USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 829 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 75 CYS SG : rot 180:sc=-0.000943 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0807 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 3 SER OG : rot -60:sc= 0.593 USER MOD Single : A 5 SER OG : rot 10:sc= 0.596 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.9) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -83:sc= 0.29 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00673) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.119 (180deg=-0.908) USER MOD Single : A 39 SER OG : rot 73:sc= 1.02 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -170:sc= -1.23 (180deg=-1.95!) USER MOD Single : A 45 THR OG1 : rot -70:sc= -0.49 USER MOD Single : A 47 SER OG : rot 180:sc= -0.324 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0935) USER MOD Single : A 53 MET CE :methyl 165:sc= -2.24! (180deg=-2.37) USER MOD Single : A 59 THR OG1 : rot -73:sc= 0.112 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -13:sc= 0.785 USER MOD Single : A 63 HIS : no HD1:sc= -0.942 X(o=-0.94,f=-1.1) USER MOD Single : A 66 HIS : no HD1:sc= -4.02! C(o=-4!,f=-7.5!) USER MOD Single : A 73 MET CE :methyl -135:sc= 0 (180deg=-0.981) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.951 K(o=-0.95,f=-2.1!) USER MOD Single : A 78 ASN : amide:sc= -4.51! C(o=-4.5!,f=-8.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.66) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= -1.3 (180deg=-1.9) USER MOD Single : A 90 THR OG1 : rot 123:sc= 1.35 USER MOD Single : A 92 TYR OH : rot -21:sc= -1.84! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00427 USER MOD Single : A 98 THR OG1 : rot -51:sc= 0.848 USER MOD Single : A 99 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 52:sc= 0.508 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.347 17.982 -0.409 1.00 0.00 N ATOM 2 CA GLY A 1 -15.212 16.735 -1.139 1.00 0.00 C ATOM 3 C GLY A 1 -13.968 16.702 -2.005 1.00 0.00 C ATOM 4 O GLY A 1 -13.259 17.701 -2.123 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.508 17.779 0.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.477 18.542 -0.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.153 18.520 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.181 15.905 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.091 16.587 -1.766 1.00 0.00 H new ATOM 8 N SER A 2 -13.702 15.550 -2.611 1.00 0.00 N ATOM 9 CA SER A 2 -12.532 15.389 -3.467 1.00 0.00 C ATOM 10 C SER A 2 -12.915 15.503 -4.939 1.00 0.00 C ATOM 11 O SER A 2 -12.153 16.026 -5.752 1.00 0.00 O ATOM 12 CB SER A 2 -11.865 14.037 -3.205 1.00 0.00 C ATOM 13 OG SER A 2 -12.816 13.070 -2.794 1.00 0.00 O ATOM 0 H SER A 2 -14.280 14.714 -2.525 1.00 0.00 H new ATOM 0 HA SER A 2 -11.827 16.186 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.362 13.695 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.100 14.148 -2.437 1.00 0.00 H new ATOM 0 HG SER A 2 -12.365 12.215 -2.635 1.00 0.00 H new ATOM 19 N SER A 3 -14.103 15.008 -5.275 1.00 0.00 N ATOM 20 CA SER A 3 -14.587 15.050 -6.649 1.00 0.00 C ATOM 21 C SER A 3 -13.456 14.767 -7.633 1.00 0.00 C ATOM 22 O SER A 3 -13.236 15.523 -8.578 1.00 0.00 O ATOM 23 CB SER A 3 -15.211 16.414 -6.951 1.00 0.00 C ATOM 24 OG SER A 3 -15.729 16.457 -8.269 1.00 0.00 O ATOM 0 H SER A 3 -14.747 14.574 -4.614 1.00 0.00 H new ATOM 0 HA SER A 3 -15.347 14.277 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.008 16.619 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.462 17.196 -6.826 1.00 0.00 H new ATOM 0 HG SER A 3 -15.005 16.298 -8.910 1.00 0.00 H new ATOM 30 N GLY A 4 -12.741 13.670 -7.403 1.00 0.00 N ATOM 31 CA GLY A 4 -11.640 13.305 -8.276 1.00 0.00 C ATOM 32 C GLY A 4 -10.848 12.125 -7.748 1.00 0.00 C ATOM 33 O GLY A 4 -11.171 10.973 -8.036 1.00 0.00 O ATOM 0 H GLY A 4 -12.904 13.027 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.029 13.064 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.975 14.161 -8.395 1.00 0.00 H new ATOM 37 N SER A 5 -9.806 12.413 -6.974 1.00 0.00 N ATOM 38 CA SER A 5 -8.962 11.367 -6.409 1.00 0.00 C ATOM 39 C SER A 5 -8.250 11.862 -5.154 1.00 0.00 C ATOM 40 O SER A 5 -7.942 13.047 -5.028 1.00 0.00 O ATOM 41 CB SER A 5 -7.934 10.899 -7.441 1.00 0.00 C ATOM 42 OG SER A 5 -8.548 10.129 -8.460 1.00 0.00 O ATOM 0 H SER A 5 -9.526 13.362 -6.724 1.00 0.00 H new ATOM 0 HA SER A 5 -9.601 10.527 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.438 11.763 -7.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.163 10.307 -6.948 1.00 0.00 H new ATOM 0 HG SER A 5 -9.522 10.187 -8.372 1.00 0.00 H new ATOM 48 N SER A 6 -7.992 10.945 -4.227 1.00 0.00 N ATOM 49 CA SER A 6 -7.319 11.288 -2.979 1.00 0.00 C ATOM 50 C SER A 6 -6.932 10.030 -2.208 1.00 0.00 C ATOM 51 O SER A 6 -7.610 9.007 -2.285 1.00 0.00 O ATOM 52 CB SER A 6 -8.221 12.172 -2.116 1.00 0.00 C ATOM 53 OG SER A 6 -9.434 11.509 -1.800 1.00 0.00 O ATOM 0 H SER A 6 -8.239 9.959 -4.316 1.00 0.00 H new ATOM 0 HA SER A 6 -6.410 11.838 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.700 12.441 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.437 13.101 -2.644 1.00 0.00 H new ATOM 0 HG SER A 6 -9.992 12.094 -1.246 1.00 0.00 H new ATOM 59 N GLY A 7 -5.834 10.115 -1.463 1.00 0.00 N ATOM 60 CA GLY A 7 -5.373 8.978 -0.688 1.00 0.00 C ATOM 61 C GLY A 7 -4.401 8.107 -1.458 1.00 0.00 C ATOM 62 O GLY A 7 -4.812 7.255 -2.246 1.00 0.00 O ATOM 0 H GLY A 7 -5.255 10.951 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.893 9.334 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.231 8.378 -0.383 1.00 0.00 H new ATOM 66 N GLU A 8 -3.109 8.321 -1.232 1.00 0.00 N ATOM 67 CA GLU A 8 -2.076 7.549 -1.914 1.00 0.00 C ATOM 68 C GLU A 8 -2.412 6.061 -1.901 1.00 0.00 C ATOM 69 O GLU A 8 -3.055 5.552 -0.983 1.00 0.00 O ATOM 70 CB GLU A 8 -0.715 7.782 -1.254 1.00 0.00 C ATOM 71 CG GLU A 8 -0.213 9.211 -1.383 1.00 0.00 C ATOM 72 CD GLU A 8 -0.399 9.771 -2.780 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.395 9.408 -3.674 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.336 10.571 -2.979 1.00 0.00 O ATOM 0 H GLU A 8 -2.752 9.022 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.031 7.885 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.784 7.524 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.016 7.107 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.741 9.843 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.844 9.246 -1.119 1.00 0.00 H new ATOM 81 N PRO A 9 -1.967 5.345 -2.944 1.00 0.00 N ATOM 82 CA PRO A 9 -2.207 3.905 -3.077 1.00 0.00 C ATOM 83 C PRO A 9 -1.421 3.090 -2.057 1.00 0.00 C ATOM 84 O PRO A 9 -1.914 2.089 -1.537 1.00 0.00 O ATOM 85 CB PRO A 9 -1.725 3.595 -4.497 1.00 0.00 C ATOM 86 CG PRO A 9 -0.722 4.655 -4.796 1.00 0.00 C ATOM 87 CD PRO A 9 -1.193 5.887 -4.075 1.00 0.00 C ATOM 0 HA PRO A 9 -3.251 3.648 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.281 2.601 -4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.550 3.618 -5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.271 4.360 -4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.652 4.834 -5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.357 6.497 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.808 6.518 -4.717 1.00 0.00 H new ATOM 95 N GLU A 10 -0.197 3.524 -1.775 1.00 0.00 N ATOM 96 CA GLU A 10 0.657 2.833 -0.817 1.00 0.00 C ATOM 97 C GLU A 10 -0.095 2.558 0.482 1.00 0.00 C ATOM 98 O GLU A 10 0.284 1.679 1.256 1.00 0.00 O ATOM 99 CB GLU A 10 1.912 3.659 -0.528 1.00 0.00 C ATOM 100 CG GLU A 10 2.888 3.710 -1.691 1.00 0.00 C ATOM 101 CD GLU A 10 2.545 4.795 -2.694 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.981 5.829 -2.278 1.00 0.00 O ATOM 103 OE2 GLU A 10 2.840 4.610 -3.893 1.00 0.00 O ATOM 0 H GLU A 10 0.225 4.351 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 10 0.953 1.880 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.616 4.675 -0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.419 3.242 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.895 3.879 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.897 2.744 -2.195 1.00 0.00 H new ATOM 110 N GLN A 11 -1.161 3.318 0.714 1.00 0.00 N ATOM 111 CA GLN A 11 -1.965 3.157 1.920 1.00 0.00 C ATOM 112 C GLN A 11 -3.040 2.095 1.720 1.00 0.00 C ATOM 113 O GLN A 11 -2.984 1.019 2.316 1.00 0.00 O ATOM 114 CB GLN A 11 -2.611 4.488 2.308 1.00 0.00 C ATOM 115 CG GLN A 11 -1.628 5.501 2.872 1.00 0.00 C ATOM 116 CD GLN A 11 -2.284 6.825 3.212 1.00 0.00 C ATOM 117 OE1 GLN A 11 -3.469 7.029 2.949 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.514 7.733 3.800 1.00 0.00 N ATOM 0 H GLN A 11 -1.487 4.050 0.084 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.306 2.832 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.097 4.915 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.391 4.302 3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.163 5.090 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.831 5.670 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.536 7.521 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.900 8.643 4.052 1.00 0.00 H new ATOM 127 N VAL A 12 -4.021 2.404 0.877 1.00 0.00 N ATOM 128 CA VAL A 12 -5.110 1.476 0.597 1.00 0.00 C ATOM 129 C VAL A 12 -4.596 0.045 0.482 1.00 0.00 C ATOM 130 O VAL A 12 -5.260 -0.900 0.910 1.00 0.00 O ATOM 131 CB VAL A 12 -5.847 1.851 -0.702 1.00 0.00 C ATOM 132 CG1 VAL A 12 -4.991 1.523 -1.916 1.00 0.00 C ATOM 133 CG2 VAL A 12 -7.189 1.138 -0.778 1.00 0.00 C ATOM 0 H VAL A 12 -4.083 3.290 0.376 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.806 1.543 1.433 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.031 2.925 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.529 1.795 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.058 2.083 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.773 0.455 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.696 1.415 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.030 0.060 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.804 1.428 0.074 1.00 0.00 H new ATOM 143 N ILE A 13 -3.410 -0.107 -0.097 1.00 0.00 N ATOM 144 CA ILE A 13 -2.807 -1.423 -0.267 1.00 0.00 C ATOM 145 C ILE A 13 -2.673 -2.143 1.071 1.00 0.00 C ATOM 146 O ILE A 13 -3.232 -3.223 1.265 1.00 0.00 O ATOM 147 CB ILE A 13 -1.418 -1.325 -0.925 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.552 -0.887 -2.385 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.692 -2.659 -0.832 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.314 -1.871 -3.244 1.00 0.00 C ATOM 0 H ILE A 13 -2.848 0.665 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.470 -1.992 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.832 -0.576 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.055 0.080 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.557 -0.745 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.288 -2.573 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.570 -2.934 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.273 -3.426 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.370 -1.495 -4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.801 -2.833 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.322 -1.996 -2.848 1.00 0.00 H new ATOM 162 N ARG A 14 -1.930 -1.537 1.991 1.00 0.00 N ATOM 163 CA ARG A 14 -1.723 -2.120 3.311 1.00 0.00 C ATOM 164 C ARG A 14 -3.052 -2.302 4.039 1.00 0.00 C ATOM 165 O ARG A 14 -3.291 -3.332 4.669 1.00 0.00 O ATOM 166 CB ARG A 14 -0.791 -1.236 4.142 1.00 0.00 C ATOM 167 CG ARG A 14 0.683 -1.455 3.843 1.00 0.00 C ATOM 168 CD ARG A 14 1.150 -2.823 4.317 1.00 0.00 C ATOM 169 NE ARG A 14 0.990 -2.986 5.759 1.00 0.00 N ATOM 170 CZ ARG A 14 1.866 -2.537 6.651 1.00 0.00 C ATOM 171 NH1 ARG A 14 2.957 -1.900 6.251 1.00 0.00 N ATOM 172 NH2 ARG A 14 1.650 -2.725 7.947 1.00 0.00 N ATOM 0 H ARG A 14 -1.461 -0.643 1.847 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.263 -3.099 3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.038 -0.190 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.971 -1.427 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.856 -1.362 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.273 -0.679 4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.585 -3.598 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.198 -2.961 4.051 1.00 0.00 H new ATOM 0 HE ARG A 14 0.160 -3.471 6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.126 -1.753 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.628 -1.556 6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.811 -3.214 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.323 -2.380 8.631 1.00 0.00 H new ATOM 186 N LYS A 15 -3.912 -1.293 3.950 1.00 0.00 N ATOM 187 CA LYS A 15 -5.217 -1.340 4.599 1.00 0.00 C ATOM 188 C LYS A 15 -5.908 -2.675 4.335 1.00 0.00 C ATOM 189 O LYS A 15 -6.715 -3.137 5.142 1.00 0.00 O ATOM 190 CB LYS A 15 -6.098 -0.191 4.103 1.00 0.00 C ATOM 191 CG LYS A 15 -7.543 -0.292 4.560 1.00 0.00 C ATOM 192 CD LYS A 15 -8.484 0.402 3.590 1.00 0.00 C ATOM 193 CE LYS A 15 -8.686 1.864 3.959 1.00 0.00 C ATOM 194 NZ LYS A 15 -8.948 2.708 2.760 1.00 0.00 N ATOM 0 H LYS A 15 -3.729 -0.432 3.434 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.065 -1.235 5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.680 0.753 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.071 -0.168 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.824 -1.341 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.645 0.154 5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.082 0.333 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.446 -0.110 3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.521 1.951 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.801 2.233 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.080 3.697 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.140 2.645 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.807 2.372 2.280 1.00 0.00 H new ATOM 208 N TYR A 16 -5.585 -3.289 3.202 1.00 0.00 N ATOM 209 CA TYR A 16 -6.176 -4.569 2.832 1.00 0.00 C ATOM 210 C TYR A 16 -5.155 -5.696 2.958 1.00 0.00 C ATOM 211 O TYR A 16 -5.513 -6.853 3.183 1.00 0.00 O ATOM 212 CB TYR A 16 -6.715 -4.512 1.401 1.00 0.00 C ATOM 213 CG TYR A 16 -7.748 -3.428 1.187 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.671 -3.115 2.176 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.799 -2.717 -0.006 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.617 -2.127 1.984 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.740 -1.726 -0.206 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.647 -1.435 0.791 1.00 0.00 C ATOM 219 OH TYR A 16 -10.586 -0.448 0.596 1.00 0.00 O ATOM 0 H TYR A 16 -4.917 -2.921 2.524 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.001 -4.771 3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.884 -4.351 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.155 -5.477 1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.649 -3.654 3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.091 -2.943 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.329 -1.898 2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.765 -1.182 -1.139 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.470 -0.058 -0.296 1.00 0.00 H new ATOM 229 N THR A 17 -3.880 -5.351 2.811 1.00 0.00 N ATOM 230 CA THR A 17 -2.806 -6.331 2.907 1.00 0.00 C ATOM 231 C THR A 17 -1.978 -6.118 4.169 1.00 0.00 C ATOM 232 O THR A 17 -1.568 -4.997 4.470 1.00 0.00 O ATOM 233 CB THR A 17 -1.877 -6.269 1.680 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.236 -4.990 1.615 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.657 -6.517 0.397 1.00 0.00 C ATOM 0 H THR A 17 -3.566 -4.399 2.625 1.00 0.00 H new ATOM 0 HA THR A 17 -3.277 -7.313 2.947 1.00 0.00 H new ATOM 0 HB THR A 17 -1.122 -7.048 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.833 -4.347 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.980 -6.468 -0.456 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.119 -7.503 0.437 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.431 -5.757 0.289 1.00 0.00 H new ATOM 243 N GLU A 18 -1.735 -7.199 4.902 1.00 0.00 N ATOM 244 CA GLU A 18 -0.955 -7.129 6.132 1.00 0.00 C ATOM 245 C GLU A 18 0.436 -7.722 5.929 1.00 0.00 C ATOM 246 O GLU A 18 0.581 -8.922 5.696 1.00 0.00 O ATOM 247 CB GLU A 18 -1.676 -7.865 7.262 1.00 0.00 C ATOM 248 CG GLU A 18 -1.223 -7.443 8.650 1.00 0.00 C ATOM 249 CD GLU A 18 -1.402 -8.541 9.681 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.535 -9.049 9.817 1.00 0.00 O ATOM 251 OE2 GLU A 18 -0.409 -8.892 10.352 1.00 0.00 O ATOM 0 H GLU A 18 -2.067 -8.134 4.666 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.847 -6.079 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.748 -7.692 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.515 -8.937 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.173 -7.152 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.787 -6.563 8.960 1.00 0.00 H new ATOM 258 N GLU A 19 1.455 -6.873 6.019 1.00 0.00 N ATOM 259 CA GLU A 19 2.833 -7.314 5.844 1.00 0.00 C ATOM 260 C GLU A 19 3.178 -8.427 6.828 1.00 0.00 C ATOM 261 O GLU A 19 2.775 -8.390 7.992 1.00 0.00 O ATOM 262 CB GLU A 19 3.795 -6.138 6.029 1.00 0.00 C ATOM 263 CG GLU A 19 5.260 -6.530 5.933 1.00 0.00 C ATOM 264 CD GLU A 19 6.165 -5.600 6.718 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.768 -5.181 7.825 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.270 -5.291 6.225 1.00 0.00 O ATOM 0 H GLU A 19 1.352 -5.877 6.212 1.00 0.00 H new ATOM 0 HA GLU A 19 2.937 -7.704 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.580 -5.381 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.613 -5.680 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.385 -7.548 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.565 -6.530 4.886 1.00 0.00 H new ATOM 273 N LEU A 20 3.925 -9.418 6.354 1.00 0.00 N ATOM 274 CA LEU A 20 4.325 -10.544 7.192 1.00 0.00 C ATOM 275 C LEU A 20 5.808 -10.465 7.539 1.00 0.00 C ATOM 276 O LEU A 20 6.633 -10.089 6.706 1.00 0.00 O ATOM 277 CB LEU A 20 4.025 -11.865 6.481 1.00 0.00 C ATOM 278 CG LEU A 20 2.629 -11.997 5.871 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.504 -13.304 5.104 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.563 -11.907 6.953 1.00 0.00 C ATOM 0 H LEU A 20 4.266 -9.465 5.394 1.00 0.00 H new ATOM 0 HA LEU A 20 3.752 -10.498 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.760 -12.003 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.167 -12.678 7.193 1.00 0.00 H new ATOM 0 HG LEU A 20 2.479 -11.174 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.504 -13.381 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.243 -13.328 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.675 -14.141 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.576 -12.003 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.710 -12.709 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.638 -10.944 7.459 1.00 0.00 H new ATOM 292 N LYS A 21 6.140 -10.824 8.774 1.00 0.00 N ATOM 293 CA LYS A 21 7.524 -10.798 9.233 1.00 0.00 C ATOM 294 C LYS A 21 8.456 -11.396 8.184 1.00 0.00 C ATOM 295 O LYS A 21 9.589 -10.944 8.014 1.00 0.00 O ATOM 296 CB LYS A 21 7.662 -11.565 10.550 1.00 0.00 C ATOM 297 CG LYS A 21 8.904 -11.195 11.342 1.00 0.00 C ATOM 298 CD LYS A 21 10.112 -12.000 10.892 1.00 0.00 C ATOM 299 CE LYS A 21 10.157 -13.363 11.566 1.00 0.00 C ATOM 300 NZ LYS A 21 10.900 -14.362 10.749 1.00 0.00 N ATOM 0 H LYS A 21 5.469 -11.137 9.476 1.00 0.00 H new ATOM 0 HA LYS A 21 7.807 -9.758 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.781 -11.378 11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.682 -12.634 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.109 -10.131 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.725 -11.368 12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.082 -12.129 9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.024 -11.449 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.630 -13.269 12.543 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.140 -13.717 11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.937 -15.268 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.415 -14.496 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.868 -14.021 10.579 1.00 0.00 H new ATOM 314 N VAL A 22 7.972 -12.415 7.481 1.00 0.00 N ATOM 315 CA VAL A 22 8.761 -13.074 6.447 1.00 0.00 C ATOM 316 C VAL A 22 7.863 -13.681 5.374 1.00 0.00 C ATOM 317 O VAL A 22 6.921 -14.411 5.678 1.00 0.00 O ATOM 318 CB VAL A 22 9.652 -14.181 7.041 1.00 0.00 C ATOM 319 CG1 VAL A 22 8.800 -15.270 7.675 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.563 -14.762 5.970 1.00 0.00 C ATOM 0 H VAL A 22 7.037 -12.802 7.609 1.00 0.00 H new ATOM 0 HA VAL A 22 9.395 -12.310 5.997 1.00 0.00 H new ATOM 0 HB VAL A 22 10.276 -13.742 7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.447 -16.043 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.193 -14.840 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.149 -15.709 6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.186 -15.543 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.958 -15.186 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.199 -13.974 5.566 1.00 0.00 H new ATOM 330 N ALA A 23 8.162 -13.372 4.116 1.00 0.00 N ATOM 331 CA ALA A 23 7.384 -13.888 2.997 1.00 0.00 C ATOM 332 C ALA A 23 7.010 -15.350 3.217 1.00 0.00 C ATOM 333 O ALA A 23 7.837 -16.176 3.603 1.00 0.00 O ATOM 334 CB ALA A 23 8.159 -13.729 1.698 1.00 0.00 C ATOM 0 H ALA A 23 8.938 -12.767 3.847 1.00 0.00 H new ATOM 0 HA ALA A 23 6.462 -13.310 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.566 -14.119 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.371 -12.673 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.097 -14.281 1.764 1.00 0.00 H new ATOM 340 N PRO A 24 5.734 -15.679 2.966 1.00 0.00 N ATOM 341 CA PRO A 24 5.222 -17.043 3.130 1.00 0.00 C ATOM 342 C PRO A 24 5.777 -18.001 2.082 1.00 0.00 C ATOM 343 O PRO A 24 6.753 -17.690 1.399 1.00 0.00 O ATOM 344 CB PRO A 24 3.710 -16.877 2.955 1.00 0.00 C ATOM 345 CG PRO A 24 3.558 -15.653 2.119 1.00 0.00 C ATOM 346 CD PRO A 24 4.694 -14.746 2.503 1.00 0.00 C ATOM 0 HA PRO A 24 5.510 -17.474 4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.270 -17.747 2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.210 -16.764 3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.596 -15.898 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.597 -15.173 2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.036 -14.150 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.403 -14.047 3.287 1.00 0.00 H new ATOM 354 N GLU A 25 5.150 -19.167 1.960 1.00 0.00 N ATOM 355 CA GLU A 25 5.583 -20.170 0.995 1.00 0.00 C ATOM 356 C GLU A 25 4.660 -20.191 -0.220 1.00 0.00 C ATOM 357 O GLU A 25 4.460 -21.233 -0.841 1.00 0.00 O ATOM 358 CB GLU A 25 5.620 -21.554 1.646 1.00 0.00 C ATOM 359 CG GLU A 25 6.928 -21.859 2.355 1.00 0.00 C ATOM 360 CD GLU A 25 7.059 -23.322 2.734 1.00 0.00 C ATOM 361 OE1 GLU A 25 6.122 -23.857 3.363 1.00 0.00 O ATOM 362 OE2 GLU A 25 8.097 -23.931 2.402 1.00 0.00 O ATOM 0 H GLU A 25 4.341 -19.440 2.518 1.00 0.00 H new ATOM 0 HA GLU A 25 6.587 -19.907 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.802 -21.631 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.446 -22.311 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.761 -21.579 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.001 -21.247 3.254 1.00 0.00 H new ATOM 369 N GLU A 26 4.101 -19.031 -0.551 1.00 0.00 N ATOM 370 CA GLU A 26 3.197 -18.917 -1.690 1.00 0.00 C ATOM 371 C GLU A 26 3.936 -18.397 -2.920 1.00 0.00 C ATOM 372 O GLU A 26 5.123 -18.077 -2.855 1.00 0.00 O ATOM 373 CB GLU A 26 2.029 -17.988 -1.352 1.00 0.00 C ATOM 374 CG GLU A 26 0.841 -18.705 -0.733 1.00 0.00 C ATOM 375 CD GLU A 26 -0.475 -18.009 -1.021 1.00 0.00 C ATOM 376 OE1 GLU A 26 -0.618 -17.447 -2.128 1.00 0.00 O ATOM 377 OE2 GLU A 26 -1.361 -18.025 -0.142 1.00 0.00 O ATOM 0 H GLU A 26 4.258 -18.158 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 26 2.808 -19.910 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.376 -17.217 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.704 -17.481 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.799 -19.726 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.984 -18.772 0.346 1.00 0.00 H new ATOM 384 N ASP A 27 3.225 -18.316 -4.039 1.00 0.00 N ATOM 385 CA ASP A 27 3.812 -17.834 -5.284 1.00 0.00 C ATOM 386 C ASP A 27 2.969 -16.713 -5.884 1.00 0.00 C ATOM 387 O ASP A 27 1.749 -16.832 -5.999 1.00 0.00 O ATOM 388 CB ASP A 27 3.944 -18.981 -6.287 1.00 0.00 C ATOM 389 CG ASP A 27 4.152 -20.321 -5.610 1.00 0.00 C ATOM 390 OD1 ASP A 27 3.202 -20.816 -4.969 1.00 0.00 O ATOM 391 OD2 ASP A 27 5.266 -20.876 -5.720 1.00 0.00 O ATOM 0 H ASP A 27 2.242 -18.578 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 27 4.803 -17.440 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.047 -19.025 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.782 -18.781 -6.955 1.00 0.00 H new ATOM 396 N CYS A 28 3.628 -15.623 -6.263 1.00 0.00 N ATOM 397 CA CYS A 28 2.941 -14.479 -6.850 1.00 0.00 C ATOM 398 C CYS A 28 2.646 -14.720 -8.327 1.00 0.00 C ATOM 399 O CYS A 28 3.510 -15.174 -9.077 1.00 0.00 O ATOM 400 CB CYS A 28 3.784 -13.212 -6.687 1.00 0.00 C ATOM 401 SG CYS A 28 3.114 -11.757 -7.553 1.00 0.00 S ATOM 0 H CYS A 28 4.638 -15.508 -6.174 1.00 0.00 H new ATOM 0 HA CYS A 28 1.995 -14.348 -6.326 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.872 -12.981 -5.625 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.791 -13.409 -7.055 1.00 0.00 H new ATOM 406 N ILE A 29 1.420 -14.412 -8.738 1.00 0.00 N ATOM 407 CA ILE A 29 1.012 -14.594 -10.126 1.00 0.00 C ATOM 408 C ILE A 29 1.187 -13.306 -10.923 1.00 0.00 C ATOM 409 O ILE A 29 1.331 -13.337 -12.146 1.00 0.00 O ATOM 410 CB ILE A 29 -0.456 -15.051 -10.225 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.373 -14.051 -9.519 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.619 -16.441 -9.629 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.812 -14.121 -9.980 1.00 0.00 C ATOM 0 H ILE A 29 0.693 -14.036 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 29 1.654 -15.368 -10.546 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.738 -15.093 -11.277 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.335 -14.231 -8.445 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.995 -13.043 -9.687 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.661 -16.750 -9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.010 -17.146 -10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.322 -16.424 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.404 -13.384 -9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.862 -13.911 -11.048 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.208 -15.118 -9.787 1.00 0.00 H new ATOM 425 N ILE A 30 1.175 -12.177 -10.223 1.00 0.00 N ATOM 426 CA ILE A 30 1.336 -10.879 -10.866 1.00 0.00 C ATOM 427 C ILE A 30 2.665 -10.794 -11.609 1.00 0.00 C ATOM 428 O ILE A 30 2.735 -10.265 -12.719 1.00 0.00 O ATOM 429 CB ILE A 30 1.259 -9.731 -9.843 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.106 -9.726 -9.151 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.518 -8.395 -10.525 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.171 -8.809 -7.950 1.00 0.00 C ATOM 0 H ILE A 30 1.056 -12.135 -9.211 1.00 0.00 H new ATOM 0 HA ILE A 30 0.517 -10.776 -11.578 1.00 0.00 H new ATOM 0 HB ILE A 30 2.028 -9.886 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.868 -9.424 -9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.349 -10.741 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.460 -7.593 -9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.510 -8.403 -10.976 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.769 -8.231 -11.300 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.167 -8.856 -7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.567 -9.123 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.040 -7.786 -8.261 1.00 0.00 H new ATOM 444 N CYS A 31 3.717 -11.320 -10.991 1.00 0.00 N ATOM 445 CA CYS A 31 5.044 -11.306 -11.593 1.00 0.00 C ATOM 446 C CYS A 31 5.531 -12.725 -11.870 1.00 0.00 C ATOM 447 O CYS A 31 6.564 -12.924 -12.509 1.00 0.00 O ATOM 448 CB CYS A 31 6.035 -10.584 -10.677 1.00 0.00 C ATOM 449 SG CYS A 31 6.332 -11.429 -9.091 1.00 0.00 S ATOM 0 H CYS A 31 3.676 -11.762 -10.073 1.00 0.00 H new ATOM 0 HA CYS A 31 4.980 -10.772 -12.541 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.984 -10.474 -11.201 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.663 -9.579 -10.477 1.00 0.00 H new ATOM 454 N MET A 32 4.780 -13.708 -11.384 1.00 0.00 N ATOM 455 CA MET A 32 5.134 -15.109 -11.581 1.00 0.00 C ATOM 456 C MET A 32 6.527 -15.400 -11.030 1.00 0.00 C ATOM 457 O MET A 32 7.336 -16.058 -11.682 1.00 0.00 O ATOM 458 CB MET A 32 5.075 -15.469 -13.066 1.00 0.00 C ATOM 459 CG MET A 32 3.665 -15.720 -13.575 1.00 0.00 C ATOM 460 SD MET A 32 3.053 -17.360 -13.144 1.00 0.00 S ATOM 461 CE MET A 32 1.393 -17.289 -13.814 1.00 0.00 C ATOM 0 H MET A 32 3.923 -13.560 -10.851 1.00 0.00 H new ATOM 0 HA MET A 32 4.412 -15.720 -11.038 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.523 -14.662 -13.645 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.679 -16.359 -13.240 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.994 -14.966 -13.162 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.648 -15.603 -14.659 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.884 -18.234 -13.626 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.842 -16.479 -13.336 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.442 -17.111 -14.888 1.00 0.00 H new ATOM 471 N GLU A 33 6.798 -14.904 -9.826 1.00 0.00 N ATOM 472 CA GLU A 33 8.093 -15.111 -9.190 1.00 0.00 C ATOM 473 C GLU A 33 7.926 -15.433 -7.708 1.00 0.00 C ATOM 474 O GLU A 33 7.188 -14.755 -6.993 1.00 0.00 O ATOM 475 CB GLU A 33 8.973 -13.870 -9.358 1.00 0.00 C ATOM 476 CG GLU A 33 9.375 -13.600 -10.798 1.00 0.00 C ATOM 477 CD GLU A 33 10.618 -14.364 -11.210 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.827 -15.480 -10.691 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.383 -13.845 -12.050 1.00 0.00 O ATOM 0 H GLU A 33 6.138 -14.357 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 33 8.576 -15.959 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.441 -13.002 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.873 -13.989 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.551 -13.871 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.550 -12.532 -10.928 1.00 0.00 H new ATOM 486 N LYS A 34 8.617 -16.472 -7.252 1.00 0.00 N ATOM 487 CA LYS A 34 8.548 -16.885 -5.856 1.00 0.00 C ATOM 488 C LYS A 34 8.694 -15.685 -4.925 1.00 0.00 C ATOM 489 O LYS A 34 9.658 -14.924 -5.024 1.00 0.00 O ATOM 490 CB LYS A 34 9.638 -17.915 -5.552 1.00 0.00 C ATOM 491 CG LYS A 34 9.222 -19.346 -5.848 1.00 0.00 C ATOM 492 CD LYS A 34 10.420 -20.216 -6.190 1.00 0.00 C ATOM 493 CE LYS A 34 10.739 -20.165 -7.677 1.00 0.00 C ATOM 494 NZ LYS A 34 11.694 -19.070 -8.003 1.00 0.00 N ATOM 0 H LYS A 34 9.232 -17.044 -7.830 1.00 0.00 H new ATOM 0 HA LYS A 34 7.571 -17.338 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.526 -17.675 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.917 -17.837 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.704 -19.762 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.515 -19.356 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.287 -19.884 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.219 -21.246 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.161 -21.120 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.817 -20.023 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.206 -19.305 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.171 -18.181 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.373 -18.958 -7.224 1.00 0.00 H new ATOM 508 N LEU A 35 7.734 -15.522 -4.022 1.00 0.00 N ATOM 509 CA LEU A 35 7.758 -14.415 -3.072 1.00 0.00 C ATOM 510 C LEU A 35 9.127 -14.293 -2.412 1.00 0.00 C ATOM 511 O LEU A 35 9.524 -13.212 -1.978 1.00 0.00 O ATOM 512 CB LEU A 35 6.680 -14.611 -2.004 1.00 0.00 C ATOM 513 CG LEU A 35 5.264 -14.874 -2.520 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.363 -15.343 -1.389 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.695 -13.625 -3.175 1.00 0.00 C ATOM 0 H LEU A 35 6.929 -16.142 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 35 7.556 -13.494 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.974 -15.446 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.656 -13.723 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 35 5.312 -15.663 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.360 -15.525 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.762 -16.265 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.321 -14.576 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.687 -13.830 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.661 -12.815 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.328 -13.333 -4.013 1.00 0.00 H new ATOM 527 N ALA A 36 9.846 -15.408 -2.341 1.00 0.00 N ATOM 528 CA ALA A 36 11.173 -15.425 -1.738 1.00 0.00 C ATOM 529 C ALA A 36 12.092 -14.409 -2.406 1.00 0.00 C ATOM 530 O ALA A 36 12.909 -13.766 -1.745 1.00 0.00 O ATOM 531 CB ALA A 36 11.774 -16.820 -1.824 1.00 0.00 C ATOM 0 H ALA A 36 9.532 -16.312 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 36 11.072 -15.149 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.765 -16.818 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.134 -17.525 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.855 -17.118 -2.869 1.00 0.00 H new ATOM 537 N VAL A 37 11.955 -14.267 -3.721 1.00 0.00 N ATOM 538 CA VAL A 37 12.774 -13.328 -4.478 1.00 0.00 C ATOM 539 C VAL A 37 12.134 -11.945 -4.513 1.00 0.00 C ATOM 540 O VAL A 37 11.034 -11.746 -3.997 1.00 0.00 O ATOM 541 CB VAL A 37 12.996 -13.815 -5.922 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.774 -15.122 -5.932 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.664 -13.973 -6.641 1.00 0.00 C ATOM 0 H VAL A 37 11.284 -14.790 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 37 13.737 -13.267 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 37 13.584 -13.066 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.921 -15.450 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.744 -14.972 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.216 -15.882 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.839 -14.318 -7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.049 -14.701 -6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.148 -13.013 -6.666 1.00 0.00 H new ATOM 553 N ALA A 38 12.830 -10.992 -5.124 1.00 0.00 N ATOM 554 CA ALA A 38 12.328 -9.627 -5.228 1.00 0.00 C ATOM 555 C ALA A 38 11.213 -9.530 -6.263 1.00 0.00 C ATOM 556 O ALA A 38 11.118 -10.359 -7.168 1.00 0.00 O ATOM 557 CB ALA A 38 13.461 -8.674 -5.579 1.00 0.00 C ATOM 0 H ALA A 38 13.743 -11.140 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 38 11.915 -9.343 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.072 -7.658 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.224 -8.714 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.899 -8.966 -6.533 1.00 0.00 H new ATOM 563 N SER A 39 10.370 -8.512 -6.123 1.00 0.00 N ATOM 564 CA SER A 39 9.257 -8.309 -7.044 1.00 0.00 C ATOM 565 C SER A 39 9.764 -7.955 -8.439 1.00 0.00 C ATOM 566 O SER A 39 10.805 -7.317 -8.590 1.00 0.00 O ATOM 567 CB SER A 39 8.336 -7.202 -6.528 1.00 0.00 C ATOM 568 OG SER A 39 7.221 -7.026 -7.385 1.00 0.00 O ATOM 0 H SER A 39 10.436 -7.815 -5.381 1.00 0.00 H new ATOM 0 HA SER A 39 8.694 -9.241 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.992 -7.450 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.892 -6.268 -6.453 1.00 0.00 H new ATOM 0 HG SER A 39 6.603 -7.779 -7.276 1.00 0.00 H new ATOM 574 N GLY A 40 9.019 -8.374 -9.457 1.00 0.00 N ATOM 575 CA GLY A 40 9.408 -8.093 -10.827 1.00 0.00 C ATOM 576 C GLY A 40 9.176 -6.645 -11.209 1.00 0.00 C ATOM 577 O GLY A 40 9.917 -6.082 -12.016 1.00 0.00 O ATOM 0 H GLY A 40 8.153 -8.903 -9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.462 -8.336 -10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.845 -8.738 -11.501 1.00 0.00 H new ATOM 581 N TYR A 41 8.144 -6.040 -10.632 1.00 0.00 N ATOM 582 CA TYR A 41 7.814 -4.649 -10.920 1.00 0.00 C ATOM 583 C TYR A 41 8.779 -3.702 -10.213 1.00 0.00 C ATOM 584 O TYR A 41 8.735 -2.489 -10.414 1.00 0.00 O ATOM 585 CB TYR A 41 6.378 -4.345 -10.491 1.00 0.00 C ATOM 586 CG TYR A 41 5.333 -5.009 -11.360 1.00 0.00 C ATOM 587 CD1 TYR A 41 5.359 -6.379 -11.588 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.319 -4.265 -11.951 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.407 -6.989 -12.381 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.362 -4.867 -12.745 1.00 0.00 C ATOM 591 CZ TYR A 41 3.411 -6.229 -12.957 1.00 0.00 C ATOM 592 OH TYR A 41 2.460 -6.834 -13.747 1.00 0.00 O ATOM 0 H TYR A 41 7.521 -6.491 -9.962 1.00 0.00 H new ATOM 0 HA TYR A 41 7.906 -4.496 -11.995 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.240 -4.669 -9.459 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.223 -3.266 -10.510 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.137 -6.977 -11.137 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.278 -3.198 -11.787 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.442 -8.055 -12.549 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.580 -4.275 -13.197 1.00 0.00 H new ATOM 0 HH TYR A 41 1.830 -6.159 -14.075 1.00 0.00 H new ATOM 602 N SER A 42 9.652 -4.267 -9.384 1.00 0.00 N ATOM 603 CA SER A 42 10.626 -3.474 -8.644 1.00 0.00 C ATOM 604 C SER A 42 11.281 -2.435 -9.549 1.00 0.00 C ATOM 605 O SER A 42 11.813 -1.431 -9.076 1.00 0.00 O ATOM 606 CB SER A 42 11.696 -4.382 -8.034 1.00 0.00 C ATOM 607 OG SER A 42 12.739 -4.634 -8.959 1.00 0.00 O ATOM 0 H SER A 42 9.704 -5.270 -9.208 1.00 0.00 H new ATOM 0 HA SER A 42 10.101 -2.954 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.105 -3.916 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.244 -5.325 -7.725 1.00 0.00 H new ATOM 0 HG SER A 42 13.411 -5.215 -8.545 1.00 0.00 H new ATOM 613 N ASP A 43 11.238 -2.685 -10.853 1.00 0.00 N ATOM 614 CA ASP A 43 11.826 -1.772 -11.826 1.00 0.00 C ATOM 615 C ASP A 43 10.775 -0.812 -12.375 1.00 0.00 C ATOM 616 O ASP A 43 11.035 0.378 -12.546 1.00 0.00 O ATOM 617 CB ASP A 43 12.466 -2.556 -12.972 1.00 0.00 C ATOM 618 CG ASP A 43 13.281 -3.737 -12.482 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.166 -3.532 -11.624 1.00 0.00 O ATOM 620 OD2 ASP A 43 13.034 -4.866 -12.954 1.00 0.00 O ATOM 0 H ASP A 43 10.802 -3.512 -11.261 1.00 0.00 H new ATOM 0 HA ASP A 43 12.596 -1.189 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.686 -2.911 -13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.107 -1.891 -13.550 1.00 0.00 H new ATOM 625 N MET A 44 9.586 -1.339 -12.651 1.00 0.00 N ATOM 626 CA MET A 44 8.495 -0.529 -13.181 1.00 0.00 C ATOM 627 C MET A 44 7.752 0.184 -12.056 1.00 0.00 C ATOM 628 O MET A 44 6.729 0.830 -12.285 1.00 0.00 O ATOM 629 CB MET A 44 7.524 -1.402 -13.977 1.00 0.00 C ATOM 630 CG MET A 44 7.370 -2.807 -13.417 1.00 0.00 C ATOM 631 SD MET A 44 6.078 -3.749 -14.252 1.00 0.00 S ATOM 632 CE MET A 44 4.883 -2.459 -14.590 1.00 0.00 C ATOM 0 H MET A 44 9.354 -2.323 -12.516 1.00 0.00 H new ATOM 0 HA MET A 44 8.922 0.223 -13.844 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.547 -0.919 -13.997 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.869 -1.467 -15.009 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.318 -3.337 -13.509 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.141 -2.747 -12.353 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.954 -2.907 -14.942 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.691 -1.893 -13.678 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.276 -1.790 -15.356 1.00 0.00 H new ATOM 642 N THR A 45 8.272 0.062 -10.838 1.00 0.00 N ATOM 643 CA THR A 45 7.656 0.693 -9.678 1.00 0.00 C ATOM 644 C THR A 45 8.540 1.805 -9.123 1.00 0.00 C ATOM 645 O THR A 45 8.144 2.970 -9.096 1.00 0.00 O ATOM 646 CB THR A 45 7.379 -0.332 -8.562 1.00 0.00 C ATOM 647 OG1 THR A 45 8.607 -0.928 -8.128 1.00 0.00 O ATOM 648 CG2 THR A 45 6.427 -1.415 -9.046 1.00 0.00 C ATOM 0 H THR A 45 9.118 -0.468 -10.630 1.00 0.00 H new ATOM 0 HA THR A 45 6.710 1.118 -10.014 1.00 0.00 H new ATOM 0 HB THR A 45 6.914 0.191 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.952 -1.516 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.246 -2.127 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.483 -0.961 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.868 -1.934 -9.897 1.00 0.00 H new ATOM 656 N ASP A 46 9.738 1.437 -8.683 1.00 0.00 N ATOM 657 CA ASP A 46 10.679 2.405 -8.130 1.00 0.00 C ATOM 658 C ASP A 46 10.028 3.222 -7.019 1.00 0.00 C ATOM 659 O ASP A 46 10.165 4.445 -6.973 1.00 0.00 O ATOM 660 CB ASP A 46 11.193 3.335 -9.231 1.00 0.00 C ATOM 661 CG ASP A 46 12.484 4.029 -8.846 1.00 0.00 C ATOM 662 OD1 ASP A 46 12.661 4.331 -7.648 1.00 0.00 O ATOM 663 OD2 ASP A 46 13.318 4.271 -9.744 1.00 0.00 O ATOM 0 H ASP A 46 10.081 0.476 -8.698 1.00 0.00 H new ATOM 0 HA ASP A 46 11.520 1.856 -7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.351 2.760 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.433 4.084 -9.454 1.00 0.00 H new ATOM 668 N SER A 47 9.320 2.539 -6.126 1.00 0.00 N ATOM 669 CA SER A 47 8.644 3.202 -5.017 1.00 0.00 C ATOM 670 C SER A 47 9.615 3.469 -3.870 1.00 0.00 C ATOM 671 O SER A 47 10.785 3.092 -3.931 1.00 0.00 O ATOM 672 CB SER A 47 7.474 2.349 -4.522 1.00 0.00 C ATOM 673 OG SER A 47 6.829 2.960 -3.418 1.00 0.00 O ATOM 0 H SER A 47 9.199 1.526 -6.149 1.00 0.00 H new ATOM 0 HA SER A 47 8.261 4.158 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.758 2.204 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.835 1.362 -4.235 1.00 0.00 H new ATOM 0 HG SER A 47 6.084 2.396 -3.121 1.00 0.00 H new ATOM 679 N LYS A 48 9.119 4.121 -2.824 1.00 0.00 N ATOM 680 CA LYS A 48 9.939 4.439 -1.661 1.00 0.00 C ATOM 681 C LYS A 48 9.361 3.809 -0.399 1.00 0.00 C ATOM 682 O LYS A 48 10.098 3.313 0.452 1.00 0.00 O ATOM 683 CB LYS A 48 10.045 5.955 -1.485 1.00 0.00 C ATOM 684 CG LYS A 48 11.347 6.404 -0.844 1.00 0.00 C ATOM 685 CD LYS A 48 11.822 7.730 -1.415 1.00 0.00 C ATOM 686 CE LYS A 48 12.786 7.525 -2.574 1.00 0.00 C ATOM 687 NZ LYS A 48 12.081 7.507 -3.885 1.00 0.00 N ATOM 0 H LYS A 48 8.152 4.440 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 48 10.935 4.028 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.946 6.433 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.211 6.301 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.209 6.499 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.112 5.644 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.963 8.310 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.311 8.310 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.530 8.322 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.323 6.587 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.780 7.519 -4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.502 6.646 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.468 8.344 -3.961 1.00 0.00 H new ATOM 701 N ALA A 49 8.037 3.832 -0.285 1.00 0.00 N ATOM 702 CA ALA A 49 7.359 3.259 0.872 1.00 0.00 C ATOM 703 C ALA A 49 7.364 1.736 0.813 1.00 0.00 C ATOM 704 O ALA A 49 7.854 1.070 1.727 1.00 0.00 O ATOM 705 CB ALA A 49 5.933 3.781 0.960 1.00 0.00 C ATOM 0 H ALA A 49 7.412 4.241 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 49 7.902 3.563 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.439 3.345 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.948 4.866 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.389 3.506 0.057 1.00 0.00 H new ATOM 711 N LEU A 50 6.816 1.188 -0.267 1.00 0.00 N ATOM 712 CA LEU A 50 6.757 -0.258 -0.445 1.00 0.00 C ATOM 713 C LEU A 50 8.106 -0.807 -0.899 1.00 0.00 C ATOM 714 O LEU A 50 9.039 -0.049 -1.163 1.00 0.00 O ATOM 715 CB LEU A 50 5.676 -0.623 -1.464 1.00 0.00 C ATOM 716 CG LEU A 50 4.231 -0.386 -1.023 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.310 -0.308 -2.231 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.777 -1.486 -0.074 1.00 0.00 C ATOM 0 H LEU A 50 6.406 1.724 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 50 6.508 -0.707 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.855 -0.051 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.788 -1.676 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 50 4.184 0.566 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.286 -0.139 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.623 0.515 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.360 -1.244 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.747 -1.302 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.840 -2.450 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.419 -1.495 0.807 1.00 0.00 H new ATOM 730 N GLY A 51 8.201 -2.130 -0.990 1.00 0.00 N ATOM 731 CA GLY A 51 9.438 -2.757 -1.415 1.00 0.00 C ATOM 732 C GLY A 51 9.203 -4.040 -2.188 1.00 0.00 C ATOM 733 O GLY A 51 8.208 -4.737 -1.988 1.00 0.00 O ATOM 0 H GLY A 51 7.443 -2.778 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.000 -2.060 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.052 -2.971 -0.540 1.00 0.00 H new ATOM 737 N PRO A 52 10.133 -4.367 -3.097 1.00 0.00 N ATOM 738 CA PRO A 52 10.043 -5.576 -3.922 1.00 0.00 C ATOM 739 C PRO A 52 10.249 -6.849 -3.109 1.00 0.00 C ATOM 740 O PRO A 52 9.894 -7.942 -3.550 1.00 0.00 O ATOM 741 CB PRO A 52 11.178 -5.399 -4.935 1.00 0.00 C ATOM 742 CG PRO A 52 12.157 -4.506 -4.254 1.00 0.00 C ATOM 743 CD PRO A 52 11.345 -3.583 -3.389 1.00 0.00 C ATOM 0 HA PRO A 52 9.059 -5.686 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.630 -6.356 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.816 -4.955 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.861 -5.084 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.744 -3.944 -4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.879 -3.314 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.107 -2.653 -3.906 1.00 0.00 H new ATOM 751 N MET A 53 10.823 -6.700 -1.920 1.00 0.00 N ATOM 752 CA MET A 53 11.074 -7.840 -1.045 1.00 0.00 C ATOM 753 C MET A 53 9.935 -8.019 -0.047 1.00 0.00 C ATOM 754 O MET A 53 9.476 -9.137 0.193 1.00 0.00 O ATOM 755 CB MET A 53 12.397 -7.656 -0.299 1.00 0.00 C ATOM 756 CG MET A 53 13.610 -8.120 -1.090 1.00 0.00 C ATOM 757 SD MET A 53 13.941 -9.880 -0.886 1.00 0.00 S ATOM 758 CE MET A 53 14.681 -10.272 -2.469 1.00 0.00 C ATOM 0 H MET A 53 11.123 -5.802 -1.540 1.00 0.00 H new ATOM 0 HA MET A 53 11.136 -8.735 -1.664 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.519 -6.603 -0.047 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.354 -8.206 0.641 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.454 -7.904 -2.147 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.484 -7.551 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.178 -11.240 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.905 -10.310 -3.234 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.410 -9.505 -2.730 1.00 0.00 H new ATOM 768 N VAL A 54 9.482 -6.912 0.534 1.00 0.00 N ATOM 769 CA VAL A 54 8.396 -6.948 1.506 1.00 0.00 C ATOM 770 C VAL A 54 7.141 -7.572 0.905 1.00 0.00 C ATOM 771 O VAL A 54 6.716 -7.207 -0.191 1.00 0.00 O ATOM 772 CB VAL A 54 8.057 -5.536 2.021 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.181 -4.799 1.020 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.379 -5.614 3.380 1.00 0.00 C ATOM 0 H VAL A 54 9.851 -5.979 0.348 1.00 0.00 H new ATOM 0 HA VAL A 54 8.739 -7.559 2.341 1.00 0.00 H new ATOM 0 HB VAL A 54 8.985 -4.977 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.952 -3.804 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.708 -4.712 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.254 -5.353 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.147 -4.608 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.458 -6.190 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.046 -6.100 4.092 1.00 0.00 H new ATOM 784 N VAL A 55 6.552 -8.517 1.631 1.00 0.00 N ATOM 785 CA VAL A 55 5.344 -9.193 1.171 1.00 0.00 C ATOM 786 C VAL A 55 4.290 -9.244 2.272 1.00 0.00 C ATOM 787 O VAL A 55 4.616 -9.364 3.452 1.00 0.00 O ATOM 788 CB VAL A 55 5.648 -10.627 0.700 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.378 -11.311 0.216 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.706 -10.615 -0.393 1.00 0.00 C ATOM 0 H VAL A 55 6.891 -8.832 2.540 1.00 0.00 H new ATOM 0 HA VAL A 55 4.959 -8.616 0.330 1.00 0.00 H new ATOM 0 HB VAL A 55 6.038 -11.194 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.613 -12.323 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.654 -11.352 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.956 -10.748 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.909 -11.637 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.346 -10.033 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.622 -10.167 -0.008 1.00 0.00 H new ATOM 800 N GLY A 56 3.024 -9.151 1.876 1.00 0.00 N ATOM 801 CA GLY A 56 1.941 -9.190 2.841 1.00 0.00 C ATOM 802 C GLY A 56 0.761 -10.007 2.356 1.00 0.00 C ATOM 803 O GLY A 56 0.589 -10.209 1.153 1.00 0.00 O ATOM 0 H GLY A 56 2.729 -9.049 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.308 -9.609 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.612 -8.173 3.054 1.00 0.00 H new ATOM 807 N ARG A 57 -0.055 -10.480 3.292 1.00 0.00 N ATOM 808 CA ARG A 57 -1.224 -11.283 2.954 1.00 0.00 C ATOM 809 C ARG A 57 -2.509 -10.486 3.158 1.00 0.00 C ATOM 810 O ARG A 57 -2.704 -9.859 4.200 1.00 0.00 O ATOM 811 CB ARG A 57 -1.259 -12.555 3.803 1.00 0.00 C ATOM 812 CG ARG A 57 -0.542 -13.733 3.165 1.00 0.00 C ATOM 813 CD ARG A 57 -0.826 -15.028 3.911 1.00 0.00 C ATOM 814 NE ARG A 57 0.034 -16.119 3.460 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.249 -17.403 3.647 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.364 -17.756 4.271 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.584 -18.338 3.208 1.00 0.00 N ATOM 0 H ARG A 57 0.072 -10.321 4.291 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.152 -11.559 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.807 -12.347 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.297 -12.830 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.857 -13.833 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.532 -13.545 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.681 -14.870 4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.870 -15.307 3.769 1.00 0.00 H new ATOM 0 HE ARG A 57 0.899 -15.882 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.008 -17.041 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.578 -18.743 4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.443 -18.071 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.366 -19.324 3.352 1.00 0.00 H new ATOM 831 N LEU A 58 -3.382 -10.515 2.158 1.00 0.00 N ATOM 832 CA LEU A 58 -4.649 -9.795 2.227 1.00 0.00 C ATOM 833 C LEU A 58 -5.378 -10.101 3.531 1.00 0.00 C ATOM 834 O LEU A 58 -5.020 -11.032 4.253 1.00 0.00 O ATOM 835 CB LEU A 58 -5.534 -10.165 1.035 1.00 0.00 C ATOM 836 CG LEU A 58 -5.119 -9.581 -0.316 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.505 -10.523 -1.445 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.751 -8.212 -0.522 1.00 0.00 C ATOM 0 H LEU A 58 -3.236 -11.029 1.289 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.434 -8.727 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.556 -11.251 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.553 -9.842 1.250 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.035 -9.464 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.202 -10.091 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.006 -11.482 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.585 -10.672 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.445 -7.812 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.837 -8.305 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.425 -7.538 0.270 1.00 0.00 H new ATOM 850 N THR A 59 -6.406 -9.311 3.828 1.00 0.00 N ATOM 851 CA THR A 59 -7.187 -9.497 5.044 1.00 0.00 C ATOM 852 C THR A 59 -8.534 -10.142 4.739 1.00 0.00 C ATOM 853 O THR A 59 -9.273 -10.521 5.648 1.00 0.00 O ATOM 854 CB THR A 59 -7.423 -8.160 5.770 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.098 -7.243 4.902 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.106 -7.554 6.231 1.00 0.00 C ATOM 0 H THR A 59 -6.717 -8.536 3.242 1.00 0.00 H new ATOM 0 HA THR A 59 -6.610 -10.157 5.692 1.00 0.00 H new ATOM 0 HB THR A 59 -8.042 -8.353 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.474 -6.919 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.299 -6.610 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.609 -8.242 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.466 -7.376 5.367 1.00 0.00 H new ATOM 864 N LYS A 60 -8.849 -10.264 3.454 1.00 0.00 N ATOM 865 CA LYS A 60 -10.107 -10.865 3.027 1.00 0.00 C ATOM 866 C LYS A 60 -9.920 -12.342 2.695 1.00 0.00 C ATOM 867 O LYS A 60 -10.394 -13.217 3.420 1.00 0.00 O ATOM 868 CB LYS A 60 -10.663 -10.123 1.809 1.00 0.00 C ATOM 869 CG LYS A 60 -12.175 -10.208 1.684 1.00 0.00 C ATOM 870 CD LYS A 60 -12.862 -9.108 2.476 1.00 0.00 C ATOM 871 CE LYS A 60 -14.181 -8.701 1.836 1.00 0.00 C ATOM 872 NZ LYS A 60 -15.294 -9.606 2.237 1.00 0.00 N ATOM 0 H LYS A 60 -8.249 -9.954 2.689 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.817 -10.783 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.370 -9.075 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.208 -10.531 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.459 -10.134 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.516 -11.181 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.041 -9.450 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.205 -8.241 2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.424 -7.678 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.077 -8.712 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.175 -9.296 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.074 -10.579 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.410 -9.577 3.270 1.00 0.00 H new ATOM 886 N CYS A 61 -9.224 -12.612 1.595 1.00 0.00 N ATOM 887 CA CYS A 61 -8.973 -13.983 1.167 1.00 0.00 C ATOM 888 C CYS A 61 -7.647 -14.493 1.726 1.00 0.00 C ATOM 889 O CYS A 61 -7.238 -15.621 1.450 1.00 0.00 O ATOM 890 CB CYS A 61 -8.961 -14.068 -0.361 1.00 0.00 C ATOM 891 SG CYS A 61 -8.016 -12.738 -1.172 1.00 0.00 S ATOM 0 H CYS A 61 -8.824 -11.900 0.984 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.776 -14.611 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.542 -15.030 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.989 -14.042 -0.724 1.00 0.00 H new ATOM 896 N SER A 62 -6.982 -13.654 2.514 1.00 0.00 N ATOM 897 CA SER A 62 -5.702 -14.018 3.109 1.00 0.00 C ATOM 898 C SER A 62 -4.745 -14.560 2.051 1.00 0.00 C ATOM 899 O SER A 62 -3.975 -15.486 2.310 1.00 0.00 O ATOM 900 CB SER A 62 -5.905 -15.061 4.211 1.00 0.00 C ATOM 901 OG SER A 62 -6.160 -16.341 3.660 1.00 0.00 O ATOM 0 H SER A 62 -7.308 -12.718 2.755 1.00 0.00 H new ATOM 0 HA SER A 62 -5.264 -13.120 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.018 -15.104 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.737 -14.764 4.849 1.00 0.00 H new ATOM 0 HG SER A 62 -6.359 -16.252 2.705 1.00 0.00 H new ATOM 907 N HIS A 63 -4.799 -13.976 0.859 1.00 0.00 N ATOM 908 CA HIS A 63 -3.938 -14.398 -0.240 1.00 0.00 C ATOM 909 C HIS A 63 -2.658 -13.568 -0.277 1.00 0.00 C ATOM 910 O HIS A 63 -2.705 -12.344 -0.391 1.00 0.00 O ATOM 911 CB HIS A 63 -4.678 -14.277 -1.572 1.00 0.00 C ATOM 912 CG HIS A 63 -5.696 -15.352 -1.792 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.449 -15.452 -2.943 1.00 0.00 N ATOM 914 CD2 HIS A 63 -6.084 -16.380 -1.001 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.256 -16.494 -2.850 1.00 0.00 C ATOM 916 NE2 HIS A 63 -7.054 -17.074 -1.681 1.00 0.00 N ATOM 0 H HIS A 63 -5.430 -13.209 0.629 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.668 -15.442 -0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.172 -13.306 -1.617 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.952 -14.304 -2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.702 -16.611 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.961 -16.816 -3.602 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.540 -17.903 -1.339 1.00 0.00 H new ATOM 924 N ALA A 64 -1.518 -14.243 -0.179 1.00 0.00 N ATOM 925 CA ALA A 64 -0.226 -13.567 -0.203 1.00 0.00 C ATOM 926 C ALA A 64 0.030 -12.921 -1.560 1.00 0.00 C ATOM 927 O ALA A 64 -0.392 -13.437 -2.594 1.00 0.00 O ATOM 928 CB ALA A 64 0.888 -14.546 0.137 1.00 0.00 C ATOM 0 H ALA A 64 -1.462 -15.257 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.242 -12.777 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.847 -14.028 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.720 -14.957 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.896 -15.355 -0.593 1.00 0.00 H new ATOM 934 N PHE A 65 0.724 -11.787 -1.548 1.00 0.00 N ATOM 935 CA PHE A 65 1.035 -11.069 -2.779 1.00 0.00 C ATOM 936 C PHE A 65 2.060 -9.968 -2.521 1.00 0.00 C ATOM 937 O PHE A 65 2.012 -9.287 -1.496 1.00 0.00 O ATOM 938 CB PHE A 65 -0.237 -10.467 -3.379 1.00 0.00 C ATOM 939 CG PHE A 65 -0.933 -11.380 -4.348 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.457 -11.532 -5.640 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.063 -12.085 -3.967 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.094 -12.371 -6.535 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.704 -12.926 -4.856 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.220 -13.069 -6.142 1.00 0.00 C ATOM 0 H PHE A 65 1.081 -11.346 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 65 1.461 -11.780 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.925 -10.214 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.016 -9.536 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.423 -10.988 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.447 -11.976 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.712 -12.481 -7.539 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.583 -13.471 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.721 -13.725 -6.839 1.00 0.00 H new ATOM 954 N HIS A 66 2.986 -9.798 -3.459 1.00 0.00 N ATOM 955 CA HIS A 66 4.023 -8.780 -3.335 1.00 0.00 C ATOM 956 C HIS A 66 3.408 -7.406 -3.085 1.00 0.00 C ATOM 957 O HIS A 66 2.843 -6.793 -3.992 1.00 0.00 O ATOM 958 CB HIS A 66 4.885 -8.744 -4.597 1.00 0.00 C ATOM 959 CG HIS A 66 5.848 -9.887 -4.698 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.600 -11.016 -5.450 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.066 -10.071 -4.136 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.623 -11.845 -5.346 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.526 -11.295 -4.555 1.00 0.00 N ATOM 0 H HIS A 66 3.039 -10.352 -4.314 1.00 0.00 H new ATOM 0 HA HIS A 66 4.651 -9.038 -2.482 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.234 -8.749 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.442 -7.807 -4.620 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.580 -9.383 -3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.707 -12.809 -5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 66 8.420 -11.712 -4.297 1.00 0.00 H new ATOM 971 N LEU A 67 3.521 -6.929 -1.851 1.00 0.00 N ATOM 972 CA LEU A 67 2.975 -5.627 -1.481 1.00 0.00 C ATOM 973 C LEU A 67 3.286 -4.583 -2.549 1.00 0.00 C ATOM 974 O LEU A 67 2.595 -3.570 -2.662 1.00 0.00 O ATOM 975 CB LEU A 67 3.543 -5.179 -0.133 1.00 0.00 C ATOM 976 CG LEU A 67 3.158 -6.034 1.075 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.609 -5.368 2.365 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.657 -6.283 1.096 1.00 0.00 C ATOM 0 H LEU A 67 3.985 -7.423 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 67 1.892 -5.724 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.630 -5.160 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.218 -4.155 0.053 1.00 0.00 H new ATOM 0 HG LEU A 67 3.664 -6.996 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.327 -5.991 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.692 -5.243 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.132 -4.392 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.401 -6.893 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.131 -5.330 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.362 -6.804 0.185 1.00 0.00 H new ATOM 990 N LEU A 68 4.328 -4.838 -3.333 1.00 0.00 N ATOM 991 CA LEU A 68 4.730 -3.922 -4.394 1.00 0.00 C ATOM 992 C LEU A 68 3.923 -4.172 -5.664 1.00 0.00 C ATOM 993 O LEU A 68 3.361 -3.245 -6.248 1.00 0.00 O ATOM 994 CB LEU A 68 6.223 -4.072 -4.687 1.00 0.00 C ATOM 995 CG LEU A 68 6.843 -3.001 -5.585 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.874 -1.659 -4.870 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.244 -3.410 -6.016 1.00 0.00 C ATOM 0 H LEU A 68 4.910 -5.672 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 68 4.534 -2.905 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.760 -4.077 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.386 -5.045 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 68 6.226 -2.901 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.318 -0.909 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.858 -1.360 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.468 -1.745 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.669 -2.635 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.873 -3.539 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.195 -4.349 -6.568 1.00 0.00 H new ATOM 1009 N CYS A 69 3.868 -5.431 -6.085 1.00 0.00 N ATOM 1010 CA CYS A 69 3.128 -5.805 -7.284 1.00 0.00 C ATOM 1011 C CYS A 69 1.710 -5.242 -7.247 1.00 0.00 C ATOM 1012 O CYS A 69 1.232 -4.668 -8.226 1.00 0.00 O ATOM 1013 CB CYS A 69 3.080 -7.328 -7.425 1.00 0.00 C ATOM 1014 SG CYS A 69 4.644 -8.072 -7.991 1.00 0.00 S ATOM 0 H CYS A 69 4.327 -6.210 -5.613 1.00 0.00 H new ATOM 0 HA CYS A 69 3.645 -5.383 -8.146 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.810 -7.763 -6.463 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.289 -7.592 -8.127 1.00 0.00 H new ATOM 1019 N LEU A 70 1.043 -5.411 -6.111 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.321 -4.919 -5.944 1.00 0.00 C ATOM 1021 C LEU A 70 -0.406 -3.431 -6.267 1.00 0.00 C ATOM 1022 O LEU A 70 -1.311 -2.990 -6.977 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.804 -5.171 -4.515 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.974 -6.637 -4.112 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.087 -6.766 -2.601 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.195 -7.238 -4.793 1.00 0.00 C ATOM 0 H LEU A 70 1.424 -5.885 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.964 -5.460 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.098 -4.705 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.760 -4.665 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.092 -7.188 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.207 -7.816 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.184 -6.374 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.951 -6.201 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.301 -8.281 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.086 -6.684 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.074 -7.180 -5.875 1.00 0.00 H new ATOM 1038 N LEU A 71 0.542 -2.662 -5.743 1.00 0.00 N ATOM 1039 CA LEU A 71 0.575 -1.222 -5.977 1.00 0.00 C ATOM 1040 C LEU A 71 0.639 -0.915 -7.470 1.00 0.00 C ATOM 1041 O LEU A 71 -0.174 -0.154 -7.992 1.00 0.00 O ATOM 1042 CB LEU A 71 1.776 -0.598 -5.264 1.00 0.00 C ATOM 1043 CG LEU A 71 2.061 0.869 -5.590 1.00 0.00 C ATOM 1044 CD1 LEU A 71 1.253 1.784 -4.683 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.548 1.164 -5.459 1.00 0.00 C ATOM 0 H LEU A 71 1.298 -3.011 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.342 -0.791 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.622 -0.687 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.663 -1.183 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 71 1.762 1.057 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.469 2.824 -4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.190 1.591 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.521 1.595 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.733 2.212 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.871 0.959 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.106 0.533 -6.150 1.00 0.00 H new ATOM 1057 N ALA A 72 1.611 -1.514 -8.151 1.00 0.00 N ATOM 1058 CA ALA A 72 1.778 -1.307 -9.584 1.00 0.00 C ATOM 1059 C ALA A 72 0.501 -1.655 -10.342 1.00 0.00 C ATOM 1060 O ALA A 72 0.008 -0.860 -11.142 1.00 0.00 O ATOM 1061 CB ALA A 72 2.944 -2.135 -10.104 1.00 0.00 C ATOM 0 H ALA A 72 2.294 -2.146 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 72 1.992 -0.251 -9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.057 -1.971 -11.176 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.859 -1.837 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.752 -3.192 -9.917 1.00 0.00 H new ATOM 1067 N MET A 73 -0.028 -2.846 -10.085 1.00 0.00 N ATOM 1068 CA MET A 73 -1.248 -3.298 -10.743 1.00 0.00 C ATOM 1069 C MET A 73 -2.394 -2.323 -10.492 1.00 0.00 C ATOM 1070 O MET A 73 -3.205 -2.061 -11.381 1.00 0.00 O ATOM 1071 CB MET A 73 -1.634 -4.693 -10.249 1.00 0.00 C ATOM 1072 CG MET A 73 -2.819 -5.294 -10.987 1.00 0.00 C ATOM 1073 SD MET A 73 -3.555 -6.683 -10.105 1.00 0.00 S ATOM 1074 CE MET A 73 -4.501 -5.824 -8.849 1.00 0.00 C ATOM 0 H MET A 73 0.369 -3.516 -9.426 1.00 0.00 H new ATOM 0 HA MET A 73 -1.057 -3.340 -11.815 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.776 -5.357 -10.355 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.867 -4.641 -9.186 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.575 -4.524 -11.140 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.497 -5.625 -11.974 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.348 -6.307 -7.884 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.172 -4.787 -8.791 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.560 -5.855 -9.106 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.455 -1.789 -9.277 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.504 -0.845 -8.909 1.00 0.00 C ATOM 1086 C TYR A 74 -3.379 0.448 -9.710 1.00 0.00 C ATOM 1087 O TYR A 74 -4.381 1.065 -10.074 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.440 -0.538 -7.412 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.081 0.779 -7.036 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.449 1.985 -7.311 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.318 0.816 -6.406 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.030 3.191 -6.968 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -5.908 2.017 -6.061 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.260 3.201 -6.344 1.00 0.00 C ATOM 1095 OH TYR A 74 -5.843 4.400 -6.002 1.00 0.00 O ATOM 0 H TYR A 74 -1.791 -1.994 -8.530 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.466 -1.302 -9.139 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.932 -1.341 -6.864 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.397 -0.528 -7.096 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.487 1.980 -7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.828 -0.110 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.524 4.120 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.871 2.028 -5.572 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.561 5.093 -6.635 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.143 0.851 -9.981 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.885 2.070 -10.740 1.00 0.00 C ATOM 1107 C CYS A 75 -2.541 2.004 -12.115 1.00 0.00 C ATOM 1108 O CYS A 75 -3.047 3.004 -12.621 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.379 2.293 -10.889 1.00 0.00 C ATOM 1110 SG CYS A 75 0.065 3.931 -11.512 1.00 0.00 S ATOM 0 H CYS A 75 -1.304 0.352 -9.687 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.317 2.908 -10.193 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.098 2.143 -9.920 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.025 1.538 -11.563 1.00 0.00 H new ATOM 0 HG CYS A 75 1.358 4.025 -11.602 1.00 0.00 H new ATOM 1116 N ASN A 76 -2.526 0.818 -12.715 1.00 0.00 N ATOM 1117 CA ASN A 76 -3.117 0.622 -14.034 1.00 0.00 C ATOM 1118 C ASN A 76 -4.591 0.244 -13.918 1.00 0.00 C ATOM 1119 O ASN A 76 -5.384 0.514 -14.819 1.00 0.00 O ATOM 1120 CB ASN A 76 -2.359 -0.465 -14.799 1.00 0.00 C ATOM 1121 CG ASN A 76 -2.963 -0.740 -16.163 1.00 0.00 C ATOM 1122 OD1 ASN A 76 -3.769 0.043 -16.667 1.00 0.00 O ATOM 1123 ND2 ASN A 76 -2.575 -1.857 -16.767 1.00 0.00 N ATOM 0 H ASN A 76 -2.111 -0.021 -12.309 1.00 0.00 H new ATOM 0 HA ASN A 76 -3.043 1.561 -14.582 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.319 -0.162 -14.920 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.358 -1.384 -14.213 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.947 -2.095 -17.686 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.905 -2.477 -16.312 1.00 0.00 H new ATOM 1130 N GLY A 77 -4.950 -0.382 -12.802 1.00 0.00 N ATOM 1131 CA GLY A 77 -6.327 -0.787 -12.588 1.00 0.00 C ATOM 1132 C GLY A 77 -7.230 0.384 -12.254 1.00 0.00 C ATOM 1133 O GLY A 77 -7.218 1.402 -12.944 1.00 0.00 O ATOM 0 H GLY A 77 -4.312 -0.616 -12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.699 -1.285 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.367 -1.515 -11.778 1.00 0.00 H new ATOM 1137 N ASN A 78 -8.017 0.238 -11.193 1.00 0.00 N ATOM 1138 CA ASN A 78 -8.932 1.292 -10.770 1.00 0.00 C ATOM 1139 C ASN A 78 -8.312 2.139 -9.663 1.00 0.00 C ATOM 1140 O ASN A 78 -8.436 1.822 -8.480 1.00 0.00 O ATOM 1141 CB ASN A 78 -10.251 0.686 -10.286 1.00 0.00 C ATOM 1142 CG ASN A 78 -11.158 1.716 -9.640 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -11.312 1.745 -8.418 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -11.763 2.568 -10.459 1.00 0.00 N ATOM 0 H ASN A 78 -8.040 -0.599 -10.611 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.128 1.935 -11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.768 0.228 -11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -10.041 -0.109 -9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.385 3.283 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.606 2.507 -11.465 1.00 0.00 H new ATOM 1151 N LYS A 79 -7.646 3.219 -10.056 1.00 0.00 N ATOM 1152 CA LYS A 79 -7.007 4.115 -9.098 1.00 0.00 C ATOM 1153 C LYS A 79 -8.042 4.986 -8.394 1.00 0.00 C ATOM 1154 O LYS A 79 -7.903 6.208 -8.336 1.00 0.00 O ATOM 1155 CB LYS A 79 -5.977 4.999 -9.805 1.00 0.00 C ATOM 1156 CG LYS A 79 -4.717 4.256 -10.215 1.00 0.00 C ATOM 1157 CD LYS A 79 -3.713 5.184 -10.878 1.00 0.00 C ATOM 1158 CE LYS A 79 -4.204 5.656 -12.238 1.00 0.00 C ATOM 1159 NZ LYS A 79 -3.104 6.244 -13.051 1.00 0.00 N ATOM 0 H LYS A 79 -7.534 3.496 -11.031 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.501 3.505 -8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.435 5.438 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.704 5.823 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.263 3.795 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.976 3.449 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.533 6.046 -10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.760 4.668 -10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.645 4.817 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.992 6.397 -12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.479 6.554 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.700 7.060 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.364 5.529 -13.202 1.00 0.00 H new ATOM 1173 N ASP A 80 -9.079 4.350 -7.860 1.00 0.00 N ATOM 1174 CA ASP A 80 -10.137 5.067 -7.158 1.00 0.00 C ATOM 1175 C ASP A 80 -10.266 4.573 -5.720 1.00 0.00 C ATOM 1176 O ASP A 80 -11.372 4.413 -5.205 1.00 0.00 O ATOM 1177 CB ASP A 80 -11.469 4.899 -7.889 1.00 0.00 C ATOM 1178 CG ASP A 80 -11.384 5.304 -9.348 1.00 0.00 C ATOM 1179 OD1 ASP A 80 -10.568 4.708 -10.082 1.00 0.00 O ATOM 1180 OD2 ASP A 80 -12.133 6.217 -9.755 1.00 0.00 O ATOM 0 H ASP A 80 -9.209 3.339 -7.900 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.874 6.125 -7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.788 3.859 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.231 5.499 -7.392 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.127 4.333 -5.078 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.135 3.858 -3.706 1.00 0.00 C ATOM 1187 C GLY A 81 -9.718 2.465 -3.578 1.00 0.00 C ATOM 1188 O GLY A 81 -10.455 2.178 -2.635 1.00 0.00 O ATOM 0 H GLY A 81 -8.199 4.459 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.116 3.859 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.711 4.548 -3.089 1.00 0.00 H new ATOM 1192 N SER A 82 -9.390 1.598 -4.530 1.00 0.00 N ATOM 1193 CA SER A 82 -9.891 0.228 -4.523 1.00 0.00 C ATOM 1194 C SER A 82 -8.794 -0.754 -4.923 1.00 0.00 C ATOM 1195 O SER A 82 -7.972 -0.464 -5.793 1.00 0.00 O ATOM 1196 CB SER A 82 -11.083 0.094 -5.473 1.00 0.00 C ATOM 1197 OG SER A 82 -11.362 -1.267 -5.751 1.00 0.00 O ATOM 0 H SER A 82 -8.779 1.820 -5.316 1.00 0.00 H new ATOM 0 HA SER A 82 -10.215 -0.009 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.960 0.565 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.873 0.623 -6.403 1.00 0.00 H new ATOM 0 HG SER A 82 -12.129 -1.326 -6.359 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.788 -1.917 -4.281 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.793 -2.944 -4.569 1.00 0.00 C ATOM 1205 C LEU A 83 -8.457 -4.298 -4.796 1.00 0.00 C ATOM 1206 O LEU A 83 -9.164 -4.807 -3.926 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.787 -3.043 -3.421 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.394 -3.555 -3.791 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.417 -5.061 -4.001 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.880 -2.848 -5.037 1.00 0.00 C ATOM 0 H LEU A 83 -9.461 -2.172 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.268 -2.660 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.682 -2.056 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.202 -3.699 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.716 -3.335 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.417 -5.407 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.741 -5.551 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.109 -5.305 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.888 -3.225 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.559 -3.037 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.825 -1.776 -4.850 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.224 -4.877 -5.970 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.800 -6.173 -6.310 1.00 0.00 C ATOM 1224 C GLN A 84 -7.726 -7.255 -6.334 1.00 0.00 C ATOM 1225 O GLN A 84 -6.556 -6.979 -6.602 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.501 -6.103 -7.667 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.318 -7.342 -7.995 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.110 -7.196 -9.279 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.690 -6.502 -10.205 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.263 -7.852 -9.341 1.00 0.00 N ATOM 0 H GLN A 84 -7.641 -4.469 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.532 -6.430 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.156 -5.232 -7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.753 -5.955 -8.446 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.651 -8.200 -8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.002 -7.550 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.572 -8.416 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.839 -7.792 -10.180 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.130 -8.489 -6.052 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.203 -9.614 -6.041 1.00 0.00 C ATOM 1241 C CYS A 85 -7.215 -10.343 -7.381 1.00 0.00 C ATOM 1242 O CYS A 85 -8.236 -10.875 -7.818 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.564 -10.587 -4.916 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.304 -11.867 -4.608 1.00 0.00 S ATOM 0 H CYS A 85 -9.094 -8.735 -5.828 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.200 -9.224 -5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.724 -10.021 -3.998 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.509 -11.073 -5.160 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.053 -10.368 -8.051 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.903 -11.028 -9.351 1.00 0.00 C ATOM 1251 C PRO A 86 -5.987 -12.547 -9.243 1.00 0.00 C ATOM 1252 O PRO A 86 -5.822 -13.259 -10.234 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.506 -10.601 -9.807 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.772 -10.300 -8.546 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.796 -9.754 -7.590 1.00 0.00 C ATOM 0 HA PRO A 86 -6.696 -10.748 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.014 -11.393 -10.372 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.551 -9.727 -10.457 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.303 -11.198 -8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.976 -9.576 -8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.570 -10.027 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.842 -8.666 -7.629 1.00 0.00 H new ATOM 1263 N SER A 87 -6.244 -13.037 -8.034 1.00 0.00 N ATOM 1264 CA SER A 87 -6.346 -14.472 -7.797 1.00 0.00 C ATOM 1265 C SER A 87 -7.806 -14.905 -7.707 1.00 0.00 C ATOM 1266 O SER A 87 -8.254 -15.775 -8.454 1.00 0.00 O ATOM 1267 CB SER A 87 -5.609 -14.850 -6.510 1.00 0.00 C ATOM 1268 OG SER A 87 -5.425 -16.253 -6.422 1.00 0.00 O ATOM 0 H SER A 87 -6.385 -12.461 -7.204 1.00 0.00 H new ATOM 0 HA SER A 87 -5.884 -14.989 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.641 -14.350 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.174 -14.499 -5.647 1.00 0.00 H new ATOM 0 HG SER A 87 -4.951 -16.469 -5.592 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.543 -14.292 -6.787 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.952 -14.612 -6.597 1.00 0.00 C ATOM 1276 C CYS A 88 -10.840 -13.468 -7.076 1.00 0.00 C ATOM 1277 O CYS A 88 -12.034 -13.426 -6.778 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.235 -14.909 -5.123 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.803 -13.546 -3.994 1.00 0.00 S ATOM 0 H CYS A 88 -8.187 -13.570 -6.161 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.180 -15.498 -7.190 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.294 -15.141 -5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.679 -15.800 -4.830 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.249 -12.540 -7.822 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.984 -11.395 -8.345 1.00 0.00 C ATOM 1286 C LYS A 89 -11.917 -10.817 -7.285 1.00 0.00 C ATOM 1287 O LYS A 89 -13.064 -10.473 -7.573 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.790 -11.802 -9.581 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.964 -12.515 -10.638 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.042 -11.553 -11.368 1.00 0.00 C ATOM 1291 CE LYS A 89 -10.719 -10.952 -12.591 1.00 0.00 C ATOM 1292 NZ LYS A 89 -11.932 -10.170 -12.224 1.00 0.00 N ATOM 0 H LYS A 89 -9.262 -12.559 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.262 -10.628 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.609 -12.452 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.238 -10.911 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.373 -13.302 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.628 -12.999 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.737 -10.755 -10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.136 -12.076 -11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.015 -10.306 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.995 -11.749 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.208 -9.562 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.711 -10.822 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.726 -9.579 -11.394 1.00 0.00 H new ATOM 1306 N THR A 90 -11.417 -10.711 -6.058 1.00 0.00 N ATOM 1307 CA THR A 90 -12.205 -10.174 -4.955 1.00 0.00 C ATOM 1308 C THR A 90 -11.879 -8.705 -4.711 1.00 0.00 C ATOM 1309 O THR A 90 -10.805 -8.373 -4.208 1.00 0.00 O ATOM 1310 CB THR A 90 -11.963 -10.965 -3.656 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.445 -12.305 -3.801 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.658 -10.296 -2.479 1.00 0.00 C ATOM 0 H THR A 90 -10.470 -10.990 -5.803 1.00 0.00 H new ATOM 0 HA THR A 90 -13.253 -10.268 -5.239 1.00 0.00 H new ATOM 0 HB THR A 90 -10.890 -10.984 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.714 -12.936 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.473 -10.872 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.269 -9.286 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.731 -10.250 -2.668 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.812 -7.830 -5.070 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.624 -6.396 -4.888 1.00 0.00 C ATOM 1322 C ILE A 91 -12.798 -6.000 -3.425 1.00 0.00 C ATOM 1323 O ILE A 91 -13.575 -6.614 -2.693 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.611 -5.585 -5.748 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.477 -5.975 -7.221 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.372 -4.094 -5.565 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -14.714 -5.677 -8.040 1.00 0.00 C ATOM 0 H ILE A 91 -13.705 -8.089 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.606 -6.169 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.626 -5.813 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.628 -5.445 -7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.255 -7.040 -7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.077 -3.534 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.513 -3.829 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.354 -3.849 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.547 -5.979 -9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.561 -6.228 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -14.925 -4.608 -8.004 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.071 -4.971 -3.006 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.143 -4.493 -1.631 1.00 0.00 C ATOM 1341 C TYR A 92 -12.780 -3.108 -1.568 1.00 0.00 C ATOM 1342 O TYR A 92 -13.618 -2.836 -0.710 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.747 -4.453 -1.008 1.00 0.00 C ATOM 1344 CG TYR A 92 -10.140 -5.821 -0.794 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.961 -6.698 -1.857 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.747 -6.238 0.472 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.408 -7.949 -1.666 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -9.192 -7.487 0.672 1.00 0.00 C ATOM 1349 CZ TYR A 92 -9.025 -8.339 -0.400 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.473 -9.585 -0.204 1.00 0.00 O ATOM 0 H TYR A 92 -11.424 -4.451 -3.599 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.766 -5.186 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.088 -3.869 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.800 -3.935 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.260 -6.396 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.878 -5.574 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.276 -8.618 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.890 -7.795 1.662 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.727 -10.175 -0.944 1.00 0.00 H new ATOM 1360 N GLY A 93 -12.374 -2.235 -2.486 1.00 0.00 N ATOM 1361 CA GLY A 93 -12.915 -0.889 -2.519 1.00 0.00 C ATOM 1362 C GLY A 93 -14.392 -0.865 -2.859 1.00 0.00 C ATOM 1363 O GLY A 93 -15.238 -0.786 -1.969 1.00 0.00 O ATOM 0 H GLY A 93 -11.681 -2.436 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.761 -0.415 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.367 -0.298 -3.253 1.00 0.00 H new ATOM 1367 N GLU A 94 -14.702 -0.931 -4.150 1.00 0.00 N ATOM 1368 CA GLU A 94 -16.088 -0.914 -4.604 1.00 0.00 C ATOM 1369 C GLU A 94 -16.402 -2.152 -5.439 1.00 0.00 C ATOM 1370 O GLU A 94 -15.776 -2.395 -6.471 1.00 0.00 O ATOM 1371 CB GLU A 94 -16.364 0.349 -5.421 1.00 0.00 C ATOM 1372 CG GLU A 94 -17.716 0.342 -6.114 1.00 0.00 C ATOM 1373 CD GLU A 94 -17.757 1.256 -7.323 1.00 0.00 C ATOM 1374 OE1 GLU A 94 -16.735 1.341 -8.036 1.00 0.00 O ATOM 1375 OE2 GLU A 94 -18.810 1.886 -7.557 1.00 0.00 O ATOM 0 H GLU A 94 -14.013 -0.997 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.732 -0.917 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -16.307 1.217 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.581 0.465 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -17.956 -0.675 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -18.485 0.649 -5.405 1.00 0.00 H new ATOM 1382 N LYS A 95 -17.376 -2.934 -4.985 1.00 0.00 N ATOM 1383 CA LYS A 95 -17.775 -4.147 -5.688 1.00 0.00 C ATOM 1384 C LYS A 95 -19.037 -3.907 -6.512 1.00 0.00 C ATOM 1385 O LYS A 95 -20.021 -3.359 -6.014 1.00 0.00 O ATOM 1386 CB LYS A 95 -18.011 -5.284 -4.692 1.00 0.00 C ATOM 1387 CG LYS A 95 -17.661 -6.656 -5.242 1.00 0.00 C ATOM 1388 CD LYS A 95 -18.843 -7.291 -5.954 1.00 0.00 C ATOM 1389 CE LYS A 95 -18.438 -8.563 -6.682 1.00 0.00 C ATOM 1390 NZ LYS A 95 -19.504 -9.035 -7.609 1.00 0.00 N ATOM 0 H LYS A 95 -17.904 -2.749 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 95 -16.968 -4.428 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.419 -5.099 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.058 -5.279 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.823 -6.568 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.336 -7.303 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -19.626 -7.518 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.264 -6.581 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.521 -8.384 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.218 -9.344 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -19.190 -9.904 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.371 -9.231 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.696 -8.300 -8.320 1.00 0.00 H new ATOM 1404 N THR A 96 -19.002 -4.323 -7.774 1.00 0.00 N ATOM 1405 CA THR A 96 -20.143 -4.155 -8.666 1.00 0.00 C ATOM 1406 C THR A 96 -21.458 -4.273 -7.905 1.00 0.00 C ATOM 1407 O THR A 96 -22.255 -3.337 -7.874 1.00 0.00 O ATOM 1408 CB THR A 96 -20.125 -5.194 -9.803 1.00 0.00 C ATOM 1409 OG1 THR A 96 -18.839 -5.210 -10.432 1.00 0.00 O ATOM 1410 CG2 THR A 96 -21.197 -4.883 -10.836 1.00 0.00 C ATOM 0 H THR A 96 -18.196 -4.779 -8.202 1.00 0.00 H new ATOM 0 HA THR A 96 -20.064 -3.156 -9.096 1.00 0.00 H new ATOM 0 HB THR A 96 -20.330 -6.174 -9.373 1.00 0.00 H new ATOM 0 HG1 THR A 96 -18.835 -5.874 -11.152 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.165 -5.630 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 96 -22.177 -4.901 -10.360 1.00 0.00 H new ATOM 0 HG23 THR A 96 -21.018 -3.895 -11.260 1.00 0.00 H new ATOM 1418 N GLY A 97 -21.679 -5.431 -7.290 1.00 0.00 N ATOM 1419 CA GLY A 97 -22.899 -5.650 -6.536 1.00 0.00 C ATOM 1420 C GLY A 97 -22.787 -5.177 -5.100 1.00 0.00 C ATOM 1421 O GLY A 97 -21.708 -4.796 -4.646 1.00 0.00 O ATOM 0 H GLY A 97 -21.034 -6.221 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -23.722 -5.128 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -23.143 -6.712 -6.547 1.00 0.00 H new ATOM 1425 N THR A 98 -23.906 -5.200 -4.382 1.00 0.00 N ATOM 1426 CA THR A 98 -23.929 -4.768 -2.990 1.00 0.00 C ATOM 1427 C THR A 98 -22.966 -3.610 -2.758 1.00 0.00 C ATOM 1428 O THR A 98 -22.262 -3.569 -1.749 1.00 0.00 O ATOM 1429 CB THR A 98 -23.565 -5.922 -2.037 1.00 0.00 C ATOM 1430 OG1 THR A 98 -23.680 -5.490 -0.677 1.00 0.00 O ATOM 1431 CG2 THR A 98 -22.151 -6.416 -2.300 1.00 0.00 C ATOM 0 H THR A 98 -24.808 -5.513 -4.742 1.00 0.00 H new ATOM 0 HA THR A 98 -24.946 -4.439 -2.778 1.00 0.00 H new ATOM 0 HB THR A 98 -24.259 -6.743 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 98 -23.183 -4.654 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 98 -21.917 -7.231 -1.615 1.00 0.00 H new ATOM 0 HG22 THR A 98 -22.075 -6.773 -3.327 1.00 0.00 H new ATOM 0 HG23 THR A 98 -21.446 -5.599 -2.147 1.00 0.00 H new ATOM 1439 N GLN A 99 -22.940 -2.670 -3.697 1.00 0.00 N ATOM 1440 CA GLN A 99 -22.062 -1.510 -3.593 1.00 0.00 C ATOM 1441 C GLN A 99 -21.893 -1.084 -2.139 1.00 0.00 C ATOM 1442 O GLN A 99 -22.822 -1.154 -1.334 1.00 0.00 O ATOM 1443 CB GLN A 99 -22.619 -0.347 -4.416 1.00 0.00 C ATOM 1444 CG GLN A 99 -22.776 -0.668 -5.894 1.00 0.00 C ATOM 1445 CD GLN A 99 -23.582 0.380 -6.636 1.00 0.00 C ATOM 1446 OE1 GLN A 99 -24.487 0.997 -6.073 1.00 0.00 O ATOM 1447 NE2 GLN A 99 -23.257 0.587 -7.907 1.00 0.00 N ATOM 0 H GLN A 99 -23.517 -2.689 -4.538 1.00 0.00 H new ATOM 0 HA GLN A 99 -21.085 -1.789 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -23.588 -0.057 -4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -21.958 0.513 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -21.790 -0.753 -6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -23.262 -1.638 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -22.500 0.053 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -23.765 1.280 -8.457 1.00 0.00 H new ATOM 1456 N PRO A 100 -20.679 -0.633 -1.791 1.00 0.00 N ATOM 1457 CA PRO A 100 -20.359 -0.186 -0.432 1.00 0.00 C ATOM 1458 C PRO A 100 -21.056 1.121 -0.072 1.00 0.00 C ATOM 1459 O PRO A 100 -21.792 1.686 -0.882 1.00 0.00 O ATOM 1460 CB PRO A 100 -18.842 0.010 -0.470 1.00 0.00 C ATOM 1461 CG PRO A 100 -18.530 0.277 -1.903 1.00 0.00 C ATOM 1462 CD PRO A 100 -19.524 -0.523 -2.699 1.00 0.00 C ATOM 0 HA PRO A 100 -20.691 -0.901 0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -18.534 0.842 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -18.319 -0.876 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.614 1.340 -2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.509 -0.020 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -19.791 -0.021 -3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -19.129 -1.503 -2.967 1.00 0.00 H new ATOM 1470 N TRP A 101 -20.819 1.597 1.145 1.00 0.00 N ATOM 1471 CA TRP A 101 -21.425 2.839 1.611 1.00 0.00 C ATOM 1472 C TRP A 101 -20.408 3.975 1.608 1.00 0.00 C ATOM 1473 O TRP A 101 -20.714 5.095 1.200 1.00 0.00 O ATOM 1474 CB TRP A 101 -21.999 2.655 3.016 1.00 0.00 C ATOM 1475 CG TRP A 101 -23.338 1.983 3.028 1.00 0.00 C ATOM 1476 CD1 TRP A 101 -23.708 0.906 3.781 1.00 0.00 C ATOM 1477 CD2 TRP A 101 -24.484 2.343 2.248 1.00 0.00 C ATOM 1478 NE1 TRP A 101 -25.015 0.574 3.517 1.00 0.00 N ATOM 1479 CE2 TRP A 101 -25.514 1.441 2.581 1.00 0.00 C ATOM 1480 CE3 TRP A 101 -24.741 3.340 1.304 1.00 0.00 C ATOM 1481 CZ2 TRP A 101 -26.778 1.507 2.000 1.00 0.00 C ATOM 1482 CZ3 TRP A 101 -25.996 3.404 0.728 1.00 0.00 C ATOM 1483 CH2 TRP A 101 -27.002 2.493 1.078 1.00 0.00 C ATOM 0 H TRP A 101 -20.212 1.142 1.827 1.00 0.00 H new ATOM 0 HA TRP A 101 -22.234 3.098 0.928 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -21.300 2.068 3.612 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -22.086 3.630 3.496 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -23.067 0.391 4.481 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -25.530 -0.194 3.948 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -23.973 4.048 1.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -27.554 0.805 2.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -26.205 4.169 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -27.973 2.571 0.611 1.00 0.00 H new ATOM 1494 N GLY A 102 -19.195 3.679 2.067 1.00 0.00 N ATOM 1495 CA GLY A 102 -18.151 4.687 2.108 1.00 0.00 C ATOM 1496 C GLY A 102 -18.637 6.001 2.686 1.00 0.00 C ATOM 1497 O GLY A 102 -18.653 7.022 1.999 1.00 0.00 O ATOM 0 H GLY A 102 -18.917 2.760 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -17.317 4.318 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -17.772 4.855 1.100 1.00 0.00 H new ATOM 1501 N LYS A 103 -19.036 5.977 3.954 1.00 0.00 N ATOM 1502 CA LYS A 103 -19.525 7.174 4.626 1.00 0.00 C ATOM 1503 C LYS A 103 -18.510 7.679 5.646 1.00 0.00 C ATOM 1504 O LYS A 103 -18.028 8.807 5.551 1.00 0.00 O ATOM 1505 CB LYS A 103 -20.860 6.887 5.317 1.00 0.00 C ATOM 1506 CG LYS A 103 -22.017 6.703 4.351 1.00 0.00 C ATOM 1507 CD LYS A 103 -22.406 8.014 3.690 1.00 0.00 C ATOM 1508 CE LYS A 103 -23.158 8.922 4.650 1.00 0.00 C ATOM 1509 NZ LYS A 103 -23.118 10.346 4.215 1.00 0.00 N ATOM 0 H LYS A 103 -19.030 5.140 4.537 1.00 0.00 H new ATOM 0 HA LYS A 103 -19.672 7.948 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -20.759 5.988 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -21.092 7.707 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -21.742 5.977 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -22.876 6.295 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -21.510 8.522 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -23.027 7.812 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -24.195 8.594 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -22.725 8.835 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -23.642 10.932 4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -22.130 10.668 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -23.554 10.434 3.275 1.00 0.00 H new ATOM 1523 N MET A 104 -18.188 6.835 6.621 1.00 0.00 N ATOM 1524 CA MET A 104 -17.228 7.195 7.657 1.00 0.00 C ATOM 1525 C MET A 104 -15.799 6.941 7.187 1.00 0.00 C ATOM 1526 O MET A 104 -15.576 6.229 6.209 1.00 0.00 O ATOM 1527 CB MET A 104 -17.504 6.402 8.937 1.00 0.00 C ATOM 1528 CG MET A 104 -18.545 7.046 9.838 1.00 0.00 C ATOM 1529 SD MET A 104 -18.749 6.169 11.400 1.00 0.00 S ATOM 1530 CE MET A 104 -20.111 5.077 10.998 1.00 0.00 C ATOM 0 H MET A 104 -18.578 5.897 6.715 1.00 0.00 H new ATOM 0 HA MET A 104 -17.340 8.259 7.866 1.00 0.00 H new ATOM 0 HB2 MET A 104 -17.838 5.400 8.669 1.00 0.00 H new ATOM 0 HB3 MET A 104 -16.573 6.290 9.493 1.00 0.00 H new ATOM 0 HG2 MET A 104 -18.257 8.078 10.040 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.501 7.078 9.316 1.00 0.00 H new ATOM 0 HE1 MET A 104 -20.356 4.466 11.867 1.00 0.00 H new ATOM 0 HE2 MET A 104 -20.981 5.669 10.714 1.00 0.00 H new ATOM 0 HE3 MET A 104 -19.826 4.430 10.169 1.00 0.00 H new ATOM 1540 N GLU A 105 -14.836 7.530 7.889 1.00 0.00 N ATOM 1541 CA GLU A 105 -13.429 7.368 7.541 1.00 0.00 C ATOM 1542 C GLU A 105 -12.631 6.844 8.731 1.00 0.00 C ATOM 1543 O GLU A 105 -12.993 7.073 9.885 1.00 0.00 O ATOM 1544 CB GLU A 105 -12.842 8.698 7.065 1.00 0.00 C ATOM 1545 CG GLU A 105 -11.366 8.620 6.713 1.00 0.00 C ATOM 1546 CD GLU A 105 -11.113 7.869 5.420 1.00 0.00 C ATOM 1547 OE1 GLU A 105 -11.978 7.058 5.027 1.00 0.00 O ATOM 1548 OE2 GLU A 105 -10.051 8.090 4.802 1.00 0.00 O ATOM 0 H GLU A 105 -15.004 8.123 8.702 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.363 6.640 6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.398 9.039 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.982 9.447 7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.963 9.629 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.828 8.130 7.525 1.00 0.00 H new ATOM 1555 N VAL A 106 -11.542 6.138 8.441 1.00 0.00 N ATOM 1556 CA VAL A 106 -10.692 5.581 9.486 1.00 0.00 C ATOM 1557 C VAL A 106 -9.530 6.515 9.805 1.00 0.00 C ATOM 1558 O VAL A 106 -9.164 6.695 10.967 1.00 0.00 O ATOM 1559 CB VAL A 106 -10.132 4.204 9.081 1.00 0.00 C ATOM 1560 CG1 VAL A 106 -9.408 4.294 7.746 1.00 0.00 C ATOM 1561 CG2 VAL A 106 -9.209 3.665 10.163 1.00 0.00 C ATOM 0 H VAL A 106 -11.228 5.939 7.491 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.316 5.465 10.372 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.965 3.511 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.019 3.312 7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.103 4.633 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.583 5.001 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.823 2.692 9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.378 4.355 10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.764 3.561 11.096 1.00 0.00 H new ATOM 1571 N PHE A 107 -8.953 7.109 8.766 1.00 0.00 N ATOM 1572 CA PHE A 107 -7.831 8.025 8.934 1.00 0.00 C ATOM 1573 C PHE A 107 -8.211 9.188 9.847 1.00 0.00 C ATOM 1574 O PHE A 107 -7.629 9.366 10.917 1.00 0.00 O ATOM 1575 CB PHE A 107 -7.371 8.558 7.576 1.00 0.00 C ATOM 1576 CG PHE A 107 -6.316 7.711 6.925 1.00 0.00 C ATOM 1577 CD1 PHE A 107 -5.043 7.630 7.467 1.00 0.00 C ATOM 1578 CD2 PHE A 107 -6.596 6.994 5.773 1.00 0.00 C ATOM 1579 CE1 PHE A 107 -4.069 6.852 6.870 1.00 0.00 C ATOM 1580 CE2 PHE A 107 -5.627 6.214 5.172 1.00 0.00 C ATOM 1581 CZ PHE A 107 -4.362 6.142 5.721 1.00 0.00 C ATOM 0 H PHE A 107 -9.244 6.972 7.798 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.012 7.475 9.396 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.232 8.626 6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.986 9.570 7.703 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.809 8.181 8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.584 7.045 5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.080 6.799 7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -5.859 5.661 4.274 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.603 5.532 5.253 1.00 0.00 H new ATOM 1591 N ARG A 108 -9.190 9.975 9.415 1.00 0.00 N ATOM 1592 CA ARG A 108 -9.647 11.122 10.192 1.00 0.00 C ATOM 1593 C ARG A 108 -10.927 10.788 10.953 1.00 0.00 C ATOM 1594 O ARG A 108 -11.732 9.972 10.505 1.00 0.00 O ATOM 1595 CB ARG A 108 -9.884 12.323 9.275 1.00 0.00 C ATOM 1596 CG ARG A 108 -10.992 12.104 8.258 1.00 0.00 C ATOM 1597 CD ARG A 108 -11.424 13.412 7.614 1.00 0.00 C ATOM 1598 NE ARG A 108 -12.280 14.201 8.495 1.00 0.00 N ATOM 1599 CZ ARG A 108 -12.440 15.515 8.382 1.00 0.00 C ATOM 1600 NH1 ARG A 108 -11.805 16.183 7.430 1.00 0.00 N ATOM 1601 NH2 ARG A 108 -13.236 16.162 9.223 1.00 0.00 N ATOM 0 H ARG A 108 -9.682 9.840 8.532 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.871 11.373 10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.129 13.192 9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.959 12.555 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.649 11.414 7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.848 11.637 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.541 13.994 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.956 13.201 6.686 1.00 0.00 H new ATOM 0 HE ARG A 108 -12.783 13.717 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.192 15.688 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.929 17.192 7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.726 15.651 9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.358 17.171 9.136 1.00 0.00 H new ATOM 1615 N SER A 109 -11.107 11.424 12.106 1.00 0.00 N ATOM 1616 CA SER A 109 -12.286 11.191 12.931 1.00 0.00 C ATOM 1617 C SER A 109 -12.974 12.508 13.278 1.00 0.00 C ATOM 1618 O SER A 109 -14.196 12.624 13.192 1.00 0.00 O ATOM 1619 CB SER A 109 -11.899 10.452 14.213 1.00 0.00 C ATOM 1620 OG SER A 109 -11.258 9.223 13.919 1.00 0.00 O ATOM 0 H SER A 109 -10.451 12.105 12.490 1.00 0.00 H new ATOM 0 HA SER A 109 -12.982 10.576 12.361 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.236 11.077 14.811 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.790 10.267 14.813 1.00 0.00 H new ATOM 0 HG SER A 109 -11.019 8.771 14.755 1.00 0.00 H new ATOM 1626 N GLY A 110 -12.180 13.499 13.672 1.00 0.00 N ATOM 1627 CA GLY A 110 -12.729 14.794 14.027 1.00 0.00 C ATOM 1628 C GLY A 110 -11.652 15.832 14.273 1.00 0.00 C ATOM 1629 O GLY A 110 -10.628 15.559 14.899 1.00 0.00 O ATOM 0 H GLY A 110 -11.166 13.428 13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.386 15.138 13.228 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.343 14.692 14.922 1.00 0.00 H new ATOM 1633 N PRO A 111 -11.879 17.056 13.772 1.00 0.00 N ATOM 1634 CA PRO A 111 -10.931 18.163 13.928 1.00 0.00 C ATOM 1635 C PRO A 111 -10.852 18.660 15.367 1.00 0.00 C ATOM 1636 O PRO A 111 -11.871 18.798 16.043 1.00 0.00 O ATOM 1637 CB PRO A 111 -11.504 19.252 13.017 1.00 0.00 C ATOM 1638 CG PRO A 111 -12.961 18.950 12.936 1.00 0.00 C ATOM 1639 CD PRO A 111 -13.078 17.452 13.015 1.00 0.00 C ATOM 0 HA PRO A 111 -9.913 17.867 13.673 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.328 20.246 13.429 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.039 19.229 12.031 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -13.505 19.428 13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -13.387 19.326 12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -13.993 17.147 13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -13.096 16.997 12.024 1.00 0.00 H new ATOM 1647 N SER A 112 -9.635 18.929 15.830 1.00 0.00 N ATOM 1648 CA SER A 112 -9.423 19.408 17.191 1.00 0.00 C ATOM 1649 C SER A 112 -8.598 20.691 17.192 1.00 0.00 C ATOM 1650 O SER A 112 -7.368 20.652 17.186 1.00 0.00 O ATOM 1651 CB SER A 112 -8.721 18.336 18.027 1.00 0.00 C ATOM 1652 OG SER A 112 -7.526 17.902 17.402 1.00 0.00 O ATOM 0 H SER A 112 -8.781 18.823 15.282 1.00 0.00 H new ATOM 0 HA SER A 112 -10.397 19.622 17.631 1.00 0.00 H new ATOM 0 HB2 SER A 112 -8.494 18.733 19.016 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.389 17.487 18.170 1.00 0.00 H new ATOM 0 HG SER A 112 -6.974 18.680 17.175 1.00 0.00 H new ATOM 1658 N SER A 113 -9.286 21.829 17.201 1.00 0.00 N ATOM 1659 CA SER A 113 -8.619 23.125 17.199 1.00 0.00 C ATOM 1660 C SER A 113 -9.530 24.205 17.775 1.00 0.00 C ATOM 1661 O SER A 113 -10.582 24.510 17.216 1.00 0.00 O ATOM 1662 CB SER A 113 -8.196 23.504 15.778 1.00 0.00 C ATOM 1663 OG SER A 113 -7.045 24.330 15.792 1.00 0.00 O ATOM 0 H SER A 113 -10.305 21.879 17.210 1.00 0.00 H new ATOM 0 HA SER A 113 -7.731 23.049 17.826 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.992 22.601 15.203 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.014 24.023 15.278 1.00 0.00 H new ATOM 0 HG SER A 113 -6.794 24.557 14.872 1.00 0.00 H new ATOM 1669 N GLY A 114 -9.116 24.782 18.900 1.00 0.00 N ATOM 1670 CA GLY A 114 -9.905 25.821 19.535 1.00 0.00 C ATOM 1671 C GLY A 114 -9.098 27.074 19.811 1.00 0.00 C ATOM 1672 O GLY A 114 -7.896 27.082 19.551 1.00 0.00 O ATOM 0 H GLY A 114 -8.248 24.548 19.382 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.752 26.071 18.896 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.313 25.442 20.472 1.00 0.00 H new TER 1676 GLY A 114 HETATM 1677 ZN ZN A 201 4.941 -10.317 -7.569 1.00 0.00 ZN HETATM 1678 ZN ZN A 401 -7.559 -13.451 -3.382 1.00 0.00 ZN