USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 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 80:sc= 1.22 USER MOD Set 1.2: A 51 THR OG1 : rot -139:sc= 0.901 USER MOD Set 2.1: A 11 ASN : amide:sc= 1.1 K(o=2.3,f=-7.8!) USER MOD Set 2.2: A 13 LYS NZ :NH3+ 173:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 7 CYS SG : rot 127:sc= 0.0639 USER MOD Set 3.2: A 12 CYS SG : rot 79:sc= -0.0606 USER MOD Set 3.3: A 59 CYS SG : rot -124:sc= 1.18 USER MOD Set 3.4: A 62 HIS : no HE2:sc= -2.03! X(o=-0.85!,f=-0.41) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.685 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 68:sc= 0.597 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 43 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 54 SER OG : rot 180:sc= 0.115 USER MOD Single : A 55 GLN : amide:sc= 0.861 K(o=0.86,f=0) USER MOD Single : A 60 SER OG : rot 160:sc= -0.187 USER MOD Single : A 68 LYS NZ :NH3+ 140:sc= -0.275 (180deg=-1.28!) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= 2.01 (180deg=1.52) USER MOD Single : A 79 THR OG1 : rot 101:sc= 1.2 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.737 K(o=0.74,f=-6!) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 9.126 -7.791 1.860 1.00 0.00 N ATOM 67 CA THR A 6 9.401 -6.992 0.689 1.00 0.00 C ATOM 68 C THR A 6 8.112 -6.331 0.212 1.00 0.00 C ATOM 69 O THR A 6 7.033 -6.924 0.310 1.00 0.00 O ATOM 70 CB THR A 6 10.044 -7.854 -0.431 1.00 0.00 C ATOM 71 OG1 THR A 6 11.169 -7.167 -0.991 1.00 0.00 O ATOM 72 CG2 THR A 6 9.059 -8.198 -1.544 1.00 0.00 C ATOM 0 HA THR A 6 10.118 -6.213 0.947 1.00 0.00 H new ATOM 0 HB THR A 6 10.361 -8.789 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.571 -7.717 -1.696 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.561 -8.801 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.222 -8.759 -1.129 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.689 -7.279 -1.999 1.00 0.00 H new ATOM 80 N CYS A 7 8.217 -5.094 -0.257 1.00 0.00 N ATOM 81 CA CYS A 7 7.062 -4.383 -0.770 1.00 0.00 C ATOM 82 C CYS A 7 6.553 -5.060 -2.031 1.00 0.00 C ATOM 83 O CYS A 7 7.333 -5.412 -2.924 1.00 0.00 O ATOM 84 CB CYS A 7 7.405 -2.921 -1.059 1.00 0.00 C ATOM 85 SG CYS A 7 5.981 -1.787 -0.934 1.00 0.00 S ATOM 0 H CYS A 7 9.090 -4.567 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 7 6.280 -4.406 -0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.178 -2.595 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.827 -2.849 -2.061 1.00 0.00 H new ATOM 0 HG CYS A 7 6.277 -0.805 -0.135 1.00 0.00 H new ATOM 90 N GLY A 8 5.244 -5.232 -2.095 1.00 0.00 N ATOM 91 CA GLY A 8 4.625 -5.859 -3.242 1.00 0.00 C ATOM 92 C GLY A 8 4.408 -4.865 -4.355 1.00 0.00 C ATOM 93 O GLY A 8 3.918 -5.212 -5.433 1.00 0.00 O ATOM 0 H GLY A 8 4.592 -4.945 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.254 -6.675 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.670 -6.296 -2.950 1.00 0.00 H new ATOM 97 N PHE A 9 4.775 -3.622 -4.083 1.00 0.00 N ATOM 98 CA PHE A 9 4.677 -2.559 -5.061 1.00 0.00 C ATOM 99 C PHE A 9 5.758 -2.714 -6.117 1.00 0.00 C ATOM 100 O PHE A 9 6.948 -2.734 -5.799 1.00 0.00 O ATOM 101 CB PHE A 9 4.815 -1.201 -4.379 1.00 0.00 C ATOM 102 CG PHE A 9 3.740 -0.228 -4.757 1.00 0.00 C ATOM 103 CD1 PHE A 9 3.863 0.556 -5.893 1.00 0.00 C ATOM 104 CD2 PHE A 9 2.606 -0.096 -3.974 1.00 0.00 C ATOM 105 CE1 PHE A 9 2.877 1.457 -6.236 1.00 0.00 C ATOM 106 CE2 PHE A 9 1.618 0.804 -4.312 1.00 0.00 C ATOM 107 CZ PHE A 9 1.753 1.580 -5.447 1.00 0.00 C ATOM 0 H PHE A 9 5.147 -3.326 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 9 3.700 -2.619 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.801 -1.343 -3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.785 -0.774 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.740 0.460 -6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.494 -0.705 -3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.985 2.066 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.740 0.902 -3.691 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.978 2.283 -5.716 1.00 0.00 H new ATOM 117 N PRO A 10 5.362 -2.813 -7.394 1.00 0.00 N ATOM 118 CA PRO A 10 6.310 -2.959 -8.498 1.00 0.00 C ATOM 119 C PRO A 10 7.038 -1.652 -8.796 1.00 0.00 C ATOM 120 O PRO A 10 7.922 -1.595 -9.651 1.00 0.00 O ATOM 121 CB PRO A 10 5.423 -3.368 -9.675 1.00 0.00 C ATOM 122 CG PRO A 10 4.084 -2.795 -9.361 1.00 0.00 C ATOM 123 CD PRO A 10 3.961 -2.796 -7.861 1.00 0.00 C ATOM 0 HA PRO A 10 7.097 -3.681 -8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.810 -2.977 -10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.375 -4.452 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.992 -1.784 -9.757 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.291 -3.389 -9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.430 -1.914 -7.502 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.410 -3.666 -7.505 1.00 0.00 H new ATOM 131 N ASN A 11 6.660 -0.605 -8.080 1.00 0.00 N ATOM 132 CA ASN A 11 7.266 0.702 -8.258 1.00 0.00 C ATOM 133 C ASN A 11 7.637 1.306 -6.907 1.00 0.00 C ATOM 134 O ASN A 11 7.499 2.510 -6.693 1.00 0.00 O ATOM 135 CB ASN A 11 6.320 1.641 -9.014 1.00 0.00 C ATOM 136 CG ASN A 11 7.060 2.606 -9.922 1.00 0.00 C ATOM 137 OD1 ASN A 11 7.929 3.354 -9.479 1.00 0.00 O ATOM 138 ND2 ASN A 11 6.721 2.595 -11.200 1.00 0.00 N ATOM 0 H ASN A 11 5.932 -0.637 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 11 8.174 0.578 -8.848 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.625 1.049 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.725 2.206 -8.297 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.186 3.222 -11.856 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.995 1.959 -11.529 1.00 0.00 H new ATOM 145 N CYS A 12 8.093 0.467 -5.985 1.00 0.00 N ATOM 146 CA CYS A 12 8.585 0.960 -4.715 1.00 0.00 C ATOM 147 C CYS A 12 10.022 1.435 -4.877 1.00 0.00 C ATOM 148 O CYS A 12 10.974 0.674 -4.695 1.00 0.00 O ATOM 149 CB CYS A 12 8.501 -0.110 -3.624 1.00 0.00 C ATOM 150 SG CYS A 12 8.797 0.530 -1.939 1.00 0.00 S ATOM 0 H CYS A 12 8.130 -0.546 -6.095 1.00 0.00 H new ATOM 0 HA CYS A 12 7.955 1.794 -4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.515 -0.574 -3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.229 -0.892 -3.839 1.00 0.00 H new ATOM 0 HG CYS A 12 7.719 1.108 -1.499 1.00 0.00 H new ATOM 155 N LYS A 13 10.165 2.695 -5.244 1.00 0.00 N ATOM 156 CA LYS A 13 11.477 3.304 -5.423 1.00 0.00 C ATOM 157 C LYS A 13 12.031 3.770 -4.082 1.00 0.00 C ATOM 158 O LYS A 13 13.103 4.369 -4.008 1.00 0.00 O ATOM 159 CB LYS A 13 11.382 4.487 -6.395 1.00 0.00 C ATOM 160 CG LYS A 13 10.401 5.569 -5.965 1.00 0.00 C ATOM 161 CD LYS A 13 9.079 5.458 -6.711 1.00 0.00 C ATOM 162 CE LYS A 13 9.016 6.410 -7.894 1.00 0.00 C ATOM 163 NZ LYS A 13 9.183 5.700 -9.188 1.00 0.00 N ATOM 0 H LYS A 13 9.383 3.324 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 13 12.154 2.559 -5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.371 4.932 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.088 4.114 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.221 5.492 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.839 6.550 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.944 4.434 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.257 5.672 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.060 6.933 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.794 7.167 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.016 6.363 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.150 5.322 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.500 4.917 -9.245 1.00 0.00 H new ATOM 177 N PHE A 14 11.295 3.474 -3.021 1.00 0.00 N ATOM 178 CA PHE A 14 11.646 3.942 -1.691 1.00 0.00 C ATOM 179 C PHE A 14 12.626 2.992 -1.017 1.00 0.00 C ATOM 180 O PHE A 14 13.583 3.429 -0.380 1.00 0.00 O ATOM 181 CB PHE A 14 10.382 4.098 -0.845 1.00 0.00 C ATOM 182 CG PHE A 14 9.370 5.019 -1.465 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.487 6.392 -1.326 1.00 0.00 C ATOM 184 CD2 PHE A 14 8.305 4.512 -2.194 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.560 7.242 -1.898 1.00 0.00 C ATOM 186 CE2 PHE A 14 7.376 5.356 -2.768 1.00 0.00 C ATOM 187 CZ PHE A 14 7.503 6.723 -2.621 1.00 0.00 C ATOM 0 H PHE A 14 10.447 2.909 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 14 12.134 4.912 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.929 3.118 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.655 4.477 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.313 6.803 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.201 3.444 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.661 8.311 -1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.550 4.947 -3.332 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.778 7.385 -3.070 1.00 0.00 H new ATOM 197 N ARG A 15 12.399 1.693 -1.171 1.00 0.00 N ATOM 198 CA ARG A 15 13.287 0.694 -0.577 1.00 0.00 C ATOM 199 C ARG A 15 14.698 0.803 -1.156 1.00 0.00 C ATOM 200 O ARG A 15 15.691 0.598 -0.451 1.00 0.00 O ATOM 201 CB ARG A 15 12.741 -0.728 -0.782 1.00 0.00 C ATOM 202 CG ARG A 15 12.008 -0.935 -2.103 1.00 0.00 C ATOM 203 CD ARG A 15 12.606 -2.077 -2.921 1.00 0.00 C ATOM 204 NE ARG A 15 12.016 -3.382 -2.596 1.00 0.00 N ATOM 205 CZ ARG A 15 10.747 -3.728 -2.847 1.00 0.00 C ATOM 206 NH1 ARG A 15 9.913 -2.871 -3.423 1.00 0.00 N ATOM 207 NH2 ARG A 15 10.316 -4.944 -2.528 1.00 0.00 N ATOM 0 H ARG A 15 11.615 1.306 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 15 13.333 0.893 0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.569 -1.434 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.063 -0.966 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.957 -1.144 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.045 -0.015 -2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.461 -1.872 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.681 -2.117 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 15 12.616 -4.074 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.237 -1.938 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.948 -3.145 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.952 -5.612 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.350 -5.209 -2.719 1.00 0.00 H new ATOM 368 N ARG A 25 9.854 -0.326 8.100 1.00 0.00 N ATOM 369 CA ARG A 25 8.617 0.360 7.764 1.00 0.00 C ATOM 370 C ARG A 25 7.426 -0.549 8.012 1.00 0.00 C ATOM 371 O ARG A 25 7.563 -1.772 8.027 1.00 0.00 O ATOM 372 CB ARG A 25 8.633 0.804 6.299 1.00 0.00 C ATOM 373 CG ARG A 25 8.713 2.311 6.118 1.00 0.00 C ATOM 374 CD ARG A 25 8.131 2.760 4.779 1.00 0.00 C ATOM 375 NE ARG A 25 8.726 2.064 3.634 1.00 0.00 N ATOM 376 CZ ARG A 25 10.016 2.131 3.287 1.00 0.00 C ATOM 377 NH1 ARG A 25 10.858 2.910 3.960 1.00 0.00 N ATOM 378 NH2 ARG A 25 10.455 1.437 2.247 1.00 0.00 N ATOM 0 HA ARG A 25 8.530 1.241 8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.483 0.341 5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.733 0.435 5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.176 2.802 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.753 2.629 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.054 2.590 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.284 3.833 4.664 1.00 0.00 H new ATOM 0 HE ARG A 25 8.111 1.487 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.522 3.463 4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.840 2.954 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.810 0.854 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.438 1.486 1.980 1.00 0.00 H new ATOM 392 N HIS A 26 6.270 0.052 8.220 1.00 0.00 N ATOM 393 CA HIS A 26 5.046 -0.702 8.415 1.00 0.00 C ATOM 394 C HIS A 26 4.591 -1.316 7.100 1.00 0.00 C ATOM 395 O HIS A 26 4.228 -0.607 6.161 1.00 0.00 O ATOM 396 CB HIS A 26 3.942 0.190 8.979 1.00 0.00 C ATOM 397 CG HIS A 26 3.309 -0.346 10.225 1.00 0.00 C ATOM 398 ND1 HIS A 26 2.628 -1.540 10.237 1.00 0.00 N ATOM 399 CD2 HIS A 26 3.280 0.191 11.463 1.00 0.00 C ATOM 400 CE1 HIS A 26 2.200 -1.700 11.479 1.00 0.00 C ATOM 401 NE2 HIS A 26 2.572 -0.675 12.257 1.00 0.00 N ATOM 0 H HIS A 26 6.153 1.064 8.258 1.00 0.00 H new ATOM 0 HA HIS A 26 5.249 -1.498 9.131 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.356 1.176 9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.172 0.323 8.219 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.729 1.124 11.770 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.625 -2.548 11.821 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.368 -0.560 13.250 1.00 0.00 H new ATOM 409 N PHE A 27 4.624 -2.633 7.038 1.00 0.00 N ATOM 410 CA PHE A 27 4.174 -3.350 5.861 1.00 0.00 C ATOM 411 C PHE A 27 2.713 -3.722 6.036 1.00 0.00 C ATOM 412 O PHE A 27 2.371 -4.521 6.905 1.00 0.00 O ATOM 413 CB PHE A 27 5.019 -4.603 5.638 1.00 0.00 C ATOM 414 CG PHE A 27 6.314 -4.336 4.928 1.00 0.00 C ATOM 415 CD1 PHE A 27 6.339 -4.150 3.559 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.505 -4.272 5.635 1.00 0.00 C ATOM 417 CE1 PHE A 27 7.529 -3.907 2.903 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.697 -4.030 4.983 1.00 0.00 C ATOM 419 CZ PHE A 27 8.709 -3.846 3.615 1.00 0.00 C ATOM 0 H PHE A 27 4.960 -3.231 7.793 1.00 0.00 H new ATOM 0 HA PHE A 27 4.285 -2.710 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.232 -5.064 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.440 -5.324 5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.418 -4.195 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.500 -4.413 6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.536 -3.765 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.620 -3.985 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.640 -3.655 3.103 1.00 0.00 H new ATOM 429 N TYR A 28 1.862 -3.158 5.201 1.00 0.00 N ATOM 430 CA TYR A 28 0.424 -3.291 5.370 1.00 0.00 C ATOM 431 C TYR A 28 -0.055 -4.652 4.896 1.00 0.00 C ATOM 432 O TYR A 28 0.403 -5.166 3.874 1.00 0.00 O ATOM 433 CB TYR A 28 -0.305 -2.191 4.593 1.00 0.00 C ATOM 434 CG TYR A 28 -0.259 -0.831 5.257 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.856 -0.413 5.972 1.00 0.00 C ATOM 436 CD2 TYR A 28 -1.338 0.035 5.168 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.893 0.826 6.579 1.00 0.00 C ATOM 438 CE2 TYR A 28 -1.306 1.277 5.768 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.189 1.666 6.474 1.00 0.00 C ATOM 440 OH TYR A 28 -0.165 2.893 7.089 1.00 0.00 O ATOM 0 H TYR A 28 2.141 -2.600 4.394 1.00 0.00 H new ATOM 0 HA TYR A 28 0.200 -3.193 6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.133 -2.113 3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.347 -2.484 4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.710 -1.069 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.218 -0.268 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.767 1.133 7.133 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.153 1.942 5.684 1.00 0.00 H new ATOM 0 HH TYR A 28 0.492 3.469 6.645 1.00 0.00 H new ATOM 450 N ARG A 29 -0.984 -5.222 5.646 1.00 0.00 N ATOM 451 CA ARG A 29 -1.535 -6.532 5.333 1.00 0.00 C ATOM 452 C ARG A 29 -2.615 -6.415 4.263 1.00 0.00 C ATOM 453 O ARG A 29 -3.217 -7.411 3.865 1.00 0.00 O ATOM 454 CB ARG A 29 -2.107 -7.171 6.602 1.00 0.00 C ATOM 455 CG ARG A 29 -2.111 -8.688 6.576 1.00 0.00 C ATOM 456 CD ARG A 29 -0.715 -9.250 6.372 1.00 0.00 C ATOM 457 NE ARG A 29 -0.750 -10.588 5.788 1.00 0.00 N ATOM 458 CZ ARG A 29 -0.885 -10.833 4.488 1.00 0.00 C ATOM 459 NH1 ARG A 29 -0.986 -9.828 3.624 1.00 0.00 N ATOM 460 NH2 ARG A 29 -0.919 -12.083 4.048 1.00 0.00 N ATOM 0 H ARG A 29 -1.376 -4.793 6.484 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.738 -7.167 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.527 -6.833 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.128 -6.817 6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.523 -9.067 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.764 -9.037 5.776 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.146 -8.584 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.193 -9.284 7.328 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.665 -11.386 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.960 -8.864 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.089 -10.020 2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.842 -12.858 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.023 -12.270 3.051 1.00 0.00 H new ATOM 474 N ILE A 30 -2.823 -5.187 3.804 1.00 0.00 N ATOM 475 CA ILE A 30 -3.826 -4.862 2.796 1.00 0.00 C ATOM 476 C ILE A 30 -5.236 -4.998 3.364 1.00 0.00 C ATOM 477 O ILE A 30 -5.705 -6.103 3.640 1.00 0.00 O ATOM 478 CB ILE A 30 -3.676 -5.724 1.521 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.354 -5.397 0.825 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.851 -5.501 0.571 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.968 -6.392 -0.246 1.00 0.00 C ATOM 0 H ILE A 30 -2.293 -4.377 4.126 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.660 -3.823 2.511 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.674 -6.775 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.424 -4.405 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.561 -5.355 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.722 -6.118 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.780 -5.774 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.890 -4.451 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.020 -6.094 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.864 -7.382 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.741 -6.418 -1.014 1.00 0.00 H new ATOM 493 N PRO A 31 -5.902 -3.851 3.584 1.00 0.00 N ATOM 494 CA PRO A 31 -7.284 -3.810 4.042 1.00 0.00 C ATOM 495 C PRO A 31 -8.175 -4.770 3.269 1.00 0.00 C ATOM 496 O PRO A 31 -8.361 -4.625 2.064 1.00 0.00 O ATOM 497 CB PRO A 31 -7.722 -2.371 3.769 1.00 0.00 C ATOM 498 CG PRO A 31 -6.474 -1.561 3.707 1.00 0.00 C ATOM 499 CD PRO A 31 -5.335 -2.505 3.410 1.00 0.00 C ATOM 0 HA PRO A 31 -7.364 -4.105 5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.276 -2.304 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.382 -2.009 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.551 -0.797 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.306 -1.043 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.959 -2.363 2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.497 -2.339 4.088 1.00 0.00 H new ATOM 507 N LYS A 32 -8.718 -5.752 3.964 1.00 0.00 N ATOM 508 CA LYS A 32 -9.590 -6.734 3.338 1.00 0.00 C ATOM 509 C LYS A 32 -11.031 -6.440 3.699 1.00 0.00 C ATOM 510 O LYS A 32 -11.951 -7.183 3.354 1.00 0.00 O ATOM 511 CB LYS A 32 -9.209 -8.156 3.761 1.00 0.00 C ATOM 512 CG LYS A 32 -8.429 -8.232 5.065 1.00 0.00 C ATOM 513 CD LYS A 32 -7.147 -9.035 4.905 1.00 0.00 C ATOM 514 CE LYS A 32 -6.040 -8.502 5.800 1.00 0.00 C ATOM 515 NZ LYS A 32 -6.310 -8.763 7.239 1.00 0.00 N ATOM 0 H LYS A 32 -8.572 -5.893 4.964 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.472 -6.666 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.118 -8.749 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.615 -8.612 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.188 -7.225 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.051 -8.688 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.339 -10.081 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.823 -9.002 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.093 -8.964 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.931 -7.429 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.530 -8.383 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.200 -8.301 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.389 -9.788 7.397 1.00 0.00 H new ATOM 529 N ARG A 33 -11.204 -5.332 4.390 1.00 0.00 N ATOM 530 CA ARG A 33 -12.510 -4.882 4.833 1.00 0.00 C ATOM 531 C ARG A 33 -12.571 -3.359 4.759 1.00 0.00 C ATOM 532 O ARG A 33 -11.807 -2.677 5.439 1.00 0.00 O ATOM 533 CB ARG A 33 -12.779 -5.360 6.267 1.00 0.00 C ATOM 534 CG ARG A 33 -14.011 -4.744 6.912 1.00 0.00 C ATOM 535 CD ARG A 33 -13.668 -4.090 8.241 1.00 0.00 C ATOM 536 NE ARG A 33 -14.858 -3.818 9.047 1.00 0.00 N ATOM 537 CZ ARG A 33 -15.183 -2.613 9.512 1.00 0.00 C ATOM 538 NH1 ARG A 33 -14.414 -1.564 9.250 1.00 0.00 N ATOM 539 NH2 ARG A 33 -16.274 -2.459 10.247 1.00 0.00 N ATOM 0 H ARG A 33 -10.439 -4.714 4.662 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.277 -5.304 4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.890 -6.444 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.909 -5.132 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.444 -4.003 6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.767 -5.514 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.993 -4.739 8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.134 -3.157 8.058 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.477 -4.599 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.569 -1.678 8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.668 -0.643 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.865 -3.263 10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.523 -1.536 10.603 1.00 0.00 H new ATOM 553 N PRO A 34 -13.455 -2.807 3.914 1.00 0.00 N ATOM 554 CA PRO A 34 -14.323 -3.594 3.036 1.00 0.00 C ATOM 555 C PRO A 34 -13.566 -4.183 1.846 1.00 0.00 C ATOM 556 O PRO A 34 -12.458 -3.751 1.519 1.00 0.00 O ATOM 557 CB PRO A 34 -15.373 -2.582 2.552 1.00 0.00 C ATOM 558 CG PRO A 34 -15.140 -1.334 3.342 1.00 0.00 C ATOM 559 CD PRO A 34 -13.702 -1.370 3.763 1.00 0.00 C ATOM 0 HA PRO A 34 -14.750 -4.450 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.268 -2.392 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.382 -2.961 2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.348 -0.448 2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.799 -1.293 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.048 -0.922 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.538 -0.829 4.695 1.00 0.00 H new ATOM 567 N LEU A 35 -14.177 -5.164 1.195 1.00 0.00 N ATOM 568 CA LEU A 35 -13.545 -5.849 0.076 1.00 0.00 C ATOM 569 C LEU A 35 -13.455 -4.937 -1.140 1.00 0.00 C ATOM 570 O LEU A 35 -12.575 -5.103 -1.986 1.00 0.00 O ATOM 571 CB LEU A 35 -14.315 -7.119 -0.278 1.00 0.00 C ATOM 572 CG LEU A 35 -13.609 -8.421 0.098 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.465 -9.232 1.056 1.00 0.00 C ATOM 574 CD2 LEU A 35 -13.280 -9.227 -1.149 1.00 0.00 C ATOM 0 H LEU A 35 -15.111 -5.504 1.423 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.534 -6.122 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.284 -7.090 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.508 -7.123 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.674 -8.176 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.947 -10.156 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.646 -8.653 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.417 -9.470 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.778 -10.151 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.201 -9.465 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.626 -8.644 -1.797 1.00 0.00 H new ATOM 586 N ILE A 36 -14.364 -3.973 -1.223 1.00 0.00 N ATOM 587 CA ILE A 36 -14.345 -3.002 -2.311 1.00 0.00 C ATOM 588 C ILE A 36 -13.160 -2.058 -2.150 1.00 0.00 C ATOM 589 O ILE A 36 -12.478 -1.737 -3.119 1.00 0.00 O ATOM 590 CB ILE A 36 -15.658 -2.194 -2.385 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.856 -3.136 -2.541 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.616 -1.196 -3.535 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.692 -4.149 -3.660 1.00 0.00 C ATOM 0 H ILE A 36 -15.121 -3.843 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.245 -3.556 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.769 -1.638 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.015 -3.667 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.752 -2.543 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.552 -0.638 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.787 -0.505 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.479 -1.730 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.578 -4.781 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.564 -3.626 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.816 -4.767 -3.465 1.00 0.00 H new ATOM 605 N LEU A 37 -12.905 -1.632 -0.916 1.00 0.00 N ATOM 606 CA LEU A 37 -11.727 -0.825 -0.616 1.00 0.00 C ATOM 607 C LEU A 37 -10.469 -1.627 -0.935 1.00 0.00 C ATOM 608 O LEU A 37 -9.505 -1.098 -1.484 1.00 0.00 O ATOM 609 CB LEU A 37 -11.735 -0.395 0.852 1.00 0.00 C ATOM 610 CG LEU A 37 -10.358 -0.131 1.462 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.929 1.310 1.240 1.00 0.00 C ATOM 612 CD2 LEU A 37 -10.363 -0.462 2.941 1.00 0.00 C ATOM 0 H LEU A 37 -13.497 -1.832 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.741 0.075 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.335 0.510 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.232 -1.169 1.438 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.637 -0.777 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.946 1.470 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.882 1.515 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.651 1.980 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.376 -0.269 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.101 0.158 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.616 -1.513 3.078 1.00 0.00 H new ATOM 624 N ARG A 38 -10.506 -2.912 -0.602 1.00 0.00 N ATOM 625 CA ARG A 38 -9.430 -3.838 -0.938 1.00 0.00 C ATOM 626 C ARG A 38 -9.208 -3.876 -2.452 1.00 0.00 C ATOM 627 O ARG A 38 -8.078 -3.936 -2.928 1.00 0.00 O ATOM 628 CB ARG A 38 -9.786 -5.234 -0.415 1.00 0.00 C ATOM 629 CG ARG A 38 -8.809 -6.326 -0.811 1.00 0.00 C ATOM 630 CD ARG A 38 -9.387 -7.698 -0.509 1.00 0.00 C ATOM 631 NE ARG A 38 -9.118 -8.669 -1.573 1.00 0.00 N ATOM 632 CZ ARG A 38 -9.659 -8.630 -2.792 1.00 0.00 C ATOM 633 NH1 ARG A 38 -10.485 -7.651 -3.143 1.00 0.00 N ATOM 634 NH2 ARG A 38 -9.379 -9.578 -3.667 1.00 0.00 N ATOM 0 H ARG A 38 -11.279 -3.341 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.505 -3.501 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.846 -5.196 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.778 -5.502 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.580 -6.248 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.871 -6.194 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.969 -8.066 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.464 -7.611 -0.365 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.470 -9.430 -1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.714 -6.914 -2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.890 -7.636 -4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.750 -10.339 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.792 -9.550 -4.599 1.00 0.00 H new ATOM 648 N GLN A 39 -10.308 -3.835 -3.198 1.00 0.00 N ATOM 649 CA GLN A 39 -10.262 -3.827 -4.655 1.00 0.00 C ATOM 650 C GLN A 39 -9.672 -2.512 -5.161 1.00 0.00 C ATOM 651 O GLN A 39 -8.888 -2.492 -6.111 1.00 0.00 O ATOM 652 CB GLN A 39 -11.673 -4.028 -5.215 1.00 0.00 C ATOM 653 CG GLN A 39 -11.728 -4.165 -6.725 1.00 0.00 C ATOM 654 CD GLN A 39 -12.471 -3.021 -7.383 1.00 0.00 C ATOM 655 OE1 GLN A 39 -11.979 -1.892 -7.440 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.662 -3.306 -7.881 1.00 0.00 N ATOM 0 H GLN A 39 -11.251 -3.807 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.624 -4.642 -4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.107 -4.920 -4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.295 -3.185 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.713 -4.210 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.213 -5.106 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.030 -4.255 -7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.213 -2.577 -8.335 1.00 0.00 H new ATOM 665 N ARG A 40 -10.042 -1.418 -4.508 1.00 0.00 N ATOM 666 CA ARG A 40 -9.543 -0.097 -4.871 1.00 0.00 C ATOM 667 C ARG A 40 -8.041 0.000 -4.617 1.00 0.00 C ATOM 668 O ARG A 40 -7.345 0.786 -5.256 1.00 0.00 O ATOM 669 CB ARG A 40 -10.277 0.991 -4.084 1.00 0.00 C ATOM 670 CG ARG A 40 -11.774 1.015 -4.320 1.00 0.00 C ATOM 671 CD ARG A 40 -12.139 1.843 -5.537 1.00 0.00 C ATOM 672 NE ARG A 40 -13.155 1.183 -6.355 1.00 0.00 N ATOM 673 CZ ARG A 40 -14.466 1.377 -6.217 1.00 0.00 C ATOM 674 NH1 ARG A 40 -14.921 2.245 -5.322 1.00 0.00 N ATOM 675 NH2 ARG A 40 -15.323 0.710 -6.979 1.00 0.00 N ATOM 0 H ARG A 40 -10.690 -1.419 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.728 0.053 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.089 0.846 -3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.861 1.962 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.138 -0.004 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.274 1.421 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.506 2.818 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.247 2.020 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.841 0.534 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.267 2.765 -4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.925 2.392 -5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.979 0.046 -7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.326 0.861 -6.871 1.00 0.00 H new ATOM 689 N TRP A 41 -7.550 -0.811 -3.688 1.00 0.00 N ATOM 690 CA TRP A 41 -6.130 -0.843 -3.350 1.00 0.00 C ATOM 691 C TRP A 41 -5.292 -1.347 -4.523 1.00 0.00 C ATOM 692 O TRP A 41 -4.146 -0.932 -4.706 1.00 0.00 O ATOM 693 CB TRP A 41 -5.912 -1.734 -2.125 1.00 0.00 C ATOM 694 CG TRP A 41 -5.727 -0.947 -0.872 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.591 -0.034 -0.346 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.602 -0.993 0.010 1.00 0.00 C ATOM 697 NE1 TRP A 41 -6.068 0.501 0.802 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.849 -0.072 1.043 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.406 -1.719 0.023 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.945 0.143 2.075 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.510 -1.505 1.052 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.786 -0.582 2.065 1.00 0.00 C ATOM 0 H TRP A 41 -8.121 -1.463 -3.149 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.809 0.173 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.766 -2.401 -2.008 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.037 -2.363 -2.288 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.548 0.229 -0.772 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.515 1.211 1.382 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.188 -2.433 -0.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.150 0.858 2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.583 -2.059 1.074 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.067 -0.438 2.858 1.00 0.00 H new ATOM 713 N LEU A 42 -5.879 -2.230 -5.323 1.00 0.00 N ATOM 714 CA LEU A 42 -5.193 -2.823 -6.469 1.00 0.00 C ATOM 715 C LEU A 42 -4.814 -1.773 -7.515 1.00 0.00 C ATOM 716 O LEU A 42 -3.860 -1.966 -8.269 1.00 0.00 O ATOM 717 CB LEU A 42 -6.071 -3.897 -7.122 1.00 0.00 C ATOM 718 CG LEU A 42 -6.784 -4.851 -6.159 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.427 -5.995 -6.929 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.816 -5.389 -5.116 1.00 0.00 C ATOM 0 H LEU A 42 -6.838 -2.555 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.275 -3.275 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.823 -3.401 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.450 -4.488 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.566 -4.295 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.930 -6.665 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.154 -5.595 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.659 -6.546 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.345 -6.064 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.010 -5.929 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.399 -4.560 -4.544 1.00 0.00 H new ATOM 732 N THR A 43 -5.563 -0.670 -7.550 1.00 0.00 N ATOM 733 CA THR A 43 -5.331 0.416 -8.506 1.00 0.00 C ATOM 734 C THR A 43 -3.863 0.852 -8.533 1.00 0.00 C ATOM 735 O THR A 43 -3.278 1.043 -9.601 1.00 0.00 O ATOM 736 CB THR A 43 -6.212 1.635 -8.162 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.547 1.202 -7.869 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.235 2.642 -9.304 1.00 0.00 C ATOM 0 H THR A 43 -6.346 -0.503 -6.918 1.00 0.00 H new ATOM 0 HA THR A 43 -5.594 0.033 -9.492 1.00 0.00 H new ATOM 0 HB THR A 43 -5.785 2.125 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.629 1.020 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.864 3.489 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.222 2.992 -9.501 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.636 2.167 -10.200 1.00 0.00 H new ATOM 746 N ALA A 44 -3.270 0.975 -7.356 1.00 0.00 N ATOM 747 CA ALA A 44 -1.913 1.482 -7.232 1.00 0.00 C ATOM 748 C ALA A 44 -0.878 0.451 -7.672 1.00 0.00 C ATOM 749 O ALA A 44 0.087 0.781 -8.362 1.00 0.00 O ATOM 750 CB ALA A 44 -1.653 1.901 -5.799 1.00 0.00 C ATOM 0 H ALA A 44 -3.710 0.729 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.817 2.345 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.635 2.280 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.358 2.682 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.779 1.042 -5.140 1.00 0.00 H new ATOM 756 N ILE A 45 -1.086 -0.797 -7.277 1.00 0.00 N ATOM 757 CA ILE A 45 -0.114 -1.852 -7.540 1.00 0.00 C ATOM 758 C ILE A 45 -0.222 -2.368 -8.969 1.00 0.00 C ATOM 759 O ILE A 45 0.733 -2.921 -9.511 1.00 0.00 O ATOM 760 CB ILE A 45 -0.278 -3.038 -6.564 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.485 -2.813 -5.648 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.992 -3.229 -5.747 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.762 -3.963 -4.705 1.00 0.00 C ATOM 0 H ILE A 45 -1.918 -1.105 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 45 0.869 -1.405 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.453 -3.945 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.321 -1.908 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.368 -2.640 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.862 -4.068 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.828 -3.432 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.197 -2.324 -5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.631 -3.728 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.959 -4.867 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.896 -4.124 -4.063 1.00 0.00 H new ATOM 775 N GLY A 46 -1.388 -2.187 -9.570 1.00 0.00 N ATOM 776 CA GLY A 46 -1.606 -2.661 -10.923 1.00 0.00 C ATOM 777 C GLY A 46 -1.714 -4.171 -10.975 1.00 0.00 C ATOM 778 O GLY A 46 -1.405 -4.795 -11.994 1.00 0.00 O ATOM 0 H GLY A 46 -2.189 -1.720 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.518 -2.217 -11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.785 -2.332 -11.561 1.00 0.00 H new ATOM 782 N ARG A 47 -2.144 -4.757 -9.864 1.00 0.00 N ATOM 783 CA ARG A 47 -2.308 -6.199 -9.761 1.00 0.00 C ATOM 784 C ARG A 47 -3.774 -6.536 -9.539 1.00 0.00 C ATOM 785 O ARG A 47 -4.598 -5.638 -9.375 1.00 0.00 O ATOM 786 CB ARG A 47 -1.459 -6.755 -8.613 1.00 0.00 C ATOM 787 CG ARG A 47 0.030 -6.490 -8.773 1.00 0.00 C ATOM 788 CD ARG A 47 0.866 -7.638 -8.230 1.00 0.00 C ATOM 789 NE ARG A 47 2.114 -7.174 -7.623 1.00 0.00 N ATOM 790 CZ ARG A 47 3.316 -7.698 -7.874 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.454 -8.690 -8.748 1.00 0.00 N ATOM 792 NH2 ARG A 47 4.384 -7.220 -7.251 1.00 0.00 N ATOM 0 H ARG A 47 -2.387 -4.248 -9.014 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.973 -6.658 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.799 -6.316 -7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.622 -7.830 -8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.262 -6.338 -9.827 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.294 -5.569 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.286 -8.189 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.093 -8.333 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 47 2.062 -6.398 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.637 -9.058 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.377 -9.083 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.285 -6.455 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.305 -7.617 -7.439 1.00 0.00 H new ATOM 806 N THR A 48 -4.100 -7.815 -9.531 1.00 0.00 N ATOM 807 CA THR A 48 -5.472 -8.240 -9.334 1.00 0.00 C ATOM 808 C THR A 48 -5.593 -9.134 -8.103 1.00 0.00 C ATOM 809 O THR A 48 -4.630 -9.312 -7.362 1.00 0.00 O ATOM 810 CB THR A 48 -6.020 -8.967 -10.574 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.943 -9.503 -11.354 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.854 -8.023 -11.430 1.00 0.00 C ATOM 0 H THR A 48 -3.434 -8.577 -9.659 1.00 0.00 H new ATOM 0 HA THR A 48 -6.071 -7.343 -9.175 1.00 0.00 H new ATOM 0 HB THR A 48 -6.656 -9.784 -10.233 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.634 -10.342 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.231 -8.559 -12.301 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.693 -7.646 -10.845 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.236 -7.187 -11.758 1.00 0.00 H new ATOM 820 N GLU A 49 -6.774 -9.705 -7.904 1.00 0.00 N ATOM 821 CA GLU A 49 -7.099 -10.443 -6.679 1.00 0.00 C ATOM 822 C GLU A 49 -6.271 -11.723 -6.548 1.00 0.00 C ATOM 823 O GLU A 49 -6.080 -12.243 -5.448 1.00 0.00 O ATOM 824 CB GLU A 49 -8.595 -10.783 -6.659 1.00 0.00 C ATOM 825 CG GLU A 49 -9.446 -9.866 -7.530 1.00 0.00 C ATOM 826 CD GLU A 49 -10.788 -9.529 -6.910 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.813 -8.964 -5.795 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.827 -9.820 -7.546 1.00 0.00 O ATOM 0 H GLU A 49 -7.535 -9.673 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.854 -9.804 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.729 -11.812 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.956 -10.731 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.898 -8.943 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.609 -10.342 -8.497 1.00 0.00 H new ATOM 835 N GLU A 50 -5.778 -12.227 -7.668 1.00 0.00 N ATOM 836 CA GLU A 50 -4.961 -13.439 -7.678 1.00 0.00 C ATOM 837 C GLU A 50 -3.494 -13.094 -7.483 1.00 0.00 C ATOM 838 O GLU A 50 -2.646 -13.977 -7.353 1.00 0.00 O ATOM 839 CB GLU A 50 -5.117 -14.210 -8.991 1.00 0.00 C ATOM 840 CG GLU A 50 -6.309 -13.789 -9.824 1.00 0.00 C ATOM 841 CD GLU A 50 -6.112 -12.445 -10.495 1.00 0.00 C ATOM 842 OE1 GLU A 50 -4.961 -12.098 -10.837 1.00 0.00 O ATOM 843 OE2 GLU A 50 -7.105 -11.708 -10.637 1.00 0.00 O ATOM 0 H GLU A 50 -5.928 -11.816 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.307 -14.067 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.211 -14.082 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.203 -15.273 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.500 -14.545 -10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.194 -13.746 -9.189 1.00 0.00 H new ATOM 850 N THR A 51 -3.203 -11.807 -7.473 1.00 0.00 N ATOM 851 CA THR A 51 -1.836 -11.336 -7.414 1.00 0.00 C ATOM 852 C THR A 51 -1.647 -10.366 -6.251 1.00 0.00 C ATOM 853 O THR A 51 -0.724 -9.552 -6.246 1.00 0.00 O ATOM 854 CB THR A 51 -1.463 -10.645 -8.740 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.654 -10.222 -9.421 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.692 -11.589 -9.643 1.00 0.00 C ATOM 0 H THR A 51 -3.903 -11.065 -7.505 1.00 0.00 H new ATOM 0 HA THR A 51 -1.182 -12.193 -7.257 1.00 0.00 H new ATOM 0 HB THR A 51 -0.837 -9.783 -8.508 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.565 -10.404 -10.380 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.440 -11.079 -10.573 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.223 -11.905 -9.143 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.305 -12.463 -9.864 1.00 0.00 H new ATOM 864 N VAL A 52 -2.524 -10.464 -5.260 1.00 0.00 N ATOM 865 CA VAL A 52 -2.538 -9.519 -4.156 1.00 0.00 C ATOM 866 C VAL A 52 -2.981 -10.199 -2.859 1.00 0.00 C ATOM 867 O VAL A 52 -3.362 -11.372 -2.866 1.00 0.00 O ATOM 868 CB VAL A 52 -3.471 -8.327 -4.489 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.932 -8.689 -4.262 1.00 0.00 C ATOM 870 CG2 VAL A 52 -3.086 -7.086 -3.697 1.00 0.00 C ATOM 0 H VAL A 52 -3.236 -11.192 -5.200 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.525 -9.145 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.346 -8.098 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.561 -7.832 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.202 -9.530 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.081 -8.964 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.759 -6.268 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.161 -7.297 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.062 -6.803 -3.940 1.00 0.00 H new ATOM 880 N VAL A 53 -2.896 -9.455 -1.757 1.00 0.00 N ATOM 881 CA VAL A 53 -3.362 -9.899 -0.444 1.00 0.00 C ATOM 882 C VAL A 53 -2.410 -10.911 0.198 1.00 0.00 C ATOM 883 O VAL A 53 -1.731 -10.594 1.172 1.00 0.00 O ATOM 884 CB VAL A 53 -4.794 -10.490 -0.491 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.237 -10.933 0.895 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.779 -9.478 -1.061 1.00 0.00 C ATOM 0 H VAL A 53 -2.497 -8.516 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.382 -9.001 0.174 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.778 -11.361 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.245 -11.345 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.553 -11.695 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.231 -10.077 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.777 -9.915 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.788 -8.586 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.478 -9.207 -2.073 1.00 0.00 H new ATOM 896 N SER A 54 -2.354 -12.111 -0.356 1.00 0.00 N ATOM 897 CA SER A 54 -1.621 -13.216 0.251 1.00 0.00 C ATOM 898 C SER A 54 -0.122 -12.923 0.380 1.00 0.00 C ATOM 899 O SER A 54 0.385 -12.723 1.487 1.00 0.00 O ATOM 900 CB SER A 54 -1.852 -14.481 -0.570 1.00 0.00 C ATOM 901 OG SER A 54 -3.059 -14.373 -1.315 1.00 0.00 O ATOM 0 H SER A 54 -2.812 -12.349 -1.236 1.00 0.00 H new ATOM 0 HA SER A 54 -1.998 -13.355 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.012 -14.642 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.900 -15.347 0.090 1.00 0.00 H new ATOM 0 HG SER A 54 -3.194 -15.190 -1.839 1.00 0.00 H new ATOM 907 N GLN A 55 0.573 -12.875 -0.746 1.00 0.00 N ATOM 908 CA GLN A 55 2.025 -12.726 -0.745 1.00 0.00 C ATOM 909 C GLN A 55 2.435 -11.272 -0.968 1.00 0.00 C ATOM 910 O GLN A 55 3.606 -10.976 -1.209 1.00 0.00 O ATOM 911 CB GLN A 55 2.642 -13.617 -1.826 1.00 0.00 C ATOM 912 CG GLN A 55 4.011 -14.168 -1.461 1.00 0.00 C ATOM 913 CD GLN A 55 5.055 -13.872 -2.522 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.510 -14.769 -3.229 1.00 0.00 O ATOM 915 NE2 GLN A 55 5.436 -12.611 -2.644 1.00 0.00 N ATOM 0 H GLN A 55 0.157 -12.937 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 55 2.396 -13.033 0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.967 -14.449 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.726 -13.045 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.331 -13.740 -0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.939 -15.246 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.034 -11.896 -2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.132 -12.354 -3.344 1.00 0.00 H new ATOM 924 N LEU A 56 1.474 -10.366 -0.884 1.00 0.00 N ATOM 925 CA LEU A 56 1.738 -8.964 -1.161 1.00 0.00 C ATOM 926 C LEU A 56 1.510 -8.106 0.075 1.00 0.00 C ATOM 927 O LEU A 56 0.482 -8.215 0.742 1.00 0.00 O ATOM 928 CB LEU A 56 0.864 -8.471 -2.313 1.00 0.00 C ATOM 929 CG LEU A 56 1.635 -7.896 -3.503 1.00 0.00 C ATOM 930 CD1 LEU A 56 2.243 -9.017 -4.332 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.725 -7.033 -4.364 1.00 0.00 C ATOM 0 H LEU A 56 0.509 -10.575 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 56 2.785 -8.873 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.248 -9.299 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.185 -7.707 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 56 2.441 -7.270 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.788 -8.592 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.927 -9.597 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.450 -9.666 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.292 -6.633 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.102 -7.637 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.332 -6.210 -3.767 1.00 0.00 H new ATOM 943 N ARG A 57 2.487 -7.267 0.378 1.00 0.00 N ATOM 944 CA ARG A 57 2.369 -6.296 1.453 1.00 0.00 C ATOM 945 C ARG A 57 2.785 -4.933 0.925 1.00 0.00 C ATOM 946 O ARG A 57 3.720 -4.839 0.133 1.00 0.00 O ATOM 947 CB ARG A 57 3.243 -6.691 2.650 1.00 0.00 C ATOM 948 CG ARG A 57 2.630 -7.772 3.529 1.00 0.00 C ATOM 949 CD ARG A 57 2.564 -7.342 4.987 1.00 0.00 C ATOM 950 NE ARG A 57 3.107 -8.359 5.885 1.00 0.00 N ATOM 951 CZ ARG A 57 3.586 -8.112 7.106 1.00 0.00 C ATOM 952 NH1 ARG A 57 3.558 -6.887 7.618 1.00 0.00 N ATOM 953 NH2 ARG A 57 4.077 -9.108 7.827 1.00 0.00 N ATOM 0 H ARG A 57 3.381 -7.240 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 57 1.335 -6.264 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.209 -7.038 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.432 -5.806 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.627 -8.005 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.218 -8.686 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.118 -6.412 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.528 -7.136 5.257 1.00 0.00 H new ATOM 0 HE ARG A 57 3.121 -9.324 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.166 -6.117 7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.929 -6.716 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.087 -10.055 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.445 -8.928 8.761 1.00 0.00 H new ATOM 967 N ILE A 58 2.080 -3.890 1.329 1.00 0.00 N ATOM 968 CA ILE A 58 2.377 -2.541 0.851 1.00 0.00 C ATOM 969 C ILE A 58 2.991 -1.710 1.969 1.00 0.00 C ATOM 970 O ILE A 58 2.450 -1.657 3.069 1.00 0.00 O ATOM 971 CB ILE A 58 1.103 -1.836 0.325 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.440 -2.676 -0.775 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.432 -0.440 -0.195 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.344 -2.965 -1.959 1.00 0.00 C ATOM 0 H ILE A 58 1.300 -3.946 1.984 1.00 0.00 H new ATOM 0 HA ILE A 58 3.087 -2.630 0.029 1.00 0.00 H new ATOM 0 HB ILE A 58 0.403 -1.735 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.107 -3.621 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.450 -2.156 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.522 0.036 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.857 0.158 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.153 -0.516 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.803 -3.563 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.657 -2.026 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.223 -3.514 -1.620 1.00 0.00 H new ATOM 986 N CYS A 59 4.118 -1.071 1.691 1.00 0.00 N ATOM 987 CA CYS A 59 4.830 -0.328 2.717 1.00 0.00 C ATOM 988 C CYS A 59 4.262 1.083 2.887 1.00 0.00 C ATOM 989 O CYS A 59 3.574 1.605 2.008 1.00 0.00 O ATOM 990 CB CYS A 59 6.337 -0.360 2.411 1.00 0.00 C ATOM 991 SG CYS A 59 7.036 0.996 1.418 1.00 0.00 S ATOM 0 H CYS A 59 4.556 -1.052 0.770 1.00 0.00 H new ATOM 0 HA CYS A 59 4.685 -0.804 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.870 -0.387 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.554 -1.296 1.897 1.00 0.00 H new ATOM 0 HG CYS A 59 7.640 0.505 0.377 1.00 0.00 H new ATOM 996 N SER A 60 4.542 1.682 4.038 1.00 0.00 N ATOM 997 CA SER A 60 3.915 2.933 4.446 1.00 0.00 C ATOM 998 C SER A 60 4.406 4.136 3.639 1.00 0.00 C ATOM 999 O SER A 60 3.911 5.249 3.815 1.00 0.00 O ATOM 1000 CB SER A 60 4.189 3.158 5.926 1.00 0.00 C ATOM 1001 OG SER A 60 5.289 2.371 6.352 1.00 0.00 O ATOM 0 H SER A 60 5.210 1.314 4.715 1.00 0.00 H new ATOM 0 HA SER A 60 2.845 2.846 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.397 4.213 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.304 2.903 6.509 1.00 0.00 H new ATOM 0 HG SER A 60 5.656 2.743 7.181 1.00 0.00 H new ATOM 1007 N ALA A 61 5.364 3.916 2.744 1.00 0.00 N ATOM 1008 CA ALA A 61 5.932 5.003 1.951 1.00 0.00 C ATOM 1009 C ALA A 61 5.036 5.351 0.764 1.00 0.00 C ATOM 1010 O ALA A 61 5.400 6.150 -0.095 1.00 0.00 O ATOM 1011 CB ALA A 61 7.325 4.630 1.474 1.00 0.00 C ATOM 0 H ALA A 61 5.763 2.998 2.549 1.00 0.00 H new ATOM 0 HA ALA A 61 6.000 5.886 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.739 5.448 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.967 4.443 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.271 3.731 0.860 1.00 0.00 H new ATOM 1017 N HIS A 62 3.854 4.751 0.737 1.00 0.00 N ATOM 1018 CA HIS A 62 2.917 4.934 -0.363 1.00 0.00 C ATOM 1019 C HIS A 62 1.658 5.635 0.123 1.00 0.00 C ATOM 1020 O HIS A 62 0.623 5.608 -0.541 1.00 0.00 O ATOM 1021 CB HIS A 62 2.562 3.572 -0.972 1.00 0.00 C ATOM 1022 CG HIS A 62 3.746 2.819 -1.442 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.307 2.873 -2.713 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.510 1.994 -0.729 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.394 2.072 -2.698 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.526 1.537 -1.506 1.00 0.00 N ATOM 0 H HIS A 62 3.519 4.128 1.472 1.00 0.00 H new ATOM 0 HA HIS A 62 3.385 5.556 -1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.031 2.976 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.879 3.722 -1.808 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.963 3.415 -3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.347 1.730 0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.053 1.898 -3.536 1.00 0.00 H new ATOM 1034 N PHE A 63 1.751 6.257 1.291 1.00 0.00 N ATOM 1035 CA PHE A 63 0.609 6.935 1.886 1.00 0.00 C ATOM 1036 C PHE A 63 0.964 8.375 2.227 1.00 0.00 C ATOM 1037 O PHE A 63 2.079 8.655 2.671 1.00 0.00 O ATOM 1038 CB PHE A 63 0.156 6.212 3.164 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.428 4.852 2.925 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.384 3.790 2.558 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.790 4.633 3.060 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.149 2.540 2.330 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.326 3.384 2.836 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.504 2.338 2.468 1.00 0.00 C ATOM 0 H PHE A 63 2.606 6.306 1.845 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.203 6.924 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.009 6.116 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.584 6.829 3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.447 3.944 2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.437 5.450 3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.494 1.721 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.388 3.223 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.924 1.360 2.288 1.00 0.00 H new ATOM 1054 N GLU A 64 0.029 9.284 1.996 1.00 0.00 N ATOM 1055 CA GLU A 64 0.166 10.650 2.470 1.00 0.00 C ATOM 1056 C GLU A 64 0.126 10.638 3.993 1.00 0.00 C ATOM 1057 O GLU A 64 -0.842 10.162 4.590 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.953 11.529 1.907 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.877 12.981 2.348 1.00 0.00 C ATOM 1060 CD GLU A 64 -2.063 13.393 3.196 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -2.807 12.507 3.659 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -2.261 14.606 3.405 1.00 0.00 O ATOM 0 H GLU A 64 -0.833 9.099 1.483 1.00 0.00 H new ATOM 0 HA GLU A 64 1.114 11.066 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.921 11.488 0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.914 11.116 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.042 13.138 2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.823 13.622 1.468 1.00 0.00 H new ATOM 1069 N GLY A 65 1.180 11.131 4.620 1.00 0.00 N ATOM 1070 CA GLY A 65 1.296 11.024 6.058 1.00 0.00 C ATOM 1071 C GLY A 65 1.962 9.723 6.456 1.00 0.00 C ATOM 1072 O GLY A 65 2.994 9.725 7.124 1.00 0.00 O ATOM 0 H GLY A 65 1.958 11.604 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.874 11.864 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.306 11.083 6.511 1.00 0.00 H new ATOM 1076 N GLY A 66 1.368 8.608 6.040 1.00 0.00 N ATOM 1077 CA GLY A 66 2.000 7.321 6.243 1.00 0.00 C ATOM 1078 C GLY A 66 1.077 6.279 6.847 1.00 0.00 C ATOM 1079 O GLY A 66 1.260 5.084 6.617 1.00 0.00 O ATOM 0 H GLY A 66 0.464 8.575 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.372 6.954 5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.865 7.449 6.894 1.00 0.00 H new ATOM 1083 N GLU A 67 0.084 6.721 7.608 1.00 0.00 N ATOM 1084 CA GLU A 67 -0.772 5.796 8.351 1.00 0.00 C ATOM 1085 C GLU A 67 -2.142 5.617 7.703 1.00 0.00 C ATOM 1086 O GLU A 67 -2.700 6.544 7.107 1.00 0.00 O ATOM 1087 CB GLU A 67 -0.955 6.252 9.808 1.00 0.00 C ATOM 1088 CG GLU A 67 -0.572 7.698 10.079 1.00 0.00 C ATOM 1089 CD GLU A 67 -1.369 8.686 9.256 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -2.583 8.836 9.499 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -0.777 9.317 8.356 1.00 0.00 O ATOM 0 H GLU A 67 -0.150 7.706 7.729 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.260 4.834 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.998 6.109 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.359 5.606 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.718 7.914 11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.489 7.832 9.870 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.667 4.405 7.838 1.00 0.00 N ATOM 1099 CA LYS A 68 -4.014 4.069 7.391 1.00 0.00 C ATOM 1100 C LYS A 68 -5.042 4.636 8.368 1.00 0.00 C ATOM 1101 O LYS A 68 -4.825 4.625 9.584 1.00 0.00 O ATOM 1102 CB LYS A 68 -4.163 2.549 7.313 1.00 0.00 C ATOM 1103 CG LYS A 68 -5.342 2.079 6.477 1.00 0.00 C ATOM 1104 CD LYS A 68 -5.173 0.627 6.053 1.00 0.00 C ATOM 1105 CE LYS A 68 -5.791 -0.337 7.062 1.00 0.00 C ATOM 1106 NZ LYS A 68 -7.197 0.020 7.398 1.00 0.00 N ATOM 0 H LYS A 68 -2.168 3.623 8.263 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.183 4.501 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.247 2.127 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.268 2.153 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.263 2.188 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.439 2.710 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.636 0.478 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.112 0.403 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.762 -1.349 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.192 -0.340 7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.767 -0.847 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.219 0.526 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.588 0.630 6.652 1.00 0.00 H new ATOM 1120 N LYS A 69 -6.142 5.148 7.843 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.261 5.561 8.679 1.00 0.00 C ATOM 1122 C LYS A 69 -8.473 4.716 8.330 1.00 0.00 C ATOM 1123 O LYS A 69 -9.180 4.239 9.221 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.594 7.052 8.518 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.699 7.802 7.544 1.00 0.00 C ATOM 1126 CD LYS A 69 -5.827 8.824 8.249 1.00 0.00 C ATOM 1127 CE LYS A 69 -5.022 9.643 7.254 1.00 0.00 C ATOM 1128 NZ LYS A 69 -4.309 8.783 6.270 1.00 0.00 N ATOM 0 H LYS A 69 -6.286 5.288 6.843 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.978 5.411 9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.628 7.145 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.528 7.532 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.067 7.092 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.315 8.303 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.452 9.487 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.151 8.316 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.687 10.325 6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.298 10.256 7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.550 9.331 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.898 7.963 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.980 8.454 5.546 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.678 4.543 7.020 1.00 0.00 N ATOM 1143 CA GLU A 70 -9.712 3.667 6.461 1.00 0.00 C ATOM 1144 C GLU A 70 -9.890 3.956 4.975 1.00 0.00 C ATOM 1145 O GLU A 70 -9.779 3.062 4.138 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.059 3.816 7.175 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.544 2.530 7.836 1.00 0.00 C ATOM 1148 CD GLU A 70 -10.603 1.355 7.617 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.741 0.656 6.592 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -9.726 1.116 8.473 1.00 0.00 O ATOM 0 H GLU A 70 -8.121 5.015 6.308 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.375 2.641 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.975 4.595 7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.807 4.150 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.660 2.700 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.529 2.277 7.445 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.140 5.217 4.646 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.357 5.591 3.262 1.00 0.00 C ATOM 1159 C GLY A 71 -9.069 5.957 2.551 1.00 0.00 C ATOM 1160 O GLY A 71 -9.002 6.971 1.856 1.00 0.00 O ATOM 0 H GLY A 71 -10.196 5.987 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.836 4.765 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.044 6.436 3.221 1.00 0.00 H new ATOM 1164 N ASP A 72 -8.040 5.141 2.732 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.740 5.401 2.122 1.00 0.00 C ATOM 1166 C ASP A 72 -6.364 4.297 1.147 1.00 0.00 C ATOM 1167 O ASP A 72 -6.332 3.123 1.514 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.640 5.510 3.186 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.106 6.162 4.469 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.708 5.463 5.311 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.860 7.372 4.648 1.00 0.00 O ATOM 0 H ASP A 72 -8.079 4.292 3.296 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.823 6.348 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.262 4.512 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.806 6.082 2.779 1.00 0.00 H new ATOM 1176 N ILE A 73 -6.100 4.681 -0.091 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.525 3.785 -1.082 1.00 0.00 C ATOM 1178 C ILE A 73 -4.070 4.186 -1.301 1.00 0.00 C ATOM 1179 O ILE A 73 -3.755 5.374 -1.296 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.298 3.858 -2.425 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.742 3.400 -2.233 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.628 3.024 -3.509 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.699 4.004 -3.235 1.00 0.00 C ATOM 0 H ILE A 73 -6.278 5.623 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.592 2.759 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.289 4.898 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.784 2.314 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.068 3.662 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.200 3.102 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.615 3.391 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.588 1.981 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.707 3.637 -3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.684 5.090 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.397 3.721 -4.243 1.00 0.00 H new ATOM 1195 N PRO A 74 -3.158 3.224 -1.469 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.746 3.532 -1.672 1.00 0.00 C ATOM 1197 C PRO A 74 -1.524 4.241 -3.003 1.00 0.00 C ATOM 1198 O PRO A 74 -2.328 4.108 -3.924 1.00 0.00 O ATOM 1199 CB PRO A 74 -1.071 2.158 -1.670 1.00 0.00 C ATOM 1200 CG PRO A 74 -2.147 1.204 -2.055 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.424 1.778 -1.512 1.00 0.00 C ATOM 0 HA PRO A 74 -1.349 4.202 -0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.241 2.124 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.664 1.919 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.199 1.092 -3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.957 0.214 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.274 1.545 -2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.653 1.382 -0.523 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.462 5.015 -3.097 1.00 0.00 N ATOM 1210 CA VAL A 75 -0.100 5.644 -4.355 1.00 0.00 C ATOM 1211 C VAL A 75 1.303 5.216 -4.761 1.00 0.00 C ATOM 1212 O VAL A 75 2.113 4.835 -3.912 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.185 7.189 -4.294 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.517 7.672 -4.850 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.021 7.696 -2.873 1.00 0.00 C ATOM 0 H VAL A 75 0.165 5.224 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.822 5.313 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 75 0.616 7.595 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.559 8.760 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.615 7.353 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.332 7.249 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.044 8.784 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.749 7.280 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.003 7.388 -2.516 1.00 0.00 H new ATOM 1225 N PRO A 76 1.615 5.267 -6.064 1.00 0.00 N ATOM 1226 CA PRO A 76 2.914 4.821 -6.576 1.00 0.00 C ATOM 1227 C PRO A 76 4.039 5.744 -6.132 1.00 0.00 C ATOM 1228 O PRO A 76 5.191 5.331 -5.998 1.00 0.00 O ATOM 1229 CB PRO A 76 2.737 4.874 -8.095 1.00 0.00 C ATOM 1230 CG PRO A 76 1.658 5.878 -8.320 1.00 0.00 C ATOM 1231 CD PRO A 76 0.737 5.775 -7.135 1.00 0.00 C ATOM 0 HA PRO A 76 3.188 3.832 -6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.662 5.170 -8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.459 3.899 -8.495 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.072 6.883 -8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.123 5.674 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.305 6.742 -6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -0.094 5.097 -7.329 1.00 0.00 H new ATOM 1239 N ASP A 77 3.671 6.990 -5.891 1.00 0.00 N ATOM 1240 CA ASP A 77 4.598 8.032 -5.483 1.00 0.00 C ATOM 1241 C ASP A 77 3.793 9.232 -5.002 1.00 0.00 C ATOM 1242 O ASP A 77 3.375 10.065 -5.803 1.00 0.00 O ATOM 1243 CB ASP A 77 5.511 8.420 -6.652 1.00 0.00 C ATOM 1244 CG ASP A 77 6.691 9.277 -6.227 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.536 10.091 -5.299 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.778 9.147 -6.831 1.00 0.00 O ATOM 0 H ASP A 77 2.707 7.311 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 77 5.233 7.672 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.882 7.514 -7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.927 8.960 -7.398 1.00 0.00 H new ATOM 1251 N PRO A 78 3.544 9.319 -3.680 1.00 0.00 N ATOM 1252 CA PRO A 78 2.679 10.356 -3.095 1.00 0.00 C ATOM 1253 C PRO A 78 3.251 11.762 -3.254 1.00 0.00 C ATOM 1254 O PRO A 78 2.578 12.754 -2.965 1.00 0.00 O ATOM 1255 CB PRO A 78 2.591 9.964 -1.614 1.00 0.00 C ATOM 1256 CG PRO A 78 3.796 9.124 -1.362 1.00 0.00 C ATOM 1257 CD PRO A 78 4.090 8.412 -2.654 1.00 0.00 C ATOM 0 HA PRO A 78 1.709 10.398 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.584 10.845 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.675 9.411 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.642 9.739 -1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.612 8.411 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.160 8.251 -2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.613 7.432 -2.690 1.00 0.00 H new ATOM 1265 N THR A 79 4.486 11.841 -3.720 1.00 0.00 N ATOM 1266 CA THR A 79 5.125 13.116 -3.971 1.00 0.00 C ATOM 1267 C THR A 79 4.637 13.713 -5.286 1.00 0.00 C ATOM 1268 O THR A 79 4.376 14.916 -5.376 1.00 0.00 O ATOM 1269 CB THR A 79 6.654 12.955 -4.023 1.00 0.00 C ATOM 1270 OG1 THR A 79 7.032 11.700 -3.438 1.00 0.00 O ATOM 1271 CG2 THR A 79 7.342 14.086 -3.286 1.00 0.00 C ATOM 0 H THR A 79 5.067 11.030 -3.932 1.00 0.00 H new ATOM 0 HA THR A 79 4.862 13.787 -3.153 1.00 0.00 H new ATOM 0 HB THR A 79 6.965 12.981 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.218 11.051 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.422 13.950 -3.337 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.074 15.037 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.025 14.086 -2.243 1.00 0.00 H new ATOM 1279 N VAL A 80 4.492 12.863 -6.297 1.00 0.00 N ATOM 1280 CA VAL A 80 4.108 13.318 -7.626 1.00 0.00 C ATOM 1281 C VAL A 80 2.639 13.024 -7.916 1.00 0.00 C ATOM 1282 O VAL A 80 1.915 13.878 -8.431 1.00 0.00 O ATOM 1283 CB VAL A 80 4.984 12.680 -8.728 1.00 0.00 C ATOM 1284 CG1 VAL A 80 6.417 13.172 -8.622 1.00 0.00 C ATOM 1285 CG2 VAL A 80 4.945 11.164 -8.657 1.00 0.00 C ATOM 0 H VAL A 80 4.635 11.856 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 80 4.263 14.397 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 80 4.576 12.984 -9.692 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.019 12.712 -9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.439 14.256 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.823 12.902 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.571 10.747 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.317 10.836 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.919 10.820 -8.788 1.00 0.00 H new ATOM 1295 N ASP A 81 2.203 11.818 -7.589 1.00 0.00 N ATOM 1296 CA ASP A 81 0.827 11.414 -7.824 1.00 0.00 C ATOM 1297 C ASP A 81 -0.067 11.920 -6.709 1.00 0.00 C ATOM 1298 O ASP A 81 0.406 12.304 -5.638 1.00 0.00 O ATOM 1299 CB ASP A 81 0.708 9.889 -7.937 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.360 9.464 -8.930 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.445 10.085 -8.959 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.118 8.511 -9.697 1.00 0.00 O ATOM 0 H ASP A 81 2.785 11.100 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 81 0.506 11.853 -8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.669 9.474 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.476 9.472 -6.957 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.357 11.919 -6.965 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.319 12.386 -5.992 1.00 0.00 C ATOM 1309 C LYS A 82 -2.849 11.216 -5.186 1.00 0.00 C ATOM 1310 O LYS A 82 -3.631 10.415 -5.699 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.471 13.117 -6.683 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.022 14.259 -7.579 1.00 0.00 C ATOM 1313 CD LYS A 82 -4.177 15.183 -7.928 1.00 0.00 C ATOM 1314 CE LYS A 82 -4.922 14.701 -9.160 1.00 0.00 C ATOM 1315 NZ LYS A 82 -6.387 14.645 -8.936 1.00 0.00 N ATOM 0 H LYS A 82 -1.765 11.598 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.823 13.085 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.038 12.401 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.149 13.508 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.238 14.828 -7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.589 13.856 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.865 15.241 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.799 16.191 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.708 15.366 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.560 13.712 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.858 14.311 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.594 13.991 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.738 15.594 -8.695 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.347 11.099 -3.956 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.841 10.139 -2.963 1.00 0.00 C ATOM 1331 C GLN A 83 -4.317 9.809 -3.181 1.00 0.00 C ATOM 1332 O GLN A 83 -5.191 10.667 -3.031 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.615 10.710 -1.553 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.567 10.178 -0.490 1.00 0.00 C ATOM 1335 CD GLN A 83 -3.212 8.780 -0.034 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -2.138 8.547 0.519 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -4.114 7.841 -0.260 1.00 0.00 N ATOM 0 H GLN A 83 -1.577 11.674 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.286 9.207 -3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.592 10.491 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.710 11.795 -1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.557 10.849 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.583 10.180 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.992 8.078 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.932 6.879 0.027 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.589 8.563 -3.554 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.946 8.146 -3.828 1.00 0.00 C ATOM 1348 C ILE A 84 -6.679 7.874 -2.521 1.00 0.00 C ATOM 1349 O ILE A 84 -6.505 6.828 -1.905 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.013 6.881 -4.715 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.020 6.961 -5.877 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.426 6.692 -5.250 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.239 5.682 -6.089 1.00 0.00 C ATOM 0 H ILE A 84 -3.887 7.832 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.422 8.961 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.742 6.024 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.561 7.203 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.322 7.778 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.463 5.799 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.119 6.581 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.709 7.561 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.554 5.809 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.671 5.449 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.929 4.866 -6.304 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.468 8.832 -2.079 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.224 8.675 -0.848 1.00 0.00 C ATOM 1367 C LYS A 85 -9.709 8.561 -1.156 1.00 0.00 C ATOM 1368 O LYS A 85 -10.198 9.138 -2.129 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.954 9.841 0.109 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.285 11.208 -0.472 1.00 0.00 C ATOM 1371 CD LYS A 85 -8.941 12.101 0.566 1.00 0.00 C ATOM 1372 CE LYS A 85 -10.457 12.061 0.457 1.00 0.00 C ATOM 1373 NZ LYS A 85 -10.973 13.069 -0.507 1.00 0.00 N ATOM 0 H LYS A 85 -7.604 9.726 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.900 7.757 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.536 9.693 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.903 9.825 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.374 11.681 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.950 11.091 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.638 11.784 1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.593 13.126 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.772 11.066 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.896 12.240 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.008 13.127 -0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.557 13.998 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.715 12.788 -1.474 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.420 7.809 -0.336 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.842 7.597 -0.539 1.00 0.00 C ATOM 1389 C ILE A 86 -12.650 8.363 0.493 1.00 0.00 C ATOM 1390 O ILE A 86 -12.302 8.383 1.674 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.233 6.106 -0.436 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.217 5.218 -1.152 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.628 5.887 -1.007 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.271 3.768 -0.715 1.00 0.00 C ATOM 0 H ILE A 86 -10.035 7.333 0.480 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.062 7.954 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.236 5.828 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.392 5.273 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.215 5.607 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.892 4.832 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.348 6.484 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.644 6.188 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.523 3.195 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.067 3.702 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.262 3.363 -0.921 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.716 9.000 0.042 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.684 9.586 0.955 1.00 0.00 C ATOM 1408 C GLU A 87 -15.616 8.475 1.416 1.00 0.00 C ATOM 1409 O GLU A 87 -16.533 8.079 0.695 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.488 10.733 0.310 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.247 10.944 -1.182 1.00 0.00 C ATOM 1412 CD GLU A 87 -13.894 11.558 -1.485 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.545 12.581 -0.861 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -13.175 11.018 -2.353 1.00 0.00 O ATOM 0 H GLU A 87 -13.934 9.125 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.153 10.028 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.550 10.542 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.251 11.659 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.328 9.986 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.030 11.588 -1.583 1.00 0.00 H new