USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 677 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 13 GLN : amide:sc= -2.81! C(o=-2.8!,f=-5.9!) USER MOD Set 1.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.113 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00414 X(o=-0.0041,f=0) USER MOD Single : A 11 THR OG1 : rot 69:sc= 0.227! USER MOD Single : A 15 ASN : amide:sc= -9.88! C(o=-9.9!,f=-14!) USER MOD Single : A 19 SER OG : rot -24:sc= 0.456! USER MOD Single : A 20 GLN : amide:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : A 27 GLN : amide:sc= -6.05! C(o=-6!,f=-3!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0818 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 51:sc= 0.577! USER MOD Single : A 43 SER OG : rot 180:sc= 0.124 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -125:sc= -0.759 (180deg=-1.43!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -176:sc= 0 (180deg=-0.0245) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 55 SER OG : rot 63:sc= 0.93 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -91:sc= 0.0682 USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.13 (180deg=-0.727) USER MOD Single : A 64 SER OG : rot 29:sc= 0.0677 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0105 X(o=-0.011,f=-0.15) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 177:sc= 0 (180deg=-0.0217) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -11.1! C(o=-11!,f=-19!) USER MOD Single : A 79 HIS : no HD1:sc= -14.3! C(o=-14!,f=-14!) USER MOD Single : A 80 THR OG1 : rot 150:sc= -4.74! USER MOD Single : A 83 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.099) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=-0.23) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 67:sc= 0.0833 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.457 21.368 -9.315 1.00 0.00 N ATOM 2 CA ALA A 1 -9.008 21.043 -9.370 1.00 0.00 C ATOM 3 C ALA A 1 -8.615 20.117 -8.225 1.00 0.00 C ATOM 4 O ALA A 1 -9.455 19.715 -7.420 1.00 0.00 O ATOM 5 CB ALA A 1 -8.176 22.317 -9.328 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.912 21.078 -10.204 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.896 20.862 -8.520 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.578 22.392 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.811 20.527 -10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.117 22.062 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.431 22.946 -10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.383 22.857 -8.404 1.00 0.00 H new ATOM 13 N PRO A 2 -7.324 19.769 -8.140 1.00 0.00 N ATOM 14 CA PRO A 2 -6.809 18.887 -7.089 1.00 0.00 C ATOM 15 C PRO A 2 -6.958 19.502 -5.702 1.00 0.00 C ATOM 16 O PRO A 2 -7.240 20.694 -5.570 1.00 0.00 O ATOM 17 CB PRO A 2 -5.325 18.717 -7.445 1.00 0.00 C ATOM 18 CG PRO A 2 -5.197 19.179 -8.858 1.00 0.00 C ATOM 19 CD PRO A 2 -6.266 20.211 -9.057 1.00 0.00 C ATOM 0 HA PRO A 2 -7.354 17.944 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.692 19.306 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.014 17.677 -7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.209 19.601 -9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.323 18.348 -9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.911 21.212 -8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.613 20.239 -10.090 1.00 0.00 H new ATOM 27 N ASP A 3 -6.770 18.687 -4.670 1.00 0.00 N ATOM 28 CA ASP A 3 -6.887 19.161 -3.296 1.00 0.00 C ATOM 29 C ASP A 3 -6.186 18.214 -2.327 1.00 0.00 C ATOM 30 O ASP A 3 -5.476 17.298 -2.742 1.00 0.00 O ATOM 31 CB ASP A 3 -8.359 19.305 -2.907 1.00 0.00 C ATOM 32 CG ASP A 3 -8.720 20.730 -2.538 1.00 0.00 C ATOM 33 OD1 ASP A 3 -8.301 21.185 -1.453 1.00 0.00 O ATOM 34 OD2 ASP A 3 -9.420 21.391 -3.333 1.00 0.00 O ATOM 0 H ASP A 3 -6.537 17.698 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.403 20.136 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.985 18.977 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.576 18.648 -2.065 1.00 0.00 H new ATOM 39 N VAL A 4 -6.393 18.441 -1.034 1.00 0.00 N ATOM 40 CA VAL A 4 -5.784 17.609 -0.004 1.00 0.00 C ATOM 41 C VAL A 4 -6.471 16.250 0.080 1.00 0.00 C ATOM 42 O VAL A 4 -7.596 16.083 -0.392 1.00 0.00 O ATOM 43 CB VAL A 4 -5.846 18.289 1.377 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.326 17.353 2.457 1.00 0.00 C ATOM 45 CG2 VAL A 4 -5.059 19.590 1.369 1.00 0.00 C ATOM 0 H VAL A 4 -6.978 19.195 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.740 17.470 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.887 18.522 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.377 17.851 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.936 16.450 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.291 17.087 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.115 20.055 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.017 19.384 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.480 20.265 0.624 1.00 0.00 H new ATOM 55 N GLN A 5 -5.789 15.279 0.681 1.00 0.00 N ATOM 56 CA GLN A 5 -6.339 13.934 0.823 1.00 0.00 C ATOM 57 C GLN A 5 -5.554 13.126 1.853 1.00 0.00 C ATOM 58 O GLN A 5 -4.329 13.036 1.780 1.00 0.00 O ATOM 59 CB GLN A 5 -6.319 13.212 -0.526 1.00 0.00 C ATOM 60 CG GLN A 5 -7.583 13.414 -1.345 1.00 0.00 C ATOM 61 CD GLN A 5 -8.391 12.140 -1.485 1.00 0.00 C ATOM 62 OE1 GLN A 5 -8.646 11.671 -2.594 1.00 0.00 O ATOM 63 NE2 GLN A 5 -8.800 11.573 -0.356 1.00 0.00 N ATOM 0 H GLN A 5 -4.856 15.398 1.077 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.369 14.025 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.463 13.562 -1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.174 12.145 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.198 14.181 -0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.316 13.782 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.565 11.997 0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.349 10.714 -0.386 1.00 0.00 H new ATOM 72 N ASP A 6 -6.268 12.536 2.809 1.00 0.00 N ATOM 73 CA ASP A 6 -5.636 11.732 3.851 1.00 0.00 C ATOM 74 C ASP A 6 -4.766 10.636 3.240 1.00 0.00 C ATOM 75 O ASP A 6 -4.353 10.734 2.084 1.00 0.00 O ATOM 76 CB ASP A 6 -6.699 11.114 4.760 1.00 0.00 C ATOM 77 CG ASP A 6 -7.323 9.869 4.161 1.00 0.00 C ATOM 78 OD1 ASP A 6 -8.052 9.994 3.155 1.00 0.00 O ATOM 79 OD2 ASP A 6 -7.083 8.768 4.699 1.00 0.00 O ATOM 0 H ASP A 6 -7.283 12.600 2.883 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.997 12.386 4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.250 10.865 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.479 11.850 4.954 1.00 0.00 H new ATOM 84 N CYS A 7 -4.487 9.596 4.025 1.00 0.00 N ATOM 85 CA CYS A 7 -3.660 8.484 3.561 1.00 0.00 C ATOM 86 C CYS A 7 -3.778 8.308 2.049 1.00 0.00 C ATOM 87 O CYS A 7 -4.849 7.991 1.530 1.00 0.00 O ATOM 88 CB CYS A 7 -4.056 7.188 4.272 1.00 0.00 C ATOM 89 SG CYS A 7 -5.695 6.547 3.801 1.00 0.00 S ATOM 0 H CYS A 7 -4.821 9.501 4.984 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.622 8.716 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.306 6.426 4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.041 7.358 5.349 1.00 0.00 H new ATOM 94 N PRO A 8 -2.670 8.521 1.324 1.00 0.00 N ATOM 95 CA PRO A 8 -2.635 8.398 -0.138 1.00 0.00 C ATOM 96 C PRO A 8 -3.252 7.093 -0.634 1.00 0.00 C ATOM 97 O PRO A 8 -3.883 6.363 0.129 1.00 0.00 O ATOM 98 CB PRO A 8 -1.139 8.443 -0.450 1.00 0.00 C ATOM 99 CG PRO A 8 -0.563 9.263 0.649 1.00 0.00 C ATOM 100 CD PRO A 8 -1.358 8.908 1.875 1.00 0.00 C ATOM 0 HA PRO A 8 -3.215 9.179 -0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.706 7.443 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.949 8.893 -1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.495 9.042 0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.640 10.327 0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.898 8.091 2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.442 9.752 2.559 1.00 0.00 H new ATOM 108 N GLU A 9 -3.068 6.811 -1.921 1.00 0.00 N ATOM 109 CA GLU A 9 -3.610 5.602 -2.525 1.00 0.00 C ATOM 110 C GLU A 9 -2.711 4.402 -2.261 1.00 0.00 C ATOM 111 O GLU A 9 -1.484 4.504 -2.307 1.00 0.00 O ATOM 112 CB GLU A 9 -3.790 5.791 -4.031 1.00 0.00 C ATOM 113 CG GLU A 9 -4.627 4.700 -4.680 1.00 0.00 C ATOM 114 CD GLU A 9 -4.897 4.965 -6.148 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.202 5.821 -6.735 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.805 4.317 -6.711 1.00 0.00 O ATOM 0 H GLU A 9 -2.546 7.406 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.581 5.411 -2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.260 6.757 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.809 5.818 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.114 3.744 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.576 4.612 -4.150 1.00 0.00 H new ATOM 123 N CYS A 10 -3.341 3.268 -1.987 1.00 0.00 N ATOM 124 CA CYS A 10 -2.624 2.028 -1.714 1.00 0.00 C ATOM 125 C CYS A 10 -1.780 1.611 -2.913 1.00 0.00 C ATOM 126 O CYS A 10 -2.312 1.348 -3.991 1.00 0.00 O ATOM 127 CB CYS A 10 -3.617 0.916 -1.370 1.00 0.00 C ATOM 128 SG CYS A 10 -2.914 -0.761 -1.457 1.00 0.00 S ATOM 0 H CYS A 10 -4.356 3.180 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.960 2.198 -0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.002 1.085 -0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.466 0.978 -2.051 1.00 0.00 H new ATOM 133 N THR A 11 -0.464 1.549 -2.724 1.00 0.00 N ATOM 134 CA THR A 11 0.435 1.161 -3.802 1.00 0.00 C ATOM 135 C THR A 11 1.882 1.404 -3.417 1.00 0.00 C ATOM 136 O THR A 11 2.195 1.639 -2.252 1.00 0.00 O ATOM 137 CB THR A 11 0.111 1.947 -5.068 1.00 0.00 C ATOM 138 OG1 THR A 11 1.099 1.730 -6.060 1.00 0.00 O ATOM 139 CG2 THR A 11 0.016 3.441 -4.831 1.00 0.00 C ATOM 0 H THR A 11 -0.001 1.761 -1.840 1.00 0.00 H new ATOM 0 HA THR A 11 0.295 0.096 -3.987 1.00 0.00 H new ATOM 0 HB THR A 11 -0.862 1.583 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.041 0.807 -6.383 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.217 3.944 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.771 3.645 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.967 3.810 -4.448 1.00 0.00 H new ATOM 147 N LEU A 12 2.757 1.360 -4.409 1.00 0.00 N ATOM 148 CA LEU A 12 4.172 1.589 -4.184 1.00 0.00 C ATOM 149 C LEU A 12 4.545 3.005 -4.548 1.00 0.00 C ATOM 150 O LEU A 12 4.144 3.517 -5.593 1.00 0.00 O ATOM 151 CB LEU A 12 5.014 0.630 -5.010 1.00 0.00 C ATOM 152 CG LEU A 12 5.095 -0.785 -4.467 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.720 -1.256 -4.028 1.00 0.00 C ATOM 154 CD2 LEU A 12 5.680 -1.701 -5.529 1.00 0.00 C ATOM 0 H LEU A 12 2.510 1.167 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 12 4.368 1.420 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.608 0.592 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.024 1.032 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 12 5.748 -0.807 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.790 -2.272 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.341 -0.595 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.040 -1.239 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.739 -2.718 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.043 -1.687 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.679 -1.357 -5.796 1.00 0.00 H new ATOM 166 N GLN A 13 5.327 3.631 -3.694 1.00 0.00 N ATOM 167 CA GLN A 13 5.764 4.985 -3.951 1.00 0.00 C ATOM 168 C GLN A 13 7.172 4.982 -4.481 1.00 0.00 C ATOM 169 O GLN A 13 8.052 5.687 -3.990 1.00 0.00 O ATOM 170 CB GLN A 13 5.663 5.824 -2.706 1.00 0.00 C ATOM 171 CG GLN A 13 4.244 6.292 -2.443 1.00 0.00 C ATOM 172 CD GLN A 13 4.172 7.584 -1.655 1.00 0.00 C ATOM 173 OE1 GLN A 13 5.158 8.027 -1.066 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.992 8.194 -1.643 1.00 0.00 N ATOM 0 H GLN A 13 5.670 3.227 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 13 5.110 5.425 -4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.018 5.247 -1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.318 6.690 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.732 6.427 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.708 5.514 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.203 7.788 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.875 9.068 -1.130 1.00 0.00 H new ATOM 183 N GLU A 14 7.349 4.149 -5.483 1.00 0.00 N ATOM 184 CA GLU A 14 8.630 3.958 -6.151 1.00 0.00 C ATOM 185 C GLU A 14 9.684 4.883 -5.597 1.00 0.00 C ATOM 186 O GLU A 14 9.515 6.100 -5.555 1.00 0.00 O ATOM 187 CB GLU A 14 8.518 4.164 -7.653 1.00 0.00 C ATOM 188 CG GLU A 14 9.856 4.081 -8.371 1.00 0.00 C ATOM 189 CD GLU A 14 9.911 4.964 -9.602 1.00 0.00 C ATOM 190 OE1 GLU A 14 8.856 5.507 -9.991 1.00 0.00 O ATOM 191 OE2 GLU A 14 11.010 5.114 -10.175 1.00 0.00 O ATOM 0 H GLU A 14 6.599 3.574 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 14 8.927 2.927 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.844 3.414 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.069 5.138 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.651 4.371 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.046 3.047 -8.661 1.00 0.00 H new ATOM 198 N ASN A 15 10.763 4.279 -5.167 1.00 0.00 N ATOM 199 CA ASN A 15 11.871 5.003 -4.584 1.00 0.00 C ATOM 200 C ASN A 15 12.773 5.641 -5.625 1.00 0.00 C ATOM 201 O ASN A 15 13.636 4.982 -6.203 1.00 0.00 O ATOM 202 CB ASN A 15 12.692 4.084 -3.693 1.00 0.00 C ATOM 203 CG ASN A 15 12.755 4.587 -2.271 1.00 0.00 C ATOM 204 OD1 ASN A 15 13.431 5.571 -1.974 1.00 0.00 O ATOM 205 ND2 ASN A 15 12.046 3.911 -1.386 1.00 0.00 N ATOM 0 H ASN A 15 10.901 3.269 -5.210 1.00 0.00 H new ATOM 0 HA ASN A 15 11.438 5.809 -3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.258 3.084 -3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.702 3.998 -4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.043 4.199 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.501 3.101 -1.681 1.00 0.00 H new ATOM 212 N PRO A 16 12.632 6.960 -5.824 1.00 0.00 N ATOM 213 CA PRO A 16 13.480 7.710 -6.732 1.00 0.00 C ATOM 214 C PRO A 16 14.794 7.988 -6.027 1.00 0.00 C ATOM 215 O PRO A 16 15.685 8.668 -6.535 1.00 0.00 O ATOM 216 CB PRO A 16 12.700 9.011 -6.988 1.00 0.00 C ATOM 217 CG PRO A 16 11.457 8.923 -6.151 1.00 0.00 C ATOM 218 CD PRO A 16 11.694 7.843 -5.132 1.00 0.00 C ATOM 0 HA PRO A 16 13.707 7.193 -7.664 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.294 9.882 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.452 9.115 -8.044 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.251 9.876 -5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.591 8.688 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.116 8.241 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.772 7.327 -4.865 1.00 0.00 H new ATOM 226 N PHE A 17 14.865 7.428 -4.825 1.00 0.00 N ATOM 227 CA PHE A 17 16.008 7.540 -3.943 1.00 0.00 C ATOM 228 C PHE A 17 16.960 6.378 -4.166 1.00 0.00 C ATOM 229 O PHE A 17 18.122 6.557 -4.530 1.00 0.00 O ATOM 230 CB PHE A 17 15.510 7.504 -2.497 1.00 0.00 C ATOM 231 CG PHE A 17 16.362 8.280 -1.543 1.00 0.00 C ATOM 232 CD1 PHE A 17 17.735 8.106 -1.522 1.00 0.00 C ATOM 233 CD2 PHE A 17 15.787 9.183 -0.669 1.00 0.00 C ATOM 234 CE1 PHE A 17 18.522 8.824 -0.641 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.566 9.904 0.216 1.00 0.00 C ATOM 236 CZ PHE A 17 17.937 9.725 0.229 1.00 0.00 C ATOM 0 H PHE A 17 14.107 6.870 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 17 16.534 8.473 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.494 7.897 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 17 15.462 6.467 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 17 18.196 7.403 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 17 14.717 9.327 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 17 19.592 8.681 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.105 10.605 0.896 1.00 0.00 H new ATOM 0 HZ PHE A 17 18.550 10.288 0.918 1.00 0.00 H new ATOM 246 N PHE A 18 16.439 5.183 -3.926 1.00 0.00 N ATOM 247 CA PHE A 18 17.201 3.958 -4.071 1.00 0.00 C ATOM 248 C PHE A 18 17.325 3.548 -5.536 1.00 0.00 C ATOM 249 O PHE A 18 18.277 2.866 -5.914 1.00 0.00 O ATOM 250 CB PHE A 18 16.529 2.847 -3.267 1.00 0.00 C ATOM 251 CG PHE A 18 16.145 3.267 -1.878 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.074 3.864 -1.049 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.859 3.065 -1.402 1.00 0.00 C ATOM 254 CE1 PHE A 18 16.736 4.253 0.233 1.00 0.00 C ATOM 255 CE2 PHE A 18 14.512 3.452 -0.121 1.00 0.00 C ATOM 256 CZ PHE A 18 15.452 4.047 0.698 1.00 0.00 C ATOM 0 H PHE A 18 15.475 5.039 -3.625 1.00 0.00 H new ATOM 0 HA PHE A 18 18.208 4.130 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.637 2.513 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.203 1.993 -3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.079 4.029 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.120 2.600 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.474 4.717 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.507 3.289 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.184 4.350 1.699 1.00 0.00 H new ATOM 266 N SER A 19 16.358 3.960 -6.355 1.00 0.00 N ATOM 267 CA SER A 19 16.364 3.628 -7.773 1.00 0.00 C ATOM 268 C SER A 19 17.783 3.410 -8.266 1.00 0.00 C ATOM 269 O SER A 19 18.632 4.297 -8.181 1.00 0.00 O ATOM 270 CB SER A 19 15.690 4.727 -8.593 1.00 0.00 C ATOM 271 OG SER A 19 16.649 5.572 -9.203 1.00 0.00 O ATOM 0 H SER A 19 15.562 4.524 -6.058 1.00 0.00 H new ATOM 0 HA SER A 19 15.801 2.704 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.058 4.277 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.039 5.317 -7.949 1.00 0.00 H new ATOM 0 HG SER A 19 17.487 5.535 -8.696 1.00 0.00 H new ATOM 277 N GLN A 20 18.029 2.215 -8.768 1.00 0.00 N ATOM 278 CA GLN A 20 19.345 1.847 -9.269 1.00 0.00 C ATOM 279 C GLN A 20 19.392 1.929 -10.790 1.00 0.00 C ATOM 280 O GLN A 20 18.377 2.177 -11.442 1.00 0.00 O ATOM 281 CB GLN A 20 19.708 0.435 -8.806 1.00 0.00 C ATOM 282 CG GLN A 20 18.818 -0.085 -7.687 1.00 0.00 C ATOM 283 CD GLN A 20 19.082 -1.541 -7.354 1.00 0.00 C ATOM 284 OE1 GLN A 20 18.222 -2.230 -6.805 1.00 0.00 O ATOM 285 NE2 GLN A 20 20.276 -2.018 -7.684 1.00 0.00 N ATOM 0 H GLN A 20 17.330 1.475 -8.841 1.00 0.00 H new ATOM 0 HA GLN A 20 20.073 2.552 -8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.644 -0.245 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.744 0.427 -8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 20 18.973 0.521 -6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 20 17.773 0.033 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.960 -1.412 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.510 -2.990 -7.484 1.00 0.00 H new ATOM 294 N PRO A 21 20.579 1.719 -11.372 1.00 0.00 N ATOM 295 CA PRO A 21 20.769 1.766 -12.824 1.00 0.00 C ATOM 296 C PRO A 21 19.986 0.672 -13.538 1.00 0.00 C ATOM 297 O PRO A 21 20.565 -0.193 -14.195 1.00 0.00 O ATOM 298 CB PRO A 21 22.278 1.551 -13.007 1.00 0.00 C ATOM 299 CG PRO A 21 22.881 1.791 -11.663 1.00 0.00 C ATOM 300 CD PRO A 21 21.829 1.418 -10.661 1.00 0.00 C ATOM 0 HA PRO A 21 20.412 2.704 -13.249 1.00 0.00 H new ATOM 0 HB2 PRO A 21 22.491 0.541 -13.358 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.685 2.239 -13.748 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.780 1.190 -11.526 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.175 2.834 -11.549 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.892 0.366 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.922 1.998 -9.743 1.00 0.00 H new ATOM 308 N GLY A 22 18.664 0.716 -13.405 1.00 0.00 N ATOM 309 CA GLY A 22 17.824 -0.279 -14.044 1.00 0.00 C ATOM 310 C GLY A 22 16.684 -0.752 -13.164 1.00 0.00 C ATOM 311 O GLY A 22 15.972 -1.691 -13.522 1.00 0.00 O ATOM 0 H GLY A 22 18.161 1.422 -12.867 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.415 0.137 -14.965 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.436 -1.135 -14.326 1.00 0.00 H new ATOM 315 N ALA A 23 16.505 -0.116 -12.011 1.00 0.00 N ATOM 316 CA ALA A 23 15.439 -0.508 -11.102 1.00 0.00 C ATOM 317 C ALA A 23 15.030 0.626 -10.181 1.00 0.00 C ATOM 318 O ALA A 23 15.839 1.184 -9.440 1.00 0.00 O ATOM 319 CB ALA A 23 15.860 -1.729 -10.303 1.00 0.00 C ATOM 0 H ALA A 23 17.078 0.664 -11.688 1.00 0.00 H new ATOM 0 HA ALA A 23 14.565 -0.760 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.056 -2.015 -9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.072 -2.554 -10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 23 16.755 -1.496 -9.726 1.00 0.00 H new ATOM 325 N PRO A 24 13.742 0.968 -10.239 1.00 0.00 N ATOM 326 CA PRO A 24 13.139 2.024 -9.448 1.00 0.00 C ATOM 327 C PRO A 24 12.505 1.496 -8.172 1.00 0.00 C ATOM 328 O PRO A 24 11.365 1.031 -8.160 1.00 0.00 O ATOM 329 CB PRO A 24 12.094 2.560 -10.418 1.00 0.00 C ATOM 330 CG PRO A 24 11.664 1.371 -11.225 1.00 0.00 C ATOM 331 CD PRO A 24 12.749 0.334 -11.111 1.00 0.00 C ATOM 0 HA PRO A 24 13.849 2.771 -9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.251 3.001 -9.886 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.511 3.339 -11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.717 0.978 -10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.508 1.650 -12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 24 12.373 -0.594 -10.681 1.00 0.00 H new ATOM 0 HD3 PRO A 24 13.171 0.086 -12.085 1.00 0.00 H new ATOM 339 N ILE A 25 13.284 1.560 -7.108 1.00 0.00 N ATOM 340 CA ILE A 25 12.882 1.090 -5.800 1.00 0.00 C ATOM 341 C ILE A 25 11.503 1.565 -5.379 1.00 0.00 C ATOM 342 O ILE A 25 10.802 2.212 -6.153 1.00 0.00 O ATOM 343 CB ILE A 25 13.924 1.508 -4.774 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.254 0.930 -5.200 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.535 0.971 -3.420 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.076 -0.446 -5.767 1.00 0.00 C ATOM 0 H ILE A 25 14.228 1.946 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 25 12.817 0.003 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 25 13.992 2.594 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.716 1.578 -5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.930 0.892 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.280 1.269 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.562 1.372 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.481 -0.117 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.045 -0.844 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.635 -1.097 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.418 -0.400 -6.635 1.00 0.00 H new ATOM 358 N LEU A 26 11.084 1.173 -4.165 1.00 0.00 N ATOM 359 CA LEU A 26 9.747 1.506 -3.681 1.00 0.00 C ATOM 360 C LEU A 26 9.599 1.478 -2.185 1.00 0.00 C ATOM 361 O LEU A 26 10.559 1.444 -1.418 1.00 0.00 O ATOM 362 CB LEU A 26 8.787 0.495 -4.249 1.00 0.00 C ATOM 363 CG LEU A 26 9.291 -0.086 -5.537 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.300 -1.597 -5.486 1.00 0.00 C ATOM 365 CD2 LEU A 26 8.497 0.434 -6.723 1.00 0.00 C ATOM 0 H LEU A 26 11.649 0.631 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 26 9.547 2.529 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.631 -0.305 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.819 0.967 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 26 10.322 0.240 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.670 -1.991 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.949 -1.930 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.287 -1.961 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.886 -0.005 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.448 0.162 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.587 1.519 -6.773 1.00 0.00 H new ATOM 377 N GLN A 27 8.337 1.479 -1.813 1.00 0.00 N ATOM 378 CA GLN A 27 7.920 1.436 -0.417 1.00 0.00 C ATOM 379 C GLN A 27 6.415 1.655 -0.313 1.00 0.00 C ATOM 380 O GLN A 27 5.948 2.753 -0.012 1.00 0.00 O ATOM 381 CB GLN A 27 8.684 2.476 0.406 1.00 0.00 C ATOM 382 CG GLN A 27 7.910 3.006 1.603 1.00 0.00 C ATOM 383 CD GLN A 27 7.459 4.441 1.412 1.00 0.00 C ATOM 384 OE1 GLN A 27 7.355 5.205 2.372 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.191 4.816 0.166 1.00 0.00 N ATOM 0 H GLN A 27 7.560 1.510 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 27 8.153 0.452 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.617 2.034 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.951 3.312 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.039 2.375 1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.535 2.940 2.494 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.291 4.150 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.886 5.770 -0.025 1.00 0.00 H new ATOM 394 N CYS A 28 5.671 0.590 -0.585 1.00 0.00 N ATOM 395 CA CYS A 28 4.212 0.619 -0.552 1.00 0.00 C ATOM 396 C CYS A 28 3.691 1.753 0.325 1.00 0.00 C ATOM 397 O CYS A 28 3.880 1.742 1.541 1.00 0.00 O ATOM 398 CB CYS A 28 3.656 -0.712 -0.041 1.00 0.00 C ATOM 399 SG CYS A 28 2.145 -1.261 -0.901 1.00 0.00 S ATOM 0 H CYS A 28 6.061 -0.319 -0.835 1.00 0.00 H new ATOM 0 HA CYS A 28 3.872 0.788 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.422 -1.480 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.443 -0.621 1.024 1.00 0.00 H new ATOM 404 N MET A 29 3.027 2.724 -0.295 1.00 0.00 N ATOM 405 CA MET A 29 2.472 3.854 0.446 1.00 0.00 C ATOM 406 C MET A 29 1.051 4.162 -0.016 1.00 0.00 C ATOM 407 O MET A 29 0.817 4.446 -1.191 1.00 0.00 O ATOM 408 CB MET A 29 3.359 5.091 0.283 1.00 0.00 C ATOM 409 CG MET A 29 3.736 5.754 1.600 1.00 0.00 C ATOM 410 SD MET A 29 5.179 6.826 1.451 1.00 0.00 S ATOM 411 CE MET A 29 4.491 8.407 1.941 1.00 0.00 C ATOM 0 H MET A 29 2.860 2.752 -1.301 1.00 0.00 H new ATOM 0 HA MET A 29 2.440 3.582 1.501 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.270 4.807 -0.244 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.842 5.817 -0.344 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.890 6.338 1.963 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.936 4.984 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.268 9.171 1.898 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.680 8.676 1.265 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.107 8.337 2.959 1.00 0.00 H new ATOM 421 N GLY A 30 0.103 4.099 0.916 1.00 0.00 N ATOM 422 CA GLY A 30 -1.284 4.370 0.586 1.00 0.00 C ATOM 423 C GLY A 30 -2.248 3.828 1.623 1.00 0.00 C ATOM 424 O GLY A 30 -2.015 3.958 2.825 1.00 0.00 O ATOM 0 H GLY A 30 0.272 3.865 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.427 5.446 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.515 3.930 -0.384 1.00 0.00 H new ATOM 428 N CYS A 31 -3.337 3.224 1.157 1.00 0.00 N ATOM 429 CA CYS A 31 -4.343 2.667 2.055 1.00 0.00 C ATOM 430 C CYS A 31 -5.539 2.127 1.277 1.00 0.00 C ATOM 431 O CYS A 31 -5.878 2.638 0.209 1.00 0.00 O ATOM 432 CB CYS A 31 -4.818 3.736 3.039 1.00 0.00 C ATOM 433 SG CYS A 31 -5.298 5.305 2.244 1.00 0.00 S ATOM 0 H CYS A 31 -3.545 3.108 0.165 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.884 1.843 2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.668 3.348 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.024 3.932 3.759 1.00 0.00 H new ATOM 438 N CYS A 32 -6.185 1.102 1.827 1.00 0.00 N ATOM 439 CA CYS A 32 -7.355 0.508 1.190 1.00 0.00 C ATOM 440 C CYS A 32 -8.614 1.295 1.549 1.00 0.00 C ATOM 441 O CYS A 32 -9.732 0.864 1.266 1.00 0.00 O ATOM 442 CB CYS A 32 -7.513 -0.956 1.613 1.00 0.00 C ATOM 443 SG CYS A 32 -5.939 -1.819 1.931 1.00 0.00 S ATOM 0 H CYS A 32 -5.918 0.667 2.710 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.212 0.546 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.125 -0.998 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.056 -1.491 0.834 1.00 0.00 H new ATOM 448 N PHE A 33 -8.416 2.453 2.177 1.00 0.00 N ATOM 449 CA PHE A 33 -9.521 3.316 2.586 1.00 0.00 C ATOM 450 C PHE A 33 -10.716 2.505 3.071 1.00 0.00 C ATOM 451 O PHE A 33 -10.599 1.317 3.369 1.00 0.00 O ATOM 452 CB PHE A 33 -9.955 4.225 1.434 1.00 0.00 C ATOM 453 CG PHE A 33 -9.041 4.178 0.245 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.212 3.215 -0.736 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.012 5.095 0.108 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.376 3.170 -1.834 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.172 5.055 -0.987 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.354 4.090 -1.960 1.00 0.00 C ATOM 0 H PHE A 33 -7.493 2.816 2.415 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.161 3.928 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.959 3.942 1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.012 5.252 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.008 2.491 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.865 5.850 0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.521 2.416 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.374 5.776 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.698 4.056 -2.817 1.00 0.00 H new ATOM 468 N SER A 34 -11.867 3.165 3.146 1.00 0.00 N ATOM 469 CA SER A 34 -13.097 2.523 3.591 1.00 0.00 C ATOM 470 C SER A 34 -14.303 3.116 2.863 1.00 0.00 C ATOM 471 O SER A 34 -14.274 3.292 1.645 1.00 0.00 O ATOM 472 CB SER A 34 -13.257 2.684 5.106 1.00 0.00 C ATOM 473 OG SER A 34 -12.011 2.548 5.769 1.00 0.00 O ATOM 0 H SER A 34 -11.973 4.150 2.903 1.00 0.00 H new ATOM 0 HA SER A 34 -13.041 1.460 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.685 3.662 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.956 1.937 5.482 1.00 0.00 H new ATOM 0 HG SER A 34 -12.141 2.656 6.734 1.00 0.00 H new ATOM 479 N ARG A 35 -15.360 3.428 3.610 1.00 0.00 N ATOM 480 CA ARG A 35 -16.564 4.005 3.022 1.00 0.00 C ATOM 481 C ARG A 35 -16.209 4.991 1.913 1.00 0.00 C ATOM 482 O ARG A 35 -15.142 5.603 1.931 1.00 0.00 O ATOM 483 CB ARG A 35 -17.396 4.710 4.095 1.00 0.00 C ATOM 484 CG ARG A 35 -18.637 5.398 3.549 1.00 0.00 C ATOM 485 CD ARG A 35 -19.261 6.326 4.579 1.00 0.00 C ATOM 486 NE ARG A 35 -20.609 6.738 4.199 1.00 0.00 N ATOM 487 CZ ARG A 35 -21.719 6.214 4.715 1.00 0.00 C ATOM 488 NH1 ARG A 35 -21.645 5.244 5.619 1.00 0.00 N ATOM 489 NH2 ARG A 35 -22.905 6.654 4.320 1.00 0.00 N ATOM 0 H ARG A 35 -15.406 3.291 4.620 1.00 0.00 H new ATOM 0 HA ARG A 35 -17.150 3.193 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.696 3.981 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -16.773 5.449 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -18.376 5.967 2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.366 4.647 3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -19.294 5.824 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -18.633 7.209 4.700 1.00 0.00 H new ATOM 0 HE ARG A 35 -20.706 7.471 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -20.735 4.897 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -22.498 4.846 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.967 7.394 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.755 6.253 4.715 1.00 0.00 H new ATOM 503 N ALA A 36 -17.114 5.141 0.950 1.00 0.00 N ATOM 504 CA ALA A 36 -16.900 6.054 -0.167 1.00 0.00 C ATOM 505 C ALA A 36 -18.228 6.592 -0.691 1.00 0.00 C ATOM 506 O ALA A 36 -19.041 5.843 -1.232 1.00 0.00 O ATOM 507 CB ALA A 36 -16.134 5.356 -1.281 1.00 0.00 C ATOM 0 H ALA A 36 -18.003 4.641 0.921 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.308 6.897 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.982 6.050 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.167 5.023 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.704 4.495 -1.630 1.00 0.00 H new ATOM 513 N TYR A 37 -18.444 7.894 -0.526 1.00 0.00 N ATOM 514 CA TYR A 37 -19.676 8.527 -0.980 1.00 0.00 C ATOM 515 C TYR A 37 -19.825 8.414 -2.497 1.00 0.00 C ATOM 516 O TYR A 37 -20.649 7.642 -2.989 1.00 0.00 O ATOM 517 CB TYR A 37 -19.709 9.993 -0.549 1.00 0.00 C ATOM 518 CG TYR A 37 -20.393 10.224 0.780 1.00 0.00 C ATOM 519 CD1 TYR A 37 -19.997 9.534 1.919 1.00 0.00 C ATOM 520 CD2 TYR A 37 -21.433 11.138 0.894 1.00 0.00 C ATOM 521 CE1 TYR A 37 -20.621 9.748 3.135 1.00 0.00 C ATOM 522 CE2 TYR A 37 -22.060 11.357 2.105 1.00 0.00 C ATOM 523 CZ TYR A 37 -21.651 10.660 3.222 1.00 0.00 C ATOM 524 OH TYR A 37 -22.275 10.876 4.429 1.00 0.00 O ATOM 0 H TYR A 37 -17.782 8.530 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 37 -20.515 8.006 -0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.687 10.368 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -20.219 10.576 -1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -19.190 8.820 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -21.756 11.686 0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -20.303 9.203 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -22.867 12.071 2.177 1.00 0.00 H new ATOM 0 HH TYR A 37 -22.978 11.550 4.318 1.00 0.00 H new ATOM 534 N PRO A 38 -19.026 9.177 -3.265 1.00 0.00 N ATOM 535 CA PRO A 38 -19.078 9.146 -4.729 1.00 0.00 C ATOM 536 C PRO A 38 -19.059 7.724 -5.276 1.00 0.00 C ATOM 537 O PRO A 38 -19.148 6.755 -4.522 1.00 0.00 O ATOM 538 CB PRO A 38 -17.807 9.885 -5.146 1.00 0.00 C ATOM 539 CG PRO A 38 -17.504 10.801 -4.013 1.00 0.00 C ATOM 540 CD PRO A 38 -18.010 10.124 -2.767 1.00 0.00 C ATOM 0 HA PRO A 38 -19.995 9.593 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.986 9.190 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.959 10.440 -6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.433 10.990 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -17.990 11.766 -4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.208 9.608 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.441 10.842 -2.069 1.00 0.00 H new ATOM 548 N THR A 39 -18.933 7.605 -6.592 1.00 0.00 N ATOM 549 CA THR A 39 -18.893 6.300 -7.239 1.00 0.00 C ATOM 550 C THR A 39 -17.515 6.045 -7.839 1.00 0.00 C ATOM 551 O THR A 39 -17.230 6.448 -8.967 1.00 0.00 O ATOM 552 CB THR A 39 -19.967 6.212 -8.325 1.00 0.00 C ATOM 553 OG1 THR A 39 -19.484 6.734 -9.550 1.00 0.00 O ATOM 554 CG2 THR A 39 -21.236 6.960 -7.975 1.00 0.00 C ATOM 0 H THR A 39 -18.857 8.396 -7.232 1.00 0.00 H new ATOM 0 HA THR A 39 -19.092 5.536 -6.488 1.00 0.00 H new ATOM 0 HB THR A 39 -20.203 5.152 -8.413 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.618 6.326 -9.761 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.955 6.857 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.661 6.548 -7.060 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.007 8.015 -7.825 1.00 0.00 H new ATOM 562 N PRO A 40 -16.636 5.378 -7.076 1.00 0.00 N ATOM 563 CA PRO A 40 -15.271 5.071 -7.513 1.00 0.00 C ATOM 564 C PRO A 40 -15.223 4.428 -8.895 1.00 0.00 C ATOM 565 O PRO A 40 -16.206 4.446 -9.636 1.00 0.00 O ATOM 566 CB PRO A 40 -14.776 4.091 -6.449 1.00 0.00 C ATOM 567 CG PRO A 40 -15.551 4.445 -5.229 1.00 0.00 C ATOM 568 CD PRO A 40 -16.906 4.880 -5.715 1.00 0.00 C ATOM 0 HA PRO A 40 -14.663 5.971 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.954 3.058 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.704 4.194 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.633 3.591 -4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.060 5.244 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -17.615 4.052 -5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.331 5.657 -5.079 1.00 0.00 H new ATOM 576 N LEU A 41 -14.067 3.867 -9.234 1.00 0.00 N ATOM 577 CA LEU A 41 -13.876 3.222 -10.527 1.00 0.00 C ATOM 578 C LEU A 41 -14.912 2.127 -10.760 1.00 0.00 C ATOM 579 O LEU A 41 -15.802 1.912 -9.937 1.00 0.00 O ATOM 580 CB LEU A 41 -12.466 2.636 -10.621 1.00 0.00 C ATOM 581 CG LEU A 41 -11.376 3.635 -11.010 1.00 0.00 C ATOM 582 CD1 LEU A 41 -10.160 3.475 -10.110 1.00 0.00 C ATOM 583 CD2 LEU A 41 -10.990 3.462 -12.472 1.00 0.00 C ATOM 0 H LEU A 41 -13.246 3.846 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.004 3.979 -11.301 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.207 2.195 -9.658 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.473 1.826 -11.351 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.769 4.643 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.394 4.194 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.448 3.652 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.765 2.464 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.213 4.181 -12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.616 2.451 -12.632 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.864 3.630 -13.101 1.00 0.00 H new ATOM 595 N ARG A 42 -14.784 1.440 -11.892 1.00 0.00 N ATOM 596 CA ARG A 42 -15.700 0.362 -12.251 1.00 0.00 C ATOM 597 C ARG A 42 -14.955 -0.965 -12.369 1.00 0.00 C ATOM 598 O ARG A 42 -15.560 -2.006 -12.625 1.00 0.00 O ATOM 599 CB ARG A 42 -16.397 0.680 -13.578 1.00 0.00 C ATOM 600 CG ARG A 42 -17.901 0.870 -13.453 1.00 0.00 C ATOM 601 CD ARG A 42 -18.625 0.410 -14.709 1.00 0.00 C ATOM 602 NE ARG A 42 -17.976 0.894 -15.925 1.00 0.00 N ATOM 603 CZ ARG A 42 -18.623 1.135 -17.061 1.00 0.00 C ATOM 604 NH1 ARG A 42 -19.930 0.922 -17.145 1.00 0.00 N ATOM 605 NH2 ARG A 42 -17.960 1.583 -18.119 1.00 0.00 N ATOM 0 H ARG A 42 -14.051 1.612 -12.580 1.00 0.00 H new ATOM 0 HA ARG A 42 -16.447 0.275 -11.462 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.960 1.585 -13.999 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.200 -0.127 -14.283 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -18.270 0.311 -12.593 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -18.122 1.921 -13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.662 -0.679 -14.727 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -19.656 0.764 -14.683 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.969 1.056 -15.901 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -20.443 0.572 -16.336 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -20.422 1.108 -18.019 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.954 1.742 -18.061 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.456 1.768 -18.991 1.00 0.00 H new ATOM 619 N SER A 43 -13.637 -0.920 -12.188 1.00 0.00 N ATOM 620 CA SER A 43 -12.810 -2.118 -12.281 1.00 0.00 C ATOM 621 C SER A 43 -13.524 -3.329 -11.687 1.00 0.00 C ATOM 622 O SER A 43 -14.128 -4.120 -12.413 1.00 0.00 O ATOM 623 CB SER A 43 -11.468 -1.897 -11.578 1.00 0.00 C ATOM 624 OG SER A 43 -11.229 -0.518 -11.358 1.00 0.00 O ATOM 0 H SER A 43 -13.120 -0.067 -11.976 1.00 0.00 H new ATOM 0 HA SER A 43 -12.627 -2.317 -13.337 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.461 -2.427 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.664 -2.317 -12.182 1.00 0.00 H new ATOM 0 HG SER A 43 -10.367 -0.403 -10.906 1.00 0.00 H new ATOM 630 N LYS A 44 -13.455 -3.473 -10.366 1.00 0.00 N ATOM 631 CA LYS A 44 -14.099 -4.592 -9.690 1.00 0.00 C ATOM 632 C LYS A 44 -15.555 -4.272 -9.374 1.00 0.00 C ATOM 633 O LYS A 44 -15.848 -3.368 -8.592 1.00 0.00 O ATOM 634 CB LYS A 44 -13.353 -4.943 -8.401 1.00 0.00 C ATOM 635 CG LYS A 44 -11.844 -4.810 -8.513 1.00 0.00 C ATOM 636 CD LYS A 44 -11.276 -5.784 -9.531 1.00 0.00 C ATOM 637 CE LYS A 44 -10.983 -5.096 -10.854 1.00 0.00 C ATOM 638 NZ LYS A 44 -9.863 -5.750 -11.585 1.00 0.00 N ATOM 0 H LYS A 44 -12.961 -2.831 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.069 -5.450 -10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.707 -4.296 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.599 -5.966 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.587 -3.790 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.388 -4.991 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.361 -6.229 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.983 -6.598 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.878 -5.109 -11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.736 -4.050 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.695 -5.251 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.002 -5.716 -11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.109 -6.741 -11.782 1.00 0.00 H new ATOM 652 N LYS A 45 -16.464 -5.021 -9.988 1.00 0.00 N ATOM 653 CA LYS A 45 -17.891 -4.821 -9.772 1.00 0.00 C ATOM 654 C LYS A 45 -18.384 -5.678 -8.611 1.00 0.00 C ATOM 655 O LYS A 45 -18.740 -5.159 -7.553 1.00 0.00 O ATOM 656 CB LYS A 45 -18.673 -5.162 -11.041 1.00 0.00 C ATOM 657 CG LYS A 45 -20.151 -5.420 -10.793 1.00 0.00 C ATOM 658 CD LYS A 45 -20.880 -5.771 -12.081 1.00 0.00 C ATOM 659 CE LYS A 45 -20.364 -4.955 -13.256 1.00 0.00 C ATOM 660 NZ LYS A 45 -20.437 -3.491 -12.991 1.00 0.00 N ATOM 0 H LYS A 45 -16.237 -5.772 -10.639 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.056 -3.772 -9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.570 -4.343 -11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.231 -6.044 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.264 -6.234 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.606 -4.536 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.756 -6.833 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.948 -5.594 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.332 -5.235 -13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.946 -5.192 -14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.977 -3.027 -13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.909 -3.326 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.476 -3.096 -12.960 1.00 0.00 H new ATOM 674 N THR A 46 -18.396 -6.993 -8.819 1.00 0.00 N ATOM 675 CA THR A 46 -18.839 -7.934 -7.795 1.00 0.00 C ATOM 676 C THR A 46 -19.860 -7.294 -6.858 1.00 0.00 C ATOM 677 O THR A 46 -19.492 -6.598 -5.912 1.00 0.00 O ATOM 678 CB THR A 46 -17.642 -8.442 -6.991 1.00 0.00 C ATOM 679 OG1 THR A 46 -16.658 -8.991 -7.850 1.00 0.00 O ATOM 680 CG2 THR A 46 -18.011 -9.502 -5.976 1.00 0.00 C ATOM 0 H THR A 46 -18.102 -7.432 -9.692 1.00 0.00 H new ATOM 0 HA THR A 46 -19.318 -8.774 -8.298 1.00 0.00 H new ATOM 0 HB THR A 46 -17.259 -7.571 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.899 -9.309 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.117 -9.819 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.732 -9.093 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.450 -10.358 -6.488 1.00 0.00 H new ATOM 688 N MET A 47 -21.141 -7.536 -7.128 1.00 0.00 N ATOM 689 CA MET A 47 -22.221 -6.985 -6.312 1.00 0.00 C ATOM 690 C MET A 47 -21.751 -6.702 -4.887 1.00 0.00 C ATOM 691 O MET A 47 -21.156 -5.659 -4.615 1.00 0.00 O ATOM 692 CB MET A 47 -23.407 -7.951 -6.286 1.00 0.00 C ATOM 693 CG MET A 47 -24.291 -7.862 -7.518 1.00 0.00 C ATOM 694 SD MET A 47 -24.738 -9.482 -8.170 1.00 0.00 S ATOM 695 CE MET A 47 -23.405 -9.755 -9.335 1.00 0.00 C ATOM 0 H MET A 47 -21.457 -8.112 -7.908 1.00 0.00 H new ATOM 0 HA MET A 47 -22.532 -6.042 -6.761 1.00 0.00 H new ATOM 0 HB2 MET A 47 -23.033 -8.970 -6.191 1.00 0.00 H new ATOM 0 HB3 MET A 47 -24.010 -7.749 -5.401 1.00 0.00 H new ATOM 0 HG2 MET A 47 -25.198 -7.311 -7.270 1.00 0.00 H new ATOM 0 HG3 MET A 47 -23.774 -7.293 -8.291 1.00 0.00 H new ATOM 0 HE1 MET A 47 -23.577 -10.687 -9.873 1.00 0.00 H new ATOM 0 HE2 MET A 47 -23.366 -8.928 -10.044 1.00 0.00 H new ATOM 0 HE3 MET A 47 -22.459 -9.816 -8.797 1.00 0.00 H new ATOM 705 N LEU A 48 -22.020 -7.638 -3.982 1.00 0.00 N ATOM 706 CA LEU A 48 -21.621 -7.492 -2.588 1.00 0.00 C ATOM 707 C LEU A 48 -21.648 -8.843 -1.879 1.00 0.00 C ATOM 708 O LEU A 48 -22.714 -9.393 -1.603 1.00 0.00 O ATOM 709 CB LEU A 48 -22.535 -6.493 -1.869 1.00 0.00 C ATOM 710 CG LEU A 48 -23.794 -7.091 -1.239 1.00 0.00 C ATOM 711 CD1 LEU A 48 -24.540 -6.038 -0.433 1.00 0.00 C ATOM 712 CD2 LEU A 48 -24.697 -7.681 -2.313 1.00 0.00 C ATOM 0 H LEU A 48 -22.513 -8.506 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 48 -20.601 -7.108 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -21.959 -5.997 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.836 -5.724 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 48 -23.494 -7.891 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -25.433 -6.482 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -23.893 -5.661 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -24.829 -5.216 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -25.588 -8.102 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -24.989 -6.898 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -24.162 -8.465 -2.848 1.00 0.00 H new ATOM 724 N VAL A 49 -20.464 -9.377 -1.597 1.00 0.00 N ATOM 725 CA VAL A 49 -20.347 -10.666 -0.927 1.00 0.00 C ATOM 726 C VAL A 49 -19.728 -10.509 0.457 1.00 0.00 C ATOM 727 O VAL A 49 -18.676 -9.888 0.609 1.00 0.00 O ATOM 728 CB VAL A 49 -19.494 -11.651 -1.749 1.00 0.00 C ATOM 729 CG1 VAL A 49 -20.157 -11.950 -3.086 1.00 0.00 C ATOM 730 CG2 VAL A 49 -18.089 -11.101 -1.953 1.00 0.00 C ATOM 0 H VAL A 49 -19.572 -8.936 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 49 -21.356 -11.066 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 49 -19.417 -12.585 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -19.538 -12.647 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -21.138 -12.392 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.270 -11.025 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.502 -11.811 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -18.144 -10.152 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.614 -10.947 -0.984 1.00 0.00 H new ATOM 740 N GLN A 50 -20.386 -11.074 1.463 1.00 0.00 N ATOM 741 CA GLN A 50 -19.896 -10.992 2.833 1.00 0.00 C ATOM 742 C GLN A 50 -20.179 -9.618 3.429 1.00 0.00 C ATOM 743 O GLN A 50 -20.648 -8.715 2.736 1.00 0.00 O ATOM 744 CB GLN A 50 -18.394 -11.274 2.875 1.00 0.00 C ATOM 745 CG GLN A 50 -18.023 -12.480 3.721 1.00 0.00 C ATOM 746 CD GLN A 50 -17.215 -13.506 2.951 1.00 0.00 C ATOM 747 OE1 GLN A 50 -17.665 -14.029 1.931 1.00 0.00 O ATOM 748 NE2 GLN A 50 -16.015 -13.798 3.437 1.00 0.00 N ATOM 0 H GLN A 50 -21.258 -11.592 1.356 1.00 0.00 H new ATOM 0 HA GLN A 50 -20.419 -11.743 3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.034 -11.430 1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -17.879 -10.396 3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.451 -12.149 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.932 -12.948 4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -15.683 -13.340 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.425 -14.481 2.962 1.00 0.00 H new ATOM 757 N LYS A 51 -19.887 -9.466 4.717 1.00 0.00 N ATOM 758 CA LYS A 51 -20.106 -8.199 5.404 1.00 0.00 C ATOM 759 C LYS A 51 -18.916 -7.851 6.293 1.00 0.00 C ATOM 760 O LYS A 51 -18.501 -8.648 7.135 1.00 0.00 O ATOM 761 CB LYS A 51 -21.383 -8.260 6.243 1.00 0.00 C ATOM 762 CG LYS A 51 -21.833 -9.674 6.571 1.00 0.00 C ATOM 763 CD LYS A 51 -22.360 -9.773 7.994 1.00 0.00 C ATOM 764 CE LYS A 51 -22.978 -11.134 8.268 1.00 0.00 C ATOM 765 NZ LYS A 51 -22.999 -11.451 9.723 1.00 0.00 N ATOM 0 H LYS A 51 -19.499 -10.204 5.305 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.215 -7.420 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.222 -7.715 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.183 -7.749 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.610 -9.981 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.998 -10.362 6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.547 -9.594 8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.104 -8.994 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.995 -11.156 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.415 -11.902 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.428 -12.387 9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.026 -11.455 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.557 -10.733 10.227 1.00 0.00 H new ATOM 779 N ASN A 52 -18.371 -6.654 6.101 1.00 0.00 N ATOM 780 CA ASN A 52 -17.229 -6.202 6.885 1.00 0.00 C ATOM 781 C ASN A 52 -17.684 -5.442 8.126 1.00 0.00 C ATOM 782 O ASN A 52 -18.540 -4.561 8.049 1.00 0.00 O ATOM 783 CB ASN A 52 -16.320 -5.314 6.035 1.00 0.00 C ATOM 784 CG ASN A 52 -14.858 -5.454 6.412 1.00 0.00 C ATOM 785 OD1 ASN A 52 -14.446 -5.053 7.500 1.00 0.00 O ATOM 786 ND2 ASN A 52 -14.067 -6.028 5.514 1.00 0.00 N ATOM 0 H ASN A 52 -18.702 -5.981 5.410 1.00 0.00 H new ATOM 0 HA ASN A 52 -16.671 -7.082 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.447 -5.570 4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.624 -4.273 6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.074 -6.152 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.452 -6.346 4.624 1.00 0.00 H new ATOM 793 N VAL A 53 -17.101 -5.785 9.271 1.00 0.00 N ATOM 794 CA VAL A 53 -17.442 -5.132 10.529 1.00 0.00 C ATOM 795 C VAL A 53 -16.187 -4.678 11.266 1.00 0.00 C ATOM 796 O VAL A 53 -15.071 -5.030 10.884 1.00 0.00 O ATOM 797 CB VAL A 53 -18.259 -6.063 11.448 1.00 0.00 C ATOM 798 CG1 VAL A 53 -17.342 -7.021 12.193 1.00 0.00 C ATOM 799 CG2 VAL A 53 -19.095 -5.249 12.425 1.00 0.00 C ATOM 0 H VAL A 53 -16.390 -6.512 9.353 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.050 -4.263 10.279 1.00 0.00 H new ATOM 0 HB VAL A 53 -18.934 -6.652 10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -17.938 -7.669 12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.791 -7.629 11.476 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.639 -6.452 12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.665 -5.922 13.065 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -18.439 -4.632 13.039 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.781 -4.608 11.871 1.00 0.00 H new ATOM 809 N THR A 54 -16.380 -3.895 12.325 1.00 0.00 N ATOM 810 CA THR A 54 -15.270 -3.386 13.127 1.00 0.00 C ATOM 811 C THR A 54 -14.044 -4.289 13.016 1.00 0.00 C ATOM 812 O THR A 54 -14.002 -5.369 13.606 1.00 0.00 O ATOM 813 CB THR A 54 -15.694 -3.267 14.591 1.00 0.00 C ATOM 814 OG1 THR A 54 -17.105 -3.314 14.710 1.00 0.00 O ATOM 815 CG2 THR A 54 -15.219 -1.991 15.251 1.00 0.00 C ATOM 0 H THR A 54 -17.300 -3.598 12.649 1.00 0.00 H new ATOM 0 HA THR A 54 -15.003 -2.401 12.743 1.00 0.00 H new ATOM 0 HB THR A 54 -15.227 -4.112 15.096 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.356 -3.238 15.654 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.554 -1.971 16.288 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.130 -1.949 15.221 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.630 -1.132 14.720 1.00 0.00 H new ATOM 823 N SER A 55 -13.047 -3.839 12.257 1.00 0.00 N ATOM 824 CA SER A 55 -11.820 -4.609 12.072 1.00 0.00 C ATOM 825 C SER A 55 -10.875 -3.911 11.096 1.00 0.00 C ATOM 826 O SER A 55 -10.547 -4.449 10.038 1.00 0.00 O ATOM 827 CB SER A 55 -12.150 -6.015 11.566 1.00 0.00 C ATOM 828 OG SER A 55 -12.188 -6.055 10.150 1.00 0.00 O ATOM 0 H SER A 55 -13.065 -2.948 11.762 1.00 0.00 H new ATOM 0 HA SER A 55 -11.319 -4.684 13.037 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.404 -6.720 11.932 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.113 -6.332 11.967 1.00 0.00 H new ATOM 0 HG SER A 55 -11.303 -5.834 9.793 1.00 0.00 H new ATOM 834 N GLU A 56 -10.439 -2.709 11.458 1.00 0.00 N ATOM 835 CA GLU A 56 -9.533 -1.936 10.614 1.00 0.00 C ATOM 836 C GLU A 56 -8.103 -2.459 10.719 1.00 0.00 C ATOM 837 O GLU A 56 -7.265 -1.865 11.397 1.00 0.00 O ATOM 838 CB GLU A 56 -9.577 -0.458 11.004 1.00 0.00 C ATOM 839 CG GLU A 56 -9.247 -0.207 12.465 1.00 0.00 C ATOM 840 CD GLU A 56 -7.987 0.618 12.643 1.00 0.00 C ATOM 841 OE1 GLU A 56 -7.929 1.739 12.095 1.00 0.00 O ATOM 842 OE2 GLU A 56 -7.058 0.144 13.330 1.00 0.00 O ATOM 0 H GLU A 56 -10.698 -2.248 12.330 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.862 -2.044 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.874 0.095 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.571 -0.064 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.083 0.306 12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.127 -1.162 12.976 1.00 0.00 H new ATOM 849 N SER A 57 -7.831 -3.570 10.043 1.00 0.00 N ATOM 850 CA SER A 57 -6.500 -4.167 10.062 1.00 0.00 C ATOM 851 C SER A 57 -5.939 -4.298 8.650 1.00 0.00 C ATOM 852 O SER A 57 -4.979 -5.031 8.418 1.00 0.00 O ATOM 853 CB SER A 57 -6.546 -5.541 10.728 1.00 0.00 C ATOM 854 OG SER A 57 -5.942 -5.507 12.009 1.00 0.00 O ATOM 0 H SER A 57 -8.513 -4.075 9.476 1.00 0.00 H new ATOM 0 HA SER A 57 -5.845 -3.511 10.635 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.581 -5.870 10.819 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.034 -6.270 10.100 1.00 0.00 H new ATOM 0 HG SER A 57 -5.986 -6.398 12.415 1.00 0.00 H new ATOM 860 N THR A 58 -6.547 -3.584 7.709 1.00 0.00 N ATOM 861 CA THR A 58 -6.108 -3.624 6.318 1.00 0.00 C ATOM 862 C THR A 58 -4.655 -3.180 6.189 1.00 0.00 C ATOM 863 O THR A 58 -4.059 -2.683 7.145 1.00 0.00 O ATOM 864 CB THR A 58 -7.002 -2.736 5.453 1.00 0.00 C ATOM 865 OG1 THR A 58 -7.524 -1.661 6.212 1.00 0.00 O ATOM 866 CG2 THR A 58 -8.172 -3.478 4.845 1.00 0.00 C ATOM 0 H THR A 58 -7.344 -2.971 7.883 1.00 0.00 H new ATOM 0 HA THR A 58 -6.185 -4.655 5.971 1.00 0.00 H new ATOM 0 HB THR A 58 -6.361 -2.377 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.385 -1.922 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.766 -2.790 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.802 -4.286 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.792 -3.893 5.639 1.00 0.00 H new ATOM 874 N CYS A 59 -4.092 -3.359 4.998 1.00 0.00 N ATOM 875 CA CYS A 59 -2.710 -2.975 4.739 1.00 0.00 C ATOM 876 C CYS A 59 -2.183 -3.658 3.488 1.00 0.00 C ATOM 877 O CYS A 59 -2.380 -4.855 3.286 1.00 0.00 O ATOM 878 CB CYS A 59 -1.829 -3.312 5.940 1.00 0.00 C ATOM 879 SG CYS A 59 -0.072 -3.574 5.541 1.00 0.00 S ATOM 0 H CYS A 59 -4.573 -3.768 4.197 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.682 -1.898 4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.906 -2.505 6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.218 -4.211 6.418 1.00 0.00 H new ATOM 884 N CYS A 60 -1.519 -2.881 2.649 1.00 0.00 N ATOM 885 CA CYS A 60 -0.969 -3.394 1.402 1.00 0.00 C ATOM 886 C CYS A 60 0.462 -3.886 1.584 1.00 0.00 C ATOM 887 O CYS A 60 1.418 -3.175 1.274 1.00 0.00 O ATOM 888 CB CYS A 60 -1.015 -2.313 0.324 1.00 0.00 C ATOM 889 SG CYS A 60 -2.435 -1.181 0.469 1.00 0.00 S ATOM 0 H CYS A 60 -1.346 -1.888 2.808 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.580 -4.242 1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.094 -1.731 0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.044 -2.792 -0.655 1.00 0.00 H new ATOM 894 N VAL A 61 0.602 -5.111 2.075 1.00 0.00 N ATOM 895 CA VAL A 61 1.916 -5.701 2.282 1.00 0.00 C ATOM 896 C VAL A 61 2.454 -6.274 0.977 1.00 0.00 C ATOM 897 O VAL A 61 2.107 -7.390 0.592 1.00 0.00 O ATOM 898 CB VAL A 61 1.871 -6.816 3.344 1.00 0.00 C ATOM 899 CG1 VAL A 61 3.266 -7.364 3.605 1.00 0.00 C ATOM 900 CG2 VAL A 61 1.241 -6.298 4.629 1.00 0.00 C ATOM 0 H VAL A 61 -0.178 -5.714 2.337 1.00 0.00 H new ATOM 0 HA VAL A 61 2.576 -4.909 2.635 1.00 0.00 H new ATOM 0 HB VAL A 61 1.254 -7.631 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.213 -8.150 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.675 -7.773 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.911 -6.562 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.216 -7.097 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.830 -5.465 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.225 -5.960 4.426 1.00 0.00 H new ATOM 910 N ALA A 62 3.295 -5.494 0.299 1.00 0.00 N ATOM 911 CA ALA A 62 3.881 -5.907 -0.974 1.00 0.00 C ATOM 912 C ALA A 62 3.684 -7.395 -1.233 1.00 0.00 C ATOM 913 O ALA A 62 4.303 -8.238 -0.584 1.00 0.00 O ATOM 914 CB ALA A 62 5.360 -5.561 -1.014 1.00 0.00 C ATOM 0 H ALA A 62 3.586 -4.568 0.613 1.00 0.00 H new ATOM 0 HA ALA A 62 3.363 -5.362 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.781 -5.875 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.485 -4.484 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.876 -6.075 -0.203 1.00 0.00 H new ATOM 920 N LYS A 63 2.830 -7.710 -2.200 1.00 0.00 N ATOM 921 CA LYS A 63 2.565 -9.087 -2.563 1.00 0.00 C ATOM 922 C LYS A 63 3.861 -9.762 -2.952 1.00 0.00 C ATOM 923 O LYS A 63 4.060 -10.954 -2.718 1.00 0.00 O ATOM 924 CB LYS A 63 1.591 -9.147 -3.733 1.00 0.00 C ATOM 925 CG LYS A 63 1.052 -10.540 -3.981 1.00 0.00 C ATOM 926 CD LYS A 63 0.779 -10.789 -5.456 1.00 0.00 C ATOM 927 CE LYS A 63 -0.650 -10.426 -5.827 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.646 -11.260 -5.096 1.00 0.00 N ATOM 0 H LYS A 63 2.310 -7.023 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 63 2.123 -9.600 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.759 -8.470 -3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.091 -8.791 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.767 -11.276 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.132 -10.680 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.473 -10.203 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.961 -11.838 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.826 -9.373 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.789 -10.553 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.512 -11.345 -5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.249 -12.206 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.873 -10.811 -4.186 1.00 0.00 H new ATOM 942 N SER A 64 4.742 -8.974 -3.544 1.00 0.00 N ATOM 943 CA SER A 64 6.036 -9.465 -3.970 1.00 0.00 C ATOM 944 C SER A 64 7.075 -8.356 -3.874 1.00 0.00 C ATOM 945 O SER A 64 6.914 -7.295 -4.472 1.00 0.00 O ATOM 946 CB SER A 64 5.969 -9.997 -5.402 1.00 0.00 C ATOM 947 OG SER A 64 5.625 -11.371 -5.420 1.00 0.00 O ATOM 0 H SER A 64 4.581 -7.986 -3.740 1.00 0.00 H new ATOM 0 HA SER A 64 6.326 -10.283 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.234 -9.427 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.932 -9.854 -5.892 1.00 0.00 H new ATOM 0 HG SER A 64 5.070 -11.580 -4.639 1.00 0.00 H new ATOM 953 N TYR A 65 8.129 -8.599 -3.109 1.00 0.00 N ATOM 954 CA TYR A 65 9.182 -7.607 -2.928 1.00 0.00 C ATOM 955 C TYR A 65 10.452 -8.005 -3.655 1.00 0.00 C ATOM 956 O TYR A 65 10.714 -9.190 -3.863 1.00 0.00 O ATOM 957 CB TYR A 65 9.509 -7.453 -1.444 1.00 0.00 C ATOM 958 CG TYR A 65 9.529 -8.767 -0.699 1.00 0.00 C ATOM 959 CD1 TYR A 65 8.352 -9.360 -0.266 1.00 0.00 C ATOM 960 CD2 TYR A 65 10.728 -9.415 -0.433 1.00 0.00 C ATOM 961 CE1 TYR A 65 8.367 -10.565 0.410 1.00 0.00 C ATOM 962 CE2 TYR A 65 10.753 -10.620 0.243 1.00 0.00 C ATOM 963 CZ TYR A 65 9.571 -11.190 0.663 1.00 0.00 C ATOM 964 OH TYR A 65 9.590 -12.391 1.335 1.00 0.00 O ATOM 0 H TYR A 65 8.279 -9.472 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 65 8.814 -6.667 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.481 -6.970 -1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.774 -6.793 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.408 -8.872 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.656 -8.970 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.442 -11.015 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.694 -11.112 0.441 1.00 0.00 H new ATOM 0 HH TYR A 65 10.516 -12.698 1.431 1.00 0.00 H new ATOM 974 N ASN A 66 11.271 -7.015 -3.986 1.00 0.00 N ATOM 975 CA ASN A 66 12.549 -7.290 -4.624 1.00 0.00 C ATOM 976 C ASN A 66 13.617 -6.595 -3.820 1.00 0.00 C ATOM 977 O ASN A 66 14.693 -6.246 -4.304 1.00 0.00 O ATOM 978 CB ASN A 66 12.559 -6.839 -6.084 1.00 0.00 C ATOM 979 CG ASN A 66 12.943 -7.953 -7.038 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.359 -9.036 -7.013 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.932 -7.692 -7.884 1.00 0.00 N ATOM 0 H ASN A 66 11.076 -6.027 -3.825 1.00 0.00 H new ATOM 0 HA ASN A 66 12.734 -8.364 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.571 -6.462 -6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.258 -6.010 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.236 -8.404 -8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.388 -6.780 -7.870 1.00 0.00 H new ATOM 988 N ARG A 67 13.253 -6.412 -2.568 1.00 0.00 N ATOM 989 CA ARG A 67 14.079 -5.763 -1.563 1.00 0.00 C ATOM 990 C ARG A 67 15.458 -5.419 -2.098 1.00 0.00 C ATOM 991 O ARG A 67 16.286 -6.293 -2.355 1.00 0.00 O ATOM 992 CB ARG A 67 14.195 -6.670 -0.350 1.00 0.00 C ATOM 993 CG ARG A 67 14.329 -8.119 -0.741 1.00 0.00 C ATOM 994 CD ARG A 67 14.927 -8.955 0.376 1.00 0.00 C ATOM 995 NE ARG A 67 15.776 -10.024 -0.141 1.00 0.00 N ATOM 996 CZ ARG A 67 15.848 -11.235 0.399 1.00 0.00 C ATOM 997 NH1 ARG A 67 15.143 -11.525 1.485 1.00 0.00 N ATOM 998 NH2 ARG A 67 16.631 -12.158 -0.142 1.00 0.00 N ATOM 0 H ARG A 67 12.349 -6.718 -2.208 1.00 0.00 H new ATOM 0 HA ARG A 67 13.601 -4.825 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.060 -6.373 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.316 -6.545 0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.349 -8.515 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.956 -8.199 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.511 -8.314 1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.126 -9.386 0.976 1.00 0.00 H new ATOM 0 HE ARG A 67 16.346 -9.830 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.543 -10.817 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.201 -12.456 1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.179 -11.938 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.686 -13.088 0.274 1.00 0.00 H new ATOM 1012 N VAL A 68 15.684 -4.130 -2.247 1.00 0.00 N ATOM 1013 CA VAL A 68 16.953 -3.614 -2.736 1.00 0.00 C ATOM 1014 C VAL A 68 17.698 -2.905 -1.618 1.00 0.00 C ATOM 1015 O VAL A 68 18.206 -1.798 -1.796 1.00 0.00 O ATOM 1016 CB VAL A 68 16.752 -2.637 -3.913 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.803 -3.221 -4.948 1.00 0.00 C ATOM 1018 CG2 VAL A 68 16.230 -1.296 -3.416 1.00 0.00 C ATOM 0 H VAL A 68 14.996 -3.408 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 68 17.537 -4.464 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 68 17.721 -2.479 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.678 -2.513 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.215 -4.154 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.835 -3.415 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.095 -0.622 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.274 -1.442 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.946 -0.863 -2.718 1.00 0.00 H new ATOM 1028 N THR A 69 17.737 -3.552 -0.460 1.00 0.00 N ATOM 1029 CA THR A 69 18.395 -2.996 0.714 1.00 0.00 C ATOM 1030 C THR A 69 19.449 -1.978 0.326 1.00 0.00 C ATOM 1031 O THR A 69 20.417 -2.295 -0.365 1.00 0.00 O ATOM 1032 CB THR A 69 19.035 -4.085 1.566 1.00 0.00 C ATOM 1033 OG1 THR A 69 18.070 -5.034 1.986 1.00 0.00 O ATOM 1034 CG2 THR A 69 19.702 -3.520 2.800 1.00 0.00 C ATOM 0 H THR A 69 17.317 -4.469 -0.309 1.00 0.00 H new ATOM 0 HA THR A 69 17.621 -2.500 1.301 1.00 0.00 H new ATOM 0 HB THR A 69 19.786 -4.562 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 69 18.505 -5.724 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.145 -4.331 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.481 -2.818 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 69 18.961 -3.003 3.410 1.00 0.00 H new ATOM 1042 N VAL A 70 19.246 -0.753 0.773 1.00 0.00 N ATOM 1043 CA VAL A 70 20.170 0.327 0.474 1.00 0.00 C ATOM 1044 C VAL A 70 20.614 1.061 1.726 1.00 0.00 C ATOM 1045 O VAL A 70 20.377 0.619 2.850 1.00 0.00 O ATOM 1046 CB VAL A 70 19.552 1.349 -0.495 1.00 0.00 C ATOM 1047 CG1 VAL A 70 20.536 1.690 -1.603 1.00 0.00 C ATOM 1048 CG2 VAL A 70 18.245 0.824 -1.073 1.00 0.00 C ATOM 0 H VAL A 70 18.448 -0.480 1.346 1.00 0.00 H new ATOM 0 HA VAL A 70 21.036 -0.143 0.008 1.00 0.00 H new ATOM 0 HB VAL A 70 19.331 2.261 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 70 20.084 2.414 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 70 21.441 2.115 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.790 0.785 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.826 1.563 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.433 -0.104 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.539 0.636 -0.264 1.00 0.00 H new ATOM 1058 N MET A 71 21.270 2.188 1.506 1.00 0.00 N ATOM 1059 CA MET A 71 21.776 3.013 2.591 1.00 0.00 C ATOM 1060 C MET A 71 22.235 2.150 3.757 1.00 0.00 C ATOM 1061 O MET A 71 22.949 1.164 3.570 1.00 0.00 O ATOM 1062 CB MET A 71 20.716 4.009 3.063 1.00 0.00 C ATOM 1063 CG MET A 71 19.760 4.446 1.977 1.00 0.00 C ATOM 1064 SD MET A 71 20.052 6.141 1.432 1.00 0.00 S ATOM 1065 CE MET A 71 18.980 7.047 2.546 1.00 0.00 C ATOM 0 H MET A 71 21.466 2.556 0.575 1.00 0.00 H new ATOM 0 HA MET A 71 22.631 3.572 2.211 1.00 0.00 H new ATOM 0 HB2 MET A 71 20.146 3.560 3.876 1.00 0.00 H new ATOM 0 HB3 MET A 71 21.214 4.889 3.471 1.00 0.00 H new ATOM 0 HG2 MET A 71 19.853 3.773 1.124 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.737 4.357 2.342 1.00 0.00 H new ATOM 0 HE1 MET A 71 19.091 8.117 2.368 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.944 6.756 2.372 1.00 0.00 H new ATOM 0 HE3 MET A 71 19.252 6.821 3.577 1.00 0.00 H new ATOM 1075 N GLY A 72 21.820 2.526 4.959 1.00 0.00 N ATOM 1076 CA GLY A 72 22.194 1.780 6.138 1.00 0.00 C ATOM 1077 C GLY A 72 21.355 0.531 6.338 1.00 0.00 C ATOM 1078 O GLY A 72 21.182 0.068 7.465 1.00 0.00 O ATOM 0 H GLY A 72 21.229 3.338 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.244 1.498 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 72 22.096 2.421 7.014 1.00 0.00 H new ATOM 1082 N GLY A 73 20.835 -0.020 5.244 1.00 0.00 N ATOM 1083 CA GLY A 73 20.023 -1.219 5.334 1.00 0.00 C ATOM 1084 C GLY A 73 18.549 -0.953 5.090 1.00 0.00 C ATOM 1085 O GLY A 73 17.692 -1.537 5.753 1.00 0.00 O ATOM 0 H GLY A 73 20.962 0.343 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.380 -1.949 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 73 20.148 -1.664 6.321 1.00 0.00 H new ATOM 1089 N PHE A 74 18.249 -0.071 4.139 1.00 0.00 N ATOM 1090 CA PHE A 74 16.863 0.259 3.824 1.00 0.00 C ATOM 1091 C PHE A 74 16.253 -0.779 2.895 1.00 0.00 C ATOM 1092 O PHE A 74 16.630 -0.884 1.730 1.00 0.00 O ATOM 1093 CB PHE A 74 16.767 1.642 3.183 1.00 0.00 C ATOM 1094 CG PHE A 74 17.131 2.764 4.111 1.00 0.00 C ATOM 1095 CD1 PHE A 74 18.269 2.692 4.896 1.00 0.00 C ATOM 1096 CD2 PHE A 74 16.334 3.894 4.194 1.00 0.00 C ATOM 1097 CE1 PHE A 74 18.607 3.725 5.746 1.00 0.00 C ATOM 1098 CE2 PHE A 74 16.665 4.931 5.042 1.00 0.00 C ATOM 1099 CZ PHE A 74 17.805 4.847 5.820 1.00 0.00 C ATOM 0 H PHE A 74 18.942 0.424 3.578 1.00 0.00 H new ATOM 0 HA PHE A 74 16.305 0.263 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 74 17.422 1.675 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 74 15.750 1.796 2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 74 18.900 1.817 4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.443 3.964 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 74 19.498 3.656 6.353 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.035 5.806 5.098 1.00 0.00 H new ATOM 0 HZ PHE A 74 18.068 5.657 6.484 1.00 0.00 H new ATOM 1109 N LYS A 75 15.309 -1.544 3.423 1.00 0.00 N ATOM 1110 CA LYS A 75 14.649 -2.583 2.646 1.00 0.00 C ATOM 1111 C LYS A 75 13.333 -2.091 2.047 1.00 0.00 C ATOM 1112 O LYS A 75 12.309 -2.038 2.727 1.00 0.00 O ATOM 1113 CB LYS A 75 14.398 -3.816 3.519 1.00 0.00 C ATOM 1114 CG LYS A 75 15.386 -3.961 4.666 1.00 0.00 C ATOM 1115 CD LYS A 75 15.671 -5.421 4.980 1.00 0.00 C ATOM 1116 CE LYS A 75 16.691 -5.560 6.098 1.00 0.00 C ATOM 1117 NZ LYS A 75 16.104 -5.234 7.428 1.00 0.00 N ATOM 0 H LYS A 75 14.983 -1.465 4.386 1.00 0.00 H new ATOM 0 HA LYS A 75 15.311 -2.850 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.388 -3.764 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.445 -4.708 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.317 -3.455 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.988 -3.469 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.745 -5.920 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.040 -5.922 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.078 -6.579 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.536 -4.900 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.831 -5.341 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.757 -4.254 7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.313 -5.880 7.626 1.00 0.00 H new ATOM 1131 N VAL A 76 13.369 -1.763 0.758 1.00 0.00 N ATOM 1132 CA VAL A 76 12.180 -1.307 0.038 1.00 0.00 C ATOM 1133 C VAL A 76 11.450 -2.490 -0.506 1.00 0.00 C ATOM 1134 O VAL A 76 10.614 -2.371 -1.401 1.00 0.00 O ATOM 1135 CB VAL A 76 12.562 -0.415 -1.162 1.00 0.00 C ATOM 1136 CG1 VAL A 76 13.106 0.922 -0.678 1.00 0.00 C ATOM 1137 CG2 VAL A 76 13.612 -1.164 -1.975 1.00 0.00 C ATOM 0 H VAL A 76 14.213 -1.804 0.187 1.00 0.00 H new ATOM 0 HA VAL A 76 11.565 -0.741 0.737 1.00 0.00 H new ATOM 0 HB VAL A 76 11.687 -0.206 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.371 1.539 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.346 1.431 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.992 0.754 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.906 -0.561 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.485 -1.357 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.197 -2.110 -2.322 1.00 0.00 H new ATOM 1147 N GLU A 77 11.816 -3.636 0.015 1.00 0.00 N ATOM 1148 CA GLU A 77 11.249 -4.888 -0.449 1.00 0.00 C ATOM 1149 C GLU A 77 10.915 -4.702 -1.911 1.00 0.00 C ATOM 1150 O GLU A 77 9.901 -5.183 -2.410 1.00 0.00 O ATOM 1151 CB GLU A 77 10.005 -5.253 0.362 1.00 0.00 C ATOM 1152 CG GLU A 77 10.107 -6.597 1.059 1.00 0.00 C ATOM 1153 CD GLU A 77 10.539 -6.471 2.506 1.00 0.00 C ATOM 1154 OE1 GLU A 77 11.576 -5.823 2.762 1.00 0.00 O ATOM 1155 OE2 GLU A 77 9.840 -7.022 3.384 1.00 0.00 O ATOM 0 H GLU A 77 12.504 -3.732 0.762 1.00 0.00 H new ATOM 0 HA GLU A 77 11.955 -5.708 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.828 -4.479 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.139 -5.261 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.141 -7.100 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.819 -7.226 0.525 1.00 0.00 H new ATOM 1162 N ASN A 78 11.795 -3.940 -2.560 1.00 0.00 N ATOM 1163 CA ASN A 78 11.655 -3.567 -3.955 1.00 0.00 C ATOM 1164 C ASN A 78 10.313 -4.058 -4.448 1.00 0.00 C ATOM 1165 O ASN A 78 10.212 -4.911 -5.330 1.00 0.00 O ATOM 1166 CB ASN A 78 12.789 -4.148 -4.776 1.00 0.00 C ATOM 1167 CG ASN A 78 12.944 -3.459 -6.106 1.00 0.00 C ATOM 1168 OD1 ASN A 78 13.684 -2.489 -6.244 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.239 -3.958 -7.098 1.00 0.00 N ATOM 0 H ASN A 78 12.634 -3.563 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 78 11.703 -2.483 -4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.720 -4.064 -4.215 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.609 -5.211 -4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.295 -3.537 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.636 -4.765 -6.940 1.00 0.00 H new ATOM 1176 N HIS A 79 9.290 -3.546 -3.791 1.00 0.00 N ATOM 1177 CA HIS A 79 7.920 -3.942 -4.046 1.00 0.00 C ATOM 1178 C HIS A 79 7.617 -4.177 -5.502 1.00 0.00 C ATOM 1179 O HIS A 79 7.594 -3.266 -6.327 1.00 0.00 O ATOM 1180 CB HIS A 79 6.943 -2.940 -3.446 1.00 0.00 C ATOM 1181 CG HIS A 79 7.101 -2.864 -1.982 1.00 0.00 C ATOM 1182 ND1 HIS A 79 6.309 -2.127 -1.143 1.00 0.00 N ATOM 1183 CD2 HIS A 79 8.027 -3.459 -1.218 1.00 0.00 C ATOM 1184 CE1 HIS A 79 6.782 -2.286 0.101 1.00 0.00 C ATOM 1185 NE2 HIS A 79 7.829 -3.093 0.111 1.00 0.00 N ATOM 0 H HIS A 79 9.387 -2.840 -3.061 1.00 0.00 H new ATOM 0 HA HIS A 79 7.792 -4.906 -3.553 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.109 -1.956 -3.885 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.921 -3.230 -3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.804 -4.118 -1.576 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.363 -1.817 0.979 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.376 -3.386 0.921 1.00 0.00 H new ATOM 1193 N THR A 80 7.342 -5.428 -5.775 1.00 0.00 N ATOM 1194 CA THR A 80 6.978 -5.866 -7.108 1.00 0.00 C ATOM 1195 C THR A 80 5.461 -5.947 -7.198 1.00 0.00 C ATOM 1196 O THR A 80 4.882 -5.921 -8.284 1.00 0.00 O ATOM 1197 CB THR A 80 7.606 -7.224 -7.414 1.00 0.00 C ATOM 1198 OG1 THR A 80 6.693 -8.272 -7.144 1.00 0.00 O ATOM 1199 CG2 THR A 80 8.863 -7.488 -6.614 1.00 0.00 C ATOM 0 H THR A 80 7.363 -6.176 -5.081 1.00 0.00 H new ATOM 0 HA THR A 80 7.351 -5.153 -7.843 1.00 0.00 H new ATOM 0 HB THR A 80 7.865 -7.195 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.872 -9.025 -7.746 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.262 -8.468 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.605 -6.722 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.629 -7.464 -5.550 1.00 0.00 H new ATOM 1207 N ALA A 81 4.828 -6.032 -6.029 1.00 0.00 N ATOM 1208 CA ALA A 81 3.376 -6.104 -5.937 1.00 0.00 C ATOM 1209 C ALA A 81 2.915 -5.757 -4.524 1.00 0.00 C ATOM 1210 O ALA A 81 3.676 -5.899 -3.570 1.00 0.00 O ATOM 1211 CB ALA A 81 2.889 -7.488 -6.336 1.00 0.00 C ATOM 0 H ALA A 81 5.305 -6.053 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 81 2.946 -5.377 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.802 -7.527 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.191 -7.698 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.324 -8.233 -5.670 1.00 0.00 H new ATOM 1217 N CYS A 82 1.671 -5.300 -4.394 1.00 0.00 N ATOM 1218 CA CYS A 82 1.122 -4.934 -3.088 1.00 0.00 C ATOM 1219 C CYS A 82 -0.350 -5.328 -2.987 1.00 0.00 C ATOM 1220 O CYS A 82 -1.145 -5.019 -3.874 1.00 0.00 O ATOM 1221 CB CYS A 82 1.275 -3.430 -2.848 1.00 0.00 C ATOM 1222 SG CYS A 82 2.706 -2.988 -1.809 1.00 0.00 S ATOM 0 H CYS A 82 1.025 -5.174 -5.174 1.00 0.00 H new ATOM 0 HA CYS A 82 1.680 -5.475 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.368 -2.926 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.367 -3.053 -2.377 1.00 0.00 H new ATOM 1227 N HIS A 83 -0.707 -6.013 -1.902 1.00 0.00 N ATOM 1228 CA HIS A 83 -2.084 -6.448 -1.690 1.00 0.00 C ATOM 1229 C HIS A 83 -2.532 -6.183 -0.252 1.00 0.00 C ATOM 1230 O HIS A 83 -1.812 -6.494 0.696 1.00 0.00 O ATOM 1231 CB HIS A 83 -2.226 -7.937 -2.008 1.00 0.00 C ATOM 1232 CG HIS A 83 -1.653 -8.830 -0.953 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -2.393 -9.787 -0.291 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -0.401 -8.906 -0.446 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -1.619 -10.414 0.578 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -0.406 -9.898 0.503 1.00 0.00 N ATOM 0 H HIS A 83 -0.062 -6.278 -1.158 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.722 -5.873 -2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.282 -8.173 -2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.733 -8.146 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.445 -8.299 -0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.926 -11.212 1.237 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.397 -10.189 1.060 1.00 0.00 H new ATOM 1245 N CYS A 84 -3.726 -5.613 -0.096 1.00 0.00 N ATOM 1246 CA CYS A 84 -4.265 -5.318 1.231 1.00 0.00 C ATOM 1247 C CYS A 84 -4.284 -6.581 2.092 1.00 0.00 C ATOM 1248 O CYS A 84 -4.447 -7.688 1.579 1.00 0.00 O ATOM 1249 CB CYS A 84 -5.679 -4.738 1.114 1.00 0.00 C ATOM 1250 SG CYS A 84 -5.746 -3.083 0.352 1.00 0.00 S ATOM 0 H CYS A 84 -4.337 -5.347 -0.869 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.621 -4.580 1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.293 -5.421 0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.122 -4.686 2.109 1.00 0.00 H new ATOM 1255 N SER A 85 -4.114 -6.409 3.400 1.00 0.00 N ATOM 1256 CA SER A 85 -4.108 -7.537 4.326 1.00 0.00 C ATOM 1257 C SER A 85 -3.914 -7.062 5.765 1.00 0.00 C ATOM 1258 O SER A 85 -4.248 -5.926 6.103 1.00 0.00 O ATOM 1259 CB SER A 85 -3.006 -8.531 3.947 1.00 0.00 C ATOM 1260 OG SER A 85 -1.720 -7.971 4.146 1.00 0.00 O ATOM 0 H SER A 85 -3.979 -5.500 3.842 1.00 0.00 H new ATOM 0 HA SER A 85 -5.075 -8.036 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.108 -9.436 4.545 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.120 -8.824 2.903 1.00 0.00 H new ATOM 0 HG SER A 85 -1.036 -8.627 3.898 1.00 0.00 H new ATOM 1266 N THR A 86 -3.379 -7.939 6.609 1.00 0.00 N ATOM 1267 CA THR A 86 -3.150 -7.608 8.012 1.00 0.00 C ATOM 1268 C THR A 86 -1.859 -6.817 8.189 1.00 0.00 C ATOM 1269 O THR A 86 -0.951 -6.898 7.362 1.00 0.00 O ATOM 1270 CB THR A 86 -3.096 -8.884 8.853 1.00 0.00 C ATOM 1271 OG1 THR A 86 -3.197 -8.577 10.233 1.00 0.00 O ATOM 1272 CG2 THR A 86 -1.825 -9.680 8.650 1.00 0.00 C ATOM 0 H THR A 86 -3.096 -8.883 6.347 1.00 0.00 H new ATOM 0 HA THR A 86 -3.980 -6.987 8.350 1.00 0.00 H new ATOM 0 HB THR A 86 -3.940 -9.488 8.520 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.162 -9.405 10.756 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.851 -10.572 9.275 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.742 -9.973 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.965 -9.069 8.925 1.00 0.00 H new ATOM 1280 N CYS A 87 -1.787 -6.055 9.275 1.00 0.00 N ATOM 1281 CA CYS A 87 -0.610 -5.246 9.572 1.00 0.00 C ATOM 1282 C CYS A 87 -0.740 -4.596 10.947 1.00 0.00 C ATOM 1283 O CYS A 87 -0.776 -3.371 11.063 1.00 0.00 O ATOM 1284 CB CYS A 87 -0.420 -4.168 8.501 1.00 0.00 C ATOM 1285 SG CYS A 87 0.614 -4.689 7.093 1.00 0.00 S ATOM 0 H CYS A 87 -2.533 -5.981 9.967 1.00 0.00 H new ATOM 0 HA CYS A 87 0.262 -5.899 9.574 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.398 -3.867 8.127 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.030 -3.289 8.962 1.00 0.00 H new ATOM 1290 N TYR A 88 -0.817 -5.426 11.985 1.00 0.00 N ATOM 1291 CA TYR A 88 -0.951 -4.933 13.352 1.00 0.00 C ATOM 1292 C TYR A 88 -0.240 -3.597 13.525 1.00 0.00 C ATOM 1293 O TYR A 88 0.910 -3.434 13.116 1.00 0.00 O ATOM 1294 CB TYR A 88 -0.398 -5.954 14.349 1.00 0.00 C ATOM 1295 CG TYR A 88 -1.456 -6.878 14.910 1.00 0.00 C ATOM 1296 CD1 TYR A 88 -2.456 -6.395 15.746 1.00 0.00 C ATOM 1297 CD2 TYR A 88 -1.458 -8.232 14.600 1.00 0.00 C ATOM 1298 CE1 TYR A 88 -3.426 -7.236 16.257 1.00 0.00 C ATOM 1299 CE2 TYR A 88 -2.426 -9.079 15.106 1.00 0.00 C ATOM 1300 CZ TYR A 88 -3.407 -8.576 15.934 1.00 0.00 C ATOM 1301 OH TYR A 88 -4.372 -9.416 16.440 1.00 0.00 O ATOM 0 H TYR A 88 -0.789 -6.442 11.905 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.013 -4.785 13.550 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.372 -6.550 13.858 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.084 -5.424 15.171 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.475 -5.346 16.000 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.690 -8.630 13.953 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.195 -6.845 16.906 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.414 -10.129 14.854 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.216 -10.327 16.115 1.00 0.00 H new ATOM 1311 N TYR A 89 -0.936 -2.643 14.131 1.00 0.00 N ATOM 1312 CA TYR A 89 -0.379 -1.316 14.358 1.00 0.00 C ATOM 1313 C TYR A 89 1.065 -1.405 14.838 1.00 0.00 C ATOM 1314 O TYR A 89 1.384 -2.173 15.745 1.00 0.00 O ATOM 1315 CB TYR A 89 -1.222 -0.550 15.379 1.00 0.00 C ATOM 1316 CG TYR A 89 -1.962 -1.442 16.351 1.00 0.00 C ATOM 1317 CD1 TYR A 89 -1.300 -2.040 17.416 1.00 0.00 C ATOM 1318 CD2 TYR A 89 -3.323 -1.682 16.205 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -1.973 -2.852 18.308 1.00 0.00 C ATOM 1320 CE2 TYR A 89 -4.002 -2.493 17.095 1.00 0.00 C ATOM 1321 CZ TYR A 89 -3.323 -3.075 18.143 1.00 0.00 C ATOM 1322 OH TYR A 89 -3.995 -3.884 19.029 1.00 0.00 O ATOM 0 H TYR A 89 -1.889 -2.764 14.474 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.395 -0.779 13.410 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.574 0.124 15.940 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.944 0.071 14.848 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -0.242 -1.867 17.549 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.858 -1.228 15.384 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.444 -3.310 19.131 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.060 -2.670 16.969 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.939 -3.937 18.772 1.00 0.00 H new ATOM 1332 N HIS A 90 1.934 -0.612 14.220 1.00 0.00 N ATOM 1333 CA HIS A 90 3.348 -0.594 14.578 1.00 0.00 C ATOM 1334 C HIS A 90 3.966 0.766 14.271 1.00 0.00 C ATOM 1335 O HIS A 90 4.195 1.105 13.111 1.00 0.00 O ATOM 1336 CB HIS A 90 4.101 -1.689 13.821 1.00 0.00 C ATOM 1337 CG HIS A 90 5.296 -2.212 14.555 1.00 0.00 C ATOM 1338 ND1 HIS A 90 6.093 -1.423 15.358 1.00 0.00 N ATOM 1339 CD2 HIS A 90 5.830 -3.455 14.606 1.00 0.00 C ATOM 1340 CE1 HIS A 90 7.064 -2.157 15.870 1.00 0.00 C ATOM 1341 NE2 HIS A 90 6.926 -3.394 15.429 1.00 0.00 N ATOM 0 H HIS A 90 1.683 0.028 13.467 1.00 0.00 H new ATOM 0 HA HIS A 90 3.430 -0.780 15.649 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.419 -2.515 13.620 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.421 -1.297 12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.462 -4.332 14.094 1.00 0.00 H new ATOM 0 HE1 HIS A 90 7.839 -1.806 16.536 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.536 -4.178 15.663 1.00 0.00 H new ATOM 1350 N LYS A 91 4.231 1.542 15.317 1.00 0.00 N ATOM 1351 CA LYS A 91 4.820 2.866 15.152 1.00 0.00 C ATOM 1352 C LYS A 91 6.283 2.873 15.585 1.00 0.00 C ATOM 1353 O LYS A 91 7.182 2.669 14.769 1.00 0.00 O ATOM 1354 CB LYS A 91 4.034 3.904 15.957 1.00 0.00 C ATOM 1355 CG LYS A 91 3.332 4.939 15.094 1.00 0.00 C ATOM 1356 CD LYS A 91 4.296 5.603 14.123 1.00 0.00 C ATOM 1357 CE LYS A 91 4.966 6.816 14.745 1.00 0.00 C ATOM 1358 NZ LYS A 91 6.395 6.928 14.342 1.00 0.00 N ATOM 0 H LYS A 91 4.048 1.278 16.285 1.00 0.00 H new ATOM 0 HA LYS A 91 4.772 3.124 14.094 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.293 3.391 16.570 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.714 4.413 16.640 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.524 4.463 14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.877 5.697 15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.056 4.885 13.815 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.758 5.904 13.224 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.433 7.718 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.899 6.751 15.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.816 7.768 14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.910 6.078 14.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.458 7.016 13.308 1.00 0.00 H new ATOM 1372 N SER A 92 6.516 3.114 16.871 1.00 0.00 N ATOM 1373 CA SER A 92 7.872 3.152 17.408 1.00 0.00 C ATOM 1374 C SER A 92 8.428 1.743 17.589 1.00 0.00 C ATOM 1375 O SER A 92 8.930 1.443 18.692 1.00 0.00 O ATOM 1376 CB SER A 92 7.891 3.898 18.743 1.00 0.00 C ATOM 1377 OG SER A 92 7.008 3.299 19.674 1.00 0.00 O ATOM 1378 OXT SER A 92 8.357 0.952 16.625 1.00 0.00 O ATOM 0 H SER A 92 5.784 3.286 17.560 1.00 0.00 H new ATOM 0 HA SER A 92 8.504 3.681 16.695 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.903 3.901 19.147 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.607 4.939 18.586 1.00 0.00 H new ATOM 0 HG SER A 92 7.337 2.406 19.909 1.00 0.00 H new TER 1384 SER A 92