USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 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 26 HIS : no HD1:sc= -0.161 X(o=0.68,f=0.77) USER MOD Set 1.2: A 60 SER OG : rot 140:sc= 0.839 USER MOD Set 2.1: A 7 CYS SG : rot 107:sc= -3.38! USER MOD Set 2.2: A 12 CYS SG : rot 87:sc= 1.44 USER MOD Set 2.3: A 59 CYS SG : rot 144:sc= -1.48! USER MOD Set 2.4: A 62 HIS : no HE2:sc= -1.65! C(o=-5.1!,f=-8.9!) USER MOD Single : A 6 THR OG1 : rot 15:sc= 0.693 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.00024) USER MOD Single : A 13 LYS NZ :NH3+ 145:sc= 0.959 (180deg=0.873) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.09) USER MOD Single : A 39 GLN : amide:sc= -0.411 K(o=-0.41,f=-3.8!) USER MOD Single : A 43 THR OG1 : rot 59:sc= 0.32 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 25:sc= 0.633 USER MOD Single : A 54 SER OG : rot 1:sc= 1.14 USER MOD Single : A 55 GLN : amide:sc= 0.535 K(o=0.53,f=-6.6!) USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= 0.532 (180deg=-1.77!) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -2.21! (180deg=-2.56!) USER MOD Single : A 79 THR OG1 : rot 57:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -0.0391 (180deg=-0.311) USER MOD Single : A 83 GLN : amide:sc= 1.06 K(o=1.1,f=-1.5!) USER MOD Single : A 85 LYS NZ :NH3+ 155:sc= 1.29 (180deg=0.987) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 8.713 -8.233 0.634 1.00 0.00 N ATOM 67 CA THR A 6 8.823 -7.626 -0.678 1.00 0.00 C ATOM 68 C THR A 6 7.570 -6.824 -0.998 1.00 0.00 C ATOM 69 O THR A 6 6.453 -7.278 -0.738 1.00 0.00 O ATOM 70 CB THR A 6 9.041 -8.698 -1.764 1.00 0.00 C ATOM 71 OG1 THR A 6 9.626 -9.870 -1.176 1.00 0.00 O ATOM 72 CG2 THR A 6 9.943 -8.176 -2.871 1.00 0.00 C ATOM 0 HA THR A 6 9.685 -6.959 -0.667 1.00 0.00 H new ATOM 0 HB THR A 6 8.073 -8.949 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.534 -9.828 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.081 -8.952 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.485 -7.301 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.911 -7.901 -2.452 1.00 0.00 H new ATOM 80 N CYS A 7 7.755 -5.629 -1.538 1.00 0.00 N ATOM 81 CA CYS A 7 6.632 -4.792 -1.905 1.00 0.00 C ATOM 82 C CYS A 7 5.904 -5.380 -3.104 1.00 0.00 C ATOM 83 O CYS A 7 6.519 -5.969 -4.000 1.00 0.00 O ATOM 84 CB CYS A 7 7.097 -3.371 -2.227 1.00 0.00 C ATOM 85 SG CYS A 7 5.750 -2.140 -2.295 1.00 0.00 S ATOM 0 H CYS A 7 8.670 -5.222 -1.730 1.00 0.00 H new ATOM 0 HA CYS A 7 5.948 -4.752 -1.057 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.822 -3.059 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.616 -3.379 -3.186 1.00 0.00 H new ATOM 0 HG CYS A 7 5.808 -1.375 -1.246 1.00 0.00 H new ATOM 90 N GLY A 8 4.594 -5.220 -3.111 1.00 0.00 N ATOM 91 CA GLY A 8 3.797 -5.684 -4.220 1.00 0.00 C ATOM 92 C GLY A 8 3.663 -4.627 -5.288 1.00 0.00 C ATOM 93 O GLY A 8 2.994 -4.830 -6.306 1.00 0.00 O ATOM 0 H GLY A 8 4.065 -4.773 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.252 -6.578 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.807 -5.969 -3.863 1.00 0.00 H new ATOM 97 N PHE A 9 4.308 -3.494 -5.051 1.00 0.00 N ATOM 98 CA PHE A 9 4.273 -2.382 -5.977 1.00 0.00 C ATOM 99 C PHE A 9 5.158 -2.657 -7.181 1.00 0.00 C ATOM 100 O PHE A 9 6.232 -3.249 -7.052 1.00 0.00 O ATOM 101 CB PHE A 9 4.733 -1.103 -5.282 1.00 0.00 C ATOM 102 CG PHE A 9 3.759 0.022 -5.416 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.691 0.133 -4.546 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.907 0.963 -6.418 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.784 1.163 -4.672 1.00 0.00 C ATOM 106 CE2 PHE A 9 3.007 1.995 -6.552 1.00 0.00 C ATOM 107 CZ PHE A 9 1.944 2.097 -5.679 1.00 0.00 C ATOM 0 H PHE A 9 4.866 -3.324 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 9 3.246 -2.256 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.896 -1.310 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.693 -0.796 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.566 -0.596 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.738 0.887 -7.103 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.952 1.240 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.133 2.724 -7.339 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.237 2.906 -5.782 1.00 0.00 H new ATOM 117 N PRO A 10 4.707 -2.255 -8.377 1.00 0.00 N ATOM 118 CA PRO A 10 5.516 -2.356 -9.588 1.00 0.00 C ATOM 119 C PRO A 10 6.734 -1.443 -9.534 1.00 0.00 C ATOM 120 O PRO A 10 7.797 -1.759 -10.076 1.00 0.00 O ATOM 121 CB PRO A 10 4.562 -1.923 -10.708 1.00 0.00 C ATOM 122 CG PRO A 10 3.501 -1.128 -10.027 1.00 0.00 C ATOM 123 CD PRO A 10 3.367 -1.707 -8.648 1.00 0.00 C ATOM 0 HA PRO A 10 5.914 -3.361 -9.730 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.080 -1.327 -11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.139 -2.786 -11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.773 -0.073 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.558 -1.191 -10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.089 -0.947 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.601 -2.481 -8.610 1.00 0.00 H new ATOM 131 N ASN A 11 6.575 -0.321 -8.859 1.00 0.00 N ATOM 132 CA ASN A 11 7.645 0.659 -8.732 1.00 0.00 C ATOM 133 C ASN A 11 7.702 1.222 -7.320 1.00 0.00 C ATOM 134 O ASN A 11 7.149 2.286 -7.037 1.00 0.00 O ATOM 135 CB ASN A 11 7.487 1.805 -9.744 1.00 0.00 C ATOM 136 CG ASN A 11 6.063 1.998 -10.235 1.00 0.00 C ATOM 137 OD1 ASN A 11 5.221 2.572 -9.546 1.00 0.00 O ATOM 138 ND2 ASN A 11 5.786 1.519 -11.438 1.00 0.00 N ATOM 0 H ASN A 11 5.710 -0.061 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 11 8.580 0.141 -8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.832 2.732 -9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.134 1.613 -10.600 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.847 1.620 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.512 1.049 -11.979 1.00 0.00 H new ATOM 145 N CYS A 12 8.365 0.497 -6.430 1.00 0.00 N ATOM 146 CA CYS A 12 8.584 0.976 -5.078 1.00 0.00 C ATOM 147 C CYS A 12 9.971 1.599 -4.984 1.00 0.00 C ATOM 148 O CYS A 12 10.963 0.913 -4.731 1.00 0.00 O ATOM 149 CB CYS A 12 8.438 -0.158 -4.063 1.00 0.00 C ATOM 150 SG CYS A 12 8.527 0.389 -2.324 1.00 0.00 S ATOM 0 H CYS A 12 8.759 -0.424 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 12 7.831 1.728 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.484 -0.659 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.220 -0.896 -4.242 1.00 0.00 H new ATOM 0 HG CYS A 12 7.345 0.753 -1.923 1.00 0.00 H new ATOM 155 N LYS A 13 10.028 2.903 -5.199 1.00 0.00 N ATOM 156 CA LYS A 13 11.289 3.636 -5.198 1.00 0.00 C ATOM 157 C LYS A 13 11.771 3.907 -3.774 1.00 0.00 C ATOM 158 O LYS A 13 12.869 4.418 -3.565 1.00 0.00 O ATOM 159 CB LYS A 13 11.120 4.960 -5.954 1.00 0.00 C ATOM 160 CG LYS A 13 10.516 6.079 -5.116 1.00 0.00 C ATOM 161 CD LYS A 13 9.209 6.586 -5.705 1.00 0.00 C ATOM 162 CE LYS A 13 9.388 7.933 -6.392 1.00 0.00 C ATOM 163 NZ LYS A 13 9.749 9.009 -5.432 1.00 0.00 N ATOM 0 H LYS A 13 9.208 3.483 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 13 12.040 3.023 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.093 5.282 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.488 4.791 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.342 5.720 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.226 6.903 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.826 5.859 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.464 6.676 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.165 7.851 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.466 8.202 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.401 9.678 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.889 9.512 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.210 8.591 -4.599 1.00 0.00 H new ATOM 177 N PHE A 14 10.950 3.547 -2.799 1.00 0.00 N ATOM 178 CA PHE A 14 11.218 3.895 -1.414 1.00 0.00 C ATOM 179 C PHE A 14 12.396 3.108 -0.851 1.00 0.00 C ATOM 180 O PHE A 14 13.249 3.669 -0.164 1.00 0.00 O ATOM 181 CB PHE A 14 9.967 3.671 -0.567 1.00 0.00 C ATOM 182 CG PHE A 14 8.858 4.629 -0.891 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.118 5.982 -1.050 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.556 4.180 -1.042 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.101 6.865 -1.353 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.536 5.061 -1.346 1.00 0.00 C ATOM 187 CZ PHE A 14 6.808 6.404 -1.501 1.00 0.00 C ATOM 0 H PHE A 14 10.092 3.014 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 14 11.488 4.950 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.613 2.651 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.227 3.768 0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.127 6.349 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.336 3.130 -0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.317 7.916 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.526 4.698 -1.462 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.011 7.094 -1.738 1.00 0.00 H new ATOM 197 N ARG A 15 12.463 1.820 -1.160 1.00 0.00 N ATOM 198 CA ARG A 15 13.523 0.977 -0.622 1.00 0.00 C ATOM 199 C ARG A 15 14.837 1.203 -1.369 1.00 0.00 C ATOM 200 O ARG A 15 15.908 0.856 -0.874 1.00 0.00 O ATOM 201 CB ARG A 15 13.131 -0.504 -0.664 1.00 0.00 C ATOM 202 CG ARG A 15 11.645 -0.753 -0.431 1.00 0.00 C ATOM 203 CD ARG A 15 11.149 -1.981 -1.181 1.00 0.00 C ATOM 204 NE ARG A 15 10.879 -1.693 -2.587 1.00 0.00 N ATOM 205 CZ ARG A 15 11.287 -2.461 -3.597 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.897 -3.613 -3.351 1.00 0.00 N ATOM 207 NH2 ARG A 15 11.056 -2.091 -4.850 1.00 0.00 N ATOM 0 H ARG A 15 11.804 1.340 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 15 13.668 1.260 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.412 -0.917 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.703 -1.043 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.462 -0.881 0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.077 0.121 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.894 -2.774 -1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.241 -2.353 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 15 10.346 -0.853 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.054 -3.912 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.209 -4.200 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.565 -1.217 -5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.369 -2.680 -5.622 1.00 0.00 H new ATOM 368 N ARG A 25 9.753 -0.116 7.231 1.00 0.00 N ATOM 369 CA ARG A 25 8.365 0.276 7.003 1.00 0.00 C ATOM 370 C ARG A 25 7.377 -0.689 7.641 1.00 0.00 C ATOM 371 O ARG A 25 7.662 -1.875 7.826 1.00 0.00 O ATOM 372 CB ARG A 25 8.073 0.346 5.502 1.00 0.00 C ATOM 373 CG ARG A 25 8.618 1.588 4.818 1.00 0.00 C ATOM 374 CD ARG A 25 9.322 1.237 3.516 1.00 0.00 C ATOM 375 NE ARG A 25 10.313 0.181 3.707 1.00 0.00 N ATOM 376 CZ ARG A 25 10.277 -1.003 3.099 1.00 0.00 C ATOM 377 NH1 ARG A 25 9.356 -1.266 2.190 1.00 0.00 N ATOM 378 NH2 ARG A 25 11.163 -1.934 3.410 1.00 0.00 N ATOM 0 HA ARG A 25 8.239 1.255 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.496 -0.535 5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.994 0.306 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.803 2.283 4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.314 2.097 5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.586 0.917 2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.809 2.125 3.114 1.00 0.00 H new ATOM 0 HE ARG A 25 11.084 0.363 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.662 -0.559 1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.338 -2.177 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.875 -1.745 4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.135 -2.841 2.944 1.00 0.00 H new ATOM 392 N HIS A 26 6.206 -0.168 7.960 1.00 0.00 N ATOM 393 CA HIS A 26 5.128 -0.982 8.476 1.00 0.00 C ATOM 394 C HIS A 26 4.435 -1.642 7.304 1.00 0.00 C ATOM 395 O HIS A 26 3.628 -1.020 6.616 1.00 0.00 O ATOM 396 CB HIS A 26 4.120 -0.151 9.286 1.00 0.00 C ATOM 397 CG HIS A 26 4.713 1.036 9.996 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.124 2.277 9.929 1.00 0.00 N ATOM 399 CD2 HIS A 26 5.838 1.124 10.752 1.00 0.00 C ATOM 400 CE1 HIS A 26 4.896 3.086 10.637 1.00 0.00 C ATOM 401 NE2 HIS A 26 5.944 2.432 11.154 1.00 0.00 N ATOM 0 H HIS A 26 5.980 0.822 7.869 1.00 0.00 H new ATOM 0 HA HIS A 26 5.541 -1.730 9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.335 0.198 8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.645 -0.798 10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.518 0.320 10.991 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.705 4.139 10.780 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.681 2.830 11.736 1.00 0.00 H new ATOM 409 N PHE A 27 4.767 -2.897 7.073 1.00 0.00 N ATOM 410 CA PHE A 27 4.277 -3.603 5.908 1.00 0.00 C ATOM 411 C PHE A 27 2.840 -4.032 6.135 1.00 0.00 C ATOM 412 O PHE A 27 2.559 -4.937 6.922 1.00 0.00 O ATOM 413 CB PHE A 27 5.155 -4.819 5.601 1.00 0.00 C ATOM 414 CG PHE A 27 6.252 -4.544 4.615 1.00 0.00 C ATOM 415 CD1 PHE A 27 5.972 -4.392 3.267 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.568 -4.454 5.035 1.00 0.00 C ATOM 417 CE1 PHE A 27 6.985 -4.158 2.357 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.584 -4.216 4.131 1.00 0.00 C ATOM 419 CZ PHE A 27 8.292 -4.070 2.790 1.00 0.00 C ATOM 0 H PHE A 27 5.375 -3.449 7.678 1.00 0.00 H new ATOM 0 HA PHE A 27 4.317 -2.932 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.597 -5.179 6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.526 -5.621 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.950 -4.457 2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.803 -4.571 6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.754 -4.044 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.606 -4.144 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.086 -3.887 2.081 1.00 0.00 H new ATOM 429 N TYR A 28 1.932 -3.362 5.454 1.00 0.00 N ATOM 430 CA TYR A 28 0.514 -3.601 5.641 1.00 0.00 C ATOM 431 C TYR A 28 0.075 -4.849 4.891 1.00 0.00 C ATOM 432 O TYR A 28 0.469 -5.071 3.744 1.00 0.00 O ATOM 433 CB TYR A 28 -0.297 -2.383 5.191 1.00 0.00 C ATOM 434 CG TYR A 28 -0.168 -1.195 6.124 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.181 -1.370 7.461 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.393 0.100 5.673 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.302 -0.292 8.316 1.00 0.00 C ATOM 438 CE2 TYR A 28 -0.273 1.183 6.524 1.00 0.00 C ATOM 439 CZ TYR A 28 0.075 0.982 7.844 1.00 0.00 C ATOM 440 OH TYR A 28 0.193 2.057 8.698 1.00 0.00 O ATOM 0 H TYR A 28 2.152 -2.645 4.763 1.00 0.00 H new ATOM 0 HA TYR A 28 0.329 -3.763 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.027 -2.088 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.348 -2.663 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.360 -2.367 7.836 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.666 0.263 4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.573 -0.447 9.350 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.451 2.183 6.157 1.00 0.00 H new ATOM 0 HH TYR A 28 0.002 2.885 8.210 1.00 0.00 H new ATOM 450 N ARG A 29 -0.744 -5.661 5.548 1.00 0.00 N ATOM 451 CA ARG A 29 -1.184 -6.935 4.988 1.00 0.00 C ATOM 452 C ARG A 29 -2.383 -6.747 4.063 1.00 0.00 C ATOM 453 O ARG A 29 -3.138 -7.686 3.824 1.00 0.00 O ATOM 454 CB ARG A 29 -1.545 -7.911 6.111 1.00 0.00 C ATOM 455 CG ARG A 29 -0.347 -8.655 6.679 1.00 0.00 C ATOM 456 CD ARG A 29 0.456 -7.771 7.621 1.00 0.00 C ATOM 457 NE ARG A 29 1.630 -8.451 8.166 1.00 0.00 N ATOM 458 CZ ARG A 29 2.499 -7.882 9.005 1.00 0.00 C ATOM 459 NH1 ARG A 29 2.317 -6.628 9.407 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.547 -8.567 9.443 1.00 0.00 N ATOM 0 H ARG A 29 -1.119 -5.459 6.475 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.360 -7.345 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.036 -7.362 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.267 -8.636 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.687 -9.543 7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.292 -8.996 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.774 -6.874 7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.184 -7.445 8.441 1.00 0.00 H new ATOM 0 HE ARG A 29 1.795 -9.419 7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.512 -6.098 9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.983 -6.196 10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.690 -9.530 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.210 -8.131 10.084 1.00 0.00 H new ATOM 474 N ILE A 30 -2.531 -5.528 3.542 1.00 0.00 N ATOM 475 CA ILE A 30 -3.624 -5.174 2.638 1.00 0.00 C ATOM 476 C ILE A 30 -4.990 -5.296 3.321 1.00 0.00 C ATOM 477 O ILE A 30 -5.472 -6.399 3.588 1.00 0.00 O ATOM 478 CB ILE A 30 -3.606 -6.039 1.355 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.282 -5.855 0.608 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.780 -5.690 0.447 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.427 -7.103 0.575 1.00 0.00 C ATOM 0 H ILE A 30 -1.893 -4.756 3.737 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.467 -4.132 2.360 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.702 -7.085 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.492 -5.541 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.718 -5.050 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.745 -6.311 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.716 -5.869 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.720 -4.640 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.506 -6.898 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.186 -7.406 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.973 -7.905 0.077 1.00 0.00 H new ATOM 493 N PRO A 31 -5.622 -4.151 3.631 1.00 0.00 N ATOM 494 CA PRO A 31 -6.972 -4.131 4.179 1.00 0.00 C ATOM 495 C PRO A 31 -7.936 -4.911 3.297 1.00 0.00 C ATOM 496 O PRO A 31 -7.903 -4.781 2.079 1.00 0.00 O ATOM 497 CB PRO A 31 -7.374 -2.654 4.195 1.00 0.00 C ATOM 498 CG PRO A 31 -6.160 -1.856 3.855 1.00 0.00 C ATOM 499 CD PRO A 31 -5.055 -2.808 3.470 1.00 0.00 C ATOM 0 HA PRO A 31 -7.004 -4.590 5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.171 -2.466 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.757 -2.371 5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.374 -1.172 3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.856 -1.247 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.731 -2.639 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.180 -2.672 4.106 1.00 0.00 H new ATOM 507 N LYS A 32 -8.782 -5.722 3.911 1.00 0.00 N ATOM 508 CA LYS A 32 -9.748 -6.521 3.164 1.00 0.00 C ATOM 509 C LYS A 32 -11.158 -6.148 3.584 1.00 0.00 C ATOM 510 O LYS A 32 -12.127 -6.829 3.258 1.00 0.00 O ATOM 511 CB LYS A 32 -9.495 -8.015 3.392 1.00 0.00 C ATOM 512 CG LYS A 32 -8.143 -8.484 2.876 1.00 0.00 C ATOM 513 CD LYS A 32 -7.599 -9.650 3.689 1.00 0.00 C ATOM 514 CE LYS A 32 -6.962 -9.180 4.988 1.00 0.00 C ATOM 515 NZ LYS A 32 -5.529 -8.822 4.814 1.00 0.00 N ATOM 0 H LYS A 32 -8.822 -5.846 4.923 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.632 -6.315 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.563 -8.229 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.282 -8.588 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.236 -8.782 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.435 -7.656 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.407 -10.347 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.862 -10.194 3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.507 -8.315 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.050 -9.965 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.132 -8.524 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.005 -9.649 4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.446 -8.043 4.130 1.00 0.00 H new ATOM 529 N ARG A 33 -11.245 -5.048 4.311 1.00 0.00 N ATOM 530 CA ARG A 33 -12.511 -4.520 4.792 1.00 0.00 C ATOM 531 C ARG A 33 -12.443 -3.001 4.821 1.00 0.00 C ATOM 532 O ARG A 33 -11.609 -2.431 5.526 1.00 0.00 O ATOM 533 CB ARG A 33 -12.816 -5.049 6.195 1.00 0.00 C ATOM 534 CG ARG A 33 -13.510 -6.401 6.204 1.00 0.00 C ATOM 535 CD ARG A 33 -13.298 -7.122 7.524 1.00 0.00 C ATOM 536 NE ARG A 33 -11.904 -7.063 7.974 1.00 0.00 N ATOM 537 CZ ARG A 33 -11.438 -7.728 9.032 1.00 0.00 C ATOM 538 NH1 ARG A 33 -12.258 -8.480 9.758 1.00 0.00 N ATOM 539 NH2 ARG A 33 -10.160 -7.620 9.377 1.00 0.00 N ATOM 0 H ARG A 33 -10.435 -4.492 4.586 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.307 -4.842 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.884 -5.126 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.443 -4.326 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.577 -6.265 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.128 -7.014 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.942 -6.680 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.599 -8.164 7.418 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.253 -6.480 7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.244 -8.549 9.506 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.902 -8.989 10.567 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.533 -7.028 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.805 -8.129 10.186 1.00 0.00 H new ATOM 553 N PRO A 34 -13.300 -2.318 4.050 1.00 0.00 N ATOM 554 CA PRO A 34 -14.291 -2.955 3.181 1.00 0.00 C ATOM 555 C PRO A 34 -13.671 -3.537 1.910 1.00 0.00 C ATOM 556 O PRO A 34 -12.527 -3.233 1.561 1.00 0.00 O ATOM 557 CB PRO A 34 -15.255 -1.815 2.821 1.00 0.00 C ATOM 558 CG PRO A 34 -14.817 -0.628 3.617 1.00 0.00 C ATOM 559 CD PRO A 34 -13.381 -0.860 3.976 1.00 0.00 C ATOM 0 HA PRO A 34 -14.771 -3.797 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.222 -1.601 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.284 -2.085 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.929 0.289 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.427 -0.516 4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.705 -0.455 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.120 -0.391 4.925 1.00 0.00 H new ATOM 567 N LEU A 35 -14.446 -4.364 1.220 1.00 0.00 N ATOM 568 CA LEU A 35 -13.988 -5.046 0.017 1.00 0.00 C ATOM 569 C LEU A 35 -13.660 -4.058 -1.100 1.00 0.00 C ATOM 570 O LEU A 35 -12.700 -4.253 -1.845 1.00 0.00 O ATOM 571 CB LEU A 35 -15.049 -6.041 -0.464 1.00 0.00 C ATOM 572 CG LEU A 35 -14.498 -7.311 -1.111 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.946 -8.542 -0.338 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.941 -7.404 -2.563 1.00 0.00 C ATOM 0 H LEU A 35 -15.409 -4.581 1.478 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.074 -5.583 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.671 -6.324 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.698 -5.538 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.409 -7.266 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.544 -9.437 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.581 -8.481 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.035 -8.592 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.540 -8.314 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.030 -7.426 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.572 -6.538 -3.112 1.00 0.00 H new ATOM 586 N ILE A 36 -14.450 -2.995 -1.210 1.00 0.00 N ATOM 587 CA ILE A 36 -14.237 -2.000 -2.256 1.00 0.00 C ATOM 588 C ILE A 36 -12.954 -1.212 -2.004 1.00 0.00 C ATOM 589 O ILE A 36 -12.227 -0.874 -2.938 1.00 0.00 O ATOM 590 CB ILE A 36 -15.437 -1.032 -2.375 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.702 -1.794 -2.786 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.147 0.083 -3.372 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.517 -2.667 -4.013 1.00 0.00 C ATOM 0 H ILE A 36 -15.238 -2.801 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.141 -2.539 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.600 -0.579 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.026 -2.418 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.501 -1.078 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.008 0.748 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.275 0.648 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.950 -0.349 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.454 -3.175 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.223 -2.047 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.741 -3.408 -3.819 1.00 0.00 H new ATOM 605 N LEU A 37 -12.670 -0.941 -0.736 1.00 0.00 N ATOM 606 CA LEU A 37 -11.429 -0.275 -0.361 1.00 0.00 C ATOM 607 C LEU A 37 -10.239 -1.147 -0.752 1.00 0.00 C ATOM 608 O LEU A 37 -9.237 -0.654 -1.266 1.00 0.00 O ATOM 609 CB LEU A 37 -11.411 0.018 1.143 1.00 0.00 C ATOM 610 CG LEU A 37 -10.033 0.317 1.746 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.933 1.776 2.166 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.767 -0.591 2.934 1.00 0.00 C ATOM 0 H LEU A 37 -13.280 -1.171 0.048 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.361 0.675 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.064 0.869 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.838 -0.837 1.666 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.278 0.126 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.947 1.966 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.082 2.416 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.698 1.993 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.785 -0.367 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.530 -0.428 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.794 -1.631 2.610 1.00 0.00 H new ATOM 624 N ARG A 38 -10.376 -2.447 -0.526 1.00 0.00 N ATOM 625 CA ARG A 38 -9.340 -3.407 -0.884 1.00 0.00 C ATOM 626 C ARG A 38 -9.207 -3.507 -2.405 1.00 0.00 C ATOM 627 O ARG A 38 -8.114 -3.696 -2.931 1.00 0.00 O ATOM 628 CB ARG A 38 -9.652 -4.770 -0.241 1.00 0.00 C ATOM 629 CG ARG A 38 -9.824 -5.938 -1.199 1.00 0.00 C ATOM 630 CD ARG A 38 -10.744 -6.987 -0.594 1.00 0.00 C ATOM 631 NE ARG A 38 -10.461 -8.342 -1.069 1.00 0.00 N ATOM 632 CZ ARG A 38 -10.878 -8.834 -2.238 1.00 0.00 C ATOM 633 NH1 ARG A 38 -11.532 -8.058 -3.097 1.00 0.00 N ATOM 634 NH2 ARG A 38 -10.629 -10.098 -2.554 1.00 0.00 N ATOM 0 H ARG A 38 -11.201 -2.863 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.378 -3.067 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.849 -5.013 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.565 -4.671 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.237 -5.584 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.853 -6.381 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.649 -6.962 0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.778 -6.734 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.908 -8.952 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.717 -7.082 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.849 -8.438 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.118 -10.695 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.948 -10.473 -3.447 1.00 0.00 H new ATOM 648 N GLN A 39 -10.325 -3.345 -3.104 1.00 0.00 N ATOM 649 CA GLN A 39 -10.324 -3.343 -4.564 1.00 0.00 C ATOM 650 C GLN A 39 -9.568 -2.129 -5.096 1.00 0.00 C ATOM 651 O GLN A 39 -8.811 -2.225 -6.063 1.00 0.00 O ATOM 652 CB GLN A 39 -11.757 -3.340 -5.098 1.00 0.00 C ATOM 653 CG GLN A 39 -11.982 -4.308 -6.247 1.00 0.00 C ATOM 654 CD GLN A 39 -11.958 -5.760 -5.809 1.00 0.00 C ATOM 655 OE1 GLN A 39 -10.927 -6.274 -5.379 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.093 -6.432 -5.916 1.00 0.00 N ATOM 0 H GLN A 39 -11.245 -3.213 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.822 -4.247 -4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.439 -3.590 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.010 -2.333 -5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.942 -4.091 -6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.214 -4.150 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.927 -5.970 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.134 -7.412 -5.637 1.00 0.00 H new ATOM 665 N ARG A 40 -9.770 -0.986 -4.450 1.00 0.00 N ATOM 666 CA ARG A 40 -9.066 0.234 -4.825 1.00 0.00 C ATOM 667 C ARG A 40 -7.591 0.120 -4.462 1.00 0.00 C ATOM 668 O ARG A 40 -6.733 0.707 -5.119 1.00 0.00 O ATOM 669 CB ARG A 40 -9.682 1.453 -4.137 1.00 0.00 C ATOM 670 CG ARG A 40 -11.083 1.782 -4.601 1.00 0.00 C ATOM 671 CD ARG A 40 -11.114 2.204 -6.062 1.00 0.00 C ATOM 672 NE ARG A 40 -11.974 1.327 -6.854 1.00 0.00 N ATOM 673 CZ ARG A 40 -13.217 1.634 -7.230 1.00 0.00 C ATOM 674 NH1 ARG A 40 -13.718 2.844 -6.998 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.942 0.735 -7.876 1.00 0.00 N ATOM 0 H ARG A 40 -10.414 -0.879 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.160 0.365 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.699 1.280 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.041 2.317 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.725 0.912 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.491 2.582 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.471 3.231 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.103 2.187 -6.468 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.600 0.422 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.151 3.549 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.670 3.067 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.550 -0.184 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.893 0.961 -8.167 1.00 0.00 H new ATOM 689 N TRP A 41 -7.308 -0.649 -3.417 1.00 0.00 N ATOM 690 CA TRP A 41 -5.938 -0.916 -3.001 1.00 0.00 C ATOM 691 C TRP A 41 -5.179 -1.635 -4.111 1.00 0.00 C ATOM 692 O TRP A 41 -4.034 -1.303 -4.417 1.00 0.00 O ATOM 693 CB TRP A 41 -5.926 -1.754 -1.720 1.00 0.00 C ATOM 694 CG TRP A 41 -5.547 -0.958 -0.517 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.226 0.098 0.010 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.384 -1.135 0.291 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.558 0.591 1.100 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.423 -0.151 1.296 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.316 -2.030 0.266 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.430 -0.039 2.261 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.332 -1.917 1.226 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.396 -0.930 2.213 1.00 0.00 C ATOM 0 H TRP A 41 -8.016 -1.101 -2.839 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.443 0.034 -2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.913 -2.190 -1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.227 -2.582 -1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.156 0.490 -0.375 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.857 1.381 1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.260 -2.798 -0.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.474 0.726 3.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.498 -2.603 1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.612 -0.870 2.953 1.00 0.00 H new ATOM 713 N LEU A 42 -5.836 -2.612 -4.722 1.00 0.00 N ATOM 714 CA LEU A 42 -5.256 -3.355 -5.834 1.00 0.00 C ATOM 715 C LEU A 42 -5.205 -2.493 -7.094 1.00 0.00 C ATOM 716 O LEU A 42 -4.393 -2.729 -7.989 1.00 0.00 O ATOM 717 CB LEU A 42 -6.063 -4.629 -6.101 1.00 0.00 C ATOM 718 CG LEU A 42 -6.542 -5.382 -4.858 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.251 -6.663 -5.263 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.378 -5.693 -3.929 1.00 0.00 C ATOM 0 H LEU A 42 -6.777 -2.910 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.237 -3.632 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.933 -4.367 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.453 -5.305 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.244 -4.744 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.587 -7.190 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.111 -6.421 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.564 -7.298 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.745 -6.228 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.649 -6.311 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.905 -4.763 -3.614 1.00 0.00 H new ATOM 732 N THR A 43 -6.073 -1.489 -7.149 1.00 0.00 N ATOM 733 CA THR A 43 -6.122 -0.561 -8.272 1.00 0.00 C ATOM 734 C THR A 43 -4.783 0.159 -8.458 1.00 0.00 C ATOM 735 O THR A 43 -4.302 0.322 -9.583 1.00 0.00 O ATOM 736 CB THR A 43 -7.242 0.481 -8.058 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.521 -0.149 -8.207 1.00 0.00 O ATOM 738 CG2 THR A 43 -7.124 1.658 -9.025 1.00 0.00 C ATOM 0 H THR A 43 -6.760 -1.296 -6.420 1.00 0.00 H new ATOM 0 HA THR A 43 -6.331 -1.141 -9.171 1.00 0.00 H new ATOM 0 HB THR A 43 -7.138 0.878 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.606 -0.875 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.932 2.365 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.165 2.155 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.190 1.294 -10.050 1.00 0.00 H new ATOM 746 N ALA A 44 -4.183 0.572 -7.349 1.00 0.00 N ATOM 747 CA ALA A 44 -2.938 1.328 -7.388 1.00 0.00 C ATOM 748 C ALA A 44 -1.774 0.477 -7.882 1.00 0.00 C ATOM 749 O ALA A 44 -0.979 0.921 -8.710 1.00 0.00 O ATOM 750 CB ALA A 44 -2.630 1.895 -6.015 1.00 0.00 C ATOM 0 H ALA A 44 -4.539 0.396 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.069 2.147 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.698 2.458 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.440 2.555 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.531 1.080 -5.298 1.00 0.00 H new ATOM 756 N ILE A 45 -1.684 -0.750 -7.383 1.00 0.00 N ATOM 757 CA ILE A 45 -0.594 -1.644 -7.759 1.00 0.00 C ATOM 758 C ILE A 45 -0.858 -2.290 -9.114 1.00 0.00 C ATOM 759 O ILE A 45 0.028 -2.920 -9.693 1.00 0.00 O ATOM 760 CB ILE A 45 -0.369 -2.751 -6.707 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.699 -3.379 -6.292 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.347 -2.190 -5.494 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.552 -4.566 -5.360 1.00 0.00 C ATOM 0 H ILE A 45 -2.349 -1.148 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 45 0.305 -1.031 -7.817 1.00 0.00 H new ATOM 0 HB ILE A 45 0.254 -3.526 -7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.312 -2.620 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.235 -3.696 -7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.498 -2.983 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.313 -1.786 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.255 -1.397 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.538 -4.957 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.967 -5.344 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.045 -4.252 -4.448 1.00 0.00 H new ATOM 775 N GLY A 46 -2.079 -2.128 -9.608 1.00 0.00 N ATOM 776 CA GLY A 46 -2.451 -2.708 -10.881 1.00 0.00 C ATOM 777 C GLY A 46 -2.484 -4.220 -10.827 1.00 0.00 C ATOM 778 O GLY A 46 -2.117 -4.894 -11.790 1.00 0.00 O ATOM 0 H GLY A 46 -2.821 -1.602 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.431 -2.334 -11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.743 -2.388 -11.646 1.00 0.00 H new ATOM 782 N ARG A 47 -2.919 -4.755 -9.696 1.00 0.00 N ATOM 783 CA ARG A 47 -2.963 -6.197 -9.504 1.00 0.00 C ATOM 784 C ARG A 47 -4.349 -6.629 -9.044 1.00 0.00 C ATOM 785 O ARG A 47 -5.217 -5.794 -8.800 1.00 0.00 O ATOM 786 CB ARG A 47 -1.908 -6.633 -8.486 1.00 0.00 C ATOM 787 CG ARG A 47 -0.508 -6.725 -9.067 1.00 0.00 C ATOM 788 CD ARG A 47 0.442 -7.439 -8.121 1.00 0.00 C ATOM 789 NE ARG A 47 1.736 -6.762 -8.020 1.00 0.00 N ATOM 790 CZ ARG A 47 2.738 -6.930 -8.883 1.00 0.00 C ATOM 791 NH1 ARG A 47 2.593 -7.732 -9.929 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.887 -6.294 -8.697 1.00 0.00 N ATOM 0 H ARG A 47 -3.247 -4.212 -8.897 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.746 -6.679 -10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.903 -5.927 -7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.188 -7.604 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.542 -7.255 -10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.132 -5.723 -9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.012 -7.501 -7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.595 -8.462 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 47 1.880 -6.121 -7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.712 -8.224 -10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.363 -7.857 -10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.004 -5.676 -7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.654 -6.423 -9.357 1.00 0.00 H new ATOM 806 N THR A 48 -4.549 -7.930 -8.930 1.00 0.00 N ATOM 807 CA THR A 48 -5.827 -8.470 -8.506 1.00 0.00 C ATOM 808 C THR A 48 -5.668 -9.288 -7.220 1.00 0.00 C ATOM 809 O THR A 48 -4.554 -9.495 -6.741 1.00 0.00 O ATOM 810 CB THR A 48 -6.445 -9.336 -9.624 1.00 0.00 C ATOM 811 OG1 THR A 48 -6.064 -8.810 -10.903 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.963 -9.356 -9.525 1.00 0.00 C ATOM 0 H THR A 48 -3.838 -8.635 -9.126 1.00 0.00 H new ATOM 0 HA THR A 48 -6.500 -7.637 -8.302 1.00 0.00 H new ATOM 0 HB THR A 48 -6.075 -10.355 -9.510 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.455 -9.361 -11.613 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.372 -9.973 -10.325 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.259 -9.769 -8.561 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.347 -8.340 -9.619 1.00 0.00 H new ATOM 820 N GLU A 49 -6.784 -9.755 -6.673 1.00 0.00 N ATOM 821 CA GLU A 49 -6.788 -10.473 -5.399 1.00 0.00 C ATOM 822 C GLU A 49 -6.038 -11.796 -5.499 1.00 0.00 C ATOM 823 O GLU A 49 -5.545 -12.315 -4.501 1.00 0.00 O ATOM 824 CB GLU A 49 -8.225 -10.722 -4.934 1.00 0.00 C ATOM 825 CG GLU A 49 -9.184 -11.078 -6.063 1.00 0.00 C ATOM 826 CD GLU A 49 -10.451 -11.741 -5.564 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.285 -11.046 -4.950 1.00 0.00 O ATOM 828 OE2 GLU A 49 -10.615 -12.958 -5.781 1.00 0.00 O ATOM 0 H GLU A 49 -7.707 -9.649 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.275 -9.849 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.225 -11.529 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.592 -9.830 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.444 -10.173 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.682 -11.744 -6.765 1.00 0.00 H new ATOM 835 N GLU A 50 -5.928 -12.321 -6.707 1.00 0.00 N ATOM 836 CA GLU A 50 -5.268 -13.600 -6.925 1.00 0.00 C ATOM 837 C GLU A 50 -3.752 -13.438 -6.925 1.00 0.00 C ATOM 838 O GLU A 50 -3.008 -14.420 -6.865 1.00 0.00 O ATOM 839 CB GLU A 50 -5.727 -14.206 -8.253 1.00 0.00 C ATOM 840 CG GLU A 50 -6.068 -15.682 -8.159 1.00 0.00 C ATOM 841 CD GLU A 50 -5.731 -16.436 -9.427 1.00 0.00 C ATOM 842 OE1 GLU A 50 -4.562 -16.391 -9.860 1.00 0.00 O ATOM 843 OE2 GLU A 50 -6.639 -17.071 -10.006 1.00 0.00 O ATOM 0 H GLU A 50 -6.287 -11.882 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.542 -14.269 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.601 -13.661 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.942 -14.069 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.527 -16.124 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.131 -15.793 -7.946 1.00 0.00 H new ATOM 850 N THR A 51 -3.297 -12.196 -6.987 1.00 0.00 N ATOM 851 CA THR A 51 -1.877 -11.912 -7.048 1.00 0.00 C ATOM 852 C THR A 51 -1.424 -11.046 -5.873 1.00 0.00 C ATOM 853 O THR A 51 -0.264 -10.649 -5.803 1.00 0.00 O ATOM 854 CB THR A 51 -1.528 -11.196 -8.368 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.574 -10.277 -8.714 1.00 0.00 O ATOM 856 CG2 THR A 51 -1.352 -12.197 -9.497 1.00 0.00 C ATOM 0 H THR A 51 -3.894 -11.369 -6.996 1.00 0.00 H new ATOM 0 HA THR A 51 -1.354 -12.867 -6.996 1.00 0.00 H new ATOM 0 HB THR A 51 -0.591 -10.657 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.051 -10.004 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.106 -11.668 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.546 -12.887 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.278 -12.756 -9.636 1.00 0.00 H new ATOM 864 N VAL A 52 -2.335 -10.765 -4.944 1.00 0.00 N ATOM 865 CA VAL A 52 -2.031 -9.849 -3.848 1.00 0.00 C ATOM 866 C VAL A 52 -1.976 -10.549 -2.493 1.00 0.00 C ATOM 867 O VAL A 52 -1.169 -10.194 -1.632 1.00 0.00 O ATOM 868 CB VAL A 52 -3.040 -8.672 -3.802 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.395 -9.109 -3.257 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.480 -7.512 -2.989 1.00 0.00 C ATOM 0 H VAL A 52 -3.278 -11.153 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.036 -9.453 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.194 -8.334 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.073 -8.256 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.809 -9.890 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.273 -9.494 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.204 -6.698 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.281 -7.844 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.553 -7.163 -3.444 1.00 0.00 H new ATOM 880 N VAL A 53 -2.802 -11.557 -2.306 1.00 0.00 N ATOM 881 CA VAL A 53 -2.896 -12.208 -1.009 1.00 0.00 C ATOM 882 C VAL A 53 -1.944 -13.407 -0.923 1.00 0.00 C ATOM 883 O VAL A 53 -2.348 -14.572 -0.970 1.00 0.00 O ATOM 884 CB VAL A 53 -4.359 -12.602 -0.673 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.962 -13.487 -1.751 1.00 0.00 C ATOM 886 CG2 VAL A 53 -4.450 -13.261 0.697 1.00 0.00 C ATOM 0 H VAL A 53 -3.414 -11.943 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.582 -11.489 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.945 -11.684 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.987 -13.742 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.959 -12.955 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.373 -14.400 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.487 -13.526 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.836 -14.161 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.093 -12.568 1.459 1.00 0.00 H new ATOM 896 N SER A 54 -0.660 -13.097 -0.833 1.00 0.00 N ATOM 897 CA SER A 54 0.378 -14.106 -0.675 1.00 0.00 C ATOM 898 C SER A 54 1.647 -13.463 -0.113 1.00 0.00 C ATOM 899 O SER A 54 1.711 -13.141 1.074 1.00 0.00 O ATOM 900 CB SER A 54 0.676 -14.795 -2.013 1.00 0.00 C ATOM 901 OG SER A 54 -0.387 -15.650 -2.402 1.00 0.00 O ATOM 0 H SER A 54 -0.308 -12.140 -0.867 1.00 0.00 H new ATOM 0 HA SER A 54 0.023 -14.863 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.840 -14.042 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.597 -15.372 -1.930 1.00 0.00 H new ATOM 0 HG SER A 54 -1.100 -15.613 -1.730 1.00 0.00 H new ATOM 907 N GLN A 55 2.630 -13.240 -0.975 1.00 0.00 N ATOM 908 CA GLN A 55 3.904 -12.654 -0.563 1.00 0.00 C ATOM 909 C GLN A 55 3.868 -11.141 -0.722 1.00 0.00 C ATOM 910 O GLN A 55 4.745 -10.432 -0.232 1.00 0.00 O ATOM 911 CB GLN A 55 5.071 -13.225 -1.385 1.00 0.00 C ATOM 912 CG GLN A 55 4.657 -14.053 -2.601 1.00 0.00 C ATOM 913 CD GLN A 55 4.069 -13.211 -3.719 1.00 0.00 C ATOM 914 OE1 GLN A 55 2.866 -12.941 -3.745 1.00 0.00 O ATOM 915 NE2 GLN A 55 4.908 -12.797 -4.652 1.00 0.00 N ATOM 0 H GLN A 55 2.571 -13.457 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 55 4.059 -12.907 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.697 -12.399 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.686 -13.846 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.525 -14.593 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.926 -14.800 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.896 -13.042 -4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.567 -12.232 -5.430 1.00 0.00 H new ATOM 924 N LEU A 56 2.844 -10.662 -1.413 1.00 0.00 N ATOM 925 CA LEU A 56 2.694 -9.242 -1.690 1.00 0.00 C ATOM 926 C LEU A 56 2.398 -8.465 -0.418 1.00 0.00 C ATOM 927 O LEU A 56 1.507 -8.828 0.350 1.00 0.00 O ATOM 928 CB LEU A 56 1.575 -9.023 -2.704 1.00 0.00 C ATOM 929 CG LEU A 56 2.002 -8.364 -4.011 1.00 0.00 C ATOM 930 CD1 LEU A 56 2.577 -9.396 -4.968 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.826 -7.639 -4.645 1.00 0.00 C ATOM 0 H LEU A 56 2.098 -11.243 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 56 3.634 -8.876 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.121 -9.987 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.803 -8.409 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 56 2.781 -7.633 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.876 -8.906 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.446 -9.871 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.822 -10.152 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.145 -7.173 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.027 -8.352 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.461 -6.872 -3.963 1.00 0.00 H new ATOM 943 N ARG A 57 3.159 -7.408 -0.196 1.00 0.00 N ATOM 944 CA ARG A 57 2.970 -6.545 0.959 1.00 0.00 C ATOM 945 C ARG A 57 3.084 -5.090 0.525 1.00 0.00 C ATOM 946 O ARG A 57 3.626 -4.806 -0.539 1.00 0.00 O ATOM 947 CB ARG A 57 4.011 -6.858 2.038 1.00 0.00 C ATOM 948 CG ARG A 57 3.413 -7.134 3.411 1.00 0.00 C ATOM 949 CD ARG A 57 2.245 -8.099 3.333 1.00 0.00 C ATOM 950 NE ARG A 57 2.506 -9.345 4.051 1.00 0.00 N ATOM 951 CZ ARG A 57 2.199 -10.556 3.582 1.00 0.00 C ATOM 952 NH1 ARG A 57 1.672 -10.691 2.370 1.00 0.00 N ATOM 953 NH2 ARG A 57 2.431 -11.633 4.321 1.00 0.00 N ATOM 0 H ARG A 57 3.923 -7.123 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 57 1.980 -6.722 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.594 -7.724 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.703 -6.019 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.181 -7.545 4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.081 -6.197 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.356 -7.624 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.030 -8.323 2.288 1.00 0.00 H new ATOM 0 HE ARG A 57 2.950 -9.285 4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.500 -9.867 1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.439 -11.619 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.844 -11.536 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.196 -12.558 3.962 1.00 0.00 H new ATOM 967 N ILE A 58 2.567 -4.176 1.333 1.00 0.00 N ATOM 968 CA ILE A 58 2.588 -2.761 0.983 1.00 0.00 C ATOM 969 C ILE A 58 3.241 -1.935 2.088 1.00 0.00 C ATOM 970 O ILE A 58 2.971 -2.144 3.270 1.00 0.00 O ATOM 971 CB ILE A 58 1.161 -2.232 0.712 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.529 -2.968 -0.479 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.179 -0.729 0.467 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.320 -2.856 -1.767 1.00 0.00 C ATOM 0 H ILE A 58 2.130 -4.386 2.230 1.00 0.00 H new ATOM 0 HA ILE A 58 3.177 -2.660 0.071 1.00 0.00 H new ATOM 0 HB ILE A 58 0.553 -2.424 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.419 -4.022 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.473 -2.574 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.164 -0.379 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.581 -0.222 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.805 -0.509 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.807 -3.403 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.409 -1.807 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.314 -3.278 -1.621 1.00 0.00 H new ATOM 986 N CYS A 59 4.103 -1.005 1.693 1.00 0.00 N ATOM 987 CA CYS A 59 4.801 -0.145 2.636 1.00 0.00 C ATOM 988 C CYS A 59 3.897 0.950 3.198 1.00 0.00 C ATOM 989 O CYS A 59 2.951 1.394 2.544 1.00 0.00 O ATOM 990 CB CYS A 59 6.005 0.493 1.950 1.00 0.00 C ATOM 991 SG CYS A 59 6.961 -0.666 0.921 1.00 0.00 S ATOM 0 H CYS A 59 4.335 -0.828 0.716 1.00 0.00 H new ATOM 0 HA CYS A 59 5.124 -0.767 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.662 1.319 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.662 0.918 2.709 1.00 0.00 H new ATOM 0 HG CYS A 59 7.406 -0.046 -0.131 1.00 0.00 H new ATOM 996 N SER A 60 4.227 1.402 4.402 1.00 0.00 N ATOM 997 CA SER A 60 3.507 2.487 5.051 1.00 0.00 C ATOM 998 C SER A 60 3.846 3.821 4.393 1.00 0.00 C ATOM 999 O SER A 60 3.151 4.818 4.583 1.00 0.00 O ATOM 1000 CB SER A 60 3.887 2.533 6.532 1.00 0.00 C ATOM 1001 OG SER A 60 5.242 2.139 6.713 1.00 0.00 O ATOM 0 H SER A 60 4.999 1.027 4.953 1.00 0.00 H new ATOM 0 HA SER A 60 2.436 2.311 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.741 3.541 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.232 1.874 7.102 1.00 0.00 H new ATOM 0 HG SER A 60 5.661 2.711 7.390 1.00 0.00 H new ATOM 1007 N ALA A 61 4.920 3.824 3.608 1.00 0.00 N ATOM 1008 CA ALA A 61 5.408 5.034 2.960 1.00 0.00 C ATOM 1009 C ALA A 61 4.556 5.405 1.753 1.00 0.00 C ATOM 1010 O ALA A 61 4.726 6.473 1.165 1.00 0.00 O ATOM 1011 CB ALA A 61 6.856 4.842 2.536 1.00 0.00 C ATOM 0 H ALA A 61 5.473 2.991 3.405 1.00 0.00 H new ATOM 0 HA ALA A 61 5.342 5.852 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.217 5.749 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.467 4.631 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.923 4.007 1.838 1.00 0.00 H new ATOM 1017 N HIS A 62 3.630 4.525 1.402 1.00 0.00 N ATOM 1018 CA HIS A 62 2.797 4.717 0.220 1.00 0.00 C ATOM 1019 C HIS A 62 1.554 5.545 0.546 1.00 0.00 C ATOM 1020 O HIS A 62 0.576 5.539 -0.204 1.00 0.00 O ATOM 1021 CB HIS A 62 2.392 3.356 -0.360 1.00 0.00 C ATOM 1022 CG HIS A 62 3.525 2.617 -1.003 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.049 2.938 -2.242 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.253 1.560 -0.551 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.059 2.086 -2.497 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.211 1.244 -1.500 1.00 0.00 N ATOM 0 H HIS A 62 3.435 3.668 1.919 1.00 0.00 H new ATOM 0 HA HIS A 62 3.378 5.265 -0.521 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.974 2.741 0.437 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.602 3.505 -1.096 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.727 3.688 -2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.108 1.052 0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.660 2.093 -3.394 1.00 0.00 H new ATOM 1034 N PHE A 63 1.600 6.253 1.667 1.00 0.00 N ATOM 1035 CA PHE A 63 0.486 7.082 2.105 1.00 0.00 C ATOM 1036 C PHE A 63 0.985 8.467 2.485 1.00 0.00 C ATOM 1037 O PHE A 63 2.192 8.716 2.502 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.225 6.448 3.307 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.638 5.022 3.081 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.219 3.981 3.396 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.875 4.726 2.538 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.148 2.672 3.172 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.249 3.416 2.315 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.383 2.389 2.629 1.00 0.00 C ATOM 0 H PHE A 63 2.405 6.269 2.294 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.222 7.163 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.435 6.493 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.109 7.039 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.187 4.198 3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.554 5.527 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.530 1.869 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.219 3.195 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.672 1.364 2.450 1.00 0.00 H new ATOM 1054 N GLU A 64 0.052 9.356 2.789 1.00 0.00 N ATOM 1055 CA GLU A 64 0.387 10.696 3.247 1.00 0.00 C ATOM 1056 C GLU A 64 1.031 10.628 4.628 1.00 0.00 C ATOM 1057 O GLU A 64 0.339 10.490 5.637 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.874 11.561 3.297 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.793 12.818 2.450 1.00 0.00 C ATOM 1060 CD GLU A 64 -2.030 13.686 2.580 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -2.306 14.176 3.698 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -2.730 13.889 1.562 1.00 0.00 O ATOM 0 H GLU A 64 -0.949 9.172 2.726 1.00 0.00 H new ATOM 0 HA GLU A 64 1.095 11.144 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.724 10.965 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.068 11.844 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.084 13.395 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.656 12.540 1.405 1.00 0.00 H new ATOM 1069 N GLY A 65 2.356 10.694 4.664 1.00 0.00 N ATOM 1070 CA GLY A 65 3.078 10.594 5.917 1.00 0.00 C ATOM 1071 C GLY A 65 3.330 9.155 6.305 1.00 0.00 C ATOM 1072 O GLY A 65 4.474 8.735 6.492 1.00 0.00 O ATOM 0 H GLY A 65 2.947 10.816 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.029 11.120 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.510 11.089 6.705 1.00 0.00 H new ATOM 1076 N GLY A 66 2.254 8.394 6.412 1.00 0.00 N ATOM 1077 CA GLY A 66 2.358 6.992 6.749 1.00 0.00 C ATOM 1078 C GLY A 66 1.199 6.539 7.609 1.00 0.00 C ATOM 1079 O GLY A 66 1.389 5.839 8.602 1.00 0.00 O ATOM 0 H GLY A 66 1.300 8.727 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.387 6.399 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.295 6.812 7.276 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.005 6.949 7.229 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.198 6.654 8.011 1.00 0.00 C ATOM 1085 C GLU A 67 -2.207 5.871 7.185 1.00 0.00 C ATOM 1086 O GLU A 67 -2.499 6.224 6.044 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.851 7.948 8.508 1.00 0.00 C ATOM 1088 CG GLU A 67 -0.858 9.003 8.963 1.00 0.00 C ATOM 1089 CD GLU A 67 -0.465 8.847 10.417 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -1.294 8.353 11.211 1.00 0.00 O ATOM 1091 OE2 GLU A 67 0.672 9.225 10.775 1.00 0.00 O ATOM 0 H GLU A 67 -0.181 7.488 6.381 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.892 6.052 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.466 8.363 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.520 7.711 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.036 8.947 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.290 9.992 8.812 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.717 4.798 7.759 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.815 4.061 7.163 1.00 0.00 C ATOM 1100 C LYS A 68 -5.116 4.441 7.862 1.00 0.00 C ATOM 1101 O LYS A 68 -5.406 3.963 8.960 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.575 2.554 7.269 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.737 1.719 6.758 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.522 1.275 5.322 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.961 2.347 4.337 1.00 0.00 C ATOM 1106 NZ LYS A 68 -6.345 2.819 4.601 1.00 0.00 N ATOM 0 H LYS A 68 -2.385 4.415 8.644 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.883 4.318 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.678 2.296 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.383 2.297 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.863 0.843 7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.658 2.298 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.468 1.044 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.080 0.358 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.274 3.192 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.901 1.953 3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.864 2.893 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.829 2.143 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.312 3.752 5.060 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.876 5.322 7.239 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.155 5.747 7.773 1.00 0.00 C ATOM 1122 C LYS A 69 -8.296 5.116 6.975 1.00 0.00 C ATOM 1123 O LYS A 69 -8.219 3.943 6.587 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.258 7.273 7.756 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.284 7.960 8.699 1.00 0.00 C ATOM 1126 CD LYS A 69 -7.003 8.593 9.883 1.00 0.00 C ATOM 1127 CE LYS A 69 -7.341 7.570 10.960 1.00 0.00 C ATOM 1128 NZ LYS A 69 -6.335 6.477 11.036 1.00 0.00 N ATOM 0 H LYS A 69 -5.625 5.761 6.353 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.234 5.412 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.081 7.629 6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.274 7.563 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.554 7.236 9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.730 8.726 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.377 9.376 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.919 9.071 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.404 8.070 11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.323 7.143 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.412 5.997 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.508 5.792 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.380 6.876 10.933 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.332 5.897 6.700 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.547 5.374 6.093 1.00 0.00 C ATOM 1144 C GLU A 70 -10.690 5.803 4.630 1.00 0.00 C ATOM 1145 O GLU A 70 -11.616 6.534 4.280 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.768 5.840 6.897 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.481 6.064 8.376 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.282 7.529 8.725 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.338 8.156 8.193 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -12.067 8.066 9.536 1.00 0.00 O ATOM 0 H GLU A 70 -9.354 6.899 6.889 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.484 4.286 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.144 6.768 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.561 5.098 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.306 5.664 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.589 5.505 8.656 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.779 5.343 3.775 1.00 0.00 N ATOM 1158 CA GLY A 71 -9.921 5.603 2.350 1.00 0.00 C ATOM 1159 C GLY A 71 -8.600 5.660 1.603 1.00 0.00 C ATOM 1160 O GLY A 71 -8.575 5.609 0.375 1.00 0.00 O ATOM 0 H GLY A 71 -8.955 4.802 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.544 4.825 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.446 6.548 2.213 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.508 5.758 2.338 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.178 5.896 1.742 1.00 0.00 C ATOM 1166 C ASP A 72 -5.772 4.650 0.961 1.00 0.00 C ATOM 1167 O ASP A 72 -5.803 3.531 1.485 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.123 6.178 2.826 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.734 6.361 4.190 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.356 5.398 4.682 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.606 7.451 4.775 1.00 0.00 O ATOM 0 H ASP A 72 -7.509 5.745 3.358 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.228 6.736 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.410 5.354 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.563 7.074 2.559 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.411 4.867 -0.296 1.00 0.00 N ATOM 1177 CA ILE A 73 -4.874 3.824 -1.160 1.00 0.00 C ATOM 1178 C ILE A 73 -3.367 4.025 -1.331 1.00 0.00 C ATOM 1179 O ILE A 73 -2.906 5.159 -1.442 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.575 3.858 -2.541 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.025 3.417 -2.397 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -4.868 2.981 -3.562 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.008 4.402 -2.979 1.00 0.00 C ATOM 0 H ILE A 73 -5.483 5.778 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.057 2.852 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.535 4.885 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.155 2.452 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.250 3.271 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.394 3.036 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.843 3.329 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.859 1.949 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.022 4.027 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.905 5.362 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.808 4.530 -4.043 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.578 2.941 -1.338 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.123 3.033 -1.448 1.00 0.00 C ATOM 1197 C PRO A 74 -0.678 3.551 -2.813 1.00 0.00 C ATOM 1198 O PRO A 74 -0.763 2.843 -3.813 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.653 1.591 -1.247 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.819 0.750 -1.630 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.037 1.544 -1.257 1.00 0.00 C ATOM 0 HA PRO A 74 -0.706 3.734 -0.725 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.215 1.369 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.360 1.412 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.808 0.529 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.800 -0.206 -1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.864 1.354 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.387 1.294 -0.255 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.198 4.780 -2.846 1.00 0.00 N ATOM 1210 CA VAL A 75 0.236 5.391 -4.092 1.00 0.00 C ATOM 1211 C VAL A 75 1.745 5.262 -4.253 1.00 0.00 C ATOM 1212 O VAL A 75 2.458 4.997 -3.283 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.180 6.876 -4.171 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.686 6.985 -4.345 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.280 7.637 -2.936 1.00 0.00 C ATOM 0 H VAL A 75 -0.098 5.377 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.256 4.860 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 75 0.305 7.327 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.971 8.036 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.984 6.480 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.185 6.518 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.025 8.680 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.170 7.195 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.366 7.582 -2.858 1.00 0.00 H new ATOM 1225 N PRO A 76 2.255 5.429 -5.483 1.00 0.00 N ATOM 1226 CA PRO A 76 3.686 5.296 -5.767 1.00 0.00 C ATOM 1227 C PRO A 76 4.506 6.343 -5.032 1.00 0.00 C ATOM 1228 O PRO A 76 5.649 6.103 -4.645 1.00 0.00 O ATOM 1229 CB PRO A 76 3.787 5.501 -7.285 1.00 0.00 C ATOM 1230 CG PRO A 76 2.397 5.347 -7.805 1.00 0.00 C ATOM 1231 CD PRO A 76 1.479 5.753 -6.690 1.00 0.00 C ATOM 0 HA PRO A 76 4.077 4.333 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.187 6.487 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.457 4.769 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.240 5.972 -8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.208 4.317 -8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.232 6.814 -6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.538 5.205 -6.723 1.00 0.00 H new ATOM 1239 N ASP A 77 3.892 7.498 -4.830 1.00 0.00 N ATOM 1240 CA ASP A 77 4.524 8.612 -4.144 1.00 0.00 C ATOM 1241 C ASP A 77 3.483 9.680 -3.859 1.00 0.00 C ATOM 1242 O ASP A 77 2.941 10.280 -4.783 1.00 0.00 O ATOM 1243 CB ASP A 77 5.658 9.193 -4.992 1.00 0.00 C ATOM 1244 CG ASP A 77 6.521 10.163 -4.216 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.010 11.215 -3.798 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.722 9.882 -4.033 1.00 0.00 O ATOM 0 H ASP A 77 2.939 7.689 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 77 4.949 8.258 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.279 8.380 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.236 9.700 -5.859 1.00 0.00 H new ATOM 1251 N PRO A 78 3.179 9.919 -2.576 1.00 0.00 N ATOM 1252 CA PRO A 78 2.133 10.867 -2.169 1.00 0.00 C ATOM 1253 C PRO A 78 2.465 12.317 -2.513 1.00 0.00 C ATOM 1254 O PRO A 78 1.597 13.190 -2.450 1.00 0.00 O ATOM 1255 CB PRO A 78 2.053 10.687 -0.650 1.00 0.00 C ATOM 1256 CG PRO A 78 3.374 10.115 -0.257 1.00 0.00 C ATOM 1257 CD PRO A 78 3.825 9.276 -1.418 1.00 0.00 C ATOM 0 HA PRO A 78 1.197 10.668 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.870 11.638 -0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.237 10.020 -0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.094 10.906 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.285 9.513 0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.911 9.273 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.512 8.238 -1.309 1.00 0.00 H new ATOM 1265 N THR A 79 3.713 12.573 -2.874 1.00 0.00 N ATOM 1266 CA THR A 79 4.137 13.921 -3.214 1.00 0.00 C ATOM 1267 C THR A 79 4.369 14.067 -4.718 1.00 0.00 C ATOM 1268 O THR A 79 4.535 15.175 -5.225 1.00 0.00 O ATOM 1269 CB THR A 79 5.423 14.305 -2.456 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.185 13.133 -2.137 1.00 0.00 O ATOM 1271 CG2 THR A 79 5.090 15.044 -1.175 1.00 0.00 C ATOM 0 H THR A 79 4.447 11.868 -2.939 1.00 0.00 H new ATOM 0 HA THR A 79 3.334 14.595 -2.916 1.00 0.00 H new ATOM 0 HB THR A 79 6.011 14.956 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.383 12.638 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.012 15.306 -0.656 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.537 15.953 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.481 14.406 -0.534 1.00 0.00 H new ATOM 1279 N VAL A 80 4.369 12.945 -5.426 1.00 0.00 N ATOM 1280 CA VAL A 80 4.636 12.942 -6.858 1.00 0.00 C ATOM 1281 C VAL A 80 3.392 12.532 -7.645 1.00 0.00 C ATOM 1282 O VAL A 80 3.019 13.188 -8.621 1.00 0.00 O ATOM 1283 CB VAL A 80 5.816 11.997 -7.198 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.781 11.556 -8.655 1.00 0.00 C ATOM 1285 CG2 VAL A 80 7.143 12.672 -6.882 1.00 0.00 C ATOM 0 H VAL A 80 4.186 12.023 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 80 4.909 13.957 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 80 5.714 11.105 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.624 10.895 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.849 11.026 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.845 12.431 -9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.962 11.996 -7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.237 13.584 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.181 12.920 -5.821 1.00 0.00 H new ATOM 1295 N ASP A 81 2.746 11.458 -7.211 1.00 0.00 N ATOM 1296 CA ASP A 81 1.584 10.933 -7.914 1.00 0.00 C ATOM 1297 C ASP A 81 0.297 11.379 -7.238 1.00 0.00 C ATOM 1298 O ASP A 81 0.318 11.901 -6.122 1.00 0.00 O ATOM 1299 CB ASP A 81 1.631 9.402 -7.975 1.00 0.00 C ATOM 1300 CG ASP A 81 0.853 8.854 -9.156 1.00 0.00 C ATOM 1301 OD1 ASP A 81 0.288 9.656 -9.922 1.00 0.00 O ATOM 1302 OD2 ASP A 81 0.808 7.621 -9.329 1.00 0.00 O ATOM 0 H ASP A 81 3.007 10.934 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 81 1.604 11.328 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.668 9.074 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.225 8.990 -7.051 1.00 0.00 H new ATOM 1307 N LYS A 82 -0.818 11.176 -7.921 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.119 11.509 -7.376 1.00 0.00 C ATOM 1309 C LYS A 82 -2.519 10.490 -6.317 1.00 0.00 C ATOM 1310 O LYS A 82 -2.963 9.385 -6.639 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.170 11.562 -8.488 1.00 0.00 C ATOM 1312 CG LYS A 82 -4.071 12.787 -8.414 1.00 0.00 C ATOM 1313 CD LYS A 82 -5.540 12.401 -8.436 1.00 0.00 C ATOM 1314 CE LYS A 82 -6.243 12.936 -9.673 1.00 0.00 C ATOM 1315 NZ LYS A 82 -6.224 14.423 -9.732 1.00 0.00 N ATOM 0 H LYS A 82 -0.845 10.779 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.060 12.494 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.666 11.549 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.786 10.664 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.854 13.345 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.855 13.449 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.632 11.315 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.031 12.787 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.763 12.533 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.276 12.587 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.026 14.758 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.299 14.810 -8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.334 14.742 -10.164 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.303 10.857 -5.061 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.712 10.039 -3.928 1.00 0.00 C ATOM 1331 C GLN A 83 -4.200 9.694 -4.021 1.00 0.00 C ATOM 1332 O GLN A 83 -5.058 10.568 -3.881 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.403 10.777 -2.615 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.135 10.228 -1.398 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.502 8.960 -0.864 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.434 8.994 -0.256 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.162 7.834 -1.081 1.00 0.00 N ATOM 0 H GLN A 83 -1.841 11.728 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.151 9.105 -3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.330 10.730 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.660 11.829 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.145 10.984 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.174 10.029 -1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.046 7.851 -1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.787 6.949 -0.739 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.499 8.424 -4.278 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.881 7.984 -4.383 1.00 0.00 C ATOM 1348 C ILE A 84 -6.479 7.787 -2.994 1.00 0.00 C ATOM 1349 O ILE A 84 -5.863 7.164 -2.127 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.042 6.665 -5.188 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.075 6.603 -6.374 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.473 6.527 -5.685 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.073 5.475 -6.282 1.00 0.00 C ATOM 0 H ILE A 84 -3.806 7.688 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.409 8.769 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.805 5.839 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.649 6.493 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.538 7.549 -6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.575 5.599 -6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.154 6.512 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.717 7.371 -6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.422 5.494 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.473 5.594 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.601 4.522 -6.243 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.663 8.346 -2.777 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.368 8.187 -1.513 1.00 0.00 C ATOM 1367 C LYS A 85 -9.857 7.960 -1.769 1.00 0.00 C ATOM 1368 O LYS A 85 -10.468 8.660 -2.576 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.164 9.419 -0.620 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.437 10.744 -1.318 1.00 0.00 C ATOM 1371 CD LYS A 85 -9.452 11.577 -0.551 1.00 0.00 C ATOM 1372 CE LYS A 85 -9.668 12.931 -1.202 1.00 0.00 C ATOM 1373 NZ LYS A 85 -10.776 13.686 -0.559 1.00 0.00 N ATOM 0 H LYS A 85 -8.156 8.916 -3.464 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.961 7.318 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.817 9.337 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.139 9.420 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.506 11.303 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.806 10.556 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.400 11.041 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.109 11.716 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.749 13.514 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.889 12.794 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.635 14.705 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.683 13.396 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.787 13.485 0.461 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.422 6.965 -1.106 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.848 6.678 -1.217 1.00 0.00 C ATOM 1389 C ILE A 86 -12.623 7.454 -0.164 1.00 0.00 C ATOM 1390 O ILE A 86 -12.190 7.558 0.983 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.153 5.172 -1.040 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.114 4.320 -1.759 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.547 4.836 -1.552 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -10.576 3.181 -0.921 1.00 0.00 C ATOM 0 H ILE A 86 -9.915 6.338 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.155 6.980 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.111 4.948 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.557 3.913 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.284 4.957 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.738 3.771 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.287 5.411 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.615 5.085 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.842 2.619 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.103 3.581 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.395 2.521 -0.635 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.762 8.003 -0.554 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.608 8.723 0.383 1.00 0.00 C ATOM 1408 C GLU A 87 -15.534 7.747 1.096 1.00 0.00 C ATOM 1409 O GLU A 87 -16.556 7.333 0.545 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.427 9.790 -0.344 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.598 10.685 -1.251 1.00 0.00 C ATOM 1412 CD GLU A 87 -14.098 11.932 -0.546 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -14.698 12.331 0.475 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -13.110 12.533 -1.018 1.00 0.00 O ATOM 0 H GLU A 87 -14.121 7.964 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.974 9.218 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.199 9.301 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.938 10.409 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.746 10.121 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.197 10.976 -2.114 1.00 0.00 H new