USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 44 LYS NZ :NH3+ -164:sc= 1.32 (180deg=0.313) USER MOD Set 1.2: A 77 TYR OH : rot 12:sc= -1.06 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 180:sc= -0.0918 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00343 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.635 X(o=-0.63,f=-0.41) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0029 USER MOD Single : A 41 SER OG : rot 61:sc= 0.869 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 59 GLN : amide:sc= -6.69! C(o=-6.7!,f=-7.3!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 47:sc= 0.314 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.414 F(o=-1.6,f=-0.41) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2! C(o=-2!,f=-5.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 102:sc= 0.0855 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc=-0.00566 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -126:sc= -1.54 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.447 30.194 -4.485 1.00 0.00 N ATOM 2 CA GLY A 1 19.814 31.183 -3.632 1.00 0.00 C ATOM 3 C GLY A 1 18.496 30.697 -3.061 1.00 0.00 C ATOM 4 O GLY A 1 17.532 30.490 -3.798 1.00 0.00 O ATOM 0 H1 GLY A 1 21.344 30.574 -4.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.634 29.331 -3.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.817 29.968 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.488 31.439 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.645 32.096 -4.203 1.00 0.00 H new ATOM 8 N SER A 2 18.455 30.513 -1.746 1.00 0.00 N ATOM 9 CA SER A 2 17.247 30.044 -1.077 1.00 0.00 C ATOM 10 C SER A 2 17.329 30.288 0.427 1.00 0.00 C ATOM 11 O SER A 2 18.390 30.141 1.034 1.00 0.00 O ATOM 12 CB SER A 2 17.033 28.554 -1.352 1.00 0.00 C ATOM 13 OG SER A 2 15.694 28.174 -1.086 1.00 0.00 O ATOM 0 H SER A 2 19.244 30.681 -1.122 1.00 0.00 H new ATOM 0 HA SER A 2 16.401 30.605 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.277 28.334 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.711 27.966 -0.734 1.00 0.00 H new ATOM 0 HG SER A 2 15.582 27.218 -1.271 1.00 0.00 H new ATOM 19 N SER A 3 16.201 30.661 1.022 1.00 0.00 N ATOM 20 CA SER A 3 16.145 30.930 2.454 1.00 0.00 C ATOM 21 C SER A 3 15.343 29.853 3.178 1.00 0.00 C ATOM 22 O SER A 3 14.322 29.381 2.677 1.00 0.00 O ATOM 23 CB SER A 3 15.524 32.304 2.713 1.00 0.00 C ATOM 24 OG SER A 3 14.142 32.307 2.398 1.00 0.00 O ATOM 0 H SER A 3 15.313 30.784 0.535 1.00 0.00 H new ATOM 0 HA SER A 3 17.164 30.921 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.662 32.578 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.038 33.057 2.116 1.00 0.00 H new ATOM 0 HG SER A 3 13.768 33.196 2.574 1.00 0.00 H new ATOM 30 N GLY A 4 15.813 29.467 4.360 1.00 0.00 N ATOM 31 CA GLY A 4 15.128 28.448 5.134 1.00 0.00 C ATOM 32 C GLY A 4 15.692 27.062 4.894 1.00 0.00 C ATOM 33 O GLY A 4 16.803 26.915 4.386 1.00 0.00 O ATOM 0 H GLY A 4 16.656 29.842 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.204 28.689 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.068 28.455 4.880 1.00 0.00 H new ATOM 37 N SER A 5 14.924 26.041 5.262 1.00 0.00 N ATOM 38 CA SER A 5 15.356 24.659 5.089 1.00 0.00 C ATOM 39 C SER A 5 14.156 23.735 4.901 1.00 0.00 C ATOM 40 O SER A 5 13.352 23.549 5.814 1.00 0.00 O ATOM 41 CB SER A 5 16.179 24.204 6.296 1.00 0.00 C ATOM 42 OG SER A 5 17.244 25.103 6.554 1.00 0.00 O ATOM 0 H SER A 5 14.000 26.145 5.682 1.00 0.00 H new ATOM 0 HA SER A 5 15.977 24.608 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.536 24.135 7.174 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.577 23.206 6.113 1.00 0.00 H new ATOM 0 HG SER A 5 17.754 24.792 7.331 1.00 0.00 H new ATOM 48 N SER A 6 14.043 23.157 3.709 1.00 0.00 N ATOM 49 CA SER A 6 12.941 22.255 3.398 1.00 0.00 C ATOM 50 C SER A 6 13.251 21.427 2.155 1.00 0.00 C ATOM 51 O SER A 6 14.276 21.624 1.503 1.00 0.00 O ATOM 52 CB SER A 6 11.649 23.048 3.187 1.00 0.00 C ATOM 53 OG SER A 6 10.513 22.206 3.278 1.00 0.00 O ATOM 0 H SER A 6 14.702 23.298 2.943 1.00 0.00 H new ATOM 0 HA SER A 6 12.810 21.577 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.579 23.840 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.670 23.531 2.210 1.00 0.00 H new ATOM 0 HG SER A 6 9.701 22.737 3.141 1.00 0.00 H new ATOM 59 N GLY A 7 12.356 20.498 1.831 1.00 0.00 N ATOM 60 CA GLY A 7 12.551 19.653 0.668 1.00 0.00 C ATOM 61 C GLY A 7 11.315 18.845 0.324 1.00 0.00 C ATOM 62 O GLY A 7 10.281 18.942 0.985 1.00 0.00 O ATOM 0 H GLY A 7 11.499 20.316 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.825 20.273 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.385 18.975 0.851 1.00 0.00 H new ATOM 66 N PRO A 8 11.414 18.027 -0.734 1.00 0.00 N ATOM 67 CA PRO A 8 10.304 17.184 -1.189 1.00 0.00 C ATOM 68 C PRO A 8 10.001 16.050 -0.216 1.00 0.00 C ATOM 69 O PRO A 8 10.781 15.750 0.689 1.00 0.00 O ATOM 70 CB PRO A 8 10.806 16.625 -2.522 1.00 0.00 C ATOM 71 CG PRO A 8 12.292 16.660 -2.412 1.00 0.00 C ATOM 72 CD PRO A 8 12.616 17.861 -1.567 1.00 0.00 C ATOM 0 HA PRO A 8 9.373 17.745 -1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.445 15.610 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.457 17.227 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.671 15.747 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.755 16.739 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.506 17.697 -0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.806 18.743 -2.179 1.00 0.00 H new ATOM 80 N PRO A 9 8.842 15.402 -0.404 1.00 0.00 N ATOM 81 CA PRO A 9 8.410 14.289 0.448 1.00 0.00 C ATOM 82 C PRO A 9 9.256 13.038 0.239 1.00 0.00 C ATOM 83 O PRO A 9 9.400 12.555 -0.884 1.00 0.00 O ATOM 84 CB PRO A 9 6.967 14.040 0.001 1.00 0.00 C ATOM 85 CG PRO A 9 6.913 14.541 -1.401 1.00 0.00 C ATOM 86 CD PRO A 9 7.863 15.705 -1.462 1.00 0.00 C ATOM 0 HA PRO A 9 8.508 14.524 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.714 12.981 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.258 14.569 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.205 13.762 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.902 14.848 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.339 15.784 -2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.353 16.650 -1.278 1.00 0.00 H new ATOM 94 N ILE A 10 9.812 12.517 1.328 1.00 0.00 N ATOM 95 CA ILE A 10 10.642 11.321 1.264 1.00 0.00 C ATOM 96 C ILE A 10 9.975 10.150 1.977 1.00 0.00 C ATOM 97 O ILE A 10 9.449 10.301 3.080 1.00 0.00 O ATOM 98 CB ILE A 10 12.030 11.564 1.887 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.738 12.717 1.172 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.869 10.297 1.822 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.719 13.461 2.052 1.00 0.00 C ATOM 0 H ILE A 10 9.702 12.905 2.265 1.00 0.00 H new ATOM 0 HA ILE A 10 10.764 11.078 0.208 1.00 0.00 H new ATOM 0 HB ILE A 10 11.900 11.836 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.266 12.325 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.990 13.418 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.847 10.485 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.368 9.500 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.995 9.997 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.184 14.264 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.193 13.882 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.488 12.773 2.402 1.00 0.00 H new ATOM 113 N ILE A 11 10.003 8.984 1.341 1.00 0.00 N ATOM 114 CA ILE A 11 9.404 7.786 1.917 1.00 0.00 C ATOM 115 C ILE A 11 10.439 6.965 2.679 1.00 0.00 C ATOM 116 O ILE A 11 11.151 6.148 2.095 1.00 0.00 O ATOM 117 CB ILE A 11 8.760 6.902 0.833 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.665 7.675 0.096 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.195 5.632 1.451 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.145 6.964 -1.133 1.00 0.00 C ATOM 0 H ILE A 11 10.434 8.843 0.427 1.00 0.00 H new ATOM 0 HA ILE A 11 8.630 8.121 2.608 1.00 0.00 H new ATOM 0 HB ILE A 11 9.528 6.621 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.835 7.855 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.054 8.650 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.743 5.018 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.997 5.074 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.439 5.893 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.372 7.570 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.963 6.808 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.725 6.000 -0.845 1.00 0.00 H new ATOM 132 N LEU A 12 10.515 7.187 3.986 1.00 0.00 N ATOM 133 CA LEU A 12 11.462 6.466 4.830 1.00 0.00 C ATOM 134 C LEU A 12 11.437 4.972 4.524 1.00 0.00 C ATOM 135 O LEU A 12 12.483 4.348 4.349 1.00 0.00 O ATOM 136 CB LEU A 12 11.140 6.701 6.307 1.00 0.00 C ATOM 137 CG LEU A 12 11.031 8.161 6.747 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.192 8.277 8.010 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.413 8.757 6.966 1.00 0.00 C ATOM 0 H LEU A 12 9.933 7.860 4.485 1.00 0.00 H new ATOM 0 HA LEU A 12 12.462 6.845 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.198 6.202 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.911 6.218 6.907 1.00 0.00 H new ATOM 0 HG LEU A 12 10.537 8.723 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.126 9.323 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.191 7.890 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.657 7.701 8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.316 9.797 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.934 8.193 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.981 8.709 6.037 1.00 0.00 H new ATOM 151 N GLN A 13 10.236 4.407 4.458 1.00 0.00 N ATOM 152 CA GLN A 13 10.076 2.986 4.170 1.00 0.00 C ATOM 153 C GLN A 13 8.781 2.728 3.407 1.00 0.00 C ATOM 154 O GLN A 13 7.689 2.962 3.922 1.00 0.00 O ATOM 155 CB GLN A 13 10.087 2.177 5.469 1.00 0.00 C ATOM 156 CG GLN A 13 9.236 2.785 6.571 1.00 0.00 C ATOM 157 CD GLN A 13 9.443 2.105 7.910 1.00 0.00 C ATOM 158 OE1 GLN A 13 9.029 0.963 8.110 1.00 0.00 O ATOM 159 NE2 GLN A 13 10.087 2.805 8.837 1.00 0.00 N ATOM 0 H GLN A 13 9.360 4.910 4.600 1.00 0.00 H new ATOM 0 HA GLN A 13 10.912 2.670 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.731 1.168 5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.114 2.087 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.473 3.845 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.184 2.717 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.413 3.749 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.256 2.399 9.757 1.00 0.00 H new ATOM 168 N GLY A 14 8.912 2.244 2.176 1.00 0.00 N ATOM 169 CA GLY A 14 7.744 1.962 1.362 1.00 0.00 C ATOM 170 C GLY A 14 7.383 0.490 1.355 1.00 0.00 C ATOM 171 O GLY A 14 7.909 -0.304 2.136 1.00 0.00 O ATOM 0 H GLY A 14 9.806 2.042 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.897 2.539 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.929 2.292 0.340 1.00 0.00 H new ATOM 175 N PRO A 15 6.464 0.106 0.457 1.00 0.00 N ATOM 176 CA PRO A 15 6.012 -1.283 0.331 1.00 0.00 C ATOM 177 C PRO A 15 7.093 -2.195 -0.239 1.00 0.00 C ATOM 178 O PRO A 15 8.098 -1.725 -0.772 1.00 0.00 O ATOM 179 CB PRO A 15 4.830 -1.185 -0.637 1.00 0.00 C ATOM 180 CG PRO A 15 5.094 0.046 -1.434 1.00 0.00 C ATOM 181 CD PRO A 15 5.796 0.998 -0.506 1.00 0.00 C ATOM 0 HA PRO A 15 5.755 -1.717 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.768 -2.065 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.884 -1.114 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.712 -0.177 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.164 0.477 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.513 1.623 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.093 1.669 -0.012 1.00 0.00 H new ATOM 189 N ALA A 16 6.879 -3.501 -0.125 1.00 0.00 N ATOM 190 CA ALA A 16 7.834 -4.479 -0.631 1.00 0.00 C ATOM 191 C ALA A 16 7.122 -5.721 -1.157 1.00 0.00 C ATOM 192 O ALA A 16 5.982 -5.998 -0.786 1.00 0.00 O ATOM 193 CB ALA A 16 8.827 -4.860 0.457 1.00 0.00 C ATOM 0 H ALA A 16 6.052 -3.907 0.314 1.00 0.00 H new ATOM 0 HA ALA A 16 8.376 -4.024 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.534 -5.591 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.367 -3.972 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.292 -5.291 1.303 1.00 0.00 H new ATOM 199 N ASN A 17 7.801 -6.464 -2.024 1.00 0.00 N ATOM 200 CA ASN A 17 7.232 -7.676 -2.603 1.00 0.00 C ATOM 201 C ASN A 17 6.966 -8.721 -1.523 1.00 0.00 C ATOM 202 O ASN A 17 7.896 -9.301 -0.965 1.00 0.00 O ATOM 203 CB ASN A 17 8.173 -8.251 -3.663 1.00 0.00 C ATOM 204 CG ASN A 17 9.630 -8.165 -3.250 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.131 -9.019 -2.518 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.318 -7.130 -3.720 1.00 0.00 N ATOM 0 H ASN A 17 8.746 -6.249 -2.341 1.00 0.00 H new ATOM 0 HA ASN A 17 6.284 -7.414 -3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.912 -9.293 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.032 -7.714 -4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.302 -7.019 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.862 -6.446 -4.324 1.00 0.00 H new ATOM 213 N GLN A 18 5.689 -8.954 -1.235 1.00 0.00 N ATOM 214 CA GLN A 18 5.301 -9.929 -0.223 1.00 0.00 C ATOM 215 C GLN A 18 4.340 -10.962 -0.802 1.00 0.00 C ATOM 216 O GLN A 18 3.484 -10.638 -1.626 1.00 0.00 O ATOM 217 CB GLN A 18 4.652 -9.225 0.971 1.00 0.00 C ATOM 218 CG GLN A 18 3.722 -8.089 0.575 1.00 0.00 C ATOM 219 CD GLN A 18 3.357 -7.199 1.747 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.058 -7.683 2.839 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.379 -5.890 1.526 1.00 0.00 N ATOM 0 H GLN A 18 4.907 -8.481 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 18 6.201 -10.445 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.091 -9.957 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.435 -8.833 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.199 -7.487 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.812 -8.504 0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.633 -5.532 0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.142 -5.242 2.277 1.00 0.00 H new ATOM 230 N THR A 19 4.488 -12.210 -0.366 1.00 0.00 N ATOM 231 CA THR A 19 3.635 -13.291 -0.843 1.00 0.00 C ATOM 232 C THR A 19 2.683 -13.763 0.251 1.00 0.00 C ATOM 233 O THR A 19 3.068 -14.529 1.135 1.00 0.00 O ATOM 234 CB THR A 19 4.469 -14.490 -1.334 1.00 0.00 C ATOM 235 OG1 THR A 19 5.396 -14.063 -2.338 1.00 0.00 O ATOM 236 CG2 THR A 19 3.570 -15.580 -1.897 1.00 0.00 C ATOM 0 H THR A 19 5.190 -12.496 0.316 1.00 0.00 H new ATOM 0 HA THR A 19 3.057 -12.893 -1.678 1.00 0.00 H new ATOM 0 HB THR A 19 5.017 -14.896 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.923 -14.830 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.181 -16.416 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.885 -15.923 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.999 -15.183 -2.736 1.00 0.00 H new ATOM 244 N LEU A 20 1.439 -13.302 0.185 1.00 0.00 N ATOM 245 CA LEU A 20 0.431 -13.678 1.170 1.00 0.00 C ATOM 246 C LEU A 20 -0.580 -14.650 0.571 1.00 0.00 C ATOM 247 O LEU A 20 -0.504 -14.991 -0.610 1.00 0.00 O ATOM 248 CB LEU A 20 -0.290 -12.433 1.691 1.00 0.00 C ATOM 249 CG LEU A 20 0.605 -11.263 2.103 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.145 -9.946 1.972 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.109 -11.452 3.526 1.00 0.00 C ATOM 0 H LEU A 20 1.104 -12.667 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 20 0.936 -14.173 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.976 -12.085 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.896 -12.721 2.550 1.00 0.00 H new ATOM 0 HG LEU A 20 1.466 -11.236 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.507 -9.125 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.456 -9.806 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.024 -9.962 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.744 -10.610 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.261 -11.506 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.684 -12.376 3.589 1.00 0.00 H new ATOM 263 N ALA A 21 -1.527 -15.092 1.392 1.00 0.00 N ATOM 264 CA ALA A 21 -2.555 -16.022 0.942 1.00 0.00 C ATOM 265 C ALA A 21 -3.912 -15.333 0.840 1.00 0.00 C ATOM 266 O ALA A 21 -4.226 -14.439 1.627 1.00 0.00 O ATOM 267 CB ALA A 21 -2.636 -17.215 1.882 1.00 0.00 C ATOM 0 H ALA A 21 -1.603 -14.821 2.372 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.280 -16.375 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.408 -17.901 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.675 -17.729 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.883 -16.871 2.886 1.00 0.00 H new ATOM 273 N VAL A 22 -4.713 -15.754 -0.133 1.00 0.00 N ATOM 274 CA VAL A 22 -6.037 -15.178 -0.337 1.00 0.00 C ATOM 275 C VAL A 22 -6.918 -15.376 0.891 1.00 0.00 C ATOM 276 O VAL A 22 -6.712 -16.306 1.671 1.00 0.00 O ATOM 277 CB VAL A 22 -6.736 -15.797 -1.562 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.976 -17.283 -1.345 1.00 0.00 C ATOM 279 CG2 VAL A 22 -8.042 -15.074 -1.851 1.00 0.00 C ATOM 0 H VAL A 22 -4.468 -16.492 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.894 -14.111 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.084 -15.682 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.471 -17.703 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.022 -17.787 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.608 -17.425 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.523 -15.524 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.702 -15.156 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.839 -14.022 -2.053 1.00 0.00 H new ATOM 289 N ASP A 23 -7.899 -14.496 1.056 1.00 0.00 N ATOM 290 CA ASP A 23 -8.814 -14.575 2.190 1.00 0.00 C ATOM 291 C ASP A 23 -8.106 -14.195 3.487 1.00 0.00 C ATOM 292 O ASP A 23 -8.456 -14.679 4.562 1.00 0.00 O ATOM 293 CB ASP A 23 -9.396 -15.985 2.306 1.00 0.00 C ATOM 294 CG ASP A 23 -10.687 -16.015 3.100 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.798 -15.249 4.081 1.00 0.00 O ATOM 296 OD2 ASP A 23 -11.586 -16.802 2.740 1.00 0.00 O ATOM 0 H ASP A 23 -8.082 -13.720 0.420 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.626 -13.868 2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.578 -16.383 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.665 -16.639 2.782 1.00 0.00 H new ATOM 301 N GLY A 24 -7.106 -13.326 3.377 1.00 0.00 N ATOM 302 CA GLY A 24 -6.364 -12.896 4.548 1.00 0.00 C ATOM 303 C GLY A 24 -6.351 -11.389 4.705 1.00 0.00 C ATOM 304 O GLY A 24 -7.373 -10.728 4.518 1.00 0.00 O ATOM 0 H GLY A 24 -6.796 -12.912 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.803 -13.347 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.339 -13.260 4.478 1.00 0.00 H new ATOM 308 N THR A 25 -5.191 -10.842 5.054 1.00 0.00 N ATOM 309 CA THR A 25 -5.049 -9.403 5.240 1.00 0.00 C ATOM 310 C THR A 25 -3.691 -8.916 4.749 1.00 0.00 C ATOM 311 O THR A 25 -2.651 -9.441 5.148 1.00 0.00 O ATOM 312 CB THR A 25 -5.219 -9.009 6.719 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.391 -9.629 7.260 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.324 -7.499 6.868 1.00 0.00 C ATOM 0 H THR A 25 -4.336 -11.374 5.214 1.00 0.00 H new ATOM 0 HA THR A 25 -5.835 -8.929 4.652 1.00 0.00 H new ATOM 0 HB THR A 25 -4.341 -9.352 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.491 -9.375 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.444 -7.245 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.418 -7.031 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.186 -7.137 6.307 1.00 0.00 H new ATOM 322 N ALA A 26 -3.706 -7.909 3.882 1.00 0.00 N ATOM 323 CA ALA A 26 -2.474 -7.349 3.339 1.00 0.00 C ATOM 324 C ALA A 26 -2.143 -6.013 3.994 1.00 0.00 C ATOM 325 O ALA A 26 -2.891 -5.043 3.863 1.00 0.00 O ATOM 326 CB ALA A 26 -2.589 -7.186 1.831 1.00 0.00 C ATOM 0 H ALA A 26 -4.558 -7.464 3.540 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.661 -8.042 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.662 -6.767 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.770 -8.158 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.417 -6.516 1.600 1.00 0.00 H new ATOM 332 N LEU A 27 -1.019 -5.968 4.700 1.00 0.00 N ATOM 333 CA LEU A 27 -0.588 -4.750 5.377 1.00 0.00 C ATOM 334 C LEU A 27 0.649 -4.162 4.706 1.00 0.00 C ATOM 335 O LEU A 27 1.778 -4.534 5.025 1.00 0.00 O ATOM 336 CB LEU A 27 -0.294 -5.038 6.850 1.00 0.00 C ATOM 337 CG LEU A 27 -1.475 -4.893 7.811 1.00 0.00 C ATOM 338 CD1 LEU A 27 -1.666 -3.436 8.205 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.745 -5.449 7.184 1.00 0.00 C ATOM 0 H LEU A 27 -0.389 -6.761 4.819 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.396 -4.022 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.092 -6.054 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.501 -4.368 7.179 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.258 -5.467 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.511 -3.352 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.764 -3.070 8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.861 -2.840 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.575 -5.337 7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.967 -4.904 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.605 -6.505 6.953 1.00 0.00 H new ATOM 351 N LEU A 28 0.428 -3.240 3.775 1.00 0.00 N ATOM 352 CA LEU A 28 1.525 -2.597 3.059 1.00 0.00 C ATOM 353 C LEU A 28 2.077 -1.418 3.854 1.00 0.00 C ATOM 354 O LEU A 28 1.476 -0.345 3.892 1.00 0.00 O ATOM 355 CB LEU A 28 1.054 -2.123 1.683 1.00 0.00 C ATOM 356 CG LEU A 28 0.789 -3.219 0.651 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.614 -3.783 0.818 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.984 -2.682 -0.760 1.00 0.00 C ATOM 0 H LEU A 28 -0.500 -2.921 3.498 1.00 0.00 H new ATOM 0 HA LEU A 28 2.321 -3.330 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.139 -1.545 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.804 -1.444 1.278 1.00 0.00 H new ATOM 0 HG LEU A 28 1.505 -4.025 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.784 -4.562 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.720 -4.206 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.345 -2.986 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.791 -3.476 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.293 -1.858 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.008 -2.327 -0.876 1.00 0.00 H new ATOM 370 N LYS A 29 3.227 -1.625 4.487 1.00 0.00 N ATOM 371 CA LYS A 29 3.864 -0.579 5.278 1.00 0.00 C ATOM 372 C LYS A 29 4.361 0.553 4.385 1.00 0.00 C ATOM 373 O LYS A 29 4.984 0.314 3.350 1.00 0.00 O ATOM 374 CB LYS A 29 5.031 -1.158 6.081 1.00 0.00 C ATOM 375 CG LYS A 29 4.599 -1.899 7.335 1.00 0.00 C ATOM 376 CD LYS A 29 4.224 -3.339 7.030 1.00 0.00 C ATOM 377 CE LYS A 29 3.383 -3.944 8.144 1.00 0.00 C ATOM 378 NZ LYS A 29 4.228 -4.542 9.214 1.00 0.00 N ATOM 0 H LYS A 29 3.737 -2.508 4.467 1.00 0.00 H new ATOM 0 HA LYS A 29 3.121 -0.176 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.597 -1.838 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.705 -0.349 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.407 -1.880 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.748 -1.388 7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.671 -3.381 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.129 -3.931 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.743 -3.174 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.727 -4.709 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.618 -4.944 9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.821 -5.294 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.836 -3.807 9.628 1.00 0.00 H new ATOM 392 N CYS A 30 4.082 1.787 4.791 1.00 0.00 N ATOM 393 CA CYS A 30 4.500 2.957 4.029 1.00 0.00 C ATOM 394 C CYS A 30 4.592 4.188 4.927 1.00 0.00 C ATOM 395 O CYS A 30 3.585 4.664 5.452 1.00 0.00 O ATOM 396 CB CYS A 30 3.523 3.221 2.882 1.00 0.00 C ATOM 397 SG CYS A 30 4.182 4.309 1.578 1.00 0.00 S ATOM 0 H CYS A 30 3.567 2.002 5.645 1.00 0.00 H new ATOM 0 HA CYS A 30 5.489 2.756 3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.238 2.268 2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.615 3.667 3.288 1.00 0.00 H new ATOM 402 N LYS A 31 5.807 4.698 5.100 1.00 0.00 N ATOM 403 CA LYS A 31 6.032 5.874 5.932 1.00 0.00 C ATOM 404 C LYS A 31 6.743 6.970 5.146 1.00 0.00 C ATOM 405 O LYS A 31 7.708 6.705 4.429 1.00 0.00 O ATOM 406 CB LYS A 31 6.856 5.500 7.166 1.00 0.00 C ATOM 407 CG LYS A 31 6.923 6.601 8.210 1.00 0.00 C ATOM 408 CD LYS A 31 5.767 6.508 9.192 1.00 0.00 C ATOM 409 CE LYS A 31 6.108 5.610 10.371 1.00 0.00 C ATOM 410 NZ LYS A 31 5.002 5.557 11.367 1.00 0.00 N ATOM 0 H LYS A 31 6.651 4.315 4.675 1.00 0.00 H new ATOM 0 HA LYS A 31 5.061 6.253 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.429 4.606 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.869 5.246 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.867 6.534 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.906 7.573 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.514 7.505 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.885 6.121 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.321 4.603 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.015 5.974 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.274 4.935 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.815 6.514 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.143 5.186 10.913 1.00 0.00 H new ATOM 424 N ALA A 32 6.262 8.200 5.286 1.00 0.00 N ATOM 425 CA ALA A 32 6.854 9.336 4.591 1.00 0.00 C ATOM 426 C ALA A 32 6.765 10.603 5.435 1.00 0.00 C ATOM 427 O ALA A 32 5.801 10.803 6.175 1.00 0.00 O ATOM 428 CB ALA A 32 6.173 9.546 3.247 1.00 0.00 C ATOM 0 H ALA A 32 5.463 8.436 5.875 1.00 0.00 H new ATOM 0 HA ALA A 32 7.908 9.117 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.625 10.398 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.293 8.652 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.112 9.739 3.403 1.00 0.00 H new ATOM 434 N THR A 33 7.777 11.458 5.319 1.00 0.00 N ATOM 435 CA THR A 33 7.814 12.705 6.073 1.00 0.00 C ATOM 436 C THR A 33 7.735 13.911 5.144 1.00 0.00 C ATOM 437 O THR A 33 8.183 13.856 4.000 1.00 0.00 O ATOM 438 CB THR A 33 9.094 12.809 6.924 1.00 0.00 C ATOM 439 OG1 THR A 33 9.134 14.074 7.595 1.00 0.00 O ATOM 440 CG2 THR A 33 10.334 12.650 6.057 1.00 0.00 C ATOM 0 H THR A 33 8.582 11.309 4.710 1.00 0.00 H new ATOM 0 HA THR A 33 6.947 12.701 6.734 1.00 0.00 H new ATOM 0 HB THR A 33 9.080 12.007 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.950 14.132 8.135 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.225 12.727 6.679 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.315 11.675 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.351 13.434 5.300 1.00 0.00 H new ATOM 448 N GLY A 34 7.162 15.001 5.645 1.00 0.00 N ATOM 449 CA GLY A 34 7.035 16.206 4.847 1.00 0.00 C ATOM 450 C GLY A 34 6.514 17.382 5.649 1.00 0.00 C ATOM 451 O GLY A 34 5.996 17.208 6.753 1.00 0.00 O ATOM 0 H GLY A 34 6.783 15.071 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.006 16.461 4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.363 16.015 4.011 1.00 0.00 H new ATOM 455 N ASP A 35 6.652 18.582 5.096 1.00 0.00 N ATOM 456 CA ASP A 35 6.192 19.791 5.768 1.00 0.00 C ATOM 457 C ASP A 35 5.430 20.693 4.803 1.00 0.00 C ATOM 458 O ASP A 35 6.009 21.524 4.102 1.00 0.00 O ATOM 459 CB ASP A 35 7.378 20.550 6.366 1.00 0.00 C ATOM 460 CG ASP A 35 6.981 21.394 7.562 1.00 0.00 C ATOM 461 OD1 ASP A 35 6.366 22.461 7.356 1.00 0.00 O ATOM 462 OD2 ASP A 35 7.287 20.989 8.703 1.00 0.00 O ATOM 0 H ASP A 35 7.079 18.743 4.184 1.00 0.00 H new ATOM 0 HA ASP A 35 5.517 19.496 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.147 19.838 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.818 21.191 5.602 1.00 0.00 H new ATOM 467 N PRO A 36 4.100 20.527 4.762 1.00 0.00 N ATOM 468 CA PRO A 36 3.399 19.542 5.592 1.00 0.00 C ATOM 469 C PRO A 36 3.689 18.109 5.158 1.00 0.00 C ATOM 470 O PRO A 36 4.462 17.875 4.228 1.00 0.00 O ATOM 471 CB PRO A 36 1.923 19.879 5.371 1.00 0.00 C ATOM 472 CG PRO A 36 1.879 20.540 4.037 1.00 0.00 C ATOM 473 CD PRO A 36 3.177 21.289 3.904 1.00 0.00 C ATOM 0 HA PRO A 36 3.710 19.592 6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.305 18.981 5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.547 20.539 6.152 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.769 19.804 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.028 21.217 3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.520 21.317 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.080 22.323 4.236 1.00 0.00 H new ATOM 481 N LEU A 37 3.066 17.153 5.838 1.00 0.00 N ATOM 482 CA LEU A 37 3.257 15.741 5.522 1.00 0.00 C ATOM 483 C LEU A 37 2.551 15.374 4.221 1.00 0.00 C ATOM 484 O LEU A 37 1.500 15.918 3.881 1.00 0.00 O ATOM 485 CB LEU A 37 2.734 14.868 6.664 1.00 0.00 C ATOM 486 CG LEU A 37 3.670 14.698 7.862 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.871 14.459 9.134 1.00 0.00 C ATOM 488 CD2 LEU A 37 4.644 13.554 7.619 1.00 0.00 C ATOM 0 H LEU A 37 2.425 17.329 6.611 1.00 0.00 H new ATOM 0 HA LEU A 37 4.325 15.563 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.795 15.293 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.505 13.880 6.264 1.00 0.00 H new ATOM 0 HG LEU A 37 4.243 15.617 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.554 14.340 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.214 15.310 9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.272 13.555 9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.302 13.447 8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.088 12.628 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.240 13.766 6.731 1.00 0.00 H new ATOM 500 N PRO A 38 3.138 14.425 3.476 1.00 0.00 N ATOM 501 CA PRO A 38 2.581 13.961 2.202 1.00 0.00 C ATOM 502 C PRO A 38 1.298 13.158 2.389 1.00 0.00 C ATOM 503 O PRO A 38 1.121 12.479 3.400 1.00 0.00 O ATOM 504 CB PRO A 38 3.690 13.073 1.633 1.00 0.00 C ATOM 505 CG PRO A 38 4.452 12.608 2.825 1.00 0.00 C ATOM 506 CD PRO A 38 4.391 13.733 3.821 1.00 0.00 C ATOM 0 HA PRO A 38 2.305 14.791 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.277 12.233 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.329 13.629 0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.015 11.698 3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.484 12.375 2.562 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.376 13.362 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.253 14.395 3.734 1.00 0.00 H new ATOM 514 N VAL A 39 0.406 13.240 1.407 1.00 0.00 N ATOM 515 CA VAL A 39 -0.860 12.519 1.462 1.00 0.00 C ATOM 516 C VAL A 39 -0.696 11.082 0.979 1.00 0.00 C ATOM 517 O VAL A 39 -0.880 10.789 -0.202 1.00 0.00 O ATOM 518 CB VAL A 39 -1.940 13.215 0.612 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.235 12.418 0.637 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.169 14.636 1.103 1.00 0.00 C ATOM 0 H VAL A 39 0.537 13.799 0.564 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.176 12.514 2.505 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.591 13.263 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.986 12.925 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.056 11.421 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.592 12.336 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.935 15.113 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.496 14.613 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.240 15.201 1.027 1.00 0.00 H new ATOM 530 N ILE A 40 -0.349 10.190 1.901 1.00 0.00 N ATOM 531 CA ILE A 40 -0.162 8.783 1.569 1.00 0.00 C ATOM 532 C ILE A 40 -1.277 8.280 0.659 1.00 0.00 C ATOM 533 O ILE A 40 -2.456 8.355 1.004 1.00 0.00 O ATOM 534 CB ILE A 40 -0.115 7.908 2.835 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.064 8.318 3.721 1.00 0.00 C ATOM 536 CG2 ILE A 40 -0.014 6.437 2.459 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.402 8.242 3.020 1.00 0.00 C ATOM 0 H ILE A 40 -0.192 10.417 2.883 1.00 0.00 H new ATOM 0 HA ILE A 40 0.792 8.706 1.048 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.037 8.057 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.905 9.337 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.087 7.676 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.018 5.831 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.882 6.153 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.894 6.271 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.191 8.546 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.583 7.219 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.398 8.906 2.156 1.00 0.00 H new ATOM 549 N SER A 41 -0.896 7.766 -0.506 1.00 0.00 N ATOM 550 CA SER A 41 -1.864 7.252 -1.468 1.00 0.00 C ATOM 551 C SER A 41 -1.401 5.916 -2.043 1.00 0.00 C ATOM 552 O SER A 41 -0.275 5.481 -1.802 1.00 0.00 O ATOM 553 CB SER A 41 -2.076 8.260 -2.599 1.00 0.00 C ATOM 554 OG SER A 41 -2.570 9.491 -2.099 1.00 0.00 O ATOM 0 H SER A 41 0.076 7.694 -0.807 1.00 0.00 H new ATOM 0 HA SER A 41 -2.809 7.097 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.135 8.428 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.777 7.852 -3.327 1.00 0.00 H new ATOM 0 HG SER A 41 -1.923 9.871 -1.469 1.00 0.00 H new ATOM 560 N TRP A 42 -2.278 5.272 -2.804 1.00 0.00 N ATOM 561 CA TRP A 42 -1.961 3.986 -3.414 1.00 0.00 C ATOM 562 C TRP A 42 -2.582 3.873 -4.802 1.00 0.00 C ATOM 563 O TRP A 42 -3.787 4.063 -4.971 1.00 0.00 O ATOM 564 CB TRP A 42 -2.454 2.842 -2.527 1.00 0.00 C ATOM 565 CG TRP A 42 -1.852 2.852 -1.154 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.364 3.451 -0.039 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.623 2.237 -0.753 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.527 3.245 1.031 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.452 2.503 0.620 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.350 1.487 -1.419 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.651 2.045 1.335 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.444 1.033 -0.708 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.587 1.313 0.658 1.00 0.00 C ATOM 0 H TRP A 42 -3.214 5.619 -3.013 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.878 3.918 -3.515 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.539 2.901 -2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.224 1.892 -3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.290 4.005 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.681 3.589 1.979 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.248 1.266 -2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.764 2.260 2.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.202 0.453 -1.213 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.453 0.943 1.186 1.00 0.00 H new ATOM 584 N LEU A 43 -1.753 3.563 -5.793 1.00 0.00 N ATOM 585 CA LEU A 43 -2.222 3.424 -7.167 1.00 0.00 C ATOM 586 C LEU A 43 -2.027 1.997 -7.668 1.00 0.00 C ATOM 587 O LEU A 43 -0.903 1.500 -7.739 1.00 0.00 O ATOM 588 CB LEU A 43 -1.482 4.403 -8.080 1.00 0.00 C ATOM 589 CG LEU A 43 -1.737 5.888 -7.820 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.730 6.743 -8.574 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.158 6.262 -8.216 1.00 0.00 C ATOM 0 H LEU A 43 -0.753 3.403 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.288 3.653 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.412 4.217 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.755 4.183 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.616 6.076 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.927 7.797 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.278 6.494 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.818 6.551 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.322 7.322 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.306 6.058 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.865 5.674 -7.631 1.00 0.00 H new ATOM 603 N LYS A 44 -3.129 1.342 -8.017 1.00 0.00 N ATOM 604 CA LYS A 44 -3.081 -0.027 -8.515 1.00 0.00 C ATOM 605 C LYS A 44 -3.028 -0.050 -10.039 1.00 0.00 C ATOM 606 O LYS A 44 -4.045 0.132 -10.707 1.00 0.00 O ATOM 607 CB LYS A 44 -4.299 -0.814 -8.025 1.00 0.00 C ATOM 608 CG LYS A 44 -4.085 -2.317 -8.005 1.00 0.00 C ATOM 609 CD LYS A 44 -4.922 -2.986 -6.928 1.00 0.00 C ATOM 610 CE LYS A 44 -4.704 -4.491 -6.907 1.00 0.00 C ATOM 611 NZ LYS A 44 -4.984 -5.073 -5.565 1.00 0.00 N ATOM 0 H LYS A 44 -4.067 1.738 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.175 -0.495 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.557 -0.479 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.150 -0.585 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.342 -2.735 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.030 -2.533 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.667 -2.567 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.977 -2.772 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.349 -4.962 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.676 -4.713 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.575 -6.027 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.561 -4.471 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.012 -5.128 -5.418 1.00 0.00 H new ATOM 625 N GLU A 45 -1.836 -0.277 -10.582 1.00 0.00 N ATOM 626 CA GLU A 45 -1.652 -0.324 -12.028 1.00 0.00 C ATOM 627 C GLU A 45 -1.993 1.021 -12.664 1.00 0.00 C ATOM 628 O GLU A 45 -2.542 1.078 -13.764 1.00 0.00 O ATOM 629 CB GLU A 45 -2.522 -1.425 -12.639 1.00 0.00 C ATOM 630 CG GLU A 45 -2.254 -2.804 -12.061 1.00 0.00 C ATOM 631 CD GLU A 45 -3.403 -3.767 -12.291 1.00 0.00 C ATOM 632 OE1 GLU A 45 -4.458 -3.597 -11.646 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.245 -4.690 -13.118 1.00 0.00 O ATOM 0 H GLU A 45 -0.984 -0.431 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.604 -0.546 -12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.572 -1.174 -12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.355 -1.453 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.348 -3.212 -12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.068 -2.715 -10.991 1.00 0.00 H new ATOM 640 N GLY A 46 -1.664 2.101 -11.963 1.00 0.00 N ATOM 641 CA GLY A 46 -1.943 3.431 -12.473 1.00 0.00 C ATOM 642 C GLY A 46 -3.406 3.805 -12.346 1.00 0.00 C ATOM 643 O GLY A 46 -3.988 4.387 -13.262 1.00 0.00 O ATOM 0 H GLY A 46 -1.209 2.079 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.337 4.158 -11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.647 3.485 -13.521 1.00 0.00 H new ATOM 647 N PHE A 47 -4.004 3.470 -11.208 1.00 0.00 N ATOM 648 CA PHE A 47 -5.410 3.772 -10.965 1.00 0.00 C ATOM 649 C PHE A 47 -5.662 4.036 -9.483 1.00 0.00 C ATOM 650 O PHE A 47 -5.071 3.391 -8.616 1.00 0.00 O ATOM 651 CB PHE A 47 -6.293 2.618 -11.446 1.00 0.00 C ATOM 652 CG PHE A 47 -6.144 2.320 -12.910 1.00 0.00 C ATOM 653 CD1 PHE A 47 -6.579 3.227 -13.863 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.569 1.133 -13.334 1.00 0.00 C ATOM 655 CE1 PHE A 47 -6.444 2.956 -15.212 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.431 0.857 -14.681 1.00 0.00 C ATOM 657 CZ PHE A 47 -5.870 1.769 -15.621 1.00 0.00 C ATOM 0 H PHE A 47 -3.537 2.989 -10.439 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.664 4.672 -11.525 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.050 1.722 -10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.336 2.857 -11.236 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.029 4.157 -13.548 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.225 0.416 -12.604 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.787 3.672 -15.945 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.980 -0.071 -14.999 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.764 1.554 -16.674 1.00 0.00 H new ATOM 667 N THR A 48 -6.543 4.990 -9.199 1.00 0.00 N ATOM 668 CA THR A 48 -6.872 5.342 -7.824 1.00 0.00 C ATOM 669 C THR A 48 -7.278 4.110 -7.023 1.00 0.00 C ATOM 670 O THR A 48 -8.046 3.273 -7.499 1.00 0.00 O ATOM 671 CB THR A 48 -8.012 6.376 -7.766 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.340 6.668 -6.403 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.246 5.862 -8.491 1.00 0.00 C ATOM 0 H THR A 48 -7.042 5.533 -9.904 1.00 0.00 H new ATOM 0 HA THR A 48 -5.974 5.777 -7.386 1.00 0.00 H new ATOM 0 HB THR A 48 -7.673 7.286 -8.260 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.064 7.327 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.038 6.609 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.000 5.669 -9.535 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.586 4.939 -8.022 1.00 0.00 H new ATOM 681 N PHE A 49 -6.759 4.004 -5.805 1.00 0.00 N ATOM 682 CA PHE A 49 -7.067 2.873 -4.938 1.00 0.00 C ATOM 683 C PHE A 49 -6.573 3.126 -3.516 1.00 0.00 C ATOM 684 O PHE A 49 -5.516 3.717 -3.296 1.00 0.00 O ATOM 685 CB PHE A 49 -6.435 1.593 -5.489 1.00 0.00 C ATOM 686 CG PHE A 49 -6.455 0.448 -4.517 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.684 0.485 -3.367 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.245 -0.666 -4.754 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.700 -0.568 -2.471 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.265 -1.721 -3.862 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.492 -1.672 -2.719 1.00 0.00 C ATOM 0 H PHE A 49 -6.123 4.688 -5.396 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.150 2.753 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.963 1.298 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.403 1.800 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.063 1.346 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.852 -0.710 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.094 -0.527 -1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.885 -2.583 -4.059 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.507 -2.495 -2.020 1.00 0.00 H new ATOM 701 N PRO A 50 -7.356 2.669 -2.528 1.00 0.00 N ATOM 702 CA PRO A 50 -8.617 1.965 -2.779 1.00 0.00 C ATOM 703 C PRO A 50 -9.695 2.887 -3.338 1.00 0.00 C ATOM 704 O PRO A 50 -10.571 2.452 -4.085 1.00 0.00 O ATOM 705 CB PRO A 50 -9.019 1.452 -1.393 1.00 0.00 C ATOM 706 CG PRO A 50 -8.361 2.387 -0.438 1.00 0.00 C ATOM 707 CD PRO A 50 -7.071 2.805 -1.090 1.00 0.00 C ATOM 0 HA PRO A 50 -8.502 1.178 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.102 1.456 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.684 0.427 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.995 3.251 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.175 1.900 0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.802 3.828 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.241 2.169 -0.783 1.00 0.00 H new ATOM 715 N GLY A 51 -9.624 4.163 -2.973 1.00 0.00 N ATOM 716 CA GLY A 51 -10.600 5.126 -3.448 1.00 0.00 C ATOM 717 C GLY A 51 -11.912 5.042 -2.695 1.00 0.00 C ATOM 718 O GLY A 51 -12.034 5.561 -1.586 1.00 0.00 O ATOM 0 H GLY A 51 -8.908 4.547 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.191 6.132 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.783 4.960 -4.510 1.00 0.00 H new ATOM 722 N ARG A 52 -12.899 4.388 -3.300 1.00 0.00 N ATOM 723 CA ARG A 52 -14.210 4.240 -2.680 1.00 0.00 C ATOM 724 C ARG A 52 -14.512 2.773 -2.389 1.00 0.00 C ATOM 725 O ARG A 52 -15.397 2.177 -3.004 1.00 0.00 O ATOM 726 CB ARG A 52 -15.295 4.825 -3.586 1.00 0.00 C ATOM 727 CG ARG A 52 -14.895 6.133 -4.249 1.00 0.00 C ATOM 728 CD ARG A 52 -15.144 7.321 -3.333 1.00 0.00 C ATOM 729 NE ARG A 52 -16.569 7.542 -3.100 1.00 0.00 N ATOM 730 CZ ARG A 52 -17.042 8.399 -2.202 1.00 0.00 C ATOM 731 NH1 ARG A 52 -16.208 9.112 -1.457 1.00 0.00 N ATOM 732 NH2 ARG A 52 -18.351 8.545 -2.048 1.00 0.00 N ATOM 0 H ARG A 52 -12.815 3.953 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.201 4.785 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.543 4.097 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.199 4.987 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.840 6.097 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.458 6.261 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.642 7.155 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.705 8.217 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.237 7.009 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.200 9.003 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.574 9.769 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.996 7.999 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.713 9.203 -1.358 1.00 0.00 H new ATOM 746 N ASP A 53 -13.770 2.197 -1.450 1.00 0.00 N ATOM 747 CA ASP A 53 -13.959 0.800 -1.077 1.00 0.00 C ATOM 748 C ASP A 53 -13.899 0.629 0.438 1.00 0.00 C ATOM 749 O ASP A 53 -12.923 0.997 1.091 1.00 0.00 O ATOM 750 CB ASP A 53 -12.896 -0.076 -1.743 1.00 0.00 C ATOM 751 CG ASP A 53 -13.384 -1.490 -1.992 1.00 0.00 C ATOM 752 OD1 ASP A 53 -13.378 -2.296 -1.039 1.00 0.00 O ATOM 753 OD2 ASP A 53 -13.773 -1.789 -3.140 1.00 0.00 O ATOM 0 H ASP A 53 -13.032 2.676 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.945 0.488 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.599 0.375 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.008 -0.107 -1.112 1.00 0.00 H new ATOM 758 N PRO A 54 -14.969 0.057 1.012 1.00 0.00 N ATOM 759 CA PRO A 54 -15.063 -0.175 2.456 1.00 0.00 C ATOM 760 C PRO A 54 -14.104 -1.261 2.932 1.00 0.00 C ATOM 761 O PRO A 54 -13.419 -1.099 3.942 1.00 0.00 O ATOM 762 CB PRO A 54 -16.514 -0.620 2.650 1.00 0.00 C ATOM 763 CG PRO A 54 -16.913 -1.196 1.336 1.00 0.00 C ATOM 764 CD PRO A 54 -16.168 -0.406 0.295 1.00 0.00 C ATOM 0 HA PRO A 54 -14.795 0.712 3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.598 -1.358 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -17.152 0.220 2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.658 -2.254 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.990 -1.120 1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.908 -1.021 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.762 0.429 -0.077 1.00 0.00 H new ATOM 772 N ARG A 55 -14.060 -2.368 2.198 1.00 0.00 N ATOM 773 CA ARG A 55 -13.186 -3.482 2.546 1.00 0.00 C ATOM 774 C ARG A 55 -11.756 -3.000 2.770 1.00 0.00 C ATOM 775 O ARG A 55 -11.097 -3.403 3.729 1.00 0.00 O ATOM 776 CB ARG A 55 -13.212 -4.542 1.444 1.00 0.00 C ATOM 777 CG ARG A 55 -14.511 -5.330 1.387 1.00 0.00 C ATOM 778 CD ARG A 55 -14.420 -6.613 2.198 1.00 0.00 C ATOM 779 NE ARG A 55 -13.660 -6.429 3.431 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.833 -7.172 4.519 1.00 0.00 C ATOM 781 NH1 ARG A 55 -14.735 -8.143 4.526 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.102 -6.943 5.603 1.00 0.00 N ATOM 0 H ARG A 55 -14.620 -2.517 1.358 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.552 -3.923 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.048 -4.057 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.384 -5.234 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.328 -4.716 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.747 -5.570 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.424 -6.961 2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.950 -7.390 1.595 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.958 -5.690 3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.299 -8.322 3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.866 -8.712 5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.407 -6.196 5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.235 -7.514 6.438 1.00 0.00 H new ATOM 796 N ALA A 56 -11.281 -2.136 1.879 1.00 0.00 N ATOM 797 CA ALA A 56 -9.930 -1.599 1.979 1.00 0.00 C ATOM 798 C ALA A 56 -9.935 -0.219 2.627 1.00 0.00 C ATOM 799 O ALA A 56 -10.956 0.470 2.638 1.00 0.00 O ATOM 800 CB ALA A 56 -9.283 -1.536 0.604 1.00 0.00 C ATOM 0 H ALA A 56 -11.813 -1.793 1.079 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.346 -2.267 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.274 -1.133 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.236 -2.538 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.874 -0.892 -0.047 1.00 0.00 H new ATOM 806 N THR A 57 -8.788 0.181 3.168 1.00 0.00 N ATOM 807 CA THR A 57 -8.661 1.478 3.819 1.00 0.00 C ATOM 808 C THR A 57 -7.219 1.744 4.238 1.00 0.00 C ATOM 809 O THR A 57 -6.364 0.863 4.149 1.00 0.00 O ATOM 810 CB THR A 57 -9.570 1.576 5.059 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.721 2.945 5.449 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.994 0.774 6.217 1.00 0.00 C ATOM 0 H THR A 57 -7.933 -0.376 3.168 1.00 0.00 H new ATOM 0 HA THR A 57 -8.970 2.228 3.091 1.00 0.00 H new ATOM 0 HB THR A 57 -10.545 1.163 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.302 2.999 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.653 0.858 7.081 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.908 -0.273 5.927 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.008 1.162 6.473 1.00 0.00 H new ATOM 820 N ILE A 58 -6.957 2.964 4.696 1.00 0.00 N ATOM 821 CA ILE A 58 -5.618 3.344 5.130 1.00 0.00 C ATOM 822 C ILE A 58 -5.648 3.964 6.523 1.00 0.00 C ATOM 823 O ILE A 58 -6.293 4.988 6.743 1.00 0.00 O ATOM 824 CB ILE A 58 -4.971 4.341 4.151 1.00 0.00 C ATOM 825 CG1 ILE A 58 -4.765 3.686 2.784 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.648 4.846 4.707 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.939 3.861 1.846 1.00 0.00 C ATOM 0 H ILE A 58 -7.653 3.705 4.776 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.022 2.431 5.153 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.640 5.193 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.873 4.107 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.579 2.621 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.203 5.550 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.821 5.346 5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.971 4.005 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.722 3.371 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.829 3.415 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.113 4.923 1.675 1.00 0.00 H new ATOM 839 N GLN A 59 -4.943 3.336 7.459 1.00 0.00 N ATOM 840 CA GLN A 59 -4.888 3.827 8.831 1.00 0.00 C ATOM 841 C GLN A 59 -4.163 5.167 8.901 1.00 0.00 C ATOM 842 O GLN A 59 -3.769 5.724 7.877 1.00 0.00 O ATOM 843 CB GLN A 59 -4.189 2.807 9.732 1.00 0.00 C ATOM 844 CG GLN A 59 -4.948 1.497 9.871 1.00 0.00 C ATOM 845 CD GLN A 59 -5.126 0.783 8.546 1.00 0.00 C ATOM 846 OE1 GLN A 59 -4.312 -0.059 8.167 1.00 0.00 O ATOM 847 NE2 GLN A 59 -6.196 1.116 7.833 1.00 0.00 N ATOM 0 H GLN A 59 -4.403 2.487 7.292 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.910 3.970 9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.196 2.601 9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.050 3.243 10.721 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.415 0.844 10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.927 1.693 10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.845 1.819 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.369 0.668 6.933 1.00 0.00 H new ATOM 856 N GLU A 60 -3.990 5.678 10.116 1.00 0.00 N ATOM 857 CA GLU A 60 -3.313 6.953 10.318 1.00 0.00 C ATOM 858 C GLU A 60 -1.835 6.849 9.951 1.00 0.00 C ATOM 859 O GLU A 60 -1.205 7.841 9.587 1.00 0.00 O ATOM 860 CB GLU A 60 -3.458 7.408 11.772 1.00 0.00 C ATOM 861 CG GLU A 60 -4.784 8.088 12.068 1.00 0.00 C ATOM 862 CD GLU A 60 -5.127 8.080 13.545 1.00 0.00 C ATOM 863 OE1 GLU A 60 -4.809 7.081 14.223 1.00 0.00 O ATOM 864 OE2 GLU A 60 -5.713 9.075 14.022 1.00 0.00 O ATOM 0 H GLU A 60 -4.309 5.229 10.974 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.780 7.691 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.349 6.544 12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.646 8.094 12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.747 9.118 11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.577 7.587 11.512 1.00 0.00 H new ATOM 871 N GLN A 61 -1.291 5.641 10.051 1.00 0.00 N ATOM 872 CA GLN A 61 0.112 5.407 9.731 1.00 0.00 C ATOM 873 C GLN A 61 0.281 5.035 8.261 1.00 0.00 C ATOM 874 O GLN A 61 1.080 4.165 7.918 1.00 0.00 O ATOM 875 CB GLN A 61 0.682 4.298 10.618 1.00 0.00 C ATOM 876 CG GLN A 61 1.168 4.792 11.971 1.00 0.00 C ATOM 877 CD GLN A 61 1.329 3.670 12.978 1.00 0.00 C ATOM 878 OE1 GLN A 61 0.608 3.606 13.974 1.00 0.00 O ATOM 879 NE2 GLN A 61 2.279 2.777 12.723 1.00 0.00 N ATOM 0 H GLN A 61 -1.800 4.809 10.351 1.00 0.00 H new ATOM 0 HA GLN A 61 0.660 6.331 9.919 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.083 3.537 10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.510 3.817 10.097 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.123 5.302 11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.463 5.526 12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.854 2.869 11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.434 2.000 13.365 1.00 0.00 H new ATOM 888 N GLY A 62 -0.479 5.701 7.397 1.00 0.00 N ATOM 889 CA GLY A 62 -0.398 5.426 5.974 1.00 0.00 C ATOM 890 C GLY A 62 -0.181 3.955 5.679 1.00 0.00 C ATOM 891 O GLY A 62 0.647 3.597 4.841 1.00 0.00 O ATOM 0 H GLY A 62 -1.149 6.425 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.316 5.759 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.418 6.004 5.541 1.00 0.00 H new ATOM 895 N THR A 63 -0.927 3.098 6.370 1.00 0.00 N ATOM 896 CA THR A 63 -0.810 1.658 6.181 1.00 0.00 C ATOM 897 C THR A 63 -2.000 1.107 5.403 1.00 0.00 C ATOM 898 O THR A 63 -3.132 1.122 5.888 1.00 0.00 O ATOM 899 CB THR A 63 -0.706 0.920 7.529 1.00 0.00 C ATOM 900 OG1 THR A 63 0.584 1.138 8.109 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.941 -0.572 7.349 1.00 0.00 C ATOM 0 H THR A 63 -1.619 3.377 7.066 1.00 0.00 H new ATOM 0 HA THR A 63 0.104 1.488 5.611 1.00 0.00 H new ATOM 0 HB THR A 63 -1.474 1.315 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.808 2.091 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.862 -1.072 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.936 -0.736 6.935 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.193 -0.979 6.668 1.00 0.00 H new ATOM 909 N LEU A 64 -1.737 0.622 4.195 1.00 0.00 N ATOM 910 CA LEU A 64 -2.788 0.065 3.349 1.00 0.00 C ATOM 911 C LEU A 64 -3.246 -1.292 3.872 1.00 0.00 C ATOM 912 O LEU A 64 -2.496 -2.268 3.831 1.00 0.00 O ATOM 913 CB LEU A 64 -2.291 -0.071 1.909 1.00 0.00 C ATOM 914 CG LEU A 64 -3.353 0.065 0.817 1.00 0.00 C ATOM 915 CD1 LEU A 64 -2.827 -0.464 -0.508 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.626 -0.666 1.217 1.00 0.00 C ATOM 0 H LEU A 64 -0.806 0.603 3.779 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.638 0.747 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.524 0.684 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.811 -1.044 1.802 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.588 1.122 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.596 -0.359 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.944 0.103 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.563 -1.516 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.370 -0.558 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.407 -1.723 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.014 -0.241 2.143 1.00 0.00 H new ATOM 928 N GLN A 65 -4.480 -1.347 4.361 1.00 0.00 N ATOM 929 CA GLN A 65 -5.038 -2.586 4.891 1.00 0.00 C ATOM 930 C GLN A 65 -6.167 -3.098 4.002 1.00 0.00 C ATOM 931 O GLN A 65 -7.140 -2.388 3.748 1.00 0.00 O ATOM 932 CB GLN A 65 -5.552 -2.370 6.315 1.00 0.00 C ATOM 933 CG GLN A 65 -6.127 -3.626 6.951 1.00 0.00 C ATOM 934 CD GLN A 65 -6.753 -3.360 8.305 1.00 0.00 C ATOM 935 OE1 GLN A 65 -7.888 -3.997 8.569 1.00 0.00 O flip ATOM 936 NE2 GLN A 65 -6.222 -2.591 9.107 1.00 0.00 N flip ATOM 0 H GLN A 65 -5.113 -0.548 4.401 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.246 -3.334 4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.735 -2.000 6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.319 -1.595 6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.877 -4.055 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.336 -4.368 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.350 -2.122 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.655 -2.423 10.015 1.00 0.00 H new ATOM 945 N ILE A 66 -6.029 -4.334 3.533 1.00 0.00 N ATOM 946 CA ILE A 66 -7.038 -4.940 2.674 1.00 0.00 C ATOM 947 C ILE A 66 -7.407 -6.337 3.161 1.00 0.00 C ATOM 948 O ILE A 66 -6.544 -7.200 3.323 1.00 0.00 O ATOM 949 CB ILE A 66 -6.554 -5.030 1.214 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.748 -3.783 0.844 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.738 -5.200 0.274 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.005 -3.912 -0.468 1.00 0.00 C ATOM 0 H ILE A 66 -5.229 -4.934 3.733 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.917 -4.297 2.718 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.907 -5.901 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.422 -2.928 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.032 -3.574 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.381 -5.262 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.275 -6.114 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.408 -4.346 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.456 -2.992 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.306 -4.747 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.717 -4.091 -1.273 1.00 0.00 H new ATOM 964 N LYS A 67 -8.697 -6.555 3.394 1.00 0.00 N ATOM 965 CA LYS A 67 -9.184 -7.848 3.860 1.00 0.00 C ATOM 966 C LYS A 67 -9.864 -8.613 2.730 1.00 0.00 C ATOM 967 O LYS A 67 -9.976 -8.116 1.610 1.00 0.00 O ATOM 968 CB LYS A 67 -10.161 -7.659 5.022 1.00 0.00 C ATOM 969 CG LYS A 67 -9.549 -6.960 6.224 1.00 0.00 C ATOM 970 CD LYS A 67 -10.387 -7.167 7.475 1.00 0.00 C ATOM 971 CE LYS A 67 -10.079 -6.116 8.531 1.00 0.00 C ATOM 972 NZ LYS A 67 -10.871 -6.331 9.774 1.00 0.00 N ATOM 0 H LYS A 67 -9.425 -5.852 3.267 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.328 -8.428 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.018 -7.082 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.537 -8.634 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.541 -7.340 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.458 -5.893 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.445 -7.126 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.197 -8.160 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.016 -6.141 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.293 -5.125 8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.633 -5.595 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.886 -6.282 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.648 -7.266 10.170 1.00 0.00 H new ATOM 986 N ASN A 68 -10.318 -9.825 3.031 1.00 0.00 N ATOM 987 CA ASN A 68 -10.988 -10.659 2.040 1.00 0.00 C ATOM 988 C ASN A 68 -10.270 -10.590 0.696 1.00 0.00 C ATOM 989 O ASN A 68 -10.902 -10.463 -0.354 1.00 0.00 O ATOM 990 CB ASN A 68 -12.445 -10.221 1.875 1.00 0.00 C ATOM 991 CG ASN A 68 -13.373 -10.919 2.851 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.741 -10.358 3.883 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.755 -12.148 2.527 1.00 0.00 N ATOM 0 H ASN A 68 -10.234 -10.252 3.954 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.963 -11.690 2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.516 -9.143 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.771 -10.429 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.379 -12.667 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.424 -12.573 1.661 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.944 -10.675 0.735 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.138 -10.623 -0.480 1.00 0.00 C ATOM 1002 C LEU A 69 -8.674 -11.590 -1.531 1.00 0.00 C ATOM 1003 O LEU A 69 -9.418 -12.518 -1.213 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.679 -10.955 -0.162 1.00 0.00 C ATOM 1005 CG LEU A 69 -6.036 -10.143 0.962 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.876 -10.909 1.578 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.569 -8.790 0.444 1.00 0.00 C ATOM 0 H LEU A 69 -8.405 -10.780 1.594 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.195 -9.611 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.616 -12.012 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.089 -10.814 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.785 -9.974 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.431 -10.315 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.239 -11.852 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.126 -11.110 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.114 -8.226 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.836 -8.937 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.422 -8.236 0.052 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.289 -11.368 -2.783 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.730 -12.220 -3.881 1.00 0.00 C ATOM 1021 C ARG A 70 -7.613 -12.414 -4.902 1.00 0.00 C ATOM 1022 O ARG A 70 -6.779 -11.529 -5.099 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.959 -11.615 -4.563 1.00 0.00 C ATOM 1024 CG ARG A 70 -9.759 -10.178 -5.016 1.00 0.00 C ATOM 1025 CD ARG A 70 -11.071 -9.410 -5.029 1.00 0.00 C ATOM 1026 NE ARG A 70 -11.059 -8.323 -6.004 1.00 0.00 N ATOM 1027 CZ ARG A 70 -12.053 -7.454 -6.147 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -13.132 -7.544 -5.382 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -11.969 -6.492 -7.057 1.00 0.00 N ATOM 0 H ARG A 70 -7.672 -10.605 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.994 -13.193 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.222 -12.226 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.803 -11.656 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.052 -9.681 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.320 -10.168 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.889 -10.093 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.263 -9.004 -4.036 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.243 -8.226 -6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.200 -8.282 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.894 -6.875 -5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.140 -6.419 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.733 -5.825 -7.166 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.602 -13.576 -5.546 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.588 -13.885 -6.546 1.00 0.00 C ATOM 1045 C ILE A 71 -6.424 -12.737 -7.536 1.00 0.00 C ATOM 1046 O ILE A 71 -5.393 -12.616 -8.197 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.934 -15.170 -7.321 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -7.134 -16.338 -6.352 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.840 -15.493 -8.328 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.930 -16.611 -5.478 1.00 0.00 C ATOM 0 H ILE A 71 -8.284 -14.319 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.652 -14.035 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.865 -15.009 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.994 -16.129 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.370 -17.236 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.099 -16.404 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.741 -14.669 -9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.895 -15.638 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.143 -17.451 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.072 -16.852 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.706 -15.727 -4.881 1.00 0.00 H new ATOM 1062 N SER A 72 -7.447 -11.894 -7.631 1.00 0.00 N ATOM 1063 CA SER A 72 -7.418 -10.756 -8.542 1.00 0.00 C ATOM 1064 C SER A 72 -6.620 -9.601 -7.943 1.00 0.00 C ATOM 1065 O SER A 72 -5.896 -8.900 -8.650 1.00 0.00 O ATOM 1066 CB SER A 72 -8.841 -10.295 -8.861 1.00 0.00 C ATOM 1067 OG SER A 72 -8.912 -9.717 -10.153 1.00 0.00 O ATOM 0 H SER A 72 -8.306 -11.978 -7.088 1.00 0.00 H new ATOM 0 HA SER A 72 -6.931 -11.073 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.523 -11.143 -8.800 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.167 -9.569 -8.116 1.00 0.00 H new ATOM 0 HG SER A 72 -9.832 -9.432 -10.334 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.758 -9.411 -6.635 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.050 -8.343 -5.939 1.00 0.00 C ATOM 1075 C ASP A 73 -4.594 -8.272 -6.390 1.00 0.00 C ATOM 1076 O ASP A 73 -4.021 -7.189 -6.509 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.119 -8.557 -4.427 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.358 -7.940 -3.810 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.928 -7.013 -4.423 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.760 -8.384 -2.714 1.00 0.00 O ATOM 0 H ASP A 73 -7.354 -9.983 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.534 -7.398 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.104 -9.626 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.232 -8.127 -3.961 1.00 0.00 H new ATOM 1085 N THR A 74 -4.000 -9.435 -6.638 1.00 0.00 N ATOM 1086 CA THR A 74 -2.611 -9.506 -7.073 1.00 0.00 C ATOM 1087 C THR A 74 -2.300 -8.423 -8.099 1.00 0.00 C ATOM 1088 O THR A 74 -2.830 -8.435 -9.209 1.00 0.00 O ATOM 1089 CB THR A 74 -2.282 -10.883 -7.681 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.544 -11.916 -6.725 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.826 -10.947 -8.119 1.00 0.00 C ATOM 0 H THR A 74 -4.460 -10.341 -6.545 1.00 0.00 H new ATOM 0 HA THR A 74 -1.995 -9.351 -6.187 1.00 0.00 H new ATOM 0 HB THR A 74 -2.915 -11.030 -8.556 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.397 -12.350 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.617 -11.928 -8.545 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.637 -10.178 -8.868 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.179 -10.780 -7.258 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.436 -7.486 -7.720 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.069 -6.408 -8.620 1.00 0.00 C ATOM 1101 C GLY A 75 0.148 -5.641 -8.141 1.00 0.00 C ATOM 1102 O GLY A 75 0.797 -6.034 -7.171 1.00 0.00 O ATOM 0 H GLY A 75 -0.984 -7.454 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.870 -6.818 -9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.910 -5.722 -8.722 1.00 0.00 H new ATOM 1106 N THR A 76 0.461 -4.544 -8.823 1.00 0.00 N ATOM 1107 CA THR A 76 1.609 -3.722 -8.464 1.00 0.00 C ATOM 1108 C THR A 76 1.175 -2.465 -7.719 1.00 0.00 C ATOM 1109 O THR A 76 0.498 -1.602 -8.279 1.00 0.00 O ATOM 1110 CB THR A 76 2.419 -3.313 -9.709 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.748 -4.472 -10.482 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.694 -2.585 -9.310 1.00 0.00 C ATOM 0 H THR A 76 -0.065 -4.204 -9.628 1.00 0.00 H new ATOM 0 HA THR A 76 2.239 -4.328 -7.812 1.00 0.00 H new ATOM 0 HB THR A 76 1.807 -2.639 -10.308 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.261 -4.203 -11.272 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.249 -2.306 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.439 -1.687 -8.747 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.308 -3.239 -8.691 1.00 0.00 H new ATOM 1120 N TYR A 77 1.567 -2.367 -6.453 1.00 0.00 N ATOM 1121 CA TYR A 77 1.216 -1.216 -5.631 1.00 0.00 C ATOM 1122 C TYR A 77 2.260 -0.111 -5.766 1.00 0.00 C ATOM 1123 O TYR A 77 3.459 -0.380 -5.855 1.00 0.00 O ATOM 1124 CB TYR A 77 1.084 -1.632 -4.165 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.236 -2.293 -3.839 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.387 -1.536 -3.655 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.333 -3.673 -3.716 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -2.596 -2.135 -3.357 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.538 -4.281 -3.419 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.666 -3.508 -3.241 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.867 -4.110 -2.944 1.00 0.00 O ATOM 0 H TYR A 77 2.128 -3.071 -5.974 1.00 0.00 H new ATOM 0 HA TYR A 77 0.258 -0.830 -5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.895 -2.317 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.205 -0.752 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.336 -0.461 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.548 -4.281 -3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.481 -1.532 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.596 -5.355 -3.327 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.592 -3.457 -3.036 1.00 0.00 H new ATOM 1141 N THR A 78 1.796 1.134 -5.780 1.00 0.00 N ATOM 1142 CA THR A 78 2.687 2.281 -5.904 1.00 0.00 C ATOM 1143 C THR A 78 2.350 3.353 -4.874 1.00 0.00 C ATOM 1144 O THR A 78 1.566 4.264 -5.145 1.00 0.00 O ATOM 1145 CB THR A 78 2.615 2.898 -7.313 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.993 1.925 -8.294 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.525 4.112 -7.420 1.00 0.00 C ATOM 0 H THR A 78 0.807 1.374 -5.707 1.00 0.00 H new ATOM 0 HA THR A 78 3.699 1.916 -5.726 1.00 0.00 H new ATOM 0 HB THR A 78 1.588 3.216 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.943 2.325 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.457 4.530 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.217 4.863 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.554 3.814 -7.220 1.00 0.00 H new ATOM 1155 N CYS A 79 2.947 3.241 -3.693 1.00 0.00 N ATOM 1156 CA CYS A 79 2.711 4.201 -2.621 1.00 0.00 C ATOM 1157 C CYS A 79 3.211 5.588 -3.014 1.00 0.00 C ATOM 1158 O CYS A 79 4.412 5.805 -3.171 1.00 0.00 O ATOM 1159 CB CYS A 79 3.402 3.743 -1.336 1.00 0.00 C ATOM 1160 SG CYS A 79 2.761 4.533 0.175 1.00 0.00 S ATOM 0 H CYS A 79 3.599 2.494 -3.453 1.00 0.00 H new ATOM 0 HA CYS A 79 1.636 4.257 -2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.293 2.663 -1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.469 3.950 -1.417 1.00 0.00 H new ATOM 1165 N VAL A 80 2.280 6.524 -3.172 1.00 0.00 N ATOM 1166 CA VAL A 80 2.626 7.891 -3.545 1.00 0.00 C ATOM 1167 C VAL A 80 2.449 8.843 -2.367 1.00 0.00 C ATOM 1168 O VAL A 80 1.539 8.679 -1.555 1.00 0.00 O ATOM 1169 CB VAL A 80 1.767 8.385 -4.724 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.176 9.792 -5.130 1.00 0.00 C ATOM 1171 CG2 VAL A 80 1.879 7.428 -5.901 1.00 0.00 C ATOM 0 H VAL A 80 1.281 6.361 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 80 3.673 7.882 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 80 0.725 8.413 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.558 10.124 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.040 10.468 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.224 9.794 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.266 7.792 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.919 7.366 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.533 6.439 -5.600 1.00 0.00 H new ATOM 1181 N ALA A 81 3.324 9.839 -2.283 1.00 0.00 N ATOM 1182 CA ALA A 81 3.263 10.820 -1.206 1.00 0.00 C ATOM 1183 C ALA A 81 3.344 12.241 -1.753 1.00 0.00 C ATOM 1184 O ALA A 81 4.430 12.809 -1.879 1.00 0.00 O ATOM 1185 CB ALA A 81 4.381 10.574 -0.204 1.00 0.00 C ATOM 0 H ALA A 81 4.083 9.988 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 81 2.305 10.707 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.323 11.314 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.277 9.575 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.345 10.657 -0.706 1.00 0.00 H new ATOM 1191 N THR A 82 2.188 12.812 -2.079 1.00 0.00 N ATOM 1192 CA THR A 82 2.128 14.166 -2.614 1.00 0.00 C ATOM 1193 C THR A 82 2.065 15.198 -1.494 1.00 0.00 C ATOM 1194 O THR A 82 1.452 14.962 -0.453 1.00 0.00 O ATOM 1195 CB THR A 82 0.909 14.352 -3.538 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.836 13.272 -4.475 1.00 0.00 O ATOM 1197 CG2 THR A 82 0.993 15.674 -4.285 1.00 0.00 C ATOM 0 H THR A 82 1.280 12.357 -1.981 1.00 0.00 H new ATOM 0 HA THR A 82 3.039 14.317 -3.193 1.00 0.00 H new ATOM 0 HB THR A 82 0.010 14.359 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.058 13.396 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.122 15.783 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.019 16.495 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.899 15.692 -4.891 1.00 0.00 H new ATOM 1205 N SER A 83 2.702 16.344 -1.715 1.00 0.00 N ATOM 1206 CA SER A 83 2.720 17.412 -0.722 1.00 0.00 C ATOM 1207 C SER A 83 2.974 18.763 -1.382 1.00 0.00 C ATOM 1208 O SER A 83 3.497 18.835 -2.494 1.00 0.00 O ATOM 1209 CB SER A 83 3.793 17.137 0.333 1.00 0.00 C ATOM 1210 OG SER A 83 5.090 17.174 -0.236 1.00 0.00 O ATOM 0 H SER A 83 3.212 16.556 -2.572 1.00 0.00 H new ATOM 0 HA SER A 83 1.744 17.442 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.721 17.877 1.130 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.619 16.161 0.787 1.00 0.00 H new ATOM 0 HG SER A 83 5.757 16.997 0.459 1.00 0.00 H new ATOM 1216 N SER A 84 2.600 19.834 -0.689 1.00 0.00 N ATOM 1217 CA SER A 84 2.783 21.184 -1.208 1.00 0.00 C ATOM 1218 C SER A 84 4.215 21.390 -1.693 1.00 0.00 C ATOM 1219 O SER A 84 4.462 22.149 -2.629 1.00 0.00 O ATOM 1220 CB SER A 84 2.443 22.217 -0.132 1.00 0.00 C ATOM 1221 OG SER A 84 2.851 23.516 -0.526 1.00 0.00 O ATOM 0 H SER A 84 2.168 19.793 0.234 1.00 0.00 H new ATOM 0 HA SER A 84 2.109 21.316 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.369 22.211 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.932 21.947 0.804 1.00 0.00 H new ATOM 0 HG SER A 84 2.621 24.158 0.178 1.00 0.00 H new ATOM 1227 N SER A 85 5.155 20.707 -1.047 1.00 0.00 N ATOM 1228 CA SER A 85 6.564 20.817 -1.409 1.00 0.00 C ATOM 1229 C SER A 85 6.843 20.104 -2.728 1.00 0.00 C ATOM 1230 O SER A 85 7.136 20.738 -3.740 1.00 0.00 O ATOM 1231 CB SER A 85 7.443 20.231 -0.303 1.00 0.00 C ATOM 1232 OG SER A 85 7.711 21.195 0.701 1.00 0.00 O ATOM 0 H SER A 85 4.967 20.072 -0.271 1.00 0.00 H new ATOM 0 HA SER A 85 6.802 21.874 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.947 19.368 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.381 19.875 -0.730 1.00 0.00 H new ATOM 0 HG SER A 85 8.273 20.795 1.397 1.00 0.00 H new ATOM 1238 N GLY A 86 6.750 18.777 -2.708 1.00 0.00 N ATOM 1239 CA GLY A 86 6.996 17.998 -3.907 1.00 0.00 C ATOM 1240 C GLY A 86 6.123 16.761 -3.984 1.00 0.00 C ATOM 1241 O GLY A 86 4.923 16.824 -3.718 1.00 0.00 O ATOM 0 H GLY A 86 6.509 18.228 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.817 18.620 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.044 17.701 -3.935 1.00 0.00 H new ATOM 1245 N GLU A 87 6.726 15.634 -4.350 1.00 0.00 N ATOM 1246 CA GLU A 87 5.994 14.379 -4.463 1.00 0.00 C ATOM 1247 C GLU A 87 6.951 13.207 -4.665 1.00 0.00 C ATOM 1248 O GLU A 87 8.016 13.356 -5.265 1.00 0.00 O ATOM 1249 CB GLU A 87 5.000 14.445 -5.624 1.00 0.00 C ATOM 1250 CG GLU A 87 4.144 13.198 -5.765 1.00 0.00 C ATOM 1251 CD GLU A 87 3.519 13.071 -7.141 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.749 13.974 -7.528 1.00 0.00 O ATOM 1253 OE2 GLU A 87 3.801 12.068 -7.829 1.00 0.00 O ATOM 0 H GLU A 87 7.719 15.565 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 87 5.446 14.223 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.349 15.308 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.549 14.605 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.755 12.318 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.356 13.216 -5.012 1.00 0.00 H new ATOM 1260 N THR A 88 6.564 12.040 -4.159 1.00 0.00 N ATOM 1261 CA THR A 88 7.387 10.844 -4.282 1.00 0.00 C ATOM 1262 C THR A 88 6.526 9.604 -4.495 1.00 0.00 C ATOM 1263 O THR A 88 5.313 9.636 -4.287 1.00 0.00 O ATOM 1264 CB THR A 88 8.266 10.636 -3.034 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.110 9.493 -3.215 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.407 10.447 -1.793 1.00 0.00 C ATOM 0 H THR A 88 5.686 11.898 -3.660 1.00 0.00 H new ATOM 0 HA THR A 88 8.030 10.991 -5.150 1.00 0.00 H new ATOM 0 HB THR A 88 8.882 11.525 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.667 9.368 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.049 10.302 -0.924 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.787 11.330 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.769 9.573 -1.922 1.00 0.00 H new ATOM 1274 N SER A 89 7.160 8.513 -4.911 1.00 0.00 N ATOM 1275 CA SER A 89 6.451 7.262 -5.156 1.00 0.00 C ATOM 1276 C SER A 89 7.361 6.064 -4.907 1.00 0.00 C ATOM 1277 O SER A 89 8.586 6.185 -4.931 1.00 0.00 O ATOM 1278 CB SER A 89 5.920 7.225 -6.590 1.00 0.00 C ATOM 1279 OG SER A 89 6.983 7.223 -7.528 1.00 0.00 O ATOM 0 H SER A 89 8.164 8.470 -5.086 1.00 0.00 H new ATOM 0 HA SER A 89 5.611 7.207 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.305 6.336 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.278 8.088 -6.766 1.00 0.00 H new ATOM 0 HG SER A 89 6.617 7.197 -8.437 1.00 0.00 H new ATOM 1285 N TRP A 90 6.753 4.907 -4.667 1.00 0.00 N ATOM 1286 CA TRP A 90 7.508 3.685 -4.413 1.00 0.00 C ATOM 1287 C TRP A 90 7.070 2.569 -5.355 1.00 0.00 C ATOM 1288 O TRP A 90 6.152 2.745 -6.156 1.00 0.00 O ATOM 1289 CB TRP A 90 7.328 3.243 -2.960 1.00 0.00 C ATOM 1290 CG TRP A 90 8.500 2.478 -2.423 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.593 1.124 -2.269 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.743 3.022 -1.967 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.820 0.794 -1.744 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.544 1.941 -1.551 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.258 4.318 -1.872 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.830 2.118 -1.048 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.535 4.492 -1.372 1.00 0.00 C ATOM 1298 CH2 TRP A 90 12.309 3.397 -0.966 1.00 0.00 C ATOM 0 H TRP A 90 5.740 4.790 -4.643 1.00 0.00 H new ATOM 0 HA TRP A 90 8.562 3.894 -4.594 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.161 4.122 -2.338 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.434 2.625 -2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.817 0.417 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 90 10.139 -0.151 -1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.669 5.168 -2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.428 1.276 -0.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.943 5.489 -1.293 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.304 3.566 -0.581 1.00 0.00 H new ATOM 1309 N SER A 91 7.733 1.421 -5.254 1.00 0.00 N ATOM 1310 CA SER A 91 7.413 0.278 -6.100 1.00 0.00 C ATOM 1311 C SER A 91 7.243 -0.987 -5.263 1.00 0.00 C ATOM 1312 O SER A 91 8.010 -1.236 -4.333 1.00 0.00 O ATOM 1313 CB SER A 91 8.511 0.067 -7.145 1.00 0.00 C ATOM 1314 OG SER A 91 9.780 -0.077 -6.530 1.00 0.00 O ATOM 0 H SER A 91 8.494 1.258 -4.595 1.00 0.00 H new ATOM 0 HA SER A 91 6.472 0.486 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.288 -0.820 -7.737 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.530 0.913 -7.832 1.00 0.00 H new ATOM 0 HG SER A 91 10.464 -0.212 -7.219 1.00 0.00 H new ATOM 1320 N ALA A 92 6.233 -1.781 -5.601 1.00 0.00 N ATOM 1321 CA ALA A 92 5.962 -3.020 -4.882 1.00 0.00 C ATOM 1322 C ALA A 92 5.025 -3.922 -5.679 1.00 0.00 C ATOM 1323 O ALA A 92 4.327 -3.465 -6.584 1.00 0.00 O ATOM 1324 CB ALA A 92 5.370 -2.718 -3.514 1.00 0.00 C ATOM 0 H ALA A 92 5.589 -1.589 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 92 6.906 -3.548 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.173 -3.652 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.074 -2.119 -2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.438 -2.166 -3.635 1.00 0.00 H new ATOM 1330 N VAL A 93 5.015 -5.206 -5.336 1.00 0.00 N ATOM 1331 CA VAL A 93 4.163 -6.173 -6.018 1.00 0.00 C ATOM 1332 C VAL A 93 3.708 -7.273 -5.066 1.00 0.00 C ATOM 1333 O VAL A 93 4.518 -8.060 -4.575 1.00 0.00 O ATOM 1334 CB VAL A 93 4.889 -6.814 -7.215 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.981 -7.810 -7.920 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.371 -5.742 -8.182 1.00 0.00 C ATOM 0 H VAL A 93 5.587 -5.601 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 93 3.292 -5.627 -6.380 1.00 0.00 H new ATOM 0 HB VAL A 93 5.760 -7.354 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.512 -8.253 -8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.690 -8.595 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.089 -7.297 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.882 -6.213 -9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.517 -5.173 -8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.060 -5.072 -7.668 1.00 0.00 H new ATOM 1346 N LEU A 94 2.405 -7.323 -4.808 1.00 0.00 N ATOM 1347 CA LEU A 94 1.840 -8.328 -3.914 1.00 0.00 C ATOM 1348 C LEU A 94 1.500 -9.605 -4.676 1.00 0.00 C ATOM 1349 O LEU A 94 1.096 -9.557 -5.838 1.00 0.00 O ATOM 1350 CB LEU A 94 0.587 -7.781 -3.228 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.199 -8.777 -2.375 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.620 -9.213 -1.170 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.523 -8.171 -1.931 1.00 0.00 C ATOM 0 H LEU A 94 1.721 -6.679 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 94 2.587 -8.567 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.880 -6.943 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.079 -7.384 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.410 -9.657 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.044 -9.922 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.541 -9.688 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.863 -8.342 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.069 -8.894 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.333 -7.274 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.116 -7.911 -2.808 1.00 0.00 H new ATOM 1365 N ASP A 95 1.665 -10.744 -4.013 1.00 0.00 N ATOM 1366 CA ASP A 95 1.372 -12.035 -4.626 1.00 0.00 C ATOM 1367 C ASP A 95 0.395 -12.834 -3.770 1.00 0.00 C ATOM 1368 O ASP A 95 0.762 -13.368 -2.724 1.00 0.00 O ATOM 1369 CB ASP A 95 2.662 -12.831 -4.828 1.00 0.00 C ATOM 1370 CG ASP A 95 2.576 -13.783 -6.006 1.00 0.00 C ATOM 1371 OD1 ASP A 95 1.487 -14.349 -6.232 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.599 -13.962 -6.700 1.00 0.00 O ATOM 0 H ASP A 95 2.000 -10.800 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 95 0.911 -11.853 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.491 -12.141 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.882 -13.397 -3.923 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.853 -12.911 -4.222 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.884 -13.645 -3.498 1.00 0.00 C ATOM 1379 C VAL A 96 -2.055 -15.052 -4.061 1.00 0.00 C ATOM 1380 O VAL A 96 -2.437 -15.228 -5.219 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.238 -12.914 -3.554 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.316 -13.729 -2.856 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.121 -11.529 -2.935 1.00 0.00 C ATOM 0 H VAL A 96 -1.174 -12.474 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.557 -13.709 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.525 -12.798 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.265 -13.196 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.417 -14.696 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.040 -13.880 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.087 -11.026 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.811 -11.621 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.381 -10.946 -3.484 1.00 0.00 H new ATOM 1393 N THR A 97 -1.771 -16.053 -3.234 1.00 0.00 N ATOM 1394 CA THR A 97 -1.893 -17.445 -3.648 1.00 0.00 C ATOM 1395 C THR A 97 -3.021 -18.145 -2.900 1.00 0.00 C ATOM 1396 O THR A 97 -3.495 -17.656 -1.875 1.00 0.00 O ATOM 1397 CB THR A 97 -0.581 -18.217 -3.415 1.00 0.00 C ATOM 1398 OG1 THR A 97 -0.214 -18.153 -2.033 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.541 -17.649 -4.270 1.00 0.00 C ATOM 0 H THR A 97 -1.455 -15.925 -2.273 1.00 0.00 H new ATOM 0 HA THR A 97 -2.118 -17.439 -4.715 1.00 0.00 H new ATOM 0 HB THR A 97 -0.742 -19.257 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.702 -17.815 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.457 -18.211 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.271 -17.727 -5.323 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.700 -16.602 -4.013 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.446 -19.293 -3.418 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.520 -20.060 -2.797 1.00 0.00 C ATOM 1409 C GLU A 98 -4.010 -20.820 -1.576 1.00 0.00 C ATOM 1410 O GLU A 98 -4.757 -21.069 -0.629 1.00 0.00 O ATOM 1411 CB GLU A 98 -5.126 -21.039 -3.804 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.789 -20.360 -4.990 1.00 0.00 C ATOM 1413 CD GLU A 98 -5.933 -21.281 -6.186 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -4.936 -21.938 -6.552 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.043 -21.346 -6.754 1.00 0.00 O ATOM 0 H GLU A 98 -3.063 -19.712 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.290 -19.361 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.343 -21.704 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.862 -21.662 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.774 -20.000 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.204 -19.487 -5.277 1.00 0.00 H new ATOM 1422 N SER A 99 -2.732 -21.186 -1.605 1.00 0.00 N ATOM 1423 CA SER A 99 -2.123 -21.922 -0.504 1.00 0.00 C ATOM 1424 C SER A 99 -0.829 -21.250 -0.052 1.00 0.00 C ATOM 1425 O SER A 99 0.176 -21.915 0.194 1.00 0.00 O ATOM 1426 CB SER A 99 -1.841 -23.367 -0.921 1.00 0.00 C ATOM 1427 OG SER A 99 -1.815 -24.227 0.205 1.00 0.00 O ATOM 0 H SER A 99 -2.099 -20.985 -2.379 1.00 0.00 H new ATOM 0 HA SER A 99 -2.824 -21.923 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.606 -23.703 -1.621 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.886 -23.418 -1.444 1.00 0.00 H new ATOM 0 HG SER A 99 -1.635 -25.145 -0.088 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.864 -19.925 0.055 1.00 0.00 N ATOM 1434 CA GLY A 100 0.310 -19.184 0.476 1.00 0.00 C ATOM 1435 C GLY A 100 0.936 -19.755 1.733 1.00 0.00 C ATOM 1436 O GLY A 100 2.102 -19.491 2.029 1.00 0.00 O ATOM 0 H GLY A 100 -1.684 -19.352 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.046 -19.189 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.036 -18.144 0.651 1.00 0.00 H new TER 1440 GLY A 100