USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 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 Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -158:sc= -2.79 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -109:sc= -2.41! USER MOD Single : A 15 HIS : no HD1:sc= -4.35! K(o=-4.3!,f=-0.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.0042) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -56:sc= 0.0374 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= -1.78 (180deg=-1.94) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.0958 USER MOD Single : A 39 CYS SG : rot 157:sc= -0.203 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 51:sc= -4.41! USER MOD Single : A 55 THR OG1 : rot 65:sc= 1.24 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -2.31 (180deg=-2.87!) USER MOD Single : A 70 GLN : amide:sc= 1.08 K(o=1.1,f=-0.46) USER MOD Single : A 75 SER OG : rot -93:sc= 0.992 USER MOD Single : A 76 HIS : no HD1:sc= -6.94! K(o=-6.9!,f=-2.6) USER MOD Single : A 79 GLN : amide:sc= -2.92 K(o=-2.9,f=-4.4!) USER MOD Single : A 80 GLN : amide:sc= -4.5! C(o=-4.5!,f=-5.9!) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.752 USER MOD Single : A 84 THR OG1 : rot 90:sc= 1.12 USER MOD Single : A 87 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.2!) USER MOD Single : A 91 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.23) USER MOD Single : A 93 SER OG : rot -5:sc= 1.09 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 55:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -2.736 -11.907 -8.471 1.00 0.00 N ATOM 2 CA GLY A 0 -2.569 -10.639 -7.782 1.00 0.00 C ATOM 3 C GLY A 0 -1.233 -9.989 -8.145 1.00 0.00 C ATOM 4 O GLY A 0 -0.223 -10.226 -7.485 1.00 0.00 O ATOM 0 H1 GLY A 0 -3.650 -12.327 -8.208 1.00 0.00 H new ATOM 0 H2 GLY A 0 -2.711 -11.750 -9.499 1.00 0.00 H new ATOM 0 H3 GLY A 0 -1.967 -12.553 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -3.387 -9.968 -8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -2.620 -10.797 -6.705 1.00 0.00 H new ATOM 8 N SER A 1 -1.270 -9.181 -9.195 1.00 0.00 N ATOM 9 CA SER A 1 -0.075 -8.494 -9.654 1.00 0.00 C ATOM 10 C SER A 1 -0.461 -7.249 -10.454 1.00 0.00 C ATOM 11 O SER A 1 -0.262 -6.125 -9.995 1.00 0.00 O ATOM 12 CB SER A 1 0.800 -9.420 -10.502 1.00 0.00 C ATOM 13 OG SER A 1 2.184 -9.275 -10.196 1.00 0.00 O ATOM 0 H SER A 1 -2.109 -8.987 -9.741 1.00 0.00 H new ATOM 0 HA SER A 1 0.502 -8.191 -8.780 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.499 -10.455 -10.337 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.638 -9.205 -11.558 1.00 0.00 H new ATOM 0 HG SER A 1 2.709 -9.884 -10.757 1.00 0.00 H new ATOM 19 N SER A 2 -1.006 -7.490 -11.637 1.00 0.00 N ATOM 20 CA SER A 2 -1.422 -6.402 -12.506 1.00 0.00 C ATOM 21 C SER A 2 -2.289 -6.944 -13.644 1.00 0.00 C ATOM 22 O SER A 2 -2.286 -8.143 -13.915 1.00 0.00 O ATOM 23 CB SER A 2 -0.212 -5.655 -13.070 1.00 0.00 C ATOM 24 OG SER A 2 -0.582 -4.419 -13.675 1.00 0.00 O ATOM 0 H SER A 2 -1.169 -8.423 -12.015 1.00 0.00 H new ATOM 0 HA SER A 2 -2.008 -5.697 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.503 -5.467 -12.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.291 -6.283 -13.806 1.00 0.00 H new ATOM 0 HG SER A 2 0.218 -3.972 -14.021 1.00 0.00 H new ATOM 30 N GLY A 3 -3.012 -6.032 -14.279 1.00 0.00 N ATOM 31 CA GLY A 3 -3.882 -6.403 -15.382 1.00 0.00 C ATOM 32 C GLY A 3 -5.350 -6.160 -15.027 1.00 0.00 C ATOM 33 O GLY A 3 -5.688 -5.977 -13.858 1.00 0.00 O ATOM 0 H GLY A 3 -3.013 -5.038 -14.051 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.618 -5.826 -16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.733 -7.454 -15.630 1.00 0.00 H new ATOM 37 N SER A 4 -6.184 -6.167 -16.057 1.00 0.00 N ATOM 38 CA SER A 4 -7.608 -5.950 -15.868 1.00 0.00 C ATOM 39 C SER A 4 -7.853 -4.552 -15.295 1.00 0.00 C ATOM 40 O SER A 4 -6.989 -3.994 -14.621 1.00 0.00 O ATOM 41 CB SER A 4 -8.211 -7.013 -14.948 1.00 0.00 C ATOM 42 OG SER A 4 -8.316 -8.279 -15.593 1.00 0.00 O ATOM 0 H SER A 4 -5.901 -6.320 -17.025 1.00 0.00 H new ATOM 0 HA SER A 4 -8.097 -6.029 -16.839 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.594 -7.111 -14.055 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.199 -6.690 -14.620 1.00 0.00 H new ATOM 0 HG SER A 4 -8.704 -8.931 -14.973 1.00 0.00 H new ATOM 48 N SER A 5 -9.035 -4.027 -15.585 1.00 0.00 N ATOM 49 CA SER A 5 -9.404 -2.705 -15.108 1.00 0.00 C ATOM 50 C SER A 5 -9.333 -2.662 -13.580 1.00 0.00 C ATOM 51 O SER A 5 -9.333 -3.704 -12.925 1.00 0.00 O ATOM 52 CB SER A 5 -10.805 -2.319 -15.585 1.00 0.00 C ATOM 53 OG SER A 5 -10.965 -2.517 -16.987 1.00 0.00 O ATOM 0 H SER A 5 -9.749 -4.493 -16.144 1.00 0.00 H new ATOM 0 HA SER A 5 -8.698 -1.983 -15.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.547 -2.911 -15.048 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.995 -1.274 -15.342 1.00 0.00 H new ATOM 0 HG SER A 5 -11.873 -2.261 -17.252 1.00 0.00 H new ATOM 59 N GLY A 6 -9.274 -1.447 -13.056 1.00 0.00 N ATOM 60 CA GLY A 6 -9.203 -1.254 -11.618 1.00 0.00 C ATOM 61 C GLY A 6 -7.755 -1.308 -11.128 1.00 0.00 C ATOM 62 O GLY A 6 -7.036 -2.267 -11.409 1.00 0.00 O ATOM 0 H GLY A 6 -9.274 -0.586 -13.602 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.644 -0.293 -11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.790 -2.023 -11.115 1.00 0.00 H new ATOM 66 N THR A 7 -7.369 -0.267 -10.405 1.00 0.00 N ATOM 67 CA THR A 7 -6.019 -0.184 -9.874 1.00 0.00 C ATOM 68 C THR A 7 -6.032 -0.363 -8.355 1.00 0.00 C ATOM 69 O THR A 7 -7.074 -0.218 -7.717 1.00 0.00 O ATOM 70 CB THR A 7 -5.415 1.148 -10.324 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.459 2.093 -10.105 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.174 1.201 -11.834 1.00 0.00 C ATOM 0 H THR A 7 -7.968 0.526 -10.174 1.00 0.00 H new ATOM 0 HA THR A 7 -5.392 -0.988 -10.259 1.00 0.00 H new ATOM 0 HB THR A 7 -4.474 1.316 -9.801 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.309 2.882 -10.667 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.745 2.167 -12.100 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.485 0.406 -12.121 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.120 1.068 -12.358 1.00 0.00 H new ATOM 80 N PRO A 8 -4.831 -0.684 -7.804 1.00 0.00 N ATOM 81 CA PRO A 8 -4.694 -0.885 -6.371 1.00 0.00 C ATOM 82 C PRO A 8 -4.718 0.451 -5.626 1.00 0.00 C ATOM 83 O PRO A 8 -5.458 0.612 -4.656 1.00 0.00 O ATOM 84 CB PRO A 8 -3.383 -1.636 -6.202 1.00 0.00 C ATOM 85 CG PRO A 8 -2.610 -1.420 -7.493 1.00 0.00 C ATOM 86 CD PRO A 8 -3.575 -0.864 -8.527 1.00 0.00 C ATOM 0 HA PRO A 8 -5.521 -1.454 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.825 -1.259 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.560 -2.697 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.783 -0.728 -7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.177 -2.358 -7.840 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.215 0.080 -8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.696 -1.550 -9.365 1.00 0.00 H new ATOM 94 N LEU A 9 -3.900 1.376 -6.107 1.00 0.00 N ATOM 95 CA LEU A 9 -3.818 2.692 -5.498 1.00 0.00 C ATOM 96 C LEU A 9 -5.201 3.347 -5.520 1.00 0.00 C ATOM 97 O LEU A 9 -5.609 3.976 -4.545 1.00 0.00 O ATOM 98 CB LEU A 9 -2.731 3.529 -6.176 1.00 0.00 C ATOM 99 CG LEU A 9 -2.743 5.027 -5.862 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.357 5.284 -4.404 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.851 5.799 -6.835 1.00 0.00 C ATOM 0 H LEU A 9 -3.288 1.240 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.520 2.610 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.759 3.126 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.824 3.403 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.760 5.396 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.373 6.356 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.067 4.783 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.355 4.896 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.878 6.861 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.827 5.434 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.212 5.653 -7.853 1.00 0.00 H new ATOM 113 N SER A 10 -5.883 3.176 -6.643 1.00 0.00 N ATOM 114 CA SER A 10 -7.212 3.742 -6.804 1.00 0.00 C ATOM 115 C SER A 10 -8.189 3.065 -5.842 1.00 0.00 C ATOM 116 O SER A 10 -8.998 3.734 -5.200 1.00 0.00 O ATOM 117 CB SER A 10 -7.701 3.597 -8.247 1.00 0.00 C ATOM 118 OG SER A 10 -8.870 4.372 -8.494 1.00 0.00 O ATOM 0 H SER A 10 -5.541 2.654 -7.450 1.00 0.00 H new ATOM 0 HA SER A 10 -7.161 4.806 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.910 3.906 -8.931 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.911 2.548 -8.455 1.00 0.00 H new ATOM 0 HG SER A 10 -9.150 4.254 -9.426 1.00 0.00 H new ATOM 124 N LEU A 11 -8.083 1.746 -5.771 1.00 0.00 N ATOM 125 CA LEU A 11 -8.948 0.971 -4.898 1.00 0.00 C ATOM 126 C LEU A 11 -8.719 1.402 -3.448 1.00 0.00 C ATOM 127 O LEU A 11 -9.669 1.532 -2.678 1.00 0.00 O ATOM 128 CB LEU A 11 -8.745 -0.527 -5.134 1.00 0.00 C ATOM 129 CG LEU A 11 -9.339 -1.088 -6.428 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.595 -2.350 -6.870 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.842 -1.332 -6.281 1.00 0.00 C ATOM 0 H LEU A 11 -7.411 1.194 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.995 1.167 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.675 -0.734 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.178 -1.069 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.209 -0.344 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.037 -2.729 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.545 -2.112 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.672 -3.109 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.239 -1.731 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.018 -2.047 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.342 -0.392 -6.046 1.00 0.00 H new ATOM 143 N THR A 12 -7.453 1.610 -3.119 1.00 0.00 N ATOM 144 CA THR A 12 -7.087 2.023 -1.775 1.00 0.00 C ATOM 145 C THR A 12 -7.616 3.430 -1.487 1.00 0.00 C ATOM 146 O THR A 12 -8.261 3.656 -0.464 1.00 0.00 O ATOM 147 CB THR A 12 -5.567 1.907 -1.642 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.075 2.309 -2.918 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.101 0.457 -1.503 1.00 0.00 C ATOM 0 H THR A 12 -6.667 1.500 -3.760 1.00 0.00 H new ATOM 0 HA THR A 12 -7.544 1.378 -1.025 1.00 0.00 H new ATOM 0 HB THR A 12 -5.234 2.480 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.714 1.530 -3.390 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.015 0.431 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.550 0.014 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.405 -0.109 -2.384 1.00 0.00 H new ATOM 157 N LEU A 13 -7.324 4.337 -2.407 1.00 0.00 N ATOM 158 CA LEU A 13 -7.763 5.715 -2.264 1.00 0.00 C ATOM 159 C LEU A 13 -9.290 5.753 -2.169 1.00 0.00 C ATOM 160 O LEU A 13 -9.845 6.436 -1.310 1.00 0.00 O ATOM 161 CB LEU A 13 -7.196 6.578 -3.393 1.00 0.00 C ATOM 162 CG LEU A 13 -5.710 6.928 -3.288 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.255 7.757 -4.491 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.404 7.628 -1.962 1.00 0.00 C ATOM 0 H LEU A 13 -6.789 4.145 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.375 6.144 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.361 6.060 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.766 7.506 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.139 6.000 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.195 7.992 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.416 7.188 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.829 8.682 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.341 7.866 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.985 8.548 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.667 6.970 -1.134 1.00 0.00 H new ATOM 176 N ASP A 14 -9.925 5.010 -3.064 1.00 0.00 N ATOM 177 CA ASP A 14 -11.376 4.950 -3.092 1.00 0.00 C ATOM 178 C ASP A 14 -11.892 4.543 -1.710 1.00 0.00 C ATOM 179 O ASP A 14 -12.979 4.952 -1.305 1.00 0.00 O ATOM 180 CB ASP A 14 -11.865 3.911 -4.103 1.00 0.00 C ATOM 181 CG ASP A 14 -11.986 4.416 -5.542 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.990 5.655 -5.710 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.071 3.553 -6.442 1.00 0.00 O ATOM 0 H ASP A 14 -9.461 4.445 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.749 5.934 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.182 3.062 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.839 3.542 -3.780 1.00 0.00 H new ATOM 188 N HIS A 15 -11.088 3.744 -1.024 1.00 0.00 N ATOM 189 CA HIS A 15 -11.449 3.278 0.304 1.00 0.00 C ATOM 190 C HIS A 15 -10.457 3.830 1.329 1.00 0.00 C ATOM 191 O HIS A 15 -10.084 3.135 2.273 1.00 0.00 O ATOM 192 CB HIS A 15 -11.548 1.752 0.335 1.00 0.00 C ATOM 193 CG HIS A 15 -12.830 1.207 -0.247 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.081 1.615 0.182 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.042 0.284 -1.229 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.997 0.960 -0.517 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.351 0.135 -1.390 1.00 0.00 N ATOM 0 H HIS A 15 -10.187 3.407 -1.363 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.437 3.653 0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.705 1.332 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.457 1.413 1.367 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.275 -0.237 -1.782 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.067 1.062 -0.413 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.800 -0.493 -2.057 1.00 0.00 H new ATOM 205 N TRP A 16 -10.057 5.074 1.109 1.00 0.00 N ATOM 206 CA TRP A 16 -9.115 5.726 2.002 1.00 0.00 C ATOM 207 C TRP A 16 -9.605 5.522 3.437 1.00 0.00 C ATOM 208 O TRP A 16 -8.802 5.321 4.347 1.00 0.00 O ATOM 209 CB TRP A 16 -8.942 7.201 1.633 1.00 0.00 C ATOM 210 CG TRP A 16 -7.930 7.946 2.506 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.118 9.068 3.214 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.554 7.574 2.735 1.00 0.00 C ATOM 213 NE1 TRP A 16 -6.970 9.444 3.880 1.00 0.00 N ATOM 214 CE2 TRP A 16 -5.989 8.507 3.580 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.812 6.485 2.245 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.657 8.446 4.008 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.483 6.438 2.682 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.899 7.370 3.532 1.00 0.00 C ATOM 0 H TRP A 16 -10.368 5.647 0.325 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.123 5.284 1.907 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.628 7.270 0.591 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.908 7.700 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.051 9.610 3.258 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.861 10.260 4.482 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.234 5.743 1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.237 9.189 4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.869 5.621 2.335 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.865 7.264 3.824 1.00 0.00 H new ATOM 229 N SER A 17 -10.919 5.580 3.594 1.00 0.00 N ATOM 230 CA SER A 17 -11.525 5.404 4.902 1.00 0.00 C ATOM 231 C SER A 17 -11.042 4.095 5.531 1.00 0.00 C ATOM 232 O SER A 17 -10.737 4.049 6.721 1.00 0.00 O ATOM 233 CB SER A 17 -13.052 5.416 4.809 1.00 0.00 C ATOM 234 OG SER A 17 -13.602 6.666 5.217 1.00 0.00 O ATOM 0 H SER A 17 -11.581 5.747 2.836 1.00 0.00 H new ATOM 0 HA SER A 17 -11.220 6.238 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.354 5.204 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.459 4.620 5.432 1.00 0.00 H new ATOM 0 HG SER A 17 -14.579 6.634 5.142 1.00 0.00 H new ATOM 240 N GLU A 18 -10.988 3.063 4.702 1.00 0.00 N ATOM 241 CA GLU A 18 -10.548 1.756 5.161 1.00 0.00 C ATOM 242 C GLU A 18 -9.049 1.780 5.471 1.00 0.00 C ATOM 243 O GLU A 18 -8.618 1.274 6.506 1.00 0.00 O ATOM 244 CB GLU A 18 -10.878 0.673 4.132 1.00 0.00 C ATOM 245 CG GLU A 18 -10.128 -0.624 4.442 1.00 0.00 C ATOM 246 CD GLU A 18 -10.844 -1.830 3.831 1.00 0.00 C ATOM 247 OE1 GLU A 18 -12.028 -1.663 3.466 1.00 0.00 O ATOM 248 OE2 GLU A 18 -10.192 -2.893 3.744 1.00 0.00 O ATOM 0 H GLU A 18 -11.242 3.105 3.715 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.086 1.514 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.952 0.485 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.612 1.021 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.112 -0.563 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.047 -0.753 5.521 1.00 0.00 H new ATOM 255 N ILE A 19 -8.298 2.373 4.555 1.00 0.00 N ATOM 256 CA ILE A 19 -6.857 2.469 4.718 1.00 0.00 C ATOM 257 C ILE A 19 -6.543 3.285 5.973 1.00 0.00 C ATOM 258 O ILE A 19 -5.587 2.987 6.688 1.00 0.00 O ATOM 259 CB ILE A 19 -6.210 3.024 3.447 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.872 2.441 2.196 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.698 2.793 3.455 1.00 0.00 C ATOM 262 CD1 ILE A 19 -7.034 0.925 2.317 1.00 0.00 C ATOM 0 H ILE A 19 -8.660 2.792 3.698 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.424 1.479 4.864 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.371 4.102 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.848 2.904 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.270 2.677 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.263 3.197 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.258 3.293 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.494 1.724 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.507 0.536 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.054 0.463 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.656 0.693 3.181 1.00 0.00 H new ATOM 274 N ARG A 20 -7.365 4.298 6.204 1.00 0.00 N ATOM 275 CA ARG A 20 -7.188 5.158 7.361 1.00 0.00 C ATOM 276 C ARG A 20 -7.558 4.408 8.642 1.00 0.00 C ATOM 277 O ARG A 20 -7.025 4.700 9.712 1.00 0.00 O ATOM 278 CB ARG A 20 -8.049 6.418 7.248 1.00 0.00 C ATOM 279 CG ARG A 20 -7.492 7.370 6.189 1.00 0.00 C ATOM 280 CD ARG A 20 -7.787 8.827 6.552 1.00 0.00 C ATOM 281 NE ARG A 20 -9.010 9.285 5.856 1.00 0.00 N ATOM 282 CZ ARG A 20 -9.594 10.472 6.066 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.070 11.329 6.952 1.00 0.00 N ATOM 284 NH2 ARG A 20 -10.702 10.803 5.388 1.00 0.00 N ATOM 0 H ARG A 20 -8.156 4.542 5.609 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.139 5.451 7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.072 6.142 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.088 6.924 8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.416 7.226 6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.931 7.137 5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.915 8.923 7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.943 9.458 6.274 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.435 8.657 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.226 11.078 7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.515 12.233 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.100 10.151 4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.147 11.707 5.548 1.00 0.00 H new ATOM 298 N SER A 21 -8.467 3.457 8.491 1.00 0.00 N ATOM 299 CA SER A 21 -8.914 2.663 9.623 1.00 0.00 C ATOM 300 C SER A 21 -7.790 1.737 10.090 1.00 0.00 C ATOM 301 O SER A 21 -7.480 1.681 11.279 1.00 0.00 O ATOM 302 CB SER A 21 -10.159 1.848 9.266 1.00 0.00 C ATOM 303 OG SER A 21 -11.215 2.049 10.201 1.00 0.00 O ATOM 0 H SER A 21 -8.906 3.218 7.602 1.00 0.00 H new ATOM 0 HA SER A 21 -9.177 3.342 10.434 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.500 2.126 8.269 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.902 0.789 9.232 1.00 0.00 H new ATOM 0 HG SER A 21 -11.992 1.513 9.937 1.00 0.00 H new ATOM 309 N ARG A 22 -7.208 1.033 9.129 1.00 0.00 N ATOM 310 CA ARG A 22 -6.125 0.112 9.427 1.00 0.00 C ATOM 311 C ARG A 22 -5.012 0.832 10.191 1.00 0.00 C ATOM 312 O ARG A 22 -4.425 0.271 11.116 1.00 0.00 O ATOM 313 CB ARG A 22 -5.546 -0.490 8.145 1.00 0.00 C ATOM 314 CG ARG A 22 -6.576 -1.377 7.443 1.00 0.00 C ATOM 315 CD ARG A 22 -5.927 -2.658 6.914 1.00 0.00 C ATOM 316 NE ARG A 22 -6.690 -3.170 5.754 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.727 -4.013 5.850 1.00 0.00 C ATOM 318 NH1 ARG A 22 -8.131 -4.445 7.052 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.360 -4.426 4.743 1.00 0.00 N ATOM 0 H ARG A 22 -7.467 1.082 8.144 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.532 -0.691 10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.231 0.309 7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.658 -1.076 8.383 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.376 -1.631 8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.032 -0.829 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.896 -2.459 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.896 -3.412 7.701 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.409 -2.862 4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.649 -4.132 7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.921 -5.087 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.052 -4.099 3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.149 -5.068 4.816 1.00 0.00 H new ATOM 333 N ALA A 23 -4.754 2.064 9.777 1.00 0.00 N ATOM 334 CA ALA A 23 -3.722 2.867 10.412 1.00 0.00 C ATOM 335 C ALA A 23 -4.047 3.025 11.898 1.00 0.00 C ATOM 336 O ALA A 23 -3.160 2.924 12.745 1.00 0.00 O ATOM 337 CB ALA A 23 -3.608 4.213 9.693 1.00 0.00 C ATOM 0 H ALA A 23 -5.242 2.526 9.010 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.752 2.375 10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.834 4.815 10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.347 4.046 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.562 4.737 9.749 1.00 0.00 H new ATOM 343 N HIS A 24 -5.320 3.270 12.170 1.00 0.00 N ATOM 344 CA HIS A 24 -5.773 3.443 13.540 1.00 0.00 C ATOM 345 C HIS A 24 -5.553 2.146 14.321 1.00 0.00 C ATOM 346 O HIS A 24 -5.052 2.171 15.444 1.00 0.00 O ATOM 347 CB HIS A 24 -7.227 3.917 13.576 1.00 0.00 C ATOM 348 CG HIS A 24 -7.512 4.942 14.648 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.594 4.848 15.506 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.846 6.082 14.992 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.571 5.889 16.324 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.487 6.653 16.004 1.00 0.00 N ATOM 0 H HIS A 24 -6.052 3.353 11.465 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.186 4.223 14.025 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.485 4.340 12.605 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.876 3.055 13.730 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.949 6.456 14.521 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.285 6.097 17.107 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.214 7.520 16.466 1.00 0.00 H new ATOM 360 N ASN A 25 -5.939 1.044 13.696 1.00 0.00 N ATOM 361 CA ASN A 25 -5.790 -0.261 14.318 1.00 0.00 C ATOM 362 C ASN A 25 -4.302 -0.583 14.468 1.00 0.00 C ATOM 363 O ASN A 25 -3.896 -1.218 15.440 1.00 0.00 O ATOM 364 CB ASN A 25 -6.427 -1.356 13.460 1.00 0.00 C ATOM 365 CG ASN A 25 -7.191 -2.358 14.328 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.619 -3.214 14.983 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.512 -2.204 14.297 1.00 0.00 N ATOM 0 H ASN A 25 -6.355 1.028 12.765 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.285 -0.230 15.289 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.105 -0.906 12.735 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.654 -1.875 12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.111 -2.823 14.843 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.926 -1.466 13.727 1.00 0.00 H new ATOM 374 N LEU A 26 -3.530 -0.132 13.490 1.00 0.00 N ATOM 375 CA LEU A 26 -2.096 -0.364 13.501 1.00 0.00 C ATOM 376 C LEU A 26 -1.425 0.658 14.421 1.00 0.00 C ATOM 377 O LEU A 26 -0.271 0.484 14.810 1.00 0.00 O ATOM 378 CB LEU A 26 -1.543 -0.364 12.074 1.00 0.00 C ATOM 379 CG LEU A 26 -2.035 -1.491 11.164 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.603 -1.254 9.716 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.578 -2.855 11.683 1.00 0.00 C ATOM 0 H LEU A 26 -3.871 0.393 12.685 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.873 -1.351 13.905 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.795 0.589 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.455 -0.415 12.127 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.125 -1.491 11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.965 -2.069 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.020 -0.311 9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.515 -1.212 9.663 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.941 -3.638 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.489 -2.885 11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.977 -3.016 12.684 1.00 0.00 H new ATOM 393 N SER A 27 -2.177 1.701 14.742 1.00 0.00 N ATOM 394 CA SER A 27 -1.669 2.750 15.608 1.00 0.00 C ATOM 395 C SER A 27 -0.679 3.629 14.842 1.00 0.00 C ATOM 396 O SER A 27 0.381 3.976 15.362 1.00 0.00 O ATOM 397 CB SER A 27 -1.003 2.162 16.854 1.00 0.00 C ATOM 398 OG SER A 27 -0.848 3.133 17.886 1.00 0.00 O ATOM 0 H SER A 27 -3.134 1.841 14.418 1.00 0.00 H new ATOM 0 HA SER A 27 -2.511 3.361 15.933 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.601 1.330 17.226 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.026 1.758 16.587 1.00 0.00 H new ATOM 0 HG SER A 27 -0.337 3.896 17.543 1.00 0.00 H new ATOM 404 N VAL A 28 -1.058 3.964 13.617 1.00 0.00 N ATOM 405 CA VAL A 28 -0.217 4.795 12.773 1.00 0.00 C ATOM 406 C VAL A 28 -1.085 5.834 12.061 1.00 0.00 C ATOM 407 O VAL A 28 -2.291 5.645 11.914 1.00 0.00 O ATOM 408 CB VAL A 28 0.582 3.919 11.806 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.567 3.025 12.562 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.350 3.086 10.924 1.00 0.00 C ATOM 0 H VAL A 28 -1.937 3.674 13.189 1.00 0.00 H new ATOM 0 HA VAL A 28 0.511 5.338 13.376 1.00 0.00 H new ATOM 0 HB VAL A 28 1.159 4.577 11.156 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.122 2.413 11.851 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.262 3.646 13.127 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.019 2.378 13.248 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.243 2.472 10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.966 2.442 11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.992 3.750 10.345 1.00 0.00 H new ATOM 420 N GLU A 29 -0.436 6.910 11.638 1.00 0.00 N ATOM 421 CA GLU A 29 -1.134 7.980 10.945 1.00 0.00 C ATOM 422 C GLU A 29 -0.552 8.171 9.543 1.00 0.00 C ATOM 423 O GLU A 29 0.666 8.168 9.367 1.00 0.00 O ATOM 424 CB GLU A 29 -1.075 9.282 11.746 1.00 0.00 C ATOM 425 CG GLU A 29 -2.464 9.912 11.871 1.00 0.00 C ATOM 426 CD GLU A 29 -2.773 10.273 13.326 1.00 0.00 C ATOM 427 OE1 GLU A 29 -3.162 9.347 14.070 1.00 0.00 O ATOM 428 OE2 GLU A 29 -2.612 11.467 13.660 1.00 0.00 O ATOM 0 H GLU A 29 0.565 7.063 11.762 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.183 7.700 10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.671 9.084 12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.396 9.982 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.519 10.807 11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.217 9.218 11.497 1.00 0.00 H new ATOM 435 N ILE A 30 -1.449 8.334 8.582 1.00 0.00 N ATOM 436 CA ILE A 30 -1.040 8.527 7.201 1.00 0.00 C ATOM 437 C ILE A 30 -1.951 9.566 6.544 1.00 0.00 C ATOM 438 O ILE A 30 -2.980 9.937 7.105 1.00 0.00 O ATOM 439 CB ILE A 30 -1.000 7.188 6.462 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.390 6.549 6.410 1.00 0.00 C ATOM 441 CG2 ILE A 30 0.039 6.251 7.080 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.323 5.137 5.825 1.00 0.00 C ATOM 0 H ILE A 30 -2.458 8.336 8.732 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.024 8.920 7.156 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.693 7.375 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.814 6.511 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.055 7.166 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.047 5.307 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.025 6.712 7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.213 6.066 8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.324 4.706 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.921 5.181 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.676 4.516 6.445 1.00 0.00 H new ATOM 454 N LYS A 31 -1.539 10.005 5.364 1.00 0.00 N ATOM 455 CA LYS A 31 -2.305 10.994 4.624 1.00 0.00 C ATOM 456 C LYS A 31 -2.698 10.415 3.263 1.00 0.00 C ATOM 457 O LYS A 31 -2.168 9.386 2.846 1.00 0.00 O ATOM 458 CB LYS A 31 -1.533 12.311 4.532 1.00 0.00 C ATOM 459 CG LYS A 31 -1.897 13.243 5.690 1.00 0.00 C ATOM 460 CD LYS A 31 -2.244 14.642 5.180 1.00 0.00 C ATOM 461 CE LYS A 31 -1.018 15.557 5.213 1.00 0.00 C ATOM 462 NZ LYS A 31 -1.368 16.872 5.794 1.00 0.00 N ATOM 0 H LYS A 31 -0.685 9.694 4.902 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.230 11.230 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.462 12.110 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.754 12.800 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.744 12.832 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.063 13.303 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.627 14.577 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.038 15.070 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.226 15.093 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.629 15.691 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.525 17.480 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.108 17.320 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.717 16.741 6.765 1.00 0.00 H new ATOM 476 N LYS A 32 -3.624 11.101 2.609 1.00 0.00 N ATOM 477 CA LYS A 32 -4.093 10.668 1.304 1.00 0.00 C ATOM 478 C LYS A 32 -3.257 11.344 0.216 1.00 0.00 C ATOM 479 O LYS A 32 -3.189 10.857 -0.912 1.00 0.00 O ATOM 480 CB LYS A 32 -5.597 10.914 1.167 1.00 0.00 C ATOM 481 CG LYS A 32 -6.120 10.386 -0.171 1.00 0.00 C ATOM 482 CD LYS A 32 -7.587 9.968 -0.059 1.00 0.00 C ATOM 483 CE LYS A 32 -8.408 10.535 -1.219 1.00 0.00 C ATOM 484 NZ LYS A 32 -7.788 10.181 -2.515 1.00 0.00 N ATOM 0 H LYS A 32 -4.062 11.953 2.959 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.957 9.593 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.125 10.426 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.803 11.981 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.015 11.155 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.519 9.535 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.660 8.880 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.998 10.319 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.425 10.145 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.478 11.619 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.393 10.515 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.853 10.630 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.682 9.148 -2.578 1.00 0.00 H new ATOM 498 N GLY A 33 -2.643 12.456 0.592 1.00 0.00 N ATOM 499 CA GLY A 33 -1.814 13.204 -0.339 1.00 0.00 C ATOM 500 C GLY A 33 -0.512 12.458 -0.635 1.00 0.00 C ATOM 501 O GLY A 33 -0.145 12.277 -1.795 1.00 0.00 O ATOM 0 H GLY A 33 -2.703 12.857 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.361 13.370 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.588 14.186 0.077 1.00 0.00 H new ATOM 505 N PRO A 34 0.170 12.033 0.463 1.00 0.00 N ATOM 506 CA PRO A 34 1.424 11.311 0.333 1.00 0.00 C ATOM 507 C PRO A 34 1.181 9.868 -0.117 1.00 0.00 C ATOM 508 O PRO A 34 1.940 9.330 -0.922 1.00 0.00 O ATOM 509 CB PRO A 34 2.076 11.404 1.702 1.00 0.00 C ATOM 510 CG PRO A 34 0.962 11.769 2.670 1.00 0.00 C ATOM 511 CD PRO A 34 -0.234 12.229 1.852 1.00 0.00 C ATOM 0 HA PRO A 34 2.075 11.733 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.540 10.457 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.863 12.158 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.695 10.911 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.288 12.559 3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.125 11.648 2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.472 13.274 2.052 1.00 0.00 H new ATOM 519 N TRP A 35 0.121 9.284 0.422 1.00 0.00 N ATOM 520 CA TRP A 35 -0.231 7.915 0.086 1.00 0.00 C ATOM 521 C TRP A 35 -0.223 7.785 -1.439 1.00 0.00 C ATOM 522 O TRP A 35 0.220 6.772 -1.977 1.00 0.00 O ATOM 523 CB TRP A 35 -1.571 7.524 0.712 1.00 0.00 C ATOM 524 CG TRP A 35 -2.083 6.149 0.277 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.728 5.828 -0.852 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.965 4.915 1.016 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.034 4.483 -0.895 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.555 3.910 0.277 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.380 4.656 2.268 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.617 2.579 0.705 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.450 3.321 2.682 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.040 2.298 1.949 1.00 0.00 C ATOM 0 H TRP A 35 -0.506 9.734 1.089 1.00 0.00 H new ATOM 0 HA TRP A 35 0.498 7.217 0.499 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.471 7.536 1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.315 8.277 0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.977 6.533 -1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.522 3.999 -1.648 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.913 5.427 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.085 1.810 0.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.015 3.068 3.638 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.053 1.290 2.338 1.00 0.00 H new ATOM 543 N ARG A 36 -0.718 8.826 -2.092 1.00 0.00 N ATOM 544 CA ARG A 36 -0.773 8.842 -3.544 1.00 0.00 C ATOM 545 C ARG A 36 0.611 9.140 -4.125 1.00 0.00 C ATOM 546 O ARG A 36 1.082 8.430 -5.011 1.00 0.00 O ATOM 547 CB ARG A 36 -1.767 9.891 -4.046 1.00 0.00 C ATOM 548 CG ARG A 36 -1.823 9.905 -5.575 1.00 0.00 C ATOM 549 CD ARG A 36 -3.239 10.210 -6.069 1.00 0.00 C ATOM 550 NE ARG A 36 -3.561 9.363 -7.239 1.00 0.00 N ATOM 551 CZ ARG A 36 -3.035 9.535 -8.459 1.00 0.00 C ATOM 552 NH1 ARG A 36 -2.158 10.525 -8.676 1.00 0.00 N ATOM 553 NH2 ARG A 36 -3.385 8.718 -9.461 1.00 0.00 N ATOM 0 H ARG A 36 -1.085 9.665 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.104 7.857 -3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.758 9.680 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.478 10.876 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.130 10.653 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.499 8.940 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.958 10.029 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.320 11.263 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.225 8.600 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.892 11.147 -7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.757 10.657 -9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.052 7.965 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.984 8.849 -10.390 1.00 0.00 H new ATOM 567 N THR A 37 1.222 10.193 -3.601 1.00 0.00 N ATOM 568 CA THR A 37 2.543 10.594 -4.057 1.00 0.00 C ATOM 569 C THR A 37 3.522 9.423 -3.953 1.00 0.00 C ATOM 570 O THR A 37 4.197 9.085 -4.924 1.00 0.00 O ATOM 571 CB THR A 37 2.971 11.818 -3.245 1.00 0.00 C ATOM 572 OG1 THR A 37 2.200 12.884 -3.792 1.00 0.00 O ATOM 573 CG2 THR A 37 4.420 12.226 -3.521 1.00 0.00 C ATOM 0 H THR A 37 0.827 10.780 -2.866 1.00 0.00 H new ATOM 0 HA THR A 37 2.530 10.873 -5.111 1.00 0.00 H new ATOM 0 HB THR A 37 2.849 11.610 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.340 12.938 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.673 13.099 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.085 11.402 -3.262 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.535 12.467 -4.578 1.00 0.00 H new ATOM 581 N PHE A 38 3.567 8.835 -2.766 1.00 0.00 N ATOM 582 CA PHE A 38 4.452 7.709 -2.522 1.00 0.00 C ATOM 583 C PHE A 38 4.192 6.580 -3.522 1.00 0.00 C ATOM 584 O PHE A 38 5.105 5.837 -3.876 1.00 0.00 O ATOM 585 CB PHE A 38 4.153 7.203 -1.110 1.00 0.00 C ATOM 586 CG PHE A 38 4.768 8.057 0.001 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.028 8.549 -0.138 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.054 8.324 1.127 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.599 9.341 0.892 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.625 9.117 2.158 1.00 0.00 C ATOM 591 CZ PHE A 38 5.885 9.609 2.019 1.00 0.00 C ATOM 0 H PHE A 38 3.005 9.117 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 38 5.491 8.022 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.073 7.166 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.522 6.182 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.595 8.337 -1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.053 7.933 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.600 9.731 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.058 9.329 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.319 10.212 2.803 1.00 0.00 H new ATOM 601 N CYS A 39 2.941 6.487 -3.948 1.00 0.00 N ATOM 602 CA CYS A 39 2.548 5.462 -4.899 1.00 0.00 C ATOM 603 C CYS A 39 2.369 6.121 -6.269 1.00 0.00 C ATOM 604 O CYS A 39 1.779 5.531 -7.173 1.00 0.00 O ATOM 605 CB CYS A 39 1.284 4.727 -4.449 1.00 0.00 C ATOM 606 SG CYS A 39 1.179 3.098 -5.278 1.00 0.00 S ATOM 0 H CYS A 39 2.186 7.105 -3.652 1.00 0.00 H new ATOM 0 HA CYS A 39 3.327 4.702 -4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.296 4.594 -3.367 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.403 5.323 -4.687 1.00 0.00 H new ATOM 0 HG CYS A 39 0.436 2.299 -4.572 1.00 0.00 H new ATOM 612 N ALA A 40 2.888 7.335 -6.378 1.00 0.00 N ATOM 613 CA ALA A 40 2.792 8.080 -7.622 1.00 0.00 C ATOM 614 C ALA A 40 4.093 7.916 -8.411 1.00 0.00 C ATOM 615 O ALA A 40 4.065 7.637 -9.609 1.00 0.00 O ATOM 616 CB ALA A 40 2.477 9.546 -7.316 1.00 0.00 C ATOM 0 H ALA A 40 3.376 7.821 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 40 1.981 7.694 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.405 10.105 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.530 9.610 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.271 9.968 -6.701 1.00 0.00 H new ATOM 622 N SER A 41 5.201 8.096 -7.707 1.00 0.00 N ATOM 623 CA SER A 41 6.509 7.971 -8.327 1.00 0.00 C ATOM 624 C SER A 41 7.596 7.929 -7.251 1.00 0.00 C ATOM 625 O SER A 41 8.669 8.506 -7.424 1.00 0.00 O ATOM 626 CB SER A 41 6.770 9.123 -9.300 1.00 0.00 C ATOM 627 OG SER A 41 7.419 8.681 -10.489 1.00 0.00 O ATOM 0 H SER A 41 5.220 8.327 -6.714 1.00 0.00 H new ATOM 0 HA SER A 41 6.531 7.040 -8.894 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.825 9.600 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.385 9.878 -8.811 1.00 0.00 H new ATOM 0 HG SER A 41 7.566 9.445 -11.085 1.00 0.00 H new ATOM 633 N GLU A 42 7.281 7.240 -6.164 1.00 0.00 N ATOM 634 CA GLU A 42 8.218 7.115 -5.060 1.00 0.00 C ATOM 635 C GLU A 42 8.567 5.644 -4.824 1.00 0.00 C ATOM 636 O GLU A 42 9.739 5.294 -4.688 1.00 0.00 O ATOM 637 CB GLU A 42 7.656 7.755 -3.789 1.00 0.00 C ATOM 638 CG GLU A 42 8.783 8.173 -2.842 1.00 0.00 C ATOM 639 CD GLU A 42 9.281 9.582 -3.171 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.439 10.393 -3.614 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.492 9.817 -2.971 1.00 0.00 O ATOM 0 H GLU A 42 6.391 6.763 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 42 9.132 7.648 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.055 8.625 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.995 7.051 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.428 8.140 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.608 7.465 -2.918 1.00 0.00 H new ATOM 648 N TRP A 43 7.529 4.821 -4.783 1.00 0.00 N ATOM 649 CA TRP A 43 7.712 3.396 -4.566 1.00 0.00 C ATOM 650 C TRP A 43 8.241 2.784 -5.865 1.00 0.00 C ATOM 651 O TRP A 43 9.168 1.976 -5.841 1.00 0.00 O ATOM 652 CB TRP A 43 6.414 2.745 -4.084 1.00 0.00 C ATOM 653 CG TRP A 43 6.152 2.914 -2.586 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.996 3.360 -1.646 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.923 2.620 -1.890 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.404 3.375 -0.400 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.103 2.910 -0.553 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.699 2.124 -2.374 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.101 2.738 0.410 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.708 1.958 -1.399 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.874 2.246 -0.049 1.00 0.00 C ATOM 0 H TRP A 43 6.559 5.114 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 43 8.440 3.216 -3.775 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.578 3.171 -4.639 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.444 1.681 -4.319 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.013 3.669 -1.839 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.840 3.672 0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.536 1.890 -3.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.266 2.972 1.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.748 1.580 -1.718 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.059 2.091 0.643 1.00 0.00 H new ATOM 672 N PRO A 44 7.614 3.205 -6.996 1.00 0.00 N ATOM 673 CA PRO A 44 8.013 2.707 -8.302 1.00 0.00 C ATOM 674 C PRO A 44 9.329 3.344 -8.753 1.00 0.00 C ATOM 675 O PRO A 44 9.794 3.094 -9.864 1.00 0.00 O ATOM 676 CB PRO A 44 6.848 3.036 -9.221 1.00 0.00 C ATOM 677 CG PRO A 44 6.045 4.112 -8.507 1.00 0.00 C ATOM 678 CD PRO A 44 6.513 4.161 -7.062 1.00 0.00 C ATOM 0 HA PRO A 44 8.212 1.635 -8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.202 3.391 -10.189 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.237 2.153 -9.409 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.190 5.079 -8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.979 3.888 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.842 5.163 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.711 3.889 -6.376 1.00 0.00 H new ATOM 686 N THR A 45 9.891 4.154 -7.868 1.00 0.00 N ATOM 687 CA THR A 45 11.144 4.828 -8.162 1.00 0.00 C ATOM 688 C THR A 45 12.245 4.344 -7.215 1.00 0.00 C ATOM 689 O THR A 45 13.245 5.032 -7.018 1.00 0.00 O ATOM 690 CB THR A 45 10.898 6.336 -8.087 1.00 0.00 C ATOM 691 OG1 THR A 45 9.987 6.486 -7.001 1.00 0.00 O ATOM 692 CG2 THR A 45 10.126 6.865 -9.297 1.00 0.00 C ATOM 0 H THR A 45 9.502 4.359 -6.948 1.00 0.00 H new ATOM 0 HA THR A 45 11.495 4.591 -9.166 1.00 0.00 H new ATOM 0 HB THR A 45 11.853 6.856 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.329 6.006 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.979 7.940 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.692 6.663 -10.206 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.157 6.370 -9.355 1.00 0.00 H new ATOM 700 N PHE A 46 12.022 3.165 -6.655 1.00 0.00 N ATOM 701 CA PHE A 46 12.983 2.581 -5.734 1.00 0.00 C ATOM 702 C PHE A 46 13.848 1.533 -6.436 1.00 0.00 C ATOM 703 O PHE A 46 14.919 1.177 -5.946 1.00 0.00 O ATOM 704 CB PHE A 46 12.180 1.901 -4.623 1.00 0.00 C ATOM 705 CG PHE A 46 11.659 2.863 -3.554 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.813 4.205 -3.713 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.040 2.377 -2.444 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.329 5.098 -2.721 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.556 3.270 -1.452 1.00 0.00 C ATOM 710 CZ PHE A 46 10.711 4.612 -1.611 1.00 0.00 C ATOM 0 H PHE A 46 11.191 2.598 -6.821 1.00 0.00 H new ATOM 0 HA PHE A 46 13.643 3.356 -5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.335 1.377 -5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.806 1.148 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.304 4.591 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.917 1.312 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.452 6.164 -2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.065 2.884 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.344 5.291 -0.856 1.00 0.00 H new ATOM 720 N ASP A 47 13.352 1.067 -7.573 1.00 0.00 N ATOM 721 CA ASP A 47 14.067 0.067 -8.347 1.00 0.00 C ATOM 722 C ASP A 47 13.913 -1.299 -7.675 1.00 0.00 C ATOM 723 O ASP A 47 14.746 -1.690 -6.860 1.00 0.00 O ATOM 724 CB ASP A 47 15.560 0.392 -8.422 1.00 0.00 C ATOM 725 CG ASP A 47 16.254 -0.048 -9.713 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.675 -0.917 -10.401 1.00 0.00 O ATOM 727 OD2 ASP A 47 17.348 0.494 -9.982 1.00 0.00 O ATOM 0 H ASP A 47 12.463 1.364 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 47 13.649 0.058 -9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.688 1.468 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.062 -0.081 -7.578 1.00 0.00 H new ATOM 732 N VAL A 48 12.841 -1.986 -8.042 1.00 0.00 N ATOM 733 CA VAL A 48 12.567 -3.299 -7.484 1.00 0.00 C ATOM 734 C VAL A 48 11.574 -4.034 -8.386 1.00 0.00 C ATOM 735 O VAL A 48 11.750 -5.217 -8.675 1.00 0.00 O ATOM 736 CB VAL A 48 12.077 -3.163 -6.041 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.252 -2.999 -5.075 1.00 0.00 C ATOM 738 CG2 VAL A 48 11.089 -2.002 -5.904 1.00 0.00 C ATOM 0 H VAL A 48 12.152 -1.658 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 48 13.478 -3.897 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 48 11.553 -4.082 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.875 -2.904 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.902 -3.871 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.817 -2.104 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.756 -1.928 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.577 -1.072 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.229 -2.178 -6.550 1.00 0.00 H new ATOM 748 N GLY A 49 10.551 -3.304 -8.805 1.00 0.00 N ATOM 749 CA GLY A 49 9.530 -3.872 -9.669 1.00 0.00 C ATOM 750 C GLY A 49 8.131 -3.462 -9.206 1.00 0.00 C ATOM 751 O GLY A 49 7.206 -4.274 -9.217 1.00 0.00 O ATOM 0 H GLY A 49 10.407 -2.324 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.690 -3.539 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.613 -4.959 -9.670 1.00 0.00 H new ATOM 755 N TRP A 50 8.018 -2.202 -8.809 1.00 0.00 N ATOM 756 CA TRP A 50 6.747 -1.675 -8.343 1.00 0.00 C ATOM 757 C TRP A 50 6.174 -0.782 -9.445 1.00 0.00 C ATOM 758 O TRP A 50 6.851 0.121 -9.933 1.00 0.00 O ATOM 759 CB TRP A 50 6.913 -0.946 -7.009 1.00 0.00 C ATOM 760 CG TRP A 50 5.642 -0.249 -6.518 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.146 0.933 -6.908 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.719 -0.744 -5.525 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.976 1.236 -6.241 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.708 0.184 -5.374 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.737 -1.936 -4.780 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.641 0.016 -4.483 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.664 -2.088 -3.894 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.639 -1.164 -3.729 1.00 0.00 C ATOM 0 H TRP A 50 8.786 -1.531 -8.801 1.00 0.00 H new ATOM 0 HA TRP A 50 6.042 -2.483 -8.148 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.238 -1.662 -6.254 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.706 -0.205 -7.108 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.604 1.569 -7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.412 2.077 -6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.517 -2.676 -4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.861 0.757 -4.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.630 -2.987 -3.296 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.845 -1.355 -3.023 1.00 0.00 H new ATOM 779 N PRO A 51 4.897 -1.073 -9.815 1.00 0.00 N ATOM 780 CA PRO A 51 4.225 -0.307 -10.850 1.00 0.00 C ATOM 781 C PRO A 51 3.797 1.065 -10.326 1.00 0.00 C ATOM 782 O PRO A 51 3.845 1.317 -9.123 1.00 0.00 O ATOM 783 CB PRO A 51 3.051 -1.171 -11.279 1.00 0.00 C ATOM 784 CG PRO A 51 2.837 -2.172 -10.155 1.00 0.00 C ATOM 785 CD PRO A 51 4.064 -2.135 -9.259 1.00 0.00 C ATOM 0 HA PRO A 51 4.873 -0.088 -11.699 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.158 -0.566 -11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.263 -1.679 -12.219 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.941 -1.922 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.689 -3.174 -10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.793 -1.925 -8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.587 -3.092 -9.263 1.00 0.00 H new ATOM 793 N PRO A 52 3.377 1.940 -11.280 1.00 0.00 N ATOM 794 CA PRO A 52 2.941 3.280 -10.927 1.00 0.00 C ATOM 795 C PRO A 52 1.550 3.254 -10.289 1.00 0.00 C ATOM 796 O PRO A 52 1.243 4.076 -9.428 1.00 0.00 O ATOM 797 CB PRO A 52 2.983 4.063 -12.228 1.00 0.00 C ATOM 798 CG PRO A 52 2.992 3.025 -13.339 1.00 0.00 C ATOM 799 CD PRO A 52 3.307 1.676 -12.714 1.00 0.00 C ATOM 0 HA PRO A 52 3.580 3.746 -10.177 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.119 4.721 -12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.871 4.694 -12.276 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.026 2.996 -13.842 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.737 3.280 -14.093 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.534 0.943 -12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.249 1.276 -13.090 1.00 0.00 H new ATOM 807 N GLU A 53 0.747 2.300 -10.737 1.00 0.00 N ATOM 808 CA GLU A 53 -0.604 2.156 -10.222 1.00 0.00 C ATOM 809 C GLU A 53 -0.588 1.386 -8.900 1.00 0.00 C ATOM 810 O GLU A 53 -1.488 1.541 -8.077 1.00 0.00 O ATOM 811 CB GLU A 53 -1.511 1.471 -11.246 1.00 0.00 C ATOM 812 CG GLU A 53 -1.952 2.454 -12.332 1.00 0.00 C ATOM 813 CD GLU A 53 -2.804 3.579 -11.741 1.00 0.00 C ATOM 814 OE1 GLU A 53 -3.270 3.396 -10.596 1.00 0.00 O ATOM 815 OE2 GLU A 53 -2.971 4.595 -12.449 1.00 0.00 O ATOM 0 H GLU A 53 1.006 1.619 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.010 3.150 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.983 0.633 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.387 1.061 -10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.075 2.877 -12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.521 1.925 -13.097 1.00 0.00 H new ATOM 822 N GLY A 54 0.445 0.572 -8.739 1.00 0.00 N ATOM 823 CA GLY A 54 0.589 -0.223 -7.531 1.00 0.00 C ATOM 824 C GLY A 54 0.292 -1.699 -7.807 1.00 0.00 C ATOM 825 O GLY A 54 -0.100 -2.060 -8.916 1.00 0.00 O ATOM 0 H GLY A 54 1.190 0.446 -9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.602 -0.119 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.088 0.150 -6.763 1.00 0.00 H new ATOM 829 N THR A 55 0.490 -2.511 -6.780 1.00 0.00 N ATOM 830 CA THR A 55 0.248 -3.939 -6.898 1.00 0.00 C ATOM 831 C THR A 55 -0.034 -4.548 -5.523 1.00 0.00 C ATOM 832 O THR A 55 0.536 -4.118 -4.521 1.00 0.00 O ATOM 833 CB THR A 55 1.452 -4.566 -7.604 1.00 0.00 C ATOM 834 OG1 THR A 55 1.049 -5.911 -7.850 1.00 0.00 O ATOM 835 CG2 THR A 55 2.666 -4.703 -6.683 1.00 0.00 C ATOM 0 H THR A 55 0.815 -2.208 -5.862 1.00 0.00 H new ATOM 0 HA THR A 55 -0.640 -4.141 -7.497 1.00 0.00 H new ATOM 0 HB THR A 55 1.720 -3.960 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.300 -5.918 -8.482 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.492 -5.153 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.964 -3.718 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.409 -5.336 -5.834 1.00 0.00 H new ATOM 843 N PHE A 56 -0.914 -5.539 -5.519 1.00 0.00 N ATOM 844 CA PHE A 56 -1.279 -6.210 -4.283 1.00 0.00 C ATOM 845 C PHE A 56 -0.488 -7.509 -4.111 1.00 0.00 C ATOM 846 O PHE A 56 -1.059 -8.550 -3.790 1.00 0.00 O ATOM 847 CB PHE A 56 -2.769 -6.544 -4.379 1.00 0.00 C ATOM 848 CG PHE A 56 -3.687 -5.326 -4.263 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.616 -4.521 -3.168 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.576 -5.047 -5.254 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.468 -3.391 -3.061 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.429 -3.917 -5.146 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.357 -3.113 -4.052 1.00 0.00 C ATOM 0 H PHE A 56 -1.385 -5.893 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.060 -5.566 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.959 -7.040 -5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.023 -7.254 -3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.911 -4.742 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.633 -5.685 -6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.410 -2.752 -2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.135 -3.696 -5.933 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.006 -2.254 -3.970 1.00 0.00 H new ATOM 863 N ASP A 57 0.814 -7.405 -4.332 1.00 0.00 N ATOM 864 CA ASP A 57 1.689 -8.558 -4.205 1.00 0.00 C ATOM 865 C ASP A 57 2.628 -8.352 -3.014 1.00 0.00 C ATOM 866 O ASP A 57 3.557 -7.549 -3.082 1.00 0.00 O ATOM 867 CB ASP A 57 2.549 -8.737 -5.458 1.00 0.00 C ATOM 868 CG ASP A 57 3.269 -10.083 -5.561 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.144 -10.869 -4.596 1.00 0.00 O ATOM 870 OD2 ASP A 57 3.928 -10.297 -6.601 1.00 0.00 O ATOM 0 H ASP A 57 1.284 -6.540 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 57 1.065 -9.441 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.915 -8.613 -6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.293 -7.941 -5.487 1.00 0.00 H new ATOM 875 N LEU A 58 2.352 -9.092 -1.950 1.00 0.00 N ATOM 876 CA LEU A 58 3.159 -9.000 -0.745 1.00 0.00 C ATOM 877 C LEU A 58 4.641 -9.021 -1.127 1.00 0.00 C ATOM 878 O LEU A 58 5.441 -8.276 -0.563 1.00 0.00 O ATOM 879 CB LEU A 58 2.765 -10.095 0.248 1.00 0.00 C ATOM 880 CG LEU A 58 3.207 -9.878 1.697 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.244 -8.941 2.429 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.375 -11.212 2.425 1.00 0.00 C ATOM 0 H LEU A 58 1.581 -9.758 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 58 2.974 -8.056 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.680 -10.199 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.181 -11.040 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 58 4.183 -9.393 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.581 -8.803 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.220 -7.976 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.244 -9.375 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.690 -11.029 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.426 -11.748 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.130 -11.812 1.916 1.00 0.00 H new ATOM 894 N THR A 59 4.961 -9.881 -2.083 1.00 0.00 N ATOM 895 CA THR A 59 6.332 -10.007 -2.546 1.00 0.00 C ATOM 896 C THR A 59 6.874 -8.646 -2.987 1.00 0.00 C ATOM 897 O THR A 59 7.973 -8.255 -2.595 1.00 0.00 O ATOM 898 CB THR A 59 6.360 -11.060 -3.656 1.00 0.00 C ATOM 899 OG1 THR A 59 6.135 -12.291 -2.973 1.00 0.00 O ATOM 900 CG2 THR A 59 7.752 -11.225 -4.271 1.00 0.00 C ATOM 0 H THR A 59 4.295 -10.497 -2.549 1.00 0.00 H new ATOM 0 HA THR A 59 6.991 -10.340 -1.744 1.00 0.00 H new ATOM 0 HB THR A 59 5.649 -10.785 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.136 -13.028 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.717 -11.984 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.075 -10.276 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.457 -11.533 -3.499 1.00 0.00 H new ATOM 908 N VAL A 60 6.079 -7.962 -3.796 1.00 0.00 N ATOM 909 CA VAL A 60 6.465 -6.652 -4.293 1.00 0.00 C ATOM 910 C VAL A 60 6.427 -5.643 -3.144 1.00 0.00 C ATOM 911 O VAL A 60 7.229 -4.711 -3.105 1.00 0.00 O ATOM 912 CB VAL A 60 5.570 -6.254 -5.468 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.865 -4.823 -5.922 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.719 -7.239 -6.630 1.00 0.00 C ATOM 0 H VAL A 60 5.169 -8.290 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 60 7.487 -6.674 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 60 4.535 -6.291 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.215 -4.565 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.684 -4.135 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.906 -4.748 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.072 -6.933 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.755 -7.249 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.436 -8.238 -6.299 1.00 0.00 H new ATOM 924 N ILE A 61 5.487 -5.863 -2.236 1.00 0.00 N ATOM 925 CA ILE A 61 5.335 -4.984 -1.089 1.00 0.00 C ATOM 926 C ILE A 61 6.573 -5.097 -0.198 1.00 0.00 C ATOM 927 O ILE A 61 7.193 -4.089 0.140 1.00 0.00 O ATOM 928 CB ILE A 61 4.022 -5.279 -0.360 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.824 -4.750 -1.151 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.054 -4.730 1.068 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.513 -5.318 -0.606 1.00 0.00 C ATOM 0 H ILE A 61 4.823 -6.637 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 61 5.268 -3.945 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 61 3.907 -6.360 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.802 -3.661 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.931 -5.017 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.110 -4.953 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.872 -5.195 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.203 -3.651 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.678 -4.926 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.528 -6.405 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.397 -5.028 0.438 1.00 0.00 H new ATOM 943 N PHE A 62 6.895 -6.331 0.159 1.00 0.00 N ATOM 944 CA PHE A 62 8.048 -6.588 1.005 1.00 0.00 C ATOM 945 C PHE A 62 9.315 -5.973 0.407 1.00 0.00 C ATOM 946 O PHE A 62 10.260 -5.664 1.131 1.00 0.00 O ATOM 947 CB PHE A 62 8.219 -8.107 1.079 1.00 0.00 C ATOM 948 CG PHE A 62 8.085 -8.680 2.492 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.858 -9.007 2.979 1.00 0.00 C ATOM 950 CD2 PHE A 62 9.192 -8.862 3.259 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.734 -9.539 4.290 1.00 0.00 C ATOM 952 CE2 PHE A 62 9.068 -9.394 4.570 1.00 0.00 C ATOM 953 CZ PHE A 62 7.841 -9.721 5.058 1.00 0.00 C ATOM 0 H PHE A 62 6.378 -7.164 -0.122 1.00 0.00 H new ATOM 0 HA PHE A 62 7.892 -6.147 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.476 -8.578 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.199 -8.372 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.978 -8.862 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.166 -8.602 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.760 -9.799 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.948 -9.539 5.179 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.746 -10.125 6.055 1.00 0.00 H new ATOM 963 N GLU A 63 9.294 -5.815 -0.908 1.00 0.00 N ATOM 964 CA GLU A 63 10.429 -5.243 -1.612 1.00 0.00 C ATOM 965 C GLU A 63 10.544 -3.748 -1.306 1.00 0.00 C ATOM 966 O GLU A 63 11.606 -3.272 -0.909 1.00 0.00 O ATOM 967 CB GLU A 63 10.322 -5.488 -3.118 1.00 0.00 C ATOM 968 CG GLU A 63 10.608 -6.953 -3.457 1.00 0.00 C ATOM 969 CD GLU A 63 12.113 -7.205 -3.570 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.713 -6.642 -4.511 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.629 -7.954 -2.713 1.00 0.00 O ATOM 0 H GLU A 63 8.508 -6.073 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 63 11.335 -5.737 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.324 -5.219 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.026 -4.845 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.184 -7.598 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.120 -7.215 -4.396 1.00 0.00 H new ATOM 978 N VAL A 64 9.436 -3.050 -1.503 1.00 0.00 N ATOM 979 CA VAL A 64 9.398 -1.619 -1.254 1.00 0.00 C ATOM 980 C VAL A 64 9.431 -1.367 0.255 1.00 0.00 C ATOM 981 O VAL A 64 10.053 -0.411 0.715 1.00 0.00 O ATOM 982 CB VAL A 64 8.177 -1.000 -1.938 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.796 0.329 -1.281 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.420 -0.821 -3.437 1.00 0.00 C ATOM 0 H VAL A 64 8.557 -3.449 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 64 10.274 -1.133 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 64 7.340 -1.687 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.926 0.748 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.560 0.161 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.631 1.026 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.537 -0.379 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.276 -0.165 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.620 -1.791 -3.892 1.00 0.00 H new ATOM 994 N LYS A 65 8.752 -2.241 0.983 1.00 0.00 N ATOM 995 CA LYS A 65 8.695 -2.126 2.430 1.00 0.00 C ATOM 996 C LYS A 65 10.111 -2.229 3.002 1.00 0.00 C ATOM 997 O LYS A 65 10.544 -1.359 3.756 1.00 0.00 O ATOM 998 CB LYS A 65 7.721 -3.153 3.012 1.00 0.00 C ATOM 999 CG LYS A 65 8.160 -3.594 4.409 1.00 0.00 C ATOM 1000 CD LYS A 65 7.297 -4.752 4.915 1.00 0.00 C ATOM 1001 CE LYS A 65 5.895 -4.267 5.291 1.00 0.00 C ATOM 1002 NZ LYS A 65 4.894 -5.326 5.035 1.00 0.00 N ATOM 0 H LYS A 65 8.236 -3.032 0.598 1.00 0.00 H new ATOM 0 HA LYS A 65 8.304 -1.151 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.720 -2.724 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.665 -4.020 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.206 -3.899 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.088 -2.753 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.226 -5.521 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.771 -5.212 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.872 -3.983 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.646 -3.376 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.990 -5.064 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.758 -5.435 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.229 -6.225 5.437 1.00 0.00 H new ATOM 1016 N ALA A 66 10.793 -3.299 2.620 1.00 0.00 N ATOM 1017 CA ALA A 66 12.150 -3.526 3.085 1.00 0.00 C ATOM 1018 C ALA A 66 13.005 -2.296 2.772 1.00 0.00 C ATOM 1019 O ALA A 66 13.916 -1.961 3.527 1.00 0.00 O ATOM 1020 CB ALA A 66 12.704 -4.799 2.441 1.00 0.00 C ATOM 0 H ALA A 66 10.431 -4.018 1.994 1.00 0.00 H new ATOM 0 HA ALA A 66 12.166 -3.672 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.722 -4.970 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.079 -5.648 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.706 -4.687 1.357 1.00 0.00 H new ATOM 1026 N ILE A 67 12.680 -1.657 1.658 1.00 0.00 N ATOM 1027 CA ILE A 67 13.406 -0.471 1.237 1.00 0.00 C ATOM 1028 C ILE A 67 13.167 0.654 2.246 1.00 0.00 C ATOM 1029 O ILE A 67 14.117 1.253 2.749 1.00 0.00 O ATOM 1030 CB ILE A 67 13.034 -0.097 -0.199 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.606 -1.108 -1.195 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.467 1.334 -0.523 1.00 0.00 C ATOM 1033 CD1 ILE A 67 12.813 -1.097 -2.504 1.00 0.00 C ATOM 0 H ILE A 67 11.924 -1.938 1.034 1.00 0.00 H new ATOM 0 HA ILE A 67 14.478 -0.666 1.224 1.00 0.00 H new ATOM 0 HB ILE A 67 11.948 -0.133 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.651 -0.874 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.582 -2.107 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.191 1.574 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.972 2.027 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.547 1.422 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.240 -1.824 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.774 -1.356 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.860 -0.103 -2.949 1.00 0.00 H new ATOM 1045 N VAL A 68 11.894 0.906 2.513 1.00 0.00 N ATOM 1046 CA VAL A 68 11.519 1.948 3.454 1.00 0.00 C ATOM 1047 C VAL A 68 11.942 1.532 4.864 1.00 0.00 C ATOM 1048 O VAL A 68 12.341 2.372 5.670 1.00 0.00 O ATOM 1049 CB VAL A 68 10.022 2.241 3.341 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.560 2.179 1.883 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.208 1.284 4.215 1.00 0.00 C ATOM 0 H VAL A 68 11.109 0.407 2.094 1.00 0.00 H new ATOM 0 HA VAL A 68 12.037 2.878 3.220 1.00 0.00 H new ATOM 0 HB VAL A 68 9.851 3.254 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.492 2.391 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.106 2.918 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.752 1.184 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.147 1.514 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.388 0.257 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.508 1.398 5.257 1.00 0.00 H new ATOM 1061 N PHE A 69 11.841 0.236 5.120 1.00 0.00 N ATOM 1062 CA PHE A 69 12.208 -0.301 6.419 1.00 0.00 C ATOM 1063 C PHE A 69 13.711 -0.578 6.493 1.00 0.00 C ATOM 1064 O PHE A 69 14.189 -1.178 7.455 1.00 0.00 O ATOM 1065 CB PHE A 69 11.450 -1.619 6.588 1.00 0.00 C ATOM 1066 CG PHE A 69 10.059 -1.462 7.206 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.008 -1.088 6.428 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.874 -1.697 8.533 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.717 -0.943 7.001 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.583 -1.551 9.105 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.532 -1.177 8.327 1.00 0.00 C ATOM 0 H PHE A 69 11.510 -0.458 4.450 1.00 0.00 H new ATOM 0 HA PHE A 69 11.959 0.415 7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.352 -2.097 5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.041 -2.288 7.213 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.155 -0.901 5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.708 -1.994 9.151 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.882 -0.647 6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.435 -1.737 10.159 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.550 -1.066 8.763 1.00 0.00 H new ATOM 1081 N GLN A 70 14.415 -0.127 5.465 1.00 0.00 N ATOM 1082 CA GLN A 70 15.854 -0.318 5.402 1.00 0.00 C ATOM 1083 C GLN A 70 16.540 0.430 6.546 1.00 0.00 C ATOM 1084 O GLN A 70 15.873 0.973 7.426 1.00 0.00 O ATOM 1085 CB GLN A 70 16.407 0.127 4.046 1.00 0.00 C ATOM 1086 CG GLN A 70 16.592 1.645 4.001 1.00 0.00 C ATOM 1087 CD GLN A 70 17.177 2.086 2.658 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.369 2.298 2.510 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.273 2.212 1.690 1.00 0.00 N ATOM 0 H GLN A 70 14.015 0.370 4.669 1.00 0.00 H new ATOM 0 HA GLN A 70 16.065 -1.382 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.362 -0.365 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.728 -0.184 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.633 2.137 4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.252 1.959 4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.290 2.019 1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.563 2.502 0.756 1.00 0.00 H new ATOM 1098 N ASP A 71 17.864 0.436 6.497 1.00 0.00 N ATOM 1099 CA ASP A 71 18.648 1.109 7.519 1.00 0.00 C ATOM 1100 C ASP A 71 19.356 2.316 6.900 1.00 0.00 C ATOM 1101 O ASP A 71 19.720 2.291 5.725 1.00 0.00 O ATOM 1102 CB ASP A 71 19.716 0.179 8.096 1.00 0.00 C ATOM 1103 CG ASP A 71 20.858 0.882 8.831 1.00 0.00 C ATOM 1104 OD1 ASP A 71 21.738 1.424 8.127 1.00 0.00 O ATOM 1105 OD2 ASP A 71 20.826 0.863 10.081 1.00 0.00 O ATOM 0 H ASP A 71 18.414 -0.014 5.765 1.00 0.00 H new ATOM 0 HA ASP A 71 17.970 1.417 8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.236 -0.518 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.137 -0.414 7.284 1.00 0.00 H new ATOM 1110 N GLY A 72 19.531 3.343 7.718 1.00 0.00 N ATOM 1111 CA GLY A 72 20.190 4.557 7.265 1.00 0.00 C ATOM 1112 C GLY A 72 19.173 5.673 7.019 1.00 0.00 C ATOM 1113 O GLY A 72 17.991 5.520 7.323 1.00 0.00 O ATOM 0 H GLY A 72 19.228 3.360 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.917 4.880 8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.742 4.355 6.347 1.00 0.00 H new ATOM 1117 N PRO A 73 19.684 6.801 6.456 1.00 0.00 N ATOM 1118 CA PRO A 73 18.833 7.943 6.165 1.00 0.00 C ATOM 1119 C PRO A 73 17.964 7.680 4.933 1.00 0.00 C ATOM 1120 O PRO A 73 17.120 8.501 4.578 1.00 0.00 O ATOM 1121 CB PRO A 73 19.791 9.109 5.978 1.00 0.00 C ATOM 1122 CG PRO A 73 21.153 8.490 5.711 1.00 0.00 C ATOM 1123 CD PRO A 73 21.078 7.018 6.082 1.00 0.00 C ATOM 0 HA PRO A 73 18.122 8.152 6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.479 9.741 5.146 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.816 9.740 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.426 8.606 4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.922 8.993 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.367 6.383 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.751 6.783 6.907 1.00 0.00 H new ATOM 1131 N GLY A 74 18.201 6.532 4.316 1.00 0.00 N ATOM 1132 CA GLY A 74 17.450 6.150 3.132 1.00 0.00 C ATOM 1133 C GLY A 74 16.089 5.563 3.511 1.00 0.00 C ATOM 1134 O GLY A 74 15.172 5.531 2.692 1.00 0.00 O ATOM 0 H GLY A 74 18.902 5.854 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.309 7.020 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.018 5.419 2.557 1.00 0.00 H new ATOM 1138 N SER A 75 16.001 5.112 4.754 1.00 0.00 N ATOM 1139 CA SER A 75 14.767 4.527 5.252 1.00 0.00 C ATOM 1140 C SER A 75 13.666 5.588 5.297 1.00 0.00 C ATOM 1141 O SER A 75 13.937 6.758 5.562 1.00 0.00 O ATOM 1142 CB SER A 75 14.970 3.912 6.639 1.00 0.00 C ATOM 1143 OG SER A 75 15.712 4.771 7.500 1.00 0.00 O ATOM 0 H SER A 75 16.764 5.140 5.431 1.00 0.00 H new ATOM 0 HA SER A 75 14.467 3.730 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.999 3.700 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.491 2.959 6.541 1.00 0.00 H new ATOM 0 HG SER A 75 16.664 4.547 7.444 1.00 0.00 H new ATOM 1149 N HIS A 76 12.447 5.141 5.035 1.00 0.00 N ATOM 1150 CA HIS A 76 11.303 6.038 5.043 1.00 0.00 C ATOM 1151 C HIS A 76 10.316 5.602 6.127 1.00 0.00 C ATOM 1152 O HIS A 76 9.481 4.729 5.897 1.00 0.00 O ATOM 1153 CB HIS A 76 10.664 6.114 3.655 1.00 0.00 C ATOM 1154 CG HIS A 76 11.632 5.886 2.519 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.569 6.828 2.131 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.800 4.814 1.692 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.262 6.335 1.116 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.784 5.087 0.845 1.00 0.00 N ATOM 0 H HIS A 76 12.226 4.170 4.816 1.00 0.00 H new ATOM 0 HA HIS A 76 11.630 7.049 5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.866 5.374 3.593 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.201 7.093 3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.229 3.898 1.722 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.065 6.834 0.594 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.126 4.466 0.112 1.00 0.00 H new ATOM 1166 N PRO A 77 10.449 6.246 7.317 1.00 0.00 N ATOM 1167 CA PRO A 77 9.578 5.934 8.438 1.00 0.00 C ATOM 1168 C PRO A 77 8.184 6.529 8.232 1.00 0.00 C ATOM 1169 O PRO A 77 7.255 6.215 8.975 1.00 0.00 O ATOM 1170 CB PRO A 77 10.290 6.498 9.658 1.00 0.00 C ATOM 1171 CG PRO A 77 11.295 7.506 9.125 1.00 0.00 C ATOM 1172 CD PRO A 77 11.426 7.286 7.626 1.00 0.00 C ATOM 0 HA PRO A 77 9.407 4.864 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.583 6.973 10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.789 5.708 10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.963 8.523 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.260 7.379 9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.219 8.201 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.435 6.973 7.358 1.00 0.00 H new ATOM 1180 N ASP A 78 8.081 7.376 7.219 1.00 0.00 N ATOM 1181 CA ASP A 78 6.815 8.018 6.905 1.00 0.00 C ATOM 1182 C ASP A 78 5.957 7.063 6.073 1.00 0.00 C ATOM 1183 O ASP A 78 4.737 7.030 6.221 1.00 0.00 O ATOM 1184 CB ASP A 78 7.031 9.293 6.089 1.00 0.00 C ATOM 1185 CG ASP A 78 6.067 10.437 6.409 1.00 0.00 C ATOM 1186 OD1 ASP A 78 5.980 10.788 7.605 1.00 0.00 O ATOM 1187 OD2 ASP A 78 5.439 10.935 5.449 1.00 0.00 O ATOM 0 H ASP A 78 8.853 7.633 6.604 1.00 0.00 H new ATOM 0 HA ASP A 78 6.323 8.271 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.051 9.642 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.942 9.048 5.031 1.00 0.00 H new ATOM 1192 N GLN A 79 6.629 6.310 5.215 1.00 0.00 N ATOM 1193 CA GLN A 79 5.944 5.357 4.358 1.00 0.00 C ATOM 1194 C GLN A 79 5.807 4.008 5.068 1.00 0.00 C ATOM 1195 O GLN A 79 5.003 3.169 4.665 1.00 0.00 O ATOM 1196 CB GLN A 79 6.669 5.202 3.020 1.00 0.00 C ATOM 1197 CG GLN A 79 6.864 6.559 2.342 1.00 0.00 C ATOM 1198 CD GLN A 79 7.974 6.492 1.290 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.054 5.571 0.493 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.822 7.516 1.332 1.00 0.00 N ATOM 0 H GLN A 79 7.641 6.340 5.095 1.00 0.00 H new ATOM 0 HA GLN A 79 4.945 5.739 4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.638 4.729 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.097 4.544 2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.932 6.872 1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.112 7.311 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.697 8.254 2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.597 7.564 0.671 1.00 0.00 H new ATOM 1209 N GLN A 80 6.606 3.841 6.112 1.00 0.00 N ATOM 1210 CA GLN A 80 6.585 2.608 6.881 1.00 0.00 C ATOM 1211 C GLN A 80 5.146 2.235 7.245 1.00 0.00 C ATOM 1212 O GLN A 80 4.733 1.091 7.063 1.00 0.00 O ATOM 1213 CB GLN A 80 7.454 2.729 8.134 1.00 0.00 C ATOM 1214 CG GLN A 80 8.911 2.378 7.827 1.00 0.00 C ATOM 1215 CD GLN A 80 9.583 1.721 9.034 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.018 0.875 9.708 1.00 0.00 O ATOM 1217 NE2 GLN A 80 10.817 2.156 9.269 1.00 0.00 N ATOM 0 H GLN A 80 7.272 4.539 6.443 1.00 0.00 H new ATOM 0 HA GLN A 80 7.002 1.811 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.396 3.745 8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.073 2.066 8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.954 1.704 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.456 3.281 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.231 2.867 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.350 1.779 10.053 1.00 0.00 H new ATOM 1226 N PRO A 81 4.404 3.248 7.767 1.00 0.00 N ATOM 1227 CA PRO A 81 3.021 3.037 8.158 1.00 0.00 C ATOM 1228 C PRO A 81 2.110 2.956 6.931 1.00 0.00 C ATOM 1229 O PRO A 81 1.033 2.365 6.991 1.00 0.00 O ATOM 1230 CB PRO A 81 2.687 4.208 9.069 1.00 0.00 C ATOM 1231 CG PRO A 81 3.736 5.270 8.784 1.00 0.00 C ATOM 1232 CD PRO A 81 4.860 4.616 7.997 1.00 0.00 C ATOM 0 HA PRO A 81 2.870 2.090 8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.684 4.586 8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.710 3.907 10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.302 6.093 8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.116 5.690 9.715 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.040 5.137 7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.796 4.633 8.555 1.00 0.00 H new ATOM 1240 N TYR A 82 2.576 3.558 5.847 1.00 0.00 N ATOM 1241 CA TYR A 82 1.817 3.560 4.608 1.00 0.00 C ATOM 1242 C TYR A 82 1.898 2.200 3.913 1.00 0.00 C ATOM 1243 O TYR A 82 0.876 1.639 3.519 1.00 0.00 O ATOM 1244 CB TYR A 82 2.473 4.616 3.714 1.00 0.00 C ATOM 1245 CG TYR A 82 2.143 6.057 4.109 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.396 6.495 5.393 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.593 6.918 3.182 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.086 7.852 5.765 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.283 8.274 3.554 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.545 8.674 4.827 1.00 0.00 C ATOM 1251 OH TYR A 82 1.252 9.955 5.178 1.00 0.00 O ATOM 0 H TYR A 82 3.470 4.048 5.801 1.00 0.00 H new ATOM 0 HA TYR A 82 0.765 3.771 4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.554 4.481 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.158 4.451 2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.826 5.821 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.395 6.575 2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.279 8.208 6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.852 8.958 2.838 1.00 0.00 H new ATOM 0 HH TYR A 82 2.029 10.527 5.006 1.00 0.00 H new ATOM 1261 N ILE A 83 3.121 1.709 3.783 1.00 0.00 N ATOM 1262 CA ILE A 83 3.348 0.425 3.142 1.00 0.00 C ATOM 1263 C ILE A 83 2.822 -0.692 4.046 1.00 0.00 C ATOM 1264 O ILE A 83 2.310 -1.699 3.560 1.00 0.00 O ATOM 1265 CB ILE A 83 4.823 0.267 2.765 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.057 -1.037 2.000 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.719 0.376 4.000 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.074 -1.174 0.836 1.00 0.00 C ATOM 0 H ILE A 83 3.966 2.177 4.111 1.00 0.00 H new ATOM 0 HA ILE A 83 2.795 0.365 2.205 1.00 0.00 H new ATOM 0 HB ILE A 83 5.094 1.085 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.079 -1.063 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.946 -1.885 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.762 0.260 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.580 1.352 4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.455 -0.406 4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.262 -2.109 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.054 -1.172 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.205 -0.338 0.149 1.00 0.00 H new ATOM 1280 N THR A 84 2.966 -0.475 5.345 1.00 0.00 N ATOM 1281 CA THR A 84 2.511 -1.450 6.322 1.00 0.00 C ATOM 1282 C THR A 84 1.045 -1.811 6.073 1.00 0.00 C ATOM 1283 O THR A 84 0.668 -2.979 6.148 1.00 0.00 O ATOM 1284 CB THR A 84 2.768 -0.877 7.717 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.151 -1.132 7.948 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.055 -1.669 8.815 1.00 0.00 C ATOM 0 H THR A 84 3.391 0.362 5.744 1.00 0.00 H new ATOM 0 HA THR A 84 3.063 -2.386 6.233 1.00 0.00 H new ATOM 0 HB THR A 84 2.441 0.162 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.682 -0.376 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.270 -1.221 9.785 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.980 -1.650 8.637 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.406 -2.701 8.806 1.00 0.00 H new ATOM 1294 N VAL A 85 0.258 -0.785 5.781 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.158 -0.979 5.521 1.00 0.00 C ATOM 1296 C VAL A 85 -1.329 -1.818 4.253 1.00 0.00 C ATOM 1297 O VAL A 85 -2.154 -2.730 4.214 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.866 0.375 5.442 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.264 0.228 4.838 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.929 1.042 6.817 1.00 0.00 C ATOM 0 H VAL A 85 0.575 0.183 5.719 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.625 -1.527 6.339 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.283 1.020 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.746 1.205 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.184 -0.184 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.860 -0.442 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.437 2.003 6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.477 0.401 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.918 1.198 7.192 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.535 -1.480 3.247 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.589 -2.191 1.981 1.00 0.00 C ATOM 1312 C TRP A 86 -0.473 -3.688 2.274 1.00 0.00 C ATOM 1313 O TRP A 86 -1.272 -4.484 1.783 1.00 0.00 O ATOM 1314 CB TRP A 86 0.491 -1.685 1.022 1.00 0.00 C ATOM 1315 CG TRP A 86 0.049 -0.505 0.154 1.00 0.00 C ATOM 1316 CD1 TRP A 86 -0.077 0.780 0.511 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.324 -0.555 -1.240 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.501 1.559 -0.547 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.656 0.722 -1.645 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.377 -1.643 -2.129 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.066 1.030 -2.947 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -0.789 -1.318 -3.427 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.127 -0.038 -3.850 1.00 0.00 C ATOM 0 H TRP A 86 0.149 -0.724 3.283 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.537 -2.007 1.476 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.366 -1.390 1.600 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.799 -2.505 0.373 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.127 1.159 1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.670 2.565 -0.526 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.120 -2.650 -1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.322 2.038 -3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -0.848 -2.118 -4.150 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.435 0.132 -4.871 1.00 0.00 H new ATOM 1334 N GLN A 87 0.528 -4.027 3.073 1.00 0.00 N ATOM 1335 CA GLN A 87 0.758 -5.415 3.437 1.00 0.00 C ATOM 1336 C GLN A 87 -0.515 -6.027 4.026 1.00 0.00 C ATOM 1337 O GLN A 87 -0.765 -7.221 3.866 1.00 0.00 O ATOM 1338 CB GLN A 87 1.928 -5.538 4.415 1.00 0.00 C ATOM 1339 CG GLN A 87 1.981 -6.936 5.034 1.00 0.00 C ATOM 1340 CD GLN A 87 1.511 -6.910 6.490 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.052 -5.902 7.002 1.00 0.00 O ATOM 1342 NE2 GLN A 87 1.651 -8.070 7.125 1.00 0.00 N ATOM 0 H GLN A 87 1.189 -3.365 3.479 1.00 0.00 H new ATOM 0 HA GLN A 87 1.021 -5.968 2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.864 -5.331 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.828 -4.791 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.354 -7.617 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.999 -7.321 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.043 -8.875 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.366 -8.155 8.101 1.00 0.00 H new ATOM 1351 N ASP A 88 -1.286 -5.182 4.694 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.526 -5.625 5.307 1.00 0.00 C ATOM 1353 C ASP A 88 -3.588 -5.812 4.222 1.00 0.00 C ATOM 1354 O ASP A 88 -4.489 -6.637 4.365 1.00 0.00 O ATOM 1355 CB ASP A 88 -3.048 -4.589 6.306 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.569 -5.167 7.623 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.825 -6.390 7.645 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.701 -4.372 8.579 1.00 0.00 O ATOM 0 H ASP A 88 -1.076 -4.192 4.824 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.328 -6.561 5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.247 -3.884 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.850 -4.022 5.833 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.447 -5.031 3.160 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.383 -5.101 2.051 1.00 0.00 C ATOM 1365 C LEU A 89 -4.245 -6.456 1.356 1.00 0.00 C ATOM 1366 O LEU A 89 -5.232 -7.165 1.167 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.192 -3.907 1.114 1.00 0.00 C ATOM 1368 CG LEU A 89 -5.140 -2.725 1.331 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -6.554 -3.209 1.658 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -4.596 -1.776 2.401 1.00 0.00 C ATOM 0 H LEU A 89 -2.699 -4.347 3.045 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.409 -5.032 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.168 -3.549 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.306 -4.255 0.087 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.201 -2.160 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.207 -2.349 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.932 -3.813 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.532 -3.810 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.288 -0.945 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.487 -2.314 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.625 -1.392 2.087 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.011 -6.777 0.995 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.730 -8.036 0.326 1.00 0.00 C ATOM 1384 C VAL A 90 -3.042 -9.194 1.275 1.00 0.00 C ATOM 1385 O VAL A 90 -3.469 -10.262 0.837 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.286 -8.049 -0.180 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.040 -6.906 -1.167 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.297 -7.989 0.986 1.00 0.00 C ATOM 0 H VAL A 90 -2.194 -6.187 1.153 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.368 -8.154 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.125 -8.988 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.006 -6.938 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.710 -7.012 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.228 -5.952 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.722 -8.000 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.460 -7.073 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.448 -8.851 1.636 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.817 -8.945 2.556 1.00 0.00 N ATOM 1399 CA GLN A 91 -3.069 -9.954 3.571 1.00 0.00 C ATOM 1400 C GLN A 91 -4.573 -10.179 3.734 1.00 0.00 C ATOM 1401 O GLN A 91 -5.087 -11.241 3.385 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.425 -9.564 4.903 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.914 -9.800 4.872 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.550 -11.118 5.560 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -0.114 -11.154 6.698 1.00 0.00 O ATOM 1406 NE2 GLN A 91 -0.755 -12.195 4.807 1.00 0.00 N ATOM 0 H GLN A 91 -2.463 -8.058 2.915 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.615 -10.890 3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.628 -8.514 5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.871 -10.145 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.566 -9.817 3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.403 -8.974 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.123 -12.093 3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.544 -13.123 5.175 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.237 -9.162 4.263 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.673 -9.236 4.476 1.00 0.00 C ATOM 1417 C ASN A 92 -7.397 -8.777 3.209 1.00 0.00 C ATOM 1418 O ASN A 92 -8.204 -7.851 3.252 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.107 -8.323 5.625 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.656 -8.886 6.974 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -6.993 -9.994 7.357 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.876 -8.064 7.670 1.00 0.00 N ATOM 0 H ASN A 92 -4.808 -8.283 4.550 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.925 -10.268 4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.685 -7.328 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.191 -8.213 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.522 -8.348 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.632 -7.149 7.291 1.00 0.00 H new ATOM 1429 N SER A 93 -7.081 -9.448 2.110 1.00 0.00 N ATOM 1430 CA SER A 93 -7.691 -9.121 0.833 1.00 0.00 C ATOM 1431 C SER A 93 -9.161 -8.747 1.035 1.00 0.00 C ATOM 1432 O SER A 93 -9.980 -9.598 1.380 1.00 0.00 O ATOM 1433 CB SER A 93 -7.570 -10.287 -0.150 1.00 0.00 C ATOM 1434 OG SER A 93 -8.591 -11.261 0.050 1.00 0.00 O ATOM 0 H SER A 93 -6.411 -10.216 2.078 1.00 0.00 H new ATOM 0 HA SER A 93 -7.161 -8.268 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.625 -9.908 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.593 -10.757 -0.037 1.00 0.00 H new ATOM 0 HG SER A 93 -9.126 -11.018 0.834 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.459 -7.440 0.806 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.816 -6.944 0.960 1.00 0.00 C ATOM 1442 C PRO A 94 -11.697 -7.386 -0.211 1.00 0.00 C ATOM 1443 O PRO A 94 -11.194 -7.879 -1.219 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.673 -5.434 1.059 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.300 -5.107 0.494 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.515 -6.404 0.396 1.00 0.00 C ATOM 0 HA PRO A 94 -11.313 -7.343 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.458 -4.930 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.759 -5.101 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.392 -4.642 -0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.782 -4.395 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.156 -6.574 -0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.639 -6.387 1.045 1.00 0.00 H new ATOM 1454 N PRO A 95 -13.031 -7.187 -0.033 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.986 -7.560 -1.062 1.00 0.00 C ATOM 1456 C PRO A 95 -13.958 -6.563 -2.223 1.00 0.00 C ATOM 1457 O PRO A 95 -14.328 -6.903 -3.346 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.330 -7.607 -0.352 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.152 -6.812 0.931 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.661 -6.606 1.149 1.00 0.00 C ATOM 0 HA PRO A 95 -13.758 -8.523 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.115 -7.175 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.622 -8.635 -0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.663 -5.852 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.591 -7.345 1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.418 -5.548 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.322 -7.098 2.061 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.515 -5.354 -1.912 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.433 -4.306 -2.915 1.00 0.00 C ATOM 1470 C TRP A 96 -12.158 -4.531 -3.731 1.00 0.00 C ATOM 1471 O TRP A 96 -11.910 -3.826 -4.708 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.493 -2.921 -2.268 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.657 -2.793 -0.993 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.993 -3.150 0.254 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.322 -2.255 -0.891 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.978 -2.882 1.148 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.929 -2.320 0.430 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.474 -1.729 -1.883 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.679 -1.877 0.881 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.229 -1.291 -1.416 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.819 -1.350 -0.089 1.00 0.00 C ATOM 0 H TRP A 96 -13.209 -5.077 -0.979 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.289 -4.349 -3.588 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.152 -2.179 -2.990 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.531 -2.685 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.940 -3.592 0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.994 -3.063 2.152 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.761 -1.668 -2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.394 -1.939 1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.539 -0.878 -2.137 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.840 -0.990 0.192 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.383 -5.515 -3.299 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.140 -5.841 -3.977 1.00 0.00 C ATOM 1494 C ILE A 97 -10.260 -7.226 -4.615 1.00 0.00 C ATOM 1495 O ILE A 97 -10.323 -7.347 -5.837 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.956 -5.706 -3.017 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.567 -4.238 -2.829 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.773 -6.558 -3.483 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.477 -4.092 -1.765 1.00 0.00 C ATOM 0 H ILE A 97 -11.592 -6.097 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.949 -5.134 -4.784 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.261 -6.085 -2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.214 -3.827 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.444 -3.660 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.945 -6.444 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.072 -7.605 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.458 -6.232 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.219 -3.039 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.842 -4.481 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.593 -4.651 -2.071 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.288 -8.237 -3.758 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.399 -9.609 -4.223 1.00 0.00 C ATOM 1513 C LYS A 98 -9.054 -10.059 -4.796 1.00 0.00 C ATOM 1514 O LYS A 98 -8.392 -9.302 -5.503 1.00 0.00 O ATOM 1515 CB LYS A 98 -11.564 -9.749 -5.205 1.00 0.00 C ATOM 1516 CG LYS A 98 -11.055 -9.927 -6.637 1.00 0.00 C ATOM 1517 CD LYS A 98 -10.705 -11.390 -6.916 1.00 0.00 C ATOM 1518 CE LYS A 98 -11.748 -12.039 -7.829 1.00 0.00 C ATOM 1519 NZ LYS A 98 -11.761 -13.507 -7.640 1.00 0.00 N ATOM 0 H LYS A 98 -10.236 -8.133 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.631 -10.275 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.180 -10.604 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.200 -8.866 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.815 -9.590 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.176 -9.302 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.721 -11.450 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.647 -11.939 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.735 -11.630 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.527 -11.802 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.474 -13.931 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.824 -13.895 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.994 -13.728 -6.651 1.00 0.00 H new ATOM 1533 N SER A 99 -8.690 -11.291 -4.469 1.00 0.00 N ATOM 1534 CA SER A 99 -7.436 -11.851 -4.943 1.00 0.00 C ATOM 1535 C SER A 99 -7.699 -13.150 -5.707 1.00 0.00 C ATOM 1536 O SER A 99 -8.382 -14.042 -5.206 1.00 0.00 O ATOM 1537 CB SER A 99 -6.473 -12.104 -3.782 1.00 0.00 C ATOM 1538 OG SER A 99 -5.944 -10.892 -3.252 1.00 0.00 O ATOM 0 H SER A 99 -9.242 -11.916 -3.882 1.00 0.00 H new ATOM 0 HA SER A 99 -6.971 -11.130 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.992 -12.648 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.654 -12.738 -4.122 1.00 0.00 H new ATOM 0 HG SER A 99 -5.335 -11.097 -2.512 1.00 0.00 H new ATOM 1544 N GLY A 100 -7.143 -13.216 -6.908 1.00 0.00 N ATOM 1545 CA GLY A 100 -7.308 -14.391 -7.746 1.00 0.00 C ATOM 1546 C GLY A 100 -6.613 -15.607 -7.130 1.00 0.00 C ATOM 1547 O GLY A 100 -5.411 -15.575 -6.872 1.00 0.00 O ATOM 0 H GLY A 100 -6.578 -12.474 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.369 -14.602 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.897 -14.196 -8.737 1.00 0.00 H new ATOM 1551 N PRO A 101 -7.421 -16.678 -6.905 1.00 0.00 N ATOM 1552 CA PRO A 101 -6.897 -17.902 -6.324 1.00 0.00 C ATOM 1553 C PRO A 101 -6.079 -18.690 -7.349 1.00 0.00 C ATOM 1554 O PRO A 101 -6.618 -19.540 -8.056 1.00 0.00 O ATOM 1555 CB PRO A 101 -8.119 -18.658 -5.831 1.00 0.00 C ATOM 1556 CG PRO A 101 -9.306 -18.055 -6.564 1.00 0.00 C ATOM 1557 CD PRO A 101 -8.850 -16.751 -7.197 1.00 0.00 C ATOM 0 HA PRO A 101 -6.204 -17.715 -5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.030 -19.724 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.233 -18.555 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.672 -18.742 -7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.130 -17.876 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.036 -16.746 -8.271 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.384 -15.899 -6.777 1.00 0.00 H new ATOM 1565 N SER A 102 -4.792 -18.379 -7.398 1.00 0.00 N ATOM 1566 CA SER A 102 -3.895 -19.047 -8.325 1.00 0.00 C ATOM 1567 C SER A 102 -2.598 -19.433 -7.612 1.00 0.00 C ATOM 1568 O SER A 102 -2.092 -18.677 -6.785 1.00 0.00 O ATOM 1569 CB SER A 102 -3.592 -18.160 -9.535 1.00 0.00 C ATOM 1570 OG SER A 102 -2.921 -16.960 -9.162 1.00 0.00 O ATOM 0 H SER A 102 -4.349 -17.673 -6.810 1.00 0.00 H new ATOM 0 HA SER A 102 -4.387 -19.951 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.978 -18.713 -10.245 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.523 -17.912 -10.045 1.00 0.00 H new ATOM 0 HG SER A 102 -2.744 -16.422 -9.962 1.00 0.00 H new ATOM 1576 N SER A 103 -2.098 -20.610 -7.959 1.00 0.00 N ATOM 1577 CA SER A 103 -0.869 -21.106 -7.363 1.00 0.00 C ATOM 1578 C SER A 103 -0.378 -22.339 -8.124 1.00 0.00 C ATOM 1579 O SER A 103 -1.142 -22.966 -8.855 1.00 0.00 O ATOM 1580 CB SER A 103 -1.071 -21.441 -5.883 1.00 0.00 C ATOM 1581 OG SER A 103 -0.911 -20.296 -5.050 1.00 0.00 O ATOM 0 H SER A 103 -2.522 -21.234 -8.645 1.00 0.00 H new ATOM 0 HA SER A 103 -0.115 -20.322 -7.431 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.068 -21.858 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.358 -22.209 -5.584 1.00 0.00 H new ATOM 0 HG SER A 103 -1.512 -19.584 -5.354 1.00 0.00 H new ATOM 1587 N GLY A 104 0.895 -22.649 -7.925 1.00 0.00 N ATOM 1588 CA GLY A 104 1.497 -23.796 -8.584 1.00 0.00 C ATOM 1589 C GLY A 104 1.163 -23.808 -10.077 1.00 0.00 C ATOM 1590 O GLY A 104 0.694 -22.809 -10.620 1.00 0.00 O ATOM 0 H GLY A 104 1.526 -22.126 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.578 -23.771 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.140 -24.715 -8.120 1.00 0.00 H new TER 1594 GLY A 104