 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.519 3.421 -12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.669 1.895 -13.032 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.571 2.265 -12.693 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.792 0.135 -12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.757 -1.342 -12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.788 0.358 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.995 -1.217 -12.701 1.00 0.00 H new ATOM 672 N GLY A 41 -9.664 6.432 -10.837 1.00 0.00 N ATOM 673 CA GLY A 41 -10.818 7.247 -10.470 1.00 0.00 C ATOM 674 C GLY A 41 -10.520 8.105 -9.245 1.00 0.00 C ATOM 675 O GLY A 41 -10.912 7.765 -8.128 1.00 0.00 O ATOM 0 H GLY A 41 -9.303 6.611 -11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.095 7.888 -11.307 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.672 6.602 -10.266 1.00 0.00 H new ATOM 679 N MET A 42 -9.825 9.219 -9.465 1.00 0.00 N ATOM 680 CA MET A 42 -9.475 10.130 -8.376 1.00 0.00 C ATOM 681 C MET A 42 -10.730 10.602 -7.643 1.00 0.00 C ATOM 682 O MET A 42 -11.851 10.344 -8.083 1.00 0.00 O ATOM 683 CB MET A 42 -8.715 11.337 -8.934 1.00 0.00 C ATOM 684 CG MET A 42 -7.382 10.870 -9.523 1.00 0.00 C ATOM 685 SD MET A 42 -6.444 12.302 -10.109 1.00 0.00 S ATOM 686 CE MET A 42 -5.035 11.388 -10.787 1.00 0.00 C ATOM 0 H MET A 42 -9.494 9.512 -10.384 1.00 0.00 H new ATOM 0 HA MET A 42 -8.840 9.597 -7.668 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.310 11.833 -9.701 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.540 12.068 -8.144 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.809 10.330 -8.769 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.559 10.177 -10.345 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.316 12.089 -11.210 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.558 10.814 -9.993 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.382 10.710 -11.567 1.00 0.00 H new ATOM 696 N GLU A 43 -10.535 11.291 -6.519 1.00 0.00 N ATOM 697 CA GLU A 43 -11.661 11.784 -5.731 1.00 0.00 C ATOM 698 C GLU A 43 -12.394 12.902 -6.478 1.00 0.00 C ATOM 699 O GLU A 43 -11.804 13.936 -6.794 1.00 0.00 O ATOM 700 CB GLU A 43 -11.160 12.312 -4.385 1.00 0.00 C ATOM 701 CG GLU A 43 -12.348 12.530 -3.443 1.00 0.00 C ATOM 702 CD GLU A 43 -11.849 12.754 -2.020 1.00 0.00 C ATOM 703 OE1 GLU A 43 -11.511 11.778 -1.372 1.00 0.00 O ATOM 704 OE2 GLU A 43 -11.809 13.898 -1.598 1.00 0.00 O ATOM 0 H GLU A 43 -9.617 11.518 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.354 10.959 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.458 11.604 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.620 13.248 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.931 13.390 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.010 11.665 -3.473 1.00 0.00 H new ATOM 711 N PRO A 44 -13.661 12.711 -6.766 1.00 0.00 N ATOM 712 CA PRO A 44 -14.483 13.725 -7.492 1.00 0.00 C ATOM 713 C PRO A 44 -14.539 15.061 -6.755 1.00 0.00 C ATOM 714 O PRO A 44 -14.529 16.121 -7.378 1.00 0.00 O ATOM 715 CB PRO A 44 -15.881 13.095 -7.574 1.00 0.00 C ATOM 716 CG PRO A 44 -15.691 11.638 -7.307 1.00 0.00 C ATOM 717 CD PRO A 44 -14.446 11.511 -6.433 1.00 0.00 C ATOM 0 HA PRO A 44 -14.059 13.954 -8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.554 13.542 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.325 13.257 -8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.562 11.220 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.567 11.087 -8.239 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.702 11.481 -5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.894 10.597 -6.653 1.00 0.00 H new ATOM 725 N HIS A 45 -14.598 15.000 -5.425 1.00 0.00 N ATOM 726 CA HIS A 45 -14.655 16.216 -4.617 1.00 0.00 C ATOM 727 C HIS A 45 -13.505 17.145 -4.985 1.00 0.00 C ATOM 728 O HIS A 45 -13.700 18.346 -5.182 1.00 0.00 O ATOM 729 CB HIS A 45 -14.569 15.863 -3.128 1.00 0.00 C ATOM 730 CG HIS A 45 -15.719 14.971 -2.747 1.00 0.00 C ATOM 731 ND1 HIS A 45 -15.688 14.172 -1.616 1.00 0.00 N ATOM 732 CD2 HIS A 45 -16.937 14.737 -3.337 1.00 0.00 C ATOM 733 CE1 HIS A 45 -16.853 13.502 -1.558 1.00 0.00 C ATOM 734 NE2 HIS A 45 -17.651 13.810 -2.584 1.00 0.00 N ATOM 0 H HIS A 45 -14.607 14.132 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.601 16.720 -4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -13.624 15.362 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -14.588 16.773 -2.528 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.287 15.202 -4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.111 12.801 -0.778 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -18.584 13.444 -2.775 1.00 0.00 H new ATOM 742 N MET A 46 -12.308 16.573 -5.083 1.00 0.00 N ATOM 743 CA MET A 46 -11.123 17.346 -5.437 1.00 0.00 C ATOM 744 C MET A 46 -11.240 17.873 -6.864 1.00 0.00 C ATOM 745 O MET A 46 -10.868 19.013 -7.150 1.00 0.00 O ATOM 746 CB MET A 46 -9.880 16.458 -5.325 1.00 0.00 C ATOM 747 CG MET A 46 -9.714 15.981 -3.880 1.00 0.00 C ATOM 748 SD MET A 46 -8.186 15.021 -3.734 1.00 0.00 S ATOM 749 CE MET A 46 -8.477 14.370 -2.071 1.00 0.00 C ATOM 0 H MET A 46 -12.134 15.581 -4.923 1.00 0.00 H new ATOM 0 HA MET A 46 -11.037 18.190 -4.753 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.972 15.601 -5.992 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.996 17.013 -5.639 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.685 16.836 -3.204 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.569 15.372 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.676 14.696 -1.407 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.432 14.740 -1.697 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.499 13.281 -2.105 1.00 0.00 H new ATOM 759 N SER A 47 -11.756 17.027 -7.753 1.00 0.00 N ATOM 760 CA SER A 47 -11.921 17.394 -9.157 1.00 0.00 C ATOM 761 C SER A 47 -12.810 18.626 -9.308 1.00 0.00 C ATOM 762 O SER A 47 -12.546 19.491 -10.145 1.00 0.00 O ATOM 763 CB SER A 47 -12.535 16.225 -9.931 1.00 0.00 C ATOM 764 OG SER A 47 -11.772 15.050 -9.690 1.00 0.00 O ATOM 0 H SER A 47 -12.067 16.083 -7.526 1.00 0.00 H new ATOM 0 HA SER A 47 -10.936 17.629 -9.561 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.569 16.071 -9.621 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.552 16.449 -10.998 1.00 0.00 H new ATOM 0 HG SER A 47 -12.164 14.299 -10.183 1.00 0.00 H new ATOM 770 N GLU A 48 -13.868 18.698 -8.501 1.00 0.00 N ATOM 771 CA GLU A 48 -14.790 19.828 -8.567 1.00 0.00 C ATOM 772 C GLU A 48 -14.085 21.124 -8.186 1.00 0.00 C ATOM 773 O GLU A 48 -14.282 22.157 -8.827 1.00 0.00 O ATOM 774 CB GLU A 48 -15.976 19.593 -7.624 1.00 0.00 C ATOM 775 CG GLU A 48 -16.823 18.420 -8.131 1.00 0.00 C ATOM 776 CD GLU A 48 -17.273 18.670 -9.568 1.00 0.00 C ATOM 777 OE1 GLU A 48 -17.857 19.713 -9.815 1.00 0.00 O ATOM 778 OE2 GLU A 48 -17.030 17.813 -10.401 1.00 0.00 O ATOM 0 H GLU A 48 -14.105 17.995 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.151 19.914 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.615 19.383 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.587 20.494 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.245 17.497 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.693 18.287 -7.489 1.00 0.00 H new ATOM 785 N CYS A 49 -13.258 21.063 -7.146 1.00 0.00 N ATOM 786 CA CYS A 49 -12.524 22.241 -6.699 1.00 0.00 C ATOM 787 C CYS A 49 -11.469 22.638 -7.730 1.00 0.00 C ATOM 788 O CYS A 49 -11.413 23.788 -8.159 1.00 0.00 O ATOM 789 CB CYS A 49 -11.849 21.960 -5.351 1.00 0.00 C ATOM 790 SG CYS A 49 -13.064 22.115 -4.018 1.00 0.00 S ATOM 0 H CYS A 49 -13.081 20.219 -6.602 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.230 23.064 -6.584 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.419 20.958 -5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.028 22.659 -5.191 1.00 0.00 H new ATOM 795 N CYS A 50 -10.638 21.670 -8.119 1.00 0.00 N ATOM 796 CA CYS A 50 -9.571 21.908 -9.095 1.00 0.00 C ATOM 797 C CYS A 50 -10.099 22.539 -10.380 1.00 0.00 C ATOM 798 O CYS A 50 -9.445 23.397 -10.973 1.00 0.00 O ATOM 799 CB CYS A 50 -8.886 20.588 -9.445 1.00 0.00 C ATOM 800 SG CYS A 50 -7.364 20.924 -10.362 1.00 0.00 S ATOM 0 H CYS A 50 -10.683 20.712 -7.773 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.864 22.600 -8.637 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.660 20.031 -8.536 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -9.553 19.967 -10.042 1.00 0.00 H new ATOM 805 N GLU A 51 -11.269 22.092 -10.820 1.00 0.00 N ATOM 806 CA GLU A 51 -11.857 22.607 -12.050 1.00 0.00 C ATOM 807 C GLU A 51 -12.034 24.122 -11.989 1.00 0.00 C ATOM 808 O GLU A 51 -11.854 24.815 -12.990 1.00 0.00 O ATOM 809 CB GLU A 51 -13.214 21.937 -12.298 1.00 0.00 C ATOM 810 CG GLU A 51 -13.782 22.394 -13.649 1.00 0.00 C ATOM 811 CD GLU A 51 -12.903 21.899 -14.799 1.00 0.00 C ATOM 812 OE1 GLU A 51 -12.283 20.857 -14.650 1.00 0.00 O ATOM 813 OE2 GLU A 51 -12.867 22.570 -15.819 1.00 0.00 O ATOM 0 H GLU A 51 -11.826 21.380 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.178 22.377 -12.871 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.101 20.853 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.907 22.192 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.796 22.014 -13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.844 23.482 -13.674 1.00 0.00 H new ATOM 820 N GLN A 52 -12.402 24.630 -10.816 1.00 0.00 N ATOM 821 CA GLN A 52 -12.615 26.064 -10.654 1.00 0.00 C ATOM 822 C GLN A 52 -11.351 26.862 -10.990 1.00 0.00 C ATOM 823 O GLN A 52 -11.391 27.772 -11.819 1.00 0.00 O ATOM 824 CB GLN A 52 -13.050 26.369 -9.226 1.00 0.00 C ATOM 825 CG GLN A 52 -13.819 27.688 -9.218 1.00 0.00 C ATOM 826 CD GLN A 52 -15.299 27.434 -9.501 1.00 0.00 C ATOM 827 OE1 GLN A 52 -16.012 26.900 -8.651 1.00 0.00 O ATOM 828 NE2 GLN A 52 -15.804 27.785 -10.651 1.00 0.00 N ATOM 0 H GLN A 52 -12.557 24.077 -9.973 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.400 26.364 -11.349 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.677 25.564 -8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.180 26.435 -8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.704 28.179 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.408 28.362 -9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.212 28.227 -11.354 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.791 27.617 -10.847 1.00 0.00 H new ATOM 837 N LEU A 53 -10.231 26.508 -10.352 1.00 0.00 N ATOM 838 CA LEU A 53 -8.958 27.195 -10.610 1.00 0.00 C ATOM 839 C LEU A 53 -8.650 27.085 -12.081 1.00 0.00 C ATOM 840 O LEU A 53 -8.323 28.057 -12.763 1.00 0.00 O ATOM 841 CB LEU A 53 -7.810 26.515 -9.856 1.00 0.00 C ATOM 842 CG LEU A 53 -8.143 26.360 -8.370 1.00 0.00 C ATOM 843 CD1 LEU A 53 -8.817 27.631 -7.839 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.079 25.161 -8.204 1.00 0.00 C ATOM 0 H LEU A 53 -10.177 25.759 -9.661 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.050 28.231 -10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.614 25.535 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.899 27.102 -9.968 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.226 26.199 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.048 27.506 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.145 28.479 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.738 27.813 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.327 25.036 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.993 25.331 -8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.585 24.261 -8.570 1.00 0.00 H new ATOM 856 N GLU A 54 -8.780 25.858 -12.536 1.00 0.00 N ATOM 857 CA GLU A 54 -8.552 25.498 -13.909 1.00 0.00 C ATOM 858 C GLU A 54 -9.386 26.371 -14.848 1.00 0.00 C ATOM 859 O GLU A 54 -8.982 26.643 -15.979 1.00 0.00 O ATOM 860 CB GLU A 54 -8.889 24.015 -14.035 1.00 0.00 C ATOM 861 CG GLU A 54 -9.052 23.617 -15.508 1.00 0.00 C ATOM 862 CD GLU A 54 -7.727 23.776 -16.257 1.00 0.00 C ATOM 863 OE1 GLU A 54 -6.688 23.632 -15.633 1.00 0.00 O ATOM 864 OE2 GLU A 54 -7.774 24.034 -17.448 1.00 0.00 O ATOM 0 H GLU A 54 -9.053 25.071 -11.947 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.515 25.667 -14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.100 23.418 -13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.809 23.799 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.393 22.584 -15.576 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.817 24.237 -15.976 1.00 0.00 H new ATOM 871 N GLY A 55 -10.542 26.822 -14.360 1.00 0.00 N ATOM 872 CA GLY A 55 -11.420 27.683 -15.149 1.00 0.00 C ATOM 873 C GLY A 55 -11.167 29.159 -14.837 1.00 0.00 C ATOM 874 O GLY A 55 -11.633 30.044 -15.556 1.00 0.00 O ATOM 0 H GLY A 55 -10.890 26.606 -13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.257 27.499 -16.211 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.461 27.437 -14.939 1.00 0.00 H new ATOM 878 N MET A 56 -10.427 29.414 -13.757 1.00 0.00 N ATOM 879 CA MET A 56 -10.110 30.784 -13.343 1.00 0.00 C ATOM 880 C MET A 56 -8.866 31.299 -14.067 1.00 0.00 C ATOM 881 O MET A 56 -8.011 30.516 -14.483 1.00 0.00 O ATOM 882 CB MET A 56 -9.887 30.825 -11.825 1.00 0.00 C ATOM 883 CG MET A 56 -9.266 32.167 -11.421 1.00 0.00 C ATOM 884 SD MET A 56 -9.041 32.219 -9.626 1.00 0.00 S ATOM 885 CE MET A 56 -10.776 32.477 -9.186 1.00 0.00 C ATOM 0 H MET A 56 -10.036 28.691 -13.153 1.00 0.00 H new ATOM 0 HA MET A 56 -10.949 31.429 -13.606 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.835 30.683 -11.306 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.233 30.007 -11.523 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.307 32.300 -11.921 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.909 32.987 -11.741 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.846 32.769 -8.138 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.197 33.265 -9.811 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.333 31.553 -9.344 1.00 0.00 H new ATOM 895 N ASP A 57 -8.773 32.625 -14.207 1.00 0.00 N ATOM 896 CA ASP A 57 -7.627 33.241 -14.876 1.00 0.00 C ATOM 897 C ASP A 57 -6.317 32.746 -14.266 1.00 0.00 C ATOM 898 O ASP A 57 -6.222 32.557 -13.052 1.00 0.00 O ATOM 899 CB ASP A 57 -7.705 34.765 -14.740 1.00 0.00 C ATOM 900 CG ASP A 57 -8.978 35.298 -15.398 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.407 34.720 -16.384 1.00 0.00 O ATOM 902 OD2 ASP A 57 -9.511 36.277 -14.900 1.00 0.00 O ATOM 0 H ASP A 57 -9.472 33.286 -13.869 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.653 32.963 -15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.690 35.043 -13.686 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.831 35.222 -15.203 1.00 0.00 H new ATOM 907 N GLU A 58 -5.311 32.529 -15.112 1.00 0.00 N ATOM 908 CA GLU A 58 -4.017 32.051 -14.635 1.00 0.00 C ATOM 909 C GLU A 58 -3.435 32.973 -13.568 1.00 0.00 C ATOM 910 O GLU A 58 -3.039 32.519 -12.495 1.00 0.00 O ATOM 911 CB GLU A 58 -3.028 31.941 -15.793 1.00 0.00 C ATOM 912 CG GLU A 58 -1.657 31.564 -15.231 1.00 0.00 C ATOM 913 CD GLU A 58 -0.631 31.442 -16.355 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.790 30.560 -17.184 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.301 32.230 -16.370 1.00 0.00 O ATOM 0 H GLU A 58 -5.366 32.675 -16.120 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.180 31.068 -14.194 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.364 31.189 -16.507 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.969 32.887 -16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.332 32.318 -14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.726 30.620 -14.691 1.00 0.00 H new ATOM 922 N SER A 59 -3.381 34.266 -13.871 1.00 0.00 N ATOM 923 CA SER A 59 -2.841 35.236 -12.925 1.00 0.00 C ATOM 924 C SER A 59 -3.563 35.119 -11.591 1.00 0.00 C ATOM 925 O SER A 59 -2.970 35.291 -10.525 1.00 0.00 O ATOM 926 CB SER A 59 -3.016 36.651 -13.478 1.00 0.00 C ATOM 927 OG SER A 59 -2.296 36.771 -14.698 1.00 0.00 O ATOM 0 H SER A 59 -3.701 34.663 -14.754 1.00 0.00 H new ATOM 0 HA SER A 59 -1.780 35.033 -12.778 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.073 36.861 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.655 37.383 -12.756 1.00 0.00 H new ATOM 0 HG SER A 59 -2.408 37.676 -15.056 1.00 0.00 H new ATOM 933 N CYS A 60 -4.850 34.818 -11.674 1.00 0.00 N ATOM 934 CA CYS A 60 -5.688 34.662 -10.491 1.00 0.00 C ATOM 935 C CYS A 60 -5.426 33.325 -9.804 1.00 0.00 C ATOM 936 O CYS A 60 -5.691 33.168 -8.614 1.00 0.00 O ATOM 937 CB CYS A 60 -7.163 34.774 -10.875 1.00 0.00 C ATOM 938 SG CYS A 60 -7.481 36.429 -11.529 1.00 0.00 S ATOM 0 H CYS A 60 -5.342 34.675 -12.556 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.438 35.458 -9.790 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.416 34.020 -11.621 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.793 34.586 -10.006 1.00 0.00 H new ATOM 943 N ARG A 61 -4.932 32.359 -10.574 1.00 0.00 N ATOM 944 CA ARG A 61 -4.666 31.025 -10.045 1.00 0.00 C ATOM 945 C ARG A 61 -3.646 31.072 -8.908 1.00 0.00 C ATOM 946 O ARG A 61 -3.814 30.389 -7.896 1.00 0.00 O ATOM 947 CB ARG A 61 -4.134 30.129 -11.168 1.00 0.00 C ATOM 948 CG ARG A 61 -4.063 28.674 -10.692 1.00 0.00 C ATOM 949 CD ARG A 61 -3.384 27.820 -11.766 1.00 0.00 C ATOM 950 NE ARG A 61 -4.072 27.976 -13.045 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.205 27.332 -13.309 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.725 26.526 -12.423 1.00 0.00 N ATOM 953 NH2 ARG A 61 -5.797 27.507 -14.459 1.00 0.00 N ATOM 0 H ARG A 61 -4.709 32.474 -11.563 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.599 30.622 -9.651 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.783 30.203 -12.041 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.145 30.468 -11.476 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.506 28.612 -9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.066 28.296 -10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.340 28.115 -11.868 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.392 26.772 -11.466 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.674 28.594 -13.752 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.262 26.389 -11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.594 26.034 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.390 28.136 -15.151 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.666 27.015 -14.665 1.00 0.00 H new ATOM 967 N CYS A 62 -2.595 31.876 -9.069 1.00 0.00 N ATOM 968 CA CYS A 62 -1.575 31.982 -8.029 1.00 0.00 C ATOM 969 C CYS A 62 -2.214 32.433 -6.715 1.00 0.00 C ATOM 970 O CYS A 62 -2.169 31.722 -5.710 1.00 0.00 O ATOM 971 CB CYS A 62 -0.503 32.997 -8.447 1.00 0.00 C ATOM 972 SG CYS A 62 0.033 32.666 -10.145 1.00 0.00 S ATOM 0 H CYS A 62 -2.430 32.453 -9.894 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.113 31.004 -7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.900 34.009 -8.373 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.349 32.938 -7.770 1.00 0.00 H new ATOM 977 N GLU A 63 -2.821 33.617 -6.749 1.00 0.00 N ATOM 978 CA GLU A 63 -3.493 34.178 -5.578 1.00 0.00 C ATOM 979 C GLU A 63 -4.657 33.297 -5.125 1.00 0.00 C ATOM 980 O GLU A 63 -4.936 33.183 -3.930 1.00 0.00 O ATOM 981 CB GLU A 63 -4.017 35.577 -5.914 1.00 0.00 C ATOM 982 CG GLU A 63 -4.606 36.231 -4.656 1.00 0.00 C ATOM 983 CD GLU A 63 -5.232 37.586 -4.994 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.267 37.936 -6.165 1.00 0.00 O ATOM 985 OE2 GLU A 63 -5.670 38.256 -4.073 1.00 0.00 O ATOM 0 H GLU A 63 -2.862 34.209 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.769 34.230 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.209 36.192 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.778 35.513 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.359 35.576 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.824 36.362 -3.908 1.00 0.00 H new ATOM 992 N GLY A 64 -5.354 32.713 -6.097 1.00 0.00 N ATOM 993 CA GLY A 64 -6.520 31.880 -5.820 1.00 0.00 C ATOM 994 C GLY A 64 -6.245 30.813 -4.765 1.00 0.00 C ATOM 995 O GLY A 64 -6.954 30.734 -3.764 1.00 0.00 O ATOM 0 H GLY A 64 -5.129 32.803 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.342 32.513 -5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.844 31.398 -6.742 1.00 0.00 H new ATOM 999 N LEU A 65 -5.233 29.984 -4.997 1.00 0.00 N ATOM 1000 CA LEU A 65 -4.909 28.918 -4.052 1.00 0.00 C ATOM 1001 C LEU A 65 -4.659 29.471 -2.652 1.00 0.00 C ATOM 1002 O LEU A 65 -5.239 28.988 -1.679 1.00 0.00 O ATOM 1003 CB LEU A 65 -3.682 28.141 -4.536 1.00 0.00 C ATOM 1004 CG LEU A 65 -3.998 27.476 -5.881 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -2.823 26.588 -6.303 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.264 26.618 -5.746 1.00 0.00 C ATOM 0 H LEU A 65 -4.630 30.026 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.765 28.245 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.831 28.813 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.403 27.386 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.160 28.246 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.049 26.116 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.924 27.197 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.659 25.819 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.487 26.146 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.103 25.849 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.101 27.249 -5.449 1.00 0.00 H new ATOM 1018 N ARG A 66 -3.804 30.485 -2.552 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.506 31.087 -1.255 1.00 0.00 C ATOM 1020 C ARG A 66 -4.785 31.616 -0.609 1.00 0.00 C ATOM 1021 O ARG A 66 -5.066 31.342 0.559 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.508 32.235 -1.427 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.175 31.686 -1.944 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.159 32.826 -2.051 1.00 0.00 C ATOM 1025 NE ARG A 66 0.205 33.305 -0.721 1.00 0.00 N ATOM 1026 CZ ARG A 66 0.988 34.368 -0.556 1.00 0.00 C ATOM 1027 NH1 ARG A 66 1.450 35.010 -1.595 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.292 34.771 0.647 1.00 0.00 N ATOM 0 H ARG A 66 -3.311 30.903 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.071 30.323 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.904 32.973 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.358 32.745 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.802 30.914 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.316 31.218 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.731 32.481 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.579 33.643 -2.637 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.149 32.814 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.211 34.697 -2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.050 35.825 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.930 34.271 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.892 35.586 0.775 1.00 0.00 H new ATOM 1042 N MET A 67 -5.553 32.371 -1.389 1.00 0.00 N ATOM 1043 CA MET A 67 -6.808 32.944 -0.915 1.00 0.00 C ATOM 1044 C MET A 67 -7.798 31.860 -0.499 1.00 0.00 C ATOM 1045 O MET A 67 -8.390 31.923 0.579 1.00 0.00 O ATOM 1046 CB MET A 67 -7.421 33.807 -2.024 1.00 0.00 C ATOM 1047 CG MET A 67 -8.890 34.101 -1.705 1.00 0.00 C ATOM 1048 SD MET A 67 -9.556 35.257 -2.932 1.00 0.00 S ATOM 1049 CE MET A 67 -8.563 36.697 -2.463 1.00 0.00 C ATOM 0 H MET A 67 -5.326 32.601 -2.357 1.00 0.00 H new ATOM 0 HA MET A 67 -6.595 33.555 -0.038 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.867 34.741 -2.118 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.344 33.292 -2.982 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.467 33.176 -1.711 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.978 34.525 -0.705 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.002 37.597 -2.893 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.543 36.787 -1.377 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.546 36.575 -2.836 1.00 0.00 H new ATOM 1059 N MET A 68 -7.982 30.879 -1.375 1.00 0.00 N ATOM 1060 CA MET A 68 -8.916 29.790 -1.118 1.00 0.00 C ATOM 1061 C MET A 68 -8.524 28.999 0.126 1.00 0.00 C ATOM 1062 O MET A 68 -9.375 28.684 0.957 1.00 0.00 O ATOM 1063 CB MET A 68 -8.958 28.867 -2.341 1.00 0.00 C ATOM 1064 CG MET A 68 -9.824 27.635 -2.057 1.00 0.00 C ATOM 1065 SD MET A 68 -11.216 27.595 -3.213 1.00 0.00 S ATOM 1066 CE MET A 68 -12.073 29.068 -2.601 1.00 0.00 C ATOM 0 H MET A 68 -7.496 30.816 -2.270 1.00 0.00 H new ATOM 0 HA MET A 68 -9.904 30.214 -0.938 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.357 29.409 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.947 28.555 -2.603 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.228 26.728 -2.157 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.191 27.664 -1.031 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.131 29.006 -2.856 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.964 29.129 -1.518 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.641 29.957 -3.060 1.00 0.00 H new ATOM 1076 N MET A 69 -7.239 28.681 0.254 1.00 0.00 N ATOM 1077 CA MET A 69 -6.767 27.923 1.411 1.00 0.00 C ATOM 1078 C MET A 69 -7.246 28.576 2.707 1.00 0.00 C ATOM 1079 O MET A 69 -7.931 27.947 3.514 1.00 0.00 O ATOM 1080 CB MET A 69 -5.237 27.854 1.400 1.00 0.00 C ATOM 1081 CG MET A 69 -4.755 26.912 2.508 1.00 0.00 C ATOM 1082 SD MET A 69 -2.946 26.934 2.577 1.00 0.00 S ATOM 1083 CE MET A 69 -2.763 28.563 3.348 1.00 0.00 C ATOM 0 H MET A 69 -6.514 28.932 -0.418 1.00 0.00 H new ATOM 0 HA MET A 69 -7.173 26.913 1.356 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.886 27.500 0.430 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.817 28.849 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.170 27.220 3.468 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.110 25.899 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.025 28.506 4.148 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.433 29.284 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.721 28.880 3.760 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.884 29.841 2.889 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.283 30.585 4.080 1.00 0.00 C ATOM 1095 C ARG A 70 -8.806 30.666 4.193 1.00 0.00 C ATOM 1096 O ARG A 70 -9.366 30.528 5.281 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.696 31.999 4.022 1.00 0.00 C ATOM 1098 CG ARG A 70 -7.009 32.747 5.321 1.00 0.00 C ATOM 1099 CD ARG A 70 -6.379 34.141 5.272 1.00 0.00 C ATOM 1100 NE ARG A 70 -7.041 34.958 4.259 1.00 0.00 N ATOM 1101 CZ ARG A 70 -6.513 36.106 3.841 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -5.384 36.532 4.340 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -7.129 36.809 2.930 1.00 0.00 N ATOM 0 H ARG A 70 -6.316 30.373 2.229 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.902 30.061 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.618 31.949 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.111 32.540 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.088 32.828 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.622 32.191 6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.462 34.620 6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.316 34.060 5.046 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.927 34.642 3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.903 35.984 5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.983 37.412 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.012 36.478 2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.727 37.689 2.607 1.00 0.00 H new ATOM 1117 N MET A 71 -9.462 30.903 3.059 1.00 0.00 N ATOM 1118 CA MET A 71 -10.915 31.018 3.023 1.00 0.00 C ATOM 1119 C MET A 71 -11.575 29.716 3.455 1.00 0.00 C ATOM 1120 O MET A 71 -12.603 29.727 4.132 1.00 0.00 O ATOM 1121 CB MET A 71 -11.369 31.383 1.606 1.00 0.00 C ATOM 1122 CG MET A 71 -12.857 31.750 1.615 1.00 0.00 C ATOM 1123 SD MET A 71 -13.428 32.009 -0.084 1.00 0.00 S ATOM 1124 CE MET A 71 -12.408 33.456 -0.459 1.00 0.00 C ATOM 0 H MET A 71 -9.008 31.019 2.153 1.00 0.00 H new ATOM 0 HA MET A 71 -11.216 31.802 3.718 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.781 32.220 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.196 30.544 0.932 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.435 30.955 2.087 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.016 32.653 2.205 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.997 34.181 -1.021 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.065 33.910 0.471 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.547 33.150 -1.053 1.00 0.00 H new ATOM 1134 N MET A 72 -10.986 28.597 3.049 1.00 0.00 N ATOM 1135 CA MET A 72 -11.540 27.297 3.390 1.00 0.00 C ATOM 1136 C MET A 72 -11.653 27.121 4.900 1.00 0.00 C ATOM 1137 O MET A 72 -12.714 26.766 5.415 1.00 0.00 O ATOM 1138 CB MET A 72 -10.668 26.179 2.811 1.00 0.00 C ATOM 1139 CG MET A 72 -10.964 26.012 1.321 1.00 0.00 C ATOM 1140 SD MET A 72 -12.712 25.599 1.100 1.00 0.00 S ATOM 1141 CE MET A 72 -12.715 24.092 2.103 1.00 0.00 C ATOM 0 H MET A 72 -10.134 28.565 2.489 1.00 0.00 H new ATOM 0 HA MET A 72 -12.540 27.241 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.614 26.414 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.862 25.244 3.337 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.725 26.931 0.786 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.337 25.226 0.900 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.574 23.478 1.834 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.798 23.532 1.921 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.775 24.358 3.158 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.557 27.377 5.603 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.545 27.246 7.056 1.00 0.00 C ATOM 1153 C GLN A 73 -11.582 28.172 7.683 1.00 0.00 C ATOM 1154 O GLN A 73 -12.296 27.788 8.609 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.152 27.580 7.598 1.00 0.00 C ATOM 1156 CG GLN A 73 -8.115 26.656 6.955 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.586 25.208 7.032 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.957 24.600 5.941 1.00 0.00 O flip ATOM 1159 NE2 GLN A 73 -8.632 24.624 8.115 1.00 0.00 N flip ATOM 0 H GLN A 73 -9.671 27.674 5.195 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.794 26.217 7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.908 28.621 7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.135 27.464 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.958 26.941 5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.157 26.763 7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.340 25.104 8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.962 23.660 8.161 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.650 29.393 7.167 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.593 30.387 7.667 1.00 0.00 C ATOM 1170 C GLN A 74 -14.045 29.950 7.466 1.00 0.00 C ATOM 1171 O GLN A 74 -14.893 30.178 8.330 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.348 31.726 6.968 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.585 32.614 7.118 1.00 0.00 C ATOM 1174 CD GLN A 74 -14.370 32.632 5.813 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -14.239 31.640 4.977 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -15.123 33.569 5.552 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.062 29.720 6.400 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.429 30.493 8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.478 32.220 7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.130 31.563 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.215 32.242 7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.286 33.627 7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.222 34.342 6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.649 33.573 4.678 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.334 29.345 6.318 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.697 28.918 6.014 1.00 0.00 C ATOM 1187 C LYS A 75 -16.236 27.995 7.102 1.00 0.00 C ATOM 1188 O LYS A 75 -17.372 28.148 7.553 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.716 28.189 4.665 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.157 27.831 4.278 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.892 29.088 3.800 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.291 28.707 3.310 1.00 0.00 C ATOM 1193 NZ LYS A 75 -20.095 28.187 4.452 1.00 0.00 N ATOM 0 H LYS A 75 -13.651 29.140 5.589 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.333 29.802 5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.271 28.820 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.112 27.284 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.156 27.077 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.676 27.398 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.964 29.811 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.332 29.566 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.783 29.575 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.220 27.951 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.103 28.184 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.792 27.218 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.952 28.796 5.283 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.410 27.048 7.524 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.806 26.106 8.568 1.00 0.00 C ATOM 1209 C GLU A 76 -14.595 25.328 9.071 1.00 0.00 C ATOM 1210 O GLU A 76 -14.410 24.163 8.714 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.861 25.132 8.028 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.460 24.319 9.185 1.00 0.00 C ATOM 1213 CD GLU A 76 -18.293 25.217 10.101 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.822 26.208 9.617 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.397 24.897 11.273 1.00 0.00 O ATOM 0 H GLU A 76 -14.466 26.910 7.164 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.231 26.670 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.648 25.683 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.410 24.462 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.083 23.517 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.661 23.848 9.757 1.00 0.00 H new ATOM 1222 N MET A 77 -13.764 25.972 9.884 1.00 0.00 N ATOM 1223 CA MET A 77 -12.571 25.315 10.408 1.00 0.00 C ATOM 1224 C MET A 77 -12.926 24.011 11.118 1.00 0.00 C ATOM 1225 O MET A 77 -13.229 23.997 12.313 1.00 0.00 O ATOM 1226 CB MET A 77 -11.826 26.243 11.368 1.00 0.00 C ATOM 1227 CG MET A 77 -10.322 26.105 11.128 1.00 0.00 C ATOM 1228 SD MET A 77 -9.819 24.382 11.368 1.00 0.00 S ATOM 1229 CE MET A 77 -10.026 24.323 13.167 1.00 0.00 C ATOM 0 H MET A 77 -13.891 26.936 10.192 1.00 0.00 H new ATOM 0 HA MET A 77 -11.923 25.081 9.563 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.139 27.275 11.212 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.067 25.989 12.400 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.074 26.428 10.117 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.774 26.752 11.813 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.260 23.680 13.600 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.931 25.328 13.577 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.012 23.925 13.407 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.868 22.917 10.368 1.00 0.00 N ATOM 1240 CA GLN A 78 -13.161 21.594 10.918 1.00 0.00 C ATOM 1241 C GLN A 78 -12.222 21.304 12.085 1.00 0.00 C ATOM 1242 O GLN A 78 -11.095 21.796 12.105 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.991 20.517 9.839 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.465 21.058 8.485 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.751 19.906 7.526 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -13.019 18.916 7.504 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.779 19.978 6.724 1.00 0.00 N ATOM 0 H GLN A 78 -12.621 22.917 9.378 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.193 21.580 11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.945 20.216 9.775 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.563 19.628 10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.364 21.659 8.620 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.704 21.713 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.384 20.799 6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.977 19.214 6.078 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.638 20.518 13.047 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.787 20.181 14.203 1.00 0.00 C ATOM 1258 C PRO A 79 -11.016 18.895 13.952 1.00 0.00 C ATOM 1259 O PRO A 79 -11.585 17.802 13.935 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.813 19.996 15.311 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.999 19.404 14.620 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.945 19.863 13.153 1.00 0.00 C ATOM 0 HA PRO A 79 -11.030 20.932 14.428 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.439 19.337 16.094 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.062 20.945 15.786 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.978 18.316 14.684 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.924 19.734 15.093 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.029 19.021 12.466 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.758 20.549 12.917 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.722 19.045 13.768 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.843 17.911 13.526 1.00 0.00 C ATOM 1272 C ARG A 80 -7.403 18.412 13.447 1.00 0.00 C ATOM 1273 O ARG A 80 -7.115 19.346 12.697 1.00 0.00 O ATOM 1274 CB ARG A 80 -9.239 17.208 12.220 1.00 0.00 C ATOM 1275 CG ARG A 80 -8.844 15.729 12.280 1.00 0.00 C ATOM 1276 CD ARG A 80 -9.750 14.981 13.266 1.00 0.00 C ATOM 1277 NE ARG A 80 -9.350 13.579 13.349 1.00 0.00 N ATOM 1278 CZ ARG A 80 -9.582 12.728 12.348 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -10.189 13.133 11.265 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -9.202 11.484 12.454 1.00 0.00 N ATOM 0 H ARG A 80 -9.248 19.948 13.781 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.933 17.192 14.341 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -10.313 17.300 12.059 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.748 17.690 11.375 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.925 15.282 11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.803 15.635 12.588 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.689 15.444 14.251 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.789 15.053 12.944 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.883 13.243 14.191 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.488 14.104 11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.364 12.478 10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.729 11.165 13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.378 10.830 11.691 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.505 17.825 14.230 1.00 0.00 N ATOM 1295 CA GLY A 81 -5.117 18.279 14.226 1.00 0.00 C ATOM 1296 C GLY A 81 -4.242 17.532 13.218 1.00 0.00 C ATOM 1297 O GLY A 81 -3.838 18.091 12.199 1.00 0.00 O ATOM 0 H GLY A 81 -6.705 17.051 14.863 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.091 19.345 14.000 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.698 18.154 15.224 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.922 16.282 13.538 1.00 0.00 N ATOM 1302 CA GLU A 82 -3.051 15.464 12.692 1.00 0.00 C ATOM 1303 C GLU A 82 -3.607 15.224 11.286 1.00 0.00 C ATOM 1304 O GLU A 82 -2.854 15.242 10.312 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.802 14.112 13.369 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.983 14.317 14.651 1.00 0.00 C ATOM 1307 CD GLU A 82 -2.869 14.825 15.792 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -4.060 14.550 15.773 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -2.341 15.488 16.670 1.00 0.00 O ATOM 0 H GLU A 82 -4.253 15.810 14.379 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.123 16.024 12.574 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.752 13.633 13.606 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.270 13.447 12.689 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.513 13.377 14.941 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.180 15.030 14.464 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.906 14.958 11.180 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.505 14.667 9.877 1.00 0.00 C ATOM 1318 C GLN A 83 -5.317 15.819 8.891 1.00 0.00 C ATOM 1319 O GLN A 83 -4.646 15.665 7.868 1.00 0.00 O ATOM 1320 CB GLN A 83 -6.996 14.388 10.042 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.532 13.685 8.791 1.00 0.00 C ATOM 1322 CD GLN A 83 -7.059 12.235 8.763 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -6.358 11.806 7.749 1.00 0.00 O flip ATOM 1324 NE2 GLN A 83 -7.335 11.474 9.690 1.00 0.00 N flip ATOM 0 H GLN A 83 -5.557 14.937 11.965 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.998 13.790 9.475 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.164 13.765 10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.535 15.322 10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.621 13.721 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.189 14.205 7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.883 11.812 10.481 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.016 10.506 9.667 1.00 0.00 H new ATOM 1333 N MET A 84 -5.919 16.966 9.196 1.00 0.00 N ATOM 1334 CA MET A 84 -5.814 18.128 8.319 1.00 0.00 C ATOM 1335 C MET A 84 -4.366 18.575 8.151 1.00 0.00 C ATOM 1336 O MET A 84 -3.981 19.047 7.081 1.00 0.00 O ATOM 1337 CB MET A 84 -6.665 19.281 8.846 1.00 0.00 C ATOM 1338 CG MET A 84 -8.151 18.963 8.626 1.00 0.00 C ATOM 1339 SD MET A 84 -9.145 20.453 8.908 1.00 0.00 S ATOM 1340 CE MET A 84 -8.678 20.744 10.632 1.00 0.00 C ATOM 0 H MET A 84 -6.479 17.115 10.035 1.00 0.00 H new ATOM 0 HA MET A 84 -6.190 17.832 7.339 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.469 19.437 9.907 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.400 20.206 8.334 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.308 18.597 7.611 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.467 18.170 9.304 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.148 21.661 10.986 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.010 19.906 11.245 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.595 20.840 10.704 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.563 18.427 9.204 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.160 18.826 9.124 1.00 0.00 C ATOM 1352 C ARG A 85 -1.521 18.177 7.903 1.00 0.00 C ATOM 1353 O ARG A 85 -0.891 18.849 7.087 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.420 18.394 10.395 1.00 0.00 C ATOM 1355 CG ARG A 85 0.035 18.866 10.337 1.00 0.00 C ATOM 1356 CD ARG A 85 0.752 18.462 11.627 1.00 0.00 C ATOM 1357 NE ARG A 85 0.849 17.008 11.716 1.00 0.00 N ATOM 1358 CZ ARG A 85 0.891 16.383 12.892 1.00 0.00 C ATOM 1359 NH1 ARG A 85 0.853 17.068 14.004 1.00 0.00 N ATOM 1360 NH2 ARG A 85 0.972 15.082 12.933 1.00 0.00 N ATOM 0 H ARG A 85 -3.852 18.042 10.104 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.096 19.910 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.912 18.812 11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.456 17.309 10.496 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.538 18.426 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.073 19.948 10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.749 18.902 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.211 18.851 12.490 1.00 0.00 H new ATOM 0 HE ARG A 85 0.885 16.458 10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.791 18.086 13.974 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.885 16.585 14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.003 14.545 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.004 14.601 13.832 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.722 16.870 7.769 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.199 16.139 6.622 1.00 0.00 C ATOM 1376 C ARG A 86 -1.833 16.668 5.338 1.00 0.00 C ATOM 1377 O ARG A 86 -1.179 16.763 4.298 1.00 0.00 O ATOM 1378 CB ARG A 86 -1.506 14.646 6.769 1.00 0.00 C ATOM 1379 CG ARG A 86 -0.764 14.084 7.985 1.00 0.00 C ATOM 1380 CD ARG A 86 -1.077 12.592 8.132 1.00 0.00 C ATOM 1381 NE ARG A 86 -0.473 11.837 7.036 1.00 0.00 N ATOM 1382 CZ ARG A 86 -0.882 10.607 6.733 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -1.836 10.041 7.422 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -0.327 9.964 5.742 1.00 0.00 N ATOM 0 H ARG A 86 -2.240 16.299 8.436 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.119 16.280 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.579 14.495 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.204 14.112 5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.310 14.231 7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.063 14.619 8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.699 12.226 9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.156 12.439 8.137 1.00 0.00 H new ATOM 0 HE ARG A 86 0.278 12.262 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.272 10.542 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.146 9.098 7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.418 10.404 5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.638 9.021 5.508 1.00 0.00 H new ATOM 1398 N MET A 87 -3.123 16.995 5.430 1.00 0.00 N ATOM 1399 CA MET A 87 -3.874 17.502 4.285 1.00 0.00 C ATOM 1400 C MET A 87 -3.221 18.743 3.679 1.00 0.00 C ATOM 1401 O MET A 87 -3.411 19.026 2.499 1.00 0.00 O ATOM 1402 CB MET A 87 -5.311 17.844 4.682 1.00 0.00 C ATOM 1403 CG MET A 87 -6.157 18.015 3.415 1.00 0.00 C ATOM 1404 SD MET A 87 -7.513 19.171 3.735 1.00 0.00 S ATOM 1405 CE MET A 87 -8.485 18.114 4.835 1.00 0.00 C ATOM 0 H MET A 87 -3.669 16.917 6.288 1.00 0.00 H new ATOM 0 HA MET A 87 -3.877 16.708 3.539 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.726 17.053 5.307 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.330 18.760 5.272 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.536 18.385 2.599 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.556 17.051 3.100 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.391 17.790 4.322 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.895 17.241 5.116 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.755 18.673 5.731 1.00 0.00 H new ATOM 1415 N MET A 88 -2.472 19.498 4.481 1.00 0.00 N ATOM 1416 CA MET A 88 -1.836 20.707 3.971 1.00 0.00 C ATOM 1417 C MET A 88 -1.253 20.447 2.585 1.00 0.00 C ATOM 1418 O MET A 88 -1.634 21.100 1.612 1.00 0.00 O ATOM 1419 CB MET A 88 -0.733 21.142 4.933 1.00 0.00 C ATOM 1420 CG MET A 88 -1.361 21.611 6.249 1.00 0.00 C ATOM 1421 SD MET A 88 -0.089 21.688 7.534 1.00 0.00 S ATOM 1422 CE MET A 88 1.155 22.569 6.563 1.00 0.00 C ATOM 0 H MET A 88 -2.294 19.299 5.465 1.00 0.00 H new ATOM 0 HA MET A 88 -2.579 21.501 3.892 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.050 20.313 5.118 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.146 21.947 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.818 22.591 6.116 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.155 20.927 6.549 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.856 23.066 7.234 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.695 21.861 5.934 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.666 23.313 5.934 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.359 19.466 2.493 1.00 0.00 N ATOM 1433 CA ARG A 89 0.232 19.104 1.209 1.00 0.00 C ATOM 1434 C ARG A 89 -0.858 18.622 0.249 1.00 0.00 C ATOM 1435 O ARG A 89 -0.834 18.927 -0.944 1.00 0.00 O ATOM 1436 CB ARG A 89 1.275 17.998 1.401 1.00 0.00 C ATOM 1437 CG ARG A 89 2.400 18.493 2.321 1.00 0.00 C ATOM 1438 CD ARG A 89 3.184 19.616 1.635 1.00 0.00 C ATOM 1439 NE ARG A 89 3.731 19.152 0.362 1.00 0.00 N ATOM 1440 CZ ARG A 89 4.836 18.413 0.308 1.00 0.00 C ATOM 1441 NH1 ARG A 89 5.461 18.081 1.406 1.00 0.00 N ATOM 1442 NH2 ARG A 89 5.297 18.016 -0.846 1.00 0.00 N ATOM 0 H ARG A 89 -0.031 18.912 3.284 1.00 0.00 H new ATOM 0 HA ARG A 89 0.719 19.983 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.805 17.114 1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.686 17.703 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.980 18.853 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.069 17.668 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.532 20.473 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.992 19.953 2.284 1.00 0.00 H new ATOM 0 HE ARG A 89 3.255 19.400 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.102 18.388 2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.308 17.514 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.810 18.272 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.144 17.449 -0.889 1.00 0.00 H new ATOM 1456 N LEU A 90 -1.812 17.863 0.796 1.00 0.00 N ATOM 1457 CA LEU A 90 -2.920 17.318 0.014 1.00 0.00 C ATOM 1458 C LEU A 90 -3.719 18.422 -0.672 1.00 0.00 C ATOM 1459 O LEU A 90 -4.104 18.289 -1.833 1.00 0.00 O ATOM 1460 CB LEU A 90 -3.839 16.527 0.948 1.00 0.00 C ATOM 1461 CG LEU A 90 -5.035 15.970 0.179 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -4.564 14.879 -0.774 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -6.038 15.381 1.175 1.00 0.00 C ATOM 0 H LEU A 90 -1.837 17.612 1.784 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.511 16.671 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.283 15.710 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.187 17.171 1.756 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.509 16.767 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.418 14.482 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.843 15.296 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.093 14.077 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.896 14.981 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.561 14.581 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.372 16.161 1.859 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.973 19.504 0.054 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.735 20.614 -0.499 1.00 0.00 C ATOM 1477 C ALA A 91 -4.080 21.118 -1.780 1.00 0.00 C ATOM 1478 O ALA A 91 -4.737 21.251 -2.809 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.822 21.744 0.525 1.00 0.00 C ATOM 0 H ALA A 91 -3.665 19.635 1.018 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.741 20.268 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.393 22.572 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.317 21.381 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.818 22.086 0.775 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.777 21.380 -1.704 1.00 0.00 N ATOM 1486 CA GLU A 92 -2.018 21.852 -2.861 1.00 0.00 C ATOM 1487 C GLU A 92 -2.064 20.833 -3.999 1.00 0.00 C ATOM 1488 O GLU A 92 -1.959 21.196 -5.170 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.563 22.111 -2.456 1.00 0.00 C ATOM 1490 CG GLU A 92 0.197 22.759 -3.624 1.00 0.00 C ATOM 1491 CD GLU A 92 0.751 21.693 -4.575 1.00 0.00 C ATOM 1492 OE1 GLU A 92 1.019 20.591 -4.123 1.00 0.00 O ATOM 1493 OE2 GLU A 92 0.905 22.002 -5.745 1.00 0.00 O ATOM 0 H GLU A 92 -2.224 21.274 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.470 22.779 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.530 22.763 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.083 21.174 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.469 23.428 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.015 23.368 -3.238 1.00 0.00 H new ATOM 1500 N ASN A 93 -2.200 19.557 -3.646 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.237 18.495 -4.649 1.00 0.00 C ATOM 1502 C ASN A 93 -3.515 18.562 -5.483 1.00 0.00 C ATOM 1503 O ASN A 93 -3.505 18.221 -6.665 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.142 17.125 -3.971 1.00 0.00 C ATOM 1505 CG ASN A 93 -0.808 16.981 -3.240 1.00 0.00 C ATOM 1506 OD1 ASN A 93 0.086 17.928 -3.325 1.00 0.00 O flip ATOM 1507 ND2 ASN A 93 -0.574 15.973 -2.573 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.286 19.235 -2.682 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.384 18.636 -5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.965 17.004 -3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.242 16.336 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.272 15.232 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.318 15.879 -2.087 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.614 18.998 -4.868 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.887 19.093 -5.581 1.00 0.00 C ATOM 1516 C ILE A 94 -5.734 19.915 -6.868 1.00 0.00 C ATOM 1517 O ILE A 94 -6.024 19.421 -7.955 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.962 19.707 -4.675 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.327 18.705 -3.573 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -8.212 20.034 -5.500 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -8.162 19.402 -2.495 1.00 0.00 C ATOM 0 H ILE A 94 -4.649 19.288 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.199 18.086 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.577 20.624 -4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.887 17.871 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.421 18.289 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.972 20.470 -4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.954 20.745 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.600 19.120 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.419 18.686 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.587 20.220 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.075 19.796 -2.941 1.00 0.00 H new ATOM 1533 N PRO A 95 -5.283 21.144 -6.773 1.00 0.00 N ATOM 1534 CA PRO A 95 -5.086 22.028 -7.962 1.00 0.00 C ATOM 1535 C PRO A 95 -3.973 21.530 -8.885 1.00 0.00 C ATOM 1536 O PRO A 95 -3.954 21.852 -10.072 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.717 23.388 -7.357 1.00 0.00 C ATOM 1538 CG PRO A 95 -4.183 23.086 -6.002 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.911 21.834 -5.526 1.00 0.00 C ATOM 0 HA PRO A 95 -5.978 22.060 -8.587 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.973 23.901 -7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.587 24.042 -7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.106 22.921 -6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.356 23.919 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.270 21.212 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.789 22.085 -4.931 1.00 0.00 H new ATOM 1547 N SER A 96 -3.061 20.732 -8.330 1.00 0.00 N ATOM 1548 CA SER A 96 -1.952 20.177 -9.106 1.00 0.00 C ATOM 1549 C SER A 96 -2.518 19.361 -10.236 1.00 0.00 C ATOM 1550 O SER A 96 -1.948 19.261 -11.324 1.00 0.00 O ATOM 1551 CB SER A 96 -1.063 19.297 -8.224 1.00 0.00 C ATOM 1552 OG SER A 96 -0.625 20.048 -7.100 1.00 0.00 O ATOM 0 H SER A 96 -3.068 20.456 -7.348 1.00 0.00 H new ATOM 0 HA SER A 96 -1.342 20.991 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.615 18.417 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.205 18.940 -8.794 1.00 0.00 H new ATOM 0 HG SER A 96 -1.396 20.280 -6.541 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.659 18.779 -9.932 1.00 0.00 N ATOM 1559 CA ARG A 97 -4.379 17.944 -10.856 1.00 0.00 C ATOM 1560 C ARG A 97 -4.615 18.654 -12.191 1.00 0.00 C ATOM 1561 O ARG A 97 -4.366 18.083 -13.252 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.715 17.602 -10.209 1.00 0.00 C ATOM 1563 CG ARG A 97 -5.493 16.763 -8.945 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.047 15.350 -9.328 1.00 0.00 C ATOM 1565 NE ARG A 97 -4.989 14.498 -8.142 1.00 0.00 N ATOM 1566 CZ ARG A 97 -6.098 14.061 -7.546 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -7.271 14.387 -8.016 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -6.012 13.301 -6.489 1.00 0.00 N ATOM 0 H ARG A 97 -4.114 18.877 -9.024 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.798 17.047 -11.069 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.250 18.518 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.338 17.052 -10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.739 17.233 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.413 16.718 -8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.740 14.927 -10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.068 15.387 -9.806 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.080 14.232 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.342 14.979 -8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.117 14.050 -7.556 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.097 13.042 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.860 12.966 -6.032 1.00 0.00 H new ATOM 1582 N CYS A 98 -5.079 19.903 -12.131 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.324 20.678 -13.339 1.00 0.00 C ATOM 1584 C CYS A 98 -4.244 21.714 -13.530 1.00 0.00 C ATOM 1585 O CYS A 98 -4.266 22.459 -14.511 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.675 21.385 -13.274 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.824 20.421 -12.262 1.00 0.00 S ATOM 0 H CYS A 98 -5.290 20.394 -11.262 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.323 19.983 -14.178 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.554 22.383 -12.852 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -7.079 21.511 -14.279 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.319 21.800 -12.577 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.286 22.805 -12.680 1.00 0.00 C ATOM 1594 C ASN A 99 -1.565 22.703 -13.991 1.00 0.00 C ATOM 1595 O ASN A 99 -1.544 21.664 -14.653 1.00 0.00 O ATOM 1596 CB ASN A 99 -1.274 22.770 -11.556 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.797 23.565 -10.364 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -1.595 23.177 -9.214 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -2.453 24.674 -10.579 1.00 0.00 N ATOM 0 H ASN A 99 -3.269 21.202 -11.752 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.812 23.757 -12.607 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.081 21.739 -11.260 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.326 23.187 -11.895 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.800 25.222 -9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.618 24.992 -11.534 1.00 0.00 H new ATOM 1606 N LEU A 100 -1.061 23.842 -14.380 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.413 23.993 -15.657 1.00 0.00 C ATOM 1608 C LEU A 100 0.711 25.020 -15.567 1.00 0.00 C ATOM 1609 O LEU A 100 0.547 26.073 -14.955 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.496 24.459 -16.637 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.739 24.913 -15.828 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.556 26.356 -15.363 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -3.991 24.794 -16.681 1.00 0.00 C ATOM 0 H LEU A 100 -1.087 24.694 -13.820 1.00 0.00 H new ATOM 0 HA LEU A 100 0.037 23.056 -15.986 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.123 25.280 -17.249 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.763 23.650 -17.317 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.848 24.269 -14.955 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.432 26.669 -14.795 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.671 26.425 -14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.434 27.005 -16.230 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.857 25.115 -16.103 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.891 25.424 -17.565 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.125 23.757 -16.988 1.00 0.00 H new ATOM 1625 N SER A 101 1.847 24.690 -16.177 1.00 0.00 N ATOM 1626 CA SER A 101 3.025 25.560 -16.173 1.00 0.00 C ATOM 1627 C SER A 101 2.646 27.009 -16.474 1.00 0.00 C ATOM 1628 O SER A 101 2.484 27.391 -17.632 1.00 0.00 O ATOM 1629 CB SER A 101 4.034 25.068 -17.213 1.00 0.00 C ATOM 1630 OG SER A 101 3.374 24.887 -18.461 1.00 0.00 O ATOM 0 H SER A 101 1.979 23.816 -16.686 1.00 0.00 H new ATOM 0 HA SER A 101 3.470 25.523 -15.178 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.845 25.789 -17.319 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.482 24.130 -16.886 1.00 0.00 H new ATOM 0 HG SER A 101 2.907 25.713 -18.707 1.00 0.00 H new ATOM 1636 N PRO A 102 2.509 27.816 -15.451 1.00 0.00 N ATOM 1637 CA PRO A 102 2.147 29.253 -15.586 1.00 0.00 C ATOM 1638 C PRO A 102 3.370 30.090 -15.945 1.00 0.00 C ATOM 1639 O PRO A 102 4.474 29.804 -15.484 1.00 0.00 O ATOM 1640 CB PRO A 102 1.600 29.621 -14.192 1.00 0.00 C ATOM 1641 CG PRO A 102 1.635 28.354 -13.384 1.00 0.00 C ATOM 1642 CD PRO A 102 2.676 27.464 -14.043 1.00 0.00 C ATOM 0 HA PRO A 102 1.424 29.439 -16.380 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.208 30.397 -13.727 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.585 30.011 -14.262 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.899 28.560 -12.347 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.658 27.870 -13.375 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.683 27.675 -13.684 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.487 26.406 -13.859 1.00 0.00 H new ATOM 1650 N MET A 103 3.183 31.109 -16.777 1.00 0.00 N ATOM 1651 CA MET A 103 4.308 31.946 -17.183 1.00 0.00 C ATOM 1652 C MET A 103 4.859 32.735 -15.996 1.00 0.00 C ATOM 1653 O MET A 103 6.029 32.591 -15.642 1.00 0.00 O ATOM 1654 CB MET A 103 3.866 32.912 -18.286 1.00 0.00 C ATOM 1655 CG MET A 103 5.082 33.667 -18.831 1.00 0.00 C ATOM 1656 SD MET A 103 4.534 34.933 -20.006 1.00 0.00 S ATOM 1657 CE MET A 103 3.907 33.812 -21.282 1.00 0.00 C ATOM 0 H MET A 103 2.283 31.373 -17.177 1.00 0.00 H new ATOM 0 HA MET A 103 5.098 31.297 -17.561 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.378 32.362 -19.090 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.134 33.618 -17.893 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.632 34.130 -18.012 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.764 32.973 -19.321 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.172 34.197 -22.267 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.349 32.825 -21.148 1.00 0.00 H new ATOM 0 HE3 MET A 103 2.823 33.739 -21.201 1.00 0.00 H new ATOM 1667 N ARG A 104 4.010 33.557 -15.382 1.00 0.00 N ATOM 1668 CA ARG A 104 4.428 34.355 -14.230 1.00 0.00 C ATOM 1669 C ARG A 104 3.260 34.629 -13.289 1.00 0.00 C ATOM 1670 O ARG A 104 2.148 34.911 -13.735 1.00 0.00 O ATOM 1671 CB ARG A 104 5.005 35.697 -14.702 1.00 0.00 C ATOM 1672 CG ARG A 104 6.481 35.541 -15.091 1.00 0.00 C ATOM 1673 CD ARG A 104 7.319 35.228 -13.845 1.00 0.00 C ATOM 1674 NE ARG A 104 6.917 36.086 -12.731 1.00 0.00 N ATOM 1675 CZ ARG A 104 7.153 37.396 -12.740 1.00 0.00 C ATOM 1676 NH1 ARG A 104 7.793 37.944 -13.739 1.00 0.00 N ATOM 1677 NH2 ARG A 104 6.748 38.136 -11.746 1.00 0.00 N ATOM 0 H ARG A 104 3.037 33.688 -15.659 1.00 0.00 H new ATOM 0 HA ARG A 104 5.186 33.785 -13.694 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.435 36.065 -15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.908 36.440 -13.910 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.590 34.742 -15.824 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.841 36.456 -15.561 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.195 34.181 -13.569 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.376 35.377 -14.063 1.00 0.00 H new ATOM 0 HE ARG A 104 6.445 35.671 -11.928 1.00 0.00 H new ATOM 0 HH11 ARG A 104 8.114 37.367 -14.517 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.971 38.948 -13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.251 37.711 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.928 39.140 -11.751 1.00 0.00 H new ATOM 1691 N CYS A 105 3.533 34.585 -11.985 1.00 0.00 N ATOM 1692 CA CYS A 105 2.510 34.878 -10.984 1.00 0.00 C ATOM 1693 C CYS A 105 2.588 36.361 -10.612 1.00 0.00 C ATOM 1694 O CYS A 105 3.538 36.785 -9.950 1.00 0.00 O ATOM 1695 CB CYS A 105 2.721 34.018 -9.733 1.00 0.00 C ATOM 1696 SG CYS A 105 2.028 32.364 -10.000 1.00 0.00 S ATOM 0 H CYS A 105 4.448 34.351 -11.600 1.00 0.00 H new ATOM 0 HA CYS A 105 1.528 34.649 -11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.785 33.944 -9.506 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.244 34.488 -8.873 1.00 0.00 H new ATOM 1701 N PRO A 106 1.633 37.157 -11.029 1.00 0.00 N ATOM 1702 CA PRO A 106 1.624 38.622 -10.736 1.00 0.00 C ATOM 1703 C PRO A 106 1.423 38.933 -9.265 1.00 0.00 C ATOM 1704 O PRO A 106 1.279 40.096 -8.881 1.00 0.00 O ATOM 1705 CB PRO A 106 0.476 39.181 -11.571 1.00 0.00 C ATOM 1706 CG PRO A 106 -0.397 38.017 -11.911 1.00 0.00 C ATOM 1707 CD PRO A 106 0.462 36.753 -11.824 1.00 0.00 C ATOM 0 HA PRO A 106 2.586 39.070 -10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.080 39.935 -11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.850 39.664 -12.474 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.239 37.956 -11.222 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.812 38.130 -12.912 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.080 35.937 -11.346 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.756 36.404 -12.814 1.00 0.00 H new ATOM 1715 N MET A 107 1.415 37.899 -8.448 1.00 0.00 N ATOM 1716 CA MET A 107 1.233 38.079 -7.023 1.00 0.00 C ATOM 1717 C MET A 107 2.519 38.585 -6.401 1.00 0.00 C ATOM 1718 O MET A 107 3.341 37.810 -5.911 1.00 0.00 O ATOM 1719 CB MET A 107 0.885 36.747 -6.401 1.00 0.00 C ATOM 1720 CG MET A 107 -0.557 36.361 -6.748 1.00 0.00 C ATOM 1721 SD MET A 107 -0.799 36.430 -8.542 1.00 0.00 S ATOM 1722 CE MET A 107 -2.257 37.503 -8.540 1.00 0.00 C ATOM 0 H MET A 107 1.532 36.930 -8.745 1.00 0.00 H new ATOM 0 HA MET A 107 0.435 38.800 -6.849 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.571 35.980 -6.760 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.004 36.800 -5.319 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.772 35.357 -6.382 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.253 37.037 -6.252 1.00 0.00 H new ATOM 0 HE1 MET A 107 -2.226 38.160 -9.409 1.00 0.00 H new ATOM 0 HE2 MET A 107 -3.159 36.892 -8.579 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.265 38.104 -7.631 1.00 0.00 H new ATOM 1732 N GLY A 108 2.678 39.892 -6.429 1.00 0.00 N ATOM 1733 CA GLY A 108 3.857 40.519 -5.869 1.00 0.00 C ATOM 1734 C GLY A 108 5.053 40.388 -6.805 1.00 0.00 C ATOM 1735 O GLY A 108 6.201 40.401 -6.361 1.00 0.00 O ATOM 0 H GLY A 108 2.004 40.542 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.655 41.573 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.093 40.062 -4.908 1.00 0.00 H new ATOM 1739 N GLY A 109 4.776 40.273 -8.105 1.00 0.00 N ATOM 1740 CA GLY A 109 5.841 40.152 -9.099 1.00 0.00 C ATOM 1741 C GLY A 109 6.861 39.096 -8.687 1.00 0.00 C ATOM 1742 O GLY A 109 7.998 39.421 -8.345 1.00 0.00 O ATOM 0 H GLY A 109 3.832 40.261 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.412 39.889 -10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.339 41.114 -9.222 1.00 0.00 H new ATOM 1746 N SER A 110 6.444 37.832 -8.712 1.00 0.00 N ATOM 1747 CA SER A 110 7.327 36.733 -8.328 1.00 0.00 C ATOM 1748 C SER A 110 8.648 36.793 -9.098 1.00 0.00 C ATOM 1749 O SER A 110 8.713 37.337 -10.199 1.00 0.00 O ATOM 1750 CB SER A 110 6.635 35.396 -8.599 1.00 0.00 C ATOM 1751 OG SER A 110 6.548 35.184 -10.002 1.00 0.00 O ATOM 0 H SER A 110 5.506 37.544 -8.992 1.00 0.00 H new ATOM 0 HA SER A 110 7.545 36.826 -7.264 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.192 34.584 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 110 5.638 35.394 -8.157 1.00 0.00 H new ATOM 0 HG SER A 110 7.348 34.710 -10.311 1.00 0.00 H new ATOM 1757 N ILE A 111 9.695 36.225 -8.504 1.00 0.00 N ATOM 1758 CA ILE A 111 11.016 36.211 -9.131 1.00 0.00 C ATOM 1759 C ILE A 111 11.598 34.801 -9.094 1.00 0.00 C ATOM 1760 O ILE A 111 12.195 34.337 -10.065 1.00 0.00 O ATOM 1761 CB ILE A 111 11.956 37.177 -8.399 1.00 0.00 C ATOM 1762 CG1 ILE A 111 11.371 38.595 -8.447 1.00 0.00 C ATOM 1763 CG2 ILE A 111 13.330 37.169 -9.080 1.00 0.00 C ATOM 1764 CD1 ILE A 111 12.222 39.534 -7.585 1.00 0.00 C ATOM 0 H ILE A 111 9.656 35.770 -7.592 1.00 0.00 H new ATOM 0 HA ILE A 111 10.915 36.529 -10.169 1.00 0.00 H new ATOM 0 HB ILE A 111 12.063 36.862 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.345 38.954 -9.476 1.00 0.00 H new ATOM 0 HG13 ILE A 111 10.342 38.587 -8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 111 13.998 37.856 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 111 13.747 36.162 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.223 37.483 -10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 111 11.804 40.540 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 111 12.225 39.179 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.243 39.552 -7.965 1.00 0.00 H new ATOM 1776 N ALA A 112 11.386 34.117 -7.971 1.00 0.00 N ATOM 1777 CA ALA A 112 11.850 32.754 -7.803 1.00 0.00 C ATOM 1778 C ALA A 112 11.074 31.874 -8.738 1.00 0.00 C ATOM 1779 O ALA A 112 10.367 32.371 -9.617 1.00 0.00 O ATOM 1780 CB ALA A 112 11.610 32.288 -6.370 1.00 0.00 C ATOM 0 H ALA A 112 10.892 34.494 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 112 12.917 32.702 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.963 31.263 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.152 32.936 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.544 32.332 -6.147 1.00 0.00 H new ATOM 1786 N GLY A 113 11.148 30.572 -8.539 1.00 0.00 N ATOM 1787 CA GLY A 113 10.369 29.720 -9.386 1.00 0.00 C ATOM 1788 C GLY A 113 8.919 29.847 -8.962 1.00 0.00 C ATOM 1789 O GLY A 113 8.469 29.203 -8.013 1.00 0.00 O ATOM 0 H GLY A 113 11.715 30.106 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.488 30.007 -10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.703 28.686 -9.300 1.00 0.00 H new ATOM 1793 N PHE A 114 8.210 30.718 -9.669 1.00 0.00 N ATOM 1794 CA PHE A 114 6.804 30.995 -9.386 1.00 0.00 C ATOM 1795 C PHE A 114 6.043 29.720 -9.019 1.00 0.00 C ATOM 1796 O PHE A 114 5.251 29.774 -8.094 1.00 0.00 O ATOM 1797 CB PHE A 114 6.146 31.653 -10.606 1.00 0.00 C ATOM 1798 CG PHE A 114 6.605 30.957 -11.869 1.00 0.00 C ATOM 1799 CD1 PHE A 114 5.896 29.855 -12.361 1.00 0.00 C ATOM 1800 CD2 PHE A 114 7.745 31.414 -12.544 1.00 0.00 C ATOM 1801 CE1 PHE A 114 6.326 29.211 -13.528 1.00 0.00 C ATOM 1802 CE2 PHE A 114 8.173 30.771 -13.710 1.00 0.00 C ATOM 1803 CZ PHE A 114 7.464 29.669 -14.202 1.00 0.00 C ATOM 1804 OXT PHE A 114 6.265 28.709 -9.667 1.00 0.00 O ATOM 0 H PHE A 114 8.589 31.251 -10.452 1.00 0.00 H new ATOM 0 HA PHE A 114 6.763 31.672 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.061 31.596 -10.521 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.407 32.710 -10.646 1.00 0.00 H new ATOM 0 HD1 PHE A 114 5.018 29.502 -11.841 1.00 0.00 H new ATOM 0 HD2 PHE A 114 8.293 32.263 -12.164 1.00 0.00 H new ATOM 0 HE1 PHE A 114 5.779 28.361 -13.908 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.051 31.125 -14.231 1.00 0.00 H new ATOM 0 HZ PHE A 114 7.795 29.172 -15.102 1.00 0.00 H new TER 1814 PHE A 114