USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 771 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 27 THR OG1 : rot 180:sc= -0.0544 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.22 K(o=-0.27,f=-1.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 31:sc= 0.982 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -104:sc= 1.1 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.117 K(o=0.12,f=-2.6) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 19:sc= -0.146 USER MOD Single : A 33 SER OG : rot 180:sc= -0.104 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -1.84 F(o=-3.3!,f=-1.8) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-3.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.76 K(o=-1.8,f=-7.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 120:sc= -2.76 USER MOD Single : A 77 TYR OH : rot -4:sc= -1.43 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 108:sc= 1.28 USER MOD Single : A 81 CYS SG : rot -6:sc= -7.96! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0668 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.036 38.175 9.542 1.00 0.00 N ATOM 2 CA GLY A 1 -11.619 36.911 9.955 1.00 0.00 C ATOM 3 C GLY A 1 -10.579 35.823 10.129 1.00 0.00 C ATOM 4 O GLY A 1 -9.605 35.996 10.863 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.788 38.886 9.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.355 38.495 10.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.547 38.051 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.155 37.051 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.352 36.593 9.214 1.00 0.00 H new ATOM 8 N SER A 2 -10.785 34.696 9.455 1.00 0.00 N ATOM 9 CA SER A 2 -9.860 33.572 9.543 1.00 0.00 C ATOM 10 C SER A 2 -9.028 33.452 8.270 1.00 0.00 C ATOM 11 O SER A 2 -9.502 33.754 7.174 1.00 0.00 O ATOM 12 CB SER A 2 -10.627 32.271 9.789 1.00 0.00 C ATOM 13 OG SER A 2 -9.782 31.144 9.632 1.00 0.00 O ATOM 0 H SER A 2 -11.584 34.537 8.842 1.00 0.00 H new ATOM 0 HA SER A 2 -9.186 33.753 10.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.047 32.277 10.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.464 32.202 9.094 1.00 0.00 H new ATOM 0 HG SER A 2 -10.295 30.325 9.796 1.00 0.00 H new ATOM 19 N SER A 3 -7.784 33.010 8.423 1.00 0.00 N ATOM 20 CA SER A 3 -6.883 32.854 7.287 1.00 0.00 C ATOM 21 C SER A 3 -5.787 31.839 7.598 1.00 0.00 C ATOM 22 O SER A 3 -5.699 31.326 8.713 1.00 0.00 O ATOM 23 CB SER A 3 -6.257 34.200 6.916 1.00 0.00 C ATOM 24 OG SER A 3 -5.661 34.814 8.046 1.00 0.00 O ATOM 0 H SER A 3 -7.377 32.754 9.322 1.00 0.00 H new ATOM 0 HA SER A 3 -7.465 32.487 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.506 34.054 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.021 34.858 6.501 1.00 0.00 H new ATOM 0 HG SER A 3 -5.267 35.672 7.782 1.00 0.00 H new ATOM 30 N GLY A 4 -4.952 31.555 6.603 1.00 0.00 N ATOM 31 CA GLY A 4 -3.873 30.603 6.790 1.00 0.00 C ATOM 32 C GLY A 4 -2.593 31.036 6.103 1.00 0.00 C ATOM 33 O GLY A 4 -1.947 31.995 6.526 1.00 0.00 O ATOM 0 H GLY A 4 -5.004 31.967 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.685 30.477 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.179 29.631 6.403 1.00 0.00 H new ATOM 37 N SER A 5 -2.224 30.326 5.041 1.00 0.00 N ATOM 38 CA SER A 5 -1.009 30.639 4.297 1.00 0.00 C ATOM 39 C SER A 5 -0.918 29.799 3.027 1.00 0.00 C ATOM 40 O SER A 5 -0.744 28.582 3.087 1.00 0.00 O ATOM 41 CB SER A 5 0.225 30.401 5.170 1.00 0.00 C ATOM 42 OG SER A 5 0.390 29.022 5.453 1.00 0.00 O ATOM 0 H SER A 5 -2.749 29.531 4.677 1.00 0.00 H new ATOM 0 HA SER A 5 -1.047 31.691 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.112 30.780 4.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.128 30.958 6.102 1.00 0.00 H new ATOM 0 HG SER A 5 0.039 28.491 4.708 1.00 0.00 H new ATOM 48 N SER A 6 -1.036 30.458 1.879 1.00 0.00 N ATOM 49 CA SER A 6 -0.971 29.772 0.594 1.00 0.00 C ATOM 50 C SER A 6 0.009 28.604 0.650 1.00 0.00 C ATOM 51 O SER A 6 1.175 28.774 1.002 1.00 0.00 O ATOM 52 CB SER A 6 -0.556 30.748 -0.509 1.00 0.00 C ATOM 53 OG SER A 6 -0.778 30.191 -1.793 1.00 0.00 O ATOM 0 H SER A 6 -1.177 31.466 1.812 1.00 0.00 H new ATOM 0 HA SER A 6 -1.963 29.381 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.120 31.676 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.498 31.002 -0.397 1.00 0.00 H new ATOM 0 HG SER A 6 -0.506 30.835 -2.480 1.00 0.00 H new ATOM 59 N GLY A 7 -0.475 27.416 0.301 1.00 0.00 N ATOM 60 CA GLY A 7 0.370 26.236 0.318 1.00 0.00 C ATOM 61 C GLY A 7 -0.431 24.949 0.318 1.00 0.00 C ATOM 62 O GLY A 7 -0.760 24.398 1.368 1.00 0.00 O ATOM 0 H GLY A 7 -1.437 27.250 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.027 26.251 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.009 26.263 1.201 1.00 0.00 H new ATOM 66 N PRO A 8 -0.758 24.451 -0.884 1.00 0.00 N ATOM 67 CA PRO A 8 -1.530 23.216 -1.046 1.00 0.00 C ATOM 68 C PRO A 8 -0.736 21.979 -0.640 1.00 0.00 C ATOM 69 O PRO A 8 0.476 21.912 -0.846 1.00 0.00 O ATOM 70 CB PRO A 8 -1.840 23.185 -2.544 1.00 0.00 C ATOM 71 CG PRO A 8 -0.752 23.986 -3.173 1.00 0.00 C ATOM 72 CD PRO A 8 -0.398 25.056 -2.178 1.00 0.00 C ATOM 0 HA PRO A 8 -2.418 23.204 -0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.851 22.164 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.820 23.614 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.112 23.361 -3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.084 24.423 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.661 25.311 -2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.955 25.975 -2.361 1.00 0.00 H new ATOM 80 N SER A 9 -1.427 21.001 -0.064 1.00 0.00 N ATOM 81 CA SER A 9 -0.785 19.766 0.373 1.00 0.00 C ATOM 82 C SER A 9 -0.104 19.064 -0.797 1.00 0.00 C ATOM 83 O SER A 9 -0.611 19.068 -1.919 1.00 0.00 O ATOM 84 CB SER A 9 -1.813 18.832 1.015 1.00 0.00 C ATOM 85 OG SER A 9 -2.487 19.473 2.084 1.00 0.00 O ATOM 0 H SER A 9 -2.431 21.039 0.111 1.00 0.00 H new ATOM 0 HA SER A 9 -0.026 20.022 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.536 18.512 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.315 17.934 1.381 1.00 0.00 H new ATOM 0 HG SER A 9 -2.144 19.135 2.937 1.00 0.00 H new ATOM 91 N LYS A 10 1.049 18.462 -0.528 1.00 0.00 N ATOM 92 CA LYS A 10 1.802 17.753 -1.556 1.00 0.00 C ATOM 93 C LYS A 10 2.525 16.546 -0.967 1.00 0.00 C ATOM 94 O LYS A 10 3.020 16.596 0.159 1.00 0.00 O ATOM 95 CB LYS A 10 2.812 18.694 -2.217 1.00 0.00 C ATOM 96 CG LYS A 10 2.236 19.485 -3.379 1.00 0.00 C ATOM 97 CD LYS A 10 3.267 20.428 -3.977 1.00 0.00 C ATOM 98 CE LYS A 10 3.488 21.646 -3.094 1.00 0.00 C ATOM 99 NZ LYS A 10 4.185 22.741 -3.823 1.00 0.00 N ATOM 0 H LYS A 10 1.483 18.451 0.395 1.00 0.00 H new ATOM 0 HA LYS A 10 1.097 17.399 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.192 19.389 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.662 18.111 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.881 18.798 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.373 20.057 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.210 19.899 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.938 20.749 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.527 22.008 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.075 21.360 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.317 23.553 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.113 22.404 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.613 23.032 -4.642 1.00 0.00 H new ATOM 113 N PHE A 11 2.585 15.464 -1.736 1.00 0.00 N ATOM 114 CA PHE A 11 3.248 14.245 -1.290 1.00 0.00 C ATOM 115 C PHE A 11 4.765 14.411 -1.316 1.00 0.00 C ATOM 116 O PHE A 11 5.358 14.629 -2.373 1.00 0.00 O ATOM 117 CB PHE A 11 2.837 13.064 -2.172 1.00 0.00 C ATOM 118 CG PHE A 11 1.371 12.746 -2.103 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.857 12.007 -1.050 1.00 0.00 C ATOM 120 CD2 PHE A 11 0.507 13.187 -3.093 1.00 0.00 C ATOM 121 CE1 PHE A 11 -0.492 11.713 -0.984 1.00 0.00 C ATOM 122 CE2 PHE A 11 -0.843 12.896 -3.032 1.00 0.00 C ATOM 123 CZ PHE A 11 -1.343 12.158 -1.977 1.00 0.00 C ATOM 0 H PHE A 11 2.182 15.407 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 11 2.939 14.047 -0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.105 13.282 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.406 12.183 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.518 11.656 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.892 13.764 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.880 11.136 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.507 13.246 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.397 11.929 -1.928 1.00 0.00 H new ATOM 133 N ILE A 12 5.386 14.306 -0.146 1.00 0.00 N ATOM 134 CA ILE A 12 6.833 14.443 -0.035 1.00 0.00 C ATOM 135 C ILE A 12 7.542 13.170 -0.484 1.00 0.00 C ATOM 136 O ILE A 12 8.417 13.208 -1.349 1.00 0.00 O ATOM 137 CB ILE A 12 7.257 14.772 1.408 1.00 0.00 C ATOM 138 CG1 ILE A 12 6.162 15.574 2.115 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.570 15.541 1.412 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.666 16.757 1.313 1.00 0.00 C ATOM 0 H ILE A 12 4.910 14.127 0.738 1.00 0.00 H new ATOM 0 HA ILE A 12 7.123 15.266 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 12 7.404 13.837 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.322 14.914 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.543 15.929 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.857 15.766 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.347 14.937 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.449 16.471 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.892 17.279 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.495 17.438 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.254 16.408 0.366 1.00 0.00 H new ATOM 152 N GLU A 13 7.157 12.044 0.109 1.00 0.00 N ATOM 153 CA GLU A 13 7.756 10.759 -0.231 1.00 0.00 C ATOM 154 C GLU A 13 6.974 10.072 -1.346 1.00 0.00 C ATOM 155 O GLU A 13 7.551 9.412 -2.209 1.00 0.00 O ATOM 156 CB GLU A 13 7.810 9.854 1.002 1.00 0.00 C ATOM 157 CG GLU A 13 9.059 10.048 1.846 1.00 0.00 C ATOM 158 CD GLU A 13 10.283 9.395 1.235 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.334 9.272 -0.007 1.00 0.00 O ATOM 160 OE2 GLU A 13 11.191 9.005 1.999 1.00 0.00 O ATOM 0 H GLU A 13 6.434 11.996 0.827 1.00 0.00 H new ATOM 0 HA GLU A 13 8.771 10.942 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.932 10.043 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.757 8.814 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.246 11.114 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.889 9.634 2.840 1.00 0.00 H new ATOM 167 N GLY A 14 5.654 10.233 -1.321 1.00 0.00 N ATOM 168 CA GLY A 14 4.813 9.622 -2.334 1.00 0.00 C ATOM 169 C GLY A 14 4.598 8.141 -2.093 1.00 0.00 C ATOM 170 O GLY A 14 5.366 7.504 -1.372 1.00 0.00 O ATOM 0 H GLY A 14 5.152 10.775 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.848 10.128 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.268 9.765 -3.314 1.00 0.00 H new ATOM 174 N LEU A 15 3.550 7.591 -2.696 1.00 0.00 N ATOM 175 CA LEU A 15 3.234 6.175 -2.543 1.00 0.00 C ATOM 176 C LEU A 15 4.174 5.314 -3.381 1.00 0.00 C ATOM 177 O LEU A 15 4.365 5.564 -4.571 1.00 0.00 O ATOM 178 CB LEU A 15 1.783 5.909 -2.947 1.00 0.00 C ATOM 179 CG LEU A 15 0.715 6.358 -1.949 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.644 6.447 -2.625 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.661 5.407 -0.762 1.00 0.00 C ATOM 0 H LEU A 15 2.904 8.104 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 15 3.366 5.910 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.595 6.407 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.665 4.839 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 15 0.981 7.350 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.391 6.768 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.598 7.168 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.919 5.469 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.104 5.742 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.419 4.403 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.629 5.394 -0.262 1.00 0.00 H new ATOM 193 N ARG A 16 4.756 4.299 -2.752 1.00 0.00 N ATOM 194 CA ARG A 16 5.675 3.400 -3.440 1.00 0.00 C ATOM 195 C ARG A 16 5.050 2.020 -3.623 1.00 0.00 C ATOM 196 O ARG A 16 4.232 1.585 -2.813 1.00 0.00 O ATOM 197 CB ARG A 16 6.985 3.278 -2.659 1.00 0.00 C ATOM 198 CG ARG A 16 7.791 4.566 -2.619 1.00 0.00 C ATOM 199 CD ARG A 16 8.811 4.550 -1.491 1.00 0.00 C ATOM 200 NE ARG A 16 9.808 3.498 -1.669 1.00 0.00 N ATOM 201 CZ ARG A 16 10.784 3.556 -2.569 1.00 0.00 C ATOM 202 NH1 ARG A 16 10.892 4.609 -3.367 1.00 0.00 N ATOM 203 NH2 ARG A 16 11.653 2.559 -2.671 1.00 0.00 N ATOM 0 H ARG A 16 4.608 4.078 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 16 5.885 3.819 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.762 2.967 -1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.593 2.492 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.302 4.706 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.118 5.414 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.310 5.518 -1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.298 4.406 -0.540 1.00 0.00 H new ATOM 0 HE ARG A 16 9.752 2.674 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.225 5.377 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.642 4.651 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.572 1.747 -2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.402 2.604 -3.362 1.00 0.00 H new ATOM 217 N ASN A 17 5.441 1.336 -4.694 1.00 0.00 N ATOM 218 CA ASN A 17 4.919 0.006 -4.984 1.00 0.00 C ATOM 219 C ASN A 17 5.029 -0.901 -3.762 1.00 0.00 C ATOM 220 O ASN A 17 6.128 -1.260 -3.341 1.00 0.00 O ATOM 221 CB ASN A 17 5.672 -0.615 -6.163 1.00 0.00 C ATOM 222 CG ASN A 17 5.402 0.111 -7.467 1.00 0.00 C ATOM 223 OD1 ASN A 17 4.336 0.698 -7.655 1.00 0.00 O ATOM 224 ND2 ASN A 17 6.370 0.073 -8.376 1.00 0.00 N ATOM 0 H ASN A 17 6.117 1.681 -5.375 1.00 0.00 H new ATOM 0 HA ASN A 17 3.866 0.106 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.742 -0.599 -5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.382 -1.661 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.246 0.543 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.237 -0.426 -8.177 1.00 0.00 H new ATOM 231 N GLU A 18 3.882 -1.267 -3.198 1.00 0.00 N ATOM 232 CA GLU A 18 3.851 -2.131 -2.024 1.00 0.00 C ATOM 233 C GLU A 18 3.616 -3.585 -2.425 1.00 0.00 C ATOM 234 O GLU A 18 2.554 -3.934 -2.940 1.00 0.00 O ATOM 235 CB GLU A 18 2.757 -1.675 -1.056 1.00 0.00 C ATOM 236 CG GLU A 18 2.676 -2.513 0.209 1.00 0.00 C ATOM 237 CD GLU A 18 3.781 -2.189 1.195 1.00 0.00 C ATOM 238 OE1 GLU A 18 3.992 -0.991 1.478 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.435 -3.134 1.683 1.00 0.00 O ATOM 0 H GLU A 18 2.963 -0.979 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 18 4.819 -2.060 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.936 -0.635 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.795 -1.709 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.709 -2.351 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.728 -3.569 -0.055 1.00 0.00 H new ATOM 246 N GLU A 19 4.616 -4.428 -2.186 1.00 0.00 N ATOM 247 CA GLU A 19 4.519 -5.843 -2.523 1.00 0.00 C ATOM 248 C GLU A 19 4.494 -6.702 -1.263 1.00 0.00 C ATOM 249 O GLU A 19 5.463 -6.741 -0.506 1.00 0.00 O ATOM 250 CB GLU A 19 5.692 -6.259 -3.414 1.00 0.00 C ATOM 251 CG GLU A 19 5.733 -7.749 -3.709 1.00 0.00 C ATOM 252 CD GLU A 19 6.259 -8.561 -2.541 1.00 0.00 C ATOM 253 OE1 GLU A 19 7.227 -8.110 -1.894 1.00 0.00 O ATOM 254 OE2 GLU A 19 5.702 -9.646 -2.273 1.00 0.00 O ATOM 0 H GLU A 19 5.502 -4.155 -1.760 1.00 0.00 H new ATOM 0 HA GLU A 19 3.586 -5.998 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.634 -5.712 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.625 -5.967 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.730 -8.093 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.362 -7.926 -4.582 1.00 0.00 H new ATOM 261 N ALA A 20 3.377 -7.390 -1.045 1.00 0.00 N ATOM 262 CA ALA A 20 3.225 -8.249 0.122 1.00 0.00 C ATOM 263 C ALA A 20 2.732 -9.636 -0.278 1.00 0.00 C ATOM 264 O ALA A 20 2.479 -9.901 -1.453 1.00 0.00 O ATOM 265 CB ALA A 20 2.270 -7.616 1.123 1.00 0.00 C ATOM 0 H ALA A 20 2.565 -7.369 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 20 4.203 -8.360 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.166 -8.269 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.664 -6.651 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.295 -7.474 0.656 1.00 0.00 H new ATOM 271 N THR A 21 2.599 -10.519 0.707 1.00 0.00 N ATOM 272 CA THR A 21 2.138 -11.879 0.458 1.00 0.00 C ATOM 273 C THR A 21 0.661 -12.031 0.804 1.00 0.00 C ATOM 274 O THR A 21 0.209 -11.570 1.851 1.00 0.00 O ATOM 275 CB THR A 21 2.952 -12.905 1.268 1.00 0.00 C ATOM 276 OG1 THR A 21 4.347 -12.765 0.975 1.00 0.00 O ATOM 277 CG2 THR A 21 2.502 -14.323 0.952 1.00 0.00 C ATOM 0 H THR A 21 2.804 -10.316 1.685 1.00 0.00 H new ATOM 0 HA THR A 21 2.281 -12.071 -0.605 1.00 0.00 H new ATOM 0 HB THR A 21 2.783 -12.715 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.858 -13.420 1.495 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.091 -15.030 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.447 -14.435 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.645 -14.522 -0.110 1.00 0.00 H new ATOM 285 N GLU A 22 -0.086 -12.681 -0.084 1.00 0.00 N ATOM 286 CA GLU A 22 -1.512 -12.893 0.130 1.00 0.00 C ATOM 287 C GLU A 22 -1.788 -13.339 1.563 1.00 0.00 C ATOM 288 O GLU A 22 -0.974 -14.026 2.178 1.00 0.00 O ATOM 289 CB GLU A 22 -2.048 -13.938 -0.853 1.00 0.00 C ATOM 290 CG GLU A 22 -3.550 -14.144 -0.763 1.00 0.00 C ATOM 291 CD GLU A 22 -4.024 -15.340 -1.565 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.725 -16.482 -1.158 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.692 -15.134 -2.600 1.00 0.00 O ATOM 0 H GLU A 22 0.273 -13.069 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.023 -11.946 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.792 -13.635 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.548 -14.889 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.833 -14.276 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.058 -13.248 -1.120 1.00 0.00 H new ATOM 300 N GLY A 23 -2.943 -12.942 2.088 1.00 0.00 N ATOM 301 CA GLY A 23 -3.306 -13.309 3.444 1.00 0.00 C ATOM 302 C GLY A 23 -2.777 -12.328 4.472 1.00 0.00 C ATOM 303 O GLY A 23 -3.451 -12.024 5.456 1.00 0.00 O ATOM 0 H GLY A 23 -3.634 -12.373 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.392 -13.364 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.919 -14.304 3.664 1.00 0.00 H new ATOM 307 N ASP A 24 -1.565 -11.832 4.244 1.00 0.00 N ATOM 308 CA ASP A 24 -0.945 -10.880 5.158 1.00 0.00 C ATOM 309 C ASP A 24 -1.692 -9.550 5.147 1.00 0.00 C ATOM 310 O ASP A 24 -2.487 -9.279 4.246 1.00 0.00 O ATOM 311 CB ASP A 24 0.521 -10.659 4.780 1.00 0.00 C ATOM 312 CG ASP A 24 1.332 -11.938 4.836 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.744 -13.024 4.650 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.557 -11.853 5.065 1.00 0.00 O ATOM 0 H ASP A 24 -0.993 -12.074 3.435 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.994 -11.295 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.575 -10.242 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.960 -9.924 5.454 1.00 0.00 H new ATOM 319 N THR A 25 -1.434 -8.724 6.156 1.00 0.00 N ATOM 320 CA THR A 25 -2.083 -7.423 6.264 1.00 0.00 C ATOM 321 C THR A 25 -1.176 -6.311 5.750 1.00 0.00 C ATOM 322 O THR A 25 -0.297 -5.834 6.467 1.00 0.00 O ATOM 323 CB THR A 25 -2.482 -7.114 7.719 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.149 -8.242 8.295 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.389 -5.895 7.784 1.00 0.00 C ATOM 0 H THR A 25 -0.780 -8.933 6.910 1.00 0.00 H new ATOM 0 HA THR A 25 -2.982 -7.467 5.650 1.00 0.00 H new ATOM 0 HB THR A 25 -1.574 -6.903 8.284 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.398 -8.037 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.658 -5.696 8.822 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.867 -5.031 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.293 -6.083 7.205 1.00 0.00 H new ATOM 333 N ALA A 26 -1.395 -5.903 4.505 1.00 0.00 N ATOM 334 CA ALA A 26 -0.599 -4.844 3.897 1.00 0.00 C ATOM 335 C ALA A 26 -0.804 -3.518 4.620 1.00 0.00 C ATOM 336 O ALA A 26 -1.830 -3.303 5.266 1.00 0.00 O ATOM 337 CB ALA A 26 -0.947 -4.703 2.422 1.00 0.00 C ATOM 0 H ALA A 26 -2.117 -6.290 3.897 1.00 0.00 H new ATOM 0 HA ALA A 26 0.452 -5.117 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.345 -3.909 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.741 -5.642 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.004 -4.457 2.319 1.00 0.00 H new ATOM 343 N THR A 27 0.178 -2.629 4.508 1.00 0.00 N ATOM 344 CA THR A 27 0.106 -1.324 5.153 1.00 0.00 C ATOM 345 C THR A 27 0.897 -0.281 4.372 1.00 0.00 C ATOM 346 O THR A 27 2.124 -0.346 4.296 1.00 0.00 O ATOM 347 CB THR A 27 0.639 -1.381 6.597 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.043 -2.404 7.331 1.00 0.00 O ATOM 349 CG2 THR A 27 0.455 -0.042 7.294 1.00 0.00 C ATOM 0 H THR A 27 1.033 -2.789 3.976 1.00 0.00 H new ATOM 0 HA THR A 27 -0.946 -1.039 5.173 1.00 0.00 H new ATOM 0 HB THR A 27 1.704 -1.610 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.303 -2.435 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.839 -0.106 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.999 0.730 6.749 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.605 0.212 7.321 1.00 0.00 H new ATOM 357 N LEU A 28 0.187 0.682 3.793 1.00 0.00 N ATOM 358 CA LEU A 28 0.823 1.741 3.018 1.00 0.00 C ATOM 359 C LEU A 28 0.838 3.052 3.798 1.00 0.00 C ATOM 360 O LEU A 28 -0.056 3.318 4.601 1.00 0.00 O ATOM 361 CB LEU A 28 0.094 1.934 1.687 1.00 0.00 C ATOM 362 CG LEU A 28 0.305 0.839 0.641 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.737 -0.257 0.799 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.256 1.425 -0.762 1.00 0.00 C ATOM 0 H LEU A 28 -0.829 0.751 3.846 1.00 0.00 H new ATOM 0 HA LEU A 28 1.853 1.445 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.974 2.015 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.410 2.885 1.257 1.00 0.00 H new ATOM 0 HG LEU A 28 1.291 0.400 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.571 -1.028 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.655 -0.697 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.733 0.167 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.408 0.631 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.716 1.890 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.040 2.174 -0.871 1.00 0.00 H new ATOM 376 N TRP A 29 1.857 3.868 3.553 1.00 0.00 N ATOM 377 CA TRP A 29 1.988 5.152 4.231 1.00 0.00 C ATOM 378 C TRP A 29 2.704 6.165 3.345 1.00 0.00 C ATOM 379 O TRP A 29 3.759 5.873 2.781 1.00 0.00 O ATOM 380 CB TRP A 29 2.746 4.983 5.549 1.00 0.00 C ATOM 381 CG TRP A 29 4.227 4.843 5.368 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.955 3.689 5.433 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.160 5.893 5.094 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.285 3.960 5.217 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.437 5.304 5.005 1.00 0.00 C ATOM 386 CE3 TRP A 29 5.041 7.274 4.912 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.583 6.049 4.744 1.00 0.00 C ATOM 388 CZ3 TRP A 29 6.181 8.012 4.654 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.438 7.399 4.571 1.00 0.00 C ATOM 0 H TRP A 29 2.604 3.663 2.890 1.00 0.00 H new ATOM 0 HA TRP A 29 0.986 5.526 4.442 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.545 5.843 6.188 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.366 4.103 6.068 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.546 2.708 5.626 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.037 3.271 5.215 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.076 7.755 4.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.553 5.578 4.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.101 9.080 4.514 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.309 8.003 4.367 1.00 0.00 H new ATOM 400 N CYS A 30 2.125 7.355 3.227 1.00 0.00 N ATOM 401 CA CYS A 30 2.709 8.411 2.408 1.00 0.00 C ATOM 402 C CYS A 30 2.843 9.705 3.204 1.00 0.00 C ATOM 403 O CYS A 30 2.040 9.983 4.093 1.00 0.00 O ATOM 404 CB CYS A 30 1.854 8.651 1.162 1.00 0.00 C ATOM 405 SG CYS A 30 0.231 9.369 1.508 1.00 0.00 S ATOM 0 H CYS A 30 1.252 7.612 3.688 1.00 0.00 H new ATOM 0 HA CYS A 30 3.704 8.090 2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.395 9.312 0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.717 7.704 0.641 1.00 0.00 H new ATOM 0 HG CYS A 30 0.237 9.904 2.693 1.00 0.00 H new ATOM 411 N GLU A 31 3.865 10.491 2.878 1.00 0.00 N ATOM 412 CA GLU A 31 4.105 11.755 3.566 1.00 0.00 C ATOM 413 C GLU A 31 3.350 12.895 2.888 1.00 0.00 C ATOM 414 O GLU A 31 3.077 12.847 1.688 1.00 0.00 O ATOM 415 CB GLU A 31 5.602 12.067 3.597 1.00 0.00 C ATOM 416 CG GLU A 31 5.972 13.181 4.562 1.00 0.00 C ATOM 417 CD GLU A 31 7.425 13.122 4.992 1.00 0.00 C ATOM 418 OE1 GLU A 31 8.278 13.683 4.274 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.708 12.515 6.046 1.00 0.00 O ATOM 0 H GLU A 31 4.539 10.275 2.143 1.00 0.00 H new ATOM 0 HA GLU A 31 3.740 11.658 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.147 11.164 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.928 12.343 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.775 14.144 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.333 13.120 5.443 1.00 0.00 H new ATOM 426 N LEU A 32 3.015 13.919 3.665 1.00 0.00 N ATOM 427 CA LEU A 32 2.291 15.072 3.142 1.00 0.00 C ATOM 428 C LEU A 32 2.983 16.373 3.534 1.00 0.00 C ATOM 429 O LEU A 32 3.700 16.430 4.533 1.00 0.00 O ATOM 430 CB LEU A 32 0.851 15.071 3.657 1.00 0.00 C ATOM 431 CG LEU A 32 -0.182 15.762 2.765 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.122 15.206 1.351 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.580 15.603 3.345 1.00 0.00 C ATOM 0 H LEU A 32 3.233 13.974 4.660 1.00 0.00 H new ATOM 0 HA LEU A 32 2.281 15.001 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.540 14.037 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.836 15.551 4.635 1.00 0.00 H new ATOM 0 HG LEU A 32 0.053 16.826 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.864 15.709 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.872 15.373 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.331 14.136 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.301 16.101 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.826 14.544 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.615 16.051 4.338 1.00 0.00 H new ATOM 445 N SER A 33 2.761 17.418 2.742 1.00 0.00 N ATOM 446 CA SER A 33 3.364 18.719 3.006 1.00 0.00 C ATOM 447 C SER A 33 2.472 19.557 3.916 1.00 0.00 C ATOM 448 O SER A 33 2.948 20.434 4.636 1.00 0.00 O ATOM 449 CB SER A 33 3.616 19.463 1.693 1.00 0.00 C ATOM 450 OG SER A 33 2.415 20.010 1.178 1.00 0.00 O ATOM 0 H SER A 33 2.168 17.389 1.913 1.00 0.00 H new ATOM 0 HA SER A 33 4.316 18.555 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.341 20.260 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.051 18.781 0.963 1.00 0.00 H new ATOM 0 HG SER A 33 2.603 20.482 0.340 1.00 0.00 H new ATOM 456 N LYS A 34 1.172 19.281 3.877 1.00 0.00 N ATOM 457 CA LYS A 34 0.211 20.008 4.697 1.00 0.00 C ATOM 458 C LYS A 34 -0.871 19.071 5.225 1.00 0.00 C ATOM 459 O LYS A 34 -1.720 18.599 4.469 1.00 0.00 O ATOM 460 CB LYS A 34 -0.429 21.139 3.889 1.00 0.00 C ATOM 461 CG LYS A 34 -1.757 21.613 4.453 1.00 0.00 C ATOM 462 CD LYS A 34 -1.584 22.266 5.814 1.00 0.00 C ATOM 463 CE LYS A 34 -2.650 23.321 6.066 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.311 24.185 7.231 1.00 0.00 N ATOM 0 H LYS A 34 0.761 18.559 3.286 1.00 0.00 H new ATOM 0 HA LYS A 34 0.745 20.434 5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.261 21.982 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.579 20.802 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.214 22.323 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.440 20.767 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.633 21.505 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.596 22.723 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.766 23.940 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.609 22.834 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.062 24.891 7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.225 23.598 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.409 24.670 7.052 1.00 0.00 H new ATOM 478 N ALA A 35 -0.836 18.807 6.527 1.00 0.00 N ATOM 479 CA ALA A 35 -1.816 17.929 7.156 1.00 0.00 C ATOM 480 C ALA A 35 -3.218 18.201 6.622 1.00 0.00 C ATOM 481 O ALA A 35 -3.753 19.298 6.785 1.00 0.00 O ATOM 482 CB ALA A 35 -1.782 18.098 8.667 1.00 0.00 C ATOM 0 H ALA A 35 -0.140 19.189 7.167 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.556 16.899 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.518 17.437 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.789 17.847 9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.014 19.132 8.923 1.00 0.00 H new ATOM 488 N ALA A 36 -3.808 17.196 5.984 1.00 0.00 N ATOM 489 CA ALA A 36 -5.149 17.327 5.428 1.00 0.00 C ATOM 490 C ALA A 36 -5.845 15.973 5.348 1.00 0.00 C ATOM 491 O ALA A 36 -5.208 14.926 5.233 1.00 0.00 O ATOM 492 CB ALA A 36 -5.089 17.973 4.051 1.00 0.00 C ATOM 0 H ALA A 36 -3.379 16.282 5.839 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.730 17.966 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.098 18.065 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.640 18.963 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.487 17.355 3.385 1.00 0.00 H new ATOM 498 N PRO A 37 -7.185 15.990 5.413 1.00 0.00 N ATOM 499 CA PRO A 37 -7.997 14.771 5.350 1.00 0.00 C ATOM 500 C PRO A 37 -7.973 14.130 3.967 1.00 0.00 C ATOM 501 O PRO A 37 -8.825 14.416 3.125 1.00 0.00 O ATOM 502 CB PRO A 37 -9.406 15.265 5.687 1.00 0.00 C ATOM 503 CG PRO A 37 -9.406 16.703 5.296 1.00 0.00 C ATOM 504 CD PRO A 37 -8.011 17.202 5.551 1.00 0.00 C ATOM 0 HA PRO A 37 -7.628 14.000 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.164 14.705 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.625 15.143 6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.677 16.822 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.134 17.266 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.721 17.970 4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.917 17.642 6.544 1.00 0.00 H new ATOM 512 N VAL A 38 -6.994 13.260 3.739 1.00 0.00 N ATOM 513 CA VAL A 38 -6.861 12.577 2.458 1.00 0.00 C ATOM 514 C VAL A 38 -7.933 11.505 2.293 1.00 0.00 C ATOM 515 O VAL A 38 -8.687 11.220 3.223 1.00 0.00 O ATOM 516 CB VAL A 38 -5.473 11.926 2.310 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.375 12.962 2.494 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.312 10.784 3.302 1.00 0.00 C ATOM 0 H VAL A 38 -6.281 13.012 4.425 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.984 13.333 1.682 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.388 11.517 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.402 12.484 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.481 13.743 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.454 13.403 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.326 10.335 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.417 11.166 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.078 10.031 3.117 1.00 0.00 H new ATOM 528 N GLU A 39 -7.994 10.915 1.103 1.00 0.00 N ATOM 529 CA GLU A 39 -8.974 9.874 0.817 1.00 0.00 C ATOM 530 C GLU A 39 -8.365 8.777 -0.051 1.00 0.00 C ATOM 531 O GLU A 39 -7.857 9.043 -1.140 1.00 0.00 O ATOM 532 CB GLU A 39 -10.197 10.472 0.119 1.00 0.00 C ATOM 533 CG GLU A 39 -11.264 9.447 -0.226 1.00 0.00 C ATOM 534 CD GLU A 39 -12.608 10.081 -0.527 1.00 0.00 C ATOM 535 OE1 GLU A 39 -12.762 10.652 -1.627 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.505 10.006 0.338 1.00 0.00 O ATOM 0 H GLU A 39 -7.377 11.140 0.323 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.285 9.433 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.634 11.236 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.875 10.970 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.939 8.867 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.374 8.749 0.604 1.00 0.00 H new ATOM 543 N TRP A 40 -8.421 7.544 0.440 1.00 0.00 N ATOM 544 CA TRP A 40 -7.874 6.406 -0.291 1.00 0.00 C ATOM 545 C TRP A 40 -8.925 5.794 -1.211 1.00 0.00 C ATOM 546 O TRP A 40 -10.107 5.743 -0.872 1.00 0.00 O ATOM 547 CB TRP A 40 -7.356 5.348 0.685 1.00 0.00 C ATOM 548 CG TRP A 40 -6.271 5.853 1.587 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.410 6.724 2.630 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.880 5.519 1.524 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.190 6.951 3.219 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.235 6.223 2.560 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.117 4.692 0.695 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.865 6.124 2.785 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.757 4.595 0.920 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.142 5.308 1.959 1.00 0.00 C ATOM 0 H TRP A 40 -8.839 7.307 1.340 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.046 6.763 -0.903 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.186 4.988 1.293 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.981 4.495 0.120 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.342 7.169 2.945 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.022 7.563 4.018 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.582 4.138 -0.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.389 6.673 3.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.158 3.959 0.285 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.077 5.211 2.110 1.00 0.00 H new ATOM 567 N ARG A 41 -8.486 5.332 -2.378 1.00 0.00 N ATOM 568 CA ARG A 41 -9.390 4.726 -3.348 1.00 0.00 C ATOM 569 C ARG A 41 -8.800 3.434 -3.906 1.00 0.00 C ATOM 570 O ARG A 41 -7.628 3.384 -4.281 1.00 0.00 O ATOM 571 CB ARG A 41 -9.678 5.703 -4.489 1.00 0.00 C ATOM 572 CG ARG A 41 -10.501 6.908 -4.065 1.00 0.00 C ATOM 573 CD ARG A 41 -10.547 7.964 -5.159 1.00 0.00 C ATOM 574 NE ARG A 41 -11.717 8.828 -5.036 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.973 9.840 -5.858 1.00 0.00 C ATOM 576 NH1 ARG A 41 -11.146 10.112 -6.858 1.00 0.00 N ATOM 577 NH2 ARG A 41 -13.059 10.582 -5.682 1.00 0.00 N ATOM 0 H ARG A 41 -7.511 5.366 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.324 4.489 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.733 6.048 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.205 5.175 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.515 6.590 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.076 7.340 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.642 8.570 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.557 7.476 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.374 8.645 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.311 9.544 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.345 10.890 -7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.699 10.376 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.254 11.359 -6.314 1.00 0.00 H new ATOM 591 N LYS A 42 -9.620 2.390 -3.960 1.00 0.00 N ATOM 592 CA LYS A 42 -9.181 1.097 -4.473 1.00 0.00 C ATOM 593 C LYS A 42 -9.912 0.749 -5.766 1.00 0.00 C ATOM 594 O LYS A 42 -10.982 0.143 -5.741 1.00 0.00 O ATOM 595 CB LYS A 42 -9.419 0.003 -3.429 1.00 0.00 C ATOM 596 CG LYS A 42 -9.220 -1.403 -3.966 1.00 0.00 C ATOM 597 CD LYS A 42 -9.910 -2.437 -3.092 1.00 0.00 C ATOM 598 CE LYS A 42 -9.680 -3.848 -3.611 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.536 -4.844 -2.908 1.00 0.00 N ATOM 0 H LYS A 42 -10.593 2.414 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.114 1.161 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.743 0.161 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.434 0.095 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.611 -1.464 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.154 -1.625 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.537 -2.359 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.980 -2.231 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.889 -3.880 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.631 -4.116 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.350 -5.793 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.319 -4.832 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.538 -4.604 -3.051 1.00 0.00 H new ATOM 613 N GLY A 43 -9.325 1.135 -6.895 1.00 0.00 N ATOM 614 CA GLY A 43 -9.934 0.853 -8.181 1.00 0.00 C ATOM 615 C GLY A 43 -11.342 1.405 -8.290 1.00 0.00 C ATOM 616 O GLY A 43 -12.289 0.815 -7.769 1.00 0.00 O ATOM 0 H GLY A 43 -8.439 1.638 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.318 1.279 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.956 -0.225 -8.340 1.00 0.00 H new ATOM 620 N HIS A 44 -11.480 2.540 -8.967 1.00 0.00 N ATOM 621 CA HIS A 44 -12.783 3.172 -9.141 1.00 0.00 C ATOM 622 C HIS A 44 -13.659 2.960 -7.909 1.00 0.00 C ATOM 623 O HIS A 44 -14.845 2.656 -8.025 1.00 0.00 O ATOM 624 CB HIS A 44 -13.483 2.614 -10.380 1.00 0.00 C ATOM 625 CG HIS A 44 -13.665 1.128 -10.347 1.00 0.00 C ATOM 626 ND1 HIS A 44 -12.771 0.123 -10.497 1.00 0.00 N flip ATOM 627 CD2 HIS A 44 -14.887 0.523 -10.141 1.00 0.00 C flip ATOM 628 CE1 HIS A 44 -13.462 -1.058 -10.379 1.00 0.00 C flip ATOM 629 NE2 HIS A 44 -14.737 -0.789 -10.164 1.00 0.00 N flip ATOM 0 H HIS A 44 -10.706 3.041 -9.404 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.625 4.242 -9.273 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -14.459 3.089 -10.481 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.905 2.881 -11.265 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.821 1.041 -9.985 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.032 -2.046 -10.450 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -15.479 -1.477 -10.037 1.00 0.00 H new ATOM 638 N GLU A 45 -13.064 3.123 -6.731 1.00 0.00 N ATOM 639 CA GLU A 45 -13.790 2.948 -5.479 1.00 0.00 C ATOM 640 C GLU A 45 -13.133 3.741 -4.353 1.00 0.00 C ATOM 641 O GLU A 45 -11.925 3.978 -4.368 1.00 0.00 O ATOM 642 CB GLU A 45 -13.854 1.466 -5.104 1.00 0.00 C ATOM 643 CG GLU A 45 -14.790 1.172 -3.944 1.00 0.00 C ATOM 644 CD GLU A 45 -16.237 1.047 -4.378 1.00 0.00 C ATOM 645 OE1 GLU A 45 -16.510 0.273 -5.319 1.00 0.00 O ATOM 646 OE2 GLU A 45 -17.097 1.725 -3.777 1.00 0.00 O ATOM 0 H GLU A 45 -12.082 3.376 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.803 3.324 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.176 0.893 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.852 1.121 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.480 0.247 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.704 1.967 -3.203 1.00 0.00 H new ATOM 653 N THR A 46 -13.938 4.150 -3.377 1.00 0.00 N ATOM 654 CA THR A 46 -13.437 4.918 -2.245 1.00 0.00 C ATOM 655 C THR A 46 -13.363 4.059 -0.988 1.00 0.00 C ATOM 656 O THR A 46 -14.389 3.677 -0.423 1.00 0.00 O ATOM 657 CB THR A 46 -14.322 6.146 -1.962 1.00 0.00 C ATOM 658 OG1 THR A 46 -14.437 6.949 -3.142 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.745 6.980 -0.828 1.00 0.00 C ATOM 0 H THR A 46 -14.940 3.962 -3.348 1.00 0.00 H new ATOM 0 HA THR A 46 -12.435 5.256 -2.511 1.00 0.00 H new ATOM 0 HB THR A 46 -15.310 5.794 -1.665 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.003 7.727 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.387 7.842 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.687 6.374 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.747 7.323 -1.100 1.00 0.00 H new ATOM 667 N LEU A 47 -12.144 3.758 -0.553 1.00 0.00 N ATOM 668 CA LEU A 47 -11.936 2.944 0.639 1.00 0.00 C ATOM 669 C LEU A 47 -12.444 3.663 1.885 1.00 0.00 C ATOM 670 O LEU A 47 -12.349 4.886 1.990 1.00 0.00 O ATOM 671 CB LEU A 47 -10.453 2.608 0.800 1.00 0.00 C ATOM 672 CG LEU A 47 -9.867 1.644 -0.233 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.394 1.391 0.047 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.643 0.335 -0.241 1.00 0.00 C ATOM 0 H LEU A 47 -11.285 4.066 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.500 2.019 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.884 3.537 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.303 2.181 1.792 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.954 2.101 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.995 0.703 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.848 2.333 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.282 0.955 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.212 -0.339 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.588 -0.127 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.685 0.531 -0.492 1.00 0.00 H new ATOM 686 N ARG A 48 -12.981 2.895 2.828 1.00 0.00 N ATOM 687 CA ARG A 48 -13.502 3.459 4.067 1.00 0.00 C ATOM 688 C ARG A 48 -13.243 2.521 5.242 1.00 0.00 C ATOM 689 O ARG A 48 -13.246 1.300 5.087 1.00 0.00 O ATOM 690 CB ARG A 48 -15.002 3.729 3.938 1.00 0.00 C ATOM 691 CG ARG A 48 -15.353 4.690 2.813 1.00 0.00 C ATOM 692 CD ARG A 48 -16.856 4.900 2.709 1.00 0.00 C ATOM 693 NE ARG A 48 -17.490 3.898 1.856 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.800 3.675 1.833 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.609 4.380 2.612 1.00 0.00 N ATOM 696 NH2 ARG A 48 -19.302 2.747 1.029 1.00 0.00 N ATOM 0 H ARG A 48 -13.066 1.881 2.757 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.985 4.400 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.520 2.784 3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.372 4.134 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.862 5.648 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.973 4.301 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.298 4.860 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.057 5.895 2.311 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.895 3.339 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.226 5.095 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.614 4.207 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.682 2.204 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.308 2.577 1.012 1.00 0.00 H new ATOM 710 N ASP A 49 -13.019 3.100 6.417 1.00 0.00 N ATOM 711 CA ASP A 49 -12.759 2.317 7.619 1.00 0.00 C ATOM 712 C ASP A 49 -13.932 1.393 7.930 1.00 0.00 C ATOM 713 O ASP A 49 -15.015 1.849 8.295 1.00 0.00 O ATOM 714 CB ASP A 49 -12.492 3.241 8.808 1.00 0.00 C ATOM 715 CG ASP A 49 -13.769 3.799 9.405 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.375 3.114 10.256 1.00 0.00 O ATOM 717 OD2 ASP A 49 -14.161 4.921 9.023 1.00 0.00 O ATOM 0 H ASP A 49 -13.012 4.110 6.562 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.875 1.705 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.945 2.693 9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.854 4.065 8.488 1.00 0.00 H new ATOM 722 N GLY A 50 -13.709 0.090 7.781 1.00 0.00 N ATOM 723 CA GLY A 50 -14.757 -0.877 8.050 1.00 0.00 C ATOM 724 C GLY A 50 -14.284 -2.016 8.931 1.00 0.00 C ATOM 725 O GLY A 50 -14.040 -1.826 10.123 1.00 0.00 O ATOM 0 H GLY A 50 -12.822 -0.312 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.596 -0.374 8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.125 -1.280 7.107 1.00 0.00 H new ATOM 729 N ASP A 51 -14.155 -3.201 8.346 1.00 0.00 N ATOM 730 CA ASP A 51 -13.708 -4.375 9.086 1.00 0.00 C ATOM 731 C ASP A 51 -12.373 -4.881 8.549 1.00 0.00 C ATOM 732 O ASP A 51 -11.502 -5.296 9.314 1.00 0.00 O ATOM 733 CB ASP A 51 -14.758 -5.485 9.006 1.00 0.00 C ATOM 734 CG ASP A 51 -14.584 -6.526 10.094 1.00 0.00 C ATOM 735 OD1 ASP A 51 -13.455 -6.660 10.612 1.00 0.00 O ATOM 736 OD2 ASP A 51 -15.576 -7.208 10.428 1.00 0.00 O ATOM 0 H ASP A 51 -14.354 -3.374 7.361 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.574 -4.087 10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.753 -5.046 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.697 -5.969 8.031 1.00 0.00 H new ATOM 741 N ARG A 52 -12.220 -4.844 7.229 1.00 0.00 N ATOM 742 CA ARG A 52 -10.992 -5.301 6.590 1.00 0.00 C ATOM 743 C ARG A 52 -10.225 -4.128 5.985 1.00 0.00 C ATOM 744 O ARG A 52 -9.606 -4.256 4.928 1.00 0.00 O ATOM 745 CB ARG A 52 -11.309 -6.330 5.504 1.00 0.00 C ATOM 746 CG ARG A 52 -11.406 -7.755 6.025 1.00 0.00 C ATOM 747 CD ARG A 52 -11.913 -8.707 4.954 1.00 0.00 C ATOM 748 NE ARG A 52 -13.342 -8.537 4.702 1.00 0.00 N ATOM 749 CZ ARG A 52 -14.028 -9.273 3.835 1.00 0.00 C ATOM 750 NH1 ARG A 52 -13.420 -10.224 3.140 1.00 0.00 N ATOM 751 NH2 ARG A 52 -15.326 -9.058 3.662 1.00 0.00 N ATOM 0 H ARG A 52 -12.931 -4.502 6.582 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.368 -5.768 7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.251 -6.062 5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.537 -6.285 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.426 -8.084 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.075 -7.784 6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.360 -8.541 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.719 -9.735 5.261 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.840 -7.813 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.422 -10.392 3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.950 -10.787 2.475 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.797 -8.327 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.852 -9.624 2.996 1.00 0.00 H new ATOM 765 N HIS A 53 -10.272 -2.985 6.662 1.00 0.00 N ATOM 766 CA HIS A 53 -9.581 -1.789 6.191 1.00 0.00 C ATOM 767 C HIS A 53 -9.390 -0.790 7.328 1.00 0.00 C ATOM 768 O HIS A 53 -10.234 -0.676 8.217 1.00 0.00 O ATOM 769 CB HIS A 53 -10.365 -1.138 5.051 1.00 0.00 C ATOM 770 CG HIS A 53 -10.322 -1.919 3.773 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.341 -2.754 3.367 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.375 -1.986 2.808 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.022 -3.302 2.208 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.834 -2.852 1.847 1.00 0.00 N ATOM 0 H HIS A 53 -10.781 -2.861 7.537 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.599 -2.087 5.823 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.404 -1.016 5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.967 -0.139 4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.434 -1.457 2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.630 -3.999 1.650 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.338 -3.107 0.993 1.00 0.00 H new ATOM 783 N SER A 54 -8.275 -0.067 7.293 1.00 0.00 N ATOM 784 CA SER A 54 -7.970 0.919 8.323 1.00 0.00 C ATOM 785 C SER A 54 -7.469 2.218 7.699 1.00 0.00 C ATOM 786 O SER A 54 -6.293 2.342 7.353 1.00 0.00 O ATOM 787 CB SER A 54 -6.923 0.369 9.293 1.00 0.00 C ATOM 788 OG SER A 54 -7.303 -0.905 9.784 1.00 0.00 O ATOM 0 H SER A 54 -7.568 -0.146 6.562 1.00 0.00 H new ATOM 0 HA SER A 54 -8.888 1.130 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.959 0.296 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.796 1.060 10.126 1.00 0.00 H new ATOM 0 HG SER A 54 -6.617 -1.236 10.401 1.00 0.00 H new ATOM 794 N LEU A 55 -8.369 3.185 7.558 1.00 0.00 N ATOM 795 CA LEU A 55 -8.020 4.476 6.976 1.00 0.00 C ATOM 796 C LEU A 55 -7.930 5.553 8.053 1.00 0.00 C ATOM 797 O LEU A 55 -8.944 5.970 8.613 1.00 0.00 O ATOM 798 CB LEU A 55 -9.053 4.879 5.921 1.00 0.00 C ATOM 799 CG LEU A 55 -9.073 4.035 4.646 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.026 2.860 4.799 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.464 4.889 3.448 1.00 0.00 C ATOM 0 H LEU A 55 -9.346 3.099 7.839 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.043 4.380 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.043 4.838 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.873 5.917 5.643 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.070 3.643 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.027 2.271 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.703 2.235 5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.032 3.231 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.473 4.272 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.456 5.310 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.743 5.697 3.326 1.00 0.00 H new ATOM 813 N ARG A 56 -6.711 5.999 8.336 1.00 0.00 N ATOM 814 CA ARG A 56 -6.489 7.028 9.345 1.00 0.00 C ATOM 815 C ARG A 56 -5.180 7.769 9.087 1.00 0.00 C ATOM 816 O ARG A 56 -4.142 7.150 8.853 1.00 0.00 O ATOM 817 CB ARG A 56 -6.469 6.406 10.742 1.00 0.00 C ATOM 818 CG ARG A 56 -5.407 5.331 10.915 1.00 0.00 C ATOM 819 CD ARG A 56 -5.349 4.832 12.350 1.00 0.00 C ATOM 820 NE ARG A 56 -4.944 5.884 13.280 1.00 0.00 N ATOM 821 CZ ARG A 56 -5.247 5.878 14.573 1.00 0.00 C ATOM 822 NH1 ARG A 56 -5.953 4.881 15.087 1.00 0.00 N ATOM 823 NH2 ARG A 56 -4.842 6.871 15.355 1.00 0.00 N ATOM 0 H ARG A 56 -5.862 5.664 7.881 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.309 7.743 9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.301 7.192 11.478 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.448 5.975 10.953 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.620 4.497 10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.434 5.729 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.327 4.449 12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.648 4.000 12.416 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.399 6.666 12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.265 4.116 14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.184 4.879 16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.298 7.639 14.963 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.075 6.866 16.348 1.00 0.00 H new ATOM 837 N GLN A 57 -5.239 9.096 9.131 1.00 0.00 N ATOM 838 CA GLN A 57 -4.058 9.920 8.901 1.00 0.00 C ATOM 839 C GLN A 57 -3.804 10.849 10.083 1.00 0.00 C ATOM 840 O GLN A 57 -4.737 11.426 10.643 1.00 0.00 O ATOM 841 CB GLN A 57 -4.224 10.739 7.620 1.00 0.00 C ATOM 842 CG GLN A 57 -4.879 12.092 7.843 1.00 0.00 C ATOM 843 CD GLN A 57 -3.871 13.190 8.120 1.00 0.00 C ATOM 844 OE1 GLN A 57 -3.532 13.461 9.272 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.385 13.829 7.062 1.00 0.00 N ATOM 0 H GLN A 57 -6.091 9.623 9.324 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.199 9.258 8.792 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.245 10.889 7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.821 10.168 6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.466 12.356 6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.573 12.022 8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.694 13.572 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.703 14.577 7.187 1.00 0.00 H new ATOM 854 N ASP A 58 -2.537 10.990 10.458 1.00 0.00 N ATOM 855 CA ASP A 58 -2.161 11.850 11.574 1.00 0.00 C ATOM 856 C ASP A 58 -1.278 13.000 11.099 1.00 0.00 C ATOM 857 O ASP A 58 -0.126 12.796 10.719 1.00 0.00 O ATOM 858 CB ASP A 58 -1.431 11.040 12.646 1.00 0.00 C ATOM 859 CG ASP A 58 -2.375 10.486 13.696 1.00 0.00 C ATOM 860 OD1 ASP A 58 -3.296 9.728 13.326 1.00 0.00 O ATOM 861 OD2 ASP A 58 -2.192 10.811 14.888 1.00 0.00 O ATOM 0 H ASP A 58 -1.753 10.520 10.005 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.072 12.267 12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.895 10.217 12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.685 11.671 13.129 1.00 0.00 H new ATOM 866 N GLY A 59 -1.828 14.210 11.124 1.00 0.00 N ATOM 867 CA GLY A 59 -1.077 15.375 10.693 1.00 0.00 C ATOM 868 C GLY A 59 -0.663 15.292 9.237 1.00 0.00 C ATOM 869 O GLY A 59 -1.511 15.229 8.346 1.00 0.00 O ATOM 0 H GLY A 59 -2.780 14.404 11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.681 16.270 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.188 15.481 11.315 1.00 0.00 H new ATOM 873 N SER A 60 0.644 15.292 8.994 1.00 0.00 N ATOM 874 CA SER A 60 1.168 15.222 7.635 1.00 0.00 C ATOM 875 C SER A 60 1.645 13.810 7.309 1.00 0.00 C ATOM 876 O SER A 60 2.700 13.623 6.702 1.00 0.00 O ATOM 877 CB SER A 60 2.319 16.214 7.458 1.00 0.00 C ATOM 878 OG SER A 60 1.969 17.495 7.953 1.00 0.00 O ATOM 0 H SER A 60 1.359 15.340 9.720 1.00 0.00 H new ATOM 0 HA SER A 60 0.363 15.483 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.203 15.848 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.581 16.288 6.402 1.00 0.00 H new ATOM 0 HG SER A 60 2.722 18.110 7.830 1.00 0.00 H new ATOM 884 N ARG A 61 0.860 12.818 7.718 1.00 0.00 N ATOM 885 CA ARG A 61 1.202 11.422 7.472 1.00 0.00 C ATOM 886 C ARG A 61 -0.056 10.562 7.384 1.00 0.00 C ATOM 887 O ARG A 61 -0.840 10.493 8.332 1.00 0.00 O ATOM 888 CB ARG A 61 2.117 10.896 8.579 1.00 0.00 C ATOM 889 CG ARG A 61 2.963 9.706 8.156 1.00 0.00 C ATOM 890 CD ARG A 61 3.411 8.887 9.356 1.00 0.00 C ATOM 891 NE ARG A 61 3.711 7.504 8.993 1.00 0.00 N ATOM 892 CZ ARG A 61 4.857 7.121 8.440 1.00 0.00 C ATOM 893 NH1 ARG A 61 5.805 8.012 8.188 1.00 0.00 N ATOM 894 NH2 ARG A 61 5.055 5.844 8.139 1.00 0.00 N ATOM 0 H ARG A 61 -0.017 12.955 8.221 1.00 0.00 H new ATOM 0 HA ARG A 61 1.728 11.365 6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.775 11.700 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.508 10.612 9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.391 9.075 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.837 10.056 7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.295 9.346 9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.630 8.901 10.117 1.00 0.00 H new ATOM 0 HE ARG A 61 3.002 6.793 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.656 8.994 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.684 7.715 7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.327 5.156 8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.935 5.551 7.715 1.00 0.00 H new ATOM 908 N CYS A 62 -0.241 9.910 6.242 1.00 0.00 N ATOM 909 CA CYS A 62 -1.404 9.055 6.030 1.00 0.00 C ATOM 910 C CYS A 62 -1.011 7.582 6.073 1.00 0.00 C ATOM 911 O CYS A 62 0.068 7.205 5.617 1.00 0.00 O ATOM 912 CB CYS A 62 -2.065 9.381 4.690 1.00 0.00 C ATOM 913 SG CYS A 62 -2.195 11.150 4.342 1.00 0.00 S ATOM 0 H CYS A 62 0.399 9.957 5.449 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.116 9.245 6.833 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.496 8.905 3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.063 8.944 4.674 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.545 11.426 3.250 1.00 0.00 H new ATOM 919 N GLU A 63 -1.894 6.755 6.624 1.00 0.00 N ATOM 920 CA GLU A 63 -1.638 5.323 6.728 1.00 0.00 C ATOM 921 C GLU A 63 -2.876 4.519 6.343 1.00 0.00 C ATOM 922 O GLU A 63 -3.982 4.802 6.806 1.00 0.00 O ATOM 923 CB GLU A 63 -1.203 4.963 8.150 1.00 0.00 C ATOM 924 CG GLU A 63 -0.360 3.701 8.227 1.00 0.00 C ATOM 925 CD GLU A 63 -1.197 2.451 8.423 1.00 0.00 C ATOM 926 OE1 GLU A 63 -1.889 2.045 7.466 1.00 0.00 O ATOM 927 OE2 GLU A 63 -1.160 1.880 9.533 1.00 0.00 O ATOM 0 H GLU A 63 -2.792 7.052 7.005 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.835 5.072 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.636 5.795 8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.090 4.836 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.224 3.603 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.349 3.792 9.050 1.00 0.00 H new ATOM 934 N LEU A 64 -2.683 3.517 5.493 1.00 0.00 N ATOM 935 CA LEU A 64 -3.783 2.671 5.045 1.00 0.00 C ATOM 936 C LEU A 64 -3.465 1.197 5.274 1.00 0.00 C ATOM 937 O LEU A 64 -2.332 0.759 5.078 1.00 0.00 O ATOM 938 CB LEU A 64 -4.071 2.917 3.563 1.00 0.00 C ATOM 939 CG LEU A 64 -4.929 1.864 2.861 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.355 1.898 3.388 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.909 2.077 1.355 1.00 0.00 C ATOM 0 H LEU A 64 -1.775 3.270 5.100 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.667 2.928 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.566 3.883 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.120 2.991 3.036 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.509 0.881 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.950 1.142 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.352 1.694 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.786 2.883 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.525 1.318 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.303 3.066 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.885 1.999 0.990 1.00 0.00 H new ATOM 953 N GLN A 65 -4.474 0.436 5.688 1.00 0.00 N ATOM 954 CA GLN A 65 -4.302 -0.989 5.942 1.00 0.00 C ATOM 955 C GLN A 65 -5.402 -1.800 5.267 1.00 0.00 C ATOM 956 O GLN A 65 -6.562 -1.387 5.238 1.00 0.00 O ATOM 957 CB GLN A 65 -4.300 -1.264 7.447 1.00 0.00 C ATOM 958 CG GLN A 65 -3.588 -2.551 7.830 1.00 0.00 C ATOM 959 CD GLN A 65 -3.204 -2.592 9.296 1.00 0.00 C ATOM 960 OE1 GLN A 65 -3.582 -3.511 10.023 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.448 -1.593 9.738 1.00 0.00 N ATOM 0 H GLN A 65 -5.419 0.783 5.854 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.343 -1.293 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.823 -0.429 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.330 -1.309 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.233 -3.400 7.604 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.691 -2.661 7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.158 -0.852 9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.158 -1.567 10.715 1.00 0.00 H new ATOM 970 N ILE A 66 -5.031 -2.954 4.723 1.00 0.00 N ATOM 971 CA ILE A 66 -5.988 -3.822 4.048 1.00 0.00 C ATOM 972 C ILE A 66 -5.990 -5.219 4.660 1.00 0.00 C ATOM 973 O ILE A 66 -5.417 -6.154 4.100 1.00 0.00 O ATOM 974 CB ILE A 66 -5.682 -3.934 2.543 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.733 -2.553 1.886 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.664 -4.882 1.872 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.208 -2.539 0.467 1.00 0.00 C ATOM 0 H ILE A 66 -4.075 -3.309 4.736 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.971 -3.369 4.178 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.677 -4.337 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.763 -2.197 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.153 -1.852 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.435 -4.951 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.583 -5.870 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.679 -4.506 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.274 -1.528 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.168 -2.864 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.803 -3.214 -0.148 1.00 0.00 H new ATOM 989 N ARG A 67 -6.639 -5.353 5.812 1.00 0.00 N ATOM 990 CA ARG A 67 -6.716 -6.636 6.501 1.00 0.00 C ATOM 991 C ARG A 67 -6.896 -7.778 5.504 1.00 0.00 C ATOM 992 O ARG A 67 -7.514 -7.607 4.454 1.00 0.00 O ATOM 993 CB ARG A 67 -7.872 -6.633 7.503 1.00 0.00 C ATOM 994 CG ARG A 67 -7.623 -7.504 8.723 1.00 0.00 C ATOM 995 CD ARG A 67 -8.922 -8.060 9.285 1.00 0.00 C ATOM 996 NE ARG A 67 -8.710 -8.793 10.530 1.00 0.00 N ATOM 997 CZ ARG A 67 -8.571 -8.207 11.714 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.622 -6.886 11.813 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.381 -8.942 12.802 1.00 0.00 N ATOM 0 H ARG A 67 -7.119 -4.589 6.288 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.780 -6.788 7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.056 -5.609 7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.777 -6.975 7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.960 -8.326 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.114 -6.921 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.621 -7.242 9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.382 -8.720 8.550 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.666 -9.811 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.768 -6.317 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.515 -6.438 12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.341 -9.959 12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.274 -8.490 13.710 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.351 -8.943 5.842 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.462 -10.095 4.966 1.00 0.00 C ATOM 1015 C GLY A 68 -6.306 -9.729 3.504 1.00 0.00 C ATOM 1016 O GLY A 68 -7.290 -9.652 2.767 1.00 0.00 O ATOM 0 H GLY A 68 -5.835 -9.109 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.702 -10.828 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.431 -10.570 5.117 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.068 -9.501 3.081 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.786 -9.138 1.696 1.00 0.00 C ATOM 1022 C LEU A 69 -5.484 -10.092 0.732 1.00 0.00 C ATOM 1023 O LEU A 69 -6.069 -11.092 1.146 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.278 -9.151 1.442 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.544 -7.832 1.691 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.072 -8.086 1.975 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.706 -6.899 0.500 1.00 0.00 C ATOM 0 H LEU A 69 -4.243 -9.561 3.677 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.168 -8.132 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.830 -9.918 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.106 -9.450 0.408 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.984 -7.353 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.566 -7.136 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.975 -8.717 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.618 -8.587 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.178 -5.966 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.292 -7.371 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.764 -6.691 0.342 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.416 -9.776 -0.558 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.037 -10.606 -1.582 1.00 0.00 C ATOM 1041 C ALA A 70 -5.460 -10.302 -2.960 1.00 0.00 C ATOM 1042 O ALA A 70 -5.231 -9.142 -3.306 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.545 -10.404 -1.582 1.00 0.00 C ATOM 0 H ALA A 70 -4.937 -8.951 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.821 -11.649 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.996 -11.030 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.949 -10.679 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.772 -9.358 -1.786 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.228 -11.349 -3.744 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.678 -11.193 -5.086 1.00 0.00 C ATOM 1051 C VAL A 71 -5.358 -10.049 -5.828 1.00 0.00 C ATOM 1052 O VAL A 71 -4.731 -9.353 -6.627 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.830 -12.487 -5.908 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.281 -12.294 -7.314 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.135 -13.646 -5.210 1.00 0.00 C ATOM 0 H VAL A 71 -5.412 -12.315 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.618 -10.967 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.891 -12.724 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.397 -13.218 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.828 -11.493 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.224 -12.032 -7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.252 -14.552 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.075 -13.420 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.579 -13.797 -4.226 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.646 -9.858 -5.559 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.412 -8.796 -6.201 1.00 0.00 C ATOM 1067 C VAL A 72 -6.927 -7.422 -5.754 1.00 0.00 C ATOM 1068 O VAL A 72 -6.784 -6.508 -6.567 1.00 0.00 O ATOM 1069 CB VAL A 72 -8.915 -8.924 -5.892 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.475 -10.209 -6.481 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.157 -8.866 -4.391 1.00 0.00 C ATOM 0 H VAL A 72 -7.181 -10.425 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.259 -8.900 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.435 -8.085 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.538 -10.281 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.336 -10.204 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.953 -11.064 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.224 -8.958 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.625 -9.684 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.795 -7.915 -4.001 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.675 -7.282 -4.457 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.204 -6.019 -3.901 1.00 0.00 C ATOM 1083 C ASP A 73 -5.008 -5.491 -4.689 1.00 0.00 C ATOM 1084 O ASP A 73 -4.888 -4.289 -4.921 1.00 0.00 O ATOM 1085 CB ASP A 73 -5.824 -6.195 -2.430 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.017 -6.062 -1.504 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -7.311 -4.927 -1.074 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.657 -7.093 -1.211 1.00 0.00 O ATOM 0 H ASP A 73 -6.789 -8.028 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.014 -5.293 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.367 -7.175 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.074 -5.452 -2.160 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.127 -6.399 -5.095 1.00 0.00 N ATOM 1094 CA ALA A 74 -2.942 -6.024 -5.857 1.00 0.00 C ATOM 1095 C ALA A 74 -3.323 -5.431 -7.209 1.00 0.00 C ATOM 1096 O ALA A 74 -3.654 -6.157 -8.146 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.033 -7.230 -6.045 1.00 0.00 C ATOM 0 H ALA A 74 -4.211 -7.398 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.405 -5.261 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.152 -6.936 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.725 -7.609 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.571 -8.010 -6.584 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.275 -4.105 -7.303 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.619 -3.437 -8.545 1.00 0.00 C ATOM 1105 C GLY A 75 -3.092 -2.017 -8.604 1.00 0.00 C ATOM 1106 O GLY A 75 -1.960 -1.786 -9.029 1.00 0.00 O ATOM 0 H GLY A 75 -3.004 -3.482 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.217 -4.006 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.703 -3.424 -8.659 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.915 -1.064 -8.179 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.526 0.341 -8.188 1.00 0.00 C ATOM 1112 C GLU A 76 -4.262 1.117 -7.100 1.00 0.00 C ATOM 1113 O GLU A 76 -5.479 1.291 -7.161 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.812 0.964 -9.556 1.00 0.00 C ATOM 1115 CG GLU A 76 -3.397 2.421 -9.661 1.00 0.00 C ATOM 1116 CD GLU A 76 -3.025 2.822 -11.075 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -2.358 2.020 -11.762 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -3.400 3.937 -11.495 1.00 0.00 O ATOM 0 H GLU A 76 -4.855 -1.239 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.456 0.396 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.291 0.391 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.878 0.883 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.213 3.053 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.548 2.601 -9.001 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.515 1.581 -6.104 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.096 2.335 -5.000 1.00 0.00 C ATOM 1127 C TYR A 77 -3.705 3.808 -5.081 1.00 0.00 C ATOM 1128 O TYR A 77 -2.523 4.151 -5.053 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.644 1.750 -3.661 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.230 0.387 -3.367 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -5.455 0.261 -2.722 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -3.560 -0.773 -3.733 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -5.994 -0.982 -2.451 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -4.092 -2.020 -3.467 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.310 -2.119 -2.826 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.843 -3.359 -2.558 1.00 0.00 O ATOM 0 H TYR A 77 -2.506 1.448 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.181 2.260 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.556 1.678 -3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.923 2.436 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.994 1.149 -2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.606 -0.699 -4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.946 -1.063 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.558 -2.912 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.671 -3.255 -2.045 1.00 0.00 H new ATOM 1146 N SER A 78 -4.708 4.674 -5.183 1.00 0.00 N ATOM 1147 CA SER A 78 -4.471 6.111 -5.272 1.00 0.00 C ATOM 1148 C SER A 78 -4.952 6.820 -4.009 1.00 0.00 C ATOM 1149 O SER A 78 -5.835 6.328 -3.306 1.00 0.00 O ATOM 1150 CB SER A 78 -5.179 6.691 -6.497 1.00 0.00 C ATOM 1151 OG SER A 78 -4.926 5.908 -7.651 1.00 0.00 O ATOM 0 H SER A 78 -5.692 4.406 -5.206 1.00 0.00 H new ATOM 0 HA SER A 78 -3.398 6.272 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.252 6.737 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.841 7.713 -6.666 1.00 0.00 H new ATOM 0 HG SER A 78 -5.391 6.299 -8.420 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.364 7.977 -3.729 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.731 8.755 -2.550 1.00 0.00 C ATOM 1159 C CYS A 79 -4.907 10.228 -2.905 1.00 0.00 C ATOM 1160 O CYS A 79 -3.941 10.920 -3.229 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.667 8.604 -1.462 1.00 0.00 C ATOM 1162 SG CYS A 79 -4.298 8.808 0.220 1.00 0.00 S ATOM 0 H CYS A 79 -3.632 8.398 -4.301 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.681 8.374 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.210 7.618 -1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.879 9.337 -1.635 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.327 7.653 0.816 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.147 10.703 -2.842 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.450 12.094 -3.157 1.00 0.00 C ATOM 1170 C VAL A 80 -6.476 12.949 -1.895 1.00 0.00 C ATOM 1171 O VAL A 80 -7.451 12.934 -1.143 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.804 12.223 -3.880 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.882 13.540 -4.636 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -8.021 11.046 -4.819 1.00 0.00 C ATOM 0 H VAL A 80 -6.958 10.145 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.659 12.450 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.598 12.213 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.845 13.613 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.775 14.368 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.082 13.584 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.982 11.154 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.224 11.022 -5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.012 10.118 -4.247 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.400 13.695 -1.671 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.299 14.558 -0.500 1.00 0.00 C ATOM 1186 C CYS A 81 -6.200 15.781 -0.646 1.00 0.00 C ATOM 1187 O CYS A 81 -6.749 16.281 0.335 1.00 0.00 O ATOM 1188 CB CYS A 81 -3.850 14.999 -0.289 1.00 0.00 C ATOM 1189 SG CYS A 81 -3.645 16.286 0.965 1.00 0.00 S ATOM 0 H CYS A 81 -4.586 13.720 -2.285 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.628 13.989 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.255 14.131 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.451 15.362 -1.236 1.00 0.00 H new ATOM 0 HG CYS A 81 -4.813 16.687 1.371 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.345 16.259 -1.878 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.178 17.420 -2.130 1.00 0.00 C ATOM 1197 C GLY A 82 -6.829 18.112 -3.433 1.00 0.00 C ATOM 1198 O GLY A 82 -7.614 18.095 -4.380 1.00 0.00 O ATOM 0 H GLY A 82 -5.900 15.863 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.224 17.115 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.070 18.126 -1.307 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.650 18.723 -3.480 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.202 19.426 -4.676 1.00 0.00 C ATOM 1204 C GLN A 83 -4.247 18.560 -5.490 1.00 0.00 C ATOM 1205 O GLN A 83 -4.177 18.678 -6.713 1.00 0.00 O ATOM 1206 CB GLN A 83 -4.518 20.740 -4.295 1.00 0.00 C ATOM 1207 CG GLN A 83 -4.064 21.560 -5.492 1.00 0.00 C ATOM 1208 CD GLN A 83 -5.175 22.418 -6.066 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -5.419 23.531 -5.598 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -5.854 21.905 -7.084 1.00 0.00 N ATOM 0 H GLN A 83 -4.988 18.745 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.077 19.644 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.205 21.337 -3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.655 20.521 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.232 22.199 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.690 20.890 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.618 20.979 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.612 22.437 -7.511 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.513 17.689 -4.804 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.561 16.804 -5.465 1.00 0.00 C ATOM 1221 C GLU A 84 -2.814 15.349 -5.080 1.00 0.00 C ATOM 1222 O GLU A 84 -2.829 15.001 -3.900 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.128 17.197 -5.101 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.779 18.630 -5.467 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.274 18.762 -6.891 1.00 0.00 C ATOM 1226 OE1 GLU A 84 0.527 17.904 -7.318 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -0.681 19.722 -7.578 1.00 0.00 O ATOM 0 H GLU A 84 -3.560 17.578 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.696 16.906 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.983 17.059 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.436 16.523 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.660 19.259 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.019 19.002 -4.780 1.00 0.00 H new ATOM 1234 N ARG A 85 -3.014 14.504 -6.086 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.269 13.087 -5.855 1.00 0.00 C ATOM 1236 C ARG A 85 -2.201 12.226 -6.525 1.00 0.00 C ATOM 1237 O ARG A 85 -1.732 12.540 -7.619 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.653 12.703 -6.381 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.867 11.202 -6.492 1.00 0.00 C ATOM 1240 CD ARG A 85 -4.469 10.683 -7.864 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.586 10.707 -8.804 1.00 0.00 N ATOM 1242 CZ ARG A 85 -5.476 10.372 -10.085 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -4.306 9.989 -10.576 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -6.539 10.420 -10.878 1.00 0.00 N ATOM 0 H ARG A 85 -3.004 14.776 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.234 12.908 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.412 13.122 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.798 13.156 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.283 10.692 -5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.915 10.968 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.652 11.288 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.095 9.663 -7.771 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.501 10.997 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.486 9.951 -9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.225 9.732 -11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.441 10.714 -10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.454 10.163 -11.861 1.00 0.00 H new ATOM 1258 N THR A 86 -1.821 11.140 -5.860 1.00 0.00 N ATOM 1259 CA THR A 86 -0.809 10.235 -6.389 1.00 0.00 C ATOM 1260 C THR A 86 -1.387 8.845 -6.633 1.00 0.00 C ATOM 1261 O THR A 86 -2.561 8.595 -6.363 1.00 0.00 O ATOM 1262 CB THR A 86 0.394 10.118 -5.434 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.463 9.413 -6.077 1.00 0.00 O ATOM 1264 CG2 THR A 86 0.001 9.395 -4.154 1.00 0.00 C ATOM 0 H THR A 86 -2.199 10.866 -4.953 1.00 0.00 H new ATOM 0 HA THR A 86 -0.472 10.657 -7.336 1.00 0.00 H new ATOM 0 HB THR A 86 0.725 11.124 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.225 9.344 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.867 9.325 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.792 9.949 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.353 8.393 -4.396 1.00 0.00 H new ATOM 1272 N SER A 87 -0.554 7.945 -7.145 1.00 0.00 N ATOM 1273 CA SER A 87 -0.983 6.580 -7.428 1.00 0.00 C ATOM 1274 C SER A 87 0.179 5.603 -7.282 1.00 0.00 C ATOM 1275 O SER A 87 1.344 5.987 -7.384 1.00 0.00 O ATOM 1276 CB SER A 87 -1.566 6.489 -8.840 1.00 0.00 C ATOM 1277 OG SER A 87 -0.762 7.195 -9.770 1.00 0.00 O ATOM 0 H SER A 87 0.422 8.136 -7.372 1.00 0.00 H new ATOM 0 HA SER A 87 -1.754 6.311 -6.706 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.641 5.444 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.577 6.896 -8.846 1.00 0.00 H new ATOM 0 HG SER A 87 -1.155 7.120 -10.665 1.00 0.00 H new ATOM 1283 N ALA A 88 -0.147 4.337 -7.041 1.00 0.00 N ATOM 1284 CA ALA A 88 0.868 3.304 -6.882 1.00 0.00 C ATOM 1285 C ALA A 88 0.291 1.920 -7.157 1.00 0.00 C ATOM 1286 O ALA A 88 -0.924 1.722 -7.114 1.00 0.00 O ATOM 1287 CB ALA A 88 1.465 3.361 -5.484 1.00 0.00 C ATOM 0 H ALA A 88 -1.107 4.003 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 88 1.658 3.491 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.222 2.584 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.923 4.337 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.679 3.203 -4.746 1.00 0.00 H new ATOM 1293 N THR A 89 1.169 0.962 -7.440 1.00 0.00 N ATOM 1294 CA THR A 89 0.746 -0.403 -7.724 1.00 0.00 C ATOM 1295 C THR A 89 1.064 -1.331 -6.557 1.00 0.00 C ATOM 1296 O THR A 89 2.155 -1.277 -5.987 1.00 0.00 O ATOM 1297 CB THR A 89 1.421 -0.948 -8.996 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.210 -0.045 -10.088 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.874 -2.321 -9.354 1.00 0.00 C ATOM 0 H THR A 89 2.178 1.107 -7.478 1.00 0.00 H new ATOM 0 HA THR A 89 -0.333 -0.373 -7.878 1.00 0.00 H new ATOM 0 HB THR A 89 2.490 -1.040 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.644 -0.398 -10.893 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.366 -2.685 -10.256 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.063 -3.013 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.199 -2.251 -9.530 1.00 0.00 H new ATOM 1307 N LEU A 90 0.106 -2.182 -6.205 1.00 0.00 N ATOM 1308 CA LEU A 90 0.285 -3.123 -5.106 1.00 0.00 C ATOM 1309 C LEU A 90 0.353 -4.557 -5.622 1.00 0.00 C ATOM 1310 O LEU A 90 -0.428 -4.955 -6.487 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.859 -2.985 -4.099 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.754 -3.847 -2.841 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -1.428 -3.159 -1.664 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.367 -5.219 -3.082 1.00 0.00 C ATOM 0 H LEU A 90 -0.802 -2.239 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 90 1.227 -2.890 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.924 -1.940 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.793 -3.229 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 90 0.301 -3.979 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.343 -3.788 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.944 -2.201 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.481 -2.995 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.283 -5.819 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.418 -5.106 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.839 -5.716 -3.896 1.00 0.00 H new ATOM 1326 N THR A 91 1.290 -5.330 -5.083 1.00 0.00 N ATOM 1327 CA THR A 91 1.460 -6.720 -5.488 1.00 0.00 C ATOM 1328 C THR A 91 1.165 -7.669 -4.332 1.00 0.00 C ATOM 1329 O THR A 91 1.531 -7.402 -3.187 1.00 0.00 O ATOM 1330 CB THR A 91 2.887 -6.985 -6.003 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.195 -6.088 -7.076 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.032 -8.422 -6.480 1.00 0.00 C ATOM 0 H THR A 91 1.943 -5.017 -4.365 1.00 0.00 H new ATOM 0 HA THR A 91 0.751 -6.903 -6.295 1.00 0.00 H new ATOM 0 HB THR A 91 3.583 -6.820 -5.180 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.105 -6.262 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.048 -8.585 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.825 -9.102 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.327 -8.610 -7.289 1.00 0.00 H new ATOM 1340 N VAL A 92 0.502 -8.780 -4.639 1.00 0.00 N ATOM 1341 CA VAL A 92 0.159 -9.770 -3.625 1.00 0.00 C ATOM 1342 C VAL A 92 0.509 -11.179 -4.093 1.00 0.00 C ATOM 1343 O VAL A 92 -0.105 -11.706 -5.021 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.339 -9.716 -3.271 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.674 -10.749 -2.206 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.726 -8.319 -2.810 1.00 0.00 C ATOM 0 H VAL A 92 0.192 -9.017 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 92 0.743 -9.529 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.915 -9.952 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.737 -10.696 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.435 -11.745 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.091 -10.547 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.788 -8.298 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.144 -8.053 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.524 -7.604 -3.607 1.00 0.00 H new ATOM 1356 N ARG A 93 1.498 -11.783 -3.443 1.00 0.00 N ATOM 1357 CA ARG A 93 1.930 -13.131 -3.793 1.00 0.00 C ATOM 1358 C ARG A 93 0.990 -14.175 -3.198 1.00 0.00 C ATOM 1359 O ARG A 93 1.025 -14.445 -1.998 1.00 0.00 O ATOM 1360 CB ARG A 93 3.358 -13.376 -3.301 1.00 0.00 C ATOM 1361 CG ARG A 93 4.379 -12.418 -3.893 1.00 0.00 C ATOM 1362 CD ARG A 93 5.795 -12.951 -3.743 1.00 0.00 C ATOM 1363 NE ARG A 93 6.018 -14.147 -4.552 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.243 -14.118 -5.860 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.276 -12.960 -6.505 1.00 0.00 N ATOM 1366 NH2 ARG A 93 6.437 -15.249 -6.527 1.00 0.00 N ATOM 0 H ARG A 93 2.015 -11.361 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 93 1.906 -13.222 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.379 -13.290 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.647 -14.398 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.159 -12.257 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.299 -11.449 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.506 -12.178 -4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.987 -13.181 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 93 6.000 -15.054 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.128 -12.088 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.449 -12.941 -7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.413 -16.142 -6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.610 -15.225 -7.532 1.00 0.00 H new ATOM 1380 N ALA A 94 0.149 -14.758 -4.047 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.799 -15.773 -3.606 1.00 0.00 C ATOM 1382 C ALA A 94 -0.117 -16.821 -2.733 1.00 0.00 C ATOM 1383 O ALA A 94 0.941 -17.344 -3.086 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.461 -16.434 -4.806 1.00 0.00 C ATOM 0 H ALA A 94 0.105 -14.544 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.565 -15.282 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.167 -17.190 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.992 -15.681 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.700 -16.905 -5.428 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.726 -17.122 -1.592 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.177 -18.107 -0.667 1.00 0.00 C ATOM 1392 C LEU A 95 -0.173 -19.498 -1.292 1.00 0.00 C ATOM 1393 O LEU A 95 -0.978 -19.814 -2.168 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.984 -18.122 0.633 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.776 -16.928 1.565 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.997 -16.721 2.447 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.471 -17.126 2.416 1.00 0.00 C ATOM 0 H LEU A 95 -1.601 -16.698 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 95 0.852 -17.825 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.043 -18.180 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.737 -19.032 1.180 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.638 -16.035 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.831 -15.867 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.870 -16.534 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.167 -17.614 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.603 -16.266 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.362 -18.029 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.342 -17.225 1.768 1.00 0.00 H new ATOM 1409 N PRO A 96 0.754 -20.352 -0.832 1.00 0.00 N ATOM 1410 CA PRO A 96 0.883 -21.724 -1.330 1.00 0.00 C ATOM 1411 C PRO A 96 -0.284 -22.608 -0.904 1.00 0.00 C ATOM 1412 O PRO A 96 -1.134 -22.193 -0.117 1.00 0.00 O ATOM 1413 CB PRO A 96 2.186 -22.212 -0.691 1.00 0.00 C ATOM 1414 CG PRO A 96 2.337 -21.386 0.539 1.00 0.00 C ATOM 1415 CD PRO A 96 1.747 -20.042 0.211 1.00 0.00 C ATOM 0 HA PRO A 96 0.886 -21.764 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.136 -23.274 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.032 -22.077 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.820 -21.844 1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.386 -21.293 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.283 -19.583 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.505 -19.347 -0.150 1.00 0.00 H new ATOM 1423 N ALA A 97 -0.318 -23.829 -1.428 1.00 0.00 N ATOM 1424 CA ALA A 97 -1.379 -24.772 -1.099 1.00 0.00 C ATOM 1425 C ALA A 97 -0.810 -26.045 -0.482 1.00 0.00 C ATOM 1426 O ALA A 97 0.251 -26.521 -0.885 1.00 0.00 O ATOM 1427 CB ALA A 97 -2.194 -25.103 -2.341 1.00 0.00 C ATOM 0 H ALA A 97 0.377 -24.188 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.033 -24.304 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.983 -25.808 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.639 -24.191 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.544 -25.547 -3.095 1.00 0.00 H new ATOM 1433 N ARG A 98 -1.523 -26.592 0.497 1.00 0.00 N ATOM 1434 CA ARG A 98 -1.088 -27.810 1.171 1.00 0.00 C ATOM 1435 C ARG A 98 -1.876 -29.018 0.673 1.00 0.00 C ATOM 1436 O ARG A 98 -3.106 -28.998 0.637 1.00 0.00 O ATOM 1437 CB ARG A 98 -1.255 -27.667 2.685 1.00 0.00 C ATOM 1438 CG ARG A 98 -0.188 -26.802 3.336 1.00 0.00 C ATOM 1439 CD ARG A 98 1.126 -27.553 3.482 1.00 0.00 C ATOM 1440 NE ARG A 98 1.894 -27.094 4.637 1.00 0.00 N ATOM 1441 CZ ARG A 98 1.617 -27.440 5.889 1.00 0.00 C ATOM 1442 NH1 ARG A 98 0.595 -28.245 6.147 1.00 0.00 N ATOM 1443 NH2 ARG A 98 2.362 -26.981 6.886 1.00 0.00 N ATOM 0 H ARG A 98 -2.404 -26.211 0.841 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.034 -27.966 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.235 -27.240 2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.235 -28.658 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.031 -25.905 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.532 -26.475 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.925 -28.620 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.720 -27.424 2.577 1.00 0.00 H new ATOM 0 HE ARG A 98 2.687 -26.474 4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.020 -28.600 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.384 -28.509 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.149 -26.362 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.148 -27.248 7.847 1.00 0.00 H new ATOM 1457 N PHE A 99 -1.158 -30.069 0.290 1.00 0.00 N ATOM 1458 CA PHE A 99 -1.790 -31.285 -0.207 1.00 0.00 C ATOM 1459 C PHE A 99 -1.589 -32.440 0.770 1.00 0.00 C ATOM 1460 O PHE A 99 -0.473 -32.700 1.219 1.00 0.00 O ATOM 1461 CB PHE A 99 -1.220 -31.657 -1.578 1.00 0.00 C ATOM 1462 CG PHE A 99 0.279 -31.748 -1.600 1.00 0.00 C ATOM 1463 CD1 PHE A 99 1.055 -30.601 -1.621 1.00 0.00 C ATOM 1464 CD2 PHE A 99 0.911 -32.981 -1.599 1.00 0.00 C ATOM 1465 CE1 PHE A 99 2.435 -30.681 -1.641 1.00 0.00 C ATOM 1466 CE2 PHE A 99 2.290 -33.067 -1.619 1.00 0.00 C ATOM 1467 CZ PHE A 99 3.053 -31.916 -1.641 1.00 0.00 C ATOM 0 H PHE A 99 -0.139 -30.103 0.314 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.859 -31.096 -0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.639 -32.614 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.542 -30.916 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.576 -29.633 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.320 -33.884 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.029 -29.779 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.771 -34.034 -1.617 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.131 -31.982 -1.658 1.00 0.00 H new ATOM 1477 N ILE A 100 -2.679 -33.129 1.094 1.00 0.00 N ATOM 1478 CA ILE A 100 -2.623 -34.256 2.017 1.00 0.00 C ATOM 1479 C ILE A 100 -3.372 -35.461 1.459 1.00 0.00 C ATOM 1480 O ILE A 100 -4.443 -35.818 1.947 1.00 0.00 O ATOM 1481 CB ILE A 100 -3.215 -33.889 3.390 1.00 0.00 C ATOM 1482 CG1 ILE A 100 -4.384 -32.915 3.222 1.00 0.00 C ATOM 1483 CG2 ILE A 100 -2.143 -33.288 4.286 1.00 0.00 C ATOM 1484 CD1 ILE A 100 -5.241 -32.781 4.461 1.00 0.00 C ATOM 0 H ILE A 100 -3.610 -32.926 0.731 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.570 -34.511 2.141 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.588 -34.798 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.993 -31.934 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.008 -33.248 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.577 -33.034 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.340 -34.011 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.742 -32.388 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.049 -32.075 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.661 -33.753 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.631 -32.418 5.288 1.00 0.00 H new ATOM 1496 N GLU A 101 -2.798 -36.084 0.433 1.00 0.00 N ATOM 1497 CA GLU A 101 -3.412 -37.250 -0.190 1.00 0.00 C ATOM 1498 C GLU A 101 -3.907 -38.235 0.865 1.00 0.00 C ATOM 1499 O GLU A 101 -3.277 -38.412 1.908 1.00 0.00 O ATOM 1500 CB GLU A 101 -2.414 -37.943 -1.121 1.00 0.00 C ATOM 1501 CG GLU A 101 -3.061 -38.916 -2.091 1.00 0.00 C ATOM 1502 CD GLU A 101 -3.599 -38.232 -3.333 1.00 0.00 C ATOM 1503 OE1 GLU A 101 -2.886 -37.373 -3.892 1.00 0.00 O ATOM 1504 OE2 GLU A 101 -4.733 -38.554 -3.745 1.00 0.00 O ATOM 0 H GLU A 101 -1.911 -35.801 0.017 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.267 -36.909 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.872 -37.186 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.679 -38.478 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.331 -39.670 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.874 -39.438 -1.587 1.00 0.00 H new ATOM 1511 N SER A 102 -5.040 -38.872 0.587 1.00 0.00 N ATOM 1512 CA SER A 102 -5.623 -39.835 1.514 1.00 0.00 C ATOM 1513 C SER A 102 -5.541 -41.250 0.949 1.00 0.00 C ATOM 1514 O SER A 102 -5.644 -41.455 -0.259 1.00 0.00 O ATOM 1515 CB SER A 102 -7.081 -39.474 1.807 1.00 0.00 C ATOM 1516 OG SER A 102 -7.912 -39.767 0.698 1.00 0.00 O ATOM 0 H SER A 102 -5.572 -38.739 -0.273 1.00 0.00 H new ATOM 0 HA SER A 102 -5.054 -39.800 2.443 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.427 -40.026 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.155 -38.414 2.050 1.00 0.00 H new ATOM 0 HG SER A 102 -8.838 -39.529 0.911 1.00 0.00 H new ATOM 1522 N GLY A 103 -5.355 -42.224 1.835 1.00 0.00 N ATOM 1523 CA GLY A 103 -5.262 -43.608 1.407 1.00 0.00 C ATOM 1524 C GLY A 103 -3.912 -44.221 1.720 1.00 0.00 C ATOM 1525 O GLY A 103 -2.956 -43.528 2.068 1.00 0.00 O ATOM 0 H GLY A 103 -5.267 -42.080 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.044 -44.190 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.444 -43.666 0.334 1.00 0.00 H new ATOM 1529 N PRO A 104 -3.820 -45.554 1.597 1.00 0.00 N ATOM 1530 CA PRO A 104 -2.582 -46.291 1.866 1.00 0.00 C ATOM 1531 C PRO A 104 -1.509 -46.022 0.816 1.00 0.00 C ATOM 1532 O PRO A 104 -1.816 -45.678 -0.325 1.00 0.00 O ATOM 1533 CB PRO A 104 -3.023 -47.756 1.817 1.00 0.00 C ATOM 1534 CG PRO A 104 -4.231 -47.759 0.945 1.00 0.00 C ATOM 1535 CD PRO A 104 -4.919 -46.444 1.187 1.00 0.00 C ATOM 0 HA PRO A 104 -2.132 -45.999 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.238 -48.392 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.253 -48.134 2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.955 -47.868 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.887 -48.594 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.417 -46.080 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.680 -46.526 1.963 1.00 0.00 H new ATOM 1543 N SER A 105 -0.249 -46.183 1.209 1.00 0.00 N ATOM 1544 CA SER A 105 0.870 -45.954 0.303 1.00 0.00 C ATOM 1545 C SER A 105 1.617 -47.255 0.023 1.00 0.00 C ATOM 1546 O SER A 105 1.463 -48.239 0.746 1.00 0.00 O ATOM 1547 CB SER A 105 1.829 -44.919 0.893 1.00 0.00 C ATOM 1548 OG SER A 105 1.298 -43.610 0.781 1.00 0.00 O ATOM 0 H SER A 105 0.022 -46.471 2.149 1.00 0.00 H new ATOM 0 HA SER A 105 0.471 -45.574 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.018 -45.150 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.788 -44.971 0.377 1.00 0.00 H new ATOM 0 HG SER A 105 1.929 -42.967 1.167 1.00 0.00 H new ATOM 1554 N SER A 106 2.426 -47.251 -1.031 1.00 0.00 N ATOM 1555 CA SER A 106 3.195 -48.430 -1.409 1.00 0.00 C ATOM 1556 C SER A 106 4.687 -48.114 -1.458 1.00 0.00 C ATOM 1557 O SER A 106 5.513 -48.892 -0.982 1.00 0.00 O ATOM 1558 CB SER A 106 2.729 -48.954 -2.769 1.00 0.00 C ATOM 1559 OG SER A 106 1.512 -49.670 -2.650 1.00 0.00 O ATOM 0 H SER A 106 2.566 -46.444 -1.639 1.00 0.00 H new ATOM 0 HA SER A 106 3.029 -49.199 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.598 -48.120 -3.458 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.495 -49.602 -3.195 1.00 0.00 H new ATOM 0 HG SER A 106 1.235 -49.993 -3.533 1.00 0.00 H new ATOM 1565 N GLY A 107 5.024 -46.965 -2.037 1.00 0.00 N ATOM 1566 CA GLY A 107 6.415 -46.566 -2.137 1.00 0.00 C ATOM 1567 C GLY A 107 6.713 -45.821 -3.423 1.00 0.00 C ATOM 1568 O GLY A 107 5.808 -45.543 -4.211 1.00 0.00 O ATOM 0 H GLY A 107 4.358 -46.304 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.670 -45.934 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.049 -47.451 -2.078 1.00 0.00 H new TER 1572 GLY A 107