USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 822 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 64 TYR OH : rot 180:sc= -0.24 USER MOD Set 1.2: A 72 MET CE :methyl 132:sc= -3.96! (180deg=-4.43!) USER MOD Set 2.1: A 49 TYR OH : rot -125:sc= 1.3 USER MOD Set 2.2: A 55 TYR OH : rot -153:sc= 1.37 USER MOD Set 2.3: A 102 CYS SG : rot 13:sc= 0.872 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 172:sc= -0.0682 (180deg=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -171:sc= -2.79 (180deg=-2.99) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.0929) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 31 TYR OH : rot 0:sc= -0.71 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 70:sc= 0.502 USER MOD Single : A 41 MET CE :methyl -172:sc= -0.461 (180deg=-0.634) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0191) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -170:sc= -0.0304 USER MOD Single : A 56 LYS NZ :NH3+ -102:sc= -2.56 (180deg=-3.9!) USER MOD Single : A 58 SER OG : rot 160:sc= 1.72 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 1:sc= 1.18 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= -2.86! (180deg=-2.9!) USER MOD Single : A 81 MET CE :methyl 164:sc= -0.174 (180deg=-0.774) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 85 SER OG : rot -88:sc= 1.22 USER MOD Single : A 86 CYS SG : rot -50:sc= -4.21! USER MOD Single : A 87 LYS NZ :NH3+ 150:sc= 1.1 (180deg=-0.899) USER MOD Single : A 92 MET CE :methyl -138:sc= -1.08 (180deg=-1.68) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.043 (180deg=-0.283) USER MOD Single : A 106 SER OG : rot -53:sc= 0.167 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 23.568 -9.778 6.110 1.00 0.00 N ATOM 2 CA HIS A 1 24.529 -8.680 5.841 1.00 0.00 C ATOM 3 C HIS A 1 24.024 -7.774 4.727 1.00 0.00 C ATOM 4 O HIS A 1 24.784 -6.988 4.157 1.00 0.00 O ATOM 5 CB HIS A 1 25.905 -9.237 5.457 1.00 0.00 C ATOM 6 CG HIS A 1 26.643 -9.873 6.592 1.00 0.00 C ATOM 7 ND1 HIS A 1 27.178 -9.153 7.637 1.00 0.00 N ATOM 8 CD2 HIS A 1 26.932 -11.170 6.847 1.00 0.00 C ATOM 9 CE1 HIS A 1 27.762 -9.979 8.484 1.00 0.00 C ATOM 10 NE2 HIS A 1 27.627 -11.208 8.028 1.00 0.00 N ATOM 0 H1 HIS A 1 23.993 -10.456 6.774 1.00 0.00 H new ATOM 0 H2 HIS A 1 22.699 -9.385 6.525 1.00 0.00 H new ATOM 0 H3 HIS A 1 23.338 -10.264 5.220 1.00 0.00 H new ATOM 0 HA HIS A 1 24.623 -8.098 6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 1 25.779 -9.972 4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 1 26.512 -8.428 5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 1 26.665 -12.018 6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 1 28.265 -9.696 9.397 1.00 0.00 H new ATOM 0 HE2 HIS A 1 27.982 -12.051 8.480 1.00 0.00 H new ATOM 21 N GLU A 2 22.743 -7.874 4.418 1.00 0.00 N ATOM 22 CA GLU A 2 22.164 -7.085 3.353 1.00 0.00 C ATOM 23 C GLU A 2 21.362 -5.925 3.924 1.00 0.00 C ATOM 24 O GLU A 2 20.231 -6.098 4.380 1.00 0.00 O ATOM 25 CB GLU A 2 21.287 -7.962 2.465 1.00 0.00 C ATOM 26 CG GLU A 2 20.709 -7.233 1.268 1.00 0.00 C ATOM 27 CD GLU A 2 20.132 -8.184 0.249 1.00 0.00 C ATOM 28 OE1 GLU A 2 18.944 -8.547 0.369 1.00 0.00 O ATOM 29 OE2 GLU A 2 20.872 -8.588 -0.672 1.00 0.00 O ATOM 0 H GLU A 2 22.087 -8.495 4.891 1.00 0.00 H new ATOM 0 HA GLU A 2 22.970 -6.674 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 2 21.875 -8.810 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 20.470 -8.366 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 2 19.932 -6.546 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 2 21.488 -6.630 0.801 1.00 0.00 H new ATOM 36 N ALA A 3 21.974 -4.754 3.927 1.00 0.00 N ATOM 37 CA ALA A 3 21.307 -3.543 4.365 1.00 0.00 C ATOM 38 C ALA A 3 21.127 -2.588 3.192 1.00 0.00 C ATOM 39 O ALA A 3 20.539 -1.518 3.327 1.00 0.00 O ATOM 40 CB ALA A 3 22.095 -2.878 5.483 1.00 0.00 C ATOM 0 H ALA A 3 22.940 -4.617 3.628 1.00 0.00 H new ATOM 0 HA ALA A 3 20.322 -3.806 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 3 21.581 -1.971 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 3 22.177 -3.563 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 3 23.092 -2.623 5.124 1.00 0.00 H new ATOM 46 N ASP A 4 21.636 -2.988 2.037 1.00 0.00 N ATOM 47 CA ASP A 4 21.529 -2.172 0.836 1.00 0.00 C ATOM 48 C ASP A 4 20.306 -2.587 0.036 1.00 0.00 C ATOM 49 O ASP A 4 20.000 -3.777 -0.052 1.00 0.00 O ATOM 50 CB ASP A 4 22.791 -2.304 -0.015 1.00 0.00 C ATOM 51 CG ASP A 4 22.756 -1.412 -1.238 1.00 0.00 C ATOM 52 OD1 ASP A 4 22.584 -0.185 -1.077 1.00 0.00 O ATOM 53 OD2 ASP A 4 22.925 -1.930 -2.361 1.00 0.00 O ATOM 0 H ASP A 4 22.127 -3.872 1.905 1.00 0.00 H new ATOM 0 HA ASP A 4 21.422 -1.128 1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 4 23.662 -2.053 0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 4 22.908 -3.341 -0.328 1.00 0.00 H new ATOM 58 N VAL A 5 19.622 -1.606 -0.553 1.00 0.00 N ATOM 59 CA VAL A 5 18.342 -1.839 -1.218 1.00 0.00 C ATOM 60 C VAL A 5 17.330 -2.349 -0.199 1.00 0.00 C ATOM 61 O VAL A 5 17.164 -3.555 -0.004 1.00 0.00 O ATOM 62 CB VAL A 5 18.463 -2.830 -2.400 1.00 0.00 C ATOM 63 CG1 VAL A 5 17.112 -3.057 -3.063 1.00 0.00 C ATOM 64 CG2 VAL A 5 19.471 -2.321 -3.417 1.00 0.00 C ATOM 0 H VAL A 5 19.937 -0.636 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 5 18.005 -0.891 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 5 18.813 -3.784 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 5 17.226 -3.757 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.413 -3.467 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 5 16.728 -2.109 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.545 -3.029 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 5 19.146 -1.353 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 5 20.446 -2.215 -2.941 1.00 0.00 H new ATOM 74 N GLY A 6 16.674 -1.416 0.468 1.00 0.00 N ATOM 75 CA GLY A 6 15.802 -1.767 1.566 1.00 0.00 C ATOM 76 C GLY A 6 16.442 -1.431 2.893 1.00 0.00 C ATOM 77 O GLY A 6 17.658 -1.547 3.045 1.00 0.00 O ATOM 0 H GLY A 6 16.730 -0.417 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.856 -1.234 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.573 -2.832 1.528 1.00 0.00 H new ATOM 81 N GLY A 7 15.641 -0.992 3.840 1.00 0.00 N ATOM 82 CA GLY A 7 16.156 -0.631 5.142 1.00 0.00 C ATOM 83 C GLY A 7 15.055 -0.119 6.030 1.00 0.00 C ATOM 84 O GLY A 7 15.230 0.041 7.239 1.00 0.00 O ATOM 0 H GLY A 7 14.633 -0.877 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.628 -1.498 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.927 0.132 5.034 1.00 0.00 H new ATOM 88 N ILE A 8 13.912 0.132 5.414 1.00 0.00 N ATOM 89 CA ILE A 8 12.742 0.595 6.119 1.00 0.00 C ATOM 90 C ILE A 8 11.696 -0.503 6.077 1.00 0.00 C ATOM 91 O ILE A 8 11.037 -0.716 5.056 1.00 0.00 O ATOM 92 CB ILE A 8 12.160 1.882 5.479 1.00 0.00 C ATOM 93 CG1 ILE A 8 13.076 3.089 5.680 1.00 0.00 C ATOM 94 CG2 ILE A 8 10.793 2.194 6.055 1.00 0.00 C ATOM 95 CD1 ILE A 8 14.397 3.019 4.957 1.00 0.00 C ATOM 0 H ILE A 8 13.775 0.018 4.410 1.00 0.00 H new ATOM 0 HA ILE A 8 13.022 0.832 7.145 1.00 0.00 H new ATOM 0 HB ILE A 8 12.076 1.690 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.548 3.984 5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.269 3.205 6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.402 3.100 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.116 1.364 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.877 2.343 7.132 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.973 3.921 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.954 2.147 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.221 2.939 3.884 1.00 0.00 H new ATOM 107 N PHE A 9 11.535 -1.185 7.187 1.00 0.00 N ATOM 108 CA PHE A 9 10.652 -2.324 7.235 1.00 0.00 C ATOM 109 C PHE A 9 9.274 -1.893 7.683 1.00 0.00 C ATOM 110 O PHE A 9 9.114 -1.213 8.699 1.00 0.00 O ATOM 111 CB PHE A 9 11.227 -3.401 8.152 1.00 0.00 C ATOM 112 CG PHE A 9 12.591 -3.859 7.716 1.00 0.00 C ATOM 113 CD1 PHE A 9 12.734 -4.707 6.630 1.00 0.00 C ATOM 114 CD2 PHE A 9 13.731 -3.423 8.376 1.00 0.00 C ATOM 115 CE1 PHE A 9 13.985 -5.116 6.212 1.00 0.00 C ATOM 116 CE2 PHE A 9 14.985 -3.826 7.961 1.00 0.00 C ATOM 117 CZ PHE A 9 15.113 -4.674 6.878 1.00 0.00 C ATOM 0 H PHE A 9 12.004 -0.970 8.067 1.00 0.00 H new ATOM 0 HA PHE A 9 10.563 -2.751 6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.285 -3.014 9.170 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.550 -4.255 8.173 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.856 -5.052 6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.637 -2.761 9.224 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.082 -5.780 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 9 15.865 -3.479 8.483 1.00 0.00 H new ATOM 0 HZ PHE A 9 16.093 -4.991 6.552 1.00 0.00 H new ATOM 127 N VAL A 10 8.281 -2.291 6.918 1.00 0.00 N ATOM 128 CA VAL A 10 6.921 -1.885 7.170 1.00 0.00 C ATOM 129 C VAL A 10 6.099 -3.091 7.553 1.00 0.00 C ATOM 130 O VAL A 10 6.269 -4.187 7.013 1.00 0.00 O ATOM 131 CB VAL A 10 6.256 -1.246 5.939 1.00 0.00 C ATOM 132 CG1 VAL A 10 5.304 -0.132 6.343 1.00 0.00 C ATOM 133 CG2 VAL A 10 7.288 -0.746 4.941 1.00 0.00 C ATOM 0 H VAL A 10 8.395 -2.902 6.109 1.00 0.00 H new ATOM 0 HA VAL A 10 6.958 -1.146 7.971 1.00 0.00 H new ATOM 0 HB VAL A 10 5.673 -2.024 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.850 0.300 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.524 -0.536 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.855 0.640 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.781 -0.301 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.921 0.003 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.903 -1.581 4.605 1.00 0.00 H new ATOM 143 N LYS A 11 5.206 -2.877 8.477 1.00 0.00 N ATOM 144 CA LYS A 11 4.329 -3.922 8.939 1.00 0.00 C ATOM 145 C LYS A 11 3.005 -3.779 8.223 1.00 0.00 C ATOM 146 O LYS A 11 2.423 -2.700 8.221 1.00 0.00 O ATOM 147 CB LYS A 11 4.116 -3.820 10.449 1.00 0.00 C ATOM 148 CG LYS A 11 5.406 -3.824 11.257 1.00 0.00 C ATOM 149 CD LYS A 11 5.138 -3.664 12.746 1.00 0.00 C ATOM 150 CE LYS A 11 4.502 -2.318 13.066 1.00 0.00 C ATOM 151 NZ LYS A 11 4.165 -2.191 14.508 1.00 0.00 N ATOM 0 H LYS A 11 5.063 -1.976 8.932 1.00 0.00 H new ATOM 0 HA LYS A 11 4.774 -4.894 8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.565 -2.905 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.492 -4.653 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.942 -4.757 11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.052 -3.016 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.482 -4.466 13.085 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.074 -3.764 13.296 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.185 -1.517 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.598 -2.193 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.734 -1.261 14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.494 -2.939 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.031 -2.284 15.076 1.00 0.00 H new ATOM 165 N VAL A 12 2.538 -4.854 7.622 1.00 0.00 N ATOM 166 CA VAL A 12 1.291 -4.831 6.871 1.00 0.00 C ATOM 167 C VAL A 12 0.350 -5.898 7.407 1.00 0.00 C ATOM 168 O VAL A 12 0.728 -7.062 7.558 1.00 0.00 O ATOM 169 CB VAL A 12 1.535 -5.005 5.335 1.00 0.00 C ATOM 170 CG1 VAL A 12 2.953 -5.473 5.069 1.00 0.00 C ATOM 171 CG2 VAL A 12 0.532 -5.965 4.688 1.00 0.00 C ATOM 0 H VAL A 12 3.003 -5.762 7.637 1.00 0.00 H new ATOM 0 HA VAL A 12 0.827 -3.854 7.004 1.00 0.00 H new ATOM 0 HB VAL A 12 1.387 -4.026 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.103 -5.588 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.658 -4.738 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.119 -6.430 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.745 -6.050 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.615 -6.947 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.479 -5.582 4.826 1.00 0.00 H new ATOM 181 N SER A 13 -0.856 -5.474 7.744 1.00 0.00 N ATOM 182 CA SER A 13 -1.869 -6.368 8.271 1.00 0.00 C ATOM 183 C SER A 13 -3.011 -6.498 7.276 1.00 0.00 C ATOM 184 O SER A 13 -3.390 -5.521 6.630 1.00 0.00 O ATOM 185 CB SER A 13 -2.391 -5.839 9.608 1.00 0.00 C ATOM 186 OG SER A 13 -1.329 -5.618 10.524 1.00 0.00 O ATOM 0 H SER A 13 -1.158 -4.504 7.660 1.00 0.00 H new ATOM 0 HA SER A 13 -1.427 -7.351 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.935 -4.908 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.098 -6.551 10.033 1.00 0.00 H new ATOM 0 HG SER A 13 -1.691 -5.279 11.369 1.00 0.00 H new ATOM 192 N MET A 14 -3.550 -7.701 7.151 1.00 0.00 N ATOM 193 CA MET A 14 -4.633 -7.954 6.218 1.00 0.00 C ATOM 194 C MET A 14 -5.976 -7.916 6.927 1.00 0.00 C ATOM 195 O MET A 14 -6.206 -8.647 7.892 1.00 0.00 O ATOM 196 CB MET A 14 -4.458 -9.310 5.528 1.00 0.00 C ATOM 197 CG MET A 14 -3.263 -9.385 4.592 1.00 0.00 C ATOM 198 SD MET A 14 -3.222 -8.034 3.405 1.00 0.00 S ATOM 199 CE MET A 14 -4.889 -8.125 2.753 1.00 0.00 C ATOM 0 H MET A 14 -3.253 -8.517 7.686 1.00 0.00 H new ATOM 0 HA MET A 14 -4.606 -7.168 5.463 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.357 -10.082 6.291 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.362 -9.537 4.963 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.345 -9.374 5.180 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.286 -10.334 4.055 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.980 -7.461 1.894 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.104 -9.148 2.445 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.598 -7.821 3.523 1.00 0.00 H new ATOM 209 N ASP A 15 -6.854 -7.045 6.455 1.00 0.00 N ATOM 210 CA ASP A 15 -8.210 -6.972 6.978 1.00 0.00 C ATOM 211 C ASP A 15 -9.189 -7.617 6.006 1.00 0.00 C ATOM 212 O ASP A 15 -9.163 -7.347 4.802 1.00 0.00 O ATOM 213 CB ASP A 15 -8.621 -5.523 7.259 1.00 0.00 C ATOM 214 CG ASP A 15 -8.302 -5.082 8.675 1.00 0.00 C ATOM 215 OD1 ASP A 15 -9.169 -5.248 9.559 1.00 0.00 O ATOM 216 OD2 ASP A 15 -7.193 -4.554 8.914 1.00 0.00 O ATOM 0 H ASP A 15 -6.652 -6.378 5.710 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.234 -7.519 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.113 -4.864 6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.691 -5.414 7.082 1.00 0.00 H new ATOM 221 N GLY A 16 -10.029 -8.486 6.542 1.00 0.00 N ATOM 222 CA GLY A 16 -11.011 -9.190 5.743 1.00 0.00 C ATOM 223 C GLY A 16 -10.588 -10.616 5.456 1.00 0.00 C ATOM 224 O GLY A 16 -11.427 -11.513 5.358 1.00 0.00 O ATOM 0 H GLY A 16 -10.048 -8.720 7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.968 -9.193 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.162 -8.660 4.803 1.00 0.00 H new ATOM 228 N ALA A 17 -9.288 -10.822 5.313 1.00 0.00 N ATOM 229 CA ALA A 17 -8.727 -12.161 5.189 1.00 0.00 C ATOM 230 C ALA A 17 -7.464 -12.281 6.032 1.00 0.00 C ATOM 231 O ALA A 17 -6.677 -11.341 6.107 1.00 0.00 O ATOM 232 CB ALA A 17 -8.432 -12.493 3.739 1.00 0.00 C ATOM 0 H ALA A 17 -8.596 -10.073 5.280 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.463 -12.877 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.014 -13.498 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.354 -12.445 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.715 -11.775 3.340 1.00 0.00 H new ATOM 238 N PRO A 18 -7.254 -13.429 6.682 1.00 0.00 N ATOM 239 CA PRO A 18 -6.074 -13.650 7.522 1.00 0.00 C ATOM 240 C PRO A 18 -4.806 -13.951 6.714 1.00 0.00 C ATOM 241 O PRO A 18 -4.778 -14.879 5.903 1.00 0.00 O ATOM 242 CB PRO A 18 -6.477 -14.873 8.346 1.00 0.00 C ATOM 243 CG PRO A 18 -7.415 -15.626 7.464 1.00 0.00 C ATOM 244 CD PRO A 18 -8.153 -14.596 6.655 1.00 0.00 C ATOM 0 HA PRO A 18 -5.821 -12.767 8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.609 -15.477 8.610 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.958 -14.581 9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.872 -16.313 6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.108 -16.225 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.334 -14.940 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.125 -14.364 7.091 1.00 0.00 H new ATOM 252 N TYR A 19 -3.759 -13.164 6.955 1.00 0.00 N ATOM 253 CA TYR A 19 -2.434 -13.403 6.379 1.00 0.00 C ATOM 254 C TYR A 19 -1.377 -12.826 7.299 1.00 0.00 C ATOM 255 O TYR A 19 -1.706 -12.107 8.241 1.00 0.00 O ATOM 256 CB TYR A 19 -2.265 -12.744 5.004 1.00 0.00 C ATOM 257 CG TYR A 19 -3.196 -13.240 3.922 1.00 0.00 C ATOM 258 CD1 TYR A 19 -2.942 -14.424 3.244 1.00 0.00 C ATOM 259 CD2 TYR A 19 -4.320 -12.508 3.570 1.00 0.00 C ATOM 260 CE1 TYR A 19 -3.786 -14.866 2.244 1.00 0.00 C ATOM 261 CE2 TYR A 19 -5.169 -12.943 2.573 1.00 0.00 C ATOM 262 CZ TYR A 19 -4.899 -14.122 1.913 1.00 0.00 C ATOM 263 OH TYR A 19 -5.743 -14.558 0.919 1.00 0.00 O ATOM 0 H TYR A 19 -3.804 -12.341 7.556 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.326 -14.482 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.408 -11.669 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.238 -12.896 4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.071 -15.009 3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.534 -11.583 4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.576 -15.789 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.041 -12.362 2.311 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.479 -13.919 0.811 1.00 0.00 H new ATOM 273 N LEU A 20 -0.118 -13.143 7.035 1.00 0.00 N ATOM 274 CA LEU A 20 0.986 -12.471 7.703 1.00 0.00 C ATOM 275 C LEU A 20 2.096 -12.160 6.703 1.00 0.00 C ATOM 276 O LEU A 20 2.852 -13.043 6.299 1.00 0.00 O ATOM 277 CB LEU A 20 1.535 -13.350 8.825 1.00 0.00 C ATOM 278 CG LEU A 20 0.529 -13.728 9.912 1.00 0.00 C ATOM 279 CD1 LEU A 20 1.100 -14.817 10.802 1.00 0.00 C ATOM 280 CD2 LEU A 20 0.155 -12.511 10.744 1.00 0.00 C ATOM 0 H LEU A 20 0.164 -13.859 6.365 1.00 0.00 H new ATOM 0 HA LEU A 20 0.619 -11.537 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.931 -14.266 8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.373 -12.832 9.293 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.372 -14.105 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.373 -15.076 11.572 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.322 -15.699 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.015 -14.459 11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.562 -12.802 11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.049 -12.105 11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.291 -11.753 10.100 1.00 0.00 H new ATOM 292 N ARG A 21 2.160 -10.907 6.280 1.00 0.00 N ATOM 293 CA ARG A 21 3.232 -10.427 5.409 1.00 0.00 C ATOM 294 C ARG A 21 3.848 -9.151 5.981 1.00 0.00 C ATOM 295 O ARG A 21 3.124 -8.293 6.478 1.00 0.00 O ATOM 296 CB ARG A 21 2.714 -10.145 3.990 1.00 0.00 C ATOM 297 CG ARG A 21 2.527 -11.376 3.105 1.00 0.00 C ATOM 298 CD ARG A 21 1.329 -12.215 3.520 1.00 0.00 C ATOM 299 NE ARG A 21 1.165 -13.398 2.674 1.00 0.00 N ATOM 300 CZ ARG A 21 1.453 -14.641 3.065 1.00 0.00 C ATOM 301 NH1 ARG A 21 2.003 -14.861 4.255 1.00 0.00 N ATOM 302 NH2 ARG A 21 1.210 -15.663 2.257 1.00 0.00 N ATOM 0 H ARG A 21 1.475 -10.193 6.527 1.00 0.00 H new ATOM 0 HA ARG A 21 3.989 -11.210 5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.759 -9.625 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.408 -9.465 3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.404 -11.059 2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.427 -11.989 3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.447 -12.526 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.426 -11.606 3.470 1.00 0.00 H new ATOM 0 HE ARG A 21 0.809 -13.264 1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.207 -14.077 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.221 -15.813 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.803 -15.500 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.430 -16.613 2.556 1.00 0.00 H new ATOM 316 N LYS A 22 5.170 -9.030 5.924 1.00 0.00 N ATOM 317 CA LYS A 22 5.846 -7.765 6.230 1.00 0.00 C ATOM 318 C LYS A 22 6.865 -7.477 5.130 1.00 0.00 C ATOM 319 O LYS A 22 7.505 -8.402 4.625 1.00 0.00 O ATOM 320 CB LYS A 22 6.551 -7.800 7.592 1.00 0.00 C ATOM 321 CG LYS A 22 5.663 -8.200 8.764 1.00 0.00 C ATOM 322 CD LYS A 22 4.531 -7.224 8.995 1.00 0.00 C ATOM 323 CE LYS A 22 3.425 -7.831 9.840 1.00 0.00 C ATOM 324 NZ LYS A 22 2.727 -8.926 9.124 1.00 0.00 N ATOM 0 H LYS A 22 5.799 -9.791 5.669 1.00 0.00 H new ATOM 0 HA LYS A 22 5.094 -6.978 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.387 -8.497 7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.971 -6.814 7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.251 -9.192 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.269 -8.269 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.916 -6.331 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.123 -6.907 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.846 -8.214 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.707 -7.057 10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.796 -9.087 9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.602 -8.664 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.293 -9.797 9.185 1.00 0.00 H new ATOM 338 N ILE A 23 7.018 -6.212 4.759 1.00 0.00 N ATOM 339 CA ILE A 23 7.839 -5.852 3.605 1.00 0.00 C ATOM 340 C ILE A 23 8.605 -4.557 3.813 1.00 0.00 C ATOM 341 O ILE A 23 8.439 -3.872 4.816 1.00 0.00 O ATOM 342 CB ILE A 23 6.995 -5.711 2.325 1.00 0.00 C ATOM 343 CG1 ILE A 23 5.753 -4.871 2.606 1.00 0.00 C ATOM 344 CG2 ILE A 23 6.631 -7.072 1.772 1.00 0.00 C ATOM 345 CD1 ILE A 23 4.742 -4.851 1.479 1.00 0.00 C ATOM 0 H ILE A 23 6.588 -5.420 5.236 1.00 0.00 H new ATOM 0 HA ILE A 23 8.550 -6.671 3.493 1.00 0.00 H new ATOM 0 HB ILE A 23 7.586 -5.197 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.268 -5.251 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.062 -3.848 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.035 -6.950 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.541 -7.624 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.055 -7.624 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.892 -4.231 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.206 -4.441 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.400 -5.866 1.279 1.00 0.00 H new ATOM 357 N ASP A 24 9.454 -4.258 2.847 1.00 0.00 N ATOM 358 CA ASP A 24 10.266 -3.037 2.849 1.00 0.00 C ATOM 359 C ASP A 24 9.861 -2.148 1.682 1.00 0.00 C ATOM 360 O ASP A 24 9.535 -2.641 0.607 1.00 0.00 O ATOM 361 CB ASP A 24 11.760 -3.374 2.749 1.00 0.00 C ATOM 362 CG ASP A 24 12.616 -2.153 2.443 1.00 0.00 C ATOM 363 OD1 ASP A 24 12.799 -1.835 1.254 1.00 0.00 O ATOM 364 OD2 ASP A 24 13.111 -1.504 3.384 1.00 0.00 O ATOM 0 H ASP A 24 9.606 -4.852 2.032 1.00 0.00 H new ATOM 0 HA ASP A 24 10.093 -2.510 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.092 -3.820 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.909 -4.122 1.970 1.00 0.00 H new ATOM 369 N LEU A 25 9.888 -0.840 1.905 1.00 0.00 N ATOM 370 CA LEU A 25 9.427 0.123 0.907 1.00 0.00 C ATOM 371 C LEU A 25 10.396 0.219 -0.271 1.00 0.00 C ATOM 372 O LEU A 25 9.991 0.242 -1.429 1.00 0.00 O ATOM 373 CB LEU A 25 9.280 1.512 1.529 1.00 0.00 C ATOM 374 CG LEU A 25 8.270 1.650 2.676 1.00 0.00 C ATOM 375 CD1 LEU A 25 8.517 2.942 3.435 1.00 0.00 C ATOM 376 CD2 LEU A 25 6.839 1.630 2.158 1.00 0.00 C ATOM 0 H LEU A 25 10.225 -0.418 2.771 1.00 0.00 H new ATOM 0 HA LEU A 25 8.461 -0.231 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.257 1.825 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.997 2.210 0.741 1.00 0.00 H new ATOM 0 HG LEU A 25 8.406 0.800 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.795 3.031 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.526 2.935 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.407 3.789 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.148 1.730 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.691 2.458 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.652 0.688 1.643 1.00 0.00 H new ATOM 388 N ARG A 26 11.682 0.271 0.043 1.00 0.00 N ATOM 389 CA ARG A 26 12.697 0.672 -0.922 1.00 0.00 C ATOM 390 C ARG A 26 13.093 -0.448 -1.875 1.00 0.00 C ATOM 391 O ARG A 26 13.594 -0.179 -2.966 1.00 0.00 O ATOM 392 CB ARG A 26 13.923 1.201 -0.196 1.00 0.00 C ATOM 393 CG ARG A 26 13.571 2.186 0.899 1.00 0.00 C ATOM 394 CD ARG A 26 14.780 2.957 1.399 1.00 0.00 C ATOM 395 NE ARG A 26 15.831 2.084 1.919 1.00 0.00 N ATOM 396 CZ ARG A 26 16.896 2.526 2.594 1.00 0.00 C ATOM 397 NH1 ARG A 26 17.019 3.818 2.872 1.00 0.00 N ATOM 398 NH2 ARG A 26 17.831 1.675 3.002 1.00 0.00 N ATOM 0 H ARG A 26 12.050 0.039 0.966 1.00 0.00 H new ATOM 0 HA ARG A 26 12.257 1.460 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.474 0.365 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.586 1.683 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.825 2.888 0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.116 1.651 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.184 3.559 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.467 3.648 2.182 1.00 0.00 H new ATOM 0 HE ARG A 26 15.746 1.080 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.300 4.475 2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.833 4.154 3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.738 0.680 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.642 2.017 3.517 1.00 0.00 H new ATOM 412 N VAL A 27 12.878 -1.694 -1.469 1.00 0.00 N ATOM 413 CA VAL A 27 13.271 -2.848 -2.283 1.00 0.00 C ATOM 414 C VAL A 27 12.562 -2.874 -3.638 1.00 0.00 C ATOM 415 O VAL A 27 12.945 -3.635 -4.527 1.00 0.00 O ATOM 416 CB VAL A 27 13.010 -4.190 -1.562 1.00 0.00 C ATOM 417 CG1 VAL A 27 13.901 -4.332 -0.340 1.00 0.00 C ATOM 418 CG2 VAL A 27 11.545 -4.325 -1.177 1.00 0.00 C ATOM 0 H VAL A 27 12.434 -1.935 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 27 14.343 -2.731 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 27 13.254 -4.995 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.698 -5.284 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.947 -4.297 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.699 -3.517 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.388 -5.278 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.268 -3.510 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.928 -4.285 -2.074 1.00 0.00 H new ATOM 428 N TYR A 28 11.531 -2.055 -3.798 1.00 0.00 N ATOM 429 CA TYR A 28 10.793 -2.014 -5.051 1.00 0.00 C ATOM 430 C TYR A 28 11.353 -0.949 -5.981 1.00 0.00 C ATOM 431 O TYR A 28 11.280 -1.068 -7.202 1.00 0.00 O ATOM 432 CB TYR A 28 9.319 -1.732 -4.782 1.00 0.00 C ATOM 433 CG TYR A 28 8.732 -2.632 -3.728 1.00 0.00 C ATOM 434 CD1 TYR A 28 8.776 -4.011 -3.873 1.00 0.00 C ATOM 435 CD2 TYR A 28 8.145 -2.107 -2.588 1.00 0.00 C ATOM 436 CE1 TYR A 28 8.247 -4.840 -2.911 1.00 0.00 C ATOM 437 CE2 TYR A 28 7.612 -2.933 -1.620 1.00 0.00 C ATOM 438 CZ TYR A 28 7.667 -4.299 -1.788 1.00 0.00 C ATOM 439 OH TYR A 28 7.138 -5.130 -0.833 1.00 0.00 O ATOM 0 H TYR A 28 11.189 -1.415 -3.081 1.00 0.00 H new ATOM 0 HA TYR A 28 10.896 -2.986 -5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.204 -0.694 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.757 -1.851 -5.708 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.232 -4.440 -4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.104 -1.036 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.287 -5.912 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.155 -2.512 -0.737 1.00 0.00 H new ATOM 0 HH TYR A 28 7.632 -5.976 -0.825 1.00 0.00 H new ATOM 449 N GLY A 29 11.926 0.087 -5.377 1.00 0.00 N ATOM 450 CA GLY A 29 12.563 1.159 -6.126 1.00 0.00 C ATOM 451 C GLY A 29 11.633 1.870 -7.094 1.00 0.00 C ATOM 452 O GLY A 29 12.092 2.607 -7.965 1.00 0.00 O ATOM 0 H GLY A 29 11.961 0.205 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.968 1.888 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.406 0.749 -6.682 1.00 0.00 H new ATOM 456 N GLY A 30 10.332 1.664 -6.941 1.00 0.00 N ATOM 457 CA GLY A 30 9.378 2.256 -7.852 1.00 0.00 C ATOM 458 C GLY A 30 8.012 1.616 -7.751 1.00 0.00 C ATOM 459 O GLY A 30 7.835 0.624 -7.041 1.00 0.00 O ATOM 0 H GLY A 30 9.921 1.096 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.293 3.322 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.747 2.160 -8.873 1.00 0.00 H new ATOM 463 N TYR A 31 7.053 2.182 -8.472 1.00 0.00 N ATOM 464 CA TYR A 31 5.671 1.720 -8.430 1.00 0.00 C ATOM 465 C TYR A 31 5.505 0.351 -9.074 1.00 0.00 C ATOM 466 O TYR A 31 4.671 -0.439 -8.638 1.00 0.00 O ATOM 467 CB TYR A 31 4.747 2.716 -9.128 1.00 0.00 C ATOM 468 CG TYR A 31 4.745 4.078 -8.489 1.00 0.00 C ATOM 469 CD1 TYR A 31 4.485 4.224 -7.136 1.00 0.00 C ATOM 470 CD2 TYR A 31 5.005 5.217 -9.236 1.00 0.00 C ATOM 471 CE1 TYR A 31 4.484 5.467 -6.542 1.00 0.00 C ATOM 472 CE2 TYR A 31 5.006 6.466 -8.650 1.00 0.00 C ATOM 473 CZ TYR A 31 4.745 6.587 -7.303 1.00 0.00 C ATOM 474 OH TYR A 31 4.739 7.831 -6.720 1.00 0.00 O ATOM 0 H TYR A 31 7.209 2.971 -9.100 1.00 0.00 H new ATOM 0 HA TYR A 31 5.400 1.639 -7.377 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.050 2.812 -10.171 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.731 2.321 -9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.280 3.349 -6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.210 5.125 -10.292 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.280 5.564 -5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.210 7.344 -9.244 1.00 0.00 H new ATOM 0 HH TYR A 31 4.532 7.744 -5.766 1.00 0.00 H new ATOM 484 N SER A 32 6.294 0.070 -10.105 1.00 0.00 N ATOM 485 CA SER A 32 6.143 -1.176 -10.851 1.00 0.00 C ATOM 486 C SER A 32 6.295 -2.386 -9.942 1.00 0.00 C ATOM 487 O SER A 32 5.418 -3.252 -9.896 1.00 0.00 O ATOM 488 CB SER A 32 7.154 -1.252 -11.989 1.00 0.00 C ATOM 489 OG SER A 32 6.986 -0.168 -12.888 1.00 0.00 O ATOM 0 H SER A 32 7.038 0.681 -10.442 1.00 0.00 H new ATOM 0 HA SER A 32 5.137 -1.185 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.166 -1.240 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.036 -2.195 -12.523 1.00 0.00 H new ATOM 0 HG SER A 32 7.646 -0.236 -13.609 1.00 0.00 H new ATOM 495 N GLU A 33 7.398 -2.441 -9.215 1.00 0.00 N ATOM 496 CA GLU A 33 7.644 -3.542 -8.305 1.00 0.00 C ATOM 497 C GLU A 33 6.781 -3.430 -7.056 1.00 0.00 C ATOM 498 O GLU A 33 6.457 -4.435 -6.436 1.00 0.00 O ATOM 499 CB GLU A 33 9.125 -3.616 -7.952 1.00 0.00 C ATOM 500 CG GLU A 33 9.982 -4.057 -9.125 1.00 0.00 C ATOM 501 CD GLU A 33 11.452 -4.121 -8.789 1.00 0.00 C ATOM 502 OE1 GLU A 33 11.849 -5.016 -8.017 1.00 0.00 O ATOM 503 OE2 GLU A 33 12.220 -3.289 -9.311 1.00 0.00 O ATOM 0 H GLU A 33 8.135 -1.736 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 33 7.366 -4.469 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.462 -2.638 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.263 -4.311 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.649 -5.038 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.834 -3.367 -9.956 1.00 0.00 H new ATOM 510 N LEU A 34 6.405 -2.206 -6.695 1.00 0.00 N ATOM 511 CA LEU A 34 5.493 -1.989 -5.573 1.00 0.00 C ATOM 512 C LEU A 34 4.161 -2.680 -5.828 1.00 0.00 C ATOM 513 O LEU A 34 3.713 -3.509 -5.039 1.00 0.00 O ATOM 514 CB LEU A 34 5.232 -0.494 -5.378 1.00 0.00 C ATOM 515 CG LEU A 34 4.122 -0.166 -4.380 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.643 -0.235 -2.953 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.510 1.193 -4.687 1.00 0.00 C ATOM 0 H LEU A 34 6.715 -1.353 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 34 5.960 -2.404 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.154 -0.018 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.977 -0.054 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 34 3.335 -0.913 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.836 0.002 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.014 -1.240 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.453 0.483 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.722 1.408 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.280 1.962 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.089 1.184 -5.692 1.00 0.00 H new ATOM 529 N LEU A 35 3.555 -2.348 -6.956 1.00 0.00 N ATOM 530 CA LEU A 35 2.266 -2.887 -7.335 1.00 0.00 C ATOM 531 C LEU A 35 2.369 -4.384 -7.599 1.00 0.00 C ATOM 532 O LEU A 35 1.462 -5.158 -7.291 1.00 0.00 O ATOM 533 CB LEU A 35 1.767 -2.146 -8.572 1.00 0.00 C ATOM 534 CG LEU A 35 1.517 -0.646 -8.362 1.00 0.00 C ATOM 535 CD1 LEU A 35 1.290 0.062 -9.688 1.00 0.00 C ATOM 536 CD2 LEU A 35 0.330 -0.424 -7.437 1.00 0.00 C ATOM 0 H LEU A 35 3.947 -1.695 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 35 1.555 -2.747 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.496 -2.271 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.841 -2.611 -8.909 1.00 0.00 H new ATOM 0 HG LEU A 35 2.407 -0.222 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.115 1.123 -9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.169 -0.059 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.422 -0.369 -10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.170 0.646 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.562 -0.872 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.530 -0.886 -6.471 1.00 0.00 H new ATOM 548 N LYS A 36 3.504 -4.773 -8.147 1.00 0.00 N ATOM 549 CA LYS A 36 3.784 -6.166 -8.459 1.00 0.00 C ATOM 550 C LYS A 36 3.943 -6.979 -7.176 1.00 0.00 C ATOM 551 O LYS A 36 3.594 -8.160 -7.120 1.00 0.00 O ATOM 552 CB LYS A 36 5.056 -6.252 -9.305 1.00 0.00 C ATOM 553 CG LYS A 36 5.235 -7.571 -10.037 1.00 0.00 C ATOM 554 CD LYS A 36 4.083 -7.831 -10.992 1.00 0.00 C ATOM 555 CE LYS A 36 4.262 -9.128 -11.759 1.00 0.00 C ATOM 556 NZ LYS A 36 3.130 -9.373 -12.690 1.00 0.00 N ATOM 0 H LYS A 36 4.260 -4.133 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 36 2.949 -6.581 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.047 -5.443 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.919 -6.089 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.174 -7.558 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.302 -8.384 -9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.149 -7.867 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.001 -7.002 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.195 -9.093 -12.321 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.343 -9.958 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.285 -10.267 -13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.243 -9.431 -12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.069 -8.593 -13.375 1.00 0.00 H new ATOM 570 N ALA A 37 4.482 -6.334 -6.150 1.00 0.00 N ATOM 571 CA ALA A 37 4.674 -6.967 -4.856 1.00 0.00 C ATOM 572 C ALA A 37 3.345 -7.320 -4.217 1.00 0.00 C ATOM 573 O ALA A 37 3.213 -8.364 -3.596 1.00 0.00 O ATOM 574 CB ALA A 37 5.458 -6.059 -3.933 1.00 0.00 C ATOM 0 H ALA A 37 4.796 -5.364 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 37 5.236 -7.887 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.592 -6.549 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.433 -5.848 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.914 -5.125 -3.793 1.00 0.00 H new ATOM 580 N LEU A 38 2.362 -6.448 -4.375 1.00 0.00 N ATOM 581 CA LEU A 38 1.031 -6.688 -3.823 1.00 0.00 C ATOM 582 C LEU A 38 0.451 -7.936 -4.453 1.00 0.00 C ATOM 583 O LEU A 38 -0.037 -8.835 -3.765 1.00 0.00 O ATOM 584 CB LEU A 38 0.091 -5.524 -4.104 1.00 0.00 C ATOM 585 CG LEU A 38 0.758 -4.174 -4.316 1.00 0.00 C ATOM 586 CD1 LEU A 38 -0.199 -3.240 -5.024 1.00 0.00 C ATOM 587 CD2 LEU A 38 1.211 -3.576 -2.995 1.00 0.00 C ATOM 0 H LEU A 38 2.457 -5.567 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 38 1.130 -6.803 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.497 -5.761 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.608 -5.437 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 38 1.643 -4.315 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.281 -2.273 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.473 -3.664 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.095 -3.109 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.685 -2.611 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.349 -3.440 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.925 -4.247 -2.518 1.00 0.00 H new ATOM 599 N GLU A 39 0.513 -7.969 -5.780 1.00 0.00 N ATOM 600 CA GLU A 39 0.140 -9.150 -6.548 1.00 0.00 C ATOM 601 C GLU A 39 0.890 -10.380 -6.053 1.00 0.00 C ATOM 602 O GLU A 39 0.402 -11.498 -6.157 1.00 0.00 O ATOM 603 CB GLU A 39 0.431 -8.936 -8.033 1.00 0.00 C ATOM 604 CG GLU A 39 -0.307 -7.755 -8.631 1.00 0.00 C ATOM 605 CD GLU A 39 -0.086 -7.634 -10.122 1.00 0.00 C ATOM 606 OE1 GLU A 39 -0.841 -8.260 -10.893 1.00 0.00 O ATOM 607 OE2 GLU A 39 0.838 -6.906 -10.532 1.00 0.00 O ATOM 0 H GLU A 39 0.822 -7.182 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.929 -9.313 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.503 -8.790 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.161 -9.838 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.374 -7.857 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.022 -6.838 -8.142 1.00 0.00 H new ATOM 614 N THR A 40 2.083 -10.161 -5.524 1.00 0.00 N ATOM 615 CA THR A 40 2.878 -11.229 -4.951 1.00 0.00 C ATOM 616 C THR A 40 2.354 -11.640 -3.571 1.00 0.00 C ATOM 617 O THR A 40 2.248 -12.827 -3.264 1.00 0.00 O ATOM 618 CB THR A 40 4.351 -10.793 -4.827 1.00 0.00 C ATOM 619 OG1 THR A 40 4.931 -10.635 -6.131 1.00 0.00 O ATOM 620 CG2 THR A 40 5.148 -11.794 -4.009 1.00 0.00 C ATOM 0 H THR A 40 2.524 -9.242 -5.481 1.00 0.00 H new ATOM 0 HA THR A 40 2.803 -12.087 -5.620 1.00 0.00 H new ATOM 0 HB THR A 40 4.382 -9.835 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.546 -9.847 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.184 -11.462 -3.937 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.721 -11.869 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.112 -12.770 -4.493 1.00 0.00 H new ATOM 628 N MET A 41 2.004 -10.641 -2.764 1.00 0.00 N ATOM 629 CA MET A 41 1.693 -10.841 -1.348 1.00 0.00 C ATOM 630 C MET A 41 0.600 -11.887 -1.141 1.00 0.00 C ATOM 631 O MET A 41 0.783 -12.867 -0.415 1.00 0.00 O ATOM 632 CB MET A 41 1.213 -9.517 -0.739 1.00 0.00 C ATOM 633 CG MET A 41 2.202 -8.370 -0.857 1.00 0.00 C ATOM 634 SD MET A 41 3.377 -8.299 0.505 1.00 0.00 S ATOM 635 CE MET A 41 2.335 -7.619 1.790 1.00 0.00 C ATOM 0 H MET A 41 1.928 -9.671 -3.071 1.00 0.00 H new ATOM 0 HA MET A 41 2.604 -11.192 -0.863 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.281 -9.227 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.988 -9.678 0.315 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.749 -8.466 -1.795 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.653 -7.429 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.943 -7.378 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.850 -6.714 1.424 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.576 -8.350 2.068 1.00 0.00 H new ATOM 645 N PHE A 42 -0.546 -11.648 -1.757 1.00 0.00 N ATOM 646 CA PHE A 42 -1.682 -12.562 -1.661 1.00 0.00 C ATOM 647 C PHE A 42 -1.923 -13.274 -2.980 1.00 0.00 C ATOM 648 O PHE A 42 -2.912 -13.987 -3.146 1.00 0.00 O ATOM 649 CB PHE A 42 -2.936 -11.805 -1.215 1.00 0.00 C ATOM 650 CG PHE A 42 -2.705 -10.330 -1.080 1.00 0.00 C ATOM 651 CD1 PHE A 42 -2.859 -9.489 -2.170 1.00 0.00 C ATOM 652 CD2 PHE A 42 -2.307 -9.788 0.131 1.00 0.00 C ATOM 653 CE1 PHE A 42 -2.619 -8.139 -2.056 1.00 0.00 C ATOM 654 CE2 PHE A 42 -2.070 -8.436 0.250 1.00 0.00 C ATOM 655 CZ PHE A 42 -2.225 -7.616 -0.846 1.00 0.00 C ATOM 0 H PHE A 42 -0.719 -10.824 -2.333 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.449 -13.319 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.735 -11.979 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.276 -12.204 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.171 -9.898 -3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.181 -10.431 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.739 -7.493 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.764 -8.021 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.036 -6.557 -0.755 1.00 0.00 H new ATOM 665 N LYS A 43 -0.999 -13.068 -3.907 1.00 0.00 N ATOM 666 CA LYS A 43 -0.998 -13.764 -5.191 1.00 0.00 C ATOM 667 C LYS A 43 -2.260 -13.467 -6.004 1.00 0.00 C ATOM 668 O LYS A 43 -2.822 -14.350 -6.653 1.00 0.00 O ATOM 669 CB LYS A 43 -0.814 -15.274 -4.985 1.00 0.00 C ATOM 670 CG LYS A 43 0.463 -15.620 -4.230 1.00 0.00 C ATOM 671 CD LYS A 43 0.240 -15.707 -2.729 1.00 0.00 C ATOM 672 CE LYS A 43 1.559 -15.697 -1.968 1.00 0.00 C ATOM 673 NZ LYS A 43 2.438 -16.831 -2.348 1.00 0.00 N ATOM 0 H LYS A 43 -0.226 -12.413 -3.792 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.153 -13.389 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.671 -15.668 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.801 -15.769 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.851 -16.572 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.222 -14.866 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.376 -14.869 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.310 -16.618 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.079 -14.758 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.358 -15.739 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.277 -16.841 -1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.918 -17.725 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.735 -16.723 -3.339 1.00 0.00 H new ATOM 687 N LEU A 44 -2.685 -12.210 -5.982 1.00 0.00 N ATOM 688 CA LEU A 44 -3.830 -11.766 -6.765 1.00 0.00 C ATOM 689 C LEU A 44 -3.571 -10.377 -7.330 1.00 0.00 C ATOM 690 O LEU A 44 -2.702 -9.656 -6.848 1.00 0.00 O ATOM 691 CB LEU A 44 -5.112 -11.795 -5.934 1.00 0.00 C ATOM 692 CG LEU A 44 -5.008 -11.198 -4.533 1.00 0.00 C ATOM 693 CD1 LEU A 44 -5.284 -9.709 -4.567 1.00 0.00 C ATOM 694 CD2 LEU A 44 -5.959 -11.897 -3.581 1.00 0.00 C ATOM 0 H LEU A 44 -2.249 -11.475 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.968 -12.456 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.889 -11.260 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.441 -12.830 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.991 -11.350 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.205 -9.301 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.557 -9.219 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.289 -9.534 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.869 -11.456 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.982 -11.781 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.710 -12.957 -3.531 1.00 0.00 H new ATOM 706 N THR A 45 -4.345 -10.007 -8.331 1.00 0.00 N ATOM 707 CA THR A 45 -4.033 -8.840 -9.153 1.00 0.00 C ATOM 708 C THR A 45 -4.548 -7.523 -8.565 1.00 0.00 C ATOM 709 O THR A 45 -5.743 -7.227 -8.629 1.00 0.00 O ATOM 710 CB THR A 45 -4.609 -9.012 -10.570 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.205 -10.278 -11.111 1.00 0.00 O ATOM 712 CG2 THR A 45 -4.135 -7.894 -11.486 1.00 0.00 C ATOM 0 H THR A 45 -5.199 -10.495 -8.601 1.00 0.00 H new ATOM 0 HA THR A 45 -2.945 -8.781 -9.184 1.00 0.00 H new ATOM 0 HB THR A 45 -5.696 -8.972 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.576 -10.382 -12.012 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.555 -8.037 -12.482 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.463 -6.934 -11.088 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.047 -7.909 -11.546 1.00 0.00 H new ATOM 720 N ILE A 46 -3.640 -6.743 -7.982 1.00 0.00 N ATOM 721 CA ILE A 46 -3.930 -5.366 -7.611 1.00 0.00 C ATOM 722 C ILE A 46 -3.601 -4.436 -8.781 1.00 0.00 C ATOM 723 O ILE A 46 -2.718 -4.736 -9.588 1.00 0.00 O ATOM 724 CB ILE A 46 -3.118 -4.925 -6.373 1.00 0.00 C ATOM 725 CG1 ILE A 46 -3.111 -6.025 -5.310 1.00 0.00 C ATOM 726 CG2 ILE A 46 -3.694 -3.640 -5.792 1.00 0.00 C ATOM 727 CD1 ILE A 46 -4.491 -6.493 -4.927 1.00 0.00 C ATOM 0 H ILE A 46 -2.693 -7.047 -7.757 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.990 -5.306 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.091 -4.741 -6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.537 -6.874 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.600 -5.658 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.112 -3.342 -4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.653 -2.851 -6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.730 -3.807 -5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.414 -7.273 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.062 -5.655 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.998 -6.890 -5.807 1.00 0.00 H new ATOM 739 N GLY A 47 -4.309 -3.317 -8.866 1.00 0.00 N ATOM 740 CA GLY A 47 -4.125 -2.390 -9.964 1.00 0.00 C ATOM 741 C GLY A 47 -3.599 -1.043 -9.512 1.00 0.00 C ATOM 742 O GLY A 47 -3.084 -0.906 -8.403 1.00 0.00 O ATOM 0 H GLY A 47 -5.014 -3.034 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.432 -2.822 -10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.076 -2.250 -10.479 1.00 0.00 H new ATOM 746 N GLU A 48 -3.753 -0.046 -10.371 1.00 0.00 N ATOM 747 CA GLU A 48 -3.191 1.279 -10.136 1.00 0.00 C ATOM 748 C GLU A 48 -4.152 2.187 -9.372 1.00 0.00 C ATOM 749 O GLU A 48 -5.319 1.849 -9.136 1.00 0.00 O ATOM 750 CB GLU A 48 -2.825 1.931 -11.469 1.00 0.00 C ATOM 751 CG GLU A 48 -1.858 1.109 -12.306 1.00 0.00 C ATOM 752 CD GLU A 48 -1.507 1.782 -13.616 1.00 0.00 C ATOM 753 OE1 GLU A 48 -2.271 1.630 -14.593 1.00 0.00 O ATOM 754 OE2 GLU A 48 -0.468 2.469 -13.676 1.00 0.00 O ATOM 0 H GLU A 48 -4.268 -0.130 -11.247 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.299 1.149 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.736 2.100 -12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.384 2.909 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.946 0.935 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.298 0.133 -12.509 1.00 0.00 H new ATOM 761 N TYR A 49 -3.627 3.344 -8.984 1.00 0.00 N ATOM 762 CA TYR A 49 -4.378 4.369 -8.269 1.00 0.00 C ATOM 763 C TYR A 49 -5.366 5.060 -9.214 1.00 0.00 C ATOM 764 O TYR A 49 -5.075 6.125 -9.760 1.00 0.00 O ATOM 765 CB TYR A 49 -3.384 5.387 -7.680 1.00 0.00 C ATOM 766 CG TYR A 49 -3.959 6.363 -6.667 1.00 0.00 C ATOM 767 CD1 TYR A 49 -4.481 7.588 -7.065 1.00 0.00 C ATOM 768 CD2 TYR A 49 -3.958 6.065 -5.310 1.00 0.00 C ATOM 769 CE1 TYR A 49 -4.986 8.485 -6.141 1.00 0.00 C ATOM 770 CE2 TYR A 49 -4.457 6.959 -4.376 1.00 0.00 C ATOM 771 CZ TYR A 49 -4.970 8.167 -4.800 1.00 0.00 C ATOM 772 OH TYR A 49 -5.463 9.064 -3.878 1.00 0.00 O ATOM 0 H TYR A 49 -2.655 3.599 -9.160 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.952 3.913 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.570 4.839 -7.206 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.949 5.958 -8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.493 7.844 -8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.560 5.118 -4.976 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.391 9.431 -6.469 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.444 6.712 -3.325 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.779 9.246 -3.200 1.00 0.00 H new ATOM 782 N SER A 50 -6.514 4.421 -9.434 1.00 0.00 N ATOM 783 CA SER A 50 -7.586 5.001 -10.240 1.00 0.00 C ATOM 784 C SER A 50 -8.022 6.337 -9.658 1.00 0.00 C ATOM 785 O SER A 50 -8.713 6.362 -8.656 1.00 0.00 O ATOM 786 CB SER A 50 -8.774 4.052 -10.273 1.00 0.00 C ATOM 787 OG SER A 50 -8.366 2.740 -10.625 1.00 0.00 O ATOM 0 H SER A 50 -6.726 3.495 -9.062 1.00 0.00 H new ATOM 0 HA SER A 50 -7.215 5.159 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.259 4.036 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.512 4.412 -10.990 1.00 0.00 H new ATOM 0 HG SER A 50 -9.156 2.186 -10.794 1.00 0.00 H new ATOM 793 N GLU A 51 -7.676 7.430 -10.328 1.00 0.00 N ATOM 794 CA GLU A 51 -7.770 8.773 -9.746 1.00 0.00 C ATOM 795 C GLU A 51 -9.167 9.107 -9.238 1.00 0.00 C ATOM 796 O GLU A 51 -9.325 9.923 -8.329 1.00 0.00 O ATOM 797 CB GLU A 51 -7.348 9.812 -10.777 1.00 0.00 C ATOM 798 CG GLU A 51 -8.110 9.714 -12.086 1.00 0.00 C ATOM 799 CD GLU A 51 -7.642 10.720 -13.113 1.00 0.00 C ATOM 800 OE1 GLU A 51 -6.660 10.433 -13.826 1.00 0.00 O ATOM 801 OE2 GLU A 51 -8.268 11.793 -13.230 1.00 0.00 O ATOM 0 H GLU A 51 -7.324 7.416 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.101 8.790 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.491 10.807 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.282 9.701 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.998 8.709 -12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.173 9.864 -11.895 1.00 0.00 H new ATOM 808 N ARG A 52 -10.166 8.476 -9.829 1.00 0.00 N ATOM 809 CA ARG A 52 -11.557 8.753 -9.503 1.00 0.00 C ATOM 810 C ARG A 52 -11.870 8.525 -8.011 1.00 0.00 C ATOM 811 O ARG A 52 -12.469 9.387 -7.375 1.00 0.00 O ATOM 812 CB ARG A 52 -12.480 7.956 -10.436 1.00 0.00 C ATOM 813 CG ARG A 52 -12.319 6.443 -10.394 1.00 0.00 C ATOM 814 CD ARG A 52 -13.205 5.802 -9.342 1.00 0.00 C ATOM 815 NE ARG A 52 -13.267 4.352 -9.503 1.00 0.00 N ATOM 816 CZ ARG A 52 -14.401 3.659 -9.600 1.00 0.00 C ATOM 817 NH1 ARG A 52 -15.575 4.277 -9.533 1.00 0.00 N ATOM 818 NH2 ARG A 52 -14.356 2.344 -9.777 1.00 0.00 N ATOM 0 H ARG A 52 -10.039 7.761 -10.545 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.745 9.813 -9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.513 8.199 -10.189 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.309 8.292 -11.459 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.559 6.026 -11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.277 6.196 -10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.825 6.043 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.210 6.219 -9.408 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.387 3.837 -9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.612 5.288 -9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.439 3.740 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.456 1.868 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.222 1.810 -9.852 1.00 0.00 H new ATOM 832 N GLU A 53 -11.481 7.381 -7.449 1.00 0.00 N ATOM 833 CA GLU A 53 -11.606 7.181 -6.002 1.00 0.00 C ATOM 834 C GLU A 53 -10.241 6.933 -5.386 1.00 0.00 C ATOM 835 O GLU A 53 -9.995 7.232 -4.221 1.00 0.00 O ATOM 836 CB GLU A 53 -12.531 6.011 -5.667 1.00 0.00 C ATOM 837 CG GLU A 53 -13.974 6.284 -6.005 1.00 0.00 C ATOM 838 CD GLU A 53 -14.896 5.144 -5.633 1.00 0.00 C ATOM 839 OE1 GLU A 53 -15.042 4.207 -6.438 1.00 0.00 O ATOM 840 OE2 GLU A 53 -15.488 5.185 -4.535 1.00 0.00 O ATOM 0 H GLU A 53 -11.084 6.592 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.041 8.090 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.198 5.126 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.450 5.784 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.297 7.188 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.060 6.479 -7.074 1.00 0.00 H new ATOM 847 N GLY A 54 -9.367 6.399 -6.219 1.00 0.00 N ATOM 848 CA GLY A 54 -7.990 6.112 -5.888 1.00 0.00 C ATOM 849 C GLY A 54 -7.776 5.254 -4.664 1.00 0.00 C ATOM 850 O GLY A 54 -6.648 5.098 -4.245 1.00 0.00 O ATOM 0 H GLY A 54 -9.608 6.146 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.526 5.618 -6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.466 7.057 -5.743 1.00 0.00 H new ATOM 854 N TYR A 55 -8.818 4.660 -4.099 1.00 0.00 N ATOM 855 CA TYR A 55 -8.620 3.810 -2.930 1.00 0.00 C ATOM 856 C TYR A 55 -9.242 2.440 -3.102 1.00 0.00 C ATOM 857 O TYR A 55 -9.430 1.712 -2.133 1.00 0.00 O ATOM 858 CB TYR A 55 -9.119 4.494 -1.664 1.00 0.00 C ATOM 859 CG TYR A 55 -8.509 5.865 -1.471 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.139 6.077 -1.634 1.00 0.00 C ATOM 861 CD2 TYR A 55 -9.302 6.951 -1.158 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.593 7.327 -1.486 1.00 0.00 C ATOM 863 CE2 TYR A 55 -8.761 8.209 -1.006 1.00 0.00 C ATOM 864 CZ TYR A 55 -7.406 8.395 -1.172 1.00 0.00 C ATOM 865 OH TYR A 55 -6.866 9.650 -1.020 1.00 0.00 O ATOM 0 H TYR A 55 -9.783 4.745 -4.418 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.546 3.654 -2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.204 4.585 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.885 3.870 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.498 5.243 -1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.365 6.812 -1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.531 7.474 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.397 9.046 -0.758 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.425 10.175 -0.410 1.00 0.00 H new ATOM 875 N LYS A 56 -9.586 2.093 -4.333 1.00 0.00 N ATOM 876 CA LYS A 56 -10.013 0.734 -4.616 1.00 0.00 C ATOM 877 C LYS A 56 -8.818 -0.209 -4.621 1.00 0.00 C ATOM 878 O LYS A 56 -8.858 -1.277 -4.019 1.00 0.00 O ATOM 879 CB LYS A 56 -10.797 0.637 -5.945 1.00 0.00 C ATOM 880 CG LYS A 56 -10.361 1.614 -7.042 1.00 0.00 C ATOM 881 CD LYS A 56 -9.115 1.166 -7.806 1.00 0.00 C ATOM 882 CE LYS A 56 -9.430 0.182 -8.930 1.00 0.00 C ATOM 883 NZ LYS A 56 -9.514 -1.226 -8.459 1.00 0.00 N ATOM 0 H LYS A 56 -9.578 2.721 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.694 0.432 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.702 -0.379 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.854 0.801 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.182 1.744 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.170 2.589 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.617 2.041 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.415 0.703 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.375 0.461 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.661 0.258 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.636 -1.727 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.644 -1.240 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.321 -1.697 -8.915 1.00 0.00 H new ATOM 897 N GLY A 57 -7.751 0.229 -5.289 1.00 0.00 N ATOM 898 CA GLY A 57 -6.566 -0.585 -5.554 1.00 0.00 C ATOM 899 C GLY A 57 -6.842 -1.871 -6.333 1.00 0.00 C ATOM 900 O GLY A 57 -6.003 -2.298 -7.110 1.00 0.00 O ATOM 0 H GLY A 57 -7.685 1.174 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.846 0.015 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.099 -0.844 -4.604 1.00 0.00 H new ATOM 904 N SER A 58 -8.056 -2.400 -6.191 1.00 0.00 N ATOM 905 CA SER A 58 -8.500 -3.668 -6.769 1.00 0.00 C ATOM 906 C SER A 58 -9.549 -4.221 -5.814 1.00 0.00 C ATOM 907 O SER A 58 -10.368 -3.463 -5.292 1.00 0.00 O ATOM 908 CB SER A 58 -7.342 -4.670 -6.912 1.00 0.00 C ATOM 909 OG SER A 58 -7.744 -5.850 -7.587 1.00 0.00 O ATOM 0 H SER A 58 -8.787 -1.939 -5.649 1.00 0.00 H new ATOM 0 HA SER A 58 -8.897 -3.509 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.522 -4.202 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.962 -4.929 -5.924 1.00 0.00 H new ATOM 0 HG SER A 58 -6.955 -6.306 -7.947 1.00 0.00 H new ATOM 915 N GLU A 59 -9.520 -5.519 -5.561 1.00 0.00 N ATOM 916 CA GLU A 59 -10.278 -6.075 -4.456 1.00 0.00 C ATOM 917 C GLU A 59 -9.458 -5.925 -3.178 1.00 0.00 C ATOM 918 O GLU A 59 -9.921 -6.223 -2.081 1.00 0.00 O ATOM 919 CB GLU A 59 -10.644 -7.534 -4.705 1.00 0.00 C ATOM 920 CG GLU A 59 -11.625 -8.066 -3.680 1.00 0.00 C ATOM 921 CD GLU A 59 -12.204 -9.412 -4.060 1.00 0.00 C ATOM 922 OE1 GLU A 59 -13.218 -9.437 -4.793 1.00 0.00 O ATOM 923 OE2 GLU A 59 -11.658 -10.447 -3.627 1.00 0.00 O ATOM 0 H GLU A 59 -8.985 -6.200 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.217 -5.531 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.074 -7.633 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.739 -8.141 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.124 -8.151 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.437 -7.349 -3.556 1.00 0.00 H new ATOM 930 N TYR A 60 -8.231 -5.449 -3.346 1.00 0.00 N ATOM 931 CA TYR A 60 -7.366 -5.114 -2.229 1.00 0.00 C ATOM 932 C TYR A 60 -6.716 -3.764 -2.456 1.00 0.00 C ATOM 933 O TYR A 60 -6.165 -3.503 -3.526 1.00 0.00 O ATOM 934 CB TYR A 60 -6.295 -6.182 -2.011 1.00 0.00 C ATOM 935 CG TYR A 60 -6.803 -7.363 -1.220 1.00 0.00 C ATOM 936 CD1 TYR A 60 -6.926 -7.279 0.153 1.00 0.00 C ATOM 937 CD2 TYR A 60 -7.180 -8.544 -1.841 1.00 0.00 C ATOM 938 CE1 TYR A 60 -7.408 -8.332 0.896 1.00 0.00 C ATOM 939 CE2 TYR A 60 -7.667 -9.608 -1.107 1.00 0.00 C ATOM 940 CZ TYR A 60 -7.778 -9.498 0.263 1.00 0.00 C ATOM 941 OH TYR A 60 -8.265 -10.552 0.999 1.00 0.00 O ATOM 0 H TYR A 60 -7.810 -5.285 -4.261 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.983 -5.069 -1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.930 -6.528 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.446 -5.739 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.638 -6.367 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.092 -8.633 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.496 -8.245 1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.959 -10.521 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.480 -11.297 0.400 1.00 0.00 H new ATOM 951 N ALA A 61 -6.794 -2.913 -1.453 1.00 0.00 N ATOM 952 CA ALA A 61 -6.212 -1.589 -1.527 1.00 0.00 C ATOM 953 C ALA A 61 -5.091 -1.448 -0.508 1.00 0.00 C ATOM 954 O ALA A 61 -5.342 -1.369 0.696 1.00 0.00 O ATOM 955 CB ALA A 61 -7.288 -0.543 -1.290 1.00 0.00 C ATOM 0 H ALA A 61 -7.260 -3.118 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.789 -1.438 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.847 0.452 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.063 -0.640 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.727 -0.690 -0.303 1.00 0.00 H new ATOM 961 N PRO A 62 -3.831 -1.465 -0.970 1.00 0.00 N ATOM 962 CA PRO A 62 -2.683 -1.227 -0.096 1.00 0.00 C ATOM 963 C PRO A 62 -2.611 0.222 0.374 1.00 0.00 C ATOM 964 O PRO A 62 -2.459 1.144 -0.425 1.00 0.00 O ATOM 965 CB PRO A 62 -1.478 -1.561 -0.981 1.00 0.00 C ATOM 966 CG PRO A 62 -1.970 -1.433 -2.383 1.00 0.00 C ATOM 967 CD PRO A 62 -3.435 -1.771 -2.357 1.00 0.00 C ATOM 0 HA PRO A 62 -2.734 -1.825 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.650 -0.878 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.112 -2.569 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.812 -0.422 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.429 -2.107 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.998 -1.176 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.610 -2.818 -2.603 1.00 0.00 H new ATOM 975 N THR A 63 -2.659 0.401 1.679 1.00 0.00 N ATOM 976 CA THR A 63 -2.670 1.721 2.273 1.00 0.00 C ATOM 977 C THR A 63 -1.521 1.870 3.256 1.00 0.00 C ATOM 978 O THR A 63 -0.968 0.877 3.734 1.00 0.00 O ATOM 979 CB THR A 63 -4.013 2.012 2.985 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.325 0.970 3.920 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.145 2.147 1.975 1.00 0.00 C ATOM 0 H THR A 63 -2.691 -0.362 2.355 1.00 0.00 H new ATOM 0 HA THR A 63 -2.550 2.445 1.467 1.00 0.00 H new ATOM 0 HB THR A 63 -3.907 2.954 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.607 0.303 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.078 2.351 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.926 2.967 1.291 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.242 1.220 1.411 1.00 0.00 H new ATOM 989 N TYR A 64 -1.161 3.105 3.544 1.00 0.00 N ATOM 990 CA TYR A 64 -0.040 3.393 4.423 1.00 0.00 C ATOM 991 C TYR A 64 -0.418 4.485 5.408 1.00 0.00 C ATOM 992 O TYR A 64 -1.424 5.168 5.227 1.00 0.00 O ATOM 993 CB TYR A 64 1.165 3.848 3.610 1.00 0.00 C ATOM 994 CG TYR A 64 1.072 5.288 3.170 1.00 0.00 C ATOM 995 CD1 TYR A 64 0.105 5.697 2.266 1.00 0.00 C ATOM 996 CD2 TYR A 64 1.947 6.239 3.671 1.00 0.00 C ATOM 997 CE1 TYR A 64 0.014 7.011 1.868 1.00 0.00 C ATOM 998 CE2 TYR A 64 1.870 7.558 3.282 1.00 0.00 C ATOM 999 CZ TYR A 64 0.903 7.943 2.379 1.00 0.00 C ATOM 1000 OH TYR A 64 0.827 9.259 1.981 1.00 0.00 O ATOM 0 H TYR A 64 -1.632 3.933 3.180 1.00 0.00 H new ATOM 0 HA TYR A 64 0.214 2.483 4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.069 3.714 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.264 3.211 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.589 4.972 1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.704 5.940 4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.745 7.314 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.562 8.285 3.681 1.00 0.00 H new ATOM 0 HH TYR A 64 1.522 9.779 2.435 1.00 0.00 H new ATOM 1010 N GLU A 65 0.394 4.652 6.438 1.00 0.00 N ATOM 1011 CA GLU A 65 0.145 5.678 7.440 1.00 0.00 C ATOM 1012 C GLU A 65 1.203 6.771 7.361 1.00 0.00 C ATOM 1013 O GLU A 65 2.405 6.494 7.430 1.00 0.00 O ATOM 1014 CB GLU A 65 0.125 5.075 8.844 1.00 0.00 C ATOM 1015 CG GLU A 65 -0.268 6.072 9.921 1.00 0.00 C ATOM 1016 CD GLU A 65 -0.290 5.461 11.305 1.00 0.00 C ATOM 1017 OE1 GLU A 65 0.795 5.177 11.846 1.00 0.00 O ATOM 1018 OE2 GLU A 65 -1.391 5.263 11.863 1.00 0.00 O ATOM 0 H GLU A 65 1.230 4.092 6.604 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.832 6.116 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.572 4.237 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.112 4.673 9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.432 6.908 9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.253 6.478 9.692 1.00 0.00 H new ATOM 1025 N ASP A 66 0.745 8.006 7.204 1.00 0.00 N ATOM 1026 CA ASP A 66 1.629 9.168 7.172 1.00 0.00 C ATOM 1027 C ASP A 66 1.844 9.702 8.594 1.00 0.00 C ATOM 1028 O ASP A 66 1.290 9.158 9.549 1.00 0.00 O ATOM 1029 CB ASP A 66 1.021 10.254 6.267 1.00 0.00 C ATOM 1030 CG ASP A 66 1.925 11.454 6.068 1.00 0.00 C ATOM 1031 OD1 ASP A 66 2.807 11.411 5.194 1.00 0.00 O ATOM 1032 OD2 ASP A 66 1.769 12.447 6.806 1.00 0.00 O ATOM 0 H ASP A 66 -0.244 8.232 7.096 1.00 0.00 H new ATOM 0 HA ASP A 66 2.598 8.877 6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.791 9.818 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.077 10.588 6.698 1.00 0.00 H new ATOM 1037 N LYS A 67 2.626 10.766 8.734 1.00 0.00 N ATOM 1038 CA LYS A 67 2.891 11.372 10.035 1.00 0.00 C ATOM 1039 C LYS A 67 1.602 11.928 10.630 1.00 0.00 C ATOM 1040 O LYS A 67 1.432 11.996 11.849 1.00 0.00 O ATOM 1041 CB LYS A 67 3.929 12.491 9.905 1.00 0.00 C ATOM 1042 CG LYS A 67 3.423 13.728 9.176 1.00 0.00 C ATOM 1043 CD LYS A 67 4.561 14.501 8.539 1.00 0.00 C ATOM 1044 CE LYS A 67 4.723 14.147 7.067 1.00 0.00 C ATOM 1045 NZ LYS A 67 4.720 12.677 6.830 1.00 0.00 N ATOM 0 H LYS A 67 3.092 11.231 7.955 1.00 0.00 H new ATOM 0 HA LYS A 67 3.286 10.603 10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.262 12.781 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.801 12.103 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.708 13.432 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.891 14.372 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.376 15.571 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.489 14.287 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.916 14.605 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.657 14.570 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.901 12.487 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.463 12.231 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.794 12.284 7.095 1.00 0.00 H new ATOM 1059 N ASP A 68 0.689 12.315 9.747 1.00 0.00 N ATOM 1060 CA ASP A 68 -0.611 12.835 10.151 1.00 0.00 C ATOM 1061 C ASP A 68 -1.450 11.733 10.787 1.00 0.00 C ATOM 1062 O ASP A 68 -2.396 11.997 11.527 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.335 13.414 8.933 1.00 0.00 C ATOM 1064 CG ASP A 68 -2.653 14.077 9.282 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -2.642 15.262 9.674 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -3.710 13.425 9.146 1.00 0.00 O ATOM 0 H ASP A 68 0.828 12.278 8.737 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.463 13.624 10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.687 14.142 8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.516 12.616 8.213 1.00 0.00 H new ATOM 1071 N GLY A 69 -1.062 10.490 10.526 1.00 0.00 N ATOM 1072 CA GLY A 69 -1.826 9.356 11.004 1.00 0.00 C ATOM 1073 C GLY A 69 -2.928 8.991 10.038 1.00 0.00 C ATOM 1074 O GLY A 69 -3.818 8.199 10.355 1.00 0.00 O ATOM 0 H GLY A 69 -0.229 10.248 9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.164 8.501 11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.256 9.589 11.978 1.00 0.00 H new ATOM 1078 N ASP A 70 -2.858 9.582 8.855 1.00 0.00 N ATOM 1079 CA ASP A 70 -3.867 9.386 7.832 1.00 0.00 C ATOM 1080 C ASP A 70 -3.432 8.287 6.871 1.00 0.00 C ATOM 1081 O ASP A 70 -2.235 8.091 6.648 1.00 0.00 O ATOM 1082 CB ASP A 70 -4.095 10.694 7.078 1.00 0.00 C ATOM 1083 CG ASP A 70 -5.423 10.732 6.352 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -6.299 9.902 6.667 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -5.607 11.617 5.490 1.00 0.00 O ATOM 0 H ASP A 70 -2.102 10.209 8.580 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.802 9.082 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.047 11.526 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.289 10.838 6.358 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.403 7.578 6.316 1.00 0.00 N ATOM 1091 CA TRP A 71 -4.131 6.442 5.445 1.00 0.00 C ATOM 1092 C TRP A 71 -4.715 6.667 4.053 1.00 0.00 C ATOM 1093 O TRP A 71 -5.863 7.098 3.911 1.00 0.00 O ATOM 1094 CB TRP A 71 -4.723 5.156 6.041 1.00 0.00 C ATOM 1095 CG TRP A 71 -4.104 4.727 7.341 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -4.162 5.383 8.536 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.351 3.530 7.580 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -3.482 4.676 9.497 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -2.974 3.537 8.935 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -2.952 2.458 6.779 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -2.223 2.514 9.506 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -2.206 1.444 7.347 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -1.847 1.478 8.698 1.00 0.00 C ATOM 0 H TRP A 71 -5.395 7.771 6.454 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.049 6.340 5.361 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.793 5.300 6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.610 4.350 5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.669 6.322 8.702 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.373 4.955 10.472 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.222 2.422 5.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.947 2.538 10.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.894 0.609 6.737 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.261 0.670 9.111 1.00 0.00 H new ATOM 1114 N MET A 72 -3.909 6.405 3.032 1.00 0.00 N ATOM 1115 CA MET A 72 -4.373 6.401 1.651 1.00 0.00 C ATOM 1116 C MET A 72 -3.651 5.289 0.906 1.00 0.00 C ATOM 1117 O MET A 72 -2.829 4.593 1.503 1.00 0.00 O ATOM 1118 CB MET A 72 -4.098 7.729 0.935 1.00 0.00 C ATOM 1119 CG MET A 72 -4.674 8.971 1.601 1.00 0.00 C ATOM 1120 SD MET A 72 -3.740 9.507 3.049 1.00 0.00 S ATOM 1121 CE MET A 72 -2.086 9.587 2.372 1.00 0.00 C ATOM 0 H MET A 72 -2.918 6.190 3.138 1.00 0.00 H new ATOM 0 HA MET A 72 -5.452 6.248 1.661 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.019 7.855 0.845 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.497 7.664 -0.077 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.702 9.783 0.875 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.704 8.771 1.896 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.624 10.534 2.650 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.491 8.764 2.767 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.133 9.512 1.286 1.00 0.00 H new ATOM 1131 N LEU A 73 -3.934 5.122 -0.385 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.205 4.144 -1.184 1.00 0.00 C ATOM 1133 C LEU A 73 -1.736 4.499 -1.268 1.00 0.00 C ATOM 1134 O LEU A 73 -1.338 5.661 -1.147 1.00 0.00 O ATOM 1135 CB LEU A 73 -3.737 4.032 -2.613 1.00 0.00 C ATOM 1136 CG LEU A 73 -4.933 3.111 -2.839 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -4.997 2.668 -4.293 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -4.886 1.914 -1.927 1.00 0.00 C ATOM 0 H LEU A 73 -4.651 5.642 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.346 3.190 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.011 5.031 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.922 3.691 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.835 3.675 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.856 2.012 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.097 3.543 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.084 2.132 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.752 1.279 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.974 1.348 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.898 2.247 -0.889 1.00 0.00 H new ATOM 1150 N VAL A 74 -0.941 3.480 -1.477 1.00 0.00 N ATOM 1151 CA VAL A 74 0.481 3.649 -1.667 1.00 0.00 C ATOM 1152 C VAL A 74 0.760 4.113 -3.083 1.00 0.00 C ATOM 1153 O VAL A 74 0.388 3.453 -4.052 1.00 0.00 O ATOM 1154 CB VAL A 74 1.255 2.360 -1.349 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.750 2.559 -1.539 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.951 1.931 0.072 1.00 0.00 C ATOM 0 H VAL A 74 -1.258 2.512 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 74 0.829 4.410 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 74 0.937 1.578 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.273 1.631 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.951 2.840 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.099 3.348 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.498 1.017 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.254 2.718 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.119 1.749 0.176 1.00 0.00 H new ATOM 1166 N GLY A 75 1.412 5.254 -3.189 1.00 0.00 N ATOM 1167 CA GLY A 75 1.585 5.897 -4.467 1.00 0.00 C ATOM 1168 C GLY A 75 0.780 7.173 -4.540 1.00 0.00 C ATOM 1169 O GLY A 75 0.806 7.878 -5.551 1.00 0.00 O ATOM 0 H GLY A 75 1.829 5.751 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.640 6.118 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.276 5.221 -5.264 1.00 0.00 H new ATOM 1173 N ASP A 76 0.053 7.463 -3.458 1.00 0.00 N ATOM 1174 CA ASP A 76 -0.727 8.700 -3.362 1.00 0.00 C ATOM 1175 C ASP A 76 0.175 9.912 -3.569 1.00 0.00 C ATOM 1176 O ASP A 76 -0.154 10.825 -4.326 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.433 8.797 -2.004 1.00 0.00 C ATOM 1178 CG ASP A 76 -2.328 10.018 -1.900 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -3.489 9.951 -2.364 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -1.881 11.050 -1.361 1.00 0.00 O ATOM 0 H ASP A 76 -0.012 6.860 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.486 8.684 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.029 7.899 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.686 8.830 -1.211 1.00 0.00 H new ATOM 1185 N VAL A 77 1.317 9.907 -2.894 1.00 0.00 N ATOM 1186 CA VAL A 77 2.331 10.930 -3.093 1.00 0.00 C ATOM 1187 C VAL A 77 3.525 10.316 -3.827 1.00 0.00 C ATOM 1188 O VAL A 77 3.723 9.100 -3.769 1.00 0.00 O ATOM 1189 CB VAL A 77 2.790 11.556 -1.751 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.595 12.080 -0.972 1.00 0.00 C ATOM 1191 CG2 VAL A 77 3.575 10.562 -0.911 1.00 0.00 C ATOM 0 H VAL A 77 1.564 9.201 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 77 1.898 11.732 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 77 3.452 12.390 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.936 12.516 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.082 12.841 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.909 11.259 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.880 11.035 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.949 9.697 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.459 10.240 -1.461 1.00 0.00 H new ATOM 1201 N PRO A 78 4.312 11.134 -4.548 1.00 0.00 N ATOM 1202 CA PRO A 78 5.457 10.652 -5.333 1.00 0.00 C ATOM 1203 C PRO A 78 6.450 9.836 -4.506 1.00 0.00 C ATOM 1204 O PRO A 78 6.779 10.214 -3.380 1.00 0.00 O ATOM 1205 CB PRO A 78 6.126 11.936 -5.845 1.00 0.00 C ATOM 1206 CG PRO A 78 5.531 13.043 -5.041 1.00 0.00 C ATOM 1207 CD PRO A 78 4.150 12.588 -4.676 1.00 0.00 C ATOM 0 HA PRO A 78 5.130 9.979 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.207 11.894 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.938 12.079 -6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.125 13.241 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.498 13.969 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.807 13.041 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.422 12.848 -5.444 1.00 0.00 H new ATOM 1215 N TRP A 79 6.907 8.724 -5.085 1.00 0.00 N ATOM 1216 CA TRP A 79 7.753 7.737 -4.405 1.00 0.00 C ATOM 1217 C TRP A 79 8.819 8.377 -3.514 1.00 0.00 C ATOM 1218 O TRP A 79 8.969 7.998 -2.352 1.00 0.00 O ATOM 1219 CB TRP A 79 8.424 6.840 -5.449 1.00 0.00 C ATOM 1220 CG TRP A 79 9.127 5.653 -4.870 1.00 0.00 C ATOM 1221 CD1 TRP A 79 10.467 5.518 -4.634 1.00 0.00 C ATOM 1222 CD2 TRP A 79 8.522 4.426 -4.458 1.00 0.00 C ATOM 1223 NE1 TRP A 79 10.728 4.277 -4.103 1.00 0.00 N ATOM 1224 CE2 TRP A 79 9.550 3.589 -3.987 1.00 0.00 C ATOM 1225 CE3 TRP A 79 7.209 3.953 -4.442 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 9.304 2.308 -3.507 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 6.968 2.683 -3.967 1.00 0.00 C ATOM 1228 CH2 TRP A 79 8.009 1.871 -3.506 1.00 0.00 C ATOM 0 H TRP A 79 6.698 8.479 -6.053 1.00 0.00 H new ATOM 0 HA TRP A 79 7.106 7.151 -3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 79 7.669 6.494 -6.155 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.141 7.433 -6.016 1.00 0.00 H new ATOM 0 HD1 TRP A 79 11.211 6.275 -4.835 1.00 0.00 H new ATOM 0 HE1 TRP A 79 11.649 3.926 -3.839 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.397 4.571 -4.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.107 1.681 -3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.956 2.307 -3.950 1.00 0.00 H new ATOM 0 HH2 TRP A 79 7.785 0.879 -3.142 1.00 0.00 H new ATOM 1239 N ASP A 80 9.535 9.355 -4.061 1.00 0.00 N ATOM 1240 CA ASP A 80 10.619 10.027 -3.340 1.00 0.00 C ATOM 1241 C ASP A 80 10.152 10.566 -1.987 1.00 0.00 C ATOM 1242 O ASP A 80 10.847 10.435 -0.983 1.00 0.00 O ATOM 1243 CB ASP A 80 11.179 11.168 -4.187 1.00 0.00 C ATOM 1244 CG ASP A 80 12.343 11.872 -3.520 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.477 11.358 -3.605 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.135 12.950 -2.921 1.00 0.00 O ATOM 0 H ASP A 80 9.385 9.704 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 80 11.400 9.290 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.501 10.775 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.387 11.891 -4.385 1.00 0.00 H new ATOM 1251 N MET A 81 8.966 11.154 -1.965 1.00 0.00 N ATOM 1252 CA MET A 81 8.396 11.694 -0.734 1.00 0.00 C ATOM 1253 C MET A 81 7.724 10.590 0.067 1.00 0.00 C ATOM 1254 O MET A 81 7.556 10.694 1.283 1.00 0.00 O ATOM 1255 CB MET A 81 7.359 12.773 -1.051 1.00 0.00 C ATOM 1256 CG MET A 81 7.937 14.042 -1.649 1.00 0.00 C ATOM 1257 SD MET A 81 6.656 15.195 -2.186 1.00 0.00 S ATOM 1258 CE MET A 81 5.685 15.351 -0.686 1.00 0.00 C ATOM 0 H MET A 81 8.375 11.271 -2.788 1.00 0.00 H new ATOM 0 HA MET A 81 9.208 12.129 -0.151 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.625 12.361 -1.743 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.826 13.028 -0.135 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.575 14.530 -0.912 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.570 13.785 -2.498 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.040 16.226 -0.760 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.073 14.459 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.352 15.463 0.169 1.00 0.00 H new ATOM 1268 N PHE A 82 7.347 9.532 -0.627 1.00 0.00 N ATOM 1269 CA PHE A 82 6.543 8.478 -0.039 1.00 0.00 C ATOM 1270 C PHE A 82 7.329 7.658 0.972 1.00 0.00 C ATOM 1271 O PHE A 82 6.852 7.389 2.076 1.00 0.00 O ATOM 1272 CB PHE A 82 6.002 7.549 -1.121 1.00 0.00 C ATOM 1273 CG PHE A 82 4.778 6.830 -0.669 1.00 0.00 C ATOM 1274 CD1 PHE A 82 4.865 5.730 0.171 1.00 0.00 C ATOM 1275 CD2 PHE A 82 3.534 7.293 -1.044 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.716 5.108 0.618 1.00 0.00 C ATOM 1277 CE2 PHE A 82 2.391 6.687 -0.592 1.00 0.00 C ATOM 1278 CZ PHE A 82 2.478 5.594 0.236 1.00 0.00 C ATOM 0 H PHE A 82 7.587 9.380 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 82 5.717 8.964 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.774 8.127 -2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.769 6.825 -1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.833 5.359 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.460 8.145 -1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.783 4.245 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.424 7.068 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.578 5.113 0.590 1.00 0.00 H new ATOM 1288 N VAL A 83 8.534 7.270 0.595 1.00 0.00 N ATOM 1289 CA VAL A 83 9.313 6.334 1.392 1.00 0.00 C ATOM 1290 C VAL A 83 9.608 6.892 2.776 1.00 0.00 C ATOM 1291 O VAL A 83 9.573 6.172 3.775 1.00 0.00 O ATOM 1292 CB VAL A 83 10.649 5.989 0.723 1.00 0.00 C ATOM 1293 CG1 VAL A 83 11.213 4.740 1.353 1.00 0.00 C ATOM 1294 CG2 VAL A 83 10.497 5.819 -0.779 1.00 0.00 C ATOM 0 H VAL A 83 8.996 7.587 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 83 8.705 5.433 1.477 1.00 0.00 H new ATOM 0 HB VAL A 83 11.341 6.817 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.163 4.491 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.371 4.909 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.513 3.916 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.465 5.575 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.792 5.013 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.125 6.746 -1.214 1.00 0.00 H new ATOM 1304 N THR A 84 9.881 8.180 2.826 1.00 0.00 N ATOM 1305 CA THR A 84 10.268 8.831 4.061 1.00 0.00 C ATOM 1306 C THR A 84 9.065 9.120 4.958 1.00 0.00 C ATOM 1307 O THR A 84 9.224 9.443 6.137 1.00 0.00 O ATOM 1308 CB THR A 84 11.032 10.128 3.754 1.00 0.00 C ATOM 1309 OG1 THR A 84 10.299 10.922 2.804 1.00 0.00 O ATOM 1310 CG2 THR A 84 12.407 9.803 3.191 1.00 0.00 C ATOM 0 H THR A 84 9.841 8.801 2.018 1.00 0.00 H new ATOM 0 HA THR A 84 10.920 8.148 4.605 1.00 0.00 H new ATOM 0 HB THR A 84 11.146 10.692 4.680 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.794 11.747 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.941 10.729 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.970 9.220 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.297 9.227 2.272 1.00 0.00 H new ATOM 1318 N SER A 85 7.864 8.990 4.407 1.00 0.00 N ATOM 1319 CA SER A 85 6.658 9.304 5.156 1.00 0.00 C ATOM 1320 C SER A 85 5.891 8.045 5.573 1.00 0.00 C ATOM 1321 O SER A 85 5.249 8.028 6.626 1.00 0.00 O ATOM 1322 CB SER A 85 5.766 10.240 4.339 1.00 0.00 C ATOM 1323 OG SER A 85 5.629 9.789 3.002 1.00 0.00 O ATOM 0 H SER A 85 7.702 8.672 3.452 1.00 0.00 H new ATOM 0 HA SER A 85 6.959 9.807 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.783 10.306 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.189 11.244 4.344 1.00 0.00 H new ATOM 0 HG SER A 85 6.354 10.158 2.456 1.00 0.00 H new ATOM 1329 N CYS A 86 5.963 6.995 4.765 1.00 0.00 N ATOM 1330 CA CYS A 86 5.261 5.754 5.076 1.00 0.00 C ATOM 1331 C CYS A 86 5.926 5.028 6.236 1.00 0.00 C ATOM 1332 O CYS A 86 7.081 4.606 6.149 1.00 0.00 O ATOM 1333 CB CYS A 86 5.188 4.844 3.852 1.00 0.00 C ATOM 1334 SG CYS A 86 4.502 3.207 4.191 1.00 0.00 S ATOM 0 H CYS A 86 6.496 6.976 3.895 1.00 0.00 H new ATOM 0 HA CYS A 86 4.244 6.014 5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.582 5.329 3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.190 4.728 3.438 1.00 0.00 H new ATOM 0 HG CYS A 86 5.104 2.689 5.220 1.00 0.00 H new ATOM 1340 N LYS A 87 5.189 4.899 7.324 1.00 0.00 N ATOM 1341 CA LYS A 87 5.721 4.298 8.541 1.00 0.00 C ATOM 1342 C LYS A 87 4.943 3.044 8.951 1.00 0.00 C ATOM 1343 O LYS A 87 5.440 2.222 9.720 1.00 0.00 O ATOM 1344 CB LYS A 87 5.758 5.334 9.666 1.00 0.00 C ATOM 1345 CG LYS A 87 4.401 5.881 10.079 1.00 0.00 C ATOM 1346 CD LYS A 87 4.565 7.146 10.909 1.00 0.00 C ATOM 1347 CE LYS A 87 3.288 7.525 11.639 1.00 0.00 C ATOM 1348 NZ LYS A 87 2.900 6.499 12.641 1.00 0.00 N ATOM 0 H LYS A 87 4.218 5.202 7.393 1.00 0.00 H new ATOM 0 HA LYS A 87 6.741 3.972 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.233 4.885 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.389 6.166 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.804 6.096 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.859 5.130 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.366 7.001 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.867 7.968 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.425 8.485 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.481 7.652 10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.393 6.955 13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.281 5.793 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.753 6.030 13.006 1.00 0.00 H new ATOM 1362 N ARG A 88 3.724 2.906 8.439 1.00 0.00 N ATOM 1363 CA ARG A 88 2.923 1.699 8.643 1.00 0.00 C ATOM 1364 C ARG A 88 2.204 1.328 7.359 1.00 0.00 C ATOM 1365 O ARG A 88 1.975 2.186 6.506 1.00 0.00 O ATOM 1366 CB ARG A 88 1.893 1.893 9.753 1.00 0.00 C ATOM 1367 CG ARG A 88 2.503 2.108 11.118 1.00 0.00 C ATOM 1368 CD ARG A 88 1.431 2.229 12.188 1.00 0.00 C ATOM 1369 NE ARG A 88 1.975 2.130 13.541 1.00 0.00 N ATOM 1370 CZ ARG A 88 1.695 2.982 14.527 1.00 0.00 C ATOM 1371 NH1 ARG A 88 0.984 4.078 14.285 1.00 0.00 N ATOM 1372 NH2 ARG A 88 2.159 2.754 15.748 1.00 0.00 N ATOM 0 H ARG A 88 3.264 3.621 7.875 1.00 0.00 H new ATOM 0 HA ARG A 88 3.603 0.899 8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.264 2.749 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.242 1.019 9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.167 1.277 11.357 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.114 3.011 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.917 3.184 12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.686 1.447 12.041 1.00 0.00 H new ATOM 0 HE ARG A 88 2.610 1.358 13.744 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.650 4.271 13.341 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.773 4.727 15.043 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.729 1.928 15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.946 3.405 16.504 1.00 0.00 H new ATOM 1386 N LEU A 89 1.844 0.056 7.229 1.00 0.00 N ATOM 1387 CA LEU A 89 1.267 -0.448 5.994 1.00 0.00 C ATOM 1388 C LEU A 89 0.068 -1.353 6.272 1.00 0.00 C ATOM 1389 O LEU A 89 0.100 -2.185 7.173 1.00 0.00 O ATOM 1390 CB LEU A 89 2.334 -1.234 5.227 1.00 0.00 C ATOM 1391 CG LEU A 89 2.268 -1.111 3.711 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.641 0.293 3.265 1.00 0.00 C ATOM 1393 CD2 LEU A 89 3.171 -2.137 3.053 1.00 0.00 C ATOM 0 H LEU A 89 1.943 -0.643 7.965 1.00 0.00 H new ATOM 0 HA LEU A 89 0.922 0.399 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.317 -0.900 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.248 -2.287 5.494 1.00 0.00 H new ATOM 0 HG LEU A 89 1.242 -1.305 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.587 0.356 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.949 1.011 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.656 0.521 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.110 -2.034 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.200 -1.977 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.853 -3.139 3.340 1.00 0.00 H new ATOM 1405 N ARG A 90 -1.010 -1.158 5.539 1.00 0.00 N ATOM 1406 CA ARG A 90 -2.107 -2.110 5.560 1.00 0.00 C ATOM 1407 C ARG A 90 -2.689 -2.307 4.175 1.00 0.00 C ATOM 1408 O ARG A 90 -3.117 -1.356 3.534 1.00 0.00 O ATOM 1409 CB ARG A 90 -3.224 -1.701 6.522 1.00 0.00 C ATOM 1410 CG ARG A 90 -4.484 -2.533 6.318 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.437 -2.456 7.490 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.917 -1.097 7.745 1.00 0.00 N ATOM 1413 CZ ARG A 90 -7.015 -0.828 8.454 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -7.749 -1.821 8.945 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -7.384 0.429 8.665 1.00 0.00 N ATOM 0 H ARG A 90 -1.151 -0.356 4.925 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.682 -3.049 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.877 -1.813 7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.458 -0.646 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.996 -2.193 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.203 -3.573 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.290 -3.108 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.938 -2.833 8.383 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.385 -0.316 7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.473 -2.789 8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.588 -1.615 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.828 1.195 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.224 0.630 9.208 1.00 0.00 H new ATOM 1429 N ILE A 91 -2.713 -3.535 3.719 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.466 -3.872 2.533 1.00 0.00 C ATOM 1431 C ILE A 91 -4.691 -4.633 2.973 1.00 0.00 C ATOM 1432 O ILE A 91 -4.621 -5.449 3.884 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.682 -4.722 1.525 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.214 -4.274 1.473 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.337 -4.619 0.149 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.355 -5.081 0.521 1.00 0.00 C ATOM 0 H ILE A 91 -2.221 -4.318 4.149 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.713 -2.943 2.020 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.700 -5.765 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.176 -3.225 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.789 -4.341 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.779 -5.223 -0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.364 -4.981 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.337 -3.579 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.667 -4.702 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.360 -6.128 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.753 -4.995 -0.490 1.00 0.00 H new ATOM 1448 N MET A 92 -5.819 -4.302 2.404 1.00 0.00 N ATOM 1449 CA MET A 92 -7.060 -4.947 2.780 1.00 0.00 C ATOM 1450 C MET A 92 -8.099 -4.802 1.696 1.00 0.00 C ATOM 1451 O MET A 92 -7.947 -3.986 0.787 1.00 0.00 O ATOM 1452 CB MET A 92 -7.588 -4.413 4.101 1.00 0.00 C ATOM 1453 CG MET A 92 -7.902 -2.931 4.084 1.00 0.00 C ATOM 1454 SD MET A 92 -8.565 -2.358 5.655 1.00 0.00 S ATOM 1455 CE MET A 92 -8.847 -0.636 5.281 1.00 0.00 C ATOM 0 H MET A 92 -5.910 -3.591 1.678 1.00 0.00 H new ATOM 0 HA MET A 92 -6.847 -6.008 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.491 -4.962 4.369 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.852 -4.609 4.881 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.996 -2.372 3.849 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.620 -2.723 3.291 1.00 0.00 H new ATOM 0 HE1 MET A 92 -8.532 -0.024 6.126 1.00 0.00 H new ATOM 0 HE2 MET A 92 -8.273 -0.357 4.397 1.00 0.00 H new ATOM 0 HE3 MET A 92 -9.908 -0.474 5.091 1.00 0.00 H new ATOM 1465 N LYS A 93 -9.125 -5.631 1.788 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.194 -5.665 0.807 1.00 0.00 C ATOM 1467 C LYS A 93 -10.742 -4.280 0.484 1.00 0.00 C ATOM 1468 O LYS A 93 -10.906 -3.422 1.356 1.00 0.00 O ATOM 1469 CB LYS A 93 -11.306 -6.583 1.293 1.00 0.00 C ATOM 1470 CG LYS A 93 -11.208 -7.974 0.697 1.00 0.00 C ATOM 1471 CD LYS A 93 -12.213 -8.936 1.312 1.00 0.00 C ATOM 1472 CE LYS A 93 -13.644 -8.575 0.953 1.00 0.00 C ATOM 1473 NZ LYS A 93 -14.611 -9.570 1.488 1.00 0.00 N ATOM 0 H LYS A 93 -9.239 -6.301 2.548 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.775 -6.055 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.267 -6.653 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.272 -6.148 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.373 -7.919 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.200 -8.361 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.999 -9.949 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.100 -8.933 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.881 -7.587 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -13.744 -8.516 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.578 -9.292 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.400 -10.508 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.533 -9.608 2.524 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.027 -4.105 -0.803 1.00 0.00 N ATOM 1488 CA GLY A 94 -11.323 -2.798 -1.365 1.00 0.00 C ATOM 1489 C GLY A 94 -12.503 -2.117 -0.725 1.00 0.00 C ATOM 1490 O GLY A 94 -12.500 -0.902 -0.542 1.00 0.00 O ATOM 0 H GLY A 94 -11.058 -4.866 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.446 -2.160 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.512 -2.906 -2.433 1.00 0.00 H new ATOM 1494 N THR A 95 -13.495 -2.911 -0.371 1.00 0.00 N ATOM 1495 CA THR A 95 -14.731 -2.409 0.219 1.00 0.00 C ATOM 1496 C THR A 95 -14.475 -1.675 1.533 1.00 0.00 C ATOM 1497 O THR A 95 -15.295 -0.874 1.984 1.00 0.00 O ATOM 1498 CB THR A 95 -15.715 -3.562 0.476 1.00 0.00 C ATOM 1499 OG1 THR A 95 -15.067 -4.584 1.249 1.00 0.00 O ATOM 1500 CG2 THR A 95 -16.217 -4.150 -0.835 1.00 0.00 C ATOM 0 H THR A 95 -13.471 -3.925 -0.483 1.00 0.00 H new ATOM 0 HA THR A 95 -15.161 -1.706 -0.495 1.00 0.00 H new ATOM 0 HB THR A 95 -16.570 -3.171 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.032 -4.310 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.911 -4.964 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.727 -3.376 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.373 -4.532 -1.409 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.327 -1.945 2.128 1.00 0.00 N ATOM 1509 CA GLU A 96 -12.994 -1.407 3.436 1.00 0.00 C ATOM 1510 C GLU A 96 -12.123 -0.165 3.302 1.00 0.00 C ATOM 1511 O GLU A 96 -12.341 0.840 3.980 1.00 0.00 O ATOM 1512 CB GLU A 96 -12.268 -2.464 4.274 1.00 0.00 C ATOM 1513 CG GLU A 96 -12.974 -3.811 4.304 1.00 0.00 C ATOM 1514 CD GLU A 96 -14.432 -3.697 4.695 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -14.717 -3.418 5.877 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -15.302 -3.888 3.819 1.00 0.00 O ATOM 0 H GLU A 96 -12.604 -2.539 1.722 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.921 -1.129 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.261 -2.600 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.162 -2.096 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.901 -4.277 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.464 -4.469 5.008 1.00 0.00 H new ATOM 1523 N ALA A 97 -11.141 -0.236 2.412 1.00 0.00 N ATOM 1524 CA ALA A 97 -10.200 0.862 2.225 1.00 0.00 C ATOM 1525 C ALA A 97 -10.861 2.053 1.547 1.00 0.00 C ATOM 1526 O ALA A 97 -10.492 3.204 1.784 1.00 0.00 O ATOM 1527 CB ALA A 97 -9.001 0.395 1.426 1.00 0.00 C ATOM 0 H ALA A 97 -10.975 -1.042 1.809 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.864 1.187 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.306 1.225 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.502 -0.415 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.331 0.039 0.450 1.00 0.00 H new ATOM 1533 N LYS A 98 -11.861 1.774 0.727 1.00 0.00 N ATOM 1534 CA LYS A 98 -12.602 2.825 0.043 1.00 0.00 C ATOM 1535 C LYS A 98 -13.450 3.617 1.035 1.00 0.00 C ATOM 1536 O LYS A 98 -14.056 4.626 0.685 1.00 0.00 O ATOM 1537 CB LYS A 98 -13.491 2.218 -1.042 1.00 0.00 C ATOM 1538 CG LYS A 98 -14.585 1.317 -0.492 1.00 0.00 C ATOM 1539 CD LYS A 98 -15.307 0.567 -1.597 1.00 0.00 C ATOM 1540 CE LYS A 98 -16.075 1.507 -2.513 1.00 0.00 C ATOM 1541 NZ LYS A 98 -17.115 2.271 -1.775 1.00 0.00 N ATOM 0 H LYS A 98 -12.180 0.828 0.518 1.00 0.00 H new ATOM 0 HA LYS A 98 -11.889 3.506 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.948 3.022 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.871 1.645 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.150 0.603 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.302 1.917 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.584 -0.000 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.996 -0.154 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.381 2.202 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.544 0.933 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.766 2.715 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.646 1.626 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.661 3.008 -1.198 1.00 0.00 H new ATOM 1555 N GLY A 99 -13.488 3.150 2.277 1.00 0.00 N ATOM 1556 CA GLY A 99 -14.240 3.834 3.304 1.00 0.00 C ATOM 1557 C GLY A 99 -13.358 4.669 4.205 1.00 0.00 C ATOM 1558 O GLY A 99 -13.852 5.412 5.049 1.00 0.00 O ATOM 0 H GLY A 99 -13.008 2.306 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.988 4.475 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.779 3.101 3.905 1.00 0.00 H new ATOM 1562 N LEU A 100 -12.047 4.551 4.039 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.119 5.317 4.859 1.00 0.00 C ATOM 1564 C LEU A 100 -10.547 6.484 4.082 1.00 0.00 C ATOM 1565 O LEU A 100 -9.888 7.335 4.666 1.00 0.00 O ATOM 1566 CB LEU A 100 -9.986 4.423 5.387 1.00 0.00 C ATOM 1567 CG LEU A 100 -8.984 3.905 4.341 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -7.882 4.912 4.072 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -8.381 2.592 4.792 1.00 0.00 C ATOM 0 H LEU A 100 -11.606 3.939 3.352 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.674 5.709 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.434 4.981 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.433 3.564 5.888 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.533 3.751 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.195 4.509 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.319 5.838 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.340 5.113 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.674 2.239 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.862 2.737 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.172 1.854 4.921 1.00 0.00 H new ATOM 1581 N GLY A 101 -10.841 6.508 2.779 1.00 0.00 N ATOM 1582 CA GLY A 101 -10.239 7.454 1.839 1.00 0.00 C ATOM 1583 C GLY A 101 -9.810 8.776 2.439 1.00 0.00 C ATOM 1584 O GLY A 101 -10.624 9.686 2.581 1.00 0.00 O ATOM 0 H GLY A 101 -11.507 5.868 2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.370 6.982 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.953 7.651 1.040 1.00 0.00 H new ATOM 1588 N CYS A 102 -8.526 8.848 2.800 1.00 0.00 N ATOM 1589 CA CYS A 102 -7.900 10.059 3.349 1.00 0.00 C ATOM 1590 C CYS A 102 -8.795 10.767 4.358 1.00 0.00 C ATOM 1591 O CYS A 102 -9.098 11.954 4.228 1.00 0.00 O ATOM 1592 CB CYS A 102 -7.452 11.021 2.234 1.00 0.00 C ATOM 1593 SG CYS A 102 -8.675 11.335 0.938 1.00 0.00 S ATOM 0 H CYS A 102 -7.883 8.060 2.719 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.010 9.732 3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.177 11.973 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.552 10.618 1.770 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.838 10.900 1.324 1.00 0.00 H new ATOM 1599 N GLY A 103 -9.213 10.019 5.364 1.00 0.00 N ATOM 1600 CA GLY A 103 -10.039 10.566 6.404 1.00 0.00 C ATOM 1601 C GLY A 103 -11.502 10.321 6.152 1.00 0.00 C ATOM 1602 O GLY A 103 -12.324 11.234 6.233 1.00 0.00 O ATOM 0 H GLY A 103 -8.989 9.030 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.757 10.125 7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.860 11.638 6.483 1.00 0.00 H new ATOM 1606 N VAL A 104 -11.809 9.068 5.851 1.00 0.00 N ATOM 1607 CA VAL A 104 -13.178 8.609 5.604 1.00 0.00 C ATOM 1608 C VAL A 104 -13.879 9.486 4.558 1.00 0.00 C ATOM 1609 O VAL A 104 -14.942 10.059 4.806 1.00 0.00 O ATOM 1610 CB VAL A 104 -14.006 8.566 6.914 1.00 0.00 C ATOM 1611 CG1 VAL A 104 -15.320 7.824 6.710 1.00 0.00 C ATOM 1612 CG2 VAL A 104 -13.205 7.918 8.035 1.00 0.00 C ATOM 0 H VAL A 104 -11.111 8.329 5.769 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.111 7.594 5.211 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.235 9.594 7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.879 7.810 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.908 8.329 5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.115 6.801 6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.804 7.898 8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.941 6.899 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.296 8.493 8.212 1.00 0.00 H new ATOM 1622 N GLY A 105 -13.262 9.605 3.391 1.00 0.00 N ATOM 1623 CA GLY A 105 -13.850 10.380 2.318 1.00 0.00 C ATOM 1624 C GLY A 105 -13.234 10.064 0.970 1.00 0.00 C ATOM 1625 O GLY A 105 -12.525 10.886 0.393 1.00 0.00 O ATOM 0 H GLY A 105 -12.363 9.178 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -14.922 10.186 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.726 11.442 2.531 1.00 0.00 H new ATOM 1629 N SER A 106 -13.490 8.865 0.474 1.00 0.00 N ATOM 1630 CA SER A 106 -13.005 8.454 -0.836 1.00 0.00 C ATOM 1631 C SER A 106 -13.945 8.950 -1.938 1.00 0.00 C ATOM 1632 O SER A 106 -14.496 8.160 -2.704 1.00 0.00 O ATOM 1633 CB SER A 106 -12.886 6.925 -0.887 1.00 0.00 C ATOM 1634 OG SER A 106 -12.369 6.477 -2.129 1.00 0.00 O ATOM 0 H SER A 106 -14.035 8.154 0.962 1.00 0.00 H new ATOM 0 HA SER A 106 -12.022 8.895 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.238 6.584 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.866 6.479 -0.719 1.00 0.00 H new ATOM 0 HG SER A 106 -12.899 6.857 -2.860 1.00 0.00 H new ATOM 1640 N HIS A 107 -14.135 10.258 -2.008 1.00 0.00 N ATOM 1641 CA HIS A 107 -14.990 10.849 -3.027 1.00 0.00 C ATOM 1642 C HIS A 107 -14.196 11.823 -3.881 1.00 0.00 C ATOM 1643 O HIS A 107 -13.733 11.421 -4.965 1.00 0.00 O ATOM 1644 CB HIS A 107 -16.193 11.561 -2.401 1.00 0.00 C ATOM 1645 CG HIS A 107 -17.246 10.634 -1.880 1.00 0.00 C ATOM 1646 ND1 HIS A 107 -18.497 10.521 -2.448 1.00 0.00 N ATOM 1647 CD2 HIS A 107 -17.234 9.779 -0.834 1.00 0.00 C ATOM 1648 CE1 HIS A 107 -19.208 9.640 -1.769 1.00 0.00 C ATOM 1649 NE2 HIS A 107 -18.464 9.174 -0.784 1.00 0.00 N ATOM 0 H HIS A 107 -13.709 10.931 -1.371 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.364 10.042 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.844 12.193 -1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.640 12.220 -3.145 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -16.408 9.604 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -20.226 9.350 -1.983 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -18.756 8.478 -0.098 1.00 0.00 H new TER 1658 HIS A 107