USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 907 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 105 CYS SG : rot 45:sc= 0.774 USER MOD Set 1.2: A 106 ASN : amide:sc= -3.9! K(o=-3.1!,f=-2.1) USER MOD Set 2.1: A 46 SER OG : rot 83:sc= 0.819 USER MOD Set 2.2: A 98 GLN : amide:sc= 0.734 K(o=1.6,f=2.2) USER MOD Set 3.1: A 55 TYR OH : rot -126:sc= 0.0807 USER MOD Set 3.2: A 59 CYS SG : rot 140:sc= -5.76! USER MOD Set 4.1: A 18 GLN : amide:sc= -1.23! K(o=-1.1!,f=0.038) USER MOD Set 4.2: A 97 TYR OH : rot -157:sc= 0.125 USER MOD Set 5.1: A 8 GLN : amide:sc= 0.882 K(o=2.6,f=-15!) USER MOD Set 5.2: A 12 LYS NZ :NH3+ -126:sc= 1.7 (180deg=0.477) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.48 K(o=-0.48,f=-5.3!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.756 USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= 0.735 (180deg=0.142) USER MOD Single : A 26 GLN : amide:sc= -0.923 K(o=-0.92,f=-0.14) USER MOD Single : A 28 SER OG : rot -164:sc= 0.646 USER MOD Single : A 29 SER OG : rot 39:sc= 0.144 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0376) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.00077) USER MOD Single : A 43 TYR OH : rot -151:sc= 0.154 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -1.77! (180deg=-3.83!) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 0.967 (180deg=-0.141) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 72 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.57) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 76:sc= 0.872 USER MOD Single : A 86 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-2.8!) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.923 USER MOD Single : A 92 TYR OH : rot 35:sc= 0.0883 USER MOD Single : A 94 TYR OH : rot 54:sc= 0.545 USER MOD Single : A 96 MET CE :methyl 165:sc= -0.0668 (180deg=-0.44) USER MOD Single : A 99 SER OG : rot 156:sc= 0.675 USER MOD Single : A 102 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.2!) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0971 USER MOD Single : A 112 ASN : amide:sc= -0.899 K(o=-0.9,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 9.872 13.782 -4.989 1.00 0.00 N ATOM 46 CA GLU A 4 9.926 13.430 -3.565 1.00 0.00 C ATOM 47 C GLU A 4 9.872 11.907 -3.382 1.00 0.00 C ATOM 48 O GLU A 4 10.504 11.351 -2.482 1.00 0.00 O ATOM 49 CB GLU A 4 8.771 14.102 -2.804 1.00 0.00 C ATOM 50 CG GLU A 4 8.918 15.619 -2.648 1.00 0.00 C ATOM 51 CD GLU A 4 9.084 16.353 -3.973 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.131 16.359 -4.779 1.00 0.00 O ATOM 53 OE2 GLU A 4 10.173 16.917 -4.220 1.00 0.00 O ATOM 0 HA GLU A 4 10.870 13.792 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.837 13.891 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.693 13.652 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.041 16.010 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.780 15.829 -2.015 1.00 0.00 H new ATOM 60 N LEU A 5 9.116 11.247 -4.254 1.00 0.00 N ATOM 61 CA LEU A 5 9.025 9.787 -4.274 1.00 0.00 C ATOM 62 C LEU A 5 10.010 9.218 -5.297 1.00 0.00 C ATOM 63 O LEU A 5 10.604 8.159 -5.098 1.00 0.00 O ATOM 64 CB LEU A 5 7.598 9.361 -4.654 1.00 0.00 C ATOM 65 CG LEU A 5 7.346 7.843 -4.705 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.214 7.263 -3.299 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.114 7.521 -5.547 1.00 0.00 C ATOM 0 H LEU A 5 8.549 11.706 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 5 9.269 9.404 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.904 9.802 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.360 9.783 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 5 8.208 7.376 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.036 6.189 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.133 7.446 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.378 7.739 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.959 6.442 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.240 8.006 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.263 7.885 -6.564 1.00 0.00 H new ATOM 79 N GLU A 6 10.189 9.969 -6.375 1.00 0.00 N ATOM 80 CA GLU A 6 10.934 9.532 -7.557 1.00 0.00 C ATOM 81 C GLU A 6 12.444 9.749 -7.381 1.00 0.00 C ATOM 82 O GLU A 6 13.235 9.468 -8.285 1.00 0.00 O ATOM 83 CB GLU A 6 10.398 10.309 -8.771 1.00 0.00 C ATOM 84 CG GLU A 6 10.992 9.906 -10.112 1.00 0.00 C ATOM 85 CD GLU A 6 10.359 10.658 -11.274 1.00 0.00 C ATOM 86 OE1 GLU A 6 10.623 11.871 -11.420 1.00 0.00 O ATOM 87 OE2 GLU A 6 9.600 10.040 -12.048 1.00 0.00 O ATOM 0 H GLU A 6 9.816 10.915 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 6 10.791 8.462 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.317 10.179 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.585 11.371 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.066 10.094 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.857 8.834 -10.259 1.00 0.00 H new ATOM 94 N ALA A 7 12.823 10.258 -6.210 1.00 0.00 N ATOM 95 CA ALA A 7 14.220 10.549 -5.873 1.00 0.00 C ATOM 96 C ALA A 7 15.187 9.446 -6.322 1.00 0.00 C ATOM 97 O ALA A 7 16.115 9.708 -7.092 1.00 0.00 O ATOM 98 CB ALA A 7 14.353 10.785 -4.373 1.00 0.00 C ATOM 0 H ALA A 7 12.167 10.482 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 7 14.498 11.451 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.393 11.001 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.729 11.630 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.032 9.893 -3.835 1.00 0.00 H new ATOM 104 N GLN A 8 14.963 8.220 -5.849 1.00 0.00 N ATOM 105 CA GLN A 8 15.875 7.111 -6.130 1.00 0.00 C ATOM 106 C GLN A 8 15.701 6.633 -7.578 1.00 0.00 C ATOM 107 O GLN A 8 14.580 6.562 -8.092 1.00 0.00 O ATOM 108 CB GLN A 8 15.657 5.957 -5.133 1.00 0.00 C ATOM 109 CG GLN A 8 15.752 6.367 -3.658 1.00 0.00 C ATOM 110 CD GLN A 8 14.425 6.832 -3.058 1.00 0.00 C ATOM 111 OE1 GLN A 8 13.548 7.343 -3.752 1.00 0.00 O ATOM 112 NE2 GLN A 8 14.274 6.665 -1.754 1.00 0.00 N ATOM 0 H GLN A 8 14.160 7.970 -5.271 1.00 0.00 H new ATOM 0 HA GLN A 8 16.899 7.464 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.676 5.518 -5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.395 5.179 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.125 5.522 -3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.484 7.168 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.020 6.238 -1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.412 6.963 -1.298 1.00 0.00 H new ATOM 121 N THR A 9 16.808 6.268 -8.219 1.00 0.00 N ATOM 122 CA THR A 9 16.840 6.112 -9.673 1.00 0.00 C ATOM 123 C THR A 9 16.570 4.673 -10.140 1.00 0.00 C ATOM 124 O THR A 9 17.106 3.710 -9.595 1.00 0.00 O ATOM 125 CB THR A 9 18.201 6.590 -10.230 1.00 0.00 C ATOM 126 OG1 THR A 9 18.548 7.855 -9.643 1.00 0.00 O ATOM 127 CG2 THR A 9 18.162 6.735 -11.748 1.00 0.00 C ATOM 0 H THR A 9 17.696 6.074 -7.756 1.00 0.00 H new ATOM 0 HA THR A 9 16.031 6.729 -10.064 1.00 0.00 H new ATOM 0 HB THR A 9 18.949 5.840 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.412 8.154 -9.997 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.135 7.072 -12.106 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.923 5.772 -12.199 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.400 7.464 -12.024 1.00 0.00 H new ATOM 135 N ARG A 10 15.710 4.575 -11.162 1.00 0.00 N ATOM 136 CA ARG A 10 15.333 3.317 -11.836 1.00 0.00 C ATOM 137 C ARG A 10 14.701 2.300 -10.880 1.00 0.00 C ATOM 138 O ARG A 10 14.399 1.170 -11.268 1.00 0.00 O ATOM 139 CB ARG A 10 16.548 2.689 -12.543 1.00 0.00 C ATOM 140 CG ARG A 10 16.178 1.576 -13.526 1.00 0.00 C ATOM 141 CD ARG A 10 17.405 0.858 -14.072 1.00 0.00 C ATOM 142 NE ARG A 10 18.121 0.119 -13.027 1.00 0.00 N ATOM 143 CZ ARG A 10 19.449 0.037 -12.944 1.00 0.00 C ATOM 144 NH1 ARG A 10 20.216 0.692 -13.808 1.00 0.00 N ATOM 145 NH2 ARG A 10 20.010 -0.696 -11.993 1.00 0.00 N ATOM 0 H ARG A 10 15.241 5.390 -11.557 1.00 0.00 H new ATOM 0 HA ARG A 10 14.578 3.579 -12.578 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.090 3.469 -13.078 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.227 2.287 -11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.529 0.855 -13.028 1.00 0.00 H new ATOM 0 HG3 ARG A 10 15.609 1.999 -14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.101 0.169 -14.860 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.078 1.585 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 10 17.568 -0.363 -12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.789 1.261 -14.539 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.232 0.626 -13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.426 -1.198 -11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.026 -0.758 -11.930 1.00 0.00 H new ATOM 159 N VAL A 11 14.472 2.705 -9.642 1.00 0.00 N ATOM 160 CA VAL A 11 13.743 1.877 -8.693 1.00 0.00 C ATOM 161 C VAL A 11 12.385 2.498 -8.409 1.00 0.00 C ATOM 162 O VAL A 11 11.371 1.802 -8.345 1.00 0.00 O ATOM 163 CB VAL A 11 14.538 1.659 -7.376 1.00 0.00 C ATOM 164 CG1 VAL A 11 14.924 2.988 -6.734 1.00 0.00 C ATOM 165 CG2 VAL A 11 13.744 0.788 -6.400 1.00 0.00 C ATOM 0 H VAL A 11 14.780 3.603 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 11 13.603 0.894 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 11 15.460 1.134 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.479 2.800 -5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.546 3.558 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.023 3.556 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.320 0.649 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.799 1.276 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.547 -0.182 -6.856 1.00 0.00 H new ATOM 175 N LYS A 12 12.364 3.822 -8.270 1.00 0.00 N ATOM 176 CA LYS A 12 11.113 4.529 -8.047 1.00 0.00 C ATOM 177 C LYS A 12 10.439 4.788 -9.391 1.00 0.00 C ATOM 178 O LYS A 12 9.222 4.717 -9.506 1.00 0.00 O ATOM 179 CB LYS A 12 11.352 5.847 -7.292 1.00 0.00 C ATOM 180 CG LYS A 12 12.290 5.717 -6.091 1.00 0.00 C ATOM 181 CD LYS A 12 11.802 4.705 -5.051 1.00 0.00 C ATOM 182 CE LYS A 12 10.655 5.240 -4.195 1.00 0.00 C ATOM 183 NZ LYS A 12 11.087 6.328 -3.277 1.00 0.00 N ATOM 0 H LYS A 12 13.191 4.418 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 12 10.460 3.913 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.765 6.580 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.393 6.237 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.279 5.420 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.399 6.692 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.477 3.797 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.634 4.427 -4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.863 5.611 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.231 4.423 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.816 6.088 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.120 6.439 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.628 7.219 -3.554 1.00 0.00 H new ATOM 197 N LEU A 13 11.266 5.046 -10.407 1.00 0.00 N ATOM 198 CA LEU A 13 10.793 5.324 -11.768 1.00 0.00 C ATOM 199 C LEU A 13 9.844 4.234 -12.272 1.00 0.00 C ATOM 200 O LEU A 13 8.658 4.485 -12.497 1.00 0.00 O ATOM 201 CB LEU A 13 11.989 5.439 -12.729 1.00 0.00 C ATOM 202 CG LEU A 13 12.948 6.614 -12.468 1.00 0.00 C ATOM 203 CD1 LEU A 13 14.174 6.523 -13.374 1.00 0.00 C ATOM 204 CD2 LEU A 13 12.233 7.947 -12.673 1.00 0.00 C ATOM 0 H LEU A 13 12.281 5.068 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 13 10.246 6.266 -11.738 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.560 4.512 -12.681 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.607 5.526 -13.746 1.00 0.00 H new ATOM 0 HG LEU A 13 13.281 6.556 -11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.838 7.363 -13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.701 5.589 -13.180 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.859 6.552 -14.417 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.928 8.765 -12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.868 8.010 -13.698 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.392 8.018 -11.984 1.00 0.00 H new ATOM 216 N ASN A 14 10.375 3.021 -12.426 1.00 0.00 N ATOM 217 CA ASN A 14 9.631 1.915 -13.034 1.00 0.00 C ATOM 218 C ASN A 14 8.370 1.607 -12.231 1.00 0.00 C ATOM 219 O ASN A 14 7.270 1.494 -12.782 1.00 0.00 O ATOM 220 CB ASN A 14 10.519 0.662 -13.128 1.00 0.00 C ATOM 221 CG ASN A 14 11.814 0.907 -13.893 1.00 0.00 C ATOM 222 OD1 ASN A 14 12.362 2.011 -13.878 1.00 0.00 O ATOM 223 ND2 ASN A 14 12.316 -0.120 -14.560 1.00 0.00 N ATOM 0 H ASN A 14 11.322 2.778 -12.137 1.00 0.00 H new ATOM 0 HA ASN A 14 9.335 2.214 -14.040 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.757 0.316 -12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.961 -0.137 -13.616 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.184 -0.012 -15.084 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.835 -1.019 -14.550 1.00 0.00 H new ATOM 230 N TYR A 15 8.543 1.495 -10.919 1.00 0.00 N ATOM 231 CA TYR A 15 7.439 1.212 -10.011 1.00 0.00 C ATOM 232 C TYR A 15 6.372 2.300 -10.118 1.00 0.00 C ATOM 233 O TYR A 15 5.182 2.004 -10.120 1.00 0.00 O ATOM 234 CB TYR A 15 7.969 1.119 -8.576 1.00 0.00 C ATOM 235 CG TYR A 15 6.945 0.701 -7.527 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.011 1.609 -7.030 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.938 -0.589 -7.008 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.102 1.241 -6.059 1.00 0.00 C ATOM 239 CE2 TYR A 15 6.033 -0.961 -6.033 1.00 0.00 C ATOM 240 CZ TYR A 15 5.118 -0.044 -5.562 1.00 0.00 C ATOM 241 OH TYR A 15 4.220 -0.413 -4.589 1.00 0.00 O ATOM 0 H TYR A 15 9.447 1.597 -10.457 1.00 0.00 H new ATOM 0 HA TYR A 15 6.983 0.260 -10.285 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.795 0.408 -8.557 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.378 2.089 -8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.999 2.619 -7.412 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.652 -1.312 -7.373 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.382 1.957 -5.691 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.042 -1.967 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 15 4.365 -1.352 -4.349 1.00 0.00 H new ATOM 251 N LEU A 16 6.814 3.555 -10.216 1.00 0.00 N ATOM 252 CA LEU A 16 5.902 4.696 -10.303 1.00 0.00 C ATOM 253 C LEU A 16 5.092 4.600 -11.590 1.00 0.00 C ATOM 254 O LEU A 16 3.871 4.750 -11.582 1.00 0.00 O ATOM 255 CB LEU A 16 6.693 6.021 -10.244 1.00 0.00 C ATOM 256 CG LEU A 16 5.889 7.299 -9.910 1.00 0.00 C ATOM 257 CD1 LEU A 16 6.836 8.446 -9.562 1.00 0.00 C ATOM 258 CD2 LEU A 16 4.970 7.714 -11.061 1.00 0.00 C ATOM 0 H LEU A 16 7.802 3.807 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 16 5.217 4.679 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.483 5.912 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.181 6.169 -11.208 1.00 0.00 H new ATOM 0 HG LEU A 16 5.261 7.071 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.256 9.339 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.440 8.170 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.489 8.649 -10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.424 8.616 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.568 7.911 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.262 6.911 -11.269 1.00 0.00 H new ATOM 270 N ASP A 17 5.782 4.322 -12.690 1.00 0.00 N ATOM 271 CA ASP A 17 5.145 4.218 -14.000 1.00 0.00 C ATOM 272 C ASP A 17 4.051 3.150 -13.989 1.00 0.00 C ATOM 273 O ASP A 17 2.950 3.364 -14.502 1.00 0.00 O ATOM 274 CB ASP A 17 6.192 3.899 -15.075 1.00 0.00 C ATOM 275 CG ASP A 17 5.594 3.808 -16.473 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.190 4.856 -17.020 1.00 0.00 O ATOM 277 OD2 ASP A 17 5.544 2.694 -17.039 1.00 0.00 O ATOM 0 H ASP A 17 6.790 4.163 -12.701 1.00 0.00 H new ATOM 0 HA ASP A 17 4.682 5.177 -14.234 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.963 4.669 -15.064 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.680 2.955 -14.831 1.00 0.00 H new ATOM 282 N GLN A 18 4.360 2.001 -13.392 1.00 0.00 N ATOM 283 CA GLN A 18 3.392 0.913 -13.271 1.00 0.00 C ATOM 284 C GLN A 18 2.251 1.304 -12.330 1.00 0.00 C ATOM 285 O GLN A 18 1.072 1.265 -12.705 1.00 0.00 O ATOM 286 CB GLN A 18 4.082 -0.355 -12.748 1.00 0.00 C ATOM 287 CG GLN A 18 3.144 -1.552 -12.593 1.00 0.00 C ATOM 288 CD GLN A 18 3.783 -2.724 -11.864 1.00 0.00 C ATOM 289 OE1 GLN A 18 3.467 -3.885 -12.129 1.00 0.00 O ATOM 290 NE2 GLN A 18 4.661 -2.424 -10.916 1.00 0.00 N ATOM 0 H GLN A 18 5.273 1.799 -12.984 1.00 0.00 H new ATOM 0 HA GLN A 18 2.978 0.716 -14.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.889 -0.624 -13.429 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.539 -0.136 -11.783 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.252 -1.238 -12.051 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.818 -1.880 -13.580 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.895 -1.449 -10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.102 -3.168 -10.375 1.00 0.00 H new ATOM 299 N ILE A 19 2.628 1.706 -11.114 1.00 0.00 N ATOM 300 CA ILE A 19 1.677 1.994 -10.040 1.00 0.00 C ATOM 301 C ILE A 19 0.771 3.168 -10.419 1.00 0.00 C ATOM 302 O ILE A 19 -0.305 3.352 -9.846 1.00 0.00 O ATOM 303 CB ILE A 19 2.420 2.311 -8.706 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.514 2.068 -7.489 1.00 0.00 C ATOM 305 CG2 ILE A 19 2.951 3.741 -8.694 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.345 0.603 -7.144 1.00 0.00 C ATOM 0 H ILE A 19 3.603 1.841 -10.847 1.00 0.00 H new ATOM 0 HA ILE A 19 1.063 1.105 -9.895 1.00 0.00 H new ATOM 0 HB ILE A 19 3.269 1.630 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.929 2.590 -6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.534 2.503 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.464 3.931 -7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.649 3.877 -9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.120 4.438 -8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.694 0.507 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.901 0.079 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.318 0.168 -6.918 1.00 0.00 H new ATOM 318 N ALA A 20 1.226 3.970 -11.376 1.00 0.00 N ATOM 319 CA ALA A 20 0.434 5.076 -11.890 1.00 0.00 C ATOM 320 C ALA A 20 -0.498 4.590 -12.991 1.00 0.00 C ATOM 321 O ALA A 20 -1.717 4.599 -12.832 1.00 0.00 O ATOM 322 CB ALA A 20 1.338 6.191 -12.410 1.00 0.00 C ATOM 0 H ALA A 20 2.143 3.872 -11.811 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.168 5.477 -11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.725 7.009 -12.790 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.968 6.556 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.967 5.805 -13.213 1.00 0.00 H new ATOM 328 N LYS A 21 0.091 4.119 -14.091 1.00 0.00 N ATOM 329 CA LYS A 21 -0.669 3.775 -15.291 1.00 0.00 C ATOM 330 C LYS A 21 -1.778 2.765 -15.007 1.00 0.00 C ATOM 331 O LYS A 21 -2.913 2.972 -15.432 1.00 0.00 O ATOM 332 CB LYS A 21 0.261 3.248 -16.397 1.00 0.00 C ATOM 333 CG LYS A 21 1.240 4.284 -16.969 1.00 0.00 C ATOM 334 CD LYS A 21 0.563 5.309 -17.894 1.00 0.00 C ATOM 335 CE LYS A 21 -0.198 6.394 -17.135 1.00 0.00 C ATOM 336 NZ LYS A 21 0.698 7.230 -16.291 1.00 0.00 N ATOM 0 H LYS A 21 1.096 3.967 -14.175 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.145 4.693 -15.635 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.833 2.409 -16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.351 2.860 -17.211 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.724 4.810 -16.146 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.024 3.767 -17.522 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.320 5.778 -18.522 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.126 4.789 -18.559 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.722 7.032 -17.847 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.957 5.929 -16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.329 7.263 -15.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.653 6.818 -16.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.740 8.194 -16.678 1.00 0.00 H new ATOM 350 N PHE A 22 -1.466 1.689 -14.286 1.00 0.00 N ATOM 351 CA PHE A 22 -2.467 0.661 -14.006 1.00 0.00 C ATOM 352 C PHE A 22 -3.705 1.285 -13.362 1.00 0.00 C ATOM 353 O PHE A 22 -4.807 1.214 -13.908 1.00 0.00 O ATOM 354 CB PHE A 22 -1.892 -0.438 -13.096 1.00 0.00 C ATOM 355 CG PHE A 22 -2.925 -1.437 -12.621 1.00 0.00 C ATOM 356 CD1 PHE A 22 -3.353 -2.471 -13.443 1.00 0.00 C ATOM 357 CD2 PHE A 22 -3.470 -1.335 -11.348 1.00 0.00 C ATOM 358 CE1 PHE A 22 -4.300 -3.378 -13.001 1.00 0.00 C ATOM 359 CE2 PHE A 22 -4.413 -2.236 -10.901 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.830 -3.261 -11.727 1.00 0.00 C ATOM 0 H PHE A 22 -0.543 1.508 -13.891 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.754 0.203 -14.953 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.107 -0.969 -13.634 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.425 0.028 -12.229 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.943 -2.568 -14.437 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.149 -0.536 -10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.626 -4.177 -13.650 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.825 -2.140 -9.907 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.568 -3.970 -11.380 1.00 0.00 H new ATOM 370 N TRP A 23 -3.497 1.929 -12.223 1.00 0.00 N ATOM 371 CA TRP A 23 -4.585 2.498 -11.439 1.00 0.00 C ATOM 372 C TRP A 23 -5.289 3.632 -12.189 1.00 0.00 C ATOM 373 O TRP A 23 -6.510 3.776 -12.099 1.00 0.00 O ATOM 374 CB TRP A 23 -4.051 2.984 -10.086 1.00 0.00 C ATOM 375 CG TRP A 23 -5.103 3.539 -9.168 1.00 0.00 C ATOM 376 CD1 TRP A 23 -5.023 4.696 -8.453 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.384 2.968 -8.864 1.00 0.00 C ATOM 378 NE1 TRP A 23 -6.173 4.886 -7.731 1.00 0.00 N ATOM 379 CE2 TRP A 23 -7.024 3.838 -7.962 1.00 0.00 C ATOM 380 CE3 TRP A 23 -7.055 1.810 -9.268 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.296 3.586 -7.457 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.318 1.562 -8.768 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.927 2.446 -7.870 1.00 0.00 C ATOM 0 H TRP A 23 -2.572 2.072 -11.817 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.327 1.718 -11.269 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.551 2.154 -9.587 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.297 3.751 -10.261 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.176 5.366 -8.455 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.364 5.680 -7.120 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.593 1.121 -9.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.768 4.267 -6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.845 0.671 -9.075 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.915 2.223 -7.496 1.00 0.00 H new ATOM 394 N GLU A 24 -4.529 4.425 -12.946 1.00 0.00 N ATOM 395 CA GLU A 24 -5.116 5.536 -13.690 1.00 0.00 C ATOM 396 C GLU A 24 -6.039 5.009 -14.790 1.00 0.00 C ATOM 397 O GLU A 24 -7.105 5.576 -15.049 1.00 0.00 O ATOM 398 CB GLU A 24 -4.030 6.447 -14.291 1.00 0.00 C ATOM 399 CG GLU A 24 -3.208 7.204 -13.248 1.00 0.00 C ATOM 400 CD GLU A 24 -2.238 8.204 -13.867 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.126 7.800 -14.276 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.589 9.402 -13.953 1.00 0.00 O ATOM 0 H GLU A 24 -3.521 4.320 -13.058 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.702 6.134 -12.992 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.358 5.842 -14.899 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.503 7.167 -14.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.883 7.731 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.649 6.489 -12.645 1.00 0.00 H new ATOM 409 N ILE A 25 -5.643 3.904 -15.419 1.00 0.00 N ATOM 410 CA ILE A 25 -6.430 3.307 -16.497 1.00 0.00 C ATOM 411 C ILE A 25 -7.576 2.462 -15.929 1.00 0.00 C ATOM 412 O ILE A 25 -8.515 2.104 -16.645 1.00 0.00 O ATOM 413 CB ILE A 25 -5.542 2.455 -17.451 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.402 3.318 -18.029 1.00 0.00 C ATOM 415 CG2 ILE A 25 -6.368 1.835 -18.582 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.872 4.570 -18.744 1.00 0.00 C ATOM 0 H ILE A 25 -4.781 3.404 -15.201 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.856 4.122 -17.082 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.112 1.640 -16.870 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.732 3.606 -17.219 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.820 2.713 -18.724 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.716 1.247 -19.229 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.137 1.189 -18.159 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.839 2.627 -19.165 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.009 5.120 -19.120 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.517 4.292 -19.578 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.428 5.199 -18.049 1.00 0.00 H new ATOM 428 N GLN A 26 -7.519 2.177 -14.629 1.00 0.00 N ATOM 429 CA GLN A 26 -8.616 1.481 -13.945 1.00 0.00 C ATOM 430 C GLN A 26 -9.800 2.422 -13.697 1.00 0.00 C ATOM 431 O GLN A 26 -10.717 2.094 -12.942 1.00 0.00 O ATOM 432 CB GLN A 26 -8.133 0.877 -12.616 1.00 0.00 C ATOM 433 CG GLN A 26 -7.207 -0.325 -12.780 1.00 0.00 C ATOM 434 CD GLN A 26 -7.864 -1.498 -13.493 1.00 0.00 C ATOM 435 OE1 GLN A 26 -7.202 -2.263 -14.196 1.00 0.00 O ATOM 436 NE2 GLN A 26 -9.165 -1.670 -13.302 1.00 0.00 N ATOM 0 H GLN A 26 -6.730 2.415 -14.028 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.951 0.673 -14.596 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.614 1.648 -12.046 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.001 0.577 -12.029 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.322 -0.019 -13.338 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.868 -0.650 -11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.685 -1.018 -12.714 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.646 -2.454 -13.743 1.00 0.00 H new ATOM 445 N GLY A 27 -9.779 3.589 -14.341 1.00 0.00 N ATOM 446 CA GLY A 27 -10.876 4.534 -14.224 1.00 0.00 C ATOM 447 C GLY A 27 -10.760 5.387 -12.981 1.00 0.00 C ATOM 448 O GLY A 27 -11.766 5.754 -12.369 1.00 0.00 O ATOM 0 H GLY A 27 -9.016 3.896 -14.945 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.896 5.177 -15.104 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.821 3.991 -14.204 1.00 0.00 H new ATOM 452 N SER A 28 -9.526 5.697 -12.606 1.00 0.00 N ATOM 453 CA SER A 28 -9.252 6.498 -11.420 1.00 0.00 C ATOM 454 C SER A 28 -7.981 7.320 -11.629 1.00 0.00 C ATOM 455 O SER A 28 -7.453 7.390 -12.743 1.00 0.00 O ATOM 456 CB SER A 28 -9.125 5.589 -10.188 1.00 0.00 C ATOM 457 OG SER A 28 -9.018 6.352 -8.994 1.00 0.00 O ATOM 0 H SER A 28 -8.691 5.402 -13.112 1.00 0.00 H new ATOM 0 HA SER A 28 -10.080 7.186 -11.250 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.993 4.933 -10.126 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.249 4.950 -10.294 1.00 0.00 H new ATOM 0 HG SER A 28 -8.693 5.780 -8.268 1.00 0.00 H new ATOM 463 N SER A 29 -7.509 7.958 -10.568 1.00 0.00 N ATOM 464 CA SER A 29 -6.283 8.740 -10.614 1.00 0.00 C ATOM 465 C SER A 29 -5.458 8.477 -9.358 1.00 0.00 C ATOM 466 O SER A 29 -5.953 8.644 -8.240 1.00 0.00 O ATOM 467 CB SER A 29 -6.614 10.233 -10.752 1.00 0.00 C ATOM 468 OG SER A 29 -7.531 10.652 -9.755 1.00 0.00 O ATOM 0 H SER A 29 -7.963 7.948 -9.655 1.00 0.00 H new ATOM 0 HA SER A 29 -5.696 8.442 -11.482 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.698 10.819 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.034 10.425 -11.739 1.00 0.00 H new ATOM 0 HG SER A 29 -7.316 10.211 -8.907 1.00 0.00 H new ATOM 474 N LEU A 30 -4.213 8.048 -9.549 1.00 0.00 N ATOM 475 CA LEU A 30 -3.341 7.689 -8.437 1.00 0.00 C ATOM 476 C LEU A 30 -3.071 8.888 -7.537 1.00 0.00 C ATOM 477 O LEU A 30 -2.618 9.938 -8.004 1.00 0.00 O ATOM 478 CB LEU A 30 -2.011 7.118 -8.950 1.00 0.00 C ATOM 479 CG LEU A 30 -1.017 6.696 -7.851 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.573 5.538 -7.024 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.332 6.324 -8.456 1.00 0.00 C ATOM 0 H LEU A 30 -3.785 7.941 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.855 6.925 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.223 6.253 -9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.533 7.864 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.872 7.547 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.851 5.260 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.507 5.844 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.758 4.683 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.018 6.029 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.203 5.494 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.741 7.182 -8.989 1.00 0.00 H new ATOM 493 N LYS A 31 -3.351 8.725 -6.250 1.00 0.00 N ATOM 494 CA LYS A 31 -3.058 9.750 -5.258 1.00 0.00 C ATOM 495 C LYS A 31 -2.509 9.110 -3.987 1.00 0.00 C ATOM 496 O LYS A 31 -3.245 8.465 -3.235 1.00 0.00 O ATOM 497 CB LYS A 31 -4.311 10.582 -4.938 1.00 0.00 C ATOM 498 CG LYS A 31 -4.087 11.629 -3.845 1.00 0.00 C ATOM 499 CD LYS A 31 -2.996 12.629 -4.227 1.00 0.00 C ATOM 500 CE LYS A 31 -2.639 13.555 -3.067 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.812 14.326 -2.575 1.00 0.00 N ATOM 0 H LYS A 31 -3.784 7.885 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.304 10.419 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.646 11.083 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.113 9.912 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.019 12.163 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.813 11.130 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.105 12.089 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.331 13.224 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.226 12.965 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.860 14.248 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.501 15.012 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.253 14.831 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.503 13.674 -2.153 1.00 0.00 H new ATOM 515 N ILE A 32 -1.210 9.272 -3.774 1.00 0.00 N ATOM 516 CA ILE A 32 -0.558 8.824 -2.550 1.00 0.00 C ATOM 517 C ILE A 32 -0.165 10.039 -1.706 1.00 0.00 C ATOM 518 O ILE A 32 0.802 10.740 -2.012 1.00 0.00 O ATOM 519 CB ILE A 32 0.679 7.930 -2.843 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.597 8.581 -3.895 1.00 0.00 C ATOM 521 CG2 ILE A 32 0.235 6.538 -3.297 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.811 7.747 -4.247 1.00 0.00 C ATOM 0 H ILE A 32 -0.580 9.716 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.265 8.210 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 32 1.251 7.827 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.021 8.767 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.929 9.550 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.113 5.924 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.361 6.072 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.363 6.625 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.408 8.271 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.411 7.582 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.488 6.787 -4.649 1.00 0.00 H new ATOM 534 N PRO A 33 -0.952 10.332 -0.657 1.00 0.00 N ATOM 535 CA PRO A 33 -0.753 11.512 0.191 1.00 0.00 C ATOM 536 C PRO A 33 0.490 11.398 1.072 1.00 0.00 C ATOM 537 O PRO A 33 1.258 10.430 0.978 1.00 0.00 O ATOM 538 CB PRO A 33 -2.031 11.562 1.056 1.00 0.00 C ATOM 539 CG PRO A 33 -2.973 10.588 0.429 1.00 0.00 C ATOM 540 CD PRO A 33 -2.109 9.544 -0.209 1.00 0.00 C ATOM 0 HA PRO A 33 -0.594 12.412 -0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.816 11.291 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.456 12.566 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.634 10.147 1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.607 11.077 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.822 8.765 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.613 9.051 -1.040 1.00 0.00 H new ATOM 548 N ASN A 34 0.676 12.390 1.937 1.00 0.00 N ATOM 549 CA ASN A 34 1.807 12.415 2.849 1.00 0.00 C ATOM 550 C ASN A 34 1.334 12.519 4.282 1.00 0.00 C ATOM 551 O ASN A 34 0.316 13.146 4.580 1.00 0.00 O ATOM 552 CB ASN A 34 2.764 13.573 2.525 1.00 0.00 C ATOM 553 CG ASN A 34 2.124 14.948 2.681 1.00 0.00 C ATOM 554 OD1 ASN A 34 2.167 15.548 3.756 1.00 0.00 O ATOM 555 ND2 ASN A 34 1.524 15.456 1.616 1.00 0.00 N ATOM 0 H ASN A 34 0.051 13.191 2.023 1.00 0.00 H new ATOM 0 HA ASN A 34 2.351 11.479 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.634 13.509 3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.124 13.462 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.078 16.372 1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.507 14.932 0.741 1.00 0.00 H new ATOM 562 N VAL A 35 2.084 11.885 5.156 1.00 0.00 N ATOM 563 CA VAL A 35 1.802 11.894 6.578 1.00 0.00 C ATOM 564 C VAL A 35 3.114 12.040 7.342 1.00 0.00 C ATOM 565 O VAL A 35 4.136 11.486 6.927 1.00 0.00 O ATOM 566 CB VAL A 35 1.049 10.611 7.029 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.893 9.359 6.791 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.621 10.716 8.493 1.00 0.00 C ATOM 0 H VAL A 35 2.911 11.345 4.901 1.00 0.00 H new ATOM 0 HA VAL A 35 1.148 12.738 6.796 1.00 0.00 H new ATOM 0 HB VAL A 35 0.149 10.522 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.338 8.479 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.122 9.271 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.821 9.433 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.096 9.806 8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.502 10.844 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.041 11.573 8.618 1.00 0.00 H new ATOM 578 N GLU A 36 3.101 12.825 8.420 1.00 0.00 N ATOM 579 CA GLU A 36 4.305 13.055 9.221 1.00 0.00 C ATOM 580 C GLU A 36 5.403 13.692 8.372 1.00 0.00 C ATOM 581 O GLU A 36 6.582 13.559 8.682 1.00 0.00 O ATOM 582 CB GLU A 36 4.798 11.752 9.858 1.00 0.00 C ATOM 583 CG GLU A 36 3.746 11.042 10.706 1.00 0.00 C ATOM 584 CD GLU A 36 3.002 11.984 11.643 1.00 0.00 C ATOM 585 OE1 GLU A 36 3.638 12.551 12.557 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.782 12.178 11.464 1.00 0.00 O ATOM 0 H GLU A 36 2.271 13.312 8.759 1.00 0.00 H new ATOM 0 HA GLU A 36 4.049 13.746 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.131 11.077 9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.666 11.969 10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.029 10.551 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.228 10.260 11.293 1.00 0.00 H new ATOM 593 N ARG A 37 4.967 14.338 7.286 1.00 0.00 N ATOM 594 CA ARG A 37 5.813 15.106 6.349 1.00 0.00 C ATOM 595 C ARG A 37 6.621 14.197 5.419 1.00 0.00 C ATOM 596 O ARG A 37 7.551 14.649 4.748 1.00 0.00 O ATOM 597 CB ARG A 37 6.719 16.134 7.073 1.00 0.00 C ATOM 598 CG ARG A 37 8.055 15.594 7.597 1.00 0.00 C ATOM 599 CD ARG A 37 8.306 16.027 9.038 1.00 0.00 C ATOM 600 NE ARG A 37 8.416 17.483 9.163 1.00 0.00 N ATOM 601 CZ ARG A 37 7.553 18.251 9.832 1.00 0.00 C ATOM 602 NH1 ARG A 37 6.471 17.721 10.386 1.00 0.00 N ATOM 603 NH2 ARG A 37 7.766 19.552 9.924 1.00 0.00 N ATOM 0 H ARG A 37 3.982 14.345 7.020 1.00 0.00 H new ATOM 0 HA ARG A 37 5.128 15.677 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.925 16.955 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.163 16.552 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.057 14.506 7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.867 15.950 6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.494 15.669 9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.222 15.562 9.402 1.00 0.00 H new ATOM 0 HE ARG A 37 9.206 17.941 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.294 16.720 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.816 18.314 10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.588 19.967 9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.109 20.142 10.434 1.00 0.00 H new ATOM 617 N ARG A 38 6.241 12.923 5.350 1.00 0.00 N ATOM 618 CA ARG A 38 6.804 12.012 4.355 1.00 0.00 C ATOM 619 C ARG A 38 5.688 11.446 3.483 1.00 0.00 C ATOM 620 O ARG A 38 4.585 11.188 3.967 1.00 0.00 O ATOM 621 CB ARG A 38 7.589 10.864 5.011 1.00 0.00 C ATOM 622 CG ARG A 38 8.138 9.868 3.986 1.00 0.00 C ATOM 623 CD ARG A 38 8.953 8.745 4.616 1.00 0.00 C ATOM 624 NE ARG A 38 9.352 7.755 3.612 1.00 0.00 N ATOM 625 CZ ARG A 38 10.443 6.993 3.683 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.287 7.109 4.700 1.00 0.00 N ATOM 627 NH2 ARG A 38 10.695 6.127 2.714 1.00 0.00 N ATOM 0 H ARG A 38 5.549 12.499 5.968 1.00 0.00 H new ATOM 0 HA ARG A 38 7.501 12.580 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.415 11.277 5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.940 10.339 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.307 9.436 3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.761 10.402 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.840 9.160 5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.367 8.260 5.397 1.00 0.00 H new ATOM 0 HE ARG A 38 8.749 7.640 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.104 7.787 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.118 6.520 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.057 6.048 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.527 5.539 2.759 1.00 0.00 H new ATOM 641 N ILE A 39 5.976 11.272 2.197 1.00 0.00 N ATOM 642 CA ILE A 39 5.013 10.702 1.260 1.00 0.00 C ATOM 643 C ILE A 39 4.873 9.196 1.499 1.00 0.00 C ATOM 644 O ILE A 39 5.835 8.530 1.892 1.00 0.00 O ATOM 645 CB ILE A 39 5.426 10.978 -0.213 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.357 10.454 -1.190 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.792 10.360 -0.521 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.649 10.768 -2.643 1.00 0.00 C ATOM 0 H ILE A 39 6.873 11.519 1.778 1.00 0.00 H new ATOM 0 HA ILE A 39 4.050 11.182 1.433 1.00 0.00 H new ATOM 0 HB ILE A 39 5.505 12.057 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.269 9.374 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.392 10.884 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.059 10.566 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.544 10.791 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.747 9.282 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.852 10.367 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.707 11.848 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.598 10.315 -2.930 1.00 0.00 H new ATOM 660 N LEU A 40 3.672 8.670 1.284 1.00 0.00 N ATOM 661 CA LEU A 40 3.410 7.253 1.500 1.00 0.00 C ATOM 662 C LEU A 40 4.107 6.398 0.435 1.00 0.00 C ATOM 663 O LEU A 40 3.636 6.297 -0.702 1.00 0.00 O ATOM 664 CB LEU A 40 1.895 6.985 1.492 1.00 0.00 C ATOM 665 CG LEU A 40 1.480 5.529 1.776 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.967 5.083 3.154 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.034 5.367 1.656 1.00 0.00 C ATOM 0 H LEU A 40 2.865 9.204 0.960 1.00 0.00 H new ATOM 0 HA LEU A 40 3.813 6.976 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.425 7.630 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.497 7.275 0.520 1.00 0.00 H new ATOM 0 HG LEU A 40 1.951 4.890 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.662 4.052 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.054 5.152 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.533 5.727 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.306 4.332 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.528 6.021 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.350 5.633 0.647 1.00 0.00 H new ATOM 679 N ASP A 41 5.241 5.803 0.803 1.00 0.00 N ATOM 680 CA ASP A 41 5.953 4.889 -0.089 1.00 0.00 C ATOM 681 C ASP A 41 5.185 3.578 -0.217 1.00 0.00 C ATOM 682 O ASP A 41 5.352 2.663 0.597 1.00 0.00 O ATOM 683 CB ASP A 41 7.386 4.597 0.407 1.00 0.00 C ATOM 684 CG ASP A 41 8.358 5.744 0.163 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.962 5.799 -0.935 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.548 6.571 1.078 1.00 0.00 O ATOM 0 H ASP A 41 5.686 5.937 1.711 1.00 0.00 H new ATOM 0 HA ASP A 41 6.025 5.376 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.355 4.378 1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.759 3.702 -0.091 1.00 0.00 H new ATOM 691 N LEU A 42 4.332 3.500 -1.237 1.00 0.00 N ATOM 692 CA LEU A 42 3.562 2.287 -1.531 1.00 0.00 C ATOM 693 C LEU A 42 4.520 1.096 -1.694 1.00 0.00 C ATOM 694 O LEU A 42 4.142 -0.060 -1.512 1.00 0.00 O ATOM 695 CB LEU A 42 2.717 2.507 -2.806 1.00 0.00 C ATOM 696 CG LEU A 42 1.357 1.776 -2.864 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.506 2.317 -4.014 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.543 0.266 -3.004 1.00 0.00 C ATOM 0 H LEU A 42 4.154 4.270 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 42 2.883 2.067 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.535 3.576 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.309 2.195 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 42 0.838 1.964 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.448 1.791 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.329 3.382 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.030 2.164 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.567 -0.219 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.091 0.050 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.103 -0.112 -2.149 1.00 0.00 H new ATOM 710 N TYR A 43 5.769 1.413 -2.022 1.00 0.00 N ATOM 711 CA TYR A 43 6.843 0.424 -2.122 1.00 0.00 C ATOM 712 C TYR A 43 6.966 -0.353 -0.809 1.00 0.00 C ATOM 713 O TYR A 43 6.833 -1.584 -0.772 1.00 0.00 O ATOM 714 CB TYR A 43 8.184 1.122 -2.409 1.00 0.00 C ATOM 715 CG TYR A 43 8.179 2.050 -3.615 1.00 0.00 C ATOM 716 CD1 TYR A 43 7.426 3.221 -3.616 1.00 0.00 C ATOM 717 CD2 TYR A 43 8.943 1.768 -4.742 1.00 0.00 C ATOM 718 CE1 TYR A 43 7.429 4.075 -4.698 1.00 0.00 C ATOM 719 CE2 TYR A 43 8.950 2.623 -5.830 1.00 0.00 C ATOM 720 CZ TYR A 43 8.191 3.775 -5.802 1.00 0.00 C ATOM 721 OH TYR A 43 8.197 4.631 -6.879 1.00 0.00 O ATOM 0 H TYR A 43 6.068 2.366 -2.227 1.00 0.00 H new ATOM 0 HA TYR A 43 6.603 -0.260 -2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.474 1.696 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.949 0.360 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.827 3.465 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.540 0.868 -4.769 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.835 4.977 -4.678 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.548 2.389 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 43 8.367 4.123 -7.700 1.00 0.00 H new ATOM 731 N SER A 44 7.210 0.395 0.267 1.00 0.00 N ATOM 732 CA SER A 44 7.380 -0.180 1.592 1.00 0.00 C ATOM 733 C SER A 44 6.110 -0.918 1.999 1.00 0.00 C ATOM 734 O SER A 44 6.164 -2.040 2.494 1.00 0.00 O ATOM 735 CB SER A 44 7.721 0.921 2.608 1.00 0.00 C ATOM 736 OG SER A 44 8.048 0.376 3.875 1.00 0.00 O ATOM 0 H SER A 44 7.294 1.411 0.240 1.00 0.00 H new ATOM 0 HA SER A 44 8.205 -0.892 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.559 1.512 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.873 1.598 2.710 1.00 0.00 H new ATOM 0 HG SER A 44 8.261 1.102 4.498 1.00 0.00 H new ATOM 742 N LEU A 45 4.969 -0.289 1.746 1.00 0.00 N ATOM 743 CA LEU A 45 3.669 -0.881 2.041 1.00 0.00 C ATOM 744 C LEU A 45 3.563 -2.261 1.385 1.00 0.00 C ATOM 745 O LEU A 45 3.193 -3.239 2.032 1.00 0.00 O ATOM 746 CB LEU A 45 2.550 0.066 1.553 1.00 0.00 C ATOM 747 CG LEU A 45 1.093 -0.327 1.890 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.567 -1.407 0.945 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.974 -0.779 3.345 1.00 0.00 C ATOM 0 H LEU A 45 4.918 0.642 1.332 1.00 0.00 H new ATOM 0 HA LEU A 45 3.558 -1.015 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.738 1.055 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.633 0.157 0.470 1.00 0.00 H new ATOM 0 HG LEU A 45 0.476 0.561 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.460 -1.657 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.595 -1.038 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.190 -2.297 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.060 -1.050 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.618 -1.643 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.279 0.033 4.004 1.00 0.00 H new ATOM 761 N SER A 46 3.924 -2.324 0.107 1.00 0.00 N ATOM 762 CA SER A 46 3.876 -3.563 -0.662 1.00 0.00 C ATOM 763 C SER A 46 4.729 -4.648 0.002 1.00 0.00 C ATOM 764 O SER A 46 4.217 -5.706 0.391 1.00 0.00 O ATOM 765 CB SER A 46 4.356 -3.301 -2.100 1.00 0.00 C ATOM 766 OG SER A 46 4.455 -4.499 -2.854 1.00 0.00 O ATOM 0 H SER A 46 4.257 -1.519 -0.424 1.00 0.00 H new ATOM 0 HA SER A 46 2.846 -3.918 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.665 -2.618 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.328 -2.808 -2.074 1.00 0.00 H new ATOM 0 HG SER A 46 3.574 -4.732 -3.215 1.00 0.00 H new ATOM 772 N LYS A 47 6.023 -4.364 0.169 1.00 0.00 N ATOM 773 CA LYS A 47 6.955 -5.358 0.699 1.00 0.00 C ATOM 774 C LYS A 47 6.566 -5.762 2.121 1.00 0.00 C ATOM 775 O LYS A 47 6.745 -6.917 2.519 1.00 0.00 O ATOM 776 CB LYS A 47 8.402 -4.838 0.665 1.00 0.00 C ATOM 777 CG LYS A 47 8.626 -3.564 1.475 1.00 0.00 C ATOM 778 CD LYS A 47 10.088 -3.116 1.484 1.00 0.00 C ATOM 779 CE LYS A 47 10.959 -3.955 2.424 1.00 0.00 C ATOM 780 NZ LYS A 47 11.136 -5.360 1.962 1.00 0.00 N ATOM 0 H LYS A 47 6.445 -3.462 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 47 6.898 -6.240 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.065 -5.617 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.685 -4.652 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.009 -2.765 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.295 -3.728 2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.489 -3.178 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.141 -2.069 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.938 -3.484 2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.510 -3.960 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.097 -5.683 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.441 -5.972 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.994 -5.408 0.933 1.00 0.00 H new ATOM 794 N ILE A 48 6.021 -4.812 2.878 1.00 0.00 N ATOM 795 CA ILE A 48 5.608 -5.081 4.248 1.00 0.00 C ATOM 796 C ILE A 48 4.407 -6.021 4.277 1.00 0.00 C ATOM 797 O ILE A 48 4.428 -7.019 4.985 1.00 0.00 O ATOM 798 CB ILE A 48 5.294 -3.776 5.023 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.594 -2.990 5.270 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.582 -4.075 6.344 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.391 -1.659 5.960 1.00 0.00 C ATOM 0 H ILE A 48 5.857 -3.855 2.566 1.00 0.00 H new ATOM 0 HA ILE A 48 6.445 -5.568 4.748 1.00 0.00 H new ATOM 0 HB ILE A 48 4.622 -3.168 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.266 -3.601 5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.090 -2.820 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.375 -3.140 6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.645 -4.594 6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.219 -4.704 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.355 -1.169 6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.746 -1.027 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.925 -1.820 6.932 1.00 0.00 H new ATOM 813 N VAL A 49 3.376 -5.723 3.484 1.00 0.00 N ATOM 814 CA VAL A 49 2.190 -6.580 3.422 1.00 0.00 C ATOM 815 C VAL A 49 2.586 -8.008 3.045 1.00 0.00 C ATOM 816 O VAL A 49 2.122 -8.978 3.655 1.00 0.00 O ATOM 817 CB VAL A 49 1.139 -6.048 2.409 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.027 -7.026 2.255 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.628 -4.674 2.835 1.00 0.00 C ATOM 0 H VAL A 49 3.338 -4.902 2.880 1.00 0.00 H new ATOM 0 HA VAL A 49 1.736 -6.573 4.413 1.00 0.00 H new ATOM 0 HB VAL A 49 1.630 -5.953 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.746 -6.626 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.347 -7.985 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.515 -7.166 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.107 -4.319 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.164 -4.747 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.462 -3.973 2.879 1.00 0.00 H new ATOM 829 N VAL A 50 3.465 -8.127 2.050 1.00 0.00 N ATOM 830 CA VAL A 50 3.981 -9.431 1.630 1.00 0.00 C ATOM 831 C VAL A 50 4.745 -10.100 2.777 1.00 0.00 C ATOM 832 O VAL A 50 4.662 -11.315 2.972 1.00 0.00 O ATOM 833 CB VAL A 50 4.911 -9.302 0.394 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.472 -10.665 -0.016 1.00 0.00 C ATOM 835 CG2 VAL A 50 4.169 -8.650 -0.772 1.00 0.00 C ATOM 0 H VAL A 50 3.835 -7.338 1.520 1.00 0.00 H new ATOM 0 HA VAL A 50 3.125 -10.048 1.355 1.00 0.00 H new ATOM 0 HB VAL A 50 5.750 -8.662 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.120 -10.545 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.046 -11.086 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.650 -11.336 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.838 -8.568 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.307 -9.260 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.832 -7.656 -0.479 1.00 0.00 H new ATOM 845 N GLU A 51 5.479 -9.292 3.541 1.00 0.00 N ATOM 846 CA GLU A 51 6.262 -9.786 4.675 1.00 0.00 C ATOM 847 C GLU A 51 5.350 -10.162 5.848 1.00 0.00 C ATOM 848 O GLU A 51 5.667 -11.063 6.629 1.00 0.00 O ATOM 849 CB GLU A 51 7.283 -8.721 5.103 1.00 0.00 C ATOM 850 CG GLU A 51 8.203 -9.153 6.241 1.00 0.00 C ATOM 851 CD GLU A 51 9.228 -8.089 6.593 1.00 0.00 C ATOM 852 OE1 GLU A 51 8.882 -7.142 7.324 1.00 0.00 O ATOM 853 OE2 GLU A 51 10.384 -8.187 6.132 1.00 0.00 O ATOM 0 H GLU A 51 5.548 -8.285 3.394 1.00 0.00 H new ATOM 0 HA GLU A 51 6.795 -10.685 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.893 -8.452 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.747 -7.822 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.604 -9.382 7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.719 -10.071 5.959 1.00 0.00 H new ATOM 860 N GLU A 52 4.216 -9.475 5.954 1.00 0.00 N ATOM 861 CA GLU A 52 3.254 -9.719 7.026 1.00 0.00 C ATOM 862 C GLU A 52 2.457 -10.994 6.754 1.00 0.00 C ATOM 863 O GLU A 52 2.040 -11.688 7.684 1.00 0.00 O ATOM 864 CB GLU A 52 2.301 -8.527 7.173 1.00 0.00 C ATOM 865 CG GLU A 52 2.965 -7.229 7.635 1.00 0.00 C ATOM 866 CD GLU A 52 3.614 -7.330 9.007 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.052 -8.009 9.895 1.00 0.00 O ATOM 868 OE2 GLU A 52 4.682 -6.710 9.213 1.00 0.00 O ATOM 0 H GLU A 52 3.939 -8.739 5.305 1.00 0.00 H new ATOM 0 HA GLU A 52 3.807 -9.845 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.814 -8.348 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.518 -8.791 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.721 -6.938 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.218 -6.435 7.654 1.00 0.00 H new ATOM 875 N GLY A 53 2.224 -11.281 5.473 1.00 0.00 N ATOM 876 CA GLY A 53 1.615 -12.546 5.083 1.00 0.00 C ATOM 877 C GLY A 53 0.196 -12.417 4.550 1.00 0.00 C ATOM 878 O GLY A 53 -0.345 -13.382 4.009 1.00 0.00 O ATOM 0 H GLY A 53 2.447 -10.659 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.236 -13.016 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.608 -13.214 5.944 1.00 0.00 H new ATOM 882 N GLY A 54 -0.420 -11.245 4.698 1.00 0.00 N ATOM 883 CA GLY A 54 -1.762 -11.048 4.166 1.00 0.00 C ATOM 884 C GLY A 54 -2.391 -9.750 4.631 1.00 0.00 C ATOM 885 O GLY A 54 -2.272 -9.388 5.802 1.00 0.00 O ATOM 0 H GLY A 54 -0.020 -10.435 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.722 -11.058 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.395 -11.882 4.469 1.00 0.00 H new ATOM 889 N TYR A 55 -3.079 -9.064 3.717 1.00 0.00 N ATOM 890 CA TYR A 55 -3.707 -7.776 4.010 1.00 0.00 C ATOM 891 C TYR A 55 -4.703 -7.885 5.166 1.00 0.00 C ATOM 892 O TYR A 55 -4.577 -7.179 6.171 1.00 0.00 O ATOM 893 CB TYR A 55 -4.400 -7.228 2.749 1.00 0.00 C ATOM 894 CG TYR A 55 -5.335 -6.055 3.010 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.897 -4.921 3.682 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.662 -6.100 2.605 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.755 -3.865 3.938 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.524 -5.051 2.860 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.068 -3.937 3.525 1.00 0.00 C ATOM 900 OH TYR A 55 -7.928 -2.892 3.786 1.00 0.00 O ATOM 0 H TYR A 55 -3.216 -9.384 2.758 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.925 -7.082 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.637 -6.918 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.967 -8.033 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.870 -4.862 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.027 -6.971 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.397 -2.989 4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.553 -5.106 2.538 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.720 -3.229 4.254 1.00 0.00 H new ATOM 910 N GLU A 56 -5.682 -8.777 5.029 1.00 0.00 N ATOM 911 CA GLU A 56 -6.737 -8.916 6.032 1.00 0.00 C ATOM 912 C GLU A 56 -6.161 -9.199 7.411 1.00 0.00 C ATOM 913 O GLU A 56 -6.679 -8.709 8.406 1.00 0.00 O ATOM 914 CB GLU A 56 -7.735 -10.021 5.659 1.00 0.00 C ATOM 915 CG GLU A 56 -8.592 -9.701 4.442 1.00 0.00 C ATOM 916 CD GLU A 56 -7.804 -9.688 3.148 1.00 0.00 C ATOM 917 OE1 GLU A 56 -6.865 -10.507 3.022 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.121 -8.874 2.261 1.00 0.00 O ATOM 0 H GLU A 56 -5.767 -9.413 4.236 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.266 -7.963 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.185 -10.943 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.389 -10.208 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.393 -10.436 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.064 -8.729 4.583 1.00 0.00 H new ATOM 925 N ALA A 57 -5.082 -9.974 7.472 1.00 0.00 N ATOM 926 CA ALA A 57 -4.469 -10.308 8.753 1.00 0.00 C ATOM 927 C ALA A 57 -3.992 -9.040 9.450 1.00 0.00 C ATOM 928 O ALA A 57 -4.296 -8.804 10.622 1.00 0.00 O ATOM 929 CB ALA A 57 -3.320 -11.292 8.560 1.00 0.00 C ATOM 0 H ALA A 57 -4.618 -10.379 6.659 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.216 -10.789 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.877 -11.528 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.697 -12.206 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.564 -10.846 7.913 1.00 0.00 H new ATOM 935 N ILE A 58 -3.283 -8.203 8.701 1.00 0.00 N ATOM 936 CA ILE A 58 -2.775 -6.943 9.229 1.00 0.00 C ATOM 937 C ILE A 58 -3.936 -6.021 9.566 1.00 0.00 C ATOM 938 O ILE A 58 -3.891 -5.268 10.538 1.00 0.00 O ATOM 939 CB ILE A 58 -1.871 -6.209 8.206 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.962 -7.192 7.461 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.035 -5.137 8.903 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.294 -6.585 6.243 1.00 0.00 C ATOM 0 H ILE A 58 -3.047 -8.375 7.724 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.189 -7.182 10.116 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.519 -5.728 7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.195 -7.556 8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.549 -8.057 7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.406 -4.632 8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.696 -4.411 9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.405 -5.603 9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.335 -7.334 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.056 -6.246 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.320 -5.738 6.549 1.00 0.00 H new ATOM 954 N CYS A 59 -4.977 -6.100 8.749 1.00 0.00 N ATOM 955 CA CYS A 59 -6.113 -5.199 8.850 1.00 0.00 C ATOM 956 C CYS A 59 -6.987 -5.550 10.051 1.00 0.00 C ATOM 957 O CYS A 59 -7.458 -4.663 10.762 1.00 0.00 O ATOM 958 CB CYS A 59 -6.934 -5.239 7.555 1.00 0.00 C ATOM 959 SG CYS A 59 -8.150 -3.913 7.423 1.00 0.00 S ATOM 0 H CYS A 59 -5.057 -6.788 8.001 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.736 -4.187 8.997 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.256 -5.183 6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.448 -6.198 7.491 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.176 -3.468 6.202 1.00 0.00 H new ATOM 965 N LYS A 60 -7.179 -6.845 10.292 1.00 0.00 N ATOM 966 CA LYS A 60 -8.048 -7.298 11.373 1.00 0.00 C ATOM 967 C LYS A 60 -7.317 -7.221 12.709 1.00 0.00 C ATOM 968 O LYS A 60 -7.919 -6.907 13.738 1.00 0.00 O ATOM 969 CB LYS A 60 -8.546 -8.726 11.116 1.00 0.00 C ATOM 970 CG LYS A 60 -9.361 -8.888 9.830 1.00 0.00 C ATOM 971 CD LYS A 60 -10.536 -7.911 9.758 1.00 0.00 C ATOM 972 CE LYS A 60 -11.399 -8.159 8.523 1.00 0.00 C ATOM 973 NZ LYS A 60 -12.472 -7.138 8.373 1.00 0.00 N ATOM 0 H LYS A 60 -6.746 -7.596 9.755 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.915 -6.639 11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.687 -9.396 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.157 -9.043 11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.711 -8.734 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.737 -9.909 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.147 -8.009 10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.159 -6.888 9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.768 -8.154 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.849 -9.150 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.221 -7.510 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.873 -6.916 9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.073 -6.274 7.953 1.00 0.00 H new ATOM 987 N ASP A 61 -6.016 -7.505 12.689 1.00 0.00 N ATOM 988 CA ASP A 61 -5.187 -7.372 13.888 1.00 0.00 C ATOM 989 C ASP A 61 -4.772 -5.919 14.083 1.00 0.00 C ATOM 990 O ASP A 61 -4.269 -5.544 15.146 1.00 0.00 O ATOM 991 CB ASP A 61 -3.942 -8.271 13.797 1.00 0.00 C ATOM 992 CG ASP A 61 -4.239 -9.730 14.117 1.00 0.00 C ATOM 993 OD1 ASP A 61 -5.032 -10.363 13.387 1.00 0.00 O ATOM 994 OD2 ASP A 61 -3.685 -10.251 15.113 1.00 0.00 O ATOM 0 H ASP A 61 -5.514 -7.827 11.861 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.777 -7.691 14.747 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.523 -8.203 12.793 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.182 -7.901 14.485 1.00 0.00 H new ATOM 999 N ARG A 62 -4.986 -5.107 13.041 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.641 -3.684 13.062 1.00 0.00 C ATOM 1001 C ARG A 62 -3.136 -3.519 13.272 1.00 0.00 C ATOM 1002 O ARG A 62 -2.670 -2.546 13.872 1.00 0.00 O ATOM 1003 CB ARG A 62 -5.448 -2.947 14.141 1.00 0.00 C ATOM 1004 CG ARG A 62 -6.958 -3.089 13.958 1.00 0.00 C ATOM 1005 CD ARG A 62 -7.743 -2.316 15.010 1.00 0.00 C ATOM 1006 NE ARG A 62 -7.576 -0.867 14.878 1.00 0.00 N ATOM 1007 CZ ARG A 62 -8.444 0.030 15.353 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -9.522 -0.372 16.022 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -8.226 1.325 15.169 1.00 0.00 N ATOM 0 H ARG A 62 -5.402 -5.418 12.163 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.901 -3.238 12.102 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.169 -3.332 15.122 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.184 -1.890 14.126 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.237 -2.733 12.966 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.230 -4.143 14.007 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.801 -2.566 14.927 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.419 -2.627 16.003 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.747 -0.522 14.394 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.687 -1.367 16.173 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.183 0.315 16.384 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.396 1.636 14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.889 2.010 15.532 1.00 0.00 H new ATOM 1023 N ARG A 63 -2.384 -4.463 12.708 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.935 -4.527 12.875 1.00 0.00 C ATOM 1025 C ARG A 63 -0.258 -3.368 12.137 1.00 0.00 C ATOM 1026 O ARG A 63 0.953 -3.162 12.261 1.00 0.00 O ATOM 1027 CB ARG A 63 -0.415 -5.883 12.353 1.00 0.00 C ATOM 1028 CG ARG A 63 0.820 -6.412 13.079 1.00 0.00 C ATOM 1029 CD ARG A 63 0.494 -6.856 14.505 1.00 0.00 C ATOM 1030 NE ARG A 63 1.645 -7.473 15.167 1.00 0.00 N ATOM 1031 CZ ARG A 63 1.567 -8.281 16.229 1.00 0.00 C ATOM 1032 NH1 ARG A 63 0.387 -8.621 16.735 1.00 0.00 N ATOM 1033 NH2 ARG A 63 2.675 -8.774 16.764 1.00 0.00 N ATOM 0 H ARG A 63 -2.764 -5.206 12.121 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.693 -4.438 13.934 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.213 -6.620 12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.183 -5.784 11.293 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.236 -7.252 12.523 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.586 -5.637 13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.161 -5.995 15.085 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.334 -7.565 14.483 1.00 0.00 H new ATOM 0 HE ARG A 63 2.572 -7.272 14.791 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.471 -8.265 16.313 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.338 -9.238 17.546 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.583 -8.536 16.365 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.619 -9.391 17.574 1.00 0.00 H new ATOM 1047 N TRP A 64 -1.060 -2.601 11.387 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.578 -1.419 10.670 1.00 0.00 C ATOM 1049 C TRP A 64 0.153 -0.470 11.619 1.00 0.00 C ATOM 1050 O TRP A 64 0.971 0.341 11.190 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.740 -0.671 10.001 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.507 -1.488 9.004 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.823 -1.850 9.080 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.010 -2.041 7.777 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.172 -2.588 7.978 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.079 -2.720 7.166 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.766 -2.030 7.135 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -2.945 -3.377 5.951 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.637 -2.685 5.926 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.721 -3.350 5.344 1.00 0.00 C ATOM 0 H TRP A 64 -2.056 -2.783 11.262 1.00 0.00 H new ATOM 0 HA TRP A 64 0.114 -1.762 9.901 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.426 -0.324 10.774 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.347 0.215 9.502 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.490 -1.593 9.889 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.097 -2.976 7.794 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.077 -1.519 7.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.780 -3.892 5.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.318 -2.684 5.421 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.588 -3.852 4.397 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.157 -0.580 12.909 1.00 0.00 N ATOM 1072 CA ALA A 65 0.499 0.223 13.933 1.00 0.00 C ATOM 1073 C ALA A 65 2.016 0.052 13.866 1.00 0.00 C ATOM 1074 O ALA A 65 2.762 1.036 13.792 1.00 0.00 O ATOM 1075 CB ALA A 65 -0.022 -0.165 15.312 1.00 0.00 C ATOM 0 H ALA A 65 -0.863 -1.222 13.269 1.00 0.00 H new ATOM 0 HA ALA A 65 0.269 1.273 13.752 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.473 0.440 16.072 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.098 0.007 15.356 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.185 -1.219 15.496 1.00 0.00 H new ATOM 1081 N ARG A 66 2.469 -1.204 13.858 1.00 0.00 N ATOM 1082 CA ARG A 66 3.901 -1.490 13.850 1.00 0.00 C ATOM 1083 C ARG A 66 4.498 -1.116 12.496 1.00 0.00 C ATOM 1084 O ARG A 66 5.681 -0.781 12.397 1.00 0.00 O ATOM 1085 CB ARG A 66 4.183 -2.970 14.179 1.00 0.00 C ATOM 1086 CG ARG A 66 4.163 -3.918 12.977 1.00 0.00 C ATOM 1087 CD ARG A 66 4.592 -5.326 13.379 1.00 0.00 C ATOM 1088 NE ARG A 66 4.944 -6.161 12.228 1.00 0.00 N ATOM 1089 CZ ARG A 66 5.885 -7.108 12.259 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.572 -7.335 13.373 1.00 0.00 N ATOM 1091 NH2 ARG A 66 6.136 -7.828 11.179 1.00 0.00 N ATOM 0 H ARG A 66 1.870 -2.030 13.857 1.00 0.00 H new ATOM 0 HA ARG A 66 4.373 -0.888 14.626 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.158 -3.040 14.661 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.444 -3.312 14.904 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.160 -3.948 12.551 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.828 -3.540 12.201 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.447 -5.262 14.051 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.784 -5.803 13.935 1.00 0.00 H new ATOM 0 HE ARG A 66 4.442 -6.010 11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.382 -6.785 14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.290 -8.060 13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.611 -7.660 10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.855 -8.551 11.204 1.00 0.00 H new ATOM 1105 N VAL A 67 3.661 -1.169 11.462 1.00 0.00 N ATOM 1106 CA VAL A 67 4.061 -0.793 10.110 1.00 0.00 C ATOM 1107 C VAL A 67 4.390 0.699 10.058 1.00 0.00 C ATOM 1108 O VAL A 67 5.478 1.093 9.637 1.00 0.00 O ATOM 1109 CB VAL A 67 2.942 -1.119 9.085 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.332 -0.671 7.678 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.609 -2.612 9.114 1.00 0.00 C ATOM 0 H VAL A 67 2.690 -1.473 11.538 1.00 0.00 H new ATOM 0 HA VAL A 67 4.947 -1.370 9.846 1.00 0.00 H new ATOM 0 HB VAL A 67 2.049 -0.563 9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.528 -0.913 6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.504 0.405 7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.243 -1.185 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.823 -2.824 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.499 -3.188 8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.268 -2.889 10.111 1.00 0.00 H new ATOM 1121 N ALA A 68 3.447 1.520 10.513 1.00 0.00 N ATOM 1122 CA ALA A 68 3.641 2.965 10.564 1.00 0.00 C ATOM 1123 C ALA A 68 4.870 3.302 11.402 1.00 0.00 C ATOM 1124 O ALA A 68 5.689 4.140 11.020 1.00 0.00 O ATOM 1125 CB ALA A 68 2.399 3.651 11.127 1.00 0.00 C ATOM 0 H ALA A 68 2.538 1.207 10.853 1.00 0.00 H new ATOM 0 HA ALA A 68 3.803 3.332 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.561 4.728 11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.542 3.431 10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.206 3.284 12.135 1.00 0.00 H new ATOM 1131 N GLN A 69 4.997 2.619 12.539 1.00 0.00 N ATOM 1132 CA GLN A 69 6.153 2.784 13.418 1.00 0.00 C ATOM 1133 C GLN A 69 7.447 2.449 12.670 1.00 0.00 C ATOM 1134 O GLN A 69 8.475 3.106 12.852 1.00 0.00 O ATOM 1135 CB GLN A 69 6.009 1.884 14.652 1.00 0.00 C ATOM 1136 CG GLN A 69 7.132 2.047 15.670 1.00 0.00 C ATOM 1137 CD GLN A 69 7.045 1.037 16.799 1.00 0.00 C ATOM 1138 OE1 GLN A 69 6.411 1.283 17.825 1.00 0.00 O ATOM 1139 NE2 GLN A 69 7.688 -0.109 16.620 1.00 0.00 N ATOM 0 H GLN A 69 4.310 1.943 12.874 1.00 0.00 H new ATOM 0 HA GLN A 69 6.198 3.824 13.741 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.057 2.100 15.138 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.973 0.844 14.329 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.093 1.942 15.166 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.098 3.054 16.085 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.203 -0.275 15.755 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.668 -0.824 17.347 1.00 0.00 H new ATOM 1148 N ARG A 70 7.385 1.418 11.826 1.00 0.00 N ATOM 1149 CA ARG A 70 8.531 1.007 11.016 1.00 0.00 C ATOM 1150 C ARG A 70 8.907 2.104 10.025 1.00 0.00 C ATOM 1151 O ARG A 70 10.086 2.350 9.765 1.00 0.00 O ATOM 1152 CB ARG A 70 8.219 -0.292 10.258 1.00 0.00 C ATOM 1153 CG ARG A 70 9.344 -0.738 9.334 1.00 0.00 C ATOM 1154 CD ARG A 70 8.978 -1.980 8.539 1.00 0.00 C ATOM 1155 NE ARG A 70 10.069 -2.387 7.654 1.00 0.00 N ATOM 1156 CZ ARG A 70 10.179 -3.591 7.101 1.00 0.00 C ATOM 1157 NH1 ARG A 70 9.264 -4.522 7.333 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.215 -3.859 6.320 1.00 0.00 N ATOM 0 H ARG A 70 6.549 0.851 11.686 1.00 0.00 H new ATOM 0 HA ARG A 70 9.373 0.831 11.686 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.015 -1.084 10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.311 -0.153 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.589 0.072 8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.239 -0.937 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.739 -2.794 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.082 -1.786 7.949 1.00 0.00 H new ATOM 0 HE ARG A 70 10.795 -1.701 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.470 -4.317 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.354 -5.444 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.921 -3.144 6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.306 -4.780 5.892 1.00 0.00 H new ATOM 1172 N LEU A 71 7.890 2.765 9.477 1.00 0.00 N ATOM 1173 CA LEU A 71 8.094 3.871 8.538 1.00 0.00 C ATOM 1174 C LEU A 71 8.508 5.153 9.264 1.00 0.00 C ATOM 1175 O LEU A 71 8.473 6.237 8.675 1.00 0.00 O ATOM 1176 CB LEU A 71 6.832 4.121 7.694 1.00 0.00 C ATOM 1177 CG LEU A 71 6.657 3.203 6.465 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.567 1.737 6.876 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.427 3.611 5.654 1.00 0.00 C ATOM 0 H LEU A 71 6.910 2.554 9.667 1.00 0.00 H new ATOM 0 HA LEU A 71 8.906 3.582 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.959 4.008 8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.844 5.156 7.353 1.00 0.00 H new ATOM 0 HG LEU A 71 7.539 3.320 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.444 1.117 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.480 1.448 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.712 1.596 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.323 2.951 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.537 3.535 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.542 4.639 5.311 1.00 0.00 H new ATOM 1191 N ASN A 72 8.864 5.024 10.549 1.00 0.00 N ATOM 1192 CA ASN A 72 9.400 6.141 11.339 1.00 0.00 C ATOM 1193 C ASN A 72 8.278 7.069 11.830 1.00 0.00 C ATOM 1194 O ASN A 72 8.526 8.071 12.510 1.00 0.00 O ATOM 1195 CB ASN A 72 10.491 6.891 10.529 1.00 0.00 C ATOM 1196 CG ASN A 72 10.719 8.328 10.965 1.00 0.00 C ATOM 1197 OD1 ASN A 72 11.516 8.607 11.864 1.00 0.00 O ATOM 1198 ND2 ASN A 72 10.023 9.249 10.316 1.00 0.00 N ATOM 0 H ASN A 72 8.789 4.149 11.068 1.00 0.00 H new ATOM 0 HA ASN A 72 9.875 5.745 12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.430 6.345 10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.213 6.884 9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.135 10.235 10.553 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.375 8.973 9.579 1.00 0.00 H new ATOM 1205 N TYR A 73 7.035 6.703 11.535 1.00 0.00 N ATOM 1206 CA TYR A 73 5.884 7.471 12.003 1.00 0.00 C ATOM 1207 C TYR A 73 5.682 7.230 13.504 1.00 0.00 C ATOM 1208 O TYR A 73 5.952 6.130 14.002 1.00 0.00 O ATOM 1209 CB TYR A 73 4.614 7.088 11.225 1.00 0.00 C ATOM 1210 CG TYR A 73 4.743 7.203 9.715 1.00 0.00 C ATOM 1211 CD1 TYR A 73 5.540 8.183 9.127 1.00 0.00 C ATOM 1212 CD2 TYR A 73 4.066 6.324 8.875 1.00 0.00 C ATOM 1213 CE1 TYR A 73 5.655 8.281 7.752 1.00 0.00 C ATOM 1214 CE2 TYR A 73 4.176 6.416 7.503 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.971 7.393 6.945 1.00 0.00 C ATOM 1216 OH TYR A 73 5.083 7.482 5.576 1.00 0.00 O ATOM 0 H TYR A 73 6.798 5.883 10.976 1.00 0.00 H new ATOM 0 HA TYR A 73 6.077 8.530 11.830 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.344 6.063 11.477 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.794 7.725 11.557 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.077 8.878 9.755 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.442 5.555 9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.276 9.047 7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.641 5.725 6.869 1.00 0.00 H new ATOM 0 HH TYR A 73 4.539 6.783 5.157 1.00 0.00 H new ATOM 1226 N PRO A 74 5.228 8.252 14.253 1.00 0.00 N ATOM 1227 CA PRO A 74 5.028 8.142 15.704 1.00 0.00 C ATOM 1228 C PRO A 74 3.884 7.187 16.062 1.00 0.00 C ATOM 1229 O PRO A 74 2.882 7.109 15.344 1.00 0.00 O ATOM 1230 CB PRO A 74 4.694 9.580 16.130 1.00 0.00 C ATOM 1231 CG PRO A 74 4.126 10.208 14.905 1.00 0.00 C ATOM 1232 CD PRO A 74 4.871 9.594 13.750 1.00 0.00 C ATOM 0 HA PRO A 74 5.903 7.732 16.208 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.978 9.595 16.952 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.583 10.110 16.472 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.056 10.016 14.827 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.256 11.290 14.924 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.251 9.537 12.856 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.756 10.174 13.488 1.00 0.00 H new ATOM 1240 N PRO A 75 4.029 6.436 17.174 1.00 0.00 N ATOM 1241 CA PRO A 75 2.990 5.519 17.658 1.00 0.00 C ATOM 1242 C PRO A 75 1.678 6.241 17.983 1.00 0.00 C ATOM 1243 O PRO A 75 1.552 7.457 17.802 1.00 0.00 O ATOM 1244 CB PRO A 75 3.607 4.904 18.928 1.00 0.00 C ATOM 1245 CG PRO A 75 5.077 5.101 18.768 1.00 0.00 C ATOM 1246 CD PRO A 75 5.226 6.404 18.035 1.00 0.00 C ATOM 0 HA PRO A 75 2.721 4.778 16.905 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.237 5.397 19.827 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.357 3.847 19.018 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.577 5.135 19.736 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.525 4.281 18.207 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.254 7.252 18.720 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.145 6.436 17.450 1.00 0.00 H new ATOM 1254 N GLY A 76 0.710 5.486 18.486 1.00 0.00 N ATOM 1255 CA GLY A 76 -0.615 6.025 18.741 1.00 0.00 C ATOM 1256 C GLY A 76 -1.667 5.299 17.931 1.00 0.00 C ATOM 1257 O GLY A 76 -2.865 5.436 18.189 1.00 0.00 O ATOM 0 H GLY A 76 0.819 4.500 18.724 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.847 5.940 19.803 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.632 7.087 18.495 1.00 0.00 H new ATOM 1261 N LYS A 77 -1.204 4.530 16.938 1.00 0.00 N ATOM 1262 CA LYS A 77 -2.077 3.722 16.082 1.00 0.00 C ATOM 1263 C LYS A 77 -2.981 4.605 15.214 1.00 0.00 C ATOM 1264 O LYS A 77 -3.945 4.125 14.613 1.00 0.00 O ATOM 1265 CB LYS A 77 -2.907 2.744 16.938 1.00 0.00 C ATOM 1266 CG LYS A 77 -2.048 1.721 17.684 1.00 0.00 C ATOM 1267 CD LYS A 77 -2.851 0.895 18.688 1.00 0.00 C ATOM 1268 CE LYS A 77 -3.355 1.742 19.853 1.00 0.00 C ATOM 1269 NZ LYS A 77 -3.972 0.909 20.918 1.00 0.00 N ATOM 0 H LYS A 77 -0.214 4.451 16.706 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.450 3.141 15.406 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.495 3.311 17.660 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.613 2.217 16.296 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.579 1.052 16.963 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.245 2.240 18.207 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.699 0.434 18.182 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.229 0.086 19.071 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.526 2.312 20.273 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.086 2.464 19.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.301 1.522 21.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.779 0.384 20.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.268 0.237 21.285 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.634 5.889 15.130 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.408 6.861 14.354 1.00 0.00 C ATOM 1285 C ASN A 78 -3.163 6.679 12.856 1.00 0.00 C ATOM 1286 O ASN A 78 -4.099 6.477 12.081 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.030 8.290 14.772 1.00 0.00 C ATOM 1288 CG ASN A 78 -3.895 9.348 14.102 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -4.932 9.742 14.635 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -3.481 9.813 12.932 1.00 0.00 N ATOM 0 H ASN A 78 -1.816 6.284 15.593 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.466 6.694 14.556 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.122 8.384 15.854 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.984 8.472 14.524 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.028 10.522 12.443 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.616 9.462 12.521 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.889 6.729 12.463 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.506 6.645 11.051 1.00 0.00 C ATOM 1299 C ILE A 79 -1.969 5.314 10.449 1.00 0.00 C ATOM 1300 O ILE A 79 -2.194 5.208 9.243 1.00 0.00 O ATOM 1301 CB ILE A 79 0.034 6.809 10.839 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.553 8.152 11.405 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.385 6.701 9.352 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.669 8.204 12.917 1.00 0.00 C ATOM 0 H ILE A 79 -1.102 6.828 13.104 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.000 7.472 10.541 1.00 0.00 H new ATOM 0 HB ILE A 79 0.524 6.003 11.385 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.532 8.358 10.972 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.114 8.950 11.078 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.461 6.818 9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.078 5.725 8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.134 7.483 8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.040 9.183 13.220 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.311 8.034 13.363 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.361 7.433 13.256 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.137 4.311 11.312 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.598 3.005 10.870 1.00 0.00 C ATOM 1318 C GLY A 80 -3.953 3.075 10.189 1.00 0.00 C ATOM 1319 O GLY A 80 -4.196 2.381 9.200 1.00 0.00 O ATOM 0 H GLY A 80 -1.961 4.382 12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.869 2.578 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.658 2.334 11.727 1.00 0.00 H new ATOM 1323 N SER A 81 -4.829 3.928 10.714 1.00 0.00 N ATOM 1324 CA SER A 81 -6.156 4.119 10.140 1.00 0.00 C ATOM 1325 C SER A 81 -6.038 4.782 8.767 1.00 0.00 C ATOM 1326 O SER A 81 -6.662 4.345 7.797 1.00 0.00 O ATOM 1327 CB SER A 81 -7.011 4.977 11.080 1.00 0.00 C ATOM 1328 OG SER A 81 -6.962 4.475 12.408 1.00 0.00 O ATOM 0 H SER A 81 -4.642 4.499 11.538 1.00 0.00 H new ATOM 0 HA SER A 81 -6.639 3.149 10.018 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.656 6.007 11.063 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.043 4.990 10.729 1.00 0.00 H new ATOM 0 HG SER A 81 -7.513 5.038 12.991 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.210 5.825 8.700 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.936 6.532 7.450 1.00 0.00 C ATOM 1336 C LEU A 82 -4.435 5.553 6.389 1.00 0.00 C ATOM 1337 O LEU A 82 -4.906 5.548 5.244 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.906 7.659 7.702 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.317 8.347 6.446 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.073 9.835 6.691 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -2.012 7.676 6.014 1.00 0.00 C ATOM 0 H LEU A 82 -4.713 6.202 9.507 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.856 6.984 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.379 8.422 8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.082 7.245 8.283 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.051 8.241 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.659 10.289 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.015 10.322 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.370 9.958 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.620 8.179 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.284 7.742 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.201 6.628 5.782 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.490 4.714 6.795 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.888 3.732 5.906 1.00 0.00 C ATOM 1355 C LEU A 83 -3.943 2.760 5.378 1.00 0.00 C ATOM 1356 O LEU A 83 -4.031 2.528 4.169 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.773 2.978 6.643 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.052 1.898 5.823 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.461 2.486 4.540 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.038 1.230 6.661 1.00 0.00 C ATOM 0 H LEU A 83 -3.122 4.696 7.746 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.455 4.251 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.034 3.702 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.199 2.511 7.531 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.784 1.142 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.044 1.700 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.260 2.910 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.255 3.267 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.539 0.467 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.764 1.979 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.411 0.767 7.540 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.749 2.208 6.288 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.825 1.290 5.910 1.00 0.00 C ATOM 1374 C ARG A 84 -6.756 1.946 4.892 1.00 0.00 C ATOM 1375 O ARG A 84 -7.030 1.379 3.836 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.637 0.855 7.142 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.732 -0.165 6.822 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.607 -0.471 8.035 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.562 -1.553 7.769 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.470 -1.990 8.647 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.631 -1.369 9.812 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.232 -3.035 8.348 1.00 0.00 N ATOM 0 H ARG A 84 -4.677 2.381 7.291 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.366 0.408 5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.959 0.429 7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.093 1.735 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.356 0.216 6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.274 -1.087 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.973 -0.747 8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.150 0.428 8.325 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.531 -2.001 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.060 -0.555 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.325 -1.707 10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.124 -3.504 7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.925 -3.369 9.018 1.00 0.00 H new ATOM 1396 N SER A 85 -7.210 3.156 5.209 1.00 0.00 N ATOM 1397 CA SER A 85 -8.155 3.880 4.363 1.00 0.00 C ATOM 1398 C SER A 85 -7.607 4.053 2.946 1.00 0.00 C ATOM 1399 O SER A 85 -8.320 3.835 1.963 1.00 0.00 O ATOM 1400 CB SER A 85 -8.472 5.245 4.982 1.00 0.00 C ATOM 1401 OG SER A 85 -8.970 5.097 6.301 1.00 0.00 O ATOM 0 H SER A 85 -6.936 3.659 6.053 1.00 0.00 H new ATOM 0 HA SER A 85 -9.073 3.296 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.573 5.861 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.206 5.766 4.368 1.00 0.00 H new ATOM 0 HG SER A 85 -8.231 4.881 6.907 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.333 4.432 2.844 1.00 0.00 N ATOM 1408 CA HIS A 86 -5.704 4.619 1.538 1.00 0.00 C ATOM 1409 C HIS A 86 -5.513 3.279 0.831 1.00 0.00 C ATOM 1410 O HIS A 86 -5.592 3.201 -0.394 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.365 5.358 1.662 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.505 6.762 2.170 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.379 7.678 1.626 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -3.896 7.395 3.196 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.300 8.810 2.300 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -4.409 8.666 3.257 1.00 0.00 N ATOM 0 H HIS A 86 -5.723 4.614 3.641 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.372 5.235 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.711 4.800 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.878 5.379 0.687 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.991 7.508 0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.143 6.977 3.848 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.871 9.704 2.099 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.279 2.220 1.604 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.151 0.885 1.031 1.00 0.00 C ATOM 1427 C TYR A 87 -6.473 0.497 0.370 1.00 0.00 C ATOM 1428 O TYR A 87 -6.513 0.175 -0.815 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.762 -0.153 2.104 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.317 -1.497 1.531 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.199 -2.305 0.817 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -3.008 -1.948 1.688 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.795 -3.511 0.281 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.597 -3.155 1.148 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.496 -3.932 0.447 1.00 0.00 C ATOM 1436 OH TYR A 87 -3.093 -5.121 -0.113 1.00 0.00 O ATOM 0 H TYR A 87 -5.175 2.261 2.618 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.355 0.898 0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.957 0.255 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.614 -0.315 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.220 -1.981 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.302 -1.346 2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.497 -4.122 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.577 -3.487 1.275 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.148 -5.276 0.094 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.551 0.583 1.146 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.886 0.179 0.704 1.00 0.00 C ATOM 1448 C GLU A 88 -9.276 0.828 -0.626 1.00 0.00 C ATOM 1449 O GLU A 88 -9.953 0.210 -1.451 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.928 0.556 1.767 1.00 0.00 C ATOM 1451 CG GLU A 88 -9.728 -0.130 3.115 1.00 0.00 C ATOM 1452 CD GLU A 88 -10.683 0.394 4.179 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -10.328 1.367 4.878 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -11.802 -0.149 4.307 1.00 0.00 O ATOM 0 H GLU A 88 -7.524 0.936 2.103 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.862 -0.901 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.904 1.636 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.920 0.308 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.872 -1.204 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.701 0.019 3.447 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.851 2.072 -0.830 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.312 2.861 -1.973 1.00 0.00 C ATOM 1463 C ARG A 89 -8.265 2.967 -3.084 1.00 0.00 C ATOM 1464 O ARG A 89 -8.596 3.345 -4.209 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.738 4.259 -1.498 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.905 4.222 -0.513 1.00 0.00 C ATOM 1467 CD ARG A 89 -12.148 3.593 -1.140 1.00 0.00 C ATOM 1468 NE ARG A 89 -13.126 3.173 -0.135 1.00 0.00 N ATOM 1469 CZ ARG A 89 -14.304 2.612 -0.424 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -14.712 2.511 -1.686 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -15.082 2.172 0.557 1.00 0.00 N ATOM 0 H ARG A 89 -8.190 2.556 -0.222 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.167 2.340 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.887 4.752 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.018 4.861 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.617 3.656 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.136 5.235 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.612 4.309 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.853 2.731 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.894 3.318 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.124 2.863 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.613 2.081 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.780 2.263 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.982 1.743 0.341 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.012 2.632 -2.784 1.00 0.00 N ATOM 1486 CA ILE A 90 -5.936 2.738 -3.776 1.00 0.00 C ATOM 1487 C ILE A 90 -5.229 1.398 -3.984 1.00 0.00 C ATOM 1488 O ILE A 90 -5.146 0.896 -5.106 1.00 0.00 O ATOM 1489 CB ILE A 90 -4.885 3.804 -3.362 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.535 5.194 -3.230 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -3.725 3.846 -4.361 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.106 5.742 -4.524 1.00 0.00 C ATOM 0 H ILE A 90 -6.715 2.287 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.406 3.042 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.486 3.519 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.332 5.140 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.792 5.895 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.003 4.600 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.239 2.871 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.106 4.097 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.544 6.723 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.310 5.832 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.874 5.065 -4.898 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.738 0.814 -2.897 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.853 -0.348 -2.981 1.00 0.00 C ATOM 1506 C VAL A 91 -4.632 -1.666 -3.052 1.00 0.00 C ATOM 1507 O VAL A 91 -4.100 -2.678 -3.498 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.879 -0.393 -1.776 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.818 -1.478 -1.965 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.227 0.973 -1.552 1.00 0.00 C ATOM 0 H VAL A 91 -4.936 1.124 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.285 -0.237 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.458 -0.643 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.149 -1.486 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.303 -2.450 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.244 -1.272 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.548 0.917 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.669 1.261 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.999 1.716 -1.352 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.894 -1.653 -2.633 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.684 -2.886 -2.568 1.00 0.00 C ATOM 1522 C TYR A 92 -6.819 -3.535 -3.959 1.00 0.00 C ATOM 1523 O TYR A 92 -6.684 -4.751 -4.086 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.065 -2.631 -1.932 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.611 -3.812 -1.133 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.989 -5.060 -1.166 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.741 -3.670 -0.332 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.478 -6.124 -0.433 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.233 -4.733 0.405 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.599 -5.956 0.351 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.086 -7.015 1.081 1.00 0.00 O ATOM 0 H TYR A 92 -6.391 -0.813 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.151 -3.588 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.996 -1.763 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.775 -2.380 -2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.108 -5.197 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.242 -2.714 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.984 -7.083 -0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.111 -4.605 1.021 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.339 -7.562 1.402 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.088 -2.748 -5.030 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.034 -3.269 -6.404 1.00 0.00 C ATOM 1543 C PRO A 93 -5.676 -3.905 -6.714 1.00 0.00 C ATOM 1544 O PRO A 93 -5.587 -4.881 -7.465 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.262 -2.023 -7.273 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.025 -1.091 -6.396 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.509 -1.329 -5.001 1.00 0.00 C ATOM 0 HA PRO A 93 -7.769 -4.055 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.317 -1.583 -7.592 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.822 -2.266 -8.176 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.872 -0.055 -6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.096 -1.286 -6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.676 -0.667 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.281 -1.154 -4.251 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.621 -3.352 -6.113 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.260 -3.847 -6.316 1.00 0.00 C ATOM 1557 C TYR A 94 -3.003 -5.117 -5.509 1.00 0.00 C ATOM 1558 O TYR A 94 -2.128 -5.902 -5.863 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.224 -2.771 -5.970 1.00 0.00 C ATOM 1560 CG TYR A 94 -2.042 -1.740 -7.065 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -2.826 -0.593 -7.118 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -1.081 -1.922 -8.055 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -2.656 0.339 -8.120 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -0.909 -0.995 -9.061 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.695 0.135 -9.087 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.530 1.055 -10.095 1.00 0.00 O ATOM 0 H TYR A 94 -4.685 -2.556 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.158 -4.093 -7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.527 -2.267 -5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.266 -3.250 -5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.580 -0.429 -6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.459 -2.805 -8.035 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.273 1.225 -8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.162 -1.154 -9.824 1.00 0.00 H new ATOM 0 HH TYR A 94 -1.389 1.944 -9.707 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.748 -5.309 -4.424 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.728 -6.583 -3.705 1.00 0.00 C ATOM 1578 C GLU A 95 -4.049 -7.701 -4.696 1.00 0.00 C ATOM 1579 O GLU A 95 -3.209 -8.553 -4.996 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.750 -6.562 -2.546 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.013 -7.919 -1.894 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.769 -8.555 -1.290 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -3.264 -8.045 -0.267 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.306 -9.588 -1.820 1.00 0.00 O ATOM 0 H GLU A 95 -4.369 -4.606 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.743 -6.753 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.396 -5.871 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.694 -6.166 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.765 -7.799 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.432 -8.596 -2.639 1.00 0.00 H new ATOM 1591 N MET A 96 -5.251 -7.634 -5.258 1.00 0.00 N ATOM 1592 CA MET A 96 -5.707 -8.611 -6.241 1.00 0.00 C ATOM 1593 C MET A 96 -4.771 -8.643 -7.457 1.00 0.00 C ATOM 1594 O MET A 96 -4.445 -9.713 -7.970 1.00 0.00 O ATOM 1595 CB MET A 96 -7.145 -8.282 -6.680 1.00 0.00 C ATOM 1596 CG MET A 96 -7.732 -9.268 -7.684 1.00 0.00 C ATOM 1597 SD MET A 96 -7.754 -10.967 -7.071 1.00 0.00 S ATOM 1598 CE MET A 96 -8.805 -10.807 -5.625 1.00 0.00 C ATOM 0 H MET A 96 -5.933 -6.906 -5.047 1.00 0.00 H new ATOM 0 HA MET A 96 -5.693 -9.598 -5.779 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.785 -8.254 -5.798 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.160 -7.283 -7.117 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.749 -8.964 -7.932 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.153 -9.227 -8.606 1.00 0.00 H new ATOM 0 HE1 MET A 96 -9.128 -11.796 -5.298 1.00 0.00 H new ATOM 0 HE2 MET A 96 -8.248 -10.323 -4.822 1.00 0.00 H new ATOM 0 HE3 MET A 96 -9.678 -10.205 -5.875 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.338 -7.464 -7.901 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.466 -7.339 -9.073 1.00 0.00 C ATOM 1610 C TYR A 97 -2.086 -7.958 -8.822 1.00 0.00 C ATOM 1611 O TYR A 97 -1.754 -9.006 -9.382 1.00 0.00 O ATOM 1612 CB TYR A 97 -3.332 -5.855 -9.461 1.00 0.00 C ATOM 1613 CG TYR A 97 -2.268 -5.549 -10.507 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.366 -6.045 -11.804 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -1.170 -4.754 -10.193 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.401 -5.755 -12.754 1.00 0.00 C ATOM 1617 CE2 TYR A 97 -0.204 -4.459 -11.138 1.00 0.00 C ATOM 1618 CZ TYR A 97 -0.323 -4.962 -12.416 1.00 0.00 C ATOM 1619 OH TYR A 97 0.637 -4.666 -13.361 1.00 0.00 O ATOM 0 H TYR A 97 -4.578 -6.574 -7.464 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.921 -7.889 -9.897 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.295 -5.505 -9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.110 -5.280 -8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.208 -6.666 -12.074 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.070 -4.360 -9.192 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.492 -6.148 -13.756 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.639 -3.838 -10.876 1.00 0.00 H new ATOM 0 HH TYR A 97 1.477 -4.435 -12.913 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.297 -7.311 -7.968 1.00 0.00 N ATOM 1630 CA GLN A 98 0.078 -7.727 -7.705 1.00 0.00 C ATOM 1631 C GLN A 98 0.126 -9.152 -7.160 1.00 0.00 C ATOM 1632 O GLN A 98 0.861 -9.997 -7.679 1.00 0.00 O ATOM 1633 CB GLN A 98 0.752 -6.750 -6.730 1.00 0.00 C ATOM 1634 CG GLN A 98 2.189 -7.121 -6.369 1.00 0.00 C ATOM 1635 CD GLN A 98 2.874 -6.065 -5.515 1.00 0.00 C ATOM 1636 OE1 GLN A 98 2.806 -6.096 -4.288 1.00 0.00 O ATOM 1637 NE2 GLN A 98 3.552 -5.131 -6.163 1.00 0.00 N ATOM 0 H GLN A 98 -1.590 -6.488 -7.441 1.00 0.00 H new ATOM 0 HA GLN A 98 0.625 -7.712 -8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.745 -5.752 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.160 -6.700 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.191 -8.071 -5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.762 -7.269 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.585 -5.139 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.042 -4.403 -5.643 1.00 0.00 H new ATOM 1646 N SER A 99 -0.669 -9.429 -6.133 1.00 0.00 N ATOM 1647 CA SER A 99 -0.682 -10.755 -5.537 1.00 0.00 C ATOM 1648 C SER A 99 -1.293 -11.771 -6.507 1.00 0.00 C ATOM 1649 O SER A 99 -0.827 -12.906 -6.601 1.00 0.00 O ATOM 1650 CB SER A 99 -1.438 -10.738 -4.208 1.00 0.00 C ATOM 1651 OG SER A 99 -0.879 -9.781 -3.321 1.00 0.00 O ATOM 0 H SER A 99 -1.306 -8.760 -5.701 1.00 0.00 H new ATOM 0 HA SER A 99 0.346 -11.057 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.488 -10.506 -4.385 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.403 -11.727 -3.752 1.00 0.00 H new ATOM 0 HG SER A 99 -1.554 -9.509 -2.665 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.315 -11.355 -7.251 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.918 -12.238 -8.238 1.00 0.00 C ATOM 1659 C GLY A 100 -1.948 -12.603 -9.347 1.00 0.00 C ATOM 1660 O GLY A 100 -2.059 -13.667 -9.955 1.00 0.00 O ATOM 0 H GLY A 100 -2.735 -10.428 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.265 -13.147 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.795 -11.754 -8.669 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.995 -11.715 -9.611 1.00 0.00 N ATOM 1665 CA ALA A 101 0.023 -11.952 -10.628 1.00 0.00 C ATOM 1666 C ALA A 101 1.158 -12.818 -10.079 1.00 0.00 C ATOM 1667 O ALA A 101 1.671 -13.699 -10.775 1.00 0.00 O ATOM 1668 CB ALA A 101 0.568 -10.626 -11.151 1.00 0.00 C ATOM 0 H ALA A 101 -0.907 -10.819 -9.131 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.441 -12.491 -11.454 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.327 -10.818 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.244 -10.046 -11.589 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.011 -10.065 -10.328 1.00 0.00 H new ATOM 1674 N ASN A 102 1.539 -12.568 -8.826 1.00 0.00 N ATOM 1675 CA ASN A 102 2.678 -13.253 -8.209 1.00 0.00 C ATOM 1676 C ASN A 102 2.225 -14.417 -7.318 1.00 0.00 C ATOM 1677 O ASN A 102 2.568 -15.576 -7.581 1.00 0.00 O ATOM 1678 CB ASN A 102 3.523 -12.256 -7.391 1.00 0.00 C ATOM 1679 CG ASN A 102 4.163 -11.168 -8.246 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.633 -10.779 -9.289 1.00 0.00 O ATOM 1681 ND2 ASN A 102 5.308 -10.660 -7.809 1.00 0.00 N ATOM 0 H ASN A 102 1.075 -11.895 -8.216 1.00 0.00 H new ATOM 0 HA ASN A 102 3.288 -13.667 -9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.892 -11.790 -6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.305 -12.801 -6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.776 -9.926 -8.340 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.721 -11.004 -6.942 1.00 0.00 H new ATOM 1688 N LEU A 103 1.445 -14.109 -6.281 1.00 0.00 N ATOM 1689 CA LEU A 103 0.981 -15.108 -5.311 1.00 0.00 C ATOM 1690 C LEU A 103 0.000 -14.459 -4.330 1.00 0.00 C ATOM 1691 O LEU A 103 0.316 -13.445 -3.706 1.00 0.00 O ATOM 1692 CB LEU A 103 2.179 -15.757 -4.574 1.00 0.00 C ATOM 1693 CG LEU A 103 3.178 -14.790 -3.895 1.00 0.00 C ATOM 1694 CD1 LEU A 103 2.790 -14.503 -2.445 1.00 0.00 C ATOM 1695 CD2 LEU A 103 4.600 -15.345 -3.972 1.00 0.00 C ATOM 0 H LEU A 103 1.116 -13.163 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 103 0.459 -15.905 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.787 -16.432 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.729 -16.369 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 103 3.142 -13.845 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.515 -13.820 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.800 -14.048 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.778 -15.435 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.288 -14.651 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.642 -16.309 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.885 -15.471 -5.016 1.00 0.00 H new ATOM 1707 N VAL A 104 -1.203 -15.020 -4.219 1.00 0.00 N ATOM 1708 CA VAL A 104 -2.254 -14.420 -3.393 1.00 0.00 C ATOM 1709 C VAL A 104 -2.927 -15.453 -2.487 1.00 0.00 C ATOM 1710 O VAL A 104 -3.366 -16.509 -2.945 1.00 0.00 O ATOM 1711 CB VAL A 104 -3.328 -13.715 -4.270 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -3.990 -14.697 -5.238 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -4.372 -13.012 -3.398 1.00 0.00 C ATOM 0 H VAL A 104 -1.475 -15.884 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.767 -13.676 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.822 -12.956 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.735 -14.172 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.234 -15.125 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.474 -15.494 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.111 -12.527 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.867 -13.745 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.882 -12.263 -2.776 1.00 0.00 H new ATOM 1723 N CYS A 105 -2.978 -15.145 -1.195 1.00 0.00 N ATOM 1724 CA CYS A 105 -3.739 -15.933 -0.225 1.00 0.00 C ATOM 1725 C CYS A 105 -4.955 -15.137 0.249 1.00 0.00 C ATOM 1726 O CYS A 105 -5.832 -15.654 0.941 1.00 0.00 O ATOM 1727 CB CYS A 105 -2.847 -16.295 0.969 1.00 0.00 C ATOM 1728 SG CYS A 105 -2.044 -14.871 1.744 1.00 0.00 S ATOM 0 H CYS A 105 -2.495 -14.344 -0.789 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.081 -16.852 -0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.449 -16.811 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.081 -16.996 0.638 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.908 -13.910 1.886 1.00 0.00 H new ATOM 1734 N ASN A 106 -4.993 -13.870 -0.146 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.013 -12.926 0.308 1.00 0.00 C ATOM 1736 C ASN A 106 -7.216 -12.903 -0.645 1.00 0.00 C ATOM 1737 O ASN A 106 -8.010 -11.963 -0.638 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.378 -11.531 0.422 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.121 -11.540 1.285 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -3.991 -12.342 2.213 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -3.176 -10.663 0.984 1.00 0.00 N ATOM 0 H ASN A 106 -4.316 -13.465 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.385 -13.241 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.130 -11.164 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.103 -10.837 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.312 -10.638 1.525 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.312 -10.012 0.211 1.00 0.00 H new ATOM 1748 N THR A 107 -7.365 -13.963 -1.438 1.00 0.00 N ATOM 1749 CA THR A 107 -8.377 -14.007 -2.494 1.00 0.00 C ATOM 1750 C THR A 107 -9.799 -14.093 -1.926 1.00 0.00 C ATOM 1751 O THR A 107 -10.718 -13.435 -2.419 1.00 0.00 O ATOM 1752 CB THR A 107 -8.137 -15.224 -3.417 1.00 0.00 C ATOM 1753 OG1 THR A 107 -6.737 -15.342 -3.711 1.00 0.00 O ATOM 1754 CG2 THR A 107 -8.922 -15.095 -4.721 1.00 0.00 C ATOM 0 H THR A 107 -6.795 -14.806 -1.369 1.00 0.00 H new ATOM 0 HA THR A 107 -8.285 -13.079 -3.059 1.00 0.00 H new ATOM 0 HB THR A 107 -8.483 -16.116 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.589 -16.115 -4.295 1.00 0.00 H new ATOM 0 HG21 THR A 107 -8.732 -15.966 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.987 -15.033 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.608 -14.194 -5.247 1.00 0.00 H new ATOM 1762 N ARG A 108 -9.971 -14.905 -0.889 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.291 -15.149 -0.304 1.00 0.00 C ATOM 1764 C ARG A 108 -11.603 -14.177 0.845 1.00 0.00 C ATOM 1765 O ARG A 108 -12.701 -13.614 0.885 1.00 0.00 O ATOM 1766 CB ARG A 108 -11.412 -16.605 0.170 1.00 0.00 C ATOM 1767 CG ARG A 108 -11.262 -17.626 -0.954 1.00 0.00 C ATOM 1768 CD ARG A 108 -11.413 -19.057 -0.447 1.00 0.00 C ATOM 1769 NE ARG A 108 -12.737 -19.302 0.133 1.00 0.00 N ATOM 1770 CZ ARG A 108 -13.111 -20.452 0.696 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -12.284 -21.491 0.734 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -14.324 -20.566 1.217 1.00 0.00 N ATOM 0 H ARG A 108 -9.211 -15.409 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.029 -14.972 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.652 -16.796 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.381 -16.743 0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.010 -17.432 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.285 -17.508 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.244 -19.752 -1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.647 -19.258 0.302 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.417 -18.543 0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.351 -21.415 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.582 -22.365 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.968 -19.776 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.613 -21.444 1.648 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.661 -13.953 1.801 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.891 -13.031 2.931 1.00 0.00 C ATOM 1788 C PRO A 109 -11.099 -11.583 2.473 1.00 0.00 C ATOM 1789 O PRO A 109 -11.440 -10.715 3.282 1.00 0.00 O ATOM 1790 CB PRO A 109 -9.620 -13.169 3.784 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.585 -13.692 2.847 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.323 -14.578 1.882 1.00 0.00 C ATOM 0 HA PRO A 109 -11.801 -13.278 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.322 -12.210 4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.777 -13.851 4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.082 -12.878 2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -7.817 -14.250 3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.834 -14.608 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.380 -15.605 2.242 1.00 0.00 H new ATOM 1800 N PHE A 110 -10.893 -11.342 1.178 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.157 -10.042 0.557 1.00 0.00 C ATOM 1802 C PHE A 110 -12.527 -9.513 1.008 1.00 0.00 C ATOM 1803 O PHE A 110 -12.640 -8.428 1.592 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.120 -10.203 -0.977 1.00 0.00 C ATOM 1805 CG PHE A 110 -10.953 -8.917 -1.759 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -11.915 -7.916 -1.712 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -9.835 -8.722 -2.562 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -11.762 -6.751 -2.441 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -9.680 -7.558 -3.291 1.00 0.00 C ATOM 1810 CZ PHE A 110 -10.645 -6.572 -3.231 1.00 0.00 C ATOM 0 H PHE A 110 -10.538 -12.043 0.528 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.396 -9.325 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.302 -10.875 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.043 -10.686 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.794 -8.049 -1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.078 -9.490 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.517 -5.981 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -8.804 -7.420 -3.908 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.526 -5.663 -3.801 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.561 -10.316 0.764 1.00 0.00 N ATOM 1821 CA ASP A 111 -14.929 -9.967 1.152 1.00 0.00 C ATOM 1822 C ASP A 111 -15.036 -9.810 2.665 1.00 0.00 C ATOM 1823 O ASP A 111 -15.804 -8.988 3.165 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.915 -11.044 0.677 1.00 0.00 C ATOM 1825 CG ASP A 111 -15.987 -11.148 -0.837 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -15.106 -11.804 -1.436 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -16.922 -10.579 -1.437 1.00 0.00 O ATOM 0 H ASP A 111 -13.478 -11.219 0.296 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.181 -9.018 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.619 -12.009 1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.907 -10.820 1.069 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.249 -10.602 3.385 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.244 -10.576 4.847 1.00 0.00 C ATOM 1834 C ASN A 112 -13.658 -9.262 5.363 1.00 0.00 C ATOM 1835 O ASN A 112 -13.960 -8.830 6.479 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.457 -11.777 5.396 1.00 0.00 C ATOM 1837 CG ASN A 112 -13.293 -11.743 6.909 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -14.158 -12.205 7.652 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -12.168 -11.214 7.373 1.00 0.00 N ATOM 0 H ASN A 112 -13.601 -11.276 2.978 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.273 -10.646 5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.967 -12.698 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.472 -11.802 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.997 -11.180 8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.474 -10.841 6.725 1.00 0.00 H new ATOM 1846 N GLU A 113 -12.812 -8.625 4.556 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.280 -7.316 4.914 1.00 0.00 C ATOM 1848 C GLU A 113 -13.316 -6.248 4.590 1.00 0.00 C ATOM 1849 O GLU A 113 -13.639 -5.413 5.435 1.00 0.00 O ATOM 1850 CB GLU A 113 -10.959 -7.015 4.188 1.00 0.00 C ATOM 1851 CG GLU A 113 -9.928 -6.294 5.062 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.507 -5.126 5.853 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -10.539 -3.992 5.329 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -10.927 -5.337 7.015 1.00 0.00 O ATOM 0 H GLU A 113 -12.485 -8.990 3.661 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.066 -7.315 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.529 -7.951 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.168 -6.405 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.489 -7.010 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.120 -5.928 4.429 1.00 0.00 H new