USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 48 THR OG1 : rot 81:sc= 1.21 USER MOD Set 1.2: A 51 THR OG1 : rot 75:sc= 0.491 USER MOD Set 2.1: A 7 CYS SG : rot 168:sc= -2.7! USER MOD Set 2.2: A 12 CYS SG : rot 83:sc= 0.246 USER MOD Set 2.3: A 59 CYS SG : rot -60:sc= 1.07 USER MOD Set 2.4: A 62 HIS : no HE2:sc= -0.918 K(o=-2.3,f=-3.8) USER MOD Set 3.1: A 6 THR OG1 : rot 116:sc= 0.654 USER MOD Set 3.2: A 55 GLN :FLIP amide:sc= 0.181 F(o=-0.5!,f=0.84) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -131:sc= 1.29 (180deg=-0.428) USER MOD Single : A 26 HIS : no HD1:sc= -0.0595 X(o=-0.059,f=-0.25) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.54!,f=0) USER MOD Single : A 43 THR OG1 : rot 90:sc= 0.075 USER MOD Single : A 54 SER OG : rot -97:sc= 1.07 USER MOD Single : A 60 SER OG : rot -65:sc= 1.26 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 99:sc= 1.3 USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -0.129 (180deg=-0.724) USER MOD Single : A 83 GLN : amide:sc=-0.00646 K(o=-0.0065,f=-7.5!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 2.45 (180deg=2.3) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 8.226 -8.223 1.208 1.00 0.00 N ATOM 67 CA THR A 6 8.095 -7.893 -0.201 1.00 0.00 C ATOM 68 C THR A 6 6.977 -6.887 -0.454 1.00 0.00 C ATOM 69 O THR A 6 5.808 -7.151 -0.149 1.00 0.00 O ATOM 70 CB THR A 6 7.829 -9.161 -1.034 1.00 0.00 C ATOM 71 OG1 THR A 6 8.331 -10.314 -0.341 1.00 0.00 O ATOM 72 CG2 THR A 6 8.493 -9.056 -2.399 1.00 0.00 C ATOM 0 HA THR A 6 9.039 -7.441 -0.505 1.00 0.00 H new ATOM 0 HB THR A 6 6.753 -9.261 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.586 -10.910 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.293 -9.962 -2.972 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.093 -8.194 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.569 -8.937 -2.272 1.00 0.00 H new ATOM 80 N CYS A 7 7.346 -5.732 -0.993 1.00 0.00 N ATOM 81 CA CYS A 7 6.372 -4.771 -1.475 1.00 0.00 C ATOM 82 C CYS A 7 5.701 -5.321 -2.727 1.00 0.00 C ATOM 83 O CYS A 7 6.346 -5.969 -3.555 1.00 0.00 O ATOM 84 CB CYS A 7 7.047 -3.431 -1.783 1.00 0.00 C ATOM 85 SG CYS A 7 5.895 -2.085 -2.228 1.00 0.00 S ATOM 0 H CYS A 7 8.317 -5.441 -1.106 1.00 0.00 H new ATOM 0 HA CYS A 7 5.621 -4.605 -0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.627 -3.123 -0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.752 -3.574 -2.602 1.00 0.00 H new ATOM 0 HG CYS A 7 6.530 -0.951 -2.222 1.00 0.00 H new ATOM 90 N GLY A 8 4.416 -5.062 -2.859 1.00 0.00 N ATOM 91 CA GLY A 8 3.682 -5.544 -4.008 1.00 0.00 C ATOM 92 C GLY A 8 3.765 -4.588 -5.175 1.00 0.00 C ATOM 93 O GLY A 8 3.356 -4.920 -6.292 1.00 0.00 O ATOM 0 H GLY A 8 3.863 -4.525 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.074 -6.516 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.637 -5.692 -3.735 1.00 0.00 H new ATOM 97 N PHE A 9 4.308 -3.403 -4.921 1.00 0.00 N ATOM 98 CA PHE A 9 4.381 -2.359 -5.930 1.00 0.00 C ATOM 99 C PHE A 9 5.360 -2.740 -7.035 1.00 0.00 C ATOM 100 O PHE A 9 6.411 -3.323 -6.765 1.00 0.00 O ATOM 101 CB PHE A 9 4.797 -1.034 -5.291 1.00 0.00 C ATOM 102 CG PHE A 9 3.714 0.002 -5.317 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.725 0.015 -4.349 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.687 0.961 -6.312 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.726 0.969 -4.372 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.693 1.917 -6.341 1.00 0.00 C ATOM 107 CZ PHE A 9 1.711 1.922 -5.370 1.00 0.00 C ATOM 0 H PHE A 9 4.706 -3.143 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 9 3.392 -2.243 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.093 -1.214 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.673 -0.647 -5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.734 -0.729 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.452 0.962 -7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.959 0.969 -3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.683 2.662 -7.123 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.933 2.670 -5.392 1.00 0.00 H new ATOM 117 N PRO A 10 5.019 -2.423 -8.297 1.00 0.00 N ATOM 118 CA PRO A 10 5.863 -2.741 -9.455 1.00 0.00 C ATOM 119 C PRO A 10 7.248 -2.118 -9.353 1.00 0.00 C ATOM 120 O PRO A 10 8.234 -2.667 -9.847 1.00 0.00 O ATOM 121 CB PRO A 10 5.093 -2.159 -10.649 1.00 0.00 C ATOM 122 CG PRO A 10 4.109 -1.207 -10.056 1.00 0.00 C ATOM 123 CD PRO A 10 3.773 -1.749 -8.699 1.00 0.00 C ATOM 0 HA PRO A 10 6.041 -3.813 -9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.765 -1.650 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.590 -2.944 -11.213 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.532 -0.205 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.217 -1.131 -10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.500 -0.956 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.933 -2.442 -8.737 1.00 0.00 H new ATOM 131 N ASN A 11 7.310 -0.973 -8.708 1.00 0.00 N ATOM 132 CA ASN A 11 8.574 -0.292 -8.474 1.00 0.00 C ATOM 133 C ASN A 11 8.503 0.547 -7.209 1.00 0.00 C ATOM 134 O ASN A 11 8.118 1.718 -7.244 1.00 0.00 O ATOM 135 CB ASN A 11 8.959 0.597 -9.662 1.00 0.00 C ATOM 136 CG ASN A 11 10.294 1.294 -9.450 1.00 0.00 C ATOM 137 OD1 ASN A 11 11.311 0.649 -9.195 1.00 0.00 O ATOM 138 ND2 ASN A 11 10.299 2.613 -9.560 1.00 0.00 N ATOM 0 H ASN A 11 6.495 -0.488 -8.332 1.00 0.00 H new ATOM 0 HA ASN A 11 9.340 -1.058 -8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.007 -0.009 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.182 1.345 -9.821 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.168 3.132 -9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.434 3.110 -9.773 1.00 0.00 H new ATOM 145 N CYS A 12 8.848 -0.064 -6.088 1.00 0.00 N ATOM 146 CA CYS A 12 8.916 0.652 -4.836 1.00 0.00 C ATOM 147 C CYS A 12 10.207 1.458 -4.778 1.00 0.00 C ATOM 148 O CYS A 12 11.234 0.984 -4.286 1.00 0.00 O ATOM 149 CB CYS A 12 8.834 -0.315 -3.660 1.00 0.00 C ATOM 150 SG CYS A 12 8.646 0.508 -2.051 1.00 0.00 S ATOM 0 H CYS A 12 9.084 -1.054 -6.025 1.00 0.00 H new ATOM 0 HA CYS A 12 8.068 1.334 -4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.992 -0.990 -3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.735 -0.928 -3.642 1.00 0.00 H new ATOM 0 HG CYS A 12 7.394 0.797 -1.855 1.00 0.00 H new ATOM 155 N LYS A 13 10.146 2.678 -5.294 1.00 0.00 N ATOM 156 CA LYS A 13 11.306 3.558 -5.331 1.00 0.00 C ATOM 157 C LYS A 13 11.681 4.033 -3.932 1.00 0.00 C ATOM 158 O LYS A 13 12.724 4.650 -3.736 1.00 0.00 O ATOM 159 CB LYS A 13 11.033 4.761 -6.236 1.00 0.00 C ATOM 160 CG LYS A 13 9.979 5.711 -5.687 1.00 0.00 C ATOM 161 CD LYS A 13 8.800 5.853 -6.636 1.00 0.00 C ATOM 162 CE LYS A 13 9.178 6.641 -7.883 1.00 0.00 C ATOM 163 NZ LYS A 13 8.935 8.101 -7.726 1.00 0.00 N ATOM 0 H LYS A 13 9.300 3.083 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 13 12.144 2.990 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.962 5.310 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.713 4.403 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.627 5.346 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.426 6.690 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.442 4.864 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.978 6.353 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.231 6.473 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.605 6.269 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.408 8.456 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.382 8.270 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.845 8.599 -7.657 1.00 0.00 H new ATOM 177 N PHE A 14 10.828 3.745 -2.958 1.00 0.00 N ATOM 178 CA PHE A 14 11.086 4.136 -1.583 1.00 0.00 C ATOM 179 C PHE A 14 12.190 3.271 -0.992 1.00 0.00 C ATOM 180 O PHE A 14 13.109 3.777 -0.349 1.00 0.00 O ATOM 181 CB PHE A 14 9.812 4.029 -0.747 1.00 0.00 C ATOM 182 CG PHE A 14 8.938 5.246 -0.851 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.173 6.353 -0.051 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.888 5.284 -1.753 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.375 7.477 -0.152 1.00 0.00 C ATOM 186 CE2 PHE A 14 7.086 6.405 -1.857 1.00 0.00 C ATOM 187 CZ PHE A 14 7.331 7.502 -1.055 1.00 0.00 C ATOM 0 H PHE A 14 9.952 3.242 -3.097 1.00 0.00 H new ATOM 0 HA PHE A 14 11.414 5.175 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.246 3.154 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.081 3.870 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.987 6.337 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.694 4.428 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.568 8.335 0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.270 6.423 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.706 8.379 -1.134 1.00 0.00 H new ATOM 197 N ARG A 15 12.109 1.971 -1.251 1.00 0.00 N ATOM 198 CA ARG A 15 13.119 1.035 -0.781 1.00 0.00 C ATOM 199 C ARG A 15 14.486 1.389 -1.360 1.00 0.00 C ATOM 200 O ARG A 15 15.489 1.401 -0.644 1.00 0.00 O ATOM 201 CB ARG A 15 12.747 -0.398 -1.169 1.00 0.00 C ATOM 202 CG ARG A 15 11.505 -0.928 -0.468 1.00 0.00 C ATOM 203 CD ARG A 15 10.795 -1.977 -1.311 1.00 0.00 C ATOM 204 NE ARG A 15 11.412 -3.296 -1.180 1.00 0.00 N ATOM 205 CZ ARG A 15 12.166 -3.873 -2.112 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.357 -3.274 -3.285 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.714 -5.058 -1.867 1.00 0.00 N ATOM 0 H ARG A 15 11.353 1.542 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 15 13.166 1.104 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.590 -0.442 -2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.587 -1.054 -0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.784 -1.360 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.823 -0.103 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.749 -2.035 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.810 -1.672 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 15 11.253 -3.810 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.925 -2.369 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.936 -3.720 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.555 -5.518 -0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.294 -5.508 -2.575 1.00 0.00 H new ATOM 368 N ARG A 25 10.616 -0.132 6.545 1.00 0.00 N ATOM 369 CA ARG A 25 9.276 0.419 6.662 1.00 0.00 C ATOM 370 C ARG A 25 8.339 -0.571 7.338 1.00 0.00 C ATOM 371 O ARG A 25 8.704 -1.722 7.586 1.00 0.00 O ATOM 372 CB ARG A 25 8.732 0.768 5.274 1.00 0.00 C ATOM 373 CG ARG A 25 7.791 1.959 5.263 1.00 0.00 C ATOM 374 CD ARG A 25 8.446 3.168 4.628 1.00 0.00 C ATOM 375 NE ARG A 25 8.104 4.401 5.331 1.00 0.00 N ATOM 376 CZ ARG A 25 8.898 5.466 5.395 1.00 0.00 C ATOM 377 NH1 ARG A 25 10.096 5.451 4.818 1.00 0.00 N ATOM 378 NH2 ARG A 25 8.488 6.545 6.046 1.00 0.00 N ATOM 0 HA ARG A 25 9.331 1.320 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.570 0.973 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.209 -0.099 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.884 1.704 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.491 2.198 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.528 3.037 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.135 3.245 3.586 1.00 0.00 H new ATOM 0 HE ARG A 25 7.201 4.449 5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.412 4.618 4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.698 6.272 4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.571 6.554 6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.090 7.367 6.101 1.00 0.00 H new ATOM 392 N HIS A 26 7.136 -0.114 7.639 1.00 0.00 N ATOM 393 CA HIS A 26 6.107 -0.981 8.175 1.00 0.00 C ATOM 394 C HIS A 26 5.197 -1.433 7.047 1.00 0.00 C ATOM 395 O HIS A 26 4.375 -0.660 6.547 1.00 0.00 O ATOM 396 CB HIS A 26 5.301 -0.269 9.262 1.00 0.00 C ATOM 397 CG HIS A 26 5.718 -0.642 10.649 1.00 0.00 C ATOM 398 ND1 HIS A 26 5.708 -1.949 11.078 1.00 0.00 N ATOM 399 CD2 HIS A 26 6.165 0.151 11.650 1.00 0.00 C ATOM 400 CE1 HIS A 26 6.147 -1.921 12.326 1.00 0.00 C ATOM 401 NE2 HIS A 26 6.437 -0.671 12.715 1.00 0.00 N ATOM 0 H HIS A 26 6.849 0.858 7.520 1.00 0.00 H new ATOM 0 HA HIS A 26 6.579 -1.851 8.631 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.407 0.808 9.136 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.244 -0.503 9.133 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.285 1.224 11.617 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.258 -2.794 12.952 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.792 -0.386 13.628 1.00 0.00 H new ATOM 409 N PHE A 27 5.360 -2.677 6.641 1.00 0.00 N ATOM 410 CA PHE A 27 4.634 -3.212 5.506 1.00 0.00 C ATOM 411 C PHE A 27 3.223 -3.600 5.912 1.00 0.00 C ATOM 412 O PHE A 27 3.023 -4.516 6.713 1.00 0.00 O ATOM 413 CB PHE A 27 5.377 -4.418 4.927 1.00 0.00 C ATOM 414 CG PHE A 27 6.522 -4.045 4.029 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.651 -3.427 4.545 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.475 -4.316 2.672 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.709 -3.089 3.726 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.531 -3.982 1.849 1.00 0.00 C ATOM 419 CZ PHE A 27 8.649 -3.367 2.375 1.00 0.00 C ATOM 0 H PHE A 27 5.994 -3.341 7.085 1.00 0.00 H new ATOM 0 HA PHE A 27 4.569 -2.441 4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.754 -5.030 5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.673 -5.033 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.703 -3.207 5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.602 -4.794 2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.582 -2.608 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.483 -4.202 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.475 -3.104 1.731 1.00 0.00 H new ATOM 429 N TYR A 28 2.247 -2.895 5.367 1.00 0.00 N ATOM 430 CA TYR A 28 0.852 -3.149 5.680 1.00 0.00 C ATOM 431 C TYR A 28 0.345 -4.345 4.900 1.00 0.00 C ATOM 432 O TYR A 28 0.934 -4.745 3.895 1.00 0.00 O ATOM 433 CB TYR A 28 -0.026 -1.947 5.319 1.00 0.00 C ATOM 434 CG TYR A 28 0.268 -0.673 6.078 1.00 0.00 C ATOM 435 CD1 TYR A 28 1.045 -0.667 7.231 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.241 0.536 5.625 1.00 0.00 C ATOM 437 CE1 TYR A 28 1.303 0.510 7.908 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.013 1.714 6.293 1.00 0.00 C ATOM 439 CZ TYR A 28 0.784 1.696 7.433 1.00 0.00 C ATOM 440 OH TYR A 28 1.041 2.870 8.100 1.00 0.00 O ATOM 0 H TYR A 28 2.397 -2.137 4.701 1.00 0.00 H new ATOM 0 HA TYR A 28 0.793 -3.338 6.752 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.083 -1.747 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.068 -2.217 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.453 -1.595 7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.848 0.554 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.907 0.501 8.803 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.390 2.646 5.924 1.00 0.00 H new ATOM 0 HH TYR A 28 0.604 3.613 7.635 1.00 0.00 H new ATOM 450 N ARG A 29 -0.751 -4.910 5.364 1.00 0.00 N ATOM 451 CA ARG A 29 -1.461 -5.915 4.602 1.00 0.00 C ATOM 452 C ARG A 29 -2.624 -5.248 3.886 1.00 0.00 C ATOM 453 O ARG A 29 -3.174 -4.268 4.390 1.00 0.00 O ATOM 454 CB ARG A 29 -1.974 -7.030 5.508 1.00 0.00 C ATOM 455 CG ARG A 29 -2.374 -8.284 4.748 1.00 0.00 C ATOM 456 CD ARG A 29 -1.154 -9.079 4.315 1.00 0.00 C ATOM 457 NE ARG A 29 -0.877 -10.176 5.235 1.00 0.00 N ATOM 458 CZ ARG A 29 0.199 -10.954 5.188 1.00 0.00 C ATOM 459 NH1 ARG A 29 1.098 -10.810 4.218 1.00 0.00 N ATOM 460 NH2 ARG A 29 0.365 -11.890 6.112 1.00 0.00 N ATOM 0 H ARG A 29 -1.170 -4.689 6.268 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.780 -6.363 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.201 -7.284 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.833 -6.665 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.011 -8.905 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.961 -8.009 3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.314 -9.475 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.288 -8.419 4.263 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.560 -10.360 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.965 -10.097 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.921 -11.413 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.330 -12.007 6.850 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.187 -12.493 6.085 1.00 0.00 H new ATOM 474 N ILE A 30 -2.981 -5.762 2.720 1.00 0.00 N ATOM 475 CA ILE A 30 -4.089 -5.216 1.948 1.00 0.00 C ATOM 476 C ILE A 30 -5.388 -5.280 2.747 1.00 0.00 C ATOM 477 O ILE A 30 -5.867 -6.365 3.074 1.00 0.00 O ATOM 478 CB ILE A 30 -4.275 -5.969 0.615 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.922 -6.419 0.062 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.994 -5.088 -0.393 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.656 -7.895 0.247 1.00 0.00 C ATOM 0 H ILE A 30 -2.518 -6.560 2.285 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.847 -4.176 1.731 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.884 -6.854 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.875 -6.180 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.131 -5.851 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.118 -5.633 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.973 -4.811 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.407 -4.187 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.679 -8.144 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.671 -8.137 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.426 -8.471 -0.267 1.00 0.00 H new ATOM 493 N PRO A 31 -5.943 -4.106 3.091 1.00 0.00 N ATOM 494 CA PRO A 31 -7.181 -3.987 3.868 1.00 0.00 C ATOM 495 C PRO A 31 -8.309 -4.849 3.322 1.00 0.00 C ATOM 496 O PRO A 31 -8.897 -4.530 2.295 1.00 0.00 O ATOM 497 CB PRO A 31 -7.548 -2.513 3.718 1.00 0.00 C ATOM 498 CG PRO A 31 -6.262 -1.812 3.469 1.00 0.00 C ATOM 499 CD PRO A 31 -5.382 -2.790 2.745 1.00 0.00 C ATOM 0 HA PRO A 31 -7.037 -4.318 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.244 -2.363 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.034 -2.135 4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.418 -0.914 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.804 -1.496 4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.400 -2.620 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.343 -2.703 3.064 1.00 0.00 H new ATOM 507 N LYS A 32 -8.625 -5.929 4.020 1.00 0.00 N ATOM 508 CA LYS A 32 -9.688 -6.825 3.591 1.00 0.00 C ATOM 509 C LYS A 32 -11.030 -6.298 4.064 1.00 0.00 C ATOM 510 O LYS A 32 -12.092 -6.818 3.717 1.00 0.00 O ATOM 511 CB LYS A 32 -9.441 -8.236 4.135 1.00 0.00 C ATOM 512 CG LYS A 32 -10.157 -9.332 3.361 1.00 0.00 C ATOM 513 CD LYS A 32 -11.174 -10.052 4.231 1.00 0.00 C ATOM 514 CE LYS A 32 -11.473 -11.445 3.706 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.965 -12.346 4.780 1.00 0.00 N ATOM 0 H LYS A 32 -8.161 -6.206 4.885 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.696 -6.873 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.370 -8.437 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.760 -8.274 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.658 -8.900 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.428 -10.048 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.797 -10.120 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.096 -9.472 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.219 -11.382 2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.572 -11.867 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.158 -13.287 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.243 -12.426 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.839 -11.956 5.187 1.00 0.00 H new ATOM 529 N ARG A 33 -10.959 -5.244 4.844 1.00 0.00 N ATOM 530 CA ARG A 33 -12.136 -4.601 5.397 1.00 0.00 C ATOM 531 C ARG A 33 -12.017 -3.086 5.269 1.00 0.00 C ATOM 532 O ARG A 33 -11.185 -2.463 5.935 1.00 0.00 O ATOM 533 CB ARG A 33 -12.314 -4.992 6.864 1.00 0.00 C ATOM 534 CG ARG A 33 -13.200 -6.210 7.067 1.00 0.00 C ATOM 535 CD ARG A 33 -13.656 -6.328 8.512 1.00 0.00 C ATOM 536 NE ARG A 33 -14.937 -7.028 8.628 1.00 0.00 N ATOM 537 CZ ARG A 33 -15.891 -6.701 9.499 1.00 0.00 C ATOM 538 NH1 ARG A 33 -15.723 -5.664 10.313 1.00 0.00 N ATOM 539 NH2 ARG A 33 -17.015 -7.411 9.552 1.00 0.00 N ATOM 0 H ARG A 33 -10.080 -4.804 5.116 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.010 -4.934 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.335 -5.189 7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.741 -4.148 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.070 -6.142 6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.656 -7.110 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.899 -6.859 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.746 -5.332 8.946 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.110 -7.815 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.863 -5.117 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.454 -5.415 10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.146 -8.206 8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.745 -7.161 10.219 1.00 0.00 H new ATOM 553 N PRO A 34 -12.835 -2.472 4.396 1.00 0.00 N ATOM 554 CA PRO A 34 -13.796 -3.192 3.561 1.00 0.00 C ATOM 555 C PRO A 34 -13.158 -3.735 2.281 1.00 0.00 C ATOM 556 O PRO A 34 -12.083 -3.289 1.874 1.00 0.00 O ATOM 557 CB PRO A 34 -14.827 -2.113 3.236 1.00 0.00 C ATOM 558 CG PRO A 34 -14.047 -0.840 3.209 1.00 0.00 C ATOM 559 CD PRO A 34 -12.889 -1.017 4.162 1.00 0.00 C ATOM 0 HA PRO A 34 -14.211 -4.069 4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.310 -2.302 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.615 -2.079 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.689 -0.627 2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.670 0.002 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.958 -0.648 3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.050 -0.470 5.091 1.00 0.00 H new ATOM 567 N LEU A 35 -13.836 -4.682 1.641 1.00 0.00 N ATOM 568 CA LEU A 35 -13.305 -5.332 0.447 1.00 0.00 C ATOM 569 C LEU A 35 -13.202 -4.352 -0.719 1.00 0.00 C ATOM 570 O LEU A 35 -12.334 -4.490 -1.580 1.00 0.00 O ATOM 571 CB LEU A 35 -14.189 -6.518 0.058 1.00 0.00 C ATOM 572 CG LEU A 35 -13.451 -7.849 -0.095 1.00 0.00 C ATOM 573 CD1 LEU A 35 -13.673 -8.721 1.130 1.00 0.00 C ATOM 574 CD2 LEU A 35 -13.907 -8.571 -1.355 1.00 0.00 C ATOM 0 H LEU A 35 -14.755 -5.017 1.929 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.301 -5.690 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.967 -6.635 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.689 -6.286 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.384 -7.645 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.142 -9.665 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.298 -8.207 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.739 -8.918 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.371 -9.516 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.978 -8.766 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.699 -7.949 -2.226 1.00 0.00 H new ATOM 586 N ILE A 36 -14.080 -3.358 -0.731 1.00 0.00 N ATOM 587 CA ILE A 36 -14.091 -2.356 -1.792 1.00 0.00 C ATOM 588 C ILE A 36 -12.828 -1.500 -1.739 1.00 0.00 C ATOM 589 O ILE A 36 -12.268 -1.130 -2.773 1.00 0.00 O ATOM 590 CB ILE A 36 -15.349 -1.461 -1.698 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.605 -2.283 -2.008 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.248 -0.270 -2.643 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.452 -3.205 -3.202 1.00 0.00 C ATOM 0 H ILE A 36 -14.796 -3.223 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.116 -2.881 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.418 -1.077 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.864 -2.878 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.437 -1.603 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.146 0.341 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.375 0.328 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.150 -0.626 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.381 -3.753 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.223 -2.616 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.642 -3.910 -3.016 1.00 0.00 H new ATOM 605 N LEU A 37 -12.368 -1.216 -0.527 1.00 0.00 N ATOM 606 CA LEU A 37 -11.133 -0.469 -0.339 1.00 0.00 C ATOM 607 C LEU A 37 -9.963 -1.269 -0.892 1.00 0.00 C ATOM 608 O LEU A 37 -9.091 -0.724 -1.561 1.00 0.00 O ATOM 609 CB LEU A 37 -10.922 -0.156 1.144 1.00 0.00 C ATOM 610 CG LEU A 37 -9.524 0.341 1.519 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.341 1.795 1.126 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.290 0.164 3.005 1.00 0.00 C ATOM 0 H LEU A 37 -12.832 -1.492 0.339 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.199 0.476 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.650 0.597 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.136 -1.055 1.721 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.791 -0.252 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.339 2.124 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.472 1.900 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.080 2.407 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.292 0.521 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.034 0.735 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.375 -0.891 3.264 1.00 0.00 H new ATOM 624 N ARG A 38 -9.976 -2.570 -0.629 1.00 0.00 N ATOM 625 CA ARG A 38 -8.961 -3.477 -1.150 1.00 0.00 C ATOM 626 C ARG A 38 -9.015 -3.522 -2.676 1.00 0.00 C ATOM 627 O ARG A 38 -7.981 -3.496 -3.346 1.00 0.00 O ATOM 628 CB ARG A 38 -9.168 -4.871 -0.557 1.00 0.00 C ATOM 629 CG ARG A 38 -8.529 -6.003 -1.342 1.00 0.00 C ATOM 630 CD ARG A 38 -8.870 -7.347 -0.722 1.00 0.00 C ATOM 631 NE ARG A 38 -9.581 -8.231 -1.648 1.00 0.00 N ATOM 632 CZ ARG A 38 -10.060 -9.430 -1.312 1.00 0.00 C ATOM 633 NH1 ARG A 38 -9.893 -9.896 -0.079 1.00 0.00 N ATOM 634 NH2 ARG A 38 -10.701 -10.165 -2.211 1.00 0.00 N ATOM 0 H ARG A 38 -10.685 -3.024 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.974 -3.114 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.768 -4.881 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.238 -5.061 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.875 -5.976 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.447 -5.871 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.952 -7.834 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.483 -7.188 0.166 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.718 -7.911 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.397 -9.337 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.261 -10.813 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.828 -9.814 -3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.067 -11.082 -1.953 1.00 0.00 H new ATOM 648 N GLN A 39 -10.227 -3.565 -3.215 1.00 0.00 N ATOM 649 CA GLN A 39 -10.431 -3.560 -4.658 1.00 0.00 C ATOM 650 C GLN A 39 -9.845 -2.298 -5.280 1.00 0.00 C ATOM 651 O GLN A 39 -9.248 -2.340 -6.355 1.00 0.00 O ATOM 652 CB GLN A 39 -11.923 -3.661 -4.985 1.00 0.00 C ATOM 653 CG GLN A 39 -12.291 -4.906 -5.769 1.00 0.00 C ATOM 654 CD GLN A 39 -13.282 -5.783 -5.033 1.00 0.00 C ATOM 655 OE1 GLN A 39 -12.779 -6.791 -4.338 1.00 0.00 O flip ATOM 656 NE2 GLN A 39 -14.490 -5.558 -5.088 1.00 0.00 N flip ATOM 0 H GLN A 39 -11.089 -3.604 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.918 -4.425 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.492 -3.646 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.222 -2.781 -5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.713 -4.614 -6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.388 -5.480 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.838 -4.770 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.144 -6.159 -4.586 1.00 0.00 H new ATOM 665 N ARG A 40 -10.009 -1.175 -4.594 1.00 0.00 N ATOM 666 CA ARG A 40 -9.465 0.093 -5.062 1.00 0.00 C ATOM 667 C ARG A 40 -7.955 0.140 -4.856 1.00 0.00 C ATOM 668 O ARG A 40 -7.224 0.706 -5.670 1.00 0.00 O ATOM 669 CB ARG A 40 -10.133 1.265 -4.340 1.00 0.00 C ATOM 670 CG ARG A 40 -11.259 1.901 -5.124 1.00 0.00 C ATOM 671 CD ARG A 40 -10.741 2.583 -6.377 1.00 0.00 C ATOM 672 NE ARG A 40 -11.642 3.625 -6.858 1.00 0.00 N ATOM 673 CZ ARG A 40 -12.244 3.595 -8.044 1.00 0.00 C ATOM 674 NH1 ARG A 40 -12.085 2.548 -8.849 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.020 4.601 -8.426 1.00 0.00 N ATOM 0 H ARG A 40 -10.515 -1.116 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.672 0.177 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.520 0.917 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.380 2.023 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.990 1.140 -5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.775 2.629 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.763 3.019 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.600 1.838 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.821 4.423 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.500 1.765 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.548 2.528 -9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.157 5.402 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.479 4.574 -9.336 1.00 0.00 H new ATOM 689 N TRP A 41 -7.501 -0.484 -3.771 1.00 0.00 N ATOM 690 CA TRP A 41 -6.082 -0.549 -3.426 1.00 0.00 C ATOM 691 C TRP A 41 -5.262 -1.119 -4.577 1.00 0.00 C ATOM 692 O TRP A 41 -4.141 -0.679 -4.838 1.00 0.00 O ATOM 693 CB TRP A 41 -5.900 -1.418 -2.177 1.00 0.00 C ATOM 694 CG TRP A 41 -5.643 -0.626 -0.944 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.410 0.384 -0.442 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.534 -0.770 -0.055 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.841 0.880 0.700 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.688 0.189 0.958 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.422 -1.615 -0.024 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.775 0.328 1.996 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.515 -1.474 1.007 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.697 -0.512 2.003 1.00 0.00 C ATOM 0 H TRP A 41 -8.108 -0.960 -3.104 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.728 0.463 -3.227 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.794 -2.025 -2.031 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.070 -2.106 -2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.330 0.740 -0.881 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.215 1.641 1.267 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.275 -2.362 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.912 1.071 2.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.649 -2.119 1.044 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.969 -0.430 2.797 1.00 0.00 H new ATOM 713 N LEU A 42 -5.852 -2.075 -5.279 1.00 0.00 N ATOM 714 CA LEU A 42 -5.183 -2.780 -6.368 1.00 0.00 C ATOM 715 C LEU A 42 -4.807 -1.848 -7.521 1.00 0.00 C ATOM 716 O LEU A 42 -3.935 -2.177 -8.326 1.00 0.00 O ATOM 717 CB LEU A 42 -6.084 -3.904 -6.880 1.00 0.00 C ATOM 718 CG LEU A 42 -6.484 -4.937 -5.828 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.565 -5.856 -6.367 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.274 -5.743 -5.389 1.00 0.00 C ATOM 0 H LEU A 42 -6.809 -2.386 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.255 -3.193 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.989 -3.463 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.574 -4.416 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.882 -4.409 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.837 -6.585 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.442 -5.267 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.193 -6.377 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.576 -6.474 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.849 -6.260 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.527 -5.074 -4.962 1.00 0.00 H new ATOM 732 N THR A 43 -5.453 -0.688 -7.585 1.00 0.00 N ATOM 733 CA THR A 43 -5.223 0.270 -8.665 1.00 0.00 C ATOM 734 C THR A 43 -3.757 0.701 -8.735 1.00 0.00 C ATOM 735 O THR A 43 -3.133 0.655 -9.799 1.00 0.00 O ATOM 736 CB THR A 43 -6.121 1.516 -8.491 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.496 1.154 -8.678 1.00 0.00 O ATOM 738 CG2 THR A 43 -5.748 2.617 -9.475 1.00 0.00 C ATOM 0 H THR A 43 -6.144 -0.386 -6.898 1.00 0.00 H new ATOM 0 HA THR A 43 -5.478 -0.231 -9.599 1.00 0.00 H new ATOM 0 HB THR A 43 -5.970 1.897 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.885 0.890 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.400 3.477 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.712 2.914 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.864 2.249 -10.494 1.00 0.00 H new ATOM 746 N ALA A 44 -3.202 1.087 -7.598 1.00 0.00 N ATOM 747 CA ALA A 44 -1.852 1.629 -7.560 1.00 0.00 C ATOM 748 C ALA A 44 -0.799 0.535 -7.694 1.00 0.00 C ATOM 749 O ALA A 44 0.273 0.764 -8.252 1.00 0.00 O ATOM 750 CB ALA A 44 -1.635 2.406 -6.278 1.00 0.00 C ATOM 0 H ALA A 44 -3.664 1.036 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.743 2.300 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.621 2.806 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.350 3.227 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.777 1.745 -5.423 1.00 0.00 H new ATOM 756 N ILE A 45 -1.103 -0.651 -7.180 1.00 0.00 N ATOM 757 CA ILE A 45 -0.160 -1.764 -7.229 1.00 0.00 C ATOM 758 C ILE A 45 -0.171 -2.423 -8.598 1.00 0.00 C ATOM 759 O ILE A 45 0.781 -3.106 -8.975 1.00 0.00 O ATOM 760 CB ILE A 45 -0.469 -2.845 -6.168 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.696 -2.471 -5.333 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.739 -3.060 -5.273 1.00 0.00 C ATOM 763 CD1 ILE A 45 -2.103 -3.540 -4.341 1.00 0.00 C ATOM 0 H ILE A 45 -1.991 -0.867 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 45 0.821 -1.338 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.694 -3.776 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.490 -1.546 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.533 -2.270 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.510 -3.823 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.586 -3.385 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.989 -2.126 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.979 -3.206 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.341 -4.460 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.282 -3.725 -3.648 1.00 0.00 H new ATOM 775 N GLY A 46 -1.249 -2.208 -9.338 1.00 0.00 N ATOM 776 CA GLY A 46 -1.416 -2.883 -10.606 1.00 0.00 C ATOM 777 C GLY A 46 -1.524 -4.377 -10.407 1.00 0.00 C ATOM 778 O GLY A 46 -1.073 -5.167 -11.235 1.00 0.00 O ATOM 0 H GLY A 46 -2.010 -1.579 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.311 -2.512 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.571 -2.658 -11.257 1.00 0.00 H new ATOM 782 N ARG A 47 -2.115 -4.760 -9.286 1.00 0.00 N ATOM 783 CA ARG A 47 -2.226 -6.157 -8.916 1.00 0.00 C ATOM 784 C ARG A 47 -3.674 -6.606 -8.969 1.00 0.00 C ATOM 785 O ARG A 47 -4.588 -5.790 -8.872 1.00 0.00 O ATOM 786 CB ARG A 47 -1.660 -6.377 -7.512 1.00 0.00 C ATOM 787 CG ARG A 47 -0.171 -6.676 -7.496 1.00 0.00 C ATOM 788 CD ARG A 47 0.116 -8.057 -8.060 1.00 0.00 C ATOM 789 NE ARG A 47 1.524 -8.245 -8.422 1.00 0.00 N ATOM 790 CZ ARG A 47 2.180 -7.542 -9.350 1.00 0.00 C ATOM 791 NH1 ARG A 47 1.569 -6.588 -10.047 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.455 -7.810 -9.585 1.00 0.00 N ATOM 0 H ARG A 47 -2.528 -4.114 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.651 -6.750 -9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.850 -5.489 -6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.193 -7.202 -7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.360 -5.924 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.205 -6.612 -6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.168 -8.810 -7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.505 -8.220 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 47 2.044 -8.969 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.584 -6.383 -9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.085 -6.061 -10.752 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.926 -8.547 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.966 -7.280 -10.291 1.00 0.00 H new ATOM 806 N THR A 48 -3.881 -7.901 -9.131 1.00 0.00 N ATOM 807 CA THR A 48 -5.217 -8.461 -9.138 1.00 0.00 C ATOM 808 C THR A 48 -5.538 -9.085 -7.782 1.00 0.00 C ATOM 809 O THR A 48 -4.680 -9.130 -6.896 1.00 0.00 O ATOM 810 CB THR A 48 -5.365 -9.502 -10.259 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.101 -9.690 -10.912 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.402 -9.057 -11.276 1.00 0.00 C ATOM 0 H THR A 48 -3.136 -8.586 -9.260 1.00 0.00 H new ATOM 0 HA THR A 48 -5.926 -7.655 -9.326 1.00 0.00 H new ATOM 0 HB THR A 48 -5.695 -10.442 -9.816 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.548 -10.303 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.489 -9.810 -12.060 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.366 -8.933 -10.782 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.096 -8.108 -11.717 1.00 0.00 H new ATOM 820 N GLU A 49 -6.755 -9.583 -7.630 1.00 0.00 N ATOM 821 CA GLU A 49 -7.242 -10.049 -6.336 1.00 0.00 C ATOM 822 C GLU A 49 -6.554 -11.341 -5.908 1.00 0.00 C ATOM 823 O GLU A 49 -6.113 -11.468 -4.769 1.00 0.00 O ATOM 824 CB GLU A 49 -8.755 -10.253 -6.387 1.00 0.00 C ATOM 825 CG GLU A 49 -9.542 -8.953 -6.345 1.00 0.00 C ATOM 826 CD GLU A 49 -10.347 -8.803 -5.072 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.168 -9.695 -4.778 1.00 0.00 O ATOM 828 OE2 GLU A 49 -10.165 -7.797 -4.353 1.00 0.00 O ATOM 0 H GLU A 49 -7.429 -9.676 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.004 -9.284 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.011 -10.794 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.058 -10.880 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.854 -8.113 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.213 -8.911 -7.203 1.00 0.00 H new ATOM 835 N GLU A 50 -6.413 -12.276 -6.835 1.00 0.00 N ATOM 836 CA GLU A 50 -5.845 -13.583 -6.513 1.00 0.00 C ATOM 837 C GLU A 50 -4.329 -13.491 -6.404 1.00 0.00 C ATOM 838 O GLU A 50 -3.667 -14.412 -5.927 1.00 0.00 O ATOM 839 CB GLU A 50 -6.218 -14.620 -7.572 1.00 0.00 C ATOM 840 CG GLU A 50 -7.322 -14.171 -8.510 1.00 0.00 C ATOM 841 CD GLU A 50 -6.807 -13.318 -9.648 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.292 -13.879 -10.638 1.00 0.00 O ATOM 843 OE2 GLU A 50 -6.907 -12.078 -9.550 1.00 0.00 O ATOM 0 H GLU A 50 -6.681 -12.159 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.258 -13.898 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.332 -14.861 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.529 -15.538 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.827 -15.047 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.066 -13.608 -7.946 1.00 0.00 H new ATOM 850 N THR A 51 -3.785 -12.375 -6.857 1.00 0.00 N ATOM 851 CA THR A 51 -2.360 -12.136 -6.767 1.00 0.00 C ATOM 852 C THR A 51 -2.028 -11.390 -5.480 1.00 0.00 C ATOM 853 O THR A 51 -0.948 -11.555 -4.912 1.00 0.00 O ATOM 854 CB THR A 51 -1.863 -11.328 -7.979 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.962 -11.044 -8.857 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.798 -12.097 -8.739 1.00 0.00 C ATOM 0 H THR A 51 -4.313 -11.619 -7.292 1.00 0.00 H new ATOM 0 HA THR A 51 -1.855 -13.102 -6.761 1.00 0.00 H new ATOM 0 HB THR A 51 -1.430 -10.396 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.516 -10.335 -8.468 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.462 -11.507 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.047 -12.297 -8.080 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.213 -13.041 -9.093 1.00 0.00 H new ATOM 864 N VAL A 52 -2.978 -10.588 -5.013 1.00 0.00 N ATOM 865 CA VAL A 52 -2.779 -9.780 -3.820 1.00 0.00 C ATOM 866 C VAL A 52 -2.925 -10.613 -2.555 1.00 0.00 C ATOM 867 O VAL A 52 -2.237 -10.377 -1.562 1.00 0.00 O ATOM 868 CB VAL A 52 -3.738 -8.559 -3.801 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.967 -8.798 -2.930 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.998 -7.311 -3.347 1.00 0.00 C ATOM 0 H VAL A 52 -3.896 -10.481 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.758 -9.400 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.093 -8.414 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.605 -7.914 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.522 -9.655 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.654 -8.995 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.684 -6.464 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.603 -7.467 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.176 -7.106 -4.033 1.00 0.00 H new ATOM 880 N VAL A 53 -3.784 -11.614 -2.608 1.00 0.00 N ATOM 881 CA VAL A 53 -4.014 -12.468 -1.457 1.00 0.00 C ATOM 882 C VAL A 53 -2.941 -13.553 -1.384 1.00 0.00 C ATOM 883 O VAL A 53 -3.205 -14.736 -1.607 1.00 0.00 O ATOM 884 CB VAL A 53 -5.424 -13.106 -1.472 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.722 -13.788 -0.142 1.00 0.00 C ATOM 886 CG2 VAL A 53 -6.484 -12.058 -1.781 1.00 0.00 C ATOM 0 H VAL A 53 -4.333 -11.856 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.955 -11.839 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.446 -13.861 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.718 -14.230 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.984 -14.570 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.677 -13.053 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.468 -12.527 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.458 -11.279 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.286 -11.617 -2.758 1.00 0.00 H new ATOM 896 N SER A 54 -1.722 -13.125 -1.096 1.00 0.00 N ATOM 897 CA SER A 54 -0.602 -14.038 -0.958 1.00 0.00 C ATOM 898 C SER A 54 0.408 -13.495 0.059 1.00 0.00 C ATOM 899 O SER A 54 0.171 -13.542 1.267 1.00 0.00 O ATOM 900 CB SER A 54 0.064 -14.265 -2.322 1.00 0.00 C ATOM 901 OG SER A 54 0.415 -13.032 -2.937 1.00 0.00 O ATOM 0 H SER A 54 -1.484 -12.144 -0.953 1.00 0.00 H new ATOM 0 HA SER A 54 -0.970 -14.996 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.956 -14.878 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.613 -14.818 -2.972 1.00 0.00 H new ATOM 0 HG SER A 54 -0.281 -12.776 -3.578 1.00 0.00 H new ATOM 907 N GLN A 55 1.518 -12.967 -0.437 1.00 0.00 N ATOM 908 CA GLN A 55 2.571 -12.436 0.420 1.00 0.00 C ATOM 909 C GLN A 55 2.764 -10.944 0.166 1.00 0.00 C ATOM 910 O GLN A 55 3.727 -10.340 0.636 1.00 0.00 O ATOM 911 CB GLN A 55 3.881 -13.190 0.166 1.00 0.00 C ATOM 912 CG GLN A 55 4.606 -13.608 1.435 1.00 0.00 C ATOM 913 CD GLN A 55 5.875 -12.814 1.668 1.00 0.00 C ATOM 914 OE1 GLN A 55 6.513 -12.385 0.591 1.00 0.00 O flip ATOM 915 NE2 GLN A 55 6.280 -12.589 2.810 1.00 0.00 N flip ATOM 0 H GLN A 55 1.714 -12.894 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 55 2.278 -12.574 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.668 -14.078 -0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.543 -12.560 -0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.940 -13.481 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.851 -14.669 1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.758 -12.938 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.137 -12.054 2.951 1.00 0.00 H new ATOM 924 N LEU A 56 1.833 -10.356 -0.576 1.00 0.00 N ATOM 925 CA LEU A 56 1.939 -8.959 -0.977 1.00 0.00 C ATOM 926 C LEU A 56 1.729 -8.028 0.215 1.00 0.00 C ATOM 927 O LEU A 56 0.779 -8.187 0.986 1.00 0.00 O ATOM 928 CB LEU A 56 0.921 -8.651 -2.079 1.00 0.00 C ATOM 929 CG LEU A 56 1.523 -8.195 -3.411 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.970 -9.394 -4.233 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.519 -7.358 -4.187 1.00 0.00 C ATOM 0 H LEU A 56 0.993 -10.827 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 56 2.944 -8.789 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.320 -9.543 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.244 -7.876 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 56 2.397 -7.579 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.395 -9.050 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.722 -9.955 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.113 -10.037 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.962 -7.041 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.373 -7.952 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.247 -6.480 -3.601 1.00 0.00 H new ATOM 943 N ARG A 57 2.640 -7.077 0.373 1.00 0.00 N ATOM 944 CA ARG A 57 2.547 -6.084 1.431 1.00 0.00 C ATOM 945 C ARG A 57 2.775 -4.696 0.846 1.00 0.00 C ATOM 946 O ARG A 57 3.370 -4.566 -0.223 1.00 0.00 O ATOM 947 CB ARG A 57 3.577 -6.370 2.529 1.00 0.00 C ATOM 948 CG ARG A 57 3.362 -7.695 3.243 1.00 0.00 C ATOM 949 CD ARG A 57 2.740 -7.499 4.616 1.00 0.00 C ATOM 950 NE ARG A 57 3.223 -8.489 5.581 1.00 0.00 N ATOM 951 CZ ARG A 57 3.235 -8.304 6.904 1.00 0.00 C ATOM 952 NH1 ARG A 57 2.862 -7.145 7.425 1.00 0.00 N ATOM 953 NH2 ARG A 57 3.653 -9.280 7.703 1.00 0.00 N ATOM 0 H ARG A 57 3.459 -6.974 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 57 1.552 -6.131 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.574 -6.363 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.546 -5.564 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.717 -8.333 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.316 -8.212 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.969 -6.497 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.655 -7.569 4.536 1.00 0.00 H new ATOM 0 HE ARG A 57 3.573 -9.377 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.562 -6.384 6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.874 -7.013 8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.963 -10.167 7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.664 -9.142 8.714 1.00 0.00 H new ATOM 967 N ILE A 58 2.289 -3.668 1.530 1.00 0.00 N ATOM 968 CA ILE A 58 2.439 -2.300 1.045 1.00 0.00 C ATOM 969 C ILE A 58 3.016 -1.394 2.131 1.00 0.00 C ATOM 970 O ILE A 58 2.462 -1.288 3.224 1.00 0.00 O ATOM 971 CB ILE A 58 1.095 -1.713 0.555 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.374 -2.697 -0.377 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.322 -0.381 -0.152 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.026 -2.851 -1.735 1.00 0.00 C ATOM 0 H ILE A 58 1.791 -3.753 2.416 1.00 0.00 H new ATOM 0 HA ILE A 58 3.129 -2.341 0.202 1.00 0.00 H new ATOM 0 HB ILE A 58 0.462 -1.543 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.330 -3.673 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.654 -2.363 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.366 0.019 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.785 0.323 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.977 -0.532 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.457 -3.563 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.046 -1.886 -2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.045 -3.216 -1.610 1.00 0.00 H new ATOM 986 N CYS A 59 4.139 -0.762 1.815 1.00 0.00 N ATOM 987 CA CYS A 59 4.815 0.156 2.725 1.00 0.00 C ATOM 988 C CYS A 59 3.932 1.324 3.157 1.00 0.00 C ATOM 989 O CYS A 59 3.052 1.771 2.421 1.00 0.00 O ATOM 990 CB CYS A 59 6.073 0.682 2.044 1.00 0.00 C ATOM 991 SG CYS A 59 6.931 -0.596 1.079 1.00 0.00 S ATOM 0 H CYS A 59 4.609 -0.872 0.917 1.00 0.00 H new ATOM 0 HA CYS A 59 5.064 -0.397 3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.807 1.510 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.752 1.079 2.799 1.00 0.00 H new ATOM 0 HG CYS A 59 7.274 -1.575 1.863 1.00 0.00 H new ATOM 996 N SER A 60 4.214 1.826 4.351 1.00 0.00 N ATOM 997 CA SER A 60 3.492 2.954 4.923 1.00 0.00 C ATOM 998 C SER A 60 3.855 4.258 4.212 1.00 0.00 C ATOM 999 O SER A 60 3.162 5.267 4.343 1.00 0.00 O ATOM 1000 CB SER A 60 3.825 3.052 6.412 1.00 0.00 C ATOM 1001 OG SER A 60 4.726 2.019 6.790 1.00 0.00 O ATOM 0 H SER A 60 4.953 1.461 4.952 1.00 0.00 H new ATOM 0 HA SER A 60 2.422 2.794 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.266 4.025 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.911 2.979 7.001 1.00 0.00 H new ATOM 0 HG SER A 60 4.287 1.149 6.689 1.00 0.00 H new ATOM 1007 N ALA A 61 4.936 4.220 3.439 1.00 0.00 N ATOM 1008 CA ALA A 61 5.416 5.398 2.728 1.00 0.00 C ATOM 1009 C ALA A 61 4.570 5.679 1.497 1.00 0.00 C ATOM 1010 O ALA A 61 4.699 6.726 0.870 1.00 0.00 O ATOM 1011 CB ALA A 61 6.868 5.217 2.324 1.00 0.00 C ATOM 0 H ALA A 61 5.498 3.382 3.289 1.00 0.00 H new ATOM 0 HA ALA A 61 5.335 6.250 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.212 6.105 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.478 5.068 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.959 4.348 1.672 1.00 0.00 H new ATOM 1017 N HIS A 62 3.695 4.740 1.165 1.00 0.00 N ATOM 1018 CA HIS A 62 2.853 4.866 -0.016 1.00 0.00 C ATOM 1019 C HIS A 62 1.626 5.724 0.285 1.00 0.00 C ATOM 1020 O HIS A 62 0.707 5.831 -0.527 1.00 0.00 O ATOM 1021 CB HIS A 62 2.443 3.480 -0.518 1.00 0.00 C ATOM 1022 CG HIS A 62 3.595 2.703 -1.086 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.199 2.998 -2.296 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.289 1.652 -0.564 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.218 2.137 -2.468 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.305 1.315 -1.445 1.00 0.00 N ATOM 0 H HIS A 62 3.550 3.882 1.697 1.00 0.00 H new ATOM 0 HA HIS A 62 3.422 5.363 -0.801 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.001 2.917 0.304 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.672 3.588 -1.281 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.921 3.737 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.082 1.164 0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.873 2.123 -3.326 1.00 0.00 H new ATOM 1034 N PHE A 63 1.628 6.325 1.466 1.00 0.00 N ATOM 1035 CA PHE A 63 0.575 7.239 1.882 1.00 0.00 C ATOM 1036 C PHE A 63 1.195 8.549 2.336 1.00 0.00 C ATOM 1037 O PHE A 63 2.418 8.692 2.328 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.245 6.642 3.035 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.715 5.239 2.791 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.096 4.161 3.107 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.965 4.997 2.244 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.328 2.870 2.880 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.394 3.706 2.014 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.573 2.642 2.334 1.00 0.00 C ATOM 0 H PHE A 63 2.361 6.192 2.163 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.089 7.410 1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.359 6.659 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.112 7.277 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.072 4.335 3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.610 5.827 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.314 2.038 3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.369 3.528 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.907 1.630 2.156 1.00 0.00 H new ATOM 1054 N GLU A 64 0.356 9.506 2.713 1.00 0.00 N ATOM 1055 CA GLU A 64 0.834 10.744 3.321 1.00 0.00 C ATOM 1056 C GLU A 64 1.349 10.464 4.731 1.00 0.00 C ATOM 1057 O GLU A 64 0.611 10.585 5.712 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.282 11.794 3.374 1.00 0.00 C ATOM 1059 CG GLU A 64 -1.108 11.885 2.102 1.00 0.00 C ATOM 1060 CD GLU A 64 -2.568 12.171 2.385 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -2.854 13.048 3.228 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -3.438 11.519 1.780 1.00 0.00 O ATOM 0 H GLU A 64 -0.657 9.450 2.609 1.00 0.00 H new ATOM 0 HA GLU A 64 1.646 11.136 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.944 11.563 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.160 12.769 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.703 12.670 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.024 10.950 1.549 1.00 0.00 H new ATOM 1069 N GLY A 65 2.610 10.067 4.824 1.00 0.00 N ATOM 1070 CA GLY A 65 3.195 9.729 6.108 1.00 0.00 C ATOM 1071 C GLY A 65 2.984 8.270 6.458 1.00 0.00 C ATOM 1072 O GLY A 65 3.930 7.481 6.462 1.00 0.00 O ATOM 0 H GLY A 65 3.242 9.972 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.263 9.947 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.755 10.356 6.884 1.00 0.00 H new ATOM 1076 N GLY A 66 1.740 7.910 6.747 1.00 0.00 N ATOM 1077 CA GLY A 66 1.417 6.532 7.061 1.00 0.00 C ATOM 1078 C GLY A 66 0.059 6.400 7.717 1.00 0.00 C ATOM 1079 O GLY A 66 -0.080 5.742 8.749 1.00 0.00 O ATOM 0 H GLY A 66 0.946 8.550 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.437 5.938 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.180 6.123 7.723 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.944 7.032 7.119 1.00 0.00 N ATOM 1084 CA GLU A 67 -2.297 7.014 7.664 1.00 0.00 C ATOM 1085 C GLU A 67 -3.197 6.107 6.834 1.00 0.00 C ATOM 1086 O GLU A 67 -3.793 6.545 5.855 1.00 0.00 O ATOM 1087 CB GLU A 67 -2.891 8.427 7.695 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.975 9.469 8.311 1.00 0.00 C ATOM 1089 CD GLU A 67 -1.522 9.091 9.704 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -2.384 8.899 10.590 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -0.298 8.982 9.923 1.00 0.00 O ATOM 0 H GLU A 67 -0.846 7.565 6.255 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.240 6.630 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.135 8.730 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.826 8.405 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.102 9.604 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.493 10.427 8.348 1.00 0.00 H new ATOM 1098 N LYS A 68 -3.281 4.844 7.220 1.00 0.00 N ATOM 1099 CA LYS A 68 -4.138 3.891 6.529 1.00 0.00 C ATOM 1100 C LYS A 68 -5.423 3.671 7.318 1.00 0.00 C ATOM 1101 O LYS A 68 -5.442 2.902 8.281 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.403 2.564 6.328 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.205 1.530 5.547 1.00 0.00 C ATOM 1104 CD LYS A 68 -3.961 0.120 6.067 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.098 0.047 7.579 1.00 0.00 C ATOM 1106 NZ LYS A 68 -4.876 -1.141 8.013 1.00 0.00 N ATOM 0 H LYS A 68 -2.766 4.454 8.009 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.394 4.297 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.466 2.754 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.146 2.150 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.267 1.765 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.935 1.581 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.670 -0.566 5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.963 -0.208 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.107 0.016 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.586 0.952 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.945 -1.151 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.831 -1.099 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.398 -2.006 7.689 1.00 0.00 H new ATOM 1120 N LYS A 69 -6.490 4.355 6.929 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.775 4.159 7.575 1.00 0.00 C ATOM 1122 C LYS A 69 -8.606 3.157 6.780 1.00 0.00 C ATOM 1123 O LYS A 69 -8.252 1.978 6.702 1.00 0.00 O ATOM 1124 CB LYS A 69 -8.516 5.494 7.732 1.00 0.00 C ATOM 1125 CG LYS A 69 -8.360 6.116 9.112 1.00 0.00 C ATOM 1126 CD LYS A 69 -8.817 5.164 10.204 1.00 0.00 C ATOM 1127 CE LYS A 69 -8.972 5.874 11.538 1.00 0.00 C ATOM 1128 NZ LYS A 69 -10.305 5.625 12.148 1.00 0.00 N ATOM 0 H LYS A 69 -6.490 5.044 6.176 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.610 3.757 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.148 6.195 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.576 5.338 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.317 6.385 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.939 7.038 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.767 4.713 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.096 4.353 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.192 5.538 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.832 6.946 11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.370 6.127 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.049 5.969 11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.429 4.605 12.306 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.689 3.613 6.173 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.554 2.725 5.414 1.00 0.00 C ATOM 1144 C GLU A 70 -10.933 3.358 4.080 1.00 0.00 C ATOM 1145 O GLU A 70 -11.864 2.913 3.409 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.809 2.384 6.222 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.691 1.087 7.009 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.398 1.315 8.479 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -12.064 2.168 9.103 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -10.509 0.626 9.026 1.00 0.00 O ATOM 0 H GLU A 70 -9.989 4.588 6.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.010 1.802 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.020 3.201 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.659 2.312 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.619 0.523 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.899 0.476 6.576 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.203 4.399 3.699 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.469 5.063 2.439 1.00 0.00 C ATOM 1159 C GLY A 71 -9.206 5.417 1.682 1.00 0.00 C ATOM 1160 O GLY A 71 -9.269 5.822 0.522 1.00 0.00 O ATOM 0 H GLY A 71 -9.433 4.794 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.090 4.418 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.041 5.972 2.626 1.00 0.00 H new ATOM 1164 N ASP A 72 -8.059 5.258 2.327 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.785 5.652 1.732 1.00 0.00 C ATOM 1166 C ASP A 72 -6.222 4.544 0.856 1.00 0.00 C ATOM 1167 O ASP A 72 -5.876 3.471 1.347 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.756 6.004 2.819 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.359 6.760 3.985 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.987 6.115 4.853 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -6.201 8.001 4.046 1.00 0.00 O ATOM 0 H ASP A 72 -7.982 4.859 3.263 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.976 6.531 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.297 5.087 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.960 6.604 2.377 1.00 0.00 H new ATOM 1176 N ILE A 73 -6.149 4.809 -0.437 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.496 3.914 -1.380 1.00 0.00 C ATOM 1178 C ILE A 73 -4.043 4.345 -1.542 1.00 0.00 C ATOM 1179 O ILE A 73 -3.761 5.539 -1.661 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.205 3.944 -2.756 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.678 3.568 -2.602 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.519 3.022 -3.757 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.612 4.509 -3.325 1.00 0.00 C ATOM 0 H ILE A 73 -6.540 5.649 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.548 2.896 -0.995 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.140 4.960 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.829 2.556 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.934 3.555 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.043 3.068 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.485 3.339 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.538 1.999 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.642 4.186 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.488 5.518 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.381 4.503 -4.390 1.00 0.00 H new ATOM 1195 N PRO A 74 -3.100 3.395 -1.557 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.679 3.714 -1.636 1.00 0.00 C ATOM 1197 C PRO A 74 -1.333 4.334 -2.981 1.00 0.00 C ATOM 1198 O PRO A 74 -2.057 4.153 -3.957 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.995 2.353 -1.478 1.00 0.00 C ATOM 1200 CG PRO A 74 -2.010 1.370 -1.939 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.341 1.947 -1.552 1.00 0.00 C ATOM 0 HA PRO A 74 -1.368 4.439 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.085 2.294 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.708 2.171 -0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.947 1.219 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.854 0.398 -1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.121 1.667 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.661 1.596 -0.571 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.253 5.080 -3.032 1.00 0.00 N ATOM 1210 CA VAL A 75 0.209 5.645 -4.285 1.00 0.00 C ATOM 1211 C VAL A 75 1.688 5.337 -4.478 1.00 0.00 C ATOM 1212 O VAL A 75 2.384 4.999 -3.518 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.032 7.171 -4.362 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.495 7.464 -4.689 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.387 7.855 -3.070 1.00 0.00 C ATOM 0 H VAL A 75 0.323 5.311 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.370 5.185 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 75 0.585 7.575 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.648 8.542 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.750 7.016 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.133 7.043 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.207 8.927 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.193 7.451 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.448 7.678 -2.892 1.00 0.00 H new ATOM 1225 N PRO A 76 2.187 5.434 -5.718 1.00 0.00 N ATOM 1226 CA PRO A 76 3.581 5.109 -6.031 1.00 0.00 C ATOM 1227 C PRO A 76 4.544 6.068 -5.348 1.00 0.00 C ATOM 1228 O PRO A 76 5.621 5.680 -4.891 1.00 0.00 O ATOM 1229 CB PRO A 76 3.658 5.258 -7.554 1.00 0.00 C ATOM 1230 CG PRO A 76 2.506 6.126 -7.929 1.00 0.00 C ATOM 1231 CD PRO A 76 1.434 5.877 -6.905 1.00 0.00 C ATOM 0 HA PRO A 76 3.862 4.115 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.603 5.708 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.595 4.288 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.798 7.176 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.149 5.886 -8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.857 6.779 -6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.729 5.116 -7.240 1.00 0.00 H new ATOM 1239 N ASP A 77 4.119 7.315 -5.268 1.00 0.00 N ATOM 1240 CA ASP A 77 4.900 8.378 -4.665 1.00 0.00 C ATOM 1241 C ASP A 77 3.981 9.535 -4.333 1.00 0.00 C ATOM 1242 O ASP A 77 3.539 10.243 -5.231 1.00 0.00 O ATOM 1243 CB ASP A 77 5.993 8.846 -5.628 1.00 0.00 C ATOM 1244 CG ASP A 77 7.203 9.394 -4.908 1.00 0.00 C ATOM 1245 OD1 ASP A 77 7.028 10.120 -3.914 1.00 0.00 O ATOM 1246 OD2 ASP A 77 8.340 9.091 -5.337 1.00 0.00 O ATOM 0 H ASP A 77 3.213 7.621 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 77 5.374 8.007 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.297 8.012 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.588 9.614 -6.287 1.00 0.00 H new ATOM 1251 N PRO A 78 3.651 9.730 -3.048 1.00 0.00 N ATOM 1252 CA PRO A 78 2.779 10.829 -2.625 1.00 0.00 C ATOM 1253 C PRO A 78 3.396 12.196 -2.921 1.00 0.00 C ATOM 1254 O PRO A 78 2.734 13.229 -2.807 1.00 0.00 O ATOM 1255 CB PRO A 78 2.613 10.617 -1.117 1.00 0.00 C ATOM 1256 CG PRO A 78 3.735 9.724 -0.710 1.00 0.00 C ATOM 1257 CD PRO A 78 4.086 8.896 -1.917 1.00 0.00 C ATOM 0 HA PRO A 78 1.830 10.823 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.653 11.565 -0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.649 10.163 -0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.594 10.308 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.440 9.087 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.155 8.686 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.572 7.935 -1.907 1.00 0.00 H new ATOM 1265 N THR A 79 4.667 12.189 -3.300 1.00 0.00 N ATOM 1266 CA THR A 79 5.365 13.404 -3.674 1.00 0.00 C ATOM 1267 C THR A 79 5.263 13.667 -5.180 1.00 0.00 C ATOM 1268 O THR A 79 5.467 14.792 -5.639 1.00 0.00 O ATOM 1269 CB THR A 79 6.847 13.320 -3.265 1.00 0.00 C ATOM 1270 OG1 THR A 79 7.053 12.190 -2.404 1.00 0.00 O ATOM 1271 CG2 THR A 79 7.278 14.583 -2.546 1.00 0.00 C ATOM 0 H THR A 79 5.237 11.345 -3.356 1.00 0.00 H new ATOM 0 HA THR A 79 4.889 14.231 -3.147 1.00 0.00 H new ATOM 0 HB THR A 79 7.445 13.208 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.411 11.442 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.328 14.502 -2.266 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.143 15.441 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.673 14.716 -1.649 1.00 0.00 H new ATOM 1279 N VAL A 80 4.935 12.631 -5.945 1.00 0.00 N ATOM 1280 CA VAL A 80 4.830 12.753 -7.396 1.00 0.00 C ATOM 1281 C VAL A 80 3.375 12.622 -7.839 1.00 0.00 C ATOM 1282 O VAL A 80 2.849 13.473 -8.559 1.00 0.00 O ATOM 1283 CB VAL A 80 5.685 11.682 -8.113 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.354 11.619 -9.599 1.00 0.00 C ATOM 1285 CG2 VAL A 80 7.167 11.952 -7.904 1.00 0.00 C ATOM 0 H VAL A 80 4.737 11.697 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 80 5.206 13.739 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 80 5.446 10.713 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.970 10.858 -10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.301 11.367 -9.727 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.553 12.588 -10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.752 11.188 -8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.419 12.933 -8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.394 11.929 -6.838 1.00 0.00 H new ATOM 1295 N ASP A 81 2.735 11.553 -7.392 1.00 0.00 N ATOM 1296 CA ASP A 81 1.340 11.300 -7.715 1.00 0.00 C ATOM 1297 C ASP A 81 0.448 11.888 -6.630 1.00 0.00 C ATOM 1298 O ASP A 81 0.925 12.612 -5.753 1.00 0.00 O ATOM 1299 CB ASP A 81 1.086 9.793 -7.851 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.103 9.477 -8.736 1.00 0.00 C ATOM 1301 OD1 ASP A 81 0.060 9.450 -9.974 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -1.206 9.254 -8.199 1.00 0.00 O ATOM 0 H ASP A 81 3.164 10.842 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 81 1.106 11.775 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.976 9.314 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.921 9.366 -6.862 1.00 0.00 H new ATOM 1307 N LYS A 82 -0.833 11.576 -6.667 1.00 0.00 N ATOM 1308 CA LYS A 82 -1.767 12.106 -5.697 1.00 0.00 C ATOM 1309 C LYS A 82 -2.498 10.971 -4.995 1.00 0.00 C ATOM 1310 O LYS A 82 -3.282 10.260 -5.622 1.00 0.00 O ATOM 1311 CB LYS A 82 -2.761 13.044 -6.381 1.00 0.00 C ATOM 1312 CG LYS A 82 -2.429 14.517 -6.200 1.00 0.00 C ATOM 1313 CD LYS A 82 -1.644 15.067 -7.381 1.00 0.00 C ATOM 1314 CE LYS A 82 -0.352 15.739 -6.934 1.00 0.00 C ATOM 1315 NZ LYS A 82 -0.587 16.742 -5.856 1.00 0.00 N ATOM 0 H LYS A 82 -1.250 10.956 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.214 12.674 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.791 12.815 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.759 12.854 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.351 15.086 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.851 14.650 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.413 14.257 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.259 15.785 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.346 14.981 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.116 16.228 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.114 17.506 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.543 17.139 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.496 16.282 -4.928 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.187 10.789 -3.709 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.817 9.770 -2.864 1.00 0.00 C ATOM 1331 C GLN A 83 -4.297 9.609 -3.182 1.00 0.00 C ATOM 1332 O GLN A 83 -5.089 10.541 -3.010 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.639 10.115 -1.384 1.00 0.00 C ATOM 1334 CG GLN A 83 -1.763 9.124 -0.635 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.480 8.445 0.517 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -2.300 8.812 1.678 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.282 7.441 0.211 1.00 0.00 N ATOM 0 H GLN A 83 -1.487 11.348 -3.221 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.321 8.823 -3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.202 11.110 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.618 10.156 -0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.407 8.365 -1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.884 9.643 -0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.406 7.166 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.778 6.941 0.949 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.659 8.426 -3.661 1.00 0.00 N ATOM 1347 CA ILE A 84 -6.035 8.150 -4.020 1.00 0.00 C ATOM 1348 C ILE A 84 -6.843 7.838 -2.767 1.00 0.00 C ATOM 1349 O ILE A 84 -6.393 7.082 -1.910 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.163 6.970 -5.012 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.983 6.934 -5.983 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.471 7.069 -5.785 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.289 5.592 -6.034 1.00 0.00 C ATOM 0 H ILE A 84 -4.017 7.647 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.422 9.042 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.158 6.045 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.336 7.191 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.261 7.698 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.548 6.232 -6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.309 7.040 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.495 8.006 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.462 5.637 -6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.906 5.342 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.998 4.828 -6.352 1.00 0.00 H new ATOM 1365 N LYS A 85 -8.016 8.433 -2.640 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.849 8.196 -1.475 1.00 0.00 C ATOM 1367 C LYS A 85 -10.311 8.035 -1.859 1.00 0.00 C ATOM 1368 O LYS A 85 -10.825 8.748 -2.723 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.696 9.341 -0.472 1.00 0.00 C ATOM 1370 CG LYS A 85 -7.942 8.946 0.786 1.00 0.00 C ATOM 1371 CD LYS A 85 -6.610 9.669 0.885 1.00 0.00 C ATOM 1372 CE LYS A 85 -6.585 10.613 2.075 1.00 0.00 C ATOM 1373 NZ LYS A 85 -5.451 10.328 2.993 1.00 0.00 N ATOM 0 H LYS A 85 -8.411 9.079 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.517 7.266 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.175 10.169 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.685 9.705 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.548 9.176 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.774 7.869 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.804 8.941 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.429 10.230 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.513 11.641 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.524 10.530 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.558 10.889 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.445 9.316 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.556 10.579 2.527 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.973 7.090 -1.212 1.00 0.00 N ATOM 1388 CA ILE A 86 -12.404 6.896 -1.386 1.00 0.00 C ATOM 1389 C ILE A 86 -13.140 7.666 -0.300 1.00 0.00 C ATOM 1390 O ILE A 86 -12.555 7.984 0.739 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.807 5.402 -1.309 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.703 4.503 -1.867 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -14.110 5.152 -2.058 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.509 3.226 -1.079 1.00 0.00 C ATOM 0 H ILE A 86 -10.539 6.440 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.673 7.260 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.954 5.156 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.939 4.250 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.765 5.058 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.372 4.096 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.905 5.753 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.986 5.428 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.711 2.637 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.242 3.470 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.434 2.650 -1.087 1.00 0.00 H new ATOM 1406 N GLU A 87 -14.403 7.984 -0.535 1.00 0.00 N ATOM 1407 CA GLU A 87 -15.196 8.698 0.453 1.00 0.00 C ATOM 1408 C GLU A 87 -15.613 7.764 1.580 1.00 0.00 C ATOM 1409 O GLU A 87 -16.408 6.845 1.375 1.00 0.00 O ATOM 1410 CB GLU A 87 -16.435 9.323 -0.191 1.00 0.00 C ATOM 1411 CG GLU A 87 -17.290 10.125 0.782 1.00 0.00 C ATOM 1412 CD GLU A 87 -18.746 10.184 0.369 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -19.366 9.116 0.200 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -19.274 11.302 0.198 1.00 0.00 O ATOM 0 H GLU A 87 -14.899 7.760 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.579 9.496 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.121 9.974 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -17.044 8.533 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -17.216 9.682 1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.896 11.139 0.855 1.00 0.00 H new