USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 83 LYS NZ :NH3+ -167:sc= -0.0103 (180deg=-0.182) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.0143 USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 59 SER OG : rot -57:sc= 0.348 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0148 (180deg=-0.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.87 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0614) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.566 USER MOD Single : A 45 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.2) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.2!) USER MOD Single : A 65 MET CE :methyl -179:sc=-0.00117 (180deg=-0.00256) USER MOD Single : A 66 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.3) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 70 HIS : no HD1:sc= -0.682 X(o=-0.68,f=-0.52) USER MOD Single : A 74 HIS : no HD1:sc= -0.766 X(o=-0.77,f=-0.56) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 94 CYS SG : rot 120:sc= -0.523 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 108 THR OG1 : rot 100:sc= 0.692 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.899 -13.725 -43.100 1.00 0.00 N ATOM 2 CA GLY A 1 15.517 -15.008 -42.821 1.00 0.00 C ATOM 3 C GLY A 1 16.405 -14.969 -41.594 1.00 0.00 C ATOM 4 O GLY A 1 17.622 -15.123 -41.696 1.00 0.00 O ATOM 0 H1 GLY A 1 14.302 -13.804 -43.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.313 -13.438 -42.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.638 -13.012 -43.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.740 -15.759 -42.679 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.107 -15.319 -43.683 1.00 0.00 H new ATOM 8 N SER A 2 15.797 -14.761 -40.431 1.00 0.00 N ATOM 9 CA SER A 2 16.542 -14.695 -39.179 1.00 0.00 C ATOM 10 C SER A 2 17.071 -16.072 -38.791 1.00 0.00 C ATOM 11 O SER A 2 16.314 -16.941 -38.357 1.00 0.00 O ATOM 12 CB SER A 2 15.656 -14.143 -38.062 1.00 0.00 C ATOM 13 OG SER A 2 15.609 -12.727 -38.101 1.00 0.00 O ATOM 0 H SER A 2 14.790 -14.635 -40.329 1.00 0.00 H new ATOM 0 HA SER A 2 17.390 -14.026 -39.323 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.648 -14.546 -38.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.038 -14.471 -37.095 1.00 0.00 H new ATOM 0 HG SER A 2 15.035 -12.399 -37.378 1.00 0.00 H new ATOM 19 N SER A 3 18.377 -16.265 -38.950 1.00 0.00 N ATOM 20 CA SER A 3 19.008 -17.536 -38.620 1.00 0.00 C ATOM 21 C SER A 3 18.444 -18.102 -37.319 1.00 0.00 C ATOM 22 O SER A 3 17.921 -19.214 -37.289 1.00 0.00 O ATOM 23 CB SER A 3 20.523 -17.362 -38.498 1.00 0.00 C ATOM 24 OG SER A 3 21.203 -18.562 -38.823 1.00 0.00 O ATOM 0 H SER A 3 19.018 -15.556 -39.306 1.00 0.00 H new ATOM 0 HA SER A 3 18.794 -18.239 -39.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.855 -16.562 -39.160 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.777 -17.061 -37.482 1.00 0.00 H new ATOM 0 HG SER A 3 22.169 -18.423 -38.739 1.00 0.00 H new ATOM 30 N GLY A 4 18.555 -17.325 -36.246 1.00 0.00 N ATOM 31 CA GLY A 4 18.053 -17.764 -34.957 1.00 0.00 C ATOM 32 C GLY A 4 17.815 -16.609 -34.004 1.00 0.00 C ATOM 33 O GLY A 4 18.750 -16.115 -33.373 1.00 0.00 O ATOM 0 H GLY A 4 18.984 -16.399 -36.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.121 -18.311 -35.100 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.765 -18.459 -34.511 1.00 0.00 H new ATOM 37 N SER A 5 16.562 -16.179 -33.899 1.00 0.00 N ATOM 38 CA SER A 5 16.205 -15.071 -33.020 1.00 0.00 C ATOM 39 C SER A 5 15.374 -15.562 -31.839 1.00 0.00 C ATOM 40 O SER A 5 15.010 -16.735 -31.767 1.00 0.00 O ATOM 41 CB SER A 5 15.431 -14.005 -33.797 1.00 0.00 C ATOM 42 OG SER A 5 16.293 -13.259 -34.637 1.00 0.00 O ATOM 0 H SER A 5 15.777 -16.581 -34.411 1.00 0.00 H new ATOM 0 HA SER A 5 17.126 -14.632 -32.636 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.655 -14.480 -34.397 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.929 -13.335 -33.099 1.00 0.00 H new ATOM 0 HG SER A 5 15.773 -12.586 -35.124 1.00 0.00 H new ATOM 48 N SER A 6 15.077 -14.653 -30.915 1.00 0.00 N ATOM 49 CA SER A 6 14.292 -14.992 -29.735 1.00 0.00 C ATOM 50 C SER A 6 12.951 -14.267 -29.747 1.00 0.00 C ATOM 51 O SER A 6 12.498 -13.756 -28.723 1.00 0.00 O ATOM 52 CB SER A 6 15.065 -14.639 -28.462 1.00 0.00 C ATOM 53 OG SER A 6 15.377 -13.257 -28.423 1.00 0.00 O ATOM 0 H SER A 6 15.368 -13.677 -30.962 1.00 0.00 H new ATOM 0 HA SER A 6 14.104 -16.066 -29.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.473 -14.906 -27.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.984 -15.224 -28.416 1.00 0.00 H new ATOM 0 HG SER A 6 15.869 -13.056 -27.600 1.00 0.00 H new ATOM 59 N GLY A 7 12.318 -14.223 -30.915 1.00 0.00 N ATOM 60 CA GLY A 7 11.035 -13.558 -31.042 1.00 0.00 C ATOM 61 C GLY A 7 11.173 -12.054 -31.171 1.00 0.00 C ATOM 62 O GLY A 7 11.331 -11.351 -30.175 1.00 0.00 O ATOM 0 H GLY A 7 12.672 -14.637 -31.777 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.512 -13.948 -31.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.421 -13.790 -30.172 1.00 0.00 H new ATOM 66 N GLU A 8 11.112 -11.560 -32.405 1.00 0.00 N ATOM 67 CA GLU A 8 11.235 -10.130 -32.660 1.00 0.00 C ATOM 68 C GLU A 8 10.326 -9.332 -31.730 1.00 0.00 C ATOM 69 O GLU A 8 10.520 -8.131 -31.534 1.00 0.00 O ATOM 70 CB GLU A 8 10.890 -9.819 -34.119 1.00 0.00 C ATOM 71 CG GLU A 8 12.019 -10.122 -35.089 1.00 0.00 C ATOM 72 CD GLU A 8 13.228 -9.233 -34.872 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.181 -8.056 -35.286 1.00 0.00 O ATOM 74 OE2 GLU A 8 14.222 -9.715 -34.289 1.00 0.00 O ATOM 0 H GLU A 8 10.978 -12.128 -33.241 1.00 0.00 H new ATOM 0 HA GLU A 8 12.268 -9.839 -32.468 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.011 -10.396 -34.406 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.622 -8.766 -34.204 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.316 -11.165 -34.981 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.659 -9.997 -36.110 1.00 0.00 H new ATOM 81 N VAL A 9 9.332 -10.006 -31.160 1.00 0.00 N ATOM 82 CA VAL A 9 8.394 -9.362 -30.250 1.00 0.00 C ATOM 83 C VAL A 9 7.453 -10.381 -29.617 1.00 0.00 C ATOM 84 O VAL A 9 7.040 -11.345 -30.262 1.00 0.00 O ATOM 85 CB VAL A 9 7.558 -8.288 -30.973 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.362 -8.660 -32.435 1.00 0.00 C ATOM 87 CG2 VAL A 9 6.219 -8.099 -30.278 1.00 0.00 C ATOM 0 H VAL A 9 9.156 -10.999 -31.313 1.00 0.00 H new ATOM 0 HA VAL A 9 8.988 -8.886 -29.469 1.00 0.00 H new ATOM 0 HB VAL A 9 8.099 -7.342 -30.933 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.770 -7.891 -32.930 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.333 -8.740 -32.923 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.843 -9.616 -32.501 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.642 -7.337 -30.802 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.669 -9.040 -30.286 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.385 -7.784 -29.248 1.00 0.00 H new ATOM 97 N LEU A 10 7.119 -10.161 -28.350 1.00 0.00 N ATOM 98 CA LEU A 10 6.226 -11.061 -27.628 1.00 0.00 C ATOM 99 C LEU A 10 5.180 -10.276 -26.842 1.00 0.00 C ATOM 100 O LEU A 10 5.444 -9.812 -25.733 1.00 0.00 O ATOM 101 CB LEU A 10 7.027 -11.956 -26.681 1.00 0.00 C ATOM 102 CG LEU A 10 6.325 -13.227 -26.203 1.00 0.00 C ATOM 103 CD1 LEU A 10 7.339 -14.232 -25.681 1.00 0.00 C ATOM 104 CD2 LEU A 10 5.297 -12.897 -25.131 1.00 0.00 C ATOM 0 H LEU A 10 7.453 -9.368 -27.802 1.00 0.00 H new ATOM 0 HA LEU A 10 5.712 -11.685 -28.359 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.953 -12.242 -27.180 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.305 -11.368 -25.806 1.00 0.00 H new ATOM 0 HG LEU A 10 5.805 -13.673 -27.051 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.821 -15.130 -25.345 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.037 -14.492 -26.477 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.887 -13.796 -24.846 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.807 -13.814 -24.802 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.794 -12.427 -24.282 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.552 -12.214 -25.539 1.00 0.00 H new ATOM 116 N ALA A 11 3.994 -10.133 -27.423 1.00 0.00 N ATOM 117 CA ALA A 11 2.909 -9.408 -26.776 1.00 0.00 C ATOM 118 C ALA A 11 1.863 -10.368 -26.218 1.00 0.00 C ATOM 119 O ALA A 11 0.834 -9.945 -25.692 1.00 0.00 O ATOM 120 CB ALA A 11 2.266 -8.436 -27.754 1.00 0.00 C ATOM 0 H ALA A 11 3.760 -10.510 -28.341 1.00 0.00 H new ATOM 0 HA ALA A 11 3.329 -8.844 -25.943 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.457 -7.901 -27.257 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.013 -7.722 -28.102 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.867 -8.987 -28.606 1.00 0.00 H new ATOM 126 N LYS A 12 2.134 -11.664 -26.336 1.00 0.00 N ATOM 127 CA LYS A 12 1.217 -12.685 -25.843 1.00 0.00 C ATOM 128 C LYS A 12 1.495 -13.004 -24.378 1.00 0.00 C ATOM 129 O LYS A 12 1.154 -14.082 -23.893 1.00 0.00 O ATOM 130 CB LYS A 12 1.339 -13.958 -26.686 1.00 0.00 C ATOM 131 CG LYS A 12 2.733 -14.562 -26.675 1.00 0.00 C ATOM 132 CD LYS A 12 2.900 -15.562 -25.544 1.00 0.00 C ATOM 133 CE LYS A 12 4.108 -16.458 -25.765 1.00 0.00 C ATOM 134 NZ LYS A 12 3.883 -17.428 -26.871 1.00 0.00 N ATOM 0 H LYS A 12 2.981 -12.032 -26.769 1.00 0.00 H new ATOM 0 HA LYS A 12 0.202 -12.297 -25.925 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.628 -14.698 -26.317 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.058 -13.731 -27.715 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.924 -15.055 -27.628 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.473 -13.769 -26.572 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.009 -15.029 -24.599 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.002 -16.174 -25.463 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.979 -15.844 -25.992 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.331 -17.000 -24.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.584 -18.194 -26.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.926 -17.827 -26.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.982 -16.942 -27.785 1.00 0.00 H new ATOM 148 N GLU A 13 2.115 -12.058 -23.678 1.00 0.00 N ATOM 149 CA GLU A 13 2.436 -12.240 -22.268 1.00 0.00 C ATOM 150 C GLU A 13 1.694 -11.223 -21.406 1.00 0.00 C ATOM 151 O GLU A 13 1.720 -10.024 -21.682 1.00 0.00 O ATOM 152 CB GLU A 13 3.945 -12.110 -22.046 1.00 0.00 C ATOM 153 CG GLU A 13 4.532 -10.821 -22.594 1.00 0.00 C ATOM 154 CD GLU A 13 5.840 -10.444 -21.925 1.00 0.00 C ATOM 155 OE1 GLU A 13 6.623 -11.361 -21.596 1.00 0.00 O ATOM 156 OE2 GLU A 13 6.082 -9.236 -21.731 1.00 0.00 O ATOM 0 H GLU A 13 2.404 -11.159 -24.064 1.00 0.00 H new ATOM 0 HA GLU A 13 2.117 -13.240 -21.974 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.153 -12.169 -20.978 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.447 -12.956 -22.515 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.694 -10.927 -23.667 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.813 -10.013 -22.459 1.00 0.00 H new ATOM 163 N GLU A 14 1.035 -11.712 -20.360 1.00 0.00 N ATOM 164 CA GLU A 14 0.284 -10.845 -19.458 1.00 0.00 C ATOM 165 C GLU A 14 0.203 -11.455 -18.062 1.00 0.00 C ATOM 166 O GLU A 14 0.301 -12.670 -17.896 1.00 0.00 O ATOM 167 CB GLU A 14 -1.124 -10.601 -20.003 1.00 0.00 C ATOM 168 CG GLU A 14 -1.141 -9.992 -21.395 1.00 0.00 C ATOM 169 CD GLU A 14 -0.937 -11.025 -22.487 1.00 0.00 C ATOM 170 OE1 GLU A 14 -1.327 -12.192 -22.280 1.00 0.00 O ATOM 171 OE2 GLU A 14 -0.385 -10.664 -23.548 1.00 0.00 O ATOM 0 H GLU A 14 1.006 -12.702 -20.116 1.00 0.00 H new ATOM 0 HA GLU A 14 0.808 -9.892 -19.390 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.666 -11.547 -20.023 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.659 -9.941 -19.320 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.092 -9.484 -21.554 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.360 -9.235 -21.466 1.00 0.00 H new ATOM 178 N ALA A 15 0.022 -10.600 -17.059 1.00 0.00 N ATOM 179 CA ALA A 15 -0.074 -11.054 -15.677 1.00 0.00 C ATOM 180 C ALA A 15 -1.309 -10.474 -14.994 1.00 0.00 C ATOM 181 O ALA A 15 -1.267 -9.373 -14.447 1.00 0.00 O ATOM 182 CB ALA A 15 1.183 -10.675 -14.908 1.00 0.00 C ATOM 0 H ALA A 15 -0.061 -9.590 -17.178 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.169 -12.140 -15.683 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.097 -11.020 -13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.050 -11.141 -15.376 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.303 -9.592 -14.919 1.00 0.00 H new ATOM 188 N ARG A 16 -2.406 -11.224 -15.032 1.00 0.00 N ATOM 189 CA ARG A 16 -3.653 -10.783 -14.418 1.00 0.00 C ATOM 190 C ARG A 16 -3.678 -11.127 -12.932 1.00 0.00 C ATOM 191 O ARG A 16 -4.744 -11.205 -12.320 1.00 0.00 O ATOM 192 CB ARG A 16 -4.848 -11.427 -15.122 1.00 0.00 C ATOM 193 CG ARG A 16 -6.132 -10.622 -15.002 1.00 0.00 C ATOM 194 CD ARG A 16 -6.272 -9.624 -16.141 1.00 0.00 C ATOM 195 NE ARG A 16 -6.384 -10.286 -17.439 1.00 0.00 N ATOM 196 CZ ARG A 16 -6.960 -9.730 -18.499 1.00 0.00 C ATOM 197 NH1 ARG A 16 -7.474 -8.511 -18.417 1.00 0.00 N ATOM 198 NH2 ARG A 16 -7.023 -10.396 -19.646 1.00 0.00 N ATOM 0 H ARG A 16 -2.457 -12.139 -15.481 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.718 -9.700 -14.524 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.609 -11.559 -16.177 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.012 -12.421 -14.705 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.988 -11.297 -15.001 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.143 -10.093 -14.049 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.153 -9.004 -15.973 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.409 -8.958 -16.147 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.999 -11.226 -17.536 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.428 -7.996 -17.538 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.915 -8.088 -19.233 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.629 -11.334 -19.713 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.465 -9.969 -20.460 1.00 0.00 H new ATOM 212 N ARG A 17 -2.498 -11.333 -12.356 1.00 0.00 N ATOM 213 CA ARG A 17 -2.386 -11.670 -10.943 1.00 0.00 C ATOM 214 C ARG A 17 -2.230 -10.411 -10.094 1.00 0.00 C ATOM 215 O ARG A 17 -1.237 -10.246 -9.386 1.00 0.00 O ATOM 216 CB ARG A 17 -1.195 -12.602 -10.713 1.00 0.00 C ATOM 217 CG ARG A 17 -1.443 -14.030 -11.172 1.00 0.00 C ATOM 218 CD ARG A 17 -2.420 -14.749 -10.254 1.00 0.00 C ATOM 219 NE ARG A 17 -3.044 -15.896 -10.909 1.00 0.00 N ATOM 220 CZ ARG A 17 -2.486 -17.099 -10.971 1.00 0.00 C ATOM 221 NH1 ARG A 17 -1.298 -17.313 -10.420 1.00 0.00 N ATOM 222 NH2 ARG A 17 -3.116 -18.093 -11.584 1.00 0.00 N ATOM 0 H ARG A 17 -1.606 -11.272 -12.847 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.302 -12.179 -10.643 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.327 -12.205 -11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.949 -12.608 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.835 -14.023 -12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.499 -14.574 -11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.897 -15.084 -9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.193 -14.052 -9.930 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.958 -15.765 -11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.811 -16.552 -9.947 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.872 -18.239 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.030 -17.933 -12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.686 -19.017 -11.631 1.00 0.00 H new ATOM 236 N ALA A 18 -3.218 -9.525 -10.171 1.00 0.00 N ATOM 237 CA ALA A 18 -3.192 -8.283 -9.410 1.00 0.00 C ATOM 238 C ALA A 18 -4.330 -8.237 -8.396 1.00 0.00 C ATOM 239 O ALA A 18 -4.991 -7.211 -8.235 1.00 0.00 O ATOM 240 CB ALA A 18 -3.269 -7.088 -10.347 1.00 0.00 C ATOM 0 H ALA A 18 -4.047 -9.645 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.250 -8.241 -8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.249 -6.167 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.419 -7.105 -11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.195 -7.134 -10.920 1.00 0.00 H new ATOM 246 N LEU A 19 -4.554 -9.355 -7.714 1.00 0.00 N ATOM 247 CA LEU A 19 -5.613 -9.443 -6.715 1.00 0.00 C ATOM 248 C LEU A 19 -5.031 -9.470 -5.305 1.00 0.00 C ATOM 249 O LEU A 19 -5.422 -8.681 -4.446 1.00 0.00 O ATOM 250 CB LEU A 19 -6.463 -10.691 -6.952 1.00 0.00 C ATOM 251 CG LEU A 19 -7.241 -10.734 -8.268 1.00 0.00 C ATOM 252 CD1 LEU A 19 -6.364 -11.270 -9.389 1.00 0.00 C ATOM 253 CD2 LEU A 19 -8.496 -11.580 -8.119 1.00 0.00 C ATOM 0 H LEU A 19 -4.016 -10.213 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.243 -8.559 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.811 -11.563 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.173 -10.784 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.541 -9.718 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.934 -11.293 -10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.496 -10.623 -9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.033 -12.278 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.037 -11.599 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.219 -12.596 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.134 -11.152 -7.345 1.00 0.00 H new ATOM 265 N GLU A 20 -4.092 -10.384 -5.076 1.00 0.00 N ATOM 266 CA GLU A 20 -3.455 -10.512 -3.770 1.00 0.00 C ATOM 267 C GLU A 20 -3.272 -9.146 -3.116 1.00 0.00 C ATOM 268 O GLU A 20 -3.778 -8.894 -2.022 1.00 0.00 O ATOM 269 CB GLU A 20 -2.100 -11.211 -3.905 1.00 0.00 C ATOM 270 CG GLU A 20 -2.209 -12.691 -4.233 1.00 0.00 C ATOM 271 CD GLU A 20 -0.987 -13.476 -3.796 1.00 0.00 C ATOM 272 OE1 GLU A 20 -0.577 -13.334 -2.625 1.00 0.00 O ATOM 273 OE2 GLU A 20 -0.441 -14.232 -4.626 1.00 0.00 O ATOM 0 H GLU A 20 -3.756 -11.045 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.105 -11.114 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.521 -10.716 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.546 -11.094 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.094 -13.103 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.349 -12.812 -5.307 1.00 0.00 H new ATOM 280 N THR A 21 -2.544 -8.264 -3.796 1.00 0.00 N ATOM 281 CA THR A 21 -2.292 -6.924 -3.282 1.00 0.00 C ATOM 282 C THR A 21 -2.350 -5.887 -4.398 1.00 0.00 C ATOM 283 O THR A 21 -2.073 -6.177 -5.563 1.00 0.00 O ATOM 284 CB THR A 21 -0.919 -6.837 -2.588 1.00 0.00 C ATOM 285 OG1 THR A 21 0.096 -6.526 -3.547 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.581 -8.147 -1.892 1.00 0.00 C ATOM 0 H THR A 21 -2.119 -8.455 -4.704 1.00 0.00 H new ATOM 0 HA THR A 21 -3.074 -6.714 -2.552 1.00 0.00 H new ATOM 0 HB THR A 21 -0.965 -6.046 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.965 -6.471 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.393 -8.062 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.340 -8.367 -1.141 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.553 -8.952 -2.626 1.00 0.00 H new ATOM 294 N PRO A 22 -2.716 -4.649 -4.038 1.00 0.00 N ATOM 295 CA PRO A 22 -2.819 -3.543 -4.995 1.00 0.00 C ATOM 296 C PRO A 22 -1.455 -3.095 -5.510 1.00 0.00 C ATOM 297 O PRO A 22 -0.513 -2.928 -4.737 1.00 0.00 O ATOM 298 CB PRO A 22 -3.476 -2.427 -4.180 1.00 0.00 C ATOM 299 CG PRO A 22 -3.121 -2.732 -2.766 1.00 0.00 C ATOM 300 CD PRO A 22 -3.061 -4.231 -2.669 1.00 0.00 C ATOM 0 HA PRO A 22 -3.381 -3.825 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.104 -1.447 -4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.556 -2.415 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.163 -2.285 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.865 -2.326 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.311 -4.557 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.014 -4.651 -2.349 1.00 0.00 H new ATOM 308 N SER A 23 -1.357 -2.901 -6.821 1.00 0.00 N ATOM 309 CA SER A 23 -0.108 -2.475 -7.441 1.00 0.00 C ATOM 310 C SER A 23 0.609 -1.450 -6.567 1.00 0.00 C ATOM 311 O SER A 23 1.794 -1.595 -6.265 1.00 0.00 O ATOM 312 CB SER A 23 -0.375 -1.884 -8.826 1.00 0.00 C ATOM 313 OG SER A 23 -1.124 -2.782 -9.627 1.00 0.00 O ATOM 0 H SER A 23 -2.129 -3.032 -7.475 1.00 0.00 H new ATOM 0 HA SER A 23 0.533 -3.350 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.916 -0.943 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.571 -1.657 -9.317 1.00 0.00 H new ATOM 0 HG SER A 23 -1.283 -2.381 -10.507 1.00 0.00 H new ATOM 319 N CYS A 24 -0.118 -0.414 -6.165 1.00 0.00 N ATOM 320 CA CYS A 24 0.447 0.638 -5.327 1.00 0.00 C ATOM 321 C CYS A 24 1.370 0.049 -4.266 1.00 0.00 C ATOM 322 O CYS A 24 2.464 0.563 -4.024 1.00 0.00 O ATOM 323 CB CYS A 24 -0.669 1.442 -4.659 1.00 0.00 C ATOM 324 SG CYS A 24 -1.670 0.489 -3.492 1.00 0.00 S ATOM 0 H CYS A 24 -1.100 -0.280 -6.406 1.00 0.00 H new ATOM 0 HA CYS A 24 1.031 1.302 -5.964 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.228 2.290 -4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.321 1.850 -5.432 1.00 0.00 H new ATOM 0 HG CYS A 24 -2.585 1.256 -2.978 1.00 0.00 H new ATOM 330 N PHE A 25 0.923 -1.029 -3.631 1.00 0.00 N ATOM 331 CA PHE A 25 1.709 -1.687 -2.594 1.00 0.00 C ATOM 332 C PHE A 25 3.158 -1.863 -3.037 1.00 0.00 C ATOM 333 O PHE A 25 3.449 -1.945 -4.231 1.00 0.00 O ATOM 334 CB PHE A 25 1.101 -3.047 -2.249 1.00 0.00 C ATOM 335 CG PHE A 25 1.988 -3.900 -1.388 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.960 -4.709 -1.957 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.852 -3.893 -0.008 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.776 -5.495 -1.167 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.667 -4.677 0.787 1.00 0.00 C ATOM 340 CZ PHE A 25 3.631 -5.477 0.206 1.00 0.00 C ATOM 0 H PHE A 25 0.020 -1.466 -3.816 1.00 0.00 H new ATOM 0 HA PHE A 25 1.694 -1.054 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.151 -2.892 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.881 -3.582 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.080 -4.725 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.101 -3.268 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.527 -6.123 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.550 -4.664 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.271 -6.088 0.825 1.00 0.00 H new ATOM 350 N LEU A 26 4.065 -1.918 -2.067 1.00 0.00 N ATOM 351 CA LEU A 26 5.485 -2.083 -2.356 1.00 0.00 C ATOM 352 C LEU A 26 6.199 -2.776 -1.200 1.00 0.00 C ATOM 353 O LEU A 26 5.793 -2.656 -0.044 1.00 0.00 O ATOM 354 CB LEU A 26 6.132 -0.724 -2.629 1.00 0.00 C ATOM 355 CG LEU A 26 5.424 0.489 -2.024 1.00 0.00 C ATOM 356 CD1 LEU A 26 5.462 0.425 -0.505 1.00 0.00 C ATOM 357 CD2 LEU A 26 6.060 1.780 -2.520 1.00 0.00 C ATOM 0 H LEU A 26 3.842 -1.851 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 26 5.579 -2.708 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.154 -0.748 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.193 -0.583 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 26 4.382 0.474 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.954 1.296 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.961 -0.482 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.498 0.415 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.544 2.633 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.111 1.803 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.982 1.830 -3.606 1.00 0.00 H new ATOM 369 N LYS A 27 7.267 -3.500 -1.519 1.00 0.00 N ATOM 370 CA LYS A 27 8.041 -4.209 -0.508 1.00 0.00 C ATOM 371 C LYS A 27 9.181 -3.340 0.013 1.00 0.00 C ATOM 372 O LYS A 27 10.190 -3.149 -0.666 1.00 0.00 O ATOM 373 CB LYS A 27 8.600 -5.511 -1.084 1.00 0.00 C ATOM 374 CG LYS A 27 7.538 -6.563 -1.354 1.00 0.00 C ATOM 375 CD LYS A 27 6.970 -6.437 -2.758 1.00 0.00 C ATOM 376 CE LYS A 27 6.139 -7.653 -3.135 1.00 0.00 C ATOM 377 NZ LYS A 27 6.992 -8.836 -3.433 1.00 0.00 N ATOM 0 H LYS A 27 7.616 -3.611 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 27 7.377 -4.443 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.126 -5.291 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.335 -5.919 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.967 -7.556 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.734 -6.464 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.354 -5.540 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.785 -6.317 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.456 -7.893 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.526 -7.419 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.407 -9.590 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.737 -8.566 -4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.429 -9.179 -2.554 1.00 0.00 H new ATOM 391 N VAL A 28 9.016 -2.817 1.224 1.00 0.00 N ATOM 392 CA VAL A 28 10.032 -1.972 1.837 1.00 0.00 C ATOM 393 C VAL A 28 9.973 -2.055 3.358 1.00 0.00 C ATOM 394 O VAL A 28 9.042 -2.630 3.922 1.00 0.00 O ATOM 395 CB VAL A 28 9.872 -0.501 1.408 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.620 -0.405 -0.089 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.747 0.162 2.189 1.00 0.00 C ATOM 0 H VAL A 28 8.187 -2.964 1.800 1.00 0.00 H new ATOM 0 HA VAL A 28 10.999 -2.341 1.494 1.00 0.00 H new ATOM 0 HB VAL A 28 10.799 0.027 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.510 0.642 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.461 -0.841 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.708 -0.947 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.648 1.201 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.812 -0.366 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.974 0.127 3.255 1.00 0.00 H new ATOM 407 N SER A 29 10.971 -1.476 4.017 1.00 0.00 N ATOM 408 CA SER A 29 11.035 -1.488 5.473 1.00 0.00 C ATOM 409 C SER A 29 10.141 -0.402 6.065 1.00 0.00 C ATOM 410 O SER A 29 9.699 0.506 5.360 1.00 0.00 O ATOM 411 CB SER A 29 12.477 -1.287 5.944 1.00 0.00 C ATOM 412 OG SER A 29 13.342 -2.246 5.359 1.00 0.00 O ATOM 0 H SER A 29 11.747 -0.992 3.565 1.00 0.00 H new ATOM 0 HA SER A 29 10.679 -2.458 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.812 -0.283 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.523 -1.366 7.030 1.00 0.00 H new ATOM 0 HG SER A 29 14.258 -2.096 5.674 1.00 0.00 H new ATOM 418 N ARG A 30 9.878 -0.503 7.364 1.00 0.00 N ATOM 419 CA ARG A 30 9.035 0.469 8.051 1.00 0.00 C ATOM 420 C ARG A 30 9.503 1.892 7.763 1.00 0.00 C ATOM 421 O ARG A 30 8.693 2.816 7.671 1.00 0.00 O ATOM 422 CB ARG A 30 9.048 0.210 9.558 1.00 0.00 C ATOM 423 CG ARG A 30 10.442 0.211 10.165 1.00 0.00 C ATOM 424 CD ARG A 30 10.400 0.495 11.658 1.00 0.00 C ATOM 425 NE ARG A 30 9.612 -0.498 12.382 1.00 0.00 N ATOM 426 CZ ARG A 30 9.628 -0.627 13.704 1.00 0.00 C ATOM 427 NH1 ARG A 30 10.387 0.170 14.443 1.00 0.00 N ATOM 428 NH2 ARG A 30 8.882 -1.555 14.290 1.00 0.00 N ATOM 0 H ARG A 30 10.236 -1.248 7.962 1.00 0.00 H new ATOM 0 HA ARG A 30 8.016 0.358 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.445 0.970 10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.575 -0.752 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.916 -0.755 9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.056 0.962 9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.416 0.510 12.053 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.978 1.486 11.827 1.00 0.00 H new ATOM 0 HE ARG A 30 9.017 -1.127 11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.961 0.885 13.997 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.397 0.068 15.458 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.296 -2.170 13.725 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.895 -1.654 15.305 1.00 0.00 H new ATOM 442 N LEU A 31 10.812 2.063 7.625 1.00 0.00 N ATOM 443 CA LEU A 31 11.388 3.375 7.348 1.00 0.00 C ATOM 444 C LEU A 31 11.393 3.662 5.850 1.00 0.00 C ATOM 445 O LEU A 31 10.884 4.689 5.405 1.00 0.00 O ATOM 446 CB LEU A 31 12.813 3.454 7.899 1.00 0.00 C ATOM 447 CG LEU A 31 12.946 3.924 9.349 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.360 3.689 9.858 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.571 5.394 9.469 1.00 0.00 C ATOM 0 H LEU A 31 11.496 1.310 7.700 1.00 0.00 H new ATOM 0 HA LEU A 31 10.772 4.127 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.269 2.468 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.390 4.128 7.265 1.00 0.00 H new ATOM 0 HG LEU A 31 12.259 3.343 9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.436 4.029 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.593 2.625 9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.066 4.244 9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.671 5.712 10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.233 5.991 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.540 5.534 9.145 1.00 0.00 H new ATOM 461 N GLU A 32 11.971 2.747 5.079 1.00 0.00 N ATOM 462 CA GLU A 32 12.040 2.902 3.631 1.00 0.00 C ATOM 463 C GLU A 32 10.763 3.537 3.089 1.00 0.00 C ATOM 464 O GLU A 32 10.807 4.384 2.198 1.00 0.00 O ATOM 465 CB GLU A 32 12.274 1.547 2.960 1.00 0.00 C ATOM 466 CG GLU A 32 13.648 0.960 3.237 1.00 0.00 C ATOM 467 CD GLU A 32 14.734 1.589 2.385 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.877 1.186 1.212 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.438 2.486 2.893 1.00 0.00 O ATOM 0 H GLU A 32 12.398 1.891 5.433 1.00 0.00 H new ATOM 0 HA GLU A 32 12.877 3.561 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.513 0.846 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.146 1.657 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.892 1.098 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.624 -0.114 3.053 1.00 0.00 H new ATOM 476 N ALA A 33 9.625 3.120 3.636 1.00 0.00 N ATOM 477 CA ALA A 33 8.335 3.646 3.209 1.00 0.00 C ATOM 478 C ALA A 33 8.149 5.087 3.674 1.00 0.00 C ATOM 479 O ALA A 33 7.768 5.957 2.892 1.00 0.00 O ATOM 480 CB ALA A 33 7.207 2.772 3.735 1.00 0.00 C ATOM 0 H ALA A 33 9.571 2.420 4.376 1.00 0.00 H new ATOM 0 HA ALA A 33 8.310 3.636 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.250 3.178 3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.322 1.759 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.240 2.752 4.824 1.00 0.00 H new ATOM 486 N GLN A 34 8.421 5.331 4.953 1.00 0.00 N ATOM 487 CA GLN A 34 8.283 6.666 5.522 1.00 0.00 C ATOM 488 C GLN A 34 9.138 7.674 4.760 1.00 0.00 C ATOM 489 O GLN A 34 8.647 8.716 4.325 1.00 0.00 O ATOM 490 CB GLN A 34 8.678 6.658 6.999 1.00 0.00 C ATOM 491 CG GLN A 34 8.038 7.775 7.807 1.00 0.00 C ATOM 492 CD GLN A 34 8.457 9.152 7.332 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.620 9.536 7.453 1.00 0.00 O ATOM 494 NE2 GLN A 34 7.508 9.905 6.787 1.00 0.00 N ATOM 0 H GLN A 34 8.738 4.621 5.614 1.00 0.00 H new ATOM 0 HA GLN A 34 7.238 6.964 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.399 5.699 7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.762 6.740 7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.953 7.688 7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.307 7.659 8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.556 9.547 6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.731 10.841 6.449 1.00 0.00 H new ATOM 503 N LEU A 35 10.418 7.357 4.604 1.00 0.00 N ATOM 504 CA LEU A 35 11.343 8.235 3.895 1.00 0.00 C ATOM 505 C LEU A 35 10.931 8.395 2.436 1.00 0.00 C ATOM 506 O LEU A 35 11.151 9.444 1.829 1.00 0.00 O ATOM 507 CB LEU A 35 12.767 7.681 3.977 1.00 0.00 C ATOM 508 CG LEU A 35 13.097 6.534 3.021 1.00 0.00 C ATOM 509 CD1 LEU A 35 13.419 7.071 1.635 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.257 5.709 3.558 1.00 0.00 C ATOM 0 H LEU A 35 10.840 6.499 4.959 1.00 0.00 H new ATOM 0 HA LEU A 35 11.313 9.215 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.464 8.497 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.945 7.340 4.997 1.00 0.00 H new ATOM 0 HG LEU A 35 12.223 5.887 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.651 6.241 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.559 7.618 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.278 7.740 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.478 4.897 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.136 6.344 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.989 5.294 4.529 1.00 0.00 H new ATOM 522 N LEU A 36 10.329 7.350 1.878 1.00 0.00 N ATOM 523 CA LEU A 36 9.883 7.376 0.489 1.00 0.00 C ATOM 524 C LEU A 36 8.801 8.431 0.284 1.00 0.00 C ATOM 525 O LEU A 36 8.708 9.042 -0.781 1.00 0.00 O ATOM 526 CB LEU A 36 9.354 6.001 0.078 1.00 0.00 C ATOM 527 CG LEU A 36 10.380 5.040 -0.525 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.796 3.640 -0.641 1.00 0.00 C ATOM 529 CD2 LEU A 36 10.846 5.540 -1.884 1.00 0.00 C ATOM 0 H LEU A 36 10.139 6.475 2.366 1.00 0.00 H new ATOM 0 HA LEU A 36 10.738 7.633 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.913 5.527 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.551 6.144 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 36 11.243 4.998 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.540 2.970 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.514 3.280 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.915 3.665 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.575 4.844 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.992 5.613 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.305 6.522 -1.772 1.00 0.00 H new ATOM 541 N LEU A 37 7.986 8.643 1.312 1.00 0.00 N ATOM 542 CA LEU A 37 6.911 9.627 1.245 1.00 0.00 C ATOM 543 C LEU A 37 7.469 11.046 1.288 1.00 0.00 C ATOM 544 O LEU A 37 7.361 11.794 0.317 1.00 0.00 O ATOM 545 CB LEU A 37 5.930 9.418 2.400 1.00 0.00 C ATOM 546 CG LEU A 37 5.140 8.108 2.382 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.288 7.981 3.634 1.00 0.00 C ATOM 548 CD2 LEU A 37 4.273 8.026 1.133 1.00 0.00 C ATOM 0 H LEU A 37 8.049 8.147 2.201 1.00 0.00 H new ATOM 0 HA LEU A 37 6.385 9.491 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.486 9.471 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.221 10.246 2.403 1.00 0.00 H new ATOM 0 HG LEU A 37 5.848 7.279 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.733 7.043 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.931 7.994 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.588 8.815 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.718 7.088 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.573 8.862 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.906 8.070 0.247 1.00 0.00 H new ATOM 560 N GLU A 38 8.066 11.408 2.419 1.00 0.00 N ATOM 561 CA GLU A 38 8.641 12.737 2.586 1.00 0.00 C ATOM 562 C GLU A 38 9.347 13.189 1.311 1.00 0.00 C ATOM 563 O GLU A 38 9.341 14.373 0.971 1.00 0.00 O ATOM 564 CB GLU A 38 9.626 12.747 3.757 1.00 0.00 C ATOM 565 CG GLU A 38 10.892 11.949 3.494 1.00 0.00 C ATOM 566 CD GLU A 38 11.986 12.239 4.505 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.775 11.961 5.703 1.00 0.00 O ATOM 568 OE2 GLU A 38 13.052 12.743 4.095 1.00 0.00 O ATOM 0 H GLU A 38 8.164 10.800 3.232 1.00 0.00 H new ATOM 0 HA GLU A 38 7.828 13.432 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.897 13.778 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.131 12.346 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.657 10.885 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.258 12.176 2.493 1.00 0.00 H new ATOM 575 N ARG A 39 9.953 12.238 0.608 1.00 0.00 N ATOM 576 CA ARG A 39 10.664 12.538 -0.629 1.00 0.00 C ATOM 577 C ARG A 39 9.685 12.828 -1.762 1.00 0.00 C ATOM 578 O ARG A 39 9.799 13.843 -2.450 1.00 0.00 O ATOM 579 CB ARG A 39 11.575 11.370 -1.014 1.00 0.00 C ATOM 580 CG ARG A 39 12.915 11.381 -0.295 1.00 0.00 C ATOM 581 CD ARG A 39 13.977 10.634 -1.086 1.00 0.00 C ATOM 582 NE ARG A 39 15.329 11.030 -0.696 1.00 0.00 N ATOM 583 CZ ARG A 39 15.975 10.513 0.342 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.397 9.585 1.092 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.203 10.925 0.633 1.00 0.00 N ATOM 0 H ARG A 39 9.966 11.253 0.874 1.00 0.00 H new ATOM 0 HA ARG A 39 11.273 13.426 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.063 10.433 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.749 11.395 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.235 12.411 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.805 10.925 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.855 9.562 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.836 10.823 -2.150 1.00 0.00 H new ATOM 0 HE ARG A 39 15.802 11.743 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.453 9.266 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.896 9.190 1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.651 11.639 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.699 10.527 1.431 1.00 0.00 H new ATOM 599 N TYR A 40 8.725 11.929 -1.952 1.00 0.00 N ATOM 600 CA TYR A 40 7.728 12.087 -3.003 1.00 0.00 C ATOM 601 C TYR A 40 6.337 12.292 -2.410 1.00 0.00 C ATOM 602 O TYR A 40 5.503 11.388 -2.391 1.00 0.00 O ATOM 603 CB TYR A 40 7.726 10.865 -3.922 1.00 0.00 C ATOM 604 CG TYR A 40 9.092 10.520 -4.473 1.00 0.00 C ATOM 605 CD1 TYR A 40 10.003 9.791 -3.718 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.472 10.924 -5.747 1.00 0.00 C ATOM 607 CE1 TYR A 40 11.252 9.474 -4.217 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.718 10.610 -6.254 1.00 0.00 C ATOM 609 CZ TYR A 40 11.605 9.886 -5.486 1.00 0.00 C ATOM 610 OH TYR A 40 12.848 9.573 -5.987 1.00 0.00 O ATOM 0 H TYR A 40 8.617 11.084 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 40 7.989 12.971 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.338 10.008 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.044 11.046 -4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.730 9.467 -2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.781 11.493 -6.351 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.948 8.907 -3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.996 10.930 -7.247 1.00 0.00 H new ATOM 0 HH TYR A 40 12.937 9.936 -6.893 1.00 0.00 H new ATOM 620 N PRO A 41 6.081 13.512 -1.913 1.00 0.00 N ATOM 621 CA PRO A 41 4.793 13.866 -1.310 1.00 0.00 C ATOM 622 C PRO A 41 3.672 13.943 -2.341 1.00 0.00 C ATOM 623 O PRO A 41 2.579 13.422 -2.123 1.00 0.00 O ATOM 624 CB PRO A 41 5.054 15.245 -0.700 1.00 0.00 C ATOM 625 CG PRO A 41 6.174 15.809 -1.505 1.00 0.00 C ATOM 626 CD PRO A 41 7.030 14.638 -1.902 1.00 0.00 C ATOM 0 HA PRO A 41 4.463 13.120 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.168 15.877 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.323 15.168 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.798 16.333 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.747 16.532 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.488 14.788 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.841 14.474 -1.192 1.00 0.00 H new ATOM 634 N GLU A 42 3.952 14.596 -3.465 1.00 0.00 N ATOM 635 CA GLU A 42 2.966 14.741 -4.529 1.00 0.00 C ATOM 636 C GLU A 42 2.554 13.379 -5.078 1.00 0.00 C ATOM 637 O GLU A 42 1.367 13.104 -5.263 1.00 0.00 O ATOM 638 CB GLU A 42 3.525 15.610 -5.657 1.00 0.00 C ATOM 639 CG GLU A 42 4.841 15.104 -6.221 1.00 0.00 C ATOM 640 CD GLU A 42 5.685 16.213 -6.819 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.639 17.344 -6.292 1.00 0.00 O ATOM 642 OE2 GLU A 42 6.391 15.949 -7.816 1.00 0.00 O ATOM 0 H GLU A 42 4.853 15.032 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 42 2.085 15.226 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.791 15.662 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.665 16.625 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.405 14.610 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.640 14.353 -6.985 1.00 0.00 H new ATOM 649 N CYS A 43 3.541 12.529 -5.337 1.00 0.00 N ATOM 650 CA CYS A 43 3.283 11.194 -5.867 1.00 0.00 C ATOM 651 C CYS A 43 2.145 10.519 -5.108 1.00 0.00 C ATOM 652 O CYS A 43 1.155 10.096 -5.702 1.00 0.00 O ATOM 653 CB CYS A 43 4.546 10.337 -5.786 1.00 0.00 C ATOM 654 SG CYS A 43 5.735 10.645 -7.113 1.00 0.00 S ATOM 0 H CYS A 43 4.528 12.740 -5.189 1.00 0.00 H new ATOM 0 HA CYS A 43 2.989 11.295 -6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.033 10.517 -4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.260 9.285 -5.806 1.00 0.00 H new ATOM 0 HG CYS A 43 6.770 9.874 -6.956 1.00 0.00 H new ATOM 660 N GLY A 44 2.296 10.421 -3.790 1.00 0.00 N ATOM 661 CA GLY A 44 1.274 9.794 -2.972 1.00 0.00 C ATOM 662 C GLY A 44 1.673 9.709 -1.512 1.00 0.00 C ATOM 663 O GLY A 44 2.857 9.750 -1.181 1.00 0.00 O ATOM 0 H GLY A 44 3.107 10.764 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.346 10.358 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.074 8.791 -3.350 1.00 0.00 H new ATOM 667 N ASN A 45 0.681 9.594 -0.635 1.00 0.00 N ATOM 668 CA ASN A 45 0.935 9.507 0.799 1.00 0.00 C ATOM 669 C ASN A 45 0.499 8.151 1.345 1.00 0.00 C ATOM 670 O ASN A 45 1.173 7.567 2.196 1.00 0.00 O ATOM 671 CB ASN A 45 0.198 10.627 1.537 1.00 0.00 C ATOM 672 CG ASN A 45 -1.304 10.421 1.550 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.013 10.883 0.657 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.796 9.724 2.568 1.00 0.00 N ATOM 0 H ASN A 45 -0.306 9.559 -0.892 1.00 0.00 H new ATOM 0 HA ASN A 45 2.007 9.618 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.563 10.684 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.427 11.582 1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.800 9.553 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.170 9.360 3.286 1.00 0.00 H new ATOM 681 N LEU A 46 -0.630 7.655 0.853 1.00 0.00 N ATOM 682 CA LEU A 46 -1.155 6.366 1.291 1.00 0.00 C ATOM 683 C LEU A 46 -0.367 5.217 0.671 1.00 0.00 C ATOM 684 O LEU A 46 -0.619 4.821 -0.469 1.00 0.00 O ATOM 685 CB LEU A 46 -2.634 6.244 0.921 1.00 0.00 C ATOM 686 CG LEU A 46 -3.218 4.831 0.948 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.706 4.480 2.345 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.350 4.702 -0.062 1.00 0.00 C ATOM 0 H LEU A 46 -1.200 8.126 0.150 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.052 6.309 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.211 6.867 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.773 6.654 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.431 4.129 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.118 3.471 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.872 4.531 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.478 5.187 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.754 3.690 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.138 5.415 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.970 4.909 -1.063 1.00 0.00 H new ATOM 700 N LEU A 47 0.586 4.683 1.426 1.00 0.00 N ATOM 701 CA LEU A 47 1.410 3.577 0.952 1.00 0.00 C ATOM 702 C LEU A 47 1.215 2.340 1.822 1.00 0.00 C ATOM 703 O LEU A 47 0.962 2.446 3.023 1.00 0.00 O ATOM 704 CB LEU A 47 2.886 3.982 0.944 1.00 0.00 C ATOM 705 CG LEU A 47 3.645 3.774 2.255 1.00 0.00 C ATOM 706 CD1 LEU A 47 4.271 2.388 2.295 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.709 4.847 2.431 1.00 0.00 C ATOM 0 H LEU A 47 0.808 4.998 2.370 1.00 0.00 H new ATOM 0 HA LEU A 47 1.100 3.335 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.393 3.419 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.952 5.036 0.672 1.00 0.00 H new ATOM 0 HG LEU A 47 2.937 3.854 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.807 2.258 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.489 1.633 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.966 2.279 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.239 4.683 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.415 4.799 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.236 5.829 2.448 1.00 0.00 H new ATOM 719 N LEU A 48 1.335 1.168 1.209 1.00 0.00 N ATOM 720 CA LEU A 48 1.173 -0.091 1.928 1.00 0.00 C ATOM 721 C LEU A 48 2.485 -0.870 1.965 1.00 0.00 C ATOM 722 O LEU A 48 2.998 -1.290 0.927 1.00 0.00 O ATOM 723 CB LEU A 48 0.081 -0.940 1.272 1.00 0.00 C ATOM 724 CG LEU A 48 -1.358 -0.487 1.518 1.00 0.00 C ATOM 725 CD1 LEU A 48 -1.738 0.628 0.556 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.317 -1.661 1.382 1.00 0.00 C ATOM 0 H LEU A 48 1.544 1.063 0.216 1.00 0.00 H new ATOM 0 HA LEU A 48 0.879 0.140 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.257 -0.955 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.184 -1.966 1.626 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.429 -0.102 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.766 0.938 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.070 1.477 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.651 0.269 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.337 -1.320 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.244 -2.076 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.058 -2.429 2.111 1.00 0.00 H new ATOM 738 N ARG A 49 3.021 -1.060 3.166 1.00 0.00 N ATOM 739 CA ARG A 49 4.272 -1.789 3.338 1.00 0.00 C ATOM 740 C ARG A 49 4.038 -3.100 4.082 1.00 0.00 C ATOM 741 O ARG A 49 3.190 -3.197 4.970 1.00 0.00 O ATOM 742 CB ARG A 49 5.285 -0.931 4.098 1.00 0.00 C ATOM 743 CG ARG A 49 4.840 -0.565 5.505 1.00 0.00 C ATOM 744 CD ARG A 49 6.022 -0.184 6.382 1.00 0.00 C ATOM 745 NE ARG A 49 6.786 -1.354 6.808 1.00 0.00 N ATOM 746 CZ ARG A 49 6.472 -2.090 7.869 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.414 -1.779 8.606 1.00 0.00 N ATOM 748 NH2 ARG A 49 7.215 -3.140 8.193 1.00 0.00 N ATOM 0 H ARG A 49 2.609 -0.719 4.034 1.00 0.00 H new ATOM 0 HA ARG A 49 4.670 -2.019 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.233 -1.467 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.469 -0.016 3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.136 0.266 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.311 -1.407 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.675 0.496 5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.664 0.355 7.259 1.00 0.00 H new ATOM 0 HE ARG A 49 7.605 -1.620 6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.839 -0.973 8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.175 -2.345 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.028 -3.383 7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.973 -3.704 9.008 1.00 0.00 H new ATOM 762 N PRO A 50 4.808 -4.135 3.713 1.00 0.00 N ATOM 763 CA PRO A 50 4.705 -5.459 4.332 1.00 0.00 C ATOM 764 C PRO A 50 5.213 -5.468 5.770 1.00 0.00 C ATOM 765 O PRO A 50 6.307 -4.982 6.056 1.00 0.00 O ATOM 766 CB PRO A 50 5.593 -6.336 3.446 1.00 0.00 C ATOM 767 CG PRO A 50 6.573 -5.392 2.841 1.00 0.00 C ATOM 768 CD PRO A 50 5.840 -4.091 2.663 1.00 0.00 C ATOM 0 HA PRO A 50 3.672 -5.800 4.393 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.095 -7.108 4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.008 -6.845 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.442 -5.265 3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.938 -5.768 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.504 -3.235 2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.399 -4.011 1.669 1.00 0.00 H new ATOM 776 N SER A 51 4.411 -6.025 6.673 1.00 0.00 N ATOM 777 CA SER A 51 4.778 -6.093 8.082 1.00 0.00 C ATOM 778 C SER A 51 4.743 -7.533 8.583 1.00 0.00 C ATOM 779 O SER A 51 3.702 -8.188 8.555 1.00 0.00 O ATOM 780 CB SER A 51 3.835 -5.228 8.920 1.00 0.00 C ATOM 781 OG SER A 51 4.223 -5.222 10.283 1.00 0.00 O ATOM 0 H SER A 51 3.503 -6.435 6.453 1.00 0.00 H new ATOM 0 HA SER A 51 5.795 -5.714 8.185 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.833 -4.208 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.816 -5.604 8.831 1.00 0.00 H new ATOM 0 HG SER A 51 3.605 -4.661 10.797 1.00 0.00 H new ATOM 787 N GLY A 52 5.892 -8.022 9.042 1.00 0.00 N ATOM 788 CA GLY A 52 5.972 -9.382 9.543 1.00 0.00 C ATOM 789 C GLY A 52 6.679 -9.466 10.881 1.00 0.00 C ATOM 790 O GLY A 52 6.585 -8.551 11.700 1.00 0.00 O ATOM 0 H GLY A 52 6.768 -7.501 9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.966 -9.790 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.498 -10.003 8.818 1.00 0.00 H new ATOM 794 N ASP A 53 7.388 -10.568 11.106 1.00 0.00 N ATOM 795 CA ASP A 53 8.113 -10.768 12.355 1.00 0.00 C ATOM 796 C ASP A 53 7.159 -10.767 13.545 1.00 0.00 C ATOM 797 O ASP A 53 7.450 -10.180 14.586 1.00 0.00 O ATOM 798 CB ASP A 53 9.174 -9.681 12.534 1.00 0.00 C ATOM 799 CG ASP A 53 10.433 -9.963 11.739 1.00 0.00 C ATOM 800 OD1 ASP A 53 10.337 -10.090 10.500 1.00 0.00 O ATOM 801 OD2 ASP A 53 11.515 -10.057 12.356 1.00 0.00 O ATOM 0 H ASP A 53 7.476 -11.335 10.440 1.00 0.00 H new ATOM 0 HA ASP A 53 8.604 -11.740 12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.761 -8.720 12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.427 -9.595 13.591 1.00 0.00 H new ATOM 806 N GLY A 54 6.015 -11.426 13.380 1.00 0.00 N ATOM 807 CA GLY A 54 5.034 -11.486 14.447 1.00 0.00 C ATOM 808 C GLY A 54 3.636 -11.145 13.971 1.00 0.00 C ATOM 809 O GLY A 54 2.674 -11.836 14.305 1.00 0.00 O ATOM 0 H GLY A 54 5.751 -11.919 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.033 -12.487 14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.322 -10.796 15.240 1.00 0.00 H new ATOM 813 N ALA A 55 3.523 -10.076 13.190 1.00 0.00 N ATOM 814 CA ALA A 55 2.233 -9.646 12.667 1.00 0.00 C ATOM 815 C ALA A 55 1.721 -10.613 11.604 1.00 0.00 C ATOM 816 O ALA A 55 0.540 -10.959 11.583 1.00 0.00 O ATOM 817 CB ALA A 55 2.337 -8.239 12.096 1.00 0.00 C ATOM 0 H ALA A 55 4.309 -9.492 12.906 1.00 0.00 H new ATOM 0 HA ALA A 55 1.519 -9.641 13.491 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.366 -7.931 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.650 -7.550 12.881 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.070 -8.227 11.289 1.00 0.00 H new ATOM 823 N ASP A 56 2.617 -11.045 10.723 1.00 0.00 N ATOM 824 CA ASP A 56 2.256 -11.972 9.657 1.00 0.00 C ATOM 825 C ASP A 56 1.176 -11.375 8.760 1.00 0.00 C ATOM 826 O ASP A 56 0.206 -12.046 8.410 1.00 0.00 O ATOM 827 CB ASP A 56 1.772 -13.298 10.248 1.00 0.00 C ATOM 828 CG ASP A 56 2.874 -14.046 10.971 1.00 0.00 C ATOM 829 OD1 ASP A 56 3.604 -13.411 11.761 1.00 0.00 O ATOM 830 OD2 ASP A 56 3.007 -15.267 10.747 1.00 0.00 O ATOM 0 H ASP A 56 3.599 -10.768 10.726 1.00 0.00 H new ATOM 0 HA ASP A 56 3.144 -12.156 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.952 -13.106 10.940 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.375 -13.925 9.450 1.00 0.00 H new ATOM 835 N GLY A 57 1.350 -10.110 8.394 1.00 0.00 N ATOM 836 CA GLY A 57 0.382 -9.444 7.542 1.00 0.00 C ATOM 837 C GLY A 57 0.963 -8.232 6.841 1.00 0.00 C ATOM 838 O GLY A 57 2.175 -8.141 6.645 1.00 0.00 O ATOM 0 H GLY A 57 2.144 -9.534 8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.013 -10.149 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.475 -9.137 8.142 1.00 0.00 H new ATOM 842 N VAL A 58 0.096 -7.300 6.458 1.00 0.00 N ATOM 843 CA VAL A 58 0.531 -6.088 5.774 1.00 0.00 C ATOM 844 C VAL A 58 0.155 -4.843 6.569 1.00 0.00 C ATOM 845 O VAL A 58 -0.892 -4.799 7.216 1.00 0.00 O ATOM 846 CB VAL A 58 -0.084 -5.989 4.365 1.00 0.00 C ATOM 847 CG1 VAL A 58 0.360 -4.707 3.676 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.290 -7.207 3.533 1.00 0.00 C ATOM 0 H VAL A 58 -0.911 -7.361 6.610 1.00 0.00 H new ATOM 0 HA VAL A 58 1.616 -6.145 5.687 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.169 -5.963 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.085 -4.655 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.037 -3.848 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.446 -4.699 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.153 -7.120 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.375 -7.266 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.083 -8.108 4.019 1.00 0.00 H new ATOM 858 N SER A 59 1.015 -3.831 6.515 1.00 0.00 N ATOM 859 CA SER A 59 0.775 -2.585 7.233 1.00 0.00 C ATOM 860 C SER A 59 0.563 -1.429 6.260 1.00 0.00 C ATOM 861 O SER A 59 1.106 -1.425 5.155 1.00 0.00 O ATOM 862 CB SER A 59 1.948 -2.274 8.164 1.00 0.00 C ATOM 863 OG SER A 59 1.753 -2.857 9.441 1.00 0.00 O ATOM 0 H SER A 59 1.884 -3.850 5.981 1.00 0.00 H new ATOM 0 HA SER A 59 -0.130 -2.706 7.828 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.873 -2.649 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.059 -1.195 8.266 1.00 0.00 H new ATOM 0 HG SER A 59 0.907 -2.539 9.820 1.00 0.00 H new ATOM 869 N VAL A 60 -0.230 -0.448 6.679 1.00 0.00 N ATOM 870 CA VAL A 60 -0.513 0.715 5.847 1.00 0.00 C ATOM 871 C VAL A 60 0.034 1.990 6.478 1.00 0.00 C ATOM 872 O VAL A 60 -0.304 2.330 7.612 1.00 0.00 O ATOM 873 CB VAL A 60 -2.026 0.880 5.610 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.299 2.079 4.713 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.614 -0.388 5.011 1.00 0.00 C ATOM 0 H VAL A 60 -0.688 -0.436 7.590 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.019 0.547 4.890 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.508 1.058 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.373 2.180 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.915 2.983 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.805 1.935 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.684 -0.253 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.128 -0.600 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.452 -1.222 5.694 1.00 0.00 H new ATOM 885 N THR A 61 0.882 2.694 5.735 1.00 0.00 N ATOM 886 CA THR A 61 1.478 3.932 6.222 1.00 0.00 C ATOM 887 C THR A 61 0.963 5.135 5.442 1.00 0.00 C ATOM 888 O THR A 61 1.166 5.236 4.231 1.00 0.00 O ATOM 889 CB THR A 61 3.015 3.892 6.126 1.00 0.00 C ATOM 890 OG1 THR A 61 3.523 2.770 6.856 1.00 0.00 O ATOM 891 CG2 THR A 61 3.626 5.176 6.669 1.00 0.00 C ATOM 0 H THR A 61 1.172 2.428 4.794 1.00 0.00 H new ATOM 0 HA THR A 61 1.189 4.031 7.268 1.00 0.00 H new ATOM 0 HB THR A 61 3.288 3.795 5.075 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.500 2.751 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.712 5.124 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.261 6.025 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.343 5.300 7.714 1.00 0.00 H new ATOM 899 N THR A 62 0.294 6.047 6.140 1.00 0.00 N ATOM 900 CA THR A 62 -0.252 7.243 5.512 1.00 0.00 C ATOM 901 C THR A 62 0.426 8.501 6.045 1.00 0.00 C ATOM 902 O THR A 62 0.736 8.595 7.232 1.00 0.00 O ATOM 903 CB THR A 62 -1.771 7.356 5.743 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.055 7.348 7.146 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.507 6.210 5.064 1.00 0.00 C ATOM 0 H THR A 62 0.117 5.980 7.142 1.00 0.00 H new ATOM 0 HA THR A 62 -0.060 7.154 4.443 1.00 0.00 H new ATOM 0 HB THR A 62 -2.114 8.295 5.309 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.022 7.422 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.578 6.310 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.312 6.237 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.159 5.261 5.473 1.00 0.00 H new ATOM 913 N ARG A 63 0.651 9.465 5.158 1.00 0.00 N ATOM 914 CA ARG A 63 1.293 10.717 5.539 1.00 0.00 C ATOM 915 C ARG A 63 0.446 11.913 5.114 1.00 0.00 C ATOM 916 O ARG A 63 0.659 12.489 4.047 1.00 0.00 O ATOM 917 CB ARG A 63 2.684 10.815 4.910 1.00 0.00 C ATOM 918 CG ARG A 63 3.619 11.764 5.642 1.00 0.00 C ATOM 919 CD ARG A 63 3.213 13.214 5.437 1.00 0.00 C ATOM 920 NE ARG A 63 4.335 14.130 5.629 1.00 0.00 N ATOM 921 CZ ARG A 63 5.209 14.431 4.676 1.00 0.00 C ATOM 922 NH1 ARG A 63 5.091 13.894 3.470 1.00 0.00 N ATOM 923 NH2 ARG A 63 6.204 15.273 4.928 1.00 0.00 N ATOM 0 H ARG A 63 0.398 9.403 4.172 1.00 0.00 H new ATOM 0 HA ARG A 63 1.391 10.730 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.133 9.822 4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.583 11.144 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.615 11.531 6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.639 11.617 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.811 13.339 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.414 13.469 6.134 1.00 0.00 H new ATOM 0 HE ARG A 63 4.453 14.562 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.327 13.248 3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.764 14.127 2.740 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.298 15.689 5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.875 15.504 4.195 1.00 0.00 H new ATOM 937 N GLN A 64 -0.515 12.281 5.955 1.00 0.00 N ATOM 938 CA GLN A 64 -1.394 13.407 5.666 1.00 0.00 C ATOM 939 C GLN A 64 -0.929 14.663 6.396 1.00 0.00 C ATOM 940 O GLN A 64 -0.506 14.601 7.550 1.00 0.00 O ATOM 941 CB GLN A 64 -2.833 13.074 6.067 1.00 0.00 C ATOM 942 CG GLN A 64 -2.957 12.498 7.467 1.00 0.00 C ATOM 943 CD GLN A 64 -4.282 12.833 8.121 1.00 0.00 C ATOM 944 OE1 GLN A 64 -4.935 13.813 7.762 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.689 12.018 9.088 1.00 0.00 N ATOM 0 H GLN A 64 -0.704 11.815 6.842 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.357 13.598 4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.438 13.978 6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.245 12.361 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.842 11.415 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.144 12.879 8.086 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.117 11.217 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.574 12.193 9.564 1.00 0.00 H new ATOM 954 N MET A 65 -1.010 15.801 5.714 1.00 0.00 N ATOM 955 CA MET A 65 -0.598 17.073 6.299 1.00 0.00 C ATOM 956 C MET A 65 -1.727 17.685 7.121 1.00 0.00 C ATOM 957 O MET A 65 -2.712 18.178 6.570 1.00 0.00 O ATOM 958 CB MET A 65 -0.165 18.046 5.201 1.00 0.00 C ATOM 959 CG MET A 65 0.262 19.406 5.729 1.00 0.00 C ATOM 960 SD MET A 65 1.992 19.445 6.233 1.00 0.00 S ATOM 961 CE MET A 65 1.983 20.829 7.370 1.00 0.00 C ATOM 0 H MET A 65 -1.357 15.869 4.757 1.00 0.00 H new ATOM 0 HA MET A 65 0.247 16.883 6.961 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.661 17.606 4.642 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.989 18.180 4.500 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.095 20.159 4.959 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.366 19.675 6.579 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.990 20.991 7.754 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.645 21.725 6.850 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.309 20.614 8.199 1.00 0.00 H new ATOM 971 N HIS A 66 -1.579 17.649 8.441 1.00 0.00 N ATOM 972 CA HIS A 66 -2.587 18.201 9.339 1.00 0.00 C ATOM 973 C HIS A 66 -2.619 19.724 9.249 1.00 0.00 C ATOM 974 O HIS A 66 -1.872 20.325 8.478 1.00 0.00 O ATOM 975 CB HIS A 66 -2.309 17.769 10.779 1.00 0.00 C ATOM 976 CG HIS A 66 -3.516 17.824 11.664 1.00 0.00 C ATOM 977 ND1 HIS A 66 -3.463 18.212 12.986 1.00 0.00 N ATOM 978 CD2 HIS A 66 -4.815 17.540 11.410 1.00 0.00 C ATOM 979 CE1 HIS A 66 -4.677 18.162 13.507 1.00 0.00 C ATOM 980 NE2 HIS A 66 -5.515 17.757 12.571 1.00 0.00 N ATOM 0 H HIS A 66 -0.771 17.243 8.913 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.560 17.816 9.034 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.917 16.752 10.775 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.532 18.408 11.198 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.225 17.205 10.469 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.939 18.410 14.525 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.519 17.626 12.691 1.00 0.00 H new ATOM 989 N ASN A 67 -3.488 20.340 10.044 1.00 0.00 N ATOM 990 CA ASN A 67 -3.617 21.793 10.053 1.00 0.00 C ATOM 991 C ASN A 67 -2.270 22.461 9.794 1.00 0.00 C ATOM 992 O ASN A 67 -2.189 23.465 9.088 1.00 0.00 O ATOM 993 CB ASN A 67 -4.185 22.266 11.393 1.00 0.00 C ATOM 994 CG ASN A 67 -4.958 23.565 11.266 1.00 0.00 C ATOM 995 OD1 ASN A 67 -4.515 24.502 10.601 1.00 0.00 O ATOM 996 ND2 ASN A 67 -6.119 23.628 11.907 1.00 0.00 N ATOM 0 H ASN A 67 -4.113 19.857 10.690 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.302 22.077 9.254 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.839 21.495 11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.369 22.399 12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.682 24.477 11.860 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.448 22.827 12.447 1.00 0.00 H new ATOM 1003 N GLY A 68 -1.214 21.895 10.370 1.00 0.00 N ATOM 1004 CA GLY A 68 0.115 22.448 10.190 1.00 0.00 C ATOM 1005 C GLY A 68 1.185 21.622 10.876 1.00 0.00 C ATOM 1006 O GLY A 68 2.164 22.165 11.392 1.00 0.00 O ATOM 0 H GLY A 68 -1.256 21.063 10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.337 22.512 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.138 23.465 10.582 1.00 0.00 H new ATOM 1010 N THR A 69 0.999 20.306 10.887 1.00 0.00 N ATOM 1011 CA THR A 69 1.954 19.404 11.518 1.00 0.00 C ATOM 1012 C THR A 69 2.126 18.128 10.704 1.00 0.00 C ATOM 1013 O THR A 69 1.236 17.737 9.947 1.00 0.00 O ATOM 1014 CB THR A 69 1.516 19.033 12.948 1.00 0.00 C ATOM 1015 OG1 THR A 69 2.443 18.102 13.518 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.120 18.430 12.946 1.00 0.00 C ATOM 0 H THR A 69 0.195 19.841 10.466 1.00 0.00 H new ATOM 0 HA THR A 69 2.906 19.933 11.563 1.00 0.00 H new ATOM 0 HB THR A 69 1.501 19.943 13.548 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.159 17.872 14.427 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.168 18.176 13.966 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.588 19.152 12.538 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.114 17.529 12.332 1.00 0.00 H new ATOM 1024 N HIS A 70 3.276 17.480 10.863 1.00 0.00 N ATOM 1025 CA HIS A 70 3.563 16.245 10.143 1.00 0.00 C ATOM 1026 C HIS A 70 3.338 15.029 11.037 1.00 0.00 C ATOM 1027 O HIS A 70 4.152 14.726 11.909 1.00 0.00 O ATOM 1028 CB HIS A 70 5.003 16.253 9.628 1.00 0.00 C ATOM 1029 CG HIS A 70 5.417 17.560 9.027 1.00 0.00 C ATOM 1030 ND1 HIS A 70 5.702 17.716 7.686 1.00 0.00 N ATOM 1031 CD2 HIS A 70 5.591 18.779 9.591 1.00 0.00 C ATOM 1032 CE1 HIS A 70 6.036 18.973 7.453 1.00 0.00 C ATOM 1033 NE2 HIS A 70 5.975 19.638 8.591 1.00 0.00 N ATOM 0 H HIS A 70 4.024 17.790 11.484 1.00 0.00 H new ATOM 0 HA HIS A 70 2.881 16.182 9.295 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.676 16.012 10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.118 15.467 8.882 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.453 19.029 10.633 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.312 19.386 6.494 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.180 20.630 8.709 1.00 0.00 H new ATOM 1042 N VAL A 71 2.225 14.336 10.814 1.00 0.00 N ATOM 1043 CA VAL A 71 1.892 13.152 11.599 1.00 0.00 C ATOM 1044 C VAL A 71 1.798 11.914 10.715 1.00 0.00 C ATOM 1045 O VAL A 71 1.176 11.942 9.653 1.00 0.00 O ATOM 1046 CB VAL A 71 0.560 13.334 12.350 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.205 12.074 13.123 1.00 0.00 C ATOM 1048 CG2 VAL A 71 0.633 14.537 13.280 1.00 0.00 C ATOM 0 H VAL A 71 1.539 14.574 10.097 1.00 0.00 H new ATOM 0 HA VAL A 71 2.695 13.017 12.324 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.227 13.516 11.618 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.739 12.222 13.647 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.108 11.238 12.431 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.991 11.857 13.846 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.317 14.651 13.803 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.432 14.387 14.007 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.837 15.435 12.697 1.00 0.00 H new ATOM 1058 N VAL A 72 2.422 10.828 11.159 1.00 0.00 N ATOM 1059 CA VAL A 72 2.408 9.577 10.408 1.00 0.00 C ATOM 1060 C VAL A 72 1.766 8.457 11.219 1.00 0.00 C ATOM 1061 O VAL A 72 2.239 8.110 12.301 1.00 0.00 O ATOM 1062 CB VAL A 72 3.830 9.152 10.001 1.00 0.00 C ATOM 1063 CG1 VAL A 72 3.788 7.893 9.149 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.535 10.281 9.266 1.00 0.00 C ATOM 0 H VAL A 72 2.944 10.788 12.035 1.00 0.00 H new ATOM 0 HA VAL A 72 1.819 9.754 9.508 1.00 0.00 H new ATOM 0 HB VAL A 72 4.396 8.930 10.906 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.803 7.608 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.327 7.085 9.717 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.205 8.083 8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.539 9.962 8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.973 10.538 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.600 11.154 9.916 1.00 0.00 H new ATOM 1074 N ARG A 73 0.685 7.895 10.688 1.00 0.00 N ATOM 1075 CA ARG A 73 -0.023 6.814 11.362 1.00 0.00 C ATOM 1076 C ARG A 73 0.395 5.457 10.802 1.00 0.00 C ATOM 1077 O ARG A 73 1.108 5.381 9.802 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.535 6.995 11.215 1.00 0.00 C ATOM 1079 CG ARG A 73 -2.159 7.836 12.317 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.271 7.054 13.617 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.413 6.144 13.611 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.639 6.500 13.978 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.880 7.741 14.377 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -5.626 5.614 13.946 1.00 0.00 N ATOM 0 H ARG A 73 0.281 8.171 9.793 1.00 0.00 H new ATOM 0 HA ARG A 73 0.238 6.847 12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.744 7.460 10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.010 6.014 11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.557 8.730 12.479 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.149 8.170 12.005 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.355 6.485 13.778 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.366 7.749 14.451 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.261 5.182 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.123 8.425 14.403 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.822 8.012 14.658 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.444 4.658 13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.567 5.888 14.228 1.00 0.00 H new ATOM 1098 N HIS A 74 -0.054 4.389 11.454 1.00 0.00 N ATOM 1099 CA HIS A 74 0.272 3.036 11.021 1.00 0.00 C ATOM 1100 C HIS A 74 -0.895 2.087 11.274 1.00 0.00 C ATOM 1101 O HIS A 74 -1.517 2.121 12.336 1.00 0.00 O ATOM 1102 CB HIS A 74 1.520 2.533 11.747 1.00 0.00 C ATOM 1103 CG HIS A 74 2.645 3.522 11.763 1.00 0.00 C ATOM 1104 ND1 HIS A 74 3.652 3.532 10.821 1.00 0.00 N ATOM 1105 CD2 HIS A 74 2.916 4.540 12.612 1.00 0.00 C ATOM 1106 CE1 HIS A 74 4.495 4.512 11.092 1.00 0.00 C ATOM 1107 NE2 HIS A 74 4.071 5.140 12.174 1.00 0.00 N ATOM 0 H HIS A 74 -0.645 4.435 12.284 1.00 0.00 H new ATOM 0 HA HIS A 74 0.469 3.062 9.949 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.255 2.280 12.774 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.862 1.614 11.270 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.332 4.827 13.474 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.381 4.758 10.525 1.00 0.00 H new ATOM 0 HE2 HIS A 74 4.527 5.940 12.613 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.189 1.243 10.292 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.284 0.287 10.407 1.00 0.00 C ATOM 1118 C TYR A 75 -1.802 -1.131 10.117 1.00 0.00 C ATOM 1119 O TYR A 75 -0.755 -1.331 9.500 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.416 0.660 9.447 1.00 0.00 C ATOM 1121 CG TYR A 75 -3.850 2.103 9.556 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.212 2.651 10.780 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -3.900 2.921 8.433 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.610 3.970 10.884 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.296 4.240 8.527 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.649 4.761 9.754 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.045 6.075 9.852 1.00 0.00 O ATOM 0 H TYR A 75 -0.684 1.201 9.407 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.658 0.321 11.430 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.094 0.462 8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.273 0.016 9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.182 2.035 11.666 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.624 2.517 7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.889 4.379 11.844 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.329 4.861 7.644 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.016 6.492 8.966 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.576 -2.114 10.564 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.232 -3.516 10.353 1.00 0.00 C ATOM 1139 C LYS A 76 -3.412 -4.283 9.765 1.00 0.00 C ATOM 1140 O LYS A 76 -4.550 -3.813 9.799 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.796 -4.159 11.670 1.00 0.00 C ATOM 1142 CG LYS A 76 -0.316 -3.995 11.968 1.00 0.00 C ATOM 1143 CD LYS A 76 0.040 -4.533 13.343 1.00 0.00 C ATOM 1144 CE LYS A 76 1.539 -4.740 13.490 1.00 0.00 C ATOM 1145 NZ LYS A 76 2.283 -3.450 13.461 1.00 0.00 N ATOM 0 H LYS A 76 -3.446 -1.966 11.075 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.405 -3.559 9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.372 -3.723 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.037 -5.222 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.268 -4.517 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.047 -2.940 11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.309 -3.839 14.108 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.477 -5.478 13.510 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.744 -5.256 14.428 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.897 -5.384 12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.301 -3.634 13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.108 -2.969 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.960 -2.845 14.243 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.134 -5.466 9.227 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.173 -6.300 8.635 1.00 0.00 C ATOM 1161 C VAL A 77 -4.055 -7.744 9.106 1.00 0.00 C ATOM 1162 O VAL A 77 -2.952 -8.254 9.309 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.110 -6.266 7.097 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.163 -7.186 6.498 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.282 -4.843 6.587 1.00 0.00 C ATOM 0 H VAL A 77 -2.198 -5.869 9.189 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.130 -5.893 8.962 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.129 -6.624 6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.103 -7.148 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.988 -8.207 6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.153 -6.862 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.235 -4.839 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.248 -4.455 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.487 -4.214 6.987 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.197 -8.400 9.279 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.223 -9.787 9.726 1.00 0.00 C ATOM 1177 C LYS A 78 -5.626 -10.719 8.586 1.00 0.00 C ATOM 1178 O LYS A 78 -5.959 -10.266 7.490 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.194 -9.950 10.897 1.00 0.00 C ATOM 1180 CG LYS A 78 -5.551 -9.724 12.256 1.00 0.00 C ATOM 1181 CD LYS A 78 -4.731 -10.927 12.691 1.00 0.00 C ATOM 1182 CE LYS A 78 -5.580 -11.931 13.457 1.00 0.00 C ATOM 1183 NZ LYS A 78 -4.875 -13.230 13.637 1.00 0.00 N ATOM 0 H LYS A 78 -6.118 -7.993 9.116 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.219 -10.055 10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.020 -9.249 10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.620 -10.953 10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.912 -8.842 12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.325 -9.523 12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.297 -11.409 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.902 -10.597 13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.837 -11.519 14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.516 -12.097 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.486 -13.887 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.652 -13.636 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.994 -13.076 14.168 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.594 -12.020 8.851 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.956 -13.014 7.848 1.00 0.00 C ATOM 1199 C ARG A 79 -7.125 -13.870 8.327 1.00 0.00 C ATOM 1200 O ARG A 79 -6.931 -14.871 9.015 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.755 -13.905 7.525 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.758 -14.440 6.103 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.988 -15.291 5.830 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.811 -16.151 4.663 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.224 -17.342 4.710 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -4.760 -17.811 5.860 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -5.101 -18.065 3.604 1.00 0.00 N ATOM 0 H ARG A 79 -5.321 -12.411 9.753 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.261 -12.487 6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.839 -13.338 7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.739 -14.745 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.727 -13.608 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.859 -15.033 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.205 -15.906 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.850 -14.642 5.675 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.157 -15.819 3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.853 -17.257 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.310 -18.726 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.457 -17.706 2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.650 -18.979 3.640 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.337 -13.468 7.959 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.536 -14.198 8.353 1.00 0.00 C ATOM 1223 C GLU A 80 -10.269 -14.742 7.131 1.00 0.00 C ATOM 1224 O GLU A 80 -11.191 -14.112 6.615 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.469 -13.292 9.160 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.512 -14.053 9.961 1.00 0.00 C ATOM 1227 CD GLU A 80 -12.012 -13.269 11.160 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -12.891 -12.400 10.977 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.524 -13.525 12.280 1.00 0.00 O ATOM 0 H GLU A 80 -8.515 -12.641 7.389 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.230 -15.039 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.873 -12.684 9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.974 -12.606 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.355 -14.297 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.086 -14.997 10.301 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.848 -15.917 6.670 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.474 -16.526 5.512 1.00 0.00 C ATOM 1238 C GLY A 81 -10.123 -15.813 4.221 1.00 0.00 C ATOM 1239 O GLY A 81 -9.090 -15.152 4.113 1.00 0.00 O ATOM 0 H GLY A 81 -9.085 -16.457 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.166 -17.569 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.556 -16.521 5.643 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.996 -15.945 3.211 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.793 -15.316 1.902 1.00 0.00 C ATOM 1245 C PRO A 82 -10.938 -13.799 1.960 1.00 0.00 C ATOM 1246 O PRO A 82 -10.853 -13.117 0.938 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.900 -15.926 1.040 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.963 -16.317 2.008 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.248 -16.717 3.269 1.00 0.00 C ATOM 0 HA PRO A 82 -9.789 -15.491 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.274 -15.208 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.537 -16.789 0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.646 -15.488 2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.560 -17.142 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.831 -16.471 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.057 -17.790 3.300 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.157 -13.275 3.161 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.311 -11.838 3.353 1.00 0.00 C ATOM 1259 C LYS A 83 -10.352 -11.325 4.422 1.00 0.00 C ATOM 1260 O LYS A 83 -9.928 -12.076 5.301 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.754 -11.508 3.747 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.259 -12.310 4.933 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.974 -11.600 6.247 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.523 -12.381 7.432 1.00 0.00 C ATOM 1265 NZ LYS A 83 -15.010 -12.450 7.410 1.00 0.00 N ATOM 0 H LYS A 83 -11.232 -13.825 4.017 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.074 -11.343 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.824 -10.446 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.406 -11.690 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.332 -12.474 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.785 -13.292 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.899 -11.467 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.418 -10.605 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.112 -13.391 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.195 -11.912 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.355 -12.790 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.399 -11.504 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.316 -13.104 6.662 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.014 -10.043 4.341 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.103 -9.430 5.301 1.00 0.00 C ATOM 1281 C TYR A 84 -9.837 -8.424 6.182 1.00 0.00 C ATOM 1282 O TYR A 84 -10.743 -7.726 5.726 1.00 0.00 O ATOM 1283 CB TYR A 84 -7.949 -8.742 4.572 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.309 -9.599 3.505 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.983 -10.926 3.755 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.029 -9.083 2.245 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.397 -11.713 2.783 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.445 -9.863 1.267 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.131 -11.178 1.540 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.548 -11.958 0.568 1.00 0.00 O ATOM 0 H TYR A 84 -10.357 -9.408 3.620 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.702 -10.218 5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.316 -7.822 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.190 -8.456 5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.191 -11.350 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.273 -8.054 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.148 -12.742 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.235 -9.446 0.293 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.430 -11.429 -0.249 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.438 -8.353 7.448 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.054 -7.431 8.394 1.00 0.00 C ATOM 1302 C VAL A 85 -9.032 -6.444 8.946 1.00 0.00 C ATOM 1303 O VAL A 85 -8.089 -6.833 9.636 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.709 -8.185 9.567 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.853 -9.056 9.070 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -9.674 -9.020 10.306 1.00 0.00 C ATOM 0 H VAL A 85 -8.690 -8.924 7.842 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.823 -6.885 7.848 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.118 -7.454 10.264 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.303 -9.581 9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.604 -8.430 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.472 -9.782 8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.153 -9.546 11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.234 -9.744 9.621 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.892 -8.368 10.696 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.226 -5.167 8.638 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.321 -4.123 9.105 1.00 0.00 C ATOM 1318 C ILE A 86 -8.191 -4.148 10.624 1.00 0.00 C ATOM 1319 O ILE A 86 -9.114 -4.553 11.330 1.00 0.00 O ATOM 1320 CB ILE A 86 -8.797 -2.727 8.664 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -8.994 -2.686 7.147 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -7.801 -1.664 9.103 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -9.692 -1.435 6.662 1.00 0.00 C ATOM 0 H ILE A 86 -10.001 -4.829 8.067 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.348 -4.324 8.656 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.755 -2.519 9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.022 -2.762 6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.573 -3.557 6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.152 -0.683 8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.707 -1.680 10.189 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.830 -1.867 8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.798 -1.474 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.679 -1.368 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.104 -0.560 6.938 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.041 -3.708 11.120 1.00 0.00 N ATOM 1336 CA ASP A 87 -6.790 -3.676 12.557 1.00 0.00 C ATOM 1337 C ASP A 87 -7.342 -2.396 13.176 1.00 0.00 C ATOM 1338 O ASP A 87 -6.600 -1.607 13.763 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.290 -3.788 12.837 1.00 0.00 C ATOM 1340 CG ASP A 87 -4.816 -5.228 12.886 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -4.788 -5.878 11.821 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -4.474 -5.703 13.990 1.00 0.00 O ATOM 0 H ASP A 87 -6.267 -3.368 10.549 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.300 -4.526 13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.738 -3.253 12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.063 -3.301 13.786 1.00 0.00 H new ATOM 1347 N VAL A 88 -8.648 -2.195 13.042 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.300 -1.011 13.588 1.00 0.00 C ATOM 1349 C VAL A 88 -10.480 -1.393 14.474 1.00 0.00 C ATOM 1350 O VAL A 88 -10.911 -2.545 14.488 1.00 0.00 O ATOM 1351 CB VAL A 88 -9.793 -0.075 12.469 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -8.620 0.625 11.801 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -10.612 -0.851 11.448 1.00 0.00 C ATOM 0 H VAL A 88 -9.276 -2.837 12.560 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.555 -0.487 14.187 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.434 0.687 12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.989 1.282 11.013 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.079 1.214 12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.950 -0.119 11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.952 -0.174 10.664 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.996 -1.635 11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.475 -1.300 11.939 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.000 -0.416 15.211 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.131 -0.650 16.101 1.00 0.00 C ATOM 1365 C GLU A 89 -13.110 -1.647 15.485 1.00 0.00 C ATOM 1366 O GLU A 89 -13.570 -2.574 16.152 1.00 0.00 O ATOM 1367 CB GLU A 89 -12.851 0.665 16.405 1.00 0.00 C ATOM 1368 CG GLU A 89 -11.966 1.701 17.077 1.00 0.00 C ATOM 1369 CD GLU A 89 -11.769 1.431 18.556 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -12.755 1.063 19.228 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -10.630 1.588 19.040 1.00 0.00 O ATOM 0 H GLU A 89 -10.656 0.544 15.209 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.747 -1.069 17.031 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.240 1.080 15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.708 0.460 17.046 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.995 1.719 16.583 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.408 2.689 16.948 1.00 0.00 H new ATOM 1378 N GLN A 90 -13.424 -1.448 14.209 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.348 -2.328 13.503 1.00 0.00 C ATOM 1380 C GLN A 90 -13.629 -3.107 12.407 1.00 0.00 C ATOM 1381 O GLN A 90 -12.983 -2.536 11.528 1.00 0.00 O ATOM 1382 CB GLN A 90 -15.497 -1.518 12.900 1.00 0.00 C ATOM 1383 CG GLN A 90 -16.492 -2.362 12.120 1.00 0.00 C ATOM 1384 CD GLN A 90 -17.640 -1.544 11.563 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -17.555 -0.319 11.464 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.724 -2.218 11.197 1.00 0.00 N ATOM 0 H GLN A 90 -13.052 -0.685 13.643 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.753 -3.040 14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.023 -0.998 13.700 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.085 -0.754 12.240 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -15.975 -2.861 11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.888 -3.143 12.769 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -18.751 -3.233 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.529 -1.721 10.816 1.00 0.00 H new ATOM 1395 N PRO A 91 -13.740 -4.442 12.459 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.107 -5.329 11.477 1.00 0.00 C ATOM 1397 C PRO A 91 -13.758 -5.229 10.102 1.00 0.00 C ATOM 1398 O PRO A 91 -14.655 -6.004 9.771 1.00 0.00 O ATOM 1399 CB PRO A 91 -13.319 -6.724 12.070 1.00 0.00 C ATOM 1400 CG PRO A 91 -14.529 -6.590 12.929 1.00 0.00 C ATOM 1401 CD PRO A 91 -14.495 -5.191 13.479 1.00 0.00 C ATOM 0 HA PRO A 91 -12.059 -5.076 11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.469 -7.468 11.288 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.454 -7.043 12.651 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.438 -6.760 12.352 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -14.520 -7.326 13.733 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.499 -4.787 13.613 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.004 -5.153 14.451 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.300 -4.271 9.303 1.00 0.00 N ATOM 1410 CA PHE A 92 -13.838 -4.069 7.963 1.00 0.00 C ATOM 1411 C PHE A 92 -13.502 -5.252 7.058 1.00 0.00 C ATOM 1412 O PHE A 92 -12.373 -5.383 6.584 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.287 -2.776 7.358 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.402 -2.719 5.861 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -14.636 -2.548 5.254 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.277 -2.836 5.061 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -14.746 -2.493 3.877 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.381 -2.782 3.685 1.00 0.00 C ATOM 1419 CZ PHE A 92 -13.616 -2.612 3.092 1.00 0.00 C ATOM 0 H PHE A 92 -12.557 -3.622 9.561 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.922 -3.991 8.042 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.819 -1.927 7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.239 -2.671 7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.522 -2.457 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.308 -2.971 5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.713 -2.357 3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.496 -2.873 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.698 -2.572 2.016 1.00 0.00 H new ATOM 1429 N SER A 93 -14.488 -6.111 6.825 1.00 0.00 N ATOM 1430 CA SER A 93 -14.296 -7.285 5.982 1.00 0.00 C ATOM 1431 C SER A 93 -14.575 -6.954 4.520 1.00 0.00 C ATOM 1432 O SER A 93 -15.606 -6.365 4.190 1.00 0.00 O ATOM 1433 CB SER A 93 -15.209 -8.423 6.441 1.00 0.00 C ATOM 1434 OG SER A 93 -14.992 -8.731 7.808 1.00 0.00 O ATOM 0 H SER A 93 -15.429 -6.016 7.208 1.00 0.00 H new ATOM 0 HA SER A 93 -13.257 -7.602 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.251 -8.141 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.026 -9.308 5.832 1.00 0.00 H new ATOM 0 HG SER A 93 -15.589 -9.460 8.078 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.650 -7.337 3.646 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.795 -7.081 2.217 1.00 0.00 C ATOM 1442 C CYS A 94 -13.381 -8.302 1.401 1.00 0.00 C ATOM 1443 O CYS A 94 -12.993 -9.330 1.956 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.956 -5.870 1.807 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.180 -6.075 2.082 1.00 0.00 S ATOM 0 H CYS A 94 -12.792 -7.826 3.902 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.845 -6.871 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -13.128 -5.663 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -13.301 -4.998 2.363 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.551 -5.970 0.949 1.00 0.00 H new ATOM 1451 N THR A 95 -13.467 -8.181 0.080 1.00 0.00 N ATOM 1452 CA THR A 95 -13.105 -9.275 -0.812 1.00 0.00 C ATOM 1453 C THR A 95 -11.592 -9.451 -0.878 1.00 0.00 C ATOM 1454 O THR A 95 -11.090 -10.574 -0.929 1.00 0.00 O ATOM 1455 CB THR A 95 -13.646 -9.042 -2.235 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.224 -10.103 -3.100 1.00 0.00 O ATOM 1457 CG2 THR A 95 -13.161 -7.709 -2.787 1.00 0.00 C ATOM 0 H THR A 95 -13.784 -7.336 -0.396 1.00 0.00 H new ATOM 0 HA THR A 95 -13.556 -10.179 -0.404 1.00 0.00 H new ATOM 0 HB THR A 95 -14.735 -9.024 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.573 -9.948 -4.002 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.556 -7.566 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.508 -6.901 -2.143 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.072 -7.704 -2.821 1.00 0.00 H new ATOM 1465 N SER A 96 -10.870 -8.335 -0.878 1.00 0.00 N ATOM 1466 CA SER A 96 -9.413 -8.366 -0.941 1.00 0.00 C ATOM 1467 C SER A 96 -8.825 -6.993 -0.635 1.00 0.00 C ATOM 1468 O SER A 96 -9.538 -5.987 -0.632 1.00 0.00 O ATOM 1469 CB SER A 96 -8.952 -8.834 -2.323 1.00 0.00 C ATOM 1470 OG SER A 96 -9.060 -7.791 -3.277 1.00 0.00 O ATOM 0 H SER A 96 -11.270 -7.398 -0.835 1.00 0.00 H new ATOM 0 HA SER A 96 -9.057 -9.069 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.918 -9.176 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.553 -9.686 -2.641 1.00 0.00 H new ATOM 0 HG SER A 96 -8.758 -8.115 -4.151 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.523 -6.957 -0.377 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.837 -5.707 -0.068 1.00 0.00 C ATOM 1478 C LEU A 97 -7.358 -4.571 -0.944 1.00 0.00 C ATOM 1479 O LEU A 97 -7.580 -3.458 -0.467 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.329 -5.867 -0.264 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.552 -6.414 0.933 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.113 -6.715 0.543 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.597 -5.429 2.093 1.00 0.00 C ATOM 0 H LEU A 97 -6.920 -7.780 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.036 -5.459 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.161 -6.529 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.912 -4.895 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.022 -7.344 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.575 -7.103 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.100 -7.457 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.631 -5.801 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.039 -5.835 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.152 -4.483 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.633 -5.263 2.389 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.552 -4.860 -2.225 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.049 -3.864 -3.168 1.00 0.00 C ATOM 1497 C ASP A 98 -9.073 -2.950 -2.502 1.00 0.00 C ATOM 1498 O ASP A 98 -8.984 -1.727 -2.597 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.671 -4.548 -4.386 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.146 -3.555 -5.428 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -8.291 -2.976 -6.130 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -10.374 -3.356 -5.542 1.00 0.00 O ATOM 0 H ASP A 98 -7.373 -5.776 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.205 -3.257 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.939 -5.219 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.512 -5.162 -4.064 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.048 -3.555 -1.829 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.090 -2.796 -1.147 1.00 0.00 C ATOM 1509 C ALA A 99 -10.499 -1.918 -0.049 1.00 0.00 C ATOM 1510 O ALA A 99 -10.784 -0.723 0.025 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.135 -3.738 -0.569 1.00 0.00 C ATOM 0 H ALA A 99 -10.138 -4.567 -1.742 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.569 -2.144 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.907 -3.158 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.586 -4.319 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.662 -4.413 0.144 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.675 -2.520 0.805 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.045 -1.792 1.899 1.00 0.00 C ATOM 1519 C VAL A 100 -8.527 -0.436 1.432 1.00 0.00 C ATOM 1520 O VAL A 100 -8.848 0.598 2.018 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.878 -2.594 2.506 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.208 -1.801 3.619 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.366 -3.939 3.019 1.00 0.00 C ATOM 0 H VAL A 100 -9.429 -3.509 0.759 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.809 -1.642 2.661 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.139 -2.775 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.386 -2.383 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.822 -0.864 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.935 -1.587 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.528 -4.492 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.124 -3.782 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.796 -4.509 2.195 1.00 0.00 H new ATOM 1533 N VAL A 101 -7.724 -0.448 0.373 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.162 0.780 -0.175 1.00 0.00 C ATOM 1535 C VAL A 101 -8.223 1.871 -0.277 1.00 0.00 C ATOM 1536 O VAL A 101 -7.988 3.016 0.106 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.548 0.546 -1.567 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.038 1.853 -2.154 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.430 -0.485 -1.489 1.00 0.00 C ATOM 0 H VAL A 101 -7.448 -1.296 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.377 1.101 0.510 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.325 0.159 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.608 1.667 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.865 2.557 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.275 2.273 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.007 -0.639 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.652 -0.128 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.830 -1.428 -1.115 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.390 1.507 -0.797 1.00 0.00 N ATOM 1550 CA ASN A 102 -10.488 2.455 -0.949 1.00 0.00 C ATOM 1551 C ASN A 102 -11.133 2.762 0.398 1.00 0.00 C ATOM 1552 O ASN A 102 -11.438 3.915 0.704 1.00 0.00 O ATOM 1553 CB ASN A 102 -11.537 1.901 -1.916 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.084 1.967 -3.362 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -10.769 3.039 -3.877 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.047 0.816 -4.023 1.00 0.00 N ATOM 0 H ASN A 102 -9.600 0.563 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.082 3.381 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.758 0.866 -1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.464 2.463 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.748 0.797 -4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.317 -0.049 -3.556 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.339 1.722 1.199 1.00 0.00 N ATOM 1564 CA TYR A 103 -11.950 1.881 2.514 1.00 0.00 C ATOM 1565 C TYR A 103 -11.280 3.006 3.295 1.00 0.00 C ATOM 1566 O TYR A 103 -11.952 3.850 3.890 1.00 0.00 O ATOM 1567 CB TYR A 103 -11.858 0.573 3.302 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.232 0.718 4.760 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -11.298 1.140 5.699 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -13.519 0.433 5.200 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -11.635 1.272 7.032 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -13.865 0.565 6.530 1.00 0.00 C ATOM 1573 CZ TYR A 103 -12.919 0.984 7.443 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.260 1.116 8.770 1.00 0.00 O ATOM 0 H TYR A 103 -11.092 0.761 0.961 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.999 2.139 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.511 -0.167 2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.841 0.188 3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.292 1.369 5.381 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.262 0.102 4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.896 1.599 7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.871 0.342 6.854 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.202 0.875 8.891 1.00 0.00 H new ATOM 1584 N PHE A 104 -9.951 3.014 3.287 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.189 4.035 3.995 1.00 0.00 C ATOM 1586 C PHE A 104 -9.497 5.424 3.444 1.00 0.00 C ATOM 1587 O PHE A 104 -9.843 6.339 4.191 1.00 0.00 O ATOM 1588 CB PHE A 104 -7.689 3.751 3.882 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.173 2.826 4.947 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.357 3.120 6.289 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.502 1.662 4.607 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -6.883 2.271 7.271 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.027 0.809 5.584 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.217 1.114 6.918 1.00 0.00 C ATOM 0 H PHE A 104 -9.380 2.325 2.798 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.480 4.007 5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.482 3.317 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.144 4.693 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.877 4.024 6.571 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.349 1.419 3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.033 2.512 8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.507 -0.096 5.305 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.845 0.449 7.683 1.00 0.00 H new ATOM 1604 N VAL A 105 -9.368 5.574 2.129 1.00 0.00 N ATOM 1605 CA VAL A 105 -9.634 6.850 1.476 1.00 0.00 C ATOM 1606 C VAL A 105 -10.972 7.428 1.921 1.00 0.00 C ATOM 1607 O VAL A 105 -11.030 8.510 2.505 1.00 0.00 O ATOM 1608 CB VAL A 105 -9.634 6.707 -0.058 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.030 8.018 -0.718 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -8.270 6.244 -0.549 1.00 0.00 C ATOM 0 H VAL A 105 -9.081 4.828 1.496 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.833 7.528 1.771 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.371 5.953 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.024 7.896 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.030 8.303 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.320 8.796 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.287 6.148 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.513 6.973 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.031 5.278 -0.103 1.00 0.00 H new ATOM 1620 N SER A 106 -12.048 6.698 1.642 1.00 0.00 N ATOM 1621 CA SER A 106 -13.388 7.139 2.011 1.00 0.00 C ATOM 1622 C SER A 106 -13.495 7.349 3.518 1.00 0.00 C ATOM 1623 O SER A 106 -13.940 8.400 3.981 1.00 0.00 O ATOM 1624 CB SER A 106 -14.429 6.116 1.551 1.00 0.00 C ATOM 1625 OG SER A 106 -15.723 6.462 2.014 1.00 0.00 O ATOM 0 H SER A 106 -12.017 5.799 1.162 1.00 0.00 H new ATOM 0 HA SER A 106 -13.580 8.090 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.432 6.060 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.159 5.127 1.921 1.00 0.00 H new ATOM 0 HG SER A 106 -16.370 5.794 1.706 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.084 6.339 4.280 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.133 6.412 5.736 1.00 0.00 C ATOM 1633 C HIS A 107 -12.631 7.766 6.230 1.00 0.00 C ATOM 1634 O HIS A 107 -13.351 8.498 6.909 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.297 5.290 6.352 1.00 0.00 C ATOM 1636 CG HIS A 107 -11.936 5.529 7.786 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -12.810 5.308 8.829 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -10.787 5.973 8.347 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -12.214 5.606 9.971 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -10.986 6.012 9.706 1.00 0.00 N ATOM 0 H HIS A 107 -12.714 5.462 3.913 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.171 6.294 6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.849 4.353 6.276 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.383 5.169 5.771 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.882 6.246 7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.656 5.530 10.953 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.297 6.307 10.398 1.00 0.00 H new ATOM 1649 N THR A 108 -11.390 8.093 5.883 1.00 0.00 N ATOM 1650 CA THR A 108 -10.790 9.357 6.293 1.00 0.00 C ATOM 1651 C THR A 108 -11.511 10.539 5.654 1.00 0.00 C ATOM 1652 O THR A 108 -11.820 10.521 4.464 1.00 0.00 O ATOM 1653 CB THR A 108 -9.298 9.418 5.919 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.143 9.312 4.499 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.523 8.302 6.603 1.00 0.00 C ATOM 0 H THR A 108 -10.781 7.500 5.319 1.00 0.00 H new ATOM 0 HA THR A 108 -10.888 9.417 7.377 1.00 0.00 H new ATOM 0 HB THR A 108 -8.901 10.375 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.008 10.204 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.471 8.365 6.324 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.618 8.403 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.924 7.337 6.292 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.774 11.567 6.454 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.456 12.760 5.967 1.00 0.00 C ATOM 1665 C LYS A 109 -11.774 13.306 4.718 1.00 0.00 C ATOM 1666 O LYS A 109 -12.427 13.846 3.826 1.00 0.00 O ATOM 1667 CB LYS A 109 -12.487 13.835 7.057 1.00 0.00 C ATOM 1668 CG LYS A 109 -11.109 14.227 7.562 1.00 0.00 C ATOM 1669 CD LYS A 109 -11.133 15.581 8.251 1.00 0.00 C ATOM 1670 CE LYS A 109 -11.085 16.720 7.244 1.00 0.00 C ATOM 1671 NZ LYS A 109 -10.854 18.035 7.903 1.00 0.00 N ATOM 0 H LYS A 109 -11.525 11.598 7.443 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.478 12.484 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.988 14.721 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.083 13.474 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.746 13.470 8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.409 14.255 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.036 15.667 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.285 15.659 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.291 16.532 6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.022 16.752 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.828 18.785 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.625 18.227 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.948 18.013 8.413 1.00 0.00 H new ATOM 1685 N LYS A 110 -10.454 13.161 4.659 1.00 0.00 N ATOM 1686 CA LYS A 110 -9.681 13.638 3.518 1.00 0.00 C ATOM 1687 C LYS A 110 -9.459 12.517 2.507 1.00 0.00 C ATOM 1688 O LYS A 110 -9.545 11.337 2.845 1.00 0.00 O ATOM 1689 CB LYS A 110 -8.334 14.194 3.985 1.00 0.00 C ATOM 1690 CG LYS A 110 -7.780 15.282 3.081 1.00 0.00 C ATOM 1691 CD LYS A 110 -8.442 16.623 3.354 1.00 0.00 C ATOM 1692 CE LYS A 110 -8.165 17.618 2.238 1.00 0.00 C ATOM 1693 NZ LYS A 110 -6.874 18.333 2.439 1.00 0.00 N ATOM 0 H LYS A 110 -9.897 12.717 5.389 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.246 14.434 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.445 14.592 4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.613 13.378 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.704 15.369 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.935 15.004 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.518 16.484 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.077 17.024 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.145 17.095 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.977 18.343 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.722 19.002 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.902 18.853 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.095 17.644 2.461 1.00 0.00 H new ATOM 1707 N ALA A 111 -9.169 12.896 1.266 1.00 0.00 N ATOM 1708 CA ALA A 111 -8.929 11.922 0.208 1.00 0.00 C ATOM 1709 C ALA A 111 -7.491 11.418 0.240 1.00 0.00 C ATOM 1710 O ALA A 111 -6.582 12.069 -0.276 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.247 12.532 -1.150 1.00 0.00 C ATOM 0 H ALA A 111 -9.095 13.869 0.969 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.587 11.070 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.064 11.795 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.293 12.836 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.612 13.402 -1.316 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.290 10.256 0.850 1.00 0.00 N ATOM 1718 CA LEU A 112 -5.961 9.664 0.951 1.00 0.00 C ATOM 1719 C LEU A 112 -5.475 9.181 -0.412 1.00 0.00 C ATOM 1720 O LEU A 112 -5.953 8.172 -0.932 1.00 0.00 O ATOM 1721 CB LEU A 112 -5.973 8.499 1.943 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.196 8.868 3.409 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.482 7.624 4.236 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.988 9.612 3.961 1.00 0.00 C ATOM 0 H LEU A 112 -8.031 9.704 1.283 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.275 10.431 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.754 7.800 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.023 7.970 1.863 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.063 9.526 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.638 7.907 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.377 7.132 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.636 6.940 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.164 9.867 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.105 8.978 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.829 10.525 3.387 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.520 9.907 -0.985 1.00 0.00 N ATOM 1737 CA VAL A 113 -3.966 9.551 -2.286 1.00 0.00 C ATOM 1738 C VAL A 113 -2.995 8.381 -2.169 1.00 0.00 C ATOM 1739 O VAL A 113 -2.110 8.361 -1.313 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.240 10.745 -2.932 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -2.599 10.332 -4.248 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.202 11.905 -3.139 1.00 0.00 C ATOM 0 H VAL A 113 -4.114 10.745 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.805 9.260 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.449 11.075 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.091 11.189 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.877 9.536 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.369 9.975 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.672 12.740 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.016 11.590 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.609 12.217 -2.177 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.161 7.383 -3.050 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.308 6.192 -3.067 1.00 0.00 C ATOM 1754 C PRO A 114 -0.891 6.501 -3.535 1.00 0.00 C ATOM 1755 O PRO A 114 -0.671 7.435 -4.307 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.011 5.266 -4.063 1.00 0.00 C ATOM 1757 CG PRO A 114 -3.776 6.181 -4.955 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.196 7.342 -4.098 1.00 0.00 C ATOM 0 HA PRO A 114 -2.191 5.760 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.292 4.673 -4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.672 4.565 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.161 6.515 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.644 5.676 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.229 8.271 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.190 7.192 -3.676 1.00 0.00 H new ATOM 1766 N PHE A 115 0.069 5.710 -3.066 1.00 0.00 N ATOM 1767 CA PHE A 115 1.467 5.900 -3.437 1.00 0.00 C ATOM 1768 C PHE A 115 1.924 4.814 -4.407 1.00 0.00 C ATOM 1769 O PHE A 115 1.662 3.629 -4.197 1.00 0.00 O ATOM 1770 CB PHE A 115 2.353 5.893 -2.191 1.00 0.00 C ATOM 1771 CG PHE A 115 3.809 6.109 -2.490 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.274 7.358 -2.871 1.00 0.00 C ATOM 1773 CD2 PHE A 115 4.713 5.064 -2.390 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.613 7.561 -3.146 1.00 0.00 C ATOM 1775 CE2 PHE A 115 6.054 5.261 -2.664 1.00 0.00 C ATOM 1776 CZ PHE A 115 6.504 6.510 -3.044 1.00 0.00 C ATOM 0 H PHE A 115 -0.096 4.931 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 115 1.558 6.867 -3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 115 2.011 6.670 -1.508 1.00 0.00 H new ATOM 0 HB3 PHE A 115 2.234 4.940 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.581 8.183 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.367 4.085 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.962 8.540 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.749 4.439 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.551 6.665 -3.261 1.00 0.00 H new ATOM 1786 N LEU A 116 2.607 5.226 -5.469 1.00 0.00 N ATOM 1787 CA LEU A 116 3.101 4.290 -6.473 1.00 0.00 C ATOM 1788 C LEU A 116 4.497 4.683 -6.943 1.00 0.00 C ATOM 1789 O LEU A 116 4.835 5.867 -7.000 1.00 0.00 O ATOM 1790 CB LEU A 116 2.145 4.237 -7.665 1.00 0.00 C ATOM 1791 CG LEU A 116 2.477 3.209 -8.747 1.00 0.00 C ATOM 1792 CD1 LEU A 116 2.314 1.796 -8.209 1.00 0.00 C ATOM 1793 CD2 LEU A 116 1.598 3.422 -9.971 1.00 0.00 C ATOM 0 H LEU A 116 2.832 6.203 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 116 3.156 3.302 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.142 4.031 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.117 5.224 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 116 3.517 3.344 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.555 1.078 -8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.986 1.649 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.284 1.647 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.847 2.682 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.550 3.314 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.766 4.422 -10.370 1.00 0.00 H new ATOM 1805 N LEU A 117 5.305 3.684 -7.281 1.00 0.00 N ATOM 1806 CA LEU A 117 6.665 3.925 -7.750 1.00 0.00 C ATOM 1807 C LEU A 117 7.064 2.905 -8.812 1.00 0.00 C ATOM 1808 O LEU A 117 7.233 1.722 -8.518 1.00 0.00 O ATOM 1809 CB LEU A 117 7.648 3.868 -6.578 1.00 0.00 C ATOM 1810 CG LEU A 117 8.896 4.741 -6.706 1.00 0.00 C ATOM 1811 CD1 LEU A 117 9.668 4.388 -7.967 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.517 6.216 -6.704 1.00 0.00 C ATOM 0 H LEU A 117 5.042 2.699 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 117 6.698 4.919 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.118 4.158 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.965 2.833 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 117 9.539 4.550 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.553 5.020 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.971 3.342 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.034 4.549 -8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.418 6.823 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.853 6.422 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.009 6.460 -5.771 1.00 0.00 H new ATOM 1824 N ASP A 118 7.214 3.372 -10.046 1.00 0.00 N ATOM 1825 CA ASP A 118 7.596 2.502 -11.152 1.00 0.00 C ATOM 1826 C ASP A 118 9.060 2.088 -11.037 1.00 0.00 C ATOM 1827 O ASP A 118 9.580 1.364 -11.888 1.00 0.00 O ATOM 1828 CB ASP A 118 7.356 3.206 -12.490 1.00 0.00 C ATOM 1829 CG ASP A 118 8.304 4.368 -12.711 1.00 0.00 C ATOM 1830 OD1 ASP A 118 8.026 5.467 -12.189 1.00 0.00 O ATOM 1831 OD2 ASP A 118 9.324 4.178 -13.406 1.00 0.00 O ATOM 0 H ASP A 118 7.077 4.349 -10.306 1.00 0.00 H new ATOM 0 HA ASP A 118 6.978 1.605 -11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.472 2.487 -13.301 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.328 3.567 -12.528 1.00 0.00 H new TER 1836 ASP A 118