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 28 TYR OH : rot -26:sc= 0.451 USER MOD Set 1.2: A 60 SER OG : rot -111:sc= 2.1 USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0.0678 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0.00341 USER MOD Set 3.1: A 7 CYS SG : rot 133:sc= 0.112 USER MOD Set 3.2: A 12 CYS SG : rot 87:sc= 0.393 USER MOD Set 3.3: A 59 CYS SG : rot -126:sc= -3.28! USER MOD Set 3.4: A 62 HIS : no HE2:sc= -1.56! K(o=-4.3!,f=-5.2) USER MOD Set 4.1: A 6 THR OG1 : rot 13:sc= 1.35 USER MOD Set 4.2: A 55 GLN : amide:sc= 2.16 K(o=3.5,f=-4!) USER MOD Single : A 11 ASN : amide:sc=-0.00607 X(o=-0.0061,f=-0.49) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.21) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 60:sc= 0.927 USER MOD Single : A 54 SER OG : rot 180:sc= 0.112 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 1.13 (180deg=1.08) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 0.584 (180deg=0.28) USER MOD Single : A 79 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1) USER MOD Single : A 83 GLN : amide:sc= 1.48 K(o=1.5,f=-6.6!) USER MOD Single : A 85 LYS NZ :NH3+ -108:sc= 3.49 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 8.377 -7.870 2.099 1.00 0.00 N ATOM 67 CA THR A 6 8.825 -7.161 0.916 1.00 0.00 C ATOM 68 C THR A 6 7.693 -6.307 0.359 1.00 0.00 C ATOM 69 O THR A 6 6.551 -6.765 0.301 1.00 0.00 O ATOM 70 CB THR A 6 9.289 -8.162 -0.157 1.00 0.00 C ATOM 71 OG1 THR A 6 9.960 -9.267 0.470 1.00 0.00 O ATOM 72 CG2 THR A 6 10.215 -7.500 -1.161 1.00 0.00 C ATOM 0 HA THR A 6 9.660 -6.517 1.191 1.00 0.00 H new ATOM 0 HB THR A 6 8.410 -8.522 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.797 -9.243 1.436 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.526 -8.232 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.692 -6.680 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.093 -7.112 -0.645 1.00 0.00 H new ATOM 80 N CYS A 7 7.994 -5.065 -0.015 1.00 0.00 N ATOM 81 CA CYS A 7 6.989 -4.215 -0.620 1.00 0.00 C ATOM 82 C CYS A 7 6.560 -4.797 -1.962 1.00 0.00 C ATOM 83 O CYS A 7 7.384 -5.040 -2.848 1.00 0.00 O ATOM 84 CB CYS A 7 7.489 -2.774 -0.789 1.00 0.00 C ATOM 85 SG CYS A 7 6.132 -1.560 -0.914 1.00 0.00 S ATOM 0 H CYS A 7 8.913 -4.636 0.091 1.00 0.00 H new ATOM 0 HA CYS A 7 6.128 -4.181 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.125 -2.514 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.108 -2.712 -1.684 1.00 0.00 H new ATOM 0 HG CYS A 7 6.376 -0.554 -0.128 1.00 0.00 H new ATOM 90 N GLY A 8 5.262 -5.035 -2.088 1.00 0.00 N ATOM 91 CA GLY A 8 4.718 -5.637 -3.286 1.00 0.00 C ATOM 92 C GLY A 8 4.375 -4.605 -4.332 1.00 0.00 C ATOM 93 O GLY A 8 3.786 -4.923 -5.370 1.00 0.00 O ATOM 0 H GLY A 8 4.569 -4.818 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.440 -6.343 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.824 -6.206 -3.032 1.00 0.00 H new ATOM 97 N PHE A 9 4.725 -3.361 -4.050 1.00 0.00 N ATOM 98 CA PHE A 9 4.528 -2.285 -4.997 1.00 0.00 C ATOM 99 C PHE A 9 5.518 -2.428 -6.144 1.00 0.00 C ATOM 100 O PHE A 9 6.693 -2.709 -5.912 1.00 0.00 O ATOM 101 CB PHE A 9 4.707 -0.928 -4.312 1.00 0.00 C ATOM 102 CG PHE A 9 3.657 0.076 -4.691 1.00 0.00 C ATOM 103 CD1 PHE A 9 3.784 0.824 -5.850 1.00 0.00 C ATOM 104 CD2 PHE A 9 2.544 0.269 -3.891 1.00 0.00 C ATOM 105 CE1 PHE A 9 2.817 1.741 -6.206 1.00 0.00 C ATOM 106 CE2 PHE A 9 1.573 1.185 -4.242 1.00 0.00 C ATOM 107 CZ PHE A 9 1.711 1.924 -5.402 1.00 0.00 C ATOM 0 H PHE A 9 5.149 -3.074 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 9 3.512 -2.340 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.690 -1.070 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.689 -0.528 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.649 0.688 -6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.434 -0.304 -2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.926 2.316 -7.114 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.707 1.324 -3.612 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.954 2.643 -5.678 1.00 0.00 H new ATOM 117 N PRO A 10 5.049 -2.266 -7.392 1.00 0.00 N ATOM 118 CA PRO A 10 5.901 -2.339 -8.584 1.00 0.00 C ATOM 119 C PRO A 10 7.094 -1.392 -8.498 1.00 0.00 C ATOM 120 O PRO A 10 6.984 -0.212 -8.832 1.00 0.00 O ATOM 121 CB PRO A 10 4.967 -1.928 -9.732 1.00 0.00 C ATOM 122 CG PRO A 10 3.766 -1.334 -9.079 1.00 0.00 C ATOM 123 CD PRO A 10 3.649 -2.006 -7.744 1.00 0.00 C ATOM 0 HA PRO A 10 6.332 -3.332 -8.713 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.451 -1.208 -10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.695 -2.788 -10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.877 -0.256 -8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.872 -1.501 -9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.159 -1.366 -7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.068 -2.927 -7.803 1.00 0.00 H new ATOM 131 N ASN A 11 8.224 -1.934 -8.038 1.00 0.00 N ATOM 132 CA ASN A 11 9.457 -1.171 -7.862 1.00 0.00 C ATOM 133 C ASN A 11 9.272 -0.085 -6.806 1.00 0.00 C ATOM 134 O ASN A 11 9.044 1.085 -7.125 1.00 0.00 O ATOM 135 CB ASN A 11 9.927 -0.554 -9.185 1.00 0.00 C ATOM 136 CG ASN A 11 11.240 0.200 -9.044 1.00 0.00 C ATOM 137 OD1 ASN A 11 12.112 -0.176 -8.256 1.00 0.00 O ATOM 138 ND2 ASN A 11 11.390 1.275 -9.803 1.00 0.00 N ATOM 0 H ASN A 11 8.308 -2.917 -7.777 1.00 0.00 H new ATOM 0 HA ASN A 11 10.227 -1.863 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.043 -1.343 -9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.160 0.125 -9.558 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.249 1.823 -9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.647 1.555 -10.443 1.00 0.00 H new ATOM 145 N CYS A 12 9.346 -0.483 -5.542 1.00 0.00 N ATOM 146 CA CYS A 12 9.288 0.467 -4.450 1.00 0.00 C ATOM 147 C CYS A 12 10.561 1.304 -4.421 1.00 0.00 C ATOM 148 O CYS A 12 11.556 0.930 -3.796 1.00 0.00 O ATOM 149 CB CYS A 12 9.096 -0.250 -3.111 1.00 0.00 C ATOM 150 SG CYS A 12 9.027 0.864 -1.669 1.00 0.00 S ATOM 0 H CYS A 12 9.446 -1.456 -5.253 1.00 0.00 H new ATOM 0 HA CYS A 12 8.432 1.123 -4.609 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.174 -0.831 -3.152 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.913 -0.958 -2.970 1.00 0.00 H new ATOM 0 HG CYS A 12 7.804 1.267 -1.490 1.00 0.00 H new ATOM 155 N LYS A 13 10.521 2.434 -5.111 1.00 0.00 N ATOM 156 CA LYS A 13 11.633 3.375 -5.124 1.00 0.00 C ATOM 157 C LYS A 13 11.860 3.960 -3.732 1.00 0.00 C ATOM 158 O LYS A 13 12.873 4.600 -3.472 1.00 0.00 O ATOM 159 CB LYS A 13 11.352 4.504 -6.119 1.00 0.00 C ATOM 160 CG LYS A 13 10.167 5.376 -5.724 1.00 0.00 C ATOM 161 CD LYS A 13 9.772 6.330 -6.839 1.00 0.00 C ATOM 162 CE LYS A 13 10.740 7.495 -6.948 1.00 0.00 C ATOM 163 NZ LYS A 13 10.185 8.738 -6.352 1.00 0.00 N ATOM 0 H LYS A 13 9.722 2.724 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 13 12.532 2.840 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.240 5.129 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.165 4.073 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.318 4.742 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.417 5.946 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.742 5.791 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.766 6.708 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.674 7.239 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.979 7.671 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.870 9.512 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.299 8.989 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.997 8.584 -5.341 1.00 0.00 H new ATOM 177 N PHE A 14 10.910 3.721 -2.839 1.00 0.00 N ATOM 178 CA PHE A 14 10.958 4.278 -1.503 1.00 0.00 C ATOM 179 C PHE A 14 11.756 3.385 -0.563 1.00 0.00 C ATOM 180 O PHE A 14 12.467 3.878 0.310 1.00 0.00 O ATOM 181 CB PHE A 14 9.543 4.480 -0.972 1.00 0.00 C ATOM 182 CG PHE A 14 8.880 5.706 -1.521 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.126 6.947 -0.961 1.00 0.00 C ATOM 184 CD2 PHE A 14 8.019 5.621 -2.605 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.525 8.080 -1.468 1.00 0.00 C ATOM 186 CE2 PHE A 14 7.418 6.752 -3.118 1.00 0.00 C ATOM 187 CZ PHE A 14 7.672 7.984 -2.549 1.00 0.00 C ATOM 0 H PHE A 14 10.092 3.140 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 14 11.461 5.244 -1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.940 3.606 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.575 4.547 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.796 7.029 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.817 4.659 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.722 9.042 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.750 6.674 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.204 8.871 -2.949 1.00 0.00 H new ATOM 197 N ARG A 15 11.625 2.074 -0.717 1.00 0.00 N ATOM 198 CA ARG A 15 12.427 1.145 0.071 1.00 0.00 C ATOM 199 C ARG A 15 13.783 0.930 -0.595 1.00 0.00 C ATOM 200 O ARG A 15 14.761 0.577 0.061 1.00 0.00 O ATOM 201 CB ARG A 15 11.686 -0.184 0.275 1.00 0.00 C ATOM 202 CG ARG A 15 11.922 -1.215 -0.815 1.00 0.00 C ATOM 203 CD ARG A 15 10.970 -2.391 -0.676 1.00 0.00 C ATOM 204 NE ARG A 15 11.373 -3.298 0.398 1.00 0.00 N ATOM 205 CZ ARG A 15 11.945 -4.483 0.202 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.183 -4.915 -1.033 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.268 -5.236 1.242 1.00 0.00 N ATOM 0 H ARG A 15 10.979 1.633 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 15 12.595 1.577 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.989 -0.610 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.617 0.018 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.790 -0.751 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.952 -1.570 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.963 -2.021 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.931 -2.939 -1.618 1.00 0.00 H new ATOM 0 HE ARG A 15 11.205 -3.003 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.927 -4.337 -1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.622 -5.824 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.078 -4.907 2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.707 -6.145 1.097 1.00 0.00 H new ATOM 368 N ARG A 25 10.055 -0.801 7.119 1.00 0.00 N ATOM 369 CA ARG A 25 8.780 -0.099 7.018 1.00 0.00 C ATOM 370 C ARG A 25 7.606 -0.810 7.671 1.00 0.00 C ATOM 371 O ARG A 25 7.655 -1.993 8.008 1.00 0.00 O ATOM 372 CB ARG A 25 8.439 0.122 5.552 1.00 0.00 C ATOM 373 CG ARG A 25 9.339 1.124 4.885 1.00 0.00 C ATOM 374 CD ARG A 25 8.559 2.293 4.325 1.00 0.00 C ATOM 375 NE ARG A 25 9.443 3.414 4.040 1.00 0.00 N ATOM 376 CZ ARG A 25 10.125 3.523 2.907 1.00 0.00 C ATOM 377 NH1 ARG A 25 9.910 2.652 1.925 1.00 0.00 N ATOM 378 NH2 ARG A 25 10.995 4.513 2.744 1.00 0.00 N ATOM 0 HA ARG A 25 8.923 0.836 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.506 -0.828 5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.406 0.460 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.074 1.488 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.892 0.638 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.044 1.989 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.793 2.600 5.037 1.00 0.00 H new ATOM 0 HE ARG A 25 9.542 4.148 4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.225 1.906 2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.431 2.730 1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.140 5.192 3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.518 4.594 1.872 1.00 0.00 H new ATOM 392 N HIS A 26 6.546 -0.035 7.831 1.00 0.00 N ATOM 393 CA HIS A 26 5.247 -0.547 8.233 1.00 0.00 C ATOM 394 C HIS A 26 4.568 -1.156 7.016 1.00 0.00 C ATOM 395 O HIS A 26 4.414 -0.485 5.996 1.00 0.00 O ATOM 396 CB HIS A 26 4.390 0.588 8.793 1.00 0.00 C ATOM 397 CG HIS A 26 3.604 0.223 10.011 1.00 0.00 C ATOM 398 ND1 HIS A 26 2.665 -0.781 9.995 1.00 0.00 N ATOM 399 CD2 HIS A 26 3.647 0.772 11.245 1.00 0.00 C ATOM 400 CE1 HIS A 26 2.161 -0.816 11.217 1.00 0.00 C ATOM 401 NE2 HIS A 26 2.727 0.104 12.008 1.00 0.00 N ATOM 0 H HIS A 26 6.563 0.974 7.684 1.00 0.00 H new ATOM 0 HA HIS A 26 5.370 -1.304 9.007 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.037 1.432 9.032 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.701 0.924 8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.284 1.582 11.567 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.390 -1.501 11.537 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.514 0.275 12.991 1.00 0.00 H new ATOM 409 N PHE A 27 4.182 -2.413 7.113 1.00 0.00 N ATOM 410 CA PHE A 27 3.638 -3.123 5.965 1.00 0.00 C ATOM 411 C PHE A 27 2.170 -3.464 6.173 1.00 0.00 C ATOM 412 O PHE A 27 1.774 -3.928 7.244 1.00 0.00 O ATOM 413 CB PHE A 27 4.437 -4.396 5.710 1.00 0.00 C ATOM 414 CG PHE A 27 5.731 -4.156 4.985 1.00 0.00 C ATOM 415 CD1 PHE A 27 5.751 -4.005 3.609 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.926 -4.086 5.682 1.00 0.00 C ATOM 417 CE1 PHE A 27 6.940 -3.791 2.940 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.120 -3.875 5.019 1.00 0.00 C ATOM 419 CZ PHE A 27 8.127 -3.727 3.645 1.00 0.00 C ATOM 0 H PHE A 27 4.233 -2.964 7.970 1.00 0.00 H new ATOM 0 HA PHE A 27 3.715 -2.469 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.648 -4.880 6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.827 -5.088 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.827 -4.055 3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.925 -4.198 6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.942 -3.674 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.046 -3.826 5.573 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.058 -3.562 3.123 1.00 0.00 H new ATOM 429 N TYR A 28 1.370 -3.234 5.144 1.00 0.00 N ATOM 430 CA TYR A 28 -0.055 -3.528 5.194 1.00 0.00 C ATOM 431 C TYR A 28 -0.375 -4.814 4.445 1.00 0.00 C ATOM 432 O TYR A 28 0.303 -5.169 3.481 1.00 0.00 O ATOM 433 CB TYR A 28 -0.868 -2.388 4.580 1.00 0.00 C ATOM 434 CG TYR A 28 -0.641 -1.042 5.232 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.411 -0.227 4.834 1.00 0.00 C ATOM 436 CD2 TYR A 28 -1.482 -0.583 6.236 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.625 1.002 5.423 1.00 0.00 C ATOM 438 CE2 TYR A 28 -1.273 0.648 6.831 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.221 1.435 6.419 1.00 0.00 C ATOM 440 OH TYR A 28 -0.007 2.656 7.010 1.00 0.00 O ATOM 0 H TYR A 28 1.686 -2.842 4.257 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.323 -3.644 6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.623 -2.312 3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.927 -2.636 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.073 -0.561 4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.311 -1.196 6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.451 1.621 5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.932 0.990 7.615 1.00 0.00 H new ATOM 0 HH TYR A 28 0.942 2.891 6.942 1.00 0.00 H new ATOM 450 N ARG A 29 -1.430 -5.491 4.884 1.00 0.00 N ATOM 451 CA ARG A 29 -1.907 -6.701 4.222 1.00 0.00 C ATOM 452 C ARG A 29 -2.953 -6.354 3.167 1.00 0.00 C ATOM 453 O ARG A 29 -3.610 -7.238 2.613 1.00 0.00 O ATOM 454 CB ARG A 29 -2.515 -7.657 5.252 1.00 0.00 C ATOM 455 CG ARG A 29 -2.380 -9.124 4.883 1.00 0.00 C ATOM 456 CD ARG A 29 -0.967 -9.624 5.120 1.00 0.00 C ATOM 457 NE ARG A 29 -0.917 -11.082 5.253 1.00 0.00 N ATOM 458 CZ ARG A 29 -0.384 -11.718 6.299 1.00 0.00 C ATOM 459 NH1 ARG A 29 0.154 -11.030 7.299 1.00 0.00 N ATOM 460 NH2 ARG A 29 -0.379 -13.043 6.345 1.00 0.00 N ATOM 0 H ARG A 29 -1.976 -5.220 5.702 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.060 -7.185 3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.036 -7.489 6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.572 -7.419 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.081 -9.715 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.647 -9.264 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.329 -9.313 4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.566 -9.163 6.023 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.313 -11.646 4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.162 -10.010 7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.560 -11.521 8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.784 -13.581 5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.029 -13.524 7.146 1.00 0.00 H new ATOM 474 N ILE A 30 -3.079 -5.057 2.891 1.00 0.00 N ATOM 475 CA ILE A 30 -4.100 -4.536 1.991 1.00 0.00 C ATOM 476 C ILE A 30 -5.496 -4.792 2.563 1.00 0.00 C ATOM 477 O ILE A 30 -6.072 -5.863 2.370 1.00 0.00 O ATOM 478 CB ILE A 30 -3.980 -5.135 0.572 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.601 -4.834 -0.019 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.073 -4.594 -0.342 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.785 -6.072 -0.313 1.00 0.00 C ATOM 0 H ILE A 30 -2.473 -4.338 3.287 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.942 -3.461 1.905 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.102 -6.215 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.726 -4.264 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.048 -4.201 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.966 -5.031 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.050 -4.854 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.985 -3.510 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.820 -5.782 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.628 -6.632 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.317 -6.696 -1.031 1.00 0.00 H new ATOM 493 N PRO A 31 -6.029 -3.801 3.302 1.00 0.00 N ATOM 494 CA PRO A 31 -7.342 -3.877 3.964 1.00 0.00 C ATOM 495 C PRO A 31 -8.415 -4.554 3.111 1.00 0.00 C ATOM 496 O PRO A 31 -8.827 -4.027 2.078 1.00 0.00 O ATOM 497 CB PRO A 31 -7.667 -2.402 4.184 1.00 0.00 C ATOM 498 CG PRO A 31 -6.341 -1.797 4.473 1.00 0.00 C ATOM 499 CD PRO A 31 -5.383 -2.499 3.549 1.00 0.00 C ATOM 0 HA PRO A 31 -7.318 -4.481 4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.129 -1.956 3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.361 -2.263 5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.349 -0.722 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.060 -1.941 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.238 -1.942 2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.401 -2.619 4.006 1.00 0.00 H new ATOM 507 N LYS A 32 -8.866 -5.723 3.559 1.00 0.00 N ATOM 508 CA LYS A 32 -9.810 -6.532 2.791 1.00 0.00 C ATOM 509 C LYS A 32 -11.244 -6.248 3.207 1.00 0.00 C ATOM 510 O LYS A 32 -12.181 -6.911 2.756 1.00 0.00 O ATOM 511 CB LYS A 32 -9.517 -8.030 2.960 1.00 0.00 C ATOM 512 CG LYS A 32 -8.106 -8.344 3.440 1.00 0.00 C ATOM 513 CD LYS A 32 -7.646 -9.713 2.958 1.00 0.00 C ATOM 514 CE LYS A 32 -8.397 -10.837 3.659 1.00 0.00 C ATOM 515 NZ LYS A 32 -7.791 -12.168 3.392 1.00 0.00 N ATOM 0 H LYS A 32 -8.592 -6.132 4.452 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.687 -6.261 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.231 -8.450 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.683 -8.530 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.419 -7.579 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.075 -8.311 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.798 -9.790 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.576 -9.822 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.405 -10.652 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.436 -10.839 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.334 -12.903 3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.806 -12.358 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.808 -12.176 3.731 1.00 0.00 H new ATOM 529 N ARG A 33 -11.404 -5.261 4.060 1.00 0.00 N ATOM 530 CA ARG A 33 -12.713 -4.883 4.563 1.00 0.00 C ATOM 531 C ARG A 33 -12.793 -3.371 4.741 1.00 0.00 C ATOM 532 O ARG A 33 -12.026 -2.791 5.511 1.00 0.00 O ATOM 533 CB ARG A 33 -12.998 -5.590 5.889 1.00 0.00 C ATOM 534 CG ARG A 33 -14.384 -5.308 6.443 1.00 0.00 C ATOM 535 CD ARG A 33 -15.346 -6.449 6.156 1.00 0.00 C ATOM 536 NE ARG A 33 -16.092 -6.243 4.915 1.00 0.00 N ATOM 537 CZ ARG A 33 -17.118 -5.397 4.786 1.00 0.00 C ATOM 538 NH1 ARG A 33 -17.544 -4.698 5.830 1.00 0.00 N ATOM 539 NH2 ARG A 33 -17.728 -5.265 3.616 1.00 0.00 N ATOM 0 H ARG A 33 -10.636 -4.698 4.426 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.467 -5.189 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.883 -6.665 5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.253 -5.282 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.320 -5.148 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.770 -4.387 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.789 -7.384 6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.045 -6.550 6.986 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.811 -6.780 4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.088 -4.805 6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.328 -4.053 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.414 -5.810 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.511 -4.619 3.519 1.00 0.00 H new ATOM 553 N PRO A 34 -13.712 -2.710 4.017 1.00 0.00 N ATOM 554 CA PRO A 34 -14.604 -3.374 3.058 1.00 0.00 C ATOM 555 C PRO A 34 -13.867 -3.842 1.805 1.00 0.00 C ATOM 556 O PRO A 34 -12.846 -3.269 1.423 1.00 0.00 O ATOM 557 CB PRO A 34 -15.619 -2.285 2.706 1.00 0.00 C ATOM 558 CG PRO A 34 -14.905 -1.000 2.953 1.00 0.00 C ATOM 559 CD PRO A 34 -13.958 -1.259 4.093 1.00 0.00 C ATOM 0 HA PRO A 34 -15.052 -4.275 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.940 -2.365 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.514 -2.365 3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.364 -0.678 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.608 -0.206 3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.035 -0.690 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.396 -0.976 5.050 1.00 0.00 H new ATOM 567 N LEU A 35 -14.393 -4.878 1.163 1.00 0.00 N ATOM 568 CA LEU A 35 -13.762 -5.446 -0.025 1.00 0.00 C ATOM 569 C LEU A 35 -13.728 -4.439 -1.167 1.00 0.00 C ATOM 570 O LEU A 35 -12.840 -4.480 -2.017 1.00 0.00 O ATOM 571 CB LEU A 35 -14.494 -6.712 -0.469 1.00 0.00 C ATOM 572 CG LEU A 35 -13.703 -8.008 -0.285 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.543 -9.207 -0.679 1.00 0.00 C ATOM 574 CD2 LEU A 35 -12.419 -7.971 -1.095 1.00 0.00 C ATOM 0 H LEU A 35 -15.256 -5.343 1.444 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.735 -5.702 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.427 -6.790 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.760 -6.611 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.442 -8.101 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.962 -10.119 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.436 -9.247 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.836 -9.118 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.871 -8.902 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.659 -7.851 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.805 -7.133 -0.765 1.00 0.00 H new ATOM 586 N ILE A 36 -14.692 -3.530 -1.175 1.00 0.00 N ATOM 587 CA ILE A 36 -14.743 -2.482 -2.184 1.00 0.00 C ATOM 588 C ILE A 36 -13.547 -1.541 -2.037 1.00 0.00 C ATOM 589 O ILE A 36 -13.096 -0.931 -3.007 1.00 0.00 O ATOM 590 CB ILE A 36 -16.085 -1.703 -2.113 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.767 -1.728 -3.480 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.892 -0.266 -1.635 1.00 0.00 C ATOM 593 CD1 ILE A 36 -17.074 -3.123 -3.980 1.00 0.00 C ATOM 0 H ILE A 36 -15.450 -3.497 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.688 -2.949 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.721 -2.198 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.695 -1.159 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.128 -1.224 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.857 0.239 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.450 -0.270 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.231 0.261 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.557 -3.062 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.147 -3.690 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.739 -3.624 -3.276 1.00 0.00 H new ATOM 605 N LEU A 37 -13.019 -1.461 -0.822 1.00 0.00 N ATOM 606 CA LEU A 37 -11.844 -0.651 -0.551 1.00 0.00 C ATOM 607 C LEU A 37 -10.591 -1.405 -0.990 1.00 0.00 C ATOM 608 O LEU A 37 -9.682 -0.822 -1.578 1.00 0.00 O ATOM 609 CB LEU A 37 -11.784 -0.285 0.938 1.00 0.00 C ATOM 610 CG LEU A 37 -10.384 -0.149 1.531 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.981 1.314 1.623 1.00 0.00 C ATOM 612 CD2 LEU A 37 -10.328 -0.806 2.899 1.00 0.00 C ATOM 0 H LEU A 37 -13.390 -1.950 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.902 0.278 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.313 0.657 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.325 -1.045 1.502 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.677 -0.655 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.980 1.390 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.986 1.756 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.687 1.847 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.324 -0.702 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.045 -0.324 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.574 -1.864 2.805 1.00 0.00 H new ATOM 624 N ARG A 38 -10.560 -2.713 -0.727 1.00 0.00 N ATOM 625 CA ARG A 38 -9.459 -3.557 -1.184 1.00 0.00 C ATOM 626 C ARG A 38 -9.384 -3.536 -2.708 1.00 0.00 C ATOM 627 O ARG A 38 -8.303 -3.483 -3.287 1.00 0.00 O ATOM 628 CB ARG A 38 -9.631 -4.999 -0.693 1.00 0.00 C ATOM 629 CG ARG A 38 -8.466 -5.904 -1.052 1.00 0.00 C ATOM 630 CD ARG A 38 -8.582 -7.269 -0.389 1.00 0.00 C ATOM 631 NE ARG A 38 -7.684 -8.258 -0.992 1.00 0.00 N ATOM 632 CZ ARG A 38 -6.396 -8.412 -0.663 1.00 0.00 C ATOM 633 NH1 ARG A 38 -5.863 -7.708 0.328 1.00 0.00 N ATOM 634 NH2 ARG A 38 -5.652 -9.299 -1.309 1.00 0.00 N ATOM 0 H ARG A 38 -11.282 -3.207 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.532 -3.161 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.756 -4.993 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.546 -5.412 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.423 -6.029 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.532 -5.431 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.355 -7.175 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.611 -7.621 -0.465 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.067 -8.871 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.436 -7.042 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.880 -7.833 0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.062 -9.862 -2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.670 -9.419 -1.060 1.00 0.00 H new ATOM 648 N GLN A 39 -10.552 -3.558 -3.342 1.00 0.00 N ATOM 649 CA GLN A 39 -10.651 -3.489 -4.795 1.00 0.00 C ATOM 650 C GLN A 39 -9.991 -2.216 -5.318 1.00 0.00 C ATOM 651 O GLN A 39 -9.360 -2.219 -6.374 1.00 0.00 O ATOM 652 CB GLN A 39 -12.119 -3.530 -5.226 1.00 0.00 C ATOM 653 CG GLN A 39 -12.334 -4.139 -6.601 1.00 0.00 C ATOM 654 CD GLN A 39 -12.960 -3.157 -7.574 1.00 0.00 C ATOM 655 OE1 GLN A 39 -12.299 -2.665 -8.487 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.239 -2.869 -7.384 1.00 0.00 N ATOM 0 H GLN A 39 -11.452 -3.624 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.131 -4.349 -5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.688 -4.101 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.519 -2.516 -5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.378 -4.481 -6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.974 -5.016 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.750 -3.300 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.713 -2.216 -8.008 1.00 0.00 H new ATOM 665 N ARG A 40 -10.130 -1.133 -4.568 1.00 0.00 N ATOM 666 CA ARG A 40 -9.546 0.144 -4.954 1.00 0.00 C ATOM 667 C ARG A 40 -8.050 0.178 -4.642 1.00 0.00 C ATOM 668 O ARG A 40 -7.284 0.873 -5.308 1.00 0.00 O ATOM 669 CB ARG A 40 -10.266 1.295 -4.251 1.00 0.00 C ATOM 670 CG ARG A 40 -11.613 1.626 -4.867 1.00 0.00 C ATOM 671 CD ARG A 40 -11.491 2.695 -5.943 1.00 0.00 C ATOM 672 NE ARG A 40 -10.826 2.191 -7.145 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.465 1.831 -8.257 1.00 0.00 C ATOM 674 NH1 ARG A 40 -12.786 1.925 -8.332 1.00 0.00 N ATOM 675 NH2 ARG A 40 -10.776 1.379 -9.296 1.00 0.00 N ATOM 0 H ARG A 40 -10.643 -1.113 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.670 0.262 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.408 1.039 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.633 2.182 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.048 0.724 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.295 1.969 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.484 3.061 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.932 3.544 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.809 2.110 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.318 2.275 -7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.269 1.648 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.760 1.308 -9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.262 1.102 -10.149 1.00 0.00 H new ATOM 689 N TRP A 41 -7.641 -0.592 -3.637 1.00 0.00 N ATOM 690 CA TRP A 41 -6.231 -0.706 -3.265 1.00 0.00 C ATOM 691 C TRP A 41 -5.432 -1.340 -4.406 1.00 0.00 C ATOM 692 O TRP A 41 -4.246 -1.053 -4.586 1.00 0.00 O ATOM 693 CB TRP A 41 -6.089 -1.545 -1.985 1.00 0.00 C ATOM 694 CG TRP A 41 -6.018 -0.721 -0.736 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.966 0.144 -0.272 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.944 -0.687 0.212 1.00 0.00 C ATOM 697 NE1 TRP A 41 -6.543 0.722 0.894 1.00 0.00 N ATOM 698 CE2 TRP A 41 -5.309 0.228 1.215 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.709 -1.336 0.311 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -4.491 0.512 2.300 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.895 -1.053 1.392 1.00 0.00 C ATOM 702 CH2 TRP A 41 -3.292 -0.135 2.374 1.00 0.00 C ATOM 0 H TRP A 41 -8.271 -1.151 -3.061 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.836 0.292 -3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.935 -2.229 -1.912 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.190 -2.157 -2.059 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.912 0.343 -0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.064 1.411 1.436 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.397 -2.044 -0.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.793 1.220 3.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.939 -1.547 1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.635 0.065 3.207 1.00 0.00 H new ATOM 713 N LEU A 42 -6.103 -2.185 -5.189 1.00 0.00 N ATOM 714 CA LEU A 42 -5.465 -2.871 -6.313 1.00 0.00 C ATOM 715 C LEU A 42 -5.204 -1.905 -7.467 1.00 0.00 C ATOM 716 O LEU A 42 -4.357 -2.164 -8.322 1.00 0.00 O ATOM 717 CB LEU A 42 -6.334 -4.039 -6.801 1.00 0.00 C ATOM 718 CG LEU A 42 -6.992 -4.882 -5.703 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.753 -6.050 -6.309 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.952 -5.377 -4.710 1.00 0.00 C ATOM 0 H LEU A 42 -7.090 -2.411 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.510 -3.262 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.117 -3.640 -7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.717 -4.694 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.702 -4.252 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.213 -6.636 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.528 -5.672 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.064 -6.680 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.440 -5.973 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.215 -5.989 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.455 -4.524 -4.248 1.00 0.00 H new ATOM 732 N THR A 43 -5.926 -0.786 -7.473 1.00 0.00 N ATOM 733 CA THR A 43 -5.811 0.208 -8.536 1.00 0.00 C ATOM 734 C THR A 43 -4.386 0.761 -8.638 1.00 0.00 C ATOM 735 O THR A 43 -3.875 0.992 -9.734 1.00 0.00 O ATOM 736 CB THR A 43 -6.807 1.370 -8.304 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.152 0.902 -8.482 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.540 2.537 -9.248 1.00 0.00 C ATOM 0 H THR A 43 -6.601 -0.545 -6.748 1.00 0.00 H new ATOM 0 HA THR A 43 -6.052 -0.290 -9.475 1.00 0.00 H new ATOM 0 HB THR A 43 -6.671 1.726 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.336 0.184 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.259 3.333 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.530 2.913 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.640 2.200 -10.280 1.00 0.00 H new ATOM 746 N ALA A 44 -3.746 0.944 -7.493 1.00 0.00 N ATOM 747 CA ALA A 44 -2.420 1.544 -7.445 1.00 0.00 C ATOM 748 C ALA A 44 -1.354 0.605 -7.994 1.00 0.00 C ATOM 749 O ALA A 44 -0.536 0.991 -8.829 1.00 0.00 O ATOM 750 CB ALA A 44 -2.083 1.924 -6.019 1.00 0.00 C ATOM 0 H ALA A 44 -4.124 0.685 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.434 2.435 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.090 2.373 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.817 2.640 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.099 1.033 -5.392 1.00 0.00 H new ATOM 756 N ILE A 45 -1.374 -0.629 -7.522 1.00 0.00 N ATOM 757 CA ILE A 45 -0.362 -1.609 -7.890 1.00 0.00 C ATOM 758 C ILE A 45 -0.656 -2.229 -9.249 1.00 0.00 C ATOM 759 O ILE A 45 0.213 -2.862 -9.852 1.00 0.00 O ATOM 760 CB ILE A 45 -0.258 -2.736 -6.843 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.651 -3.237 -6.451 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.498 -2.252 -5.619 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.643 -4.266 -5.348 1.00 0.00 C ATOM 0 H ILE A 45 -2.084 -0.980 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 45 0.585 -1.072 -7.935 1.00 0.00 H new ATOM 0 HB ILE A 45 0.293 -3.567 -7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.257 -2.387 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.133 -3.665 -7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.563 -3.059 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.502 -1.944 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.028 -1.405 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.666 -4.571 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.066 -5.135 -5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.192 -3.837 -4.453 1.00 0.00 H new ATOM 775 N GLY A 46 -1.886 -2.052 -9.718 1.00 0.00 N ATOM 776 CA GLY A 46 -2.292 -2.636 -10.981 1.00 0.00 C ATOM 777 C GLY A 46 -2.189 -4.145 -10.956 1.00 0.00 C ATOM 778 O GLY A 46 -1.697 -4.758 -11.903 1.00 0.00 O ATOM 0 H GLY A 46 -2.611 -1.513 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.318 -2.345 -11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.667 -2.241 -11.782 1.00 0.00 H new ATOM 782 N ARG A 47 -2.642 -4.738 -9.862 1.00 0.00 N ATOM 783 CA ARG A 47 -2.533 -6.176 -9.670 1.00 0.00 C ATOM 784 C ARG A 47 -3.908 -6.813 -9.591 1.00 0.00 C ATOM 785 O ARG A 47 -4.894 -6.145 -9.283 1.00 0.00 O ATOM 786 CB ARG A 47 -1.756 -6.480 -8.391 1.00 0.00 C ATOM 787 CG ARG A 47 -0.551 -7.375 -8.605 1.00 0.00 C ATOM 788 CD ARG A 47 0.717 -6.713 -8.101 1.00 0.00 C ATOM 789 NE ARG A 47 1.113 -5.587 -8.952 1.00 0.00 N ATOM 790 CZ ARG A 47 2.345 -5.404 -9.428 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.330 -6.224 -9.084 1.00 0.00 N ATOM 792 NH2 ARG A 47 2.594 -4.385 -10.243 1.00 0.00 N ATOM 0 H ARG A 47 -3.090 -4.243 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.000 -6.593 -10.525 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.425 -5.541 -7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.426 -6.954 -7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.701 -8.322 -8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.448 -7.605 -9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.564 -6.362 -7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.523 -7.446 -8.069 1.00 0.00 H new ATOM 0 HE ARG A 47 0.400 -4.899 -9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.148 -7.002 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.269 -6.076 -9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.844 -3.745 -10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.536 -4.243 -10.609 1.00 0.00 H new ATOM 806 N THR A 48 -3.966 -8.103 -9.872 1.00 0.00 N ATOM 807 CA THR A 48 -5.200 -8.852 -9.763 1.00 0.00 C ATOM 808 C THR A 48 -5.378 -9.359 -8.335 1.00 0.00 C ATOM 809 O THR A 48 -4.425 -9.391 -7.552 1.00 0.00 O ATOM 810 CB THR A 48 -5.216 -10.039 -10.742 1.00 0.00 C ATOM 811 OG1 THR A 48 -3.982 -10.082 -11.477 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.382 -9.927 -11.712 1.00 0.00 C ATOM 0 H THR A 48 -3.165 -8.655 -10.179 1.00 0.00 H new ATOM 0 HA THR A 48 -6.024 -8.186 -10.018 1.00 0.00 H new ATOM 0 HB THR A 48 -5.331 -10.956 -10.165 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.997 -10.840 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.371 -10.778 -12.393 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.319 -9.920 -11.155 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.292 -9.003 -12.283 1.00 0.00 H new ATOM 820 N GLU A 49 -6.585 -9.783 -8.004 1.00 0.00 N ATOM 821 CA GLU A 49 -6.905 -10.197 -6.643 1.00 0.00 C ATOM 822 C GLU A 49 -6.384 -11.601 -6.366 1.00 0.00 C ATOM 823 O GLU A 49 -6.548 -12.128 -5.270 1.00 0.00 O ATOM 824 CB GLU A 49 -8.415 -10.125 -6.382 1.00 0.00 C ATOM 825 CG GLU A 49 -9.205 -9.427 -7.478 1.00 0.00 C ATOM 826 CD GLU A 49 -9.619 -10.371 -8.586 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.696 -10.991 -8.474 1.00 0.00 O ATOM 828 OE2 GLU A 49 -8.868 -10.493 -9.576 1.00 0.00 O ATOM 0 H GLU A 49 -7.364 -9.851 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.410 -9.505 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.800 -11.138 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.585 -9.604 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.094 -8.969 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.603 -8.621 -7.898 1.00 0.00 H new ATOM 835 N GLU A 50 -5.772 -12.210 -7.372 1.00 0.00 N ATOM 836 CA GLU A 50 -5.168 -13.527 -7.217 1.00 0.00 C ATOM 837 C GLU A 50 -3.672 -13.405 -6.937 1.00 0.00 C ATOM 838 O GLU A 50 -3.025 -14.366 -6.522 1.00 0.00 O ATOM 839 CB GLU A 50 -5.386 -14.377 -8.469 1.00 0.00 C ATOM 840 CG GLU A 50 -6.499 -13.871 -9.364 1.00 0.00 C ATOM 841 CD GLU A 50 -7.307 -14.994 -9.976 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.745 -16.088 -10.199 1.00 0.00 O ATOM 843 OE2 GLU A 50 -8.510 -14.787 -10.230 1.00 0.00 O ATOM 0 H GLU A 50 -5.680 -11.812 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.650 -14.015 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.459 -14.410 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.611 -15.400 -8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.160 -13.225 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.072 -13.260 -10.159 1.00 0.00 H new ATOM 850 N THR A 51 -3.126 -12.218 -7.163 1.00 0.00 N ATOM 851 CA THR A 51 -1.695 -11.997 -7.012 1.00 0.00 C ATOM 852 C THR A 51 -1.395 -11.096 -5.818 1.00 0.00 C ATOM 853 O THR A 51 -0.315 -11.150 -5.236 1.00 0.00 O ATOM 854 CB THR A 51 -1.122 -11.359 -8.289 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.137 -10.580 -8.935 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.625 -12.425 -9.247 1.00 0.00 C ATOM 0 H THR A 51 -3.653 -11.393 -7.452 1.00 0.00 H new ATOM 0 HA THR A 51 -1.225 -12.966 -6.840 1.00 0.00 H new ATOM 0 HB THR A 51 -0.284 -10.720 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.770 -10.173 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.224 -11.951 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.158 -13.011 -8.765 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.451 -13.081 -9.522 1.00 0.00 H new ATOM 864 N VAL A 52 -2.375 -10.288 -5.446 1.00 0.00 N ATOM 865 CA VAL A 52 -2.227 -9.321 -4.364 1.00 0.00 C ATOM 866 C VAL A 52 -2.462 -9.980 -2.986 1.00 0.00 C ATOM 867 O VAL A 52 -2.863 -9.332 -2.017 1.00 0.00 O ATOM 868 CB VAL A 52 -3.215 -8.146 -4.577 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.654 -8.595 -4.366 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.875 -6.962 -3.682 1.00 0.00 C ATOM 0 H VAL A 52 -3.296 -10.282 -5.884 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.205 -8.941 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.114 -7.816 -5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.325 -7.750 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.896 -9.386 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.773 -8.970 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.588 -6.157 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.925 -7.269 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.868 -6.611 -3.909 1.00 0.00 H new ATOM 880 N VAL A 53 -2.204 -11.279 -2.898 1.00 0.00 N ATOM 881 CA VAL A 53 -2.501 -12.021 -1.674 1.00 0.00 C ATOM 882 C VAL A 53 -1.314 -12.847 -1.188 1.00 0.00 C ATOM 883 O VAL A 53 -1.318 -13.333 -0.055 1.00 0.00 O ATOM 884 CB VAL A 53 -3.711 -12.968 -1.850 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.801 -12.632 -0.845 1.00 0.00 C ATOM 886 CG2 VAL A 53 -4.260 -12.915 -3.271 1.00 0.00 C ATOM 0 H VAL A 53 -1.795 -11.837 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.735 -11.260 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.366 -13.985 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.645 -13.308 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.410 -12.742 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.131 -11.604 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.109 -13.593 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.582 -11.899 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.482 -13.216 -3.973 1.00 0.00 H new ATOM 896 N SER A 54 -0.308 -13.015 -2.034 1.00 0.00 N ATOM 897 CA SER A 54 0.825 -13.869 -1.708 1.00 0.00 C ATOM 898 C SER A 54 1.766 -13.195 -0.701 1.00 0.00 C ATOM 899 O SER A 54 1.535 -13.248 0.508 1.00 0.00 O ATOM 900 CB SER A 54 1.565 -14.229 -2.993 1.00 0.00 C ATOM 901 OG SER A 54 0.965 -13.588 -4.106 1.00 0.00 O ATOM 0 H SER A 54 -0.253 -12.572 -2.951 1.00 0.00 H new ATOM 0 HA SER A 54 0.456 -14.780 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.610 -13.931 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.552 -15.309 -3.137 1.00 0.00 H new ATOM 0 HG SER A 54 1.451 -13.827 -4.923 1.00 0.00 H new ATOM 907 N GLN A 55 2.820 -12.561 -1.198 1.00 0.00 N ATOM 908 CA GLN A 55 3.764 -11.867 -0.333 1.00 0.00 C ATOM 909 C GLN A 55 3.616 -10.365 -0.512 1.00 0.00 C ATOM 910 O GLN A 55 4.386 -9.581 0.043 1.00 0.00 O ATOM 911 CB GLN A 55 5.198 -12.296 -0.648 1.00 0.00 C ATOM 912 CG GLN A 55 6.028 -12.602 0.588 1.00 0.00 C ATOM 913 CD GLN A 55 6.943 -11.457 0.976 1.00 0.00 C ATOM 914 OE1 GLN A 55 6.624 -10.663 1.866 1.00 0.00 O ATOM 915 NE2 GLN A 55 8.083 -11.362 0.315 1.00 0.00 N ATOM 0 H GLN A 55 3.042 -12.513 -2.192 1.00 0.00 H new ATOM 0 HA GLN A 55 3.547 -12.128 0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.172 -13.180 -1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.688 -11.506 -1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.362 -12.828 1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.627 -13.495 0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.308 -12.039 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.738 -10.611 0.533 1.00 0.00 H new ATOM 924 N LEU A 56 2.609 -9.977 -1.284 1.00 0.00 N ATOM 925 CA LEU A 56 2.373 -8.577 -1.594 1.00 0.00 C ATOM 926 C LEU A 56 1.970 -7.797 -0.351 1.00 0.00 C ATOM 927 O LEU A 56 0.872 -7.964 0.180 1.00 0.00 O ATOM 928 CB LEU A 56 1.295 -8.446 -2.669 1.00 0.00 C ATOM 929 CG LEU A 56 1.723 -7.663 -3.907 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.567 -8.513 -5.156 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.918 -6.380 -4.023 1.00 0.00 C ATOM 0 H LEU A 56 1.940 -10.619 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 56 3.305 -8.156 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.984 -9.444 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.422 -7.961 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 56 2.776 -7.400 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.877 -7.938 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.188 -9.404 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.524 -8.808 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.234 -5.831 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.142 -6.621 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.084 -5.765 -3.138 1.00 0.00 H new ATOM 943 N ARG A 57 2.885 -6.965 0.119 1.00 0.00 N ATOM 944 CA ARG A 57 2.635 -6.100 1.256 1.00 0.00 C ATOM 945 C ARG A 57 2.993 -4.672 0.877 1.00 0.00 C ATOM 946 O ARG A 57 4.023 -4.439 0.261 1.00 0.00 O ATOM 947 CB ARG A 57 3.465 -6.550 2.461 1.00 0.00 C ATOM 948 CG ARG A 57 2.656 -7.254 3.538 1.00 0.00 C ATOM 949 CD ARG A 57 2.231 -8.647 3.097 1.00 0.00 C ATOM 950 NE ARG A 57 3.368 -9.558 2.984 1.00 0.00 N ATOM 951 CZ ARG A 57 3.401 -10.780 3.512 1.00 0.00 C ATOM 952 NH1 ARG A 57 2.351 -11.256 4.171 1.00 0.00 N ATOM 953 NH2 ARG A 57 4.483 -11.531 3.375 1.00 0.00 N ATOM 0 H ARG A 57 3.820 -6.872 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 57 1.581 -6.154 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.254 -7.219 2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.954 -5.680 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.248 -7.325 4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.773 -6.662 3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.514 -9.050 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.721 -8.583 2.136 1.00 0.00 H new ATOM 0 HE ARG A 57 4.188 -9.238 2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.512 -10.685 4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.383 -12.193 4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.291 -11.173 2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.509 -12.467 3.779 1.00 0.00 H new ATOM 967 N ILE A 58 2.139 -3.724 1.216 1.00 0.00 N ATOM 968 CA ILE A 58 2.385 -2.335 0.855 1.00 0.00 C ATOM 969 C ILE A 58 3.012 -1.586 2.022 1.00 0.00 C ATOM 970 O ILE A 58 2.547 -1.700 3.156 1.00 0.00 O ATOM 971 CB ILE A 58 1.082 -1.629 0.421 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.397 -2.412 -0.708 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.363 -0.198 -0.017 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.310 -2.721 -1.879 1.00 0.00 C ATOM 0 H ILE A 58 1.276 -3.885 1.736 1.00 0.00 H new ATOM 0 HA ILE A 58 3.076 -2.330 0.012 1.00 0.00 H new ATOM 0 HB ILE A 58 0.409 -1.597 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.009 -3.347 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.459 -1.840 -1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.431 0.280 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.804 0.356 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.056 -0.204 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.756 -3.276 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.679 -1.790 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.153 -3.320 -1.535 1.00 0.00 H new ATOM 986 N CYS A 59 4.076 -0.846 1.748 1.00 0.00 N ATOM 987 CA CYS A 59 4.777 -0.121 2.788 1.00 0.00 C ATOM 988 C CYS A 59 4.217 1.295 2.957 1.00 0.00 C ATOM 989 O CYS A 59 3.607 1.854 2.044 1.00 0.00 O ATOM 990 CB CYS A 59 6.290 -0.169 2.505 1.00 0.00 C ATOM 991 SG CYS A 59 7.034 1.200 1.558 1.00 0.00 S ATOM 0 H CYS A 59 4.470 -0.734 0.814 1.00 0.00 H new ATOM 0 HA CYS A 59 4.615 -0.600 3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.806 -0.230 3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.499 -1.096 1.971 1.00 0.00 H new ATOM 0 HG CYS A 59 7.677 0.721 0.535 1.00 0.00 H new ATOM 996 N SER A 60 4.410 1.849 4.147 1.00 0.00 N ATOM 997 CA SER A 60 3.782 3.109 4.543 1.00 0.00 C ATOM 998 C SER A 60 4.303 4.317 3.757 1.00 0.00 C ATOM 999 O SER A 60 3.830 5.437 3.958 1.00 0.00 O ATOM 1000 CB SER A 60 3.993 3.340 6.042 1.00 0.00 C ATOM 1001 OG SER A 60 2.771 3.249 6.758 1.00 0.00 O ATOM 0 H SER A 60 5.006 1.440 4.867 1.00 0.00 H new ATOM 0 HA SER A 60 2.720 3.018 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.699 2.605 6.429 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.437 4.323 6.201 1.00 0.00 H new ATOM 0 HG SER A 60 2.526 4.134 7.100 1.00 0.00 H new ATOM 1007 N ALA A 61 5.249 4.100 2.852 1.00 0.00 N ATOM 1008 CA ALA A 61 5.822 5.200 2.079 1.00 0.00 C ATOM 1009 C ALA A 61 5.000 5.479 0.827 1.00 0.00 C ATOM 1010 O ALA A 61 5.422 6.222 -0.055 1.00 0.00 O ATOM 1011 CB ALA A 61 7.260 4.892 1.710 1.00 0.00 C ATOM 0 H ALA A 61 5.635 3.181 2.635 1.00 0.00 H new ATOM 0 HA ALA A 61 5.803 6.095 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.673 5.720 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.847 4.752 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.295 3.981 1.112 1.00 0.00 H new ATOM 1017 N HIS A 62 3.828 4.871 0.755 1.00 0.00 N ATOM 1018 CA HIS A 62 2.933 5.052 -0.382 1.00 0.00 C ATOM 1019 C HIS A 62 1.644 5.705 0.081 1.00 0.00 C ATOM 1020 O HIS A 62 0.591 5.544 -0.531 1.00 0.00 O ATOM 1021 CB HIS A 62 2.649 3.701 -1.048 1.00 0.00 C ATOM 1022 CG HIS A 62 3.880 2.995 -1.455 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.535 3.117 -2.675 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.611 2.163 -0.715 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.641 2.343 -2.606 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.697 1.764 -1.430 1.00 0.00 N ATOM 0 H HIS A 62 3.470 4.243 1.474 1.00 0.00 H new ATOM 0 HA HIS A 62 3.409 5.702 -1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.086 3.072 -0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.019 3.858 -1.924 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.238 3.682 -3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.378 1.854 0.293 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.366 2.220 -3.397 1.00 0.00 H new ATOM 1034 N PHE A 63 1.744 6.439 1.179 1.00 0.00 N ATOM 1035 CA PHE A 63 0.598 7.110 1.766 1.00 0.00 C ATOM 1036 C PHE A 63 0.982 8.507 2.218 1.00 0.00 C ATOM 1037 O PHE A 63 1.921 8.672 2.997 1.00 0.00 O ATOM 1038 CB PHE A 63 0.073 6.321 2.970 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.441 4.955 2.623 1.00 0.00 C ATOM 1040 CD1 PHE A 63 -1.753 4.782 2.215 1.00 0.00 C ATOM 1041 CD2 PHE A 63 0.387 3.846 2.703 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -2.229 3.527 1.896 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -0.085 2.591 2.383 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.394 2.432 1.980 1.00 0.00 C ATOM 0 H PHE A 63 2.618 6.585 1.685 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.183 7.173 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.873 6.222 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.727 6.890 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.409 5.637 2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.413 3.967 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.254 3.402 1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.569 1.734 2.448 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.766 1.449 1.730 1.00 0.00 H new ATOM 1054 N GLU A 64 0.274 9.509 1.714 1.00 0.00 N ATOM 1055 CA GLU A 64 0.443 10.873 2.191 1.00 0.00 C ATOM 1056 C GLU A 64 0.026 10.948 3.655 1.00 0.00 C ATOM 1057 O GLU A 64 -1.157 10.850 3.983 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.385 11.847 1.349 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.298 13.291 1.819 1.00 0.00 C ATOM 1060 CD GLU A 64 0.979 13.972 1.375 1.00 0.00 C ATOM 1061 OE1 GLU A 64 2.006 13.842 2.075 1.00 0.00 O ATOM 1062 OE2 GLU A 64 0.959 14.656 0.328 1.00 0.00 O ATOM 0 H GLU A 64 -0.422 9.402 0.976 1.00 0.00 H new ATOM 0 HA GLU A 64 1.491 11.157 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.052 11.791 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.428 11.531 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.154 13.846 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.361 13.320 2.907 1.00 0.00 H new ATOM 1069 N GLY A 65 1.010 11.102 4.525 1.00 0.00 N ATOM 1070 CA GLY A 65 0.765 11.052 5.949 1.00 0.00 C ATOM 1071 C GLY A 65 1.550 9.928 6.587 1.00 0.00 C ATOM 1072 O GLY A 65 2.015 10.043 7.721 1.00 0.00 O ATOM 0 H GLY A 65 1.984 11.262 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.045 12.002 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.300 10.910 6.135 1.00 0.00 H new ATOM 1076 N GLY A 66 1.707 8.841 5.842 1.00 0.00 N ATOM 1077 CA GLY A 66 2.519 7.731 6.296 1.00 0.00 C ATOM 1078 C GLY A 66 1.738 6.656 7.027 1.00 0.00 C ATOM 1079 O GLY A 66 2.333 5.757 7.623 1.00 0.00 O ATOM 0 H GLY A 66 1.282 8.709 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.017 7.283 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.300 8.111 6.955 1.00 0.00 H new ATOM 1083 N GLU A 67 0.411 6.728 6.979 1.00 0.00 N ATOM 1084 CA GLU A 67 -0.416 5.755 7.680 1.00 0.00 C ATOM 1085 C GLU A 67 -1.805 5.631 7.056 1.00 0.00 C ATOM 1086 O GLU A 67 -2.427 6.631 6.700 1.00 0.00 O ATOM 1087 CB GLU A 67 -0.549 6.150 9.154 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.021 5.018 10.056 1.00 0.00 C ATOM 1089 CD GLU A 67 -1.515 5.516 11.399 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -0.891 6.432 11.965 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -2.538 5.000 11.897 1.00 0.00 O ATOM 0 H GLU A 67 -0.109 7.442 6.468 1.00 0.00 H new ATOM 0 HA GLU A 67 0.076 4.786 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.416 6.509 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.249 6.982 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.821 4.470 9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.202 4.315 10.211 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.269 4.396 6.913 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.649 4.127 6.525 1.00 0.00 C ATOM 1100 C LYS A 68 -4.560 4.323 7.734 1.00 0.00 C ATOM 1101 O LYS A 68 -4.496 3.557 8.698 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.786 2.706 5.989 1.00 0.00 C ATOM 1103 CG LYS A 68 -5.146 2.420 5.375 1.00 0.00 C ATOM 1104 CD LYS A 68 -5.757 1.154 5.948 1.00 0.00 C ATOM 1105 CE LYS A 68 -6.516 1.432 7.237 1.00 0.00 C ATOM 1106 NZ LYS A 68 -7.990 1.401 7.040 1.00 0.00 N ATOM 0 H LYS A 68 -1.706 3.559 7.061 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.939 4.819 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.014 2.533 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.607 2.001 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.813 3.262 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.045 2.320 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.432 0.712 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.971 0.424 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.236 0.693 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.224 2.408 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.465 1.443 7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.281 2.217 6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.257 0.521 6.554 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.397 5.344 7.685 1.00 0.00 N ATOM 1121 CA LYS A 69 -6.255 5.684 8.814 1.00 0.00 C ATOM 1122 C LYS A 69 -7.722 5.463 8.467 1.00 0.00 C ATOM 1123 O LYS A 69 -8.533 5.110 9.325 1.00 0.00 O ATOM 1124 CB LYS A 69 -6.033 7.141 9.231 1.00 0.00 C ATOM 1125 CG LYS A 69 -4.613 7.439 9.687 1.00 0.00 C ATOM 1126 CD LYS A 69 -4.575 8.623 10.636 1.00 0.00 C ATOM 1127 CE LYS A 69 -3.409 8.523 11.605 1.00 0.00 C ATOM 1128 NZ LYS A 69 -3.648 7.504 12.660 1.00 0.00 N ATOM 0 H LYS A 69 -5.503 5.955 6.875 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.993 5.031 9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.279 7.791 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.723 7.387 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.196 6.561 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.986 7.645 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.495 9.547 10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.510 8.673 11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.502 8.271 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.240 9.494 12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.988 7.659 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.625 7.585 13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.498 6.554 12.265 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.051 5.661 7.203 1.00 0.00 N ATOM 1143 CA GLU A 70 -9.416 5.521 6.727 1.00 0.00 C ATOM 1144 C GLU A 70 -9.439 4.680 5.456 1.00 0.00 C ATOM 1145 O GLU A 70 -8.929 3.555 5.433 1.00 0.00 O ATOM 1146 CB GLU A 70 -10.010 6.904 6.455 1.00 0.00 C ATOM 1147 CG GLU A 70 -10.779 7.483 7.627 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.911 8.384 7.185 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -12.075 8.583 5.961 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -12.644 8.895 8.058 1.00 0.00 O ATOM 0 H GLU A 70 -7.382 5.923 6.479 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.014 5.021 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.205 7.588 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.674 6.840 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.180 6.670 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.097 8.047 8.263 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.024 5.230 4.401 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.026 4.559 3.120 1.00 0.00 C ATOM 1159 C GLY A 71 -8.884 5.022 2.244 1.00 0.00 C ATOM 1160 O GLY A 71 -9.077 5.326 1.068 1.00 0.00 O ATOM 0 H GLY A 71 -10.499 6.133 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.954 3.482 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.973 4.746 2.613 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.697 5.096 2.829 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.509 5.540 2.112 1.00 0.00 C ATOM 1166 C ASP A 72 -6.022 4.458 1.163 1.00 0.00 C ATOM 1167 O ASP A 72 -5.677 3.361 1.594 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.380 5.893 3.091 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.858 6.694 4.283 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.348 6.081 5.254 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.744 7.935 4.260 1.00 0.00 O ATOM 0 H ASP A 72 -7.530 4.852 3.805 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.780 6.428 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.911 4.974 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.613 6.460 2.563 1.00 0.00 H new ATOM 1176 N ILE A 73 -6.015 4.768 -0.121 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.460 3.877 -1.126 1.00 0.00 C ATOM 1178 C ILE A 73 -3.986 4.218 -1.311 1.00 0.00 C ATOM 1179 O ILE A 73 -3.621 5.392 -1.291 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.207 4.029 -2.473 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.670 3.625 -2.316 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.553 3.208 -3.578 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.585 4.276 -3.331 1.00 0.00 C ATOM 0 H ILE A 73 -6.391 5.639 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.573 2.845 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.152 5.079 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.752 2.542 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.006 3.888 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.107 3.342 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.524 3.540 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.559 2.154 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.610 3.945 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.532 5.360 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.273 3.993 -4.336 1.00 0.00 H new ATOM 1195 N PRO A 74 -3.113 3.218 -1.472 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.691 3.474 -1.670 1.00 0.00 C ATOM 1197 C PRO A 74 -1.451 4.192 -2.991 1.00 0.00 C ATOM 1198 O PRO A 74 -2.173 3.974 -3.958 1.00 0.00 O ATOM 1199 CB PRO A 74 -1.066 2.077 -1.690 1.00 0.00 C ATOM 1200 CG PRO A 74 -2.182 1.159 -2.053 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.433 1.784 -1.505 1.00 0.00 C ATOM 0 HA PRO A 74 -1.266 4.114 -0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.255 2.018 -2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.644 1.820 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.249 1.036 -3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.024 0.167 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.295 1.580 -2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.671 1.403 -0.512 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.469 5.069 -3.031 1.00 0.00 N ATOM 1210 CA VAL A 75 -0.142 5.751 -4.268 1.00 0.00 C ATOM 1211 C VAL A 75 1.249 5.367 -4.741 1.00 0.00 C ATOM 1212 O VAL A 75 2.117 5.019 -3.939 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.247 7.289 -4.151 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.653 7.741 -4.512 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.135 7.769 -2.757 1.00 0.00 C ATOM 0 H VAL A 75 0.111 5.325 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.881 5.428 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 75 0.459 7.734 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.719 8.826 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.880 7.442 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.369 7.279 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.050 8.855 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.533 7.321 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.162 7.476 -2.540 1.00 0.00 H new ATOM 1225 N PRO A 76 1.466 5.417 -6.060 1.00 0.00 N ATOM 1226 CA PRO A 76 2.749 5.056 -6.670 1.00 0.00 C ATOM 1227 C PRO A 76 3.876 5.929 -6.149 1.00 0.00 C ATOM 1228 O PRO A 76 4.985 5.463 -5.884 1.00 0.00 O ATOM 1229 CB PRO A 76 2.533 5.321 -8.163 1.00 0.00 C ATOM 1230 CG PRO A 76 1.054 5.350 -8.354 1.00 0.00 C ATOM 1231 CD PRO A 76 0.471 5.841 -7.061 1.00 0.00 C ATOM 0 HA PRO A 76 3.032 4.027 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 76 2.986 6.266 -8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.992 4.541 -8.770 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.781 6.009 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.674 4.358 -8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.339 6.923 -7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -0.507 5.401 -6.868 1.00 0.00 H new ATOM 1239 N ASP A 77 3.558 7.198 -5.986 1.00 0.00 N ATOM 1240 CA ASP A 77 4.520 8.196 -5.570 1.00 0.00 C ATOM 1241 C ASP A 77 3.776 9.377 -4.972 1.00 0.00 C ATOM 1242 O ASP A 77 3.232 10.193 -5.705 1.00 0.00 O ATOM 1243 CB ASP A 77 5.343 8.650 -6.782 1.00 0.00 C ATOM 1244 CG ASP A 77 6.604 9.393 -6.402 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.543 10.255 -5.510 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.662 9.127 -7.009 1.00 0.00 O ATOM 0 H ASP A 77 2.619 7.567 -6.140 1.00 0.00 H new ATOM 0 HA ASP A 77 5.195 7.777 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.609 7.778 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.727 9.292 -7.412 1.00 0.00 H new ATOM 1251 N PRO A 78 3.714 9.483 -3.636 1.00 0.00 N ATOM 1252 CA PRO A 78 2.992 10.571 -2.970 1.00 0.00 C ATOM 1253 C PRO A 78 3.609 11.938 -3.254 1.00 0.00 C ATOM 1254 O PRO A 78 3.007 12.973 -2.967 1.00 0.00 O ATOM 1255 CB PRO A 78 3.106 10.232 -1.483 1.00 0.00 C ATOM 1256 CG PRO A 78 4.295 9.343 -1.383 1.00 0.00 C ATOM 1257 CD PRO A 78 4.335 8.563 -2.670 1.00 0.00 C ATOM 0 HA PRO A 78 1.963 10.643 -3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.234 11.132 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.207 9.732 -1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.207 9.924 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.213 8.676 -0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.356 8.307 -2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.782 7.627 -2.592 1.00 0.00 H new ATOM 1265 N THR A 79 4.807 11.936 -3.819 1.00 0.00 N ATOM 1266 CA THR A 79 5.485 13.169 -4.172 1.00 0.00 C ATOM 1267 C THR A 79 5.190 13.561 -5.620 1.00 0.00 C ATOM 1268 O THR A 79 5.533 14.663 -6.056 1.00 0.00 O ATOM 1269 CB THR A 79 7.007 13.036 -3.976 1.00 0.00 C ATOM 1270 OG1 THR A 79 7.332 11.693 -3.600 1.00 0.00 O ATOM 1271 CG2 THR A 79 7.502 13.988 -2.905 1.00 0.00 C ATOM 0 H THR A 79 5.330 11.089 -4.043 1.00 0.00 H new ATOM 0 HA THR A 79 5.109 13.949 -3.510 1.00 0.00 H new ATOM 0 HB THR A 79 7.494 13.286 -4.919 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.413 11.139 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.580 13.874 -2.786 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.276 15.014 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.007 13.762 -1.960 1.00 0.00 H new ATOM 1279 N VAL A 80 4.550 12.658 -6.362 1.00 0.00 N ATOM 1280 CA VAL A 80 4.249 12.900 -7.769 1.00 0.00 C ATOM 1281 C VAL A 80 2.764 12.672 -8.062 1.00 0.00 C ATOM 1282 O VAL A 80 2.055 13.593 -8.468 1.00 0.00 O ATOM 1283 CB VAL A 80 5.112 11.995 -8.685 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.594 11.993 -10.117 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.569 12.437 -8.648 1.00 0.00 C ATOM 0 H VAL A 80 4.231 11.755 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 80 4.489 13.942 -7.980 1.00 0.00 H new ATOM 0 HB VAL A 80 5.042 10.976 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.223 11.348 -10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.569 11.622 -10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.618 13.008 -10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.162 11.792 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.645 13.468 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.944 12.369 -7.627 1.00 0.00 H new ATOM 1295 N ASP A 81 2.300 11.452 -7.826 1.00 0.00 N ATOM 1296 CA ASP A 81 0.918 11.081 -8.110 1.00 0.00 C ATOM 1297 C ASP A 81 -0.020 11.665 -7.059 1.00 0.00 C ATOM 1298 O ASP A 81 0.420 12.157 -6.017 1.00 0.00 O ATOM 1299 CB ASP A 81 0.767 9.554 -8.156 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.313 9.096 -9.126 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.369 9.756 -9.214 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.113 8.066 -9.803 1.00 0.00 O ATOM 0 H ASP A 81 2.864 10.697 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 81 0.651 11.489 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.719 9.108 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.531 9.187 -7.157 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.308 11.590 -7.334 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.318 12.142 -6.450 1.00 0.00 C ATOM 1309 C LYS A 82 -2.843 11.064 -5.514 1.00 0.00 C ATOM 1310 O LYS A 82 -3.513 10.129 -5.955 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.476 12.744 -7.254 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.106 13.137 -8.679 1.00 0.00 C ATOM 1313 CD LYS A 82 -3.760 12.219 -9.700 1.00 0.00 C ATOM 1314 CE LYS A 82 -2.964 12.162 -10.995 1.00 0.00 C ATOM 1315 NZ LYS A 82 -2.596 10.768 -11.358 1.00 0.00 N ATOM 0 H LYS A 82 -1.683 11.147 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.857 12.935 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.294 12.024 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.848 13.625 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.413 14.166 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.023 13.101 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.849 11.216 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.771 12.569 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.549 12.605 -11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.059 12.761 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.930 10.782 -12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.149 10.303 -10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.451 10.243 -11.630 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.463 11.182 -4.242 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.972 10.334 -3.162 1.00 0.00 C ATOM 1331 C GLN A 83 -4.444 9.968 -3.367 1.00 0.00 C ATOM 1332 O GLN A 83 -5.325 10.826 -3.289 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.795 11.050 -1.817 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.456 10.339 -0.644 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.825 8.994 -0.346 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.617 8.891 -0.137 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.639 7.955 -0.329 1.00 0.00 N ATOM 0 H GLN A 83 -1.785 11.877 -3.928 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.399 9.407 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.730 11.156 -1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.206 12.057 -1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.391 10.971 0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.515 10.199 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.635 8.084 -0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.272 7.023 -0.137 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.702 8.693 -3.641 1.00 0.00 N ATOM 1347 CA ILE A 84 -6.061 8.226 -3.822 1.00 0.00 C ATOM 1348 C ILE A 84 -6.667 7.864 -2.474 1.00 0.00 C ATOM 1349 O ILE A 84 -6.106 7.062 -1.733 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.164 7.001 -4.763 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.099 7.039 -5.863 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.547 6.951 -5.389 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.214 5.812 -5.893 1.00 0.00 C ATOM 0 H ILE A 84 -3.987 7.972 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.609 9.044 -4.289 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.994 6.105 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.591 7.145 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.476 7.923 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.616 6.088 -6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.299 6.868 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.720 7.862 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.484 5.909 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.694 5.715 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.826 4.926 -6.064 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.793 8.469 -2.139 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.446 8.192 -0.869 1.00 0.00 C ATOM 1367 C LYS A 85 -9.954 8.093 -1.054 1.00 0.00 C ATOM 1368 O LYS A 85 -10.542 8.840 -1.839 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.081 9.277 0.159 1.00 0.00 C ATOM 1370 CG LYS A 85 -9.219 9.683 1.086 1.00 0.00 C ATOM 1371 CD LYS A 85 -9.064 9.069 2.471 1.00 0.00 C ATOM 1372 CE LYS A 85 -9.807 9.876 3.522 1.00 0.00 C ATOM 1373 NZ LYS A 85 -11.231 9.471 3.632 1.00 0.00 N ATOM 0 H LYS A 85 -8.273 9.152 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.094 7.232 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.248 8.920 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.732 10.161 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.249 10.769 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.170 9.370 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.441 8.046 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.007 9.016 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.319 9.749 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.750 10.936 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.836 10.214 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.380 8.583 3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.476 9.332 4.633 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.569 7.151 -0.355 1.00 0.00 N ATOM 1388 CA ILE A 86 -12.016 7.013 -0.362 1.00 0.00 C ATOM 1389 C ILE A 86 -12.582 7.421 0.988 1.00 0.00 C ATOM 1390 O ILE A 86 -11.912 7.288 2.018 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.478 5.568 -0.666 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.411 4.795 -1.441 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.786 5.583 -1.441 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.299 3.344 -1.024 1.00 0.00 C ATOM 0 H ILE A 86 -10.085 6.468 0.227 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.385 7.663 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.636 5.060 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.640 4.843 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.446 5.282 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.098 4.559 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.553 6.084 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.646 6.116 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.524 2.855 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.040 3.288 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.252 2.843 -1.191 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.801 7.938 0.982 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.499 8.237 2.219 1.00 0.00 C ATOM 1408 C GLU A 87 -14.961 6.936 2.861 1.00 0.00 C ATOM 1409 O GLU A 87 -15.489 6.051 2.182 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.684 9.171 1.960 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.268 10.595 1.620 1.00 0.00 C ATOM 1412 CD GLU A 87 -14.423 11.235 2.707 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.202 10.976 2.750 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -14.976 11.999 3.527 1.00 0.00 O ATOM 0 H GLU A 87 -14.325 8.158 0.135 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.820 8.749 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.281 8.770 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.323 9.188 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.708 10.592 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.160 11.200 1.455 1.00 0.00 H new