USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 700 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 17 SER OG : rot 52:sc= 1.12 USER MOD Set 1.2: A 60 SER OG : rot -11:sc= 0.709 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= -0.242 USER MOD Set 2.2: A 46 GLN : amide:sc= 0 X(o=-0.24,f=-0.096) USER MOD Single : A 1 VAL N :NH3+ 172:sc= -0.48 (180deg=-0.981) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 63:sc= 0.276! USER MOD Single : A 16 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 21 SER OG : rot -45:sc= -1.11! USER MOD Single : A 28 THR OG1 : rot 160:sc= 0.0272 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.53! USER MOD Single : A 42 ASN : amide:sc= -0.052 X(o=-0.052,f=-0.38) USER MOD Single : A 43 SER OG : rot 180:sc= -0.243 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00693 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.272 USER MOD Single : A 91 ASN : amide:sc= -0.815 K(o=-0.82,f=-2.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0424 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.589 16.947 -15.132 1.00 0.00 N ATOM 2 CA VAL A 1 11.584 15.581 -14.560 1.00 0.00 C ATOM 3 C VAL A 1 10.154 15.165 -14.217 1.00 0.00 C ATOM 4 O VAL A 1 9.921 14.088 -13.709 1.00 0.00 O ATOM 5 CB VAL A 1 12.437 15.548 -13.277 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.934 16.622 -12.304 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.311 14.171 -12.622 1.00 0.00 C ATOM 0 H1 VAL A 1 12.570 17.276 -15.237 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.127 16.935 -16.063 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.074 17.591 -14.498 1.00 0.00 H new ATOM 0 HA VAL A 1 11.999 14.892 -15.295 1.00 0.00 H new ATOM 0 HB VAL A 1 13.480 15.741 -13.526 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.536 16.601 -11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.017 17.603 -12.771 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.891 16.426 -12.053 1.00 0.00 H new ATOM 0 HG21 VAL A 1 12.913 14.144 -11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.267 13.982 -12.371 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.663 13.406 -13.314 1.00 0.00 H new ATOM 19 N SER A 2 9.222 16.032 -14.507 1.00 0.00 N ATOM 20 CA SER A 2 7.801 15.709 -14.209 1.00 0.00 C ATOM 21 C SER A 2 7.621 15.314 -12.748 1.00 0.00 C ATOM 22 O SER A 2 8.511 15.495 -11.940 1.00 0.00 O ATOM 23 CB SER A 2 7.375 14.530 -15.097 1.00 0.00 C ATOM 24 OG SER A 2 7.823 14.892 -16.395 1.00 0.00 O ATOM 0 H SER A 2 9.383 16.944 -14.935 1.00 0.00 H new ATOM 0 HA SER A 2 7.191 16.591 -14.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.829 13.597 -14.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.295 14.384 -15.075 1.00 0.00 H new ATOM 0 HG SER A 2 7.590 14.184 -17.031 1.00 0.00 H new ATOM 30 N ASP A 3 6.460 14.781 -12.439 1.00 0.00 N ATOM 31 CA ASP A 3 6.183 14.361 -11.037 1.00 0.00 C ATOM 32 C ASP A 3 5.573 12.966 -11.008 1.00 0.00 C ATOM 33 O ASP A 3 4.768 12.652 -10.153 1.00 0.00 O ATOM 34 CB ASP A 3 5.183 15.351 -10.421 1.00 0.00 C ATOM 35 CG ASP A 3 5.255 15.257 -8.894 1.00 0.00 C ATOM 36 OD1 ASP A 3 5.740 14.235 -8.440 1.00 0.00 O ATOM 37 OD2 ASP A 3 4.822 16.213 -8.271 1.00 0.00 O ATOM 0 H ASP A 3 5.699 14.622 -13.099 1.00 0.00 H new ATOM 0 HA ASP A 3 7.117 14.350 -10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.411 16.366 -10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.173 15.126 -10.764 1.00 0.00 H new ATOM 42 N VAL A 4 5.969 12.155 -11.948 1.00 0.00 N ATOM 43 CA VAL A 4 5.432 10.778 -12.003 1.00 0.00 C ATOM 44 C VAL A 4 5.828 10.008 -10.714 1.00 0.00 C ATOM 45 O VAL A 4 6.901 10.224 -10.184 1.00 0.00 O ATOM 46 CB VAL A 4 6.066 10.096 -13.259 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.673 8.721 -12.907 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.989 9.910 -14.332 1.00 0.00 C ATOM 0 H VAL A 4 6.641 12.391 -12.678 1.00 0.00 H new ATOM 0 HA VAL A 4 4.344 10.779 -12.071 1.00 0.00 H new ATOM 0 HB VAL A 4 6.865 10.739 -13.628 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.105 8.274 -13.802 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.450 8.849 -12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.893 8.068 -12.516 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.428 9.435 -15.209 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.190 9.281 -13.940 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.582 10.882 -14.611 1.00 0.00 H new ATOM 58 N PRO A 5 4.955 9.116 -10.220 1.00 0.00 N ATOM 59 CA PRO A 5 5.265 8.357 -9.010 1.00 0.00 C ATOM 60 C PRO A 5 6.634 7.686 -9.114 1.00 0.00 C ATOM 61 O PRO A 5 7.235 7.662 -10.170 1.00 0.00 O ATOM 62 CB PRO A 5 4.160 7.282 -8.920 1.00 0.00 C ATOM 63 CG PRO A 5 3.131 7.579 -10.058 1.00 0.00 C ATOM 64 CD PRO A 5 3.642 8.812 -10.823 1.00 0.00 C ATOM 0 HA PRO A 5 5.298 9.002 -8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.584 6.284 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.674 7.311 -7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.039 6.723 -10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.141 7.767 -9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.735 8.605 -11.889 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.956 9.653 -10.721 1.00 0.00 H new ATOM 72 N ARG A 6 7.104 7.152 -8.016 1.00 0.00 N ATOM 73 CA ARG A 6 8.433 6.484 -8.050 1.00 0.00 C ATOM 74 C ARG A 6 8.766 5.826 -6.713 1.00 0.00 C ATOM 75 O ARG A 6 8.044 5.978 -5.747 1.00 0.00 O ATOM 76 CB ARG A 6 9.491 7.556 -8.337 1.00 0.00 C ATOM 77 CG ARG A 6 9.206 8.777 -7.459 1.00 0.00 C ATOM 78 CD ARG A 6 10.450 9.670 -7.414 1.00 0.00 C ATOM 79 NE ARG A 6 11.411 9.114 -6.418 1.00 0.00 N ATOM 80 CZ ARG A 6 12.248 9.916 -5.817 1.00 0.00 C ATOM 81 NH1 ARG A 6 11.887 10.480 -4.697 1.00 0.00 N ATOM 82 NH2 ARG A 6 13.418 10.129 -6.354 1.00 0.00 N ATOM 0 H ARG A 6 6.632 7.150 -7.112 1.00 0.00 H new ATOM 0 HA ARG A 6 8.417 5.710 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.488 7.167 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.469 7.835 -9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.358 9.335 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.935 8.460 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.914 9.718 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.173 10.688 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 6 11.414 8.116 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.964 10.291 -4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.528 11.109 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.668 9.672 -7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.083 10.753 -5.897 1.00 0.00 H new ATOM 96 N ASP A 7 9.865 5.105 -6.687 1.00 0.00 N ATOM 97 CA ASP A 7 10.276 4.425 -5.428 1.00 0.00 C ATOM 98 C ASP A 7 9.410 3.202 -5.149 1.00 0.00 C ATOM 99 O ASP A 7 9.082 2.921 -4.015 1.00 0.00 O ATOM 100 CB ASP A 7 10.116 5.421 -4.264 1.00 0.00 C ATOM 101 CG ASP A 7 11.219 5.185 -3.231 1.00 0.00 C ATOM 102 OD1 ASP A 7 12.354 5.075 -3.664 1.00 0.00 O ATOM 103 OD2 ASP A 7 10.864 5.132 -2.066 1.00 0.00 O ATOM 0 H ASP A 7 10.488 4.962 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 7 11.310 4.097 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.167 6.444 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.137 5.299 -3.800 1.00 0.00 H new ATOM 108 N LEU A 8 9.063 2.490 -6.186 1.00 0.00 N ATOM 109 CA LEU A 8 8.216 1.282 -5.990 1.00 0.00 C ATOM 110 C LEU A 8 9.085 0.059 -5.682 1.00 0.00 C ATOM 111 O LEU A 8 9.800 -0.424 -6.538 1.00 0.00 O ATOM 112 CB LEU A 8 7.427 1.024 -7.291 1.00 0.00 C ATOM 113 CG LEU A 8 6.790 2.339 -7.773 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.461 2.778 -9.076 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.298 2.117 -8.032 1.00 0.00 C ATOM 0 H LEU A 8 9.327 2.690 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 8 7.539 1.449 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.091 0.626 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.654 0.275 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 8 6.922 3.107 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.012 3.710 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.526 2.931 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.323 2.007 -9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.846 3.048 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.172 1.350 -8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.813 1.794 -7.111 1.00 0.00 H new ATOM 127 N GLU A 9 9.003 -0.421 -4.458 1.00 0.00 N ATOM 128 CA GLU A 9 9.819 -1.611 -4.076 1.00 0.00 C ATOM 129 C GLU A 9 9.027 -2.586 -3.196 1.00 0.00 C ATOM 130 O GLU A 9 8.005 -2.237 -2.621 1.00 0.00 O ATOM 131 CB GLU A 9 11.036 -1.112 -3.270 1.00 0.00 C ATOM 132 CG GLU A 9 12.207 -2.095 -3.424 1.00 0.00 C ATOM 133 CD GLU A 9 13.161 -1.580 -4.504 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.622 -0.464 -4.329 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.376 -2.331 -5.439 1.00 0.00 O ATOM 0 H GLU A 9 8.412 -0.041 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 9 10.115 -2.135 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.333 -0.123 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.770 -1.013 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.735 -2.201 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.834 -3.083 -3.693 1.00 0.00 H new ATOM 142 N VAL A 10 9.527 -3.799 -3.119 1.00 0.00 N ATOM 143 CA VAL A 10 8.858 -4.838 -2.298 1.00 0.00 C ATOM 144 C VAL A 10 9.448 -4.855 -0.889 1.00 0.00 C ATOM 145 O VAL A 10 10.522 -5.380 -0.672 1.00 0.00 O ATOM 146 CB VAL A 10 9.121 -6.201 -2.960 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.661 -7.314 -2.019 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.329 -6.283 -4.268 1.00 0.00 C ATOM 0 H VAL A 10 10.375 -4.107 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 10 7.790 -4.629 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 10 10.185 -6.313 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.845 -8.283 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.214 -7.250 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.595 -7.204 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.510 -7.247 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.265 -6.177 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.647 -5.483 -4.937 1.00 0.00 H new ATOM 158 N VAL A 11 8.738 -4.278 0.046 1.00 0.00 N ATOM 159 CA VAL A 11 9.252 -4.256 1.440 1.00 0.00 C ATOM 160 C VAL A 11 9.184 -5.640 2.083 1.00 0.00 C ATOM 161 O VAL A 11 9.508 -5.800 3.242 1.00 0.00 O ATOM 162 CB VAL A 11 8.385 -3.284 2.266 1.00 0.00 C ATOM 163 CG1 VAL A 11 8.945 -3.191 3.690 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.419 -1.896 1.619 1.00 0.00 C ATOM 0 H VAL A 11 7.834 -3.827 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 11 10.294 -3.938 1.420 1.00 0.00 H new ATOM 0 HB VAL A 11 7.358 -3.648 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.335 -2.505 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.928 -4.178 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.971 -2.824 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.807 -1.208 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.446 -1.533 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.028 -1.958 0.603 1.00 0.00 H new ATOM 174 N ALA A 12 8.768 -6.620 1.324 1.00 0.00 N ATOM 175 CA ALA A 12 8.682 -7.990 1.897 1.00 0.00 C ATOM 176 C ALA A 12 7.930 -8.932 0.969 1.00 0.00 C ATOM 177 O ALA A 12 7.109 -8.510 0.186 1.00 0.00 O ATOM 178 CB ALA A 12 7.918 -7.908 3.225 1.00 0.00 C ATOM 0 H ALA A 12 8.489 -6.531 0.347 1.00 0.00 H new ATOM 0 HA ALA A 12 9.692 -8.374 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.843 -8.903 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.450 -7.248 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.918 -7.514 3.046 1.00 0.00 H new ATOM 184 N ALA A 13 8.222 -10.198 1.079 1.00 0.00 N ATOM 185 CA ALA A 13 7.532 -11.177 0.210 1.00 0.00 C ATOM 186 C ALA A 13 7.399 -12.528 0.917 1.00 0.00 C ATOM 187 O ALA A 13 8.293 -13.350 0.877 1.00 0.00 O ATOM 188 CB ALA A 13 8.362 -11.347 -1.077 1.00 0.00 C ATOM 0 H ALA A 13 8.904 -10.590 1.729 1.00 0.00 H new ATOM 0 HA ALA A 13 6.531 -10.815 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.872 -12.065 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.444 -10.387 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.358 -11.709 -0.822 1.00 0.00 H new ATOM 194 N THR A 14 6.279 -12.728 1.562 1.00 0.00 N ATOM 195 CA THR A 14 6.067 -14.013 2.275 1.00 0.00 C ATOM 196 C THR A 14 5.374 -15.039 1.352 1.00 0.00 C ATOM 197 O THR A 14 4.795 -14.672 0.348 1.00 0.00 O ATOM 198 CB THR A 14 5.161 -13.732 3.481 1.00 0.00 C ATOM 199 OG1 THR A 14 4.617 -12.452 3.240 1.00 0.00 O ATOM 200 CG2 THR A 14 5.988 -13.560 4.767 1.00 0.00 C ATOM 0 H THR A 14 5.510 -12.060 1.623 1.00 0.00 H new ATOM 0 HA THR A 14 7.027 -14.424 2.588 1.00 0.00 H new ATOM 0 HB THR A 14 4.441 -14.542 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.076 -12.475 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.320 -13.362 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.553 -14.472 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.677 -12.724 4.647 1.00 0.00 H new ATOM 208 N PRO A 15 5.445 -16.325 1.714 1.00 0.00 N ATOM 209 CA PRO A 15 4.822 -17.383 0.908 1.00 0.00 C ATOM 210 C PRO A 15 3.300 -17.239 0.847 1.00 0.00 C ATOM 211 O PRO A 15 2.614 -18.124 0.376 1.00 0.00 O ATOM 212 CB PRO A 15 5.167 -18.696 1.639 1.00 0.00 C ATOM 213 CG PRO A 15 5.903 -18.315 2.958 1.00 0.00 C ATOM 214 CD PRO A 15 6.151 -16.799 2.919 1.00 0.00 C ATOM 0 HA PRO A 15 5.184 -17.344 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.262 -19.264 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.799 -19.328 1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.301 -18.584 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.845 -18.857 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.768 -16.314 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.216 -16.575 2.865 1.00 0.00 H new ATOM 222 N THR A 16 2.798 -16.138 1.327 1.00 0.00 N ATOM 223 CA THR A 16 1.329 -15.942 1.294 1.00 0.00 C ATOM 224 C THR A 16 0.968 -14.506 1.638 1.00 0.00 C ATOM 225 O THR A 16 -0.096 -14.233 2.156 1.00 0.00 O ATOM 226 CB THR A 16 0.695 -16.873 2.329 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.680 -16.548 2.330 1.00 0.00 O ATOM 228 CG2 THR A 16 1.176 -16.529 3.747 1.00 0.00 C ATOM 0 H THR A 16 3.336 -15.374 1.736 1.00 0.00 H new ATOM 0 HA THR A 16 0.962 -16.163 0.292 1.00 0.00 H new ATOM 0 HB THR A 16 0.934 -17.909 2.088 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.801 -15.639 2.675 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.710 -17.206 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.260 -16.635 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.900 -15.502 3.986 1.00 0.00 H new ATOM 236 N SER A 17 1.867 -13.612 1.345 1.00 0.00 N ATOM 237 CA SER A 17 1.604 -12.188 1.644 1.00 0.00 C ATOM 238 C SER A 17 2.711 -11.312 1.081 1.00 0.00 C ATOM 239 O SER A 17 3.867 -11.680 1.112 1.00 0.00 O ATOM 240 CB SER A 17 1.553 -12.010 3.168 1.00 0.00 C ATOM 241 OG SER A 17 0.268 -11.452 3.408 1.00 0.00 O ATOM 0 H SER A 17 2.769 -13.809 0.912 1.00 0.00 H new ATOM 0 HA SER A 17 0.658 -11.895 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.678 -12.961 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.346 -11.350 3.519 1.00 0.00 H new ATOM 0 HG SER A 17 -0.415 -12.008 2.979 1.00 0.00 H new ATOM 247 N LEU A 18 2.329 -10.168 0.570 1.00 0.00 N ATOM 248 CA LEU A 18 3.334 -9.240 -0.007 1.00 0.00 C ATOM 249 C LEU A 18 3.124 -7.838 0.554 1.00 0.00 C ATOM 250 O LEU A 18 2.013 -7.446 0.841 1.00 0.00 O ATOM 251 CB LEU A 18 3.141 -9.242 -1.559 1.00 0.00 C ATOM 252 CG LEU A 18 3.853 -8.038 -2.224 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.355 -8.096 -1.940 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.646 -8.114 -3.738 1.00 0.00 C ATOM 0 H LEU A 18 1.363 -9.842 0.530 1.00 0.00 H new ATOM 0 HA LEU A 18 4.346 -9.556 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.532 -10.171 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.077 -9.211 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 18 3.439 -7.113 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.848 -7.246 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.523 -8.062 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.766 -9.022 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.144 -7.270 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.067 -9.046 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.580 -8.080 -3.962 1.00 0.00 H new ATOM 266 N LEU A 19 4.203 -7.122 0.718 1.00 0.00 N ATOM 267 CA LEU A 19 4.104 -5.741 1.258 1.00 0.00 C ATOM 268 C LEU A 19 4.842 -4.768 0.350 1.00 0.00 C ATOM 269 O LEU A 19 6.057 -4.743 0.324 1.00 0.00 O ATOM 270 CB LEU A 19 4.755 -5.723 2.651 1.00 0.00 C ATOM 271 CG LEU A 19 3.882 -4.905 3.603 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.541 -4.869 4.981 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.755 -3.475 3.071 1.00 0.00 C ATOM 0 H LEU A 19 5.149 -7.436 0.500 1.00 0.00 H new ATOM 0 HA LEU A 19 3.057 -5.442 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.868 -6.740 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.754 -5.291 2.593 1.00 0.00 H new ATOM 0 HG LEU A 19 2.894 -5.359 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.923 -4.287 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.645 -5.885 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.526 -4.409 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.133 -2.889 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.744 -3.023 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.297 -3.494 2.082 1.00 0.00 H new ATOM 285 N ILE A 20 4.087 -3.980 -0.383 1.00 0.00 N ATOM 286 CA ILE A 20 4.729 -2.998 -1.303 1.00 0.00 C ATOM 287 C ILE A 20 4.678 -1.592 -0.737 1.00 0.00 C ATOM 288 O ILE A 20 3.997 -1.328 0.240 1.00 0.00 O ATOM 289 CB ILE A 20 3.977 -3.023 -2.646 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.702 -2.170 -2.572 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.582 -4.478 -2.944 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.849 -2.430 -3.814 1.00 0.00 C ATOM 0 H ILE A 20 3.067 -3.977 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 20 5.775 -3.275 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 20 4.621 -2.620 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.138 -2.415 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.961 -1.113 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.047 -4.523 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.480 -5.094 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.939 -4.851 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.943 -1.826 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.415 -2.164 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.580 -3.485 -3.856 1.00 0.00 H new ATOM 304 N SER A 21 5.397 -0.710 -1.374 1.00 0.00 N ATOM 305 CA SER A 21 5.421 0.700 -0.909 1.00 0.00 C ATOM 306 C SER A 21 5.983 1.608 -1.993 1.00 0.00 C ATOM 307 O SER A 21 6.993 1.291 -2.592 1.00 0.00 O ATOM 308 CB SER A 21 6.332 0.789 0.329 1.00 0.00 C ATOM 309 OG SER A 21 5.908 -0.281 1.159 1.00 0.00 O ATOM 0 H SER A 21 5.968 -0.907 -2.196 1.00 0.00 H new ATOM 0 HA SER A 21 4.406 1.017 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.383 0.688 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.224 1.749 0.833 1.00 0.00 H new ATOM 0 HG SER A 21 4.929 -0.300 1.194 1.00 0.00 H new ATOM 315 N TRP A 22 5.319 2.728 -2.232 1.00 0.00 N ATOM 316 CA TRP A 22 5.819 3.659 -3.282 1.00 0.00 C ATOM 317 C TRP A 22 5.828 5.109 -2.794 1.00 0.00 C ATOM 318 O TRP A 22 5.844 5.357 -1.604 1.00 0.00 O ATOM 319 CB TRP A 22 4.957 3.502 -4.565 1.00 0.00 C ATOM 320 CG TRP A 22 3.538 4.043 -4.369 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.116 5.192 -4.867 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.568 3.412 -3.740 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.818 5.239 -4.506 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.393 4.143 -3.783 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.582 2.182 -3.105 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.248 3.653 -3.189 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.436 1.695 -2.512 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.269 2.430 -2.554 1.00 0.00 C ATOM 0 H TRP A 22 4.470 3.023 -1.750 1.00 0.00 H new ATOM 0 HA TRP A 22 6.852 3.400 -3.513 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.436 4.029 -5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.909 2.449 -4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.679 5.922 -5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.204 6.017 -4.746 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.493 1.602 -3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.665 4.228 -3.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.452 0.737 -2.014 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.628 2.047 -2.089 1.00 0.00 H new ATOM 339 N ASP A 23 5.808 6.040 -3.719 1.00 0.00 N ATOM 340 CA ASP A 23 5.825 7.492 -3.311 1.00 0.00 C ATOM 341 C ASP A 23 4.470 8.195 -3.494 1.00 0.00 C ATOM 342 O ASP A 23 3.518 7.624 -3.976 1.00 0.00 O ATOM 343 CB ASP A 23 6.874 8.201 -4.197 1.00 0.00 C ATOM 344 CG ASP A 23 6.962 9.681 -3.815 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.149 9.924 -2.635 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.840 10.482 -4.726 1.00 0.00 O ATOM 0 H ASP A 23 5.781 5.867 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 23 6.061 7.543 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.847 7.726 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.602 8.103 -5.248 1.00 0.00 H new ATOM 351 N ALA A 24 4.431 9.439 -3.077 1.00 0.00 N ATOM 352 CA ALA A 24 3.186 10.236 -3.193 1.00 0.00 C ATOM 353 C ALA A 24 3.535 11.753 -3.251 1.00 0.00 C ATOM 354 O ALA A 24 3.794 12.353 -2.227 1.00 0.00 O ATOM 355 CB ALA A 24 2.346 9.984 -1.928 1.00 0.00 C ATOM 0 H ALA A 24 5.220 9.933 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 24 2.645 9.951 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.421 10.559 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.110 8.923 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.911 10.292 -1.048 1.00 0.00 H new ATOM 361 N PRO A 25 3.540 12.363 -4.453 1.00 0.00 N ATOM 362 CA PRO A 25 3.864 13.788 -4.570 1.00 0.00 C ATOM 363 C PRO A 25 2.943 14.660 -3.725 1.00 0.00 C ATOM 364 O PRO A 25 2.010 14.177 -3.116 1.00 0.00 O ATOM 365 CB PRO A 25 3.675 14.120 -6.060 1.00 0.00 C ATOM 366 CG PRO A 25 3.441 12.774 -6.806 1.00 0.00 C ATOM 367 CD PRO A 25 3.220 11.697 -5.731 1.00 0.00 C ATOM 0 HA PRO A 25 4.875 13.984 -4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.827 14.790 -6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.553 14.631 -6.455 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.576 12.844 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.299 12.525 -7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.192 11.334 -5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.864 10.834 -5.899 1.00 0.00 H new ATOM 375 N ALA A 26 3.227 15.935 -3.708 1.00 0.00 N ATOM 376 CA ALA A 26 2.388 16.862 -2.913 1.00 0.00 C ATOM 377 C ALA A 26 1.273 17.473 -3.759 1.00 0.00 C ATOM 378 O ALA A 26 0.431 18.183 -3.250 1.00 0.00 O ATOM 379 CB ALA A 26 3.287 17.994 -2.392 1.00 0.00 C ATOM 0 H ALA A 26 4.002 16.368 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 26 1.930 16.306 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.690 18.690 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.076 17.574 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.733 18.522 -3.235 1.00 0.00 H new ATOM 385 N VAL A 27 1.281 17.190 -5.036 1.00 0.00 N ATOM 386 CA VAL A 27 0.218 17.760 -5.905 1.00 0.00 C ATOM 387 C VAL A 27 -1.153 17.281 -5.440 1.00 0.00 C ATOM 388 O VAL A 27 -1.260 16.323 -4.698 1.00 0.00 O ATOM 389 CB VAL A 27 0.438 17.288 -7.362 1.00 0.00 C ATOM 390 CG1 VAL A 27 -0.356 18.199 -8.314 1.00 0.00 C ATOM 391 CG2 VAL A 27 1.936 17.367 -7.719 1.00 0.00 C ATOM 0 H VAL A 27 1.967 16.599 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 27 0.263 18.848 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 27 0.098 16.257 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.205 17.871 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.417 18.146 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.010 19.227 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.083 17.033 -8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.280 18.396 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.505 16.727 -7.044 1.00 0.00 H new ATOM 401 N THR A 28 -2.174 17.954 -5.885 1.00 0.00 N ATOM 402 CA THR A 28 -3.546 17.557 -5.484 1.00 0.00 C ATOM 403 C THR A 28 -3.867 16.159 -5.984 1.00 0.00 C ATOM 404 O THR A 28 -4.236 15.978 -7.126 1.00 0.00 O ATOM 405 CB THR A 28 -4.531 18.536 -6.117 1.00 0.00 C ATOM 406 OG1 THR A 28 -4.005 19.821 -5.856 1.00 0.00 O ATOM 407 CG2 THR A 28 -5.877 18.509 -5.379 1.00 0.00 C ATOM 0 H THR A 28 -2.117 18.760 -6.508 1.00 0.00 H new ATOM 0 HA THR A 28 -3.619 17.569 -4.397 1.00 0.00 H new ATOM 0 HB THR A 28 -4.668 18.292 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.390 20.466 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.563 19.215 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.299 17.505 -5.428 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.726 18.788 -4.336 1.00 0.00 H new ATOM 415 N VAL A 29 -3.729 15.195 -5.121 1.00 0.00 N ATOM 416 CA VAL A 29 -4.022 13.801 -5.531 1.00 0.00 C ATOM 417 C VAL A 29 -5.446 13.404 -5.167 1.00 0.00 C ATOM 418 O VAL A 29 -5.877 13.582 -4.045 1.00 0.00 O ATOM 419 CB VAL A 29 -3.042 12.876 -4.792 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.631 11.463 -4.705 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.727 12.829 -5.570 1.00 0.00 C ATOM 0 H VAL A 29 -3.427 15.313 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.913 13.717 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.868 13.254 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.934 10.810 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.576 11.495 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.803 11.078 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.023 12.175 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.911 12.445 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.308 13.833 -5.637 1.00 0.00 H new ATOM 431 N ARG A 30 -6.152 12.870 -6.128 1.00 0.00 N ATOM 432 CA ARG A 30 -7.549 12.454 -5.862 1.00 0.00 C ATOM 433 C ARG A 30 -7.569 11.080 -5.202 1.00 0.00 C ATOM 434 O ARG A 30 -7.966 10.944 -4.061 1.00 0.00 O ATOM 435 CB ARG A 30 -8.297 12.383 -7.208 1.00 0.00 C ATOM 436 CG ARG A 30 -9.630 13.119 -7.079 1.00 0.00 C ATOM 437 CD ARG A 30 -10.310 13.172 -8.445 1.00 0.00 C ATOM 438 NE ARG A 30 -11.777 13.311 -8.242 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.388 14.374 -8.681 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.499 14.553 -9.968 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.868 15.224 -7.816 1.00 0.00 N ATOM 0 H ARG A 30 -5.820 12.707 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.027 13.171 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.694 12.832 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.467 11.344 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.272 12.610 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.466 14.128 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.928 14.012 -9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.091 12.267 -9.012 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.301 12.579 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.110 13.866 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.975 15.380 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.761 15.050 -6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.350 16.063 -8.139 1.00 0.00 H new ATOM 455 N TYR A 31 -7.144 10.087 -5.931 1.00 0.00 N ATOM 456 CA TYR A 31 -7.130 8.717 -5.357 1.00 0.00 C ATOM 457 C TYR A 31 -6.193 7.811 -6.133 1.00 0.00 C ATOM 458 O TYR A 31 -5.795 8.116 -7.244 1.00 0.00 O ATOM 459 CB TYR A 31 -8.549 8.113 -5.405 1.00 0.00 C ATOM 460 CG TYR A 31 -9.346 8.711 -6.571 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.137 8.276 -7.864 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.305 9.673 -6.337 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.879 8.797 -8.906 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.045 10.193 -7.380 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.837 9.758 -8.672 1.00 0.00 C ATOM 466 OH TYR A 31 -11.583 10.270 -9.712 1.00 0.00 O ATOM 0 H TYR A 31 -6.809 10.165 -6.891 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.784 8.791 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.487 7.030 -5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.066 8.308 -4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.388 7.523 -8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.479 10.023 -5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.706 8.448 -9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.793 10.947 -7.182 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.212 10.937 -9.366 1.00 0.00 H new ATOM 476 N TYR A 32 -5.860 6.711 -5.521 1.00 0.00 N ATOM 477 CA TYR A 32 -4.949 5.735 -6.169 1.00 0.00 C ATOM 478 C TYR A 32 -5.653 4.394 -6.313 1.00 0.00 C ATOM 479 O TYR A 32 -6.463 4.041 -5.483 1.00 0.00 O ATOM 480 CB TYR A 32 -3.734 5.534 -5.245 1.00 0.00 C ATOM 481 CG TYR A 32 -2.537 6.346 -5.745 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.464 7.704 -5.510 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.489 5.723 -6.394 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.358 8.425 -5.914 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.384 6.446 -6.797 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.312 7.802 -6.558 1.00 0.00 C ATOM 487 OH TYR A 32 0.794 8.527 -6.941 1.00 0.00 O ATOM 0 H TYR A 32 -6.184 6.446 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.650 6.104 -7.150 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.988 5.838 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.472 4.477 -5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.277 8.206 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.534 4.662 -6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.313 9.487 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.429 5.946 -7.303 1.00 0.00 H new ATOM 0 HH TYR A 32 1.438 7.934 -7.381 1.00 0.00 H new ATOM 497 N ARG A 33 -5.342 3.678 -7.364 1.00 0.00 N ATOM 498 CA ARG A 33 -5.994 2.350 -7.566 1.00 0.00 C ATOM 499 C ARG A 33 -4.938 1.294 -7.822 1.00 0.00 C ATOM 500 O ARG A 33 -4.307 1.283 -8.859 1.00 0.00 O ATOM 501 CB ARG A 33 -6.943 2.435 -8.771 1.00 0.00 C ATOM 502 CG ARG A 33 -7.338 3.903 -8.992 1.00 0.00 C ATOM 503 CD ARG A 33 -8.455 3.983 -10.041 1.00 0.00 C ATOM 504 NE ARG A 33 -9.565 3.064 -9.652 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.950 2.136 -10.487 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.269 1.024 -10.553 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.002 2.350 -11.226 1.00 0.00 N ATOM 0 H ARG A 33 -4.672 3.952 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.557 2.079 -6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.457 2.037 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.831 1.828 -8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.674 4.345 -8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.473 4.477 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.824 5.006 -10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.068 3.709 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.018 3.160 -8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.451 0.891 -9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.555 0.288 -11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.510 3.231 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.317 1.637 -11.883 1.00 0.00 H new ATOM 521 N ILE A 34 -4.768 0.422 -6.864 1.00 0.00 N ATOM 522 CA ILE A 34 -3.756 -0.646 -7.017 1.00 0.00 C ATOM 523 C ILE A 34 -4.390 -1.973 -7.416 1.00 0.00 C ATOM 524 O ILE A 34 -5.054 -2.612 -6.622 1.00 0.00 O ATOM 525 CB ILE A 34 -3.049 -0.833 -5.672 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.477 0.508 -5.177 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.879 -1.811 -5.879 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.611 1.442 -4.710 1.00 0.00 C ATOM 0 H ILE A 34 -5.288 0.408 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.060 -0.351 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.760 -1.212 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.782 0.332 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.911 0.986 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.358 -1.961 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.262 -2.766 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.186 -1.399 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.187 2.385 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.290 1.633 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.159 0.970 -3.895 1.00 0.00 H new ATOM 540 N THR A 35 -4.168 -2.357 -8.645 1.00 0.00 N ATOM 541 CA THR A 35 -4.736 -3.637 -9.139 1.00 0.00 C ATOM 542 C THR A 35 -3.635 -4.675 -9.214 1.00 0.00 C ATOM 543 O THR A 35 -2.497 -4.338 -9.471 1.00 0.00 O ATOM 544 CB THR A 35 -5.300 -3.404 -10.544 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.217 -3.631 -11.423 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.662 -1.925 -10.748 1.00 0.00 C ATOM 0 H THR A 35 -3.616 -1.836 -9.326 1.00 0.00 H new ATOM 0 HA THR A 35 -5.521 -3.985 -8.468 1.00 0.00 H new ATOM 0 HB THR A 35 -6.174 -4.036 -10.702 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.513 -3.499 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.060 -1.783 -11.753 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.413 -1.630 -10.015 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.770 -1.311 -10.621 1.00 0.00 H new ATOM 554 N TYR A 36 -3.968 -5.924 -8.988 1.00 0.00 N ATOM 555 CA TYR A 36 -2.905 -6.948 -9.055 1.00 0.00 C ATOM 556 C TYR A 36 -3.435 -8.289 -9.512 1.00 0.00 C ATOM 557 O TYR A 36 -4.581 -8.644 -9.252 1.00 0.00 O ATOM 558 CB TYR A 36 -2.295 -7.104 -7.653 1.00 0.00 C ATOM 559 CG TYR A 36 -3.314 -7.755 -6.716 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.360 -7.019 -6.196 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.195 -9.085 -6.370 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.272 -7.606 -5.342 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.105 -9.670 -5.515 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.150 -8.936 -4.995 1.00 0.00 C ATOM 565 OH TYR A 36 -6.059 -9.523 -4.139 1.00 0.00 O ATOM 0 H TYR A 36 -4.905 -6.262 -8.767 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.160 -6.621 -9.781 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.393 -7.713 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.000 -6.130 -7.264 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.465 -5.977 -6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.383 -9.673 -6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.087 -7.020 -4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.998 -10.712 -5.250 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.822 -10.464 -4.005 1.00 0.00 H new ATOM 575 N GLY A 37 -2.575 -9.009 -10.198 1.00 0.00 N ATOM 576 CA GLY A 37 -2.952 -10.349 -10.712 1.00 0.00 C ATOM 577 C GLY A 37 -1.821 -10.906 -11.593 1.00 0.00 C ATOM 578 O GLY A 37 -1.079 -10.157 -12.201 1.00 0.00 O ATOM 0 H GLY A 37 -1.624 -8.716 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.145 -11.027 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.875 -10.281 -11.288 1.00 0.00 H new ATOM 582 N GLU A 38 -1.702 -12.207 -11.634 1.00 0.00 N ATOM 583 CA GLU A 38 -0.641 -12.807 -12.457 1.00 0.00 C ATOM 584 C GLU A 38 -1.038 -12.815 -13.929 1.00 0.00 C ATOM 585 O GLU A 38 -2.062 -12.276 -14.300 1.00 0.00 O ATOM 586 CB GLU A 38 -0.430 -14.251 -11.987 1.00 0.00 C ATOM 587 CG GLU A 38 -1.777 -14.973 -11.932 1.00 0.00 C ATOM 588 CD GLU A 38 -1.539 -16.467 -11.700 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.924 -16.766 -10.689 1.00 0.00 O ATOM 590 OE2 GLU A 38 -1.986 -17.226 -12.546 1.00 0.00 O ATOM 0 H GLU A 38 -2.296 -12.867 -11.132 1.00 0.00 H new ATOM 0 HA GLU A 38 0.273 -12.223 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.245 -14.771 -12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.039 -14.259 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.391 -14.562 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.323 -14.820 -12.863 1.00 0.00 H new ATOM 597 N THR A 39 -0.221 -13.424 -14.742 1.00 0.00 N ATOM 598 CA THR A 39 -0.542 -13.473 -16.186 1.00 0.00 C ATOM 599 C THR A 39 -1.959 -13.987 -16.405 1.00 0.00 C ATOM 600 O THR A 39 -2.641 -14.347 -15.465 1.00 0.00 O ATOM 601 CB THR A 39 0.444 -14.424 -16.868 1.00 0.00 C ATOM 602 OG1 THR A 39 -0.015 -14.547 -18.199 1.00 0.00 O ATOM 603 CG2 THR A 39 0.329 -15.841 -16.287 1.00 0.00 C ATOM 0 H THR A 39 0.647 -13.885 -14.468 1.00 0.00 H new ATOM 0 HA THR A 39 -0.467 -12.469 -16.605 1.00 0.00 H new ATOM 0 HB THR A 39 1.460 -14.046 -16.753 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.579 -15.147 -18.696 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.040 -16.498 -16.788 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.548 -15.815 -15.220 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.683 -16.216 -16.441 1.00 0.00 H new ATOM 611 N GLY A 40 -2.376 -14.011 -17.645 1.00 0.00 N ATOM 612 CA GLY A 40 -3.754 -14.501 -17.952 1.00 0.00 C ATOM 613 C GLY A 40 -4.680 -13.318 -18.242 1.00 0.00 C ATOM 614 O GLY A 40 -5.395 -12.857 -17.376 1.00 0.00 O ATOM 0 H GLY A 40 -1.827 -13.715 -18.452 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.727 -15.171 -18.811 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.139 -15.077 -17.111 1.00 0.00 H new ATOM 618 N GLY A 41 -4.647 -12.852 -19.461 1.00 0.00 N ATOM 619 CA GLY A 41 -5.517 -11.700 -19.827 1.00 0.00 C ATOM 620 C GLY A 41 -5.028 -10.428 -19.130 1.00 0.00 C ATOM 621 O GLY A 41 -3.844 -10.160 -19.084 1.00 0.00 O ATOM 0 H GLY A 41 -4.061 -13.216 -20.212 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.509 -11.558 -20.908 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.548 -11.908 -19.540 1.00 0.00 H new ATOM 625 N ASN A 42 -5.951 -9.668 -18.603 1.00 0.00 N ATOM 626 CA ASN A 42 -5.554 -8.417 -17.910 1.00 0.00 C ATOM 627 C ASN A 42 -5.213 -8.697 -16.451 1.00 0.00 C ATOM 628 O ASN A 42 -4.078 -8.569 -16.042 1.00 0.00 O ATOM 629 CB ASN A 42 -6.735 -7.436 -17.966 1.00 0.00 C ATOM 630 CG ASN A 42 -6.374 -6.266 -18.882 1.00 0.00 C ATOM 631 OD1 ASN A 42 -5.748 -6.438 -19.909 1.00 0.00 O ATOM 632 ND2 ASN A 42 -6.752 -5.062 -18.552 1.00 0.00 N ATOM 0 H ASN A 42 -6.953 -9.860 -18.624 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.676 -7.998 -18.401 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.626 -7.942 -18.337 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.968 -7.072 -16.966 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.522 -4.272 -19.155 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.278 -4.911 -17.691 1.00 0.00 H new ATOM 639 N SER A 43 -6.209 -9.074 -15.693 1.00 0.00 N ATOM 640 CA SER A 43 -5.971 -9.371 -14.256 1.00 0.00 C ATOM 641 C SER A 43 -7.291 -9.677 -13.535 1.00 0.00 C ATOM 642 O SER A 43 -7.778 -8.877 -12.760 1.00 0.00 O ATOM 643 CB SER A 43 -5.336 -8.128 -13.605 1.00 0.00 C ATOM 644 OG SER A 43 -5.925 -7.035 -14.292 1.00 0.00 O ATOM 0 H SER A 43 -7.172 -9.188 -16.008 1.00 0.00 H new ATOM 0 HA SER A 43 -5.317 -10.240 -14.176 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.547 -8.087 -12.536 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.252 -8.130 -13.716 1.00 0.00 H new ATOM 0 HG SER A 43 -5.572 -6.194 -13.933 1.00 0.00 H new ATOM 650 N PRO A 44 -7.856 -10.839 -13.825 1.00 0.00 N ATOM 651 CA PRO A 44 -9.117 -11.257 -13.208 1.00 0.00 C ATOM 652 C PRO A 44 -8.931 -11.655 -11.739 1.00 0.00 C ATOM 653 O PRO A 44 -9.497 -12.626 -11.273 1.00 0.00 O ATOM 654 CB PRO A 44 -9.571 -12.484 -14.049 1.00 0.00 C ATOM 655 CG PRO A 44 -8.407 -12.829 -15.028 1.00 0.00 C ATOM 656 CD PRO A 44 -7.303 -11.777 -14.815 1.00 0.00 C ATOM 0 HA PRO A 44 -9.848 -10.449 -13.204 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.794 -13.333 -13.402 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.483 -12.256 -14.601 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.025 -13.831 -14.833 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.756 -12.816 -16.060 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.384 -12.237 -14.452 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.058 -11.268 -15.747 1.00 0.00 H new ATOM 664 N VAL A 45 -8.159 -10.877 -11.040 1.00 0.00 N ATOM 665 CA VAL A 45 -7.911 -11.175 -9.600 1.00 0.00 C ATOM 666 C VAL A 45 -8.583 -10.147 -8.705 1.00 0.00 C ATOM 667 O VAL A 45 -9.696 -10.360 -8.264 1.00 0.00 O ATOM 668 CB VAL A 45 -6.390 -11.187 -9.362 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.084 -11.064 -7.855 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.835 -12.521 -9.879 1.00 0.00 C ATOM 0 H VAL A 45 -7.688 -10.047 -11.400 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.336 -12.147 -9.351 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.930 -10.347 -9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.005 -11.074 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.496 -10.129 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.534 -11.902 -7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.757 -12.552 -9.721 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.305 -13.344 -9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.048 -12.616 -10.944 1.00 0.00 H new ATOM 680 N GLN A 46 -7.929 -9.051 -8.441 1.00 0.00 N ATOM 681 CA GLN A 46 -8.595 -8.047 -7.563 1.00 0.00 C ATOM 682 C GLN A 46 -7.869 -6.712 -7.547 1.00 0.00 C ATOM 683 O GLN A 46 -6.747 -6.597 -8.000 1.00 0.00 O ATOM 684 CB GLN A 46 -8.623 -8.611 -6.134 1.00 0.00 C ATOM 685 CG GLN A 46 -9.371 -7.636 -5.222 1.00 0.00 C ATOM 686 CD GLN A 46 -9.917 -8.391 -4.009 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.198 -9.089 -3.321 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.182 -8.275 -3.709 1.00 0.00 N ATOM 0 H GLN A 46 -6.997 -8.811 -8.779 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.597 -7.868 -7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.112 -9.585 -6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.607 -8.761 -5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.702 -6.839 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.188 -7.164 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.791 -7.691 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.562 -8.769 -2.901 1.00 0.00 H new ATOM 697 N GLU A 47 -8.540 -5.721 -7.016 1.00 0.00 N ATOM 698 CA GLU A 47 -7.939 -4.375 -6.943 1.00 0.00 C ATOM 699 C GLU A 47 -8.666 -3.522 -5.907 1.00 0.00 C ATOM 700 O GLU A 47 -9.810 -3.779 -5.589 1.00 0.00 O ATOM 701 CB GLU A 47 -8.090 -3.710 -8.319 1.00 0.00 C ATOM 702 CG GLU A 47 -9.570 -3.406 -8.568 1.00 0.00 C ATOM 703 CD GLU A 47 -9.886 -3.611 -10.053 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.697 -4.732 -10.497 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.298 -2.635 -10.659 1.00 0.00 O ATOM 0 H GLU A 47 -9.482 -5.797 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.890 -4.460 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.505 -2.791 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.705 -4.367 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.195 -4.058 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.797 -2.381 -8.274 1.00 0.00 H new ATOM 712 N PHE A 48 -7.988 -2.523 -5.395 1.00 0.00 N ATOM 713 CA PHE A 48 -8.632 -1.645 -4.378 1.00 0.00 C ATOM 714 C PHE A 48 -8.261 -0.191 -4.619 1.00 0.00 C ATOM 715 O PHE A 48 -7.362 0.098 -5.382 1.00 0.00 O ATOM 716 CB PHE A 48 -8.144 -2.063 -2.981 1.00 0.00 C ATOM 717 CG PHE A 48 -6.653 -2.409 -3.032 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.224 -3.587 -3.620 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.713 -1.556 -2.475 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.881 -3.906 -3.647 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.373 -1.879 -2.504 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.958 -3.052 -3.089 1.00 0.00 C ATOM 0 H PHE A 48 -7.027 -2.282 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.715 -1.749 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.315 -1.255 -2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.714 -2.923 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.944 -4.260 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.032 -0.632 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.555 -4.827 -4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.648 -1.209 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.908 -3.303 -3.110 1.00 0.00 H new ATOM 732 N THR A 49 -8.966 0.701 -3.960 1.00 0.00 N ATOM 733 CA THR A 49 -8.671 2.149 -4.138 1.00 0.00 C ATOM 734 C THR A 49 -8.545 2.863 -2.798 1.00 0.00 C ATOM 735 O THR A 49 -9.184 2.499 -1.830 1.00 0.00 O ATOM 736 CB THR A 49 -9.824 2.779 -4.924 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.971 2.588 -4.124 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.109 1.983 -6.208 1.00 0.00 C ATOM 0 H THR A 49 -9.725 0.486 -3.314 1.00 0.00 H new ATOM 0 HA THR A 49 -7.724 2.250 -4.668 1.00 0.00 H new ATOM 0 HB THR A 49 -9.585 3.815 -5.163 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.751 2.974 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.932 2.449 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.219 1.975 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.379 0.959 -5.949 1.00 0.00 H new ATOM 746 N VAL A 50 -7.713 3.875 -2.775 1.00 0.00 N ATOM 747 CA VAL A 50 -7.510 4.646 -1.521 1.00 0.00 C ATOM 748 C VAL A 50 -7.385 6.157 -1.846 1.00 0.00 C ATOM 749 O VAL A 50 -6.950 6.512 -2.925 1.00 0.00 O ATOM 750 CB VAL A 50 -6.190 4.160 -0.888 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.212 2.634 -0.779 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.024 4.581 -1.780 1.00 0.00 C ATOM 0 H VAL A 50 -7.167 4.197 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.352 4.498 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.075 4.597 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.280 2.288 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.051 2.326 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.321 2.200 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.087 4.241 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.143 4.136 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.009 5.667 -1.871 1.00 0.00 H new ATOM 762 N PRO A 51 -7.768 7.038 -0.907 1.00 0.00 N ATOM 763 CA PRO A 51 -7.675 8.485 -1.147 1.00 0.00 C ATOM 764 C PRO A 51 -6.223 8.944 -1.376 1.00 0.00 C ATOM 765 O PRO A 51 -5.933 10.122 -1.331 1.00 0.00 O ATOM 766 CB PRO A 51 -8.216 9.139 0.142 1.00 0.00 C ATOM 767 CG PRO A 51 -8.543 7.993 1.146 1.00 0.00 C ATOM 768 CD PRO A 51 -8.332 6.662 0.407 1.00 0.00 C ATOM 0 HA PRO A 51 -8.232 8.762 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.478 9.821 0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.108 9.728 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.896 8.053 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.570 8.076 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.653 6.009 0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.271 6.121 0.293 1.00 0.00 H new ATOM 776 N GLY A 52 -5.341 8.008 -1.617 1.00 0.00 N ATOM 777 CA GLY A 52 -3.912 8.383 -1.849 1.00 0.00 C ATOM 778 C GLY A 52 -3.257 8.866 -0.548 1.00 0.00 C ATOM 779 O GLY A 52 -2.211 9.484 -0.572 1.00 0.00 O ATOM 0 H GLY A 52 -5.545 7.010 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.365 7.525 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.855 9.168 -2.603 1.00 0.00 H new ATOM 783 N SER A 53 -3.882 8.572 0.560 1.00 0.00 N ATOM 784 CA SER A 53 -3.308 9.007 1.860 1.00 0.00 C ATOM 785 C SER A 53 -2.238 8.030 2.337 1.00 0.00 C ATOM 786 O SER A 53 -1.214 8.431 2.853 1.00 0.00 O ATOM 787 CB SER A 53 -4.437 9.050 2.901 1.00 0.00 C ATOM 788 OG SER A 53 -4.439 10.394 3.356 1.00 0.00 O ATOM 0 H SER A 53 -4.758 8.053 0.619 1.00 0.00 H new ATOM 0 HA SER A 53 -2.853 9.989 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.396 8.777 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.252 8.353 3.718 1.00 0.00 H new ATOM 0 HG SER A 53 -5.140 10.510 4.030 1.00 0.00 H new ATOM 794 N LYS A 54 -2.495 6.762 2.154 1.00 0.00 N ATOM 795 CA LYS A 54 -1.504 5.745 2.591 1.00 0.00 C ATOM 796 C LYS A 54 -0.436 5.541 1.521 1.00 0.00 C ATOM 797 O LYS A 54 -0.740 5.186 0.399 1.00 0.00 O ATOM 798 CB LYS A 54 -2.246 4.415 2.812 1.00 0.00 C ATOM 799 CG LYS A 54 -2.143 4.021 4.288 1.00 0.00 C ATOM 800 CD LYS A 54 -2.771 2.633 4.488 1.00 0.00 C ATOM 801 CE LYS A 54 -4.262 2.687 4.135 1.00 0.00 C ATOM 802 NZ LYS A 54 -5.009 1.617 4.858 1.00 0.00 N ATOM 0 H LYS A 54 -3.343 6.392 1.724 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.021 6.082 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.292 4.516 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.815 3.635 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.099 4.009 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.654 4.757 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.265 1.900 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.643 2.310 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.669 3.664 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.392 2.566 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.017 1.668 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.631 0.687 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.900 1.750 5.884 1.00 0.00 H new ATOM 816 N SER A 55 0.799 5.767 1.885 1.00 0.00 N ATOM 817 CA SER A 55 1.895 5.589 0.897 1.00 0.00 C ATOM 818 C SER A 55 2.316 4.126 0.803 1.00 0.00 C ATOM 819 O SER A 55 3.073 3.754 -0.075 1.00 0.00 O ATOM 820 CB SER A 55 3.101 6.429 1.350 1.00 0.00 C ATOM 821 OG SER A 55 2.549 7.705 1.644 1.00 0.00 O ATOM 0 H SER A 55 1.091 6.064 2.816 1.00 0.00 H new ATOM 0 HA SER A 55 1.542 5.909 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.583 5.993 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.857 6.493 0.568 1.00 0.00 H new ATOM 0 HG SER A 55 3.261 8.308 1.945 1.00 0.00 H new ATOM 827 N THR A 56 1.815 3.325 1.713 1.00 0.00 N ATOM 828 CA THR A 56 2.165 1.875 1.707 1.00 0.00 C ATOM 829 C THR A 56 0.909 1.030 1.560 1.00 0.00 C ATOM 830 O THR A 56 -0.191 1.532 1.673 1.00 0.00 O ATOM 831 CB THR A 56 2.840 1.532 3.039 1.00 0.00 C ATOM 832 OG1 THR A 56 2.232 2.374 3.996 1.00 0.00 O ATOM 833 CG2 THR A 56 4.316 1.958 3.031 1.00 0.00 C ATOM 0 H THR A 56 1.180 3.615 2.457 1.00 0.00 H new ATOM 0 HA THR A 56 2.833 1.668 0.871 1.00 0.00 H new ATOM 0 HB THR A 56 2.753 0.463 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.622 2.201 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.773 1.704 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.840 1.439 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.383 3.034 2.871 1.00 0.00 H new ATOM 841 N ALA A 57 1.084 -0.242 1.310 1.00 0.00 N ATOM 842 CA ALA A 57 -0.111 -1.104 1.160 1.00 0.00 C ATOM 843 C ALA A 57 0.230 -2.581 1.310 1.00 0.00 C ATOM 844 O ALA A 57 1.215 -3.059 0.770 1.00 0.00 O ATOM 845 CB ALA A 57 -0.695 -0.878 -0.240 1.00 0.00 C ATOM 0 H ALA A 57 1.985 -0.708 1.206 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.823 -0.841 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.577 -1.504 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.974 0.170 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.050 -1.139 -0.992 1.00 0.00 H new ATOM 851 N THR A 58 -0.603 -3.273 2.045 1.00 0.00 N ATOM 852 CA THR A 58 -0.379 -4.722 2.263 1.00 0.00 C ATOM 853 C THR A 58 -1.363 -5.528 1.427 1.00 0.00 C ATOM 854 O THR A 58 -2.530 -5.192 1.354 1.00 0.00 O ATOM 855 CB THR A 58 -0.626 -5.031 3.747 1.00 0.00 C ATOM 856 OG1 THR A 58 0.319 -4.250 4.451 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.250 -6.488 4.083 1.00 0.00 C ATOM 0 H THR A 58 -1.430 -2.889 2.503 1.00 0.00 H new ATOM 0 HA THR A 58 0.639 -4.984 1.976 1.00 0.00 H new ATOM 0 HB THR A 58 -1.672 -4.845 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.215 -4.399 5.414 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.436 -6.677 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.854 -7.168 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.806 -6.651 3.865 1.00 0.00 H new ATOM 865 N ILE A 59 -0.875 -6.571 0.806 1.00 0.00 N ATOM 866 CA ILE A 59 -1.762 -7.411 -0.029 1.00 0.00 C ATOM 867 C ILE A 59 -1.526 -8.884 0.262 1.00 0.00 C ATOM 868 O ILE A 59 -0.413 -9.297 0.521 1.00 0.00 O ATOM 869 CB ILE A 59 -1.435 -7.122 -1.492 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.836 -8.308 -2.361 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.080 -6.912 -1.617 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.966 -7.858 -3.823 1.00 0.00 C ATOM 0 H ILE A 59 0.099 -6.871 0.845 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.805 -7.183 0.189 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.979 -6.236 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.091 -9.100 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.782 -8.723 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.334 -6.704 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.383 -6.071 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.600 -7.812 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.253 -8.709 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.727 -7.082 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.010 -7.464 -4.169 1.00 0.00 H new ATOM 884 N SER A 60 -2.577 -9.653 0.214 1.00 0.00 N ATOM 885 CA SER A 60 -2.424 -11.098 0.488 1.00 0.00 C ATOM 886 C SER A 60 -3.425 -11.917 -0.314 1.00 0.00 C ATOM 887 O SER A 60 -4.590 -11.576 -0.396 1.00 0.00 O ATOM 888 CB SER A 60 -2.678 -11.327 1.983 1.00 0.00 C ATOM 889 OG SER A 60 -1.815 -12.400 2.323 1.00 0.00 O ATOM 0 H SER A 60 -3.524 -9.343 -0.001 1.00 0.00 H new ATOM 0 HA SER A 60 -1.420 -11.412 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.452 -10.434 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.721 -11.579 2.176 1.00 0.00 H new ATOM 0 HG SER A 60 -1.453 -12.800 1.505 1.00 0.00 H new ATOM 895 N GLY A 61 -2.953 -12.988 -0.892 1.00 0.00 N ATOM 896 CA GLY A 61 -3.862 -13.847 -1.694 1.00 0.00 C ATOM 897 C GLY A 61 -3.056 -14.839 -2.531 1.00 0.00 C ATOM 898 O GLY A 61 -3.451 -15.975 -2.704 1.00 0.00 O ATOM 0 H GLY A 61 -1.984 -13.302 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.541 -14.386 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.478 -13.227 -2.346 1.00 0.00 H new ATOM 902 N LEU A 62 -1.938 -14.392 -3.033 1.00 0.00 N ATOM 903 CA LEU A 62 -1.102 -15.295 -3.856 1.00 0.00 C ATOM 904 C LEU A 62 -0.604 -16.474 -3.028 1.00 0.00 C ATOM 905 O LEU A 62 -1.126 -16.758 -1.973 1.00 0.00 O ATOM 906 CB LEU A 62 0.112 -14.502 -4.373 1.00 0.00 C ATOM 907 CG LEU A 62 0.903 -13.953 -3.181 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.291 -14.604 -3.141 1.00 0.00 C ATOM 909 CD2 LEU A 62 1.065 -12.443 -3.345 1.00 0.00 C ATOM 0 H LEU A 62 -1.574 -13.448 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.699 -15.676 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.748 -15.145 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.219 -13.684 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 62 0.370 -14.174 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.852 -14.212 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.184 -15.684 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.825 -14.379 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.627 -12.044 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.602 -12.233 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.082 -11.973 -3.381 1.00 0.00 H new ATOM 921 N LYS A 63 0.393 -17.139 -3.533 1.00 0.00 N ATOM 922 CA LYS A 63 0.957 -18.310 -2.804 1.00 0.00 C ATOM 923 C LYS A 63 2.176 -18.903 -3.539 1.00 0.00 C ATOM 924 O LYS A 63 3.153 -19.270 -2.915 1.00 0.00 O ATOM 925 CB LYS A 63 -0.136 -19.431 -2.640 1.00 0.00 C ATOM 926 CG LYS A 63 -0.014 -20.103 -1.253 1.00 0.00 C ATOM 927 CD LYS A 63 -1.030 -19.477 -0.287 1.00 0.00 C ATOM 928 CE LYS A 63 -2.455 -19.904 -0.680 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.100 -20.647 0.441 1.00 0.00 N ATOM 0 H LYS A 63 0.845 -16.923 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 63 1.278 -17.956 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.130 -18.999 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.020 -20.178 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.192 -21.175 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.997 -19.978 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.815 -19.791 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.947 -18.390 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.049 -19.025 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.421 -20.532 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.061 -20.929 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.540 -21.495 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.148 -20.035 1.281 1.00 0.00 H new ATOM 943 N PRO A 64 2.100 -18.986 -4.870 1.00 0.00 N ATOM 944 CA PRO A 64 3.193 -19.531 -5.664 1.00 0.00 C ATOM 945 C PRO A 64 4.262 -18.482 -5.948 1.00 0.00 C ATOM 946 O PRO A 64 4.255 -17.407 -5.381 1.00 0.00 O ATOM 947 CB PRO A 64 2.522 -19.944 -6.994 1.00 0.00 C ATOM 948 CG PRO A 64 1.076 -19.348 -6.981 1.00 0.00 C ATOM 949 CD PRO A 64 0.926 -18.580 -5.660 1.00 0.00 C ATOM 0 HA PRO A 64 3.691 -20.351 -5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.088 -19.565 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.491 -21.029 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.923 -18.686 -7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.331 -20.140 -7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.911 -17.503 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.004 -18.838 -5.153 1.00 0.00 H new ATOM 957 N GLY A 65 5.157 -18.830 -6.828 1.00 0.00 N ATOM 958 CA GLY A 65 6.260 -17.896 -7.201 1.00 0.00 C ATOM 959 C GLY A 65 6.240 -17.688 -8.714 1.00 0.00 C ATOM 960 O GLY A 65 7.070 -18.218 -9.427 1.00 0.00 O ATOM 0 H GLY A 65 5.174 -19.729 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.137 -16.942 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.221 -18.304 -6.889 1.00 0.00 H new ATOM 964 N VAL A 66 5.282 -16.918 -9.162 1.00 0.00 N ATOM 965 CA VAL A 66 5.158 -16.644 -10.629 1.00 0.00 C ATOM 966 C VAL A 66 5.289 -15.152 -10.949 1.00 0.00 C ATOM 967 O VAL A 66 5.317 -14.316 -10.064 1.00 0.00 O ATOM 968 CB VAL A 66 3.754 -17.123 -11.063 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.692 -16.344 -10.274 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.553 -16.876 -12.569 1.00 0.00 C ATOM 0 H VAL A 66 4.579 -16.466 -8.577 1.00 0.00 H new ATOM 0 HA VAL A 66 5.957 -17.164 -11.158 1.00 0.00 H new ATOM 0 HB VAL A 66 3.660 -18.190 -10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.699 -16.677 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.827 -16.523 -9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.795 -15.278 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.561 -17.217 -12.864 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.648 -15.811 -12.779 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.308 -17.425 -13.132 1.00 0.00 H new ATOM 980 N ASP A 67 5.379 -14.858 -12.224 1.00 0.00 N ATOM 981 CA ASP A 67 5.507 -13.448 -12.653 1.00 0.00 C ATOM 982 C ASP A 67 4.250 -12.668 -12.297 1.00 0.00 C ATOM 983 O ASP A 67 3.266 -12.706 -13.011 1.00 0.00 O ATOM 984 CB ASP A 67 5.696 -13.425 -14.183 1.00 0.00 C ATOM 985 CG ASP A 67 7.083 -12.873 -14.516 1.00 0.00 C ATOM 986 OD1 ASP A 67 8.019 -13.349 -13.894 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.129 -12.007 -15.374 1.00 0.00 O ATOM 0 H ASP A 67 5.368 -15.542 -12.981 1.00 0.00 H new ATOM 0 HA ASP A 67 6.358 -12.990 -12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.586 -14.430 -14.589 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.926 -12.808 -14.646 1.00 0.00 H new ATOM 992 N TYR A 68 4.296 -11.977 -11.196 1.00 0.00 N ATOM 993 CA TYR A 68 3.114 -11.196 -10.787 1.00 0.00 C ATOM 994 C TYR A 68 3.170 -9.797 -11.370 1.00 0.00 C ATOM 995 O TYR A 68 4.176 -9.118 -11.262 1.00 0.00 O ATOM 996 CB TYR A 68 3.099 -11.103 -9.256 1.00 0.00 C ATOM 997 CG TYR A 68 1.961 -11.969 -8.721 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.680 -11.467 -8.636 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.197 -13.272 -8.328 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.352 -12.254 -8.167 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.166 -14.059 -7.859 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.116 -13.557 -7.774 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.149 -14.345 -7.309 1.00 0.00 O ATOM 0 H TYR A 68 5.098 -11.923 -10.569 1.00 0.00 H new ATOM 0 HA TYR A 68 2.213 -11.689 -11.153 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.052 -11.439 -8.848 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.965 -10.068 -8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.482 -10.449 -8.939 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.196 -13.678 -8.388 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.351 -11.848 -8.107 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.364 -15.076 -7.556 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.805 -15.233 -7.078 1.00 0.00 H new ATOM 1013 N THR A 69 2.084 -9.392 -11.983 1.00 0.00 N ATOM 1014 CA THR A 69 2.039 -8.039 -12.588 1.00 0.00 C ATOM 1015 C THR A 69 1.136 -7.120 -11.786 1.00 0.00 C ATOM 1016 O THR A 69 0.177 -7.561 -11.182 1.00 0.00 O ATOM 1017 CB THR A 69 1.471 -8.168 -14.004 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.490 -9.552 -14.288 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.425 -7.548 -15.034 1.00 0.00 C ATOM 0 H THR A 69 1.232 -9.944 -12.087 1.00 0.00 H new ATOM 0 HA THR A 69 3.045 -7.619 -12.601 1.00 0.00 H new ATOM 0 HB THR A 69 0.493 -7.690 -14.055 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.134 -9.706 -15.188 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.000 -7.652 -16.032 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.567 -6.491 -14.808 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.386 -8.060 -14.994 1.00 0.00 H new ATOM 1027 N ILE A 70 1.461 -5.856 -11.790 1.00 0.00 N ATOM 1028 CA ILE A 70 0.636 -4.884 -11.034 1.00 0.00 C ATOM 1029 C ILE A 70 0.486 -3.588 -11.814 1.00 0.00 C ATOM 1030 O ILE A 70 1.253 -3.307 -12.718 1.00 0.00 O ATOM 1031 CB ILE A 70 1.333 -4.584 -9.709 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.702 -3.982 -9.975 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.515 -5.903 -8.940 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.693 -2.512 -9.554 1.00 0.00 C ATOM 0 H ILE A 70 2.261 -5.459 -12.284 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.353 -5.310 -10.866 1.00 0.00 H new ATOM 0 HB ILE A 70 0.732 -3.882 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.466 -4.527 -9.421 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.952 -4.069 -11.032 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.012 -5.705 -7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.540 -6.352 -8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.122 -6.588 -9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.673 -2.074 -9.742 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.938 -1.974 -10.128 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.461 -2.439 -8.491 1.00 0.00 H new ATOM 1046 N THR A 71 -0.503 -2.820 -11.451 1.00 0.00 N ATOM 1047 CA THR A 71 -0.727 -1.539 -12.155 1.00 0.00 C ATOM 1048 C THR A 71 -1.340 -0.514 -11.220 1.00 0.00 C ATOM 1049 O THR A 71 -2.388 -0.747 -10.649 1.00 0.00 O ATOM 1050 CB THR A 71 -1.696 -1.787 -13.309 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.180 -2.904 -14.001 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.645 -0.640 -14.328 1.00 0.00 C ATOM 0 H THR A 71 -1.161 -3.028 -10.699 1.00 0.00 H new ATOM 0 HA THR A 71 0.228 -1.159 -12.518 1.00 0.00 H new ATOM 0 HB THR A 71 -2.707 -1.903 -12.919 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.763 -3.117 -14.759 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.345 -0.842 -15.139 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.918 0.295 -13.838 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.636 -0.557 -14.732 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.675 0.611 -11.086 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.202 1.674 -10.189 1.00 0.00 C ATOM 1062 C VAL A 72 -1.692 2.865 -11.008 1.00 0.00 C ATOM 1063 O VAL A 72 -1.053 3.273 -11.966 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.067 2.128 -9.238 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.394 0.930 -8.401 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.111 2.638 -10.057 1.00 0.00 C ATOM 0 H VAL A 72 0.202 0.832 -11.557 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.040 1.281 -9.614 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.434 2.922 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.193 1.242 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.444 0.550 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.761 0.144 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.909 2.957 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.477 1.840 -10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.791 3.482 -10.668 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.832 3.382 -10.623 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.406 4.547 -11.347 1.00 0.00 C ATOM 1078 C TYR A 73 -3.347 5.791 -10.475 1.00 0.00 C ATOM 1079 O TYR A 73 -3.971 5.845 -9.431 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.885 4.245 -11.655 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.041 3.798 -13.112 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.429 2.645 -13.562 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.815 4.531 -13.993 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.587 2.232 -14.871 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.971 4.117 -15.300 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.361 2.966 -15.750 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.522 2.552 -17.057 1.00 0.00 O ATOM 0 H TYR A 73 -3.387 3.044 -9.837 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.838 4.718 -12.261 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.252 3.466 -10.987 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.491 5.133 -11.472 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.822 2.061 -12.886 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.301 5.434 -13.655 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.102 1.329 -15.210 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.577 4.701 -15.977 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.098 3.186 -17.532 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.593 6.767 -10.914 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.480 8.019 -10.122 1.00 0.00 C ATOM 1099 C ALA A 74 -3.411 9.085 -10.685 1.00 0.00 C ATOM 1100 O ALA A 74 -3.074 9.763 -11.636 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.033 8.526 -10.224 1.00 0.00 C ATOM 0 H ALA A 74 -2.056 6.748 -11.781 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.752 7.819 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.928 9.446 -9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.354 7.771 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.789 8.721 -11.268 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.568 9.220 -10.082 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.534 10.242 -10.574 1.00 0.00 C ATOM 1109 C VAL A 75 -5.487 11.509 -9.726 1.00 0.00 C ATOM 1110 O VAL A 75 -5.795 11.483 -8.549 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.946 9.645 -10.496 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.971 10.742 -10.788 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.078 8.542 -11.549 1.00 0.00 C ATOM 0 H VAL A 75 -4.879 8.672 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.271 10.509 -11.598 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.121 9.233 -9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.976 10.324 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.870 11.540 -10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.798 11.145 -11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.078 8.111 -11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.911 8.963 -12.540 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.339 7.765 -11.356 1.00 0.00 H new ATOM 1123 N THR A 76 -5.104 12.600 -10.356 1.00 0.00 N ATOM 1124 CA THR A 76 -5.022 13.896 -9.626 1.00 0.00 C ATOM 1125 C THR A 76 -6.010 14.905 -10.206 1.00 0.00 C ATOM 1126 O THR A 76 -7.196 14.646 -10.275 1.00 0.00 O ATOM 1127 CB THR A 76 -3.602 14.452 -9.791 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.421 14.608 -11.183 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.557 13.405 -9.379 1.00 0.00 C ATOM 0 H THR A 76 -4.847 12.641 -11.342 1.00 0.00 H new ATOM 0 HA THR A 76 -5.262 13.731 -8.576 1.00 0.00 H new ATOM 0 HB THR A 76 -3.488 15.360 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.525 14.965 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.557 13.820 -9.504 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.708 13.131 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.663 12.519 -10.005 1.00 0.00 H new ATOM 1137 N GLY A 77 -5.504 16.037 -10.616 1.00 0.00 N ATOM 1138 CA GLY A 77 -6.402 17.077 -11.196 1.00 0.00 C ATOM 1139 C GLY A 77 -7.396 17.576 -10.145 1.00 0.00 C ATOM 1140 O GLY A 77 -7.882 16.812 -9.335 1.00 0.00 O ATOM 0 H GLY A 77 -4.516 16.286 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.808 17.912 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.942 16.665 -12.049 1.00 0.00 H new ATOM 1144 N ARG A 78 -7.676 18.851 -10.180 1.00 0.00 N ATOM 1145 CA ARG A 78 -8.630 19.415 -9.196 1.00 0.00 C ATOM 1146 C ARG A 78 -10.043 18.957 -9.492 1.00 0.00 C ATOM 1147 O ARG A 78 -10.583 18.108 -8.811 1.00 0.00 O ATOM 1148 CB ARG A 78 -8.578 20.948 -9.288 1.00 0.00 C ATOM 1149 CG ARG A 78 -7.222 21.438 -8.772 1.00 0.00 C ATOM 1150 CD ARG A 78 -7.316 21.675 -7.262 1.00 0.00 C ATOM 1151 NE ARG A 78 -7.814 23.058 -7.018 1.00 0.00 N ATOM 1152 CZ ARG A 78 -7.486 23.670 -5.913 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -6.222 23.800 -5.613 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -8.433 24.132 -5.143 1.00 0.00 N ATOM 0 H ARG A 78 -7.286 19.519 -10.845 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.353 19.074 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.725 21.267 -10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.384 21.387 -8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.448 20.701 -8.990 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.937 22.359 -9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.988 20.947 -6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.339 21.539 -6.798 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.405 23.522 -7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.508 23.426 -6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.948 24.276 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.410 24.012 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.196 24.613 -4.275 1.00 0.00 H new ATOM 1168 N GLY A 79 -10.616 19.527 -10.500 1.00 0.00 N ATOM 1169 CA GLY A 79 -12.007 19.142 -10.870 1.00 0.00 C ATOM 1170 C GLY A 79 -12.571 20.111 -11.903 1.00 0.00 C ATOM 1171 O GLY A 79 -13.771 20.198 -12.087 1.00 0.00 O ATOM 0 H GLY A 79 -10.189 20.243 -11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.016 18.128 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.639 19.140 -9.982 1.00 0.00 H new ATOM 1175 N ASP A 80 -11.693 20.822 -12.553 1.00 0.00 N ATOM 1176 CA ASP A 80 -12.144 21.795 -13.581 1.00 0.00 C ATOM 1177 C ASP A 80 -11.256 21.728 -14.819 1.00 0.00 C ATOM 1178 O ASP A 80 -11.740 21.564 -15.922 1.00 0.00 O ATOM 1179 CB ASP A 80 -12.051 23.206 -12.982 1.00 0.00 C ATOM 1180 CG ASP A 80 -10.627 23.448 -12.477 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -10.199 22.647 -11.661 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -10.049 24.420 -12.932 1.00 0.00 O ATOM 0 H ASP A 80 -10.684 20.770 -12.416 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.167 21.557 -13.873 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.314 23.951 -13.733 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.763 23.314 -12.163 1.00 0.00 H new ATOM 1187 N SER A 81 -9.974 21.853 -14.619 1.00 0.00 N ATOM 1188 CA SER A 81 -9.053 21.798 -15.777 1.00 0.00 C ATOM 1189 C SER A 81 -8.594 20.333 -16.036 1.00 0.00 C ATOM 1190 O SER A 81 -8.230 19.641 -15.105 1.00 0.00 O ATOM 1191 CB SER A 81 -7.815 22.646 -15.436 1.00 0.00 C ATOM 1192 OG SER A 81 -7.465 23.260 -16.670 1.00 0.00 O ATOM 0 H SER A 81 -9.531 21.990 -13.710 1.00 0.00 H new ATOM 0 HA SER A 81 -9.560 22.173 -16.666 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.039 23.389 -14.671 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.002 22.029 -15.053 1.00 0.00 H new ATOM 0 HG SER A 81 -6.676 23.827 -16.541 1.00 0.00 H new ATOM 1198 N PRO A 82 -8.610 19.871 -17.306 1.00 0.00 N ATOM 1199 CA PRO A 82 -8.188 18.499 -17.611 1.00 0.00 C ATOM 1200 C PRO A 82 -6.713 18.284 -17.288 1.00 0.00 C ATOM 1201 O PRO A 82 -5.849 18.708 -18.030 1.00 0.00 O ATOM 1202 CB PRO A 82 -8.393 18.345 -19.132 1.00 0.00 C ATOM 1203 CG PRO A 82 -8.804 19.741 -19.689 1.00 0.00 C ATOM 1204 CD PRO A 82 -9.042 20.660 -18.483 1.00 0.00 C ATOM 0 HA PRO A 82 -8.756 17.778 -17.023 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.478 17.995 -19.609 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.165 17.605 -19.343 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.021 20.144 -20.331 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.706 19.662 -20.296 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.469 21.583 -18.571 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -10.092 20.943 -18.404 1.00 0.00 H new ATOM 1212 N ALA A 83 -6.454 17.633 -16.179 1.00 0.00 N ATOM 1213 CA ALA A 83 -5.039 17.377 -15.785 1.00 0.00 C ATOM 1214 C ALA A 83 -4.832 15.911 -15.411 1.00 0.00 C ATOM 1215 O ALA A 83 -4.641 15.585 -14.258 1.00 0.00 O ATOM 1216 CB ALA A 83 -4.714 18.251 -14.566 1.00 0.00 C ATOM 0 H ALA A 83 -7.158 17.271 -15.536 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.387 17.614 -16.625 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.682 18.080 -14.260 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.846 19.301 -14.826 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.383 17.994 -13.745 1.00 0.00 H new ATOM 1222 N SER A 84 -4.877 15.053 -16.397 1.00 0.00 N ATOM 1223 CA SER A 84 -4.685 13.607 -16.114 1.00 0.00 C ATOM 1224 C SER A 84 -3.217 13.217 -16.264 1.00 0.00 C ATOM 1225 O SER A 84 -2.555 13.625 -17.198 1.00 0.00 O ATOM 1226 CB SER A 84 -5.523 12.801 -17.122 1.00 0.00 C ATOM 1227 OG SER A 84 -4.894 11.527 -17.159 1.00 0.00 O ATOM 0 H SER A 84 -5.037 15.291 -17.376 1.00 0.00 H new ATOM 0 HA SER A 84 -4.997 13.397 -15.091 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.562 12.723 -16.803 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.526 13.272 -18.105 1.00 0.00 H new ATOM 0 HG SER A 84 -5.373 10.944 -17.785 1.00 0.00 H new ATOM 1233 N SER A 85 -2.735 12.426 -15.340 1.00 0.00 N ATOM 1234 CA SER A 85 -1.312 12.001 -15.412 1.00 0.00 C ATOM 1235 C SER A 85 -1.128 10.826 -16.369 1.00 0.00 C ATOM 1236 O SER A 85 -1.651 10.825 -17.466 1.00 0.00 O ATOM 1237 CB SER A 85 -0.867 11.563 -14.009 1.00 0.00 C ATOM 1238 OG SER A 85 -1.262 12.636 -13.168 1.00 0.00 O ATOM 0 H SER A 85 -3.262 12.061 -14.547 1.00 0.00 H new ATOM 0 HA SER A 85 -0.717 12.838 -15.777 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.344 10.629 -13.713 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.210 11.399 -13.966 1.00 0.00 H new ATOM 0 HG SER A 85 -1.013 12.434 -12.242 1.00 0.00 H new ATOM 1244 N LYS A 86 -0.383 9.846 -15.928 1.00 0.00 N ATOM 1245 CA LYS A 86 -0.146 8.663 -16.786 1.00 0.00 C ATOM 1246 C LYS A 86 0.052 7.391 -15.910 1.00 0.00 C ATOM 1247 O LYS A 86 1.057 7.275 -15.238 1.00 0.00 O ATOM 1248 CB LYS A 86 1.157 8.910 -17.571 1.00 0.00 C ATOM 1249 CG LYS A 86 0.814 9.509 -18.941 1.00 0.00 C ATOM 1250 CD LYS A 86 2.105 9.723 -19.742 1.00 0.00 C ATOM 1251 CE LYS A 86 2.673 11.107 -19.425 1.00 0.00 C ATOM 1252 NZ LYS A 86 4.154 11.110 -19.586 1.00 0.00 N ATOM 0 H LYS A 86 0.067 9.820 -15.013 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.998 8.514 -17.449 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.807 9.587 -17.017 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.703 7.975 -17.696 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.143 8.843 -19.483 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.290 10.456 -18.815 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.834 8.952 -19.492 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.903 9.636 -20.810 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.227 11.850 -20.086 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.411 11.390 -18.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.525 12.057 -19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.575 10.415 -18.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.397 10.861 -20.566 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.907 6.443 -15.922 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.763 5.232 -15.113 1.00 0.00 C ATOM 1268 C PRO A 87 0.485 4.451 -15.506 1.00 0.00 C ATOM 1269 O PRO A 87 1.124 4.759 -16.493 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.020 4.392 -15.419 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.932 5.240 -16.355 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.150 6.508 -16.725 1.00 0.00 C ATOM 0 HA PRO A 87 -0.664 5.473 -14.055 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.746 3.452 -15.899 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.545 4.138 -14.498 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.195 4.676 -17.250 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.865 5.496 -15.854 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.929 6.538 -17.792 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.723 7.406 -16.493 1.00 0.00 H new ATOM 1280 N ILE A 88 0.819 3.452 -14.726 1.00 0.00 N ATOM 1281 CA ILE A 88 2.026 2.655 -15.061 1.00 0.00 C ATOM 1282 C ILE A 88 1.940 1.259 -14.464 1.00 0.00 C ATOM 1283 O ILE A 88 1.245 1.037 -13.493 1.00 0.00 O ATOM 1284 CB ILE A 88 3.260 3.373 -14.491 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.514 2.931 -15.242 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.417 2.995 -13.004 1.00 0.00 C ATOM 1287 CD1 ILE A 88 4.886 4.004 -16.272 1.00 0.00 C ATOM 0 H ILE A 88 0.315 3.162 -13.888 1.00 0.00 H new ATOM 0 HA ILE A 88 2.099 2.561 -16.144 1.00 0.00 H new ATOM 0 HB ILE A 88 3.131 4.450 -14.600 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.337 2.779 -14.543 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.338 1.977 -15.739 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.290 3.500 -12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.527 3.301 -12.455 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.545 1.916 -12.914 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.781 3.695 -16.812 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.064 4.133 -16.976 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.078 4.948 -15.761 1.00 0.00 H new ATOM 1299 N SER A 89 2.655 0.341 -15.062 1.00 0.00 N ATOM 1300 CA SER A 89 2.636 -1.055 -14.552 1.00 0.00 C ATOM 1301 C SER A 89 4.028 -1.676 -14.611 1.00 0.00 C ATOM 1302 O SER A 89 4.865 -1.255 -15.384 1.00 0.00 O ATOM 1303 CB SER A 89 1.701 -1.880 -15.444 1.00 0.00 C ATOM 1304 OG SER A 89 1.121 -0.924 -16.319 1.00 0.00 O ATOM 0 H SER A 89 3.247 0.500 -15.877 1.00 0.00 H new ATOM 0 HA SER A 89 2.297 -1.049 -13.516 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.249 -2.644 -15.996 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.941 -2.394 -14.856 1.00 0.00 H new ATOM 0 HG SER A 89 0.503 -1.374 -16.932 1.00 0.00 H new ATOM 1310 N ILE A 90 4.251 -2.670 -13.789 1.00 0.00 N ATOM 1311 CA ILE A 90 5.587 -3.332 -13.786 1.00 0.00 C ATOM 1312 C ILE A 90 5.456 -4.827 -13.500 1.00 0.00 C ATOM 1313 O ILE A 90 4.525 -5.256 -12.841 1.00 0.00 O ATOM 1314 CB ILE A 90 6.462 -2.711 -12.682 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.905 -1.361 -12.234 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.875 -2.491 -13.247 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.820 -0.781 -11.153 1.00 0.00 C ATOM 0 H ILE A 90 3.573 -3.047 -13.127 1.00 0.00 H new ATOM 0 HA ILE A 90 6.037 -3.189 -14.768 1.00 0.00 H new ATOM 0 HB ILE A 90 6.477 -3.386 -11.826 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.844 -0.679 -13.082 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.893 -1.480 -11.847 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.510 -2.051 -12.478 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.294 -3.447 -13.561 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.824 -1.819 -14.104 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.431 0.183 -10.826 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.858 -1.464 -10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.823 -0.649 -11.558 1.00 0.00 H new ATOM 1329 N ASN A 91 6.396 -5.590 -14.009 1.00 0.00 N ATOM 1330 CA ASN A 91 6.369 -7.056 -13.792 1.00 0.00 C ATOM 1331 C ASN A 91 7.500 -7.487 -12.854 1.00 0.00 C ATOM 1332 O ASN A 91 8.564 -6.902 -12.857 1.00 0.00 O ATOM 1333 CB ASN A 91 6.575 -7.732 -15.151 1.00 0.00 C ATOM 1334 CG ASN A 91 7.203 -6.733 -16.127 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.576 -5.781 -16.547 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.438 -6.912 -16.511 1.00 0.00 N ATOM 0 H ASN A 91 7.180 -5.250 -14.566 1.00 0.00 H new ATOM 0 HA ASN A 91 5.418 -7.340 -13.343 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.219 -8.604 -15.042 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.621 -8.087 -15.541 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.871 -6.255 -17.160 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.970 -7.709 -16.162 1.00 0.00 H new ATOM 1343 N TYR A 92 7.247 -8.504 -12.069 1.00 0.00 N ATOM 1344 CA TYR A 92 8.300 -8.979 -11.129 1.00 0.00 C ATOM 1345 C TYR A 92 8.037 -10.421 -10.710 1.00 0.00 C ATOM 1346 O TYR A 92 6.901 -10.831 -10.583 1.00 0.00 O ATOM 1347 CB TYR A 92 8.270 -8.086 -9.878 1.00 0.00 C ATOM 1348 CG TYR A 92 9.434 -8.456 -8.954 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.725 -8.095 -9.273 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.204 -9.151 -7.783 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.772 -8.422 -8.436 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.253 -9.479 -6.946 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.543 -9.116 -7.267 1.00 0.00 C ATOM 1354 OH TYR A 92 12.589 -9.442 -6.430 1.00 0.00 O ATOM 0 H TYR A 92 6.367 -9.019 -12.040 1.00 0.00 H new ATOM 0 HA TYR A 92 9.270 -8.929 -11.623 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.340 -7.037 -10.166 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.323 -8.210 -9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.919 -7.552 -10.186 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.197 -9.440 -7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.779 -8.132 -8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.061 -10.024 -6.034 1.00 0.00 H new ATOM 0 HH TYR A 92 12.246 -9.929 -5.652 1.00 0.00 H new ATOM 1364 N ARG A 93 9.091 -11.166 -10.506 1.00 0.00 N ATOM 1365 CA ARG A 93 8.905 -12.579 -10.096 1.00 0.00 C ATOM 1366 C ARG A 93 8.701 -12.684 -8.597 1.00 0.00 C ATOM 1367 O ARG A 93 9.648 -12.665 -7.834 1.00 0.00 O ATOM 1368 CB ARG A 93 10.151 -13.381 -10.504 1.00 0.00 C ATOM 1369 CG ARG A 93 11.385 -12.814 -9.794 1.00 0.00 C ATOM 1370 CD ARG A 93 12.573 -12.815 -10.766 1.00 0.00 C ATOM 1371 NE ARG A 93 13.841 -12.795 -9.988 1.00 0.00 N ATOM 1372 CZ ARG A 93 14.652 -13.818 -10.060 1.00 0.00 C ATOM 1373 NH1 ARG A 93 15.534 -13.856 -11.021 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.549 -14.767 -9.170 1.00 0.00 N ATOM 0 H ARG A 93 10.058 -10.858 -10.605 1.00 0.00 H new ATOM 0 HA ARG A 93 8.019 -12.979 -10.589 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.020 -14.431 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.288 -13.335 -11.584 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.185 -11.800 -9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.620 -13.412 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.537 -13.699 -11.403 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.522 -11.947 -11.423 1.00 0.00 H new ATOM 0 HE ARG A 93 14.075 -11.992 -9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.582 -13.096 -11.699 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.175 -14.646 -11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.845 -14.703 -8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.173 -15.573 -9.210 1.00 0.00 H new ATOM 1388 N THR A 94 7.452 -12.794 -8.207 1.00 0.00 N ATOM 1389 CA THR A 94 7.127 -12.904 -6.758 1.00 0.00 C ATOM 1390 C THR A 94 6.401 -14.215 -6.478 1.00 0.00 C ATOM 1391 O THR A 94 5.852 -14.748 -7.435 1.00 0.00 O ATOM 1392 CB THR A 94 6.194 -11.735 -6.383 1.00 0.00 C ATOM 1393 OG1 THR A 94 6.129 -10.929 -7.541 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.830 -10.820 -5.311 1.00 0.00 C ATOM 1395 OXT THR A 94 6.430 -14.615 -5.326 1.00 0.00 O ATOM 0 H THR A 94 6.647 -12.812 -8.834 1.00 0.00 H new ATOM 0 HA THR A 94 8.048 -12.874 -6.175 1.00 0.00 H new ATOM 0 HB THR A 94 5.245 -12.130 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.545 -10.160 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.144 -10.008 -5.072 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.032 -11.400 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.763 -10.406 -5.693 1.00 0.00 H new TER 1403 THR A 94