USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=30 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 55 ASN : amide:sc= -1.12! X(o=-1.1!,f=-1.2) USER MOD Set 1.2: A 58 SER OG : rot 10:sc= 0.0624 USER MOD Set 2.1: A 45 THR OG1 : rot 38:sc= 0.514 USER MOD Set 2.2: A 74 THR OG1 : rot -150:sc= -0.801 USER MOD Set 2.3: A 88 SER OG : rot -85:sc= 0.333 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.086 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.516 K(o=0.52,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -168:sc= -1.89! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -150:sc= -0.747 USER MOD Single : A 32 SER OG : rot 75:sc= 0.992 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 33:sc= 0.806 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.0136 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -2.54 (180deg=-2.79!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.774 K(o=-0.77,f=-1.4) USER MOD Single : A 57 ASN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 59 SER OG : rot -43:sc= 1.53 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 165:sc= -0.538 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -3.81! C(o=-3.8!,f=-4.5!) USER MOD Single : A 84 GLN : amide:sc= -0.68 K(o=-0.68,f=-3.8!) USER MOD Single : A 85 SER OG : rot 160:sc= 0.108 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 100:sc=-0.00832 USER MOD Single : A 90 ASN : amide:sc= -0.0971 K(o=-0.097,f=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.740 -5.929 18.621 1.00 0.00 N ATOM 2 CA GLY A 1 20.624 -5.523 17.232 1.00 0.00 C ATOM 3 C GLY A 1 21.974 -5.291 16.582 1.00 0.00 C ATOM 4 O GLY A 1 22.991 -5.191 17.267 1.00 0.00 O ATOM 0 H1 GLY A 1 20.509 -6.939 18.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.713 -5.767 18.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.081 -5.372 19.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.083 -6.289 16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.033 -4.609 17.172 1.00 0.00 H new ATOM 8 N SER A 2 21.983 -5.207 15.255 1.00 0.00 N ATOM 9 CA SER A 2 23.218 -4.991 14.512 1.00 0.00 C ATOM 10 C SER A 2 23.179 -3.659 13.767 1.00 0.00 C ATOM 11 O SER A 2 24.153 -2.907 13.767 1.00 0.00 O ATOM 12 CB SER A 2 23.450 -6.134 13.522 1.00 0.00 C ATOM 13 OG SER A 2 22.451 -6.149 12.517 1.00 0.00 O ATOM 0 H SER A 2 21.149 -5.285 14.673 1.00 0.00 H new ATOM 0 HA SER A 2 24.041 -4.965 15.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.432 -6.027 13.061 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.450 -7.086 14.054 1.00 0.00 H new ATOM 0 HG SER A 2 22.623 -6.887 11.896 1.00 0.00 H new ATOM 19 N SER A 3 22.045 -3.376 13.134 1.00 0.00 N ATOM 20 CA SER A 3 21.878 -2.138 12.382 1.00 0.00 C ATOM 21 C SER A 3 21.401 -1.010 13.292 1.00 0.00 C ATOM 22 O SER A 3 20.638 -1.235 14.230 1.00 0.00 O ATOM 23 CB SER A 3 20.883 -2.341 11.238 1.00 0.00 C ATOM 24 OG SER A 3 19.635 -2.805 11.725 1.00 0.00 O ATOM 0 H SER A 3 21.228 -3.987 13.127 1.00 0.00 H new ATOM 0 HA SER A 3 22.847 -1.861 11.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.742 -1.402 10.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.287 -3.057 10.523 1.00 0.00 H new ATOM 0 HG SER A 3 19.016 -2.925 10.975 1.00 0.00 H new ATOM 30 N GLY A 4 21.858 0.206 13.006 1.00 0.00 N ATOM 31 CA GLY A 4 21.468 1.351 13.807 1.00 0.00 C ATOM 32 C GLY A 4 20.190 1.997 13.312 1.00 0.00 C ATOM 33 O GLY A 4 19.221 2.126 14.061 1.00 0.00 O ATOM 0 H GLY A 4 22.491 0.418 12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.335 1.038 14.843 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.271 2.088 13.797 1.00 0.00 H new ATOM 37 N SER A 5 20.186 2.406 12.047 1.00 0.00 N ATOM 38 CA SER A 5 19.018 3.047 11.454 1.00 0.00 C ATOM 39 C SER A 5 17.922 2.024 11.171 1.00 0.00 C ATOM 40 O SER A 5 18.135 1.055 10.442 1.00 0.00 O ATOM 41 CB SER A 5 19.406 3.766 10.161 1.00 0.00 C ATOM 42 OG SER A 5 20.520 4.618 10.367 1.00 0.00 O ATOM 0 H SER A 5 20.979 2.305 11.413 1.00 0.00 H new ATOM 0 HA SER A 5 18.634 3.777 12.166 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.642 3.033 9.390 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.560 4.349 9.797 1.00 0.00 H new ATOM 0 HG SER A 5 20.750 5.065 9.526 1.00 0.00 H new ATOM 48 N SER A 6 16.748 2.247 11.752 1.00 0.00 N ATOM 49 CA SER A 6 15.618 1.344 11.566 1.00 0.00 C ATOM 50 C SER A 6 14.441 2.072 10.925 1.00 0.00 C ATOM 51 O SER A 6 14.175 3.234 11.229 1.00 0.00 O ATOM 52 CB SER A 6 15.193 0.743 12.907 1.00 0.00 C ATOM 53 OG SER A 6 16.056 -0.314 13.289 1.00 0.00 O ATOM 0 H SER A 6 16.554 3.046 12.356 1.00 0.00 H new ATOM 0 HA SER A 6 15.932 0.541 10.899 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.199 1.517 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.170 0.374 12.836 1.00 0.00 H new ATOM 0 HG SER A 6 15.764 -0.680 14.150 1.00 0.00 H new ATOM 59 N GLY A 7 13.737 1.377 10.036 1.00 0.00 N ATOM 60 CA GLY A 7 12.596 1.972 9.365 1.00 0.00 C ATOM 61 C GLY A 7 12.986 2.707 8.099 1.00 0.00 C ATOM 62 O GLY A 7 12.854 3.928 8.017 1.00 0.00 O ATOM 0 H GLY A 7 13.937 0.413 9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.875 1.192 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.099 2.664 10.045 1.00 0.00 H new ATOM 66 N GLN A 8 13.470 1.963 7.109 1.00 0.00 N ATOM 67 CA GLN A 8 13.883 2.553 5.842 1.00 0.00 C ATOM 68 C GLN A 8 12.881 2.230 4.739 1.00 0.00 C ATOM 69 O GLN A 8 13.263 1.893 3.618 1.00 0.00 O ATOM 70 CB GLN A 8 15.272 2.048 5.449 1.00 0.00 C ATOM 71 CG GLN A 8 16.406 2.769 6.161 1.00 0.00 C ATOM 72 CD GLN A 8 16.519 2.378 7.621 1.00 0.00 C ATOM 73 OE1 GLN A 8 16.200 3.164 8.513 1.00 0.00 O ATOM 74 NE2 GLN A 8 16.976 1.157 7.873 1.00 0.00 N ATOM 0 H GLN A 8 13.585 0.951 7.161 1.00 0.00 H new ATOM 0 HA GLN A 8 13.920 3.635 5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.337 0.982 5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.400 2.162 4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.346 2.548 5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.250 3.845 6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.229 0.538 7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.074 0.838 8.837 1.00 0.00 H new ATOM 83 N ALA A 9 11.596 2.334 5.064 1.00 0.00 N ATOM 84 CA ALA A 9 10.539 2.055 4.100 1.00 0.00 C ATOM 85 C ALA A 9 9.424 3.091 4.192 1.00 0.00 C ATOM 86 O ALA A 9 9.176 3.656 5.257 1.00 0.00 O ATOM 87 CB ALA A 9 9.982 0.656 4.319 1.00 0.00 C ATOM 0 H ALA A 9 11.262 2.609 5.988 1.00 0.00 H new ATOM 0 HA ALA A 9 10.969 2.111 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.193 0.461 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.779 -0.077 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.574 0.581 5.327 1.00 0.00 H new ATOM 93 N ASP A 10 8.756 3.335 3.071 1.00 0.00 N ATOM 94 CA ASP A 10 7.666 4.303 3.025 1.00 0.00 C ATOM 95 C ASP A 10 6.512 3.784 2.173 1.00 0.00 C ATOM 96 O ASP A 10 6.692 3.461 0.999 1.00 0.00 O ATOM 97 CB ASP A 10 8.165 5.639 2.471 1.00 0.00 C ATOM 98 CG ASP A 10 7.318 6.809 2.932 1.00 0.00 C ATOM 99 OD1 ASP A 10 6.093 6.785 2.693 1.00 0.00 O ATOM 100 OD2 ASP A 10 7.881 7.750 3.531 1.00 0.00 O ATOM 0 H ASP A 10 8.950 2.876 2.181 1.00 0.00 H new ATOM 0 HA ASP A 10 7.303 4.453 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.197 5.796 2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.164 5.600 1.382 1.00 0.00 H new ATOM 105 N ALA A 11 5.329 3.706 2.773 1.00 0.00 N ATOM 106 CA ALA A 11 4.146 3.226 2.069 1.00 0.00 C ATOM 107 C ALA A 11 3.235 4.384 1.675 1.00 0.00 C ATOM 108 O ALA A 11 2.011 4.258 1.697 1.00 0.00 O ATOM 109 CB ALA A 11 3.389 2.225 2.929 1.00 0.00 C ATOM 0 H ALA A 11 5.164 3.969 3.745 1.00 0.00 H new ATOM 0 HA ALA A 11 4.474 2.728 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.508 1.875 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.036 1.378 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.080 2.704 3.858 1.00 0.00 H new ATOM 115 N GLY A 12 3.840 5.512 1.316 1.00 0.00 N ATOM 116 CA GLY A 12 3.067 6.676 0.924 1.00 0.00 C ATOM 117 C GLY A 12 2.265 7.254 2.073 1.00 0.00 C ATOM 118 O GLY A 12 2.022 6.592 3.083 1.00 0.00 O ATOM 0 H GLY A 12 4.852 5.641 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.739 7.440 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.391 6.403 0.114 1.00 0.00 H new ATOM 122 N PRO A 13 1.842 8.518 1.928 1.00 0.00 N ATOM 123 CA PRO A 13 1.058 9.213 2.953 1.00 0.00 C ATOM 124 C PRO A 13 -0.354 8.652 3.083 1.00 0.00 C ATOM 125 O PRO A 13 -0.763 7.789 2.306 1.00 0.00 O ATOM 126 CB PRO A 13 1.015 10.658 2.448 1.00 0.00 C ATOM 127 CG PRO A 13 1.193 10.549 0.973 1.00 0.00 C ATOM 128 CD PRO A 13 2.096 9.367 0.751 1.00 0.00 C ATOM 0 HA PRO A 13 1.498 9.106 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.068 11.137 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.805 11.259 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.235 10.407 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.633 11.459 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.858 8.848 -0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.142 9.666 0.690 1.00 0.00 H new ATOM 136 N ASP A 14 -1.094 9.147 4.068 1.00 0.00 N ATOM 137 CA ASP A 14 -2.462 8.696 4.299 1.00 0.00 C ATOM 138 C ASP A 14 -3.204 8.517 2.978 1.00 0.00 C ATOM 139 O ASP A 14 -2.954 9.235 2.010 1.00 0.00 O ATOM 140 CB ASP A 14 -3.208 9.693 5.187 1.00 0.00 C ATOM 141 CG ASP A 14 -3.552 10.975 4.454 1.00 0.00 C ATOM 142 OD1 ASP A 14 -2.626 11.764 4.173 1.00 0.00 O ATOM 143 OD2 ASP A 14 -4.747 11.191 4.164 1.00 0.00 O ATOM 0 H ASP A 14 -0.770 9.861 4.720 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.420 7.732 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.124 9.232 5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.596 9.928 6.058 1.00 0.00 H new ATOM 148 N LYS A 15 -4.118 7.553 2.946 1.00 0.00 N ATOM 149 CA LYS A 15 -4.898 7.278 1.745 1.00 0.00 C ATOM 150 C LYS A 15 -6.389 7.465 2.010 1.00 0.00 C ATOM 151 O LYS A 15 -6.930 6.921 2.972 1.00 0.00 O ATOM 152 CB LYS A 15 -4.632 5.853 1.254 1.00 0.00 C ATOM 153 CG LYS A 15 -3.185 5.605 0.862 1.00 0.00 C ATOM 154 CD LYS A 15 -2.939 5.935 -0.600 1.00 0.00 C ATOM 155 CE LYS A 15 -1.470 6.219 -0.868 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.284 7.140 -2.024 1.00 0.00 N ATOM 0 H LYS A 15 -4.337 6.949 3.738 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.592 7.985 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.913 5.149 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.272 5.648 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.529 6.210 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.930 4.562 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.269 5.103 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.536 6.802 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.017 6.657 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.949 5.282 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.269 7.308 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.694 6.712 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.760 8.044 -1.828 1.00 0.00 H new ATOM 170 N GLU A 16 -7.046 8.236 1.150 1.00 0.00 N ATOM 171 CA GLU A 16 -8.474 8.493 1.292 1.00 0.00 C ATOM 172 C GLU A 16 -9.208 8.231 -0.021 1.00 0.00 C ATOM 173 O GLU A 16 -9.040 8.965 -0.996 1.00 0.00 O ATOM 174 CB GLU A 16 -8.713 9.935 1.743 1.00 0.00 C ATOM 175 CG GLU A 16 -10.067 10.152 2.397 1.00 0.00 C ATOM 176 CD GLU A 16 -10.563 11.578 2.254 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.718 12.498 2.217 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.793 11.775 2.178 1.00 0.00 O ATOM 0 H GLU A 16 -6.613 8.693 0.348 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.865 7.813 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.930 10.222 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.626 10.596 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.794 9.472 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.000 9.899 3.455 1.00 0.00 H new ATOM 185 N LEU A 17 -10.021 7.181 -0.038 1.00 0.00 N ATOM 186 CA LEU A 17 -10.780 6.821 -1.230 1.00 0.00 C ATOM 187 C LEU A 17 -12.269 7.080 -1.026 1.00 0.00 C ATOM 188 O LEU A 17 -12.776 7.009 0.094 1.00 0.00 O ATOM 189 CB LEU A 17 -10.550 5.350 -1.580 1.00 0.00 C ATOM 190 CG LEU A 17 -9.099 4.870 -1.543 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.040 3.356 -1.409 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.354 5.326 -2.789 1.00 0.00 C ATOM 0 H LEU A 17 -10.172 6.564 0.760 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.431 7.443 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.132 4.738 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.946 5.169 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.614 5.310 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.999 3.033 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.536 3.053 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.543 2.896 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.323 4.975 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.840 4.915 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.365 6.415 -2.841 1.00 0.00 H new ATOM 204 N THR A 18 -12.968 7.378 -2.117 1.00 0.00 N ATOM 205 CA THR A 18 -14.399 7.647 -2.059 1.00 0.00 C ATOM 206 C THR A 18 -15.129 6.997 -3.229 1.00 0.00 C ATOM 207 O THR A 18 -14.937 7.381 -4.383 1.00 0.00 O ATOM 208 CB THR A 18 -14.688 9.160 -2.065 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.953 9.803 -1.017 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.174 9.428 -1.886 1.00 0.00 C ATOM 0 H THR A 18 -12.565 7.439 -3.052 1.00 0.00 H new ATOM 0 HA THR A 18 -14.763 7.219 -1.125 1.00 0.00 H new ATOM 0 HB THR A 18 -14.376 9.563 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.141 10.765 -1.028 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.353 10.503 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.728 8.962 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.507 9.011 -0.935 1.00 0.00 H new ATOM 218 N LEU A 19 -15.966 6.012 -2.924 1.00 0.00 N ATOM 219 CA LEU A 19 -16.726 5.309 -3.952 1.00 0.00 C ATOM 220 C LEU A 19 -17.195 6.272 -5.038 1.00 0.00 C ATOM 221 O LEU A 19 -17.293 7.482 -4.829 1.00 0.00 O ATOM 222 CB LEU A 19 -17.930 4.600 -3.328 1.00 0.00 C ATOM 223 CG LEU A 19 -17.662 3.216 -2.737 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.576 2.172 -3.840 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.385 3.227 -1.910 1.00 0.00 C ATOM 0 H LEU A 19 -16.136 5.682 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.071 4.567 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.334 5.237 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.704 4.504 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.493 2.955 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.385 1.193 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.517 2.145 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.765 2.428 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.210 2.233 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.544 3.510 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.485 3.946 -1.096 1.00 0.00 H new ATOM 237 N PRO A 20 -17.494 5.725 -6.225 1.00 0.00 N ATOM 238 CA PRO A 20 -17.381 4.287 -6.486 1.00 0.00 C ATOM 239 C PRO A 20 -15.930 3.817 -6.524 1.00 0.00 C ATOM 240 O PRO A 20 -15.657 2.629 -6.692 1.00 0.00 O ATOM 241 CB PRO A 20 -18.033 4.123 -7.861 1.00 0.00 C ATOM 242 CG PRO A 20 -17.882 5.454 -8.513 1.00 0.00 C ATOM 243 CD PRO A 20 -17.965 6.469 -7.406 1.00 0.00 C ATOM 0 HA PRO A 20 -17.852 3.693 -5.703 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.543 3.340 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.083 3.843 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.929 5.526 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.666 5.618 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.339 7.338 -7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -18.983 6.834 -7.271 1.00 0.00 H new ATOM 251 N VAL A 21 -15.004 4.758 -6.368 1.00 0.00 N ATOM 252 CA VAL A 21 -13.581 4.440 -6.383 1.00 0.00 C ATOM 253 C VAL A 21 -13.262 3.301 -5.420 1.00 0.00 C ATOM 254 O VAL A 21 -13.129 3.513 -4.215 1.00 0.00 O ATOM 255 CB VAL A 21 -12.728 5.667 -6.011 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.253 5.297 -5.965 1.00 0.00 C ATOM 257 CG2 VAL A 21 -12.971 6.802 -6.994 1.00 0.00 C ATOM 0 H VAL A 21 -15.214 5.747 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.336 4.131 -7.399 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.024 6.007 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.665 6.176 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.096 4.518 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.939 4.931 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.360 7.661 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.703 6.476 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.024 7.083 -6.972 1.00 0.00 H new ATOM 267 N ASP A 22 -13.140 2.094 -5.960 1.00 0.00 N ATOM 268 CA ASP A 22 -12.835 0.921 -5.149 1.00 0.00 C ATOM 269 C ASP A 22 -11.461 0.360 -5.501 1.00 0.00 C ATOM 270 O ASP A 22 -11.260 -0.854 -5.515 1.00 0.00 O ATOM 271 CB ASP A 22 -13.904 -0.155 -5.347 1.00 0.00 C ATOM 272 CG ASP A 22 -14.122 -0.493 -6.809 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.205 -1.074 -7.426 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.209 -0.177 -7.335 1.00 0.00 O ATOM 0 H ASP A 22 -13.248 1.902 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.827 1.226 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.612 -1.057 -4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.843 0.186 -4.912 1.00 0.00 H new ATOM 279 N SER A 23 -10.518 1.253 -5.786 1.00 0.00 N ATOM 280 CA SER A 23 -9.164 0.847 -6.143 1.00 0.00 C ATOM 281 C SER A 23 -8.166 1.963 -5.848 1.00 0.00 C ATOM 282 O SER A 23 -8.433 3.136 -6.110 1.00 0.00 O ATOM 283 CB SER A 23 -9.096 0.465 -7.623 1.00 0.00 C ATOM 284 OG SER A 23 -9.644 1.487 -8.438 1.00 0.00 O ATOM 0 H SER A 23 -10.667 2.262 -5.777 1.00 0.00 H new ATOM 0 HA SER A 23 -8.901 -0.021 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.060 0.284 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.639 -0.466 -7.787 1.00 0.00 H new ATOM 0 HG SER A 23 -9.588 1.220 -9.379 1.00 0.00 H new ATOM 290 N THR A 24 -7.014 1.589 -5.299 1.00 0.00 N ATOM 291 CA THR A 24 -5.977 2.557 -4.966 1.00 0.00 C ATOM 292 C THR A 24 -4.588 1.988 -5.234 1.00 0.00 C ATOM 293 O THR A 24 -4.404 0.772 -5.289 1.00 0.00 O ATOM 294 CB THR A 24 -6.065 2.991 -3.490 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.477 4.285 -3.324 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.361 1.988 -2.589 1.00 0.00 C ATOM 0 H THR A 24 -6.776 0.623 -5.076 1.00 0.00 H new ATOM 0 HA THR A 24 -6.141 3.426 -5.603 1.00 0.00 H new ATOM 0 HB THR A 24 -7.117 3.033 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.364 4.473 -2.369 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.436 2.315 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.831 1.010 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.311 1.919 -2.872 1.00 0.00 H new ATOM 304 N THR A 25 -3.612 2.876 -5.400 1.00 0.00 N ATOM 305 CA THR A 25 -2.240 2.462 -5.663 1.00 0.00 C ATOM 306 C THR A 25 -1.337 2.762 -4.471 1.00 0.00 C ATOM 307 O THR A 25 -1.428 3.830 -3.864 1.00 0.00 O ATOM 308 CB THR A 25 -1.671 3.162 -6.911 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.060 4.540 -6.920 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.161 2.483 -8.182 1.00 0.00 C ATOM 0 H THR A 25 -3.747 3.886 -5.357 1.00 0.00 H new ATOM 0 HA THR A 25 -2.263 1.386 -5.837 1.00 0.00 H new ATOM 0 HB THR A 25 -0.584 3.092 -6.876 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.693 4.978 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.746 2.994 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.839 1.442 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.249 2.526 -8.221 1.00 0.00 H new ATOM 318 N LEU A 26 -0.466 1.814 -4.141 1.00 0.00 N ATOM 319 CA LEU A 26 0.454 1.978 -3.022 1.00 0.00 C ATOM 320 C LEU A 26 1.901 1.829 -3.481 1.00 0.00 C ATOM 321 O LEU A 26 2.472 0.740 -3.424 1.00 0.00 O ATOM 322 CB LEU A 26 0.146 0.953 -1.929 1.00 0.00 C ATOM 323 CG LEU A 26 -1.286 0.952 -1.394 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.609 -0.380 -0.735 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.491 2.098 -0.414 1.00 0.00 C ATOM 0 H LEU A 26 -0.378 0.925 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 26 0.321 2.982 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.368 -0.041 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.824 1.127 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.967 1.093 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.632 -0.362 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.504 -1.182 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.922 -0.552 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.516 2.081 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.801 1.989 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.303 3.046 -0.918 1.00 0.00 H new ATOM 337 N ASP A 27 2.489 2.931 -3.933 1.00 0.00 N ATOM 338 CA ASP A 27 3.871 2.925 -4.399 1.00 0.00 C ATOM 339 C ASP A 27 4.841 2.970 -3.222 1.00 0.00 C ATOM 340 O ASP A 27 4.819 3.904 -2.422 1.00 0.00 O ATOM 341 CB ASP A 27 4.124 4.112 -5.329 1.00 0.00 C ATOM 342 CG ASP A 27 4.223 5.425 -4.579 1.00 0.00 C ATOM 343 OD1 ASP A 27 3.512 5.584 -3.565 1.00 0.00 O ATOM 344 OD2 ASP A 27 5.012 6.294 -5.006 1.00 0.00 O ATOM 0 H ASP A 27 2.030 3.840 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 27 4.038 2.000 -4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.047 3.944 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.318 4.175 -6.060 1.00 0.00 H new ATOM 349 N GLY A 28 5.691 1.952 -3.123 1.00 0.00 N ATOM 350 CA GLY A 28 6.657 1.894 -2.041 1.00 0.00 C ATOM 351 C GLY A 28 8.019 2.417 -2.450 1.00 0.00 C ATOM 352 O GLY A 28 8.971 2.367 -1.671 1.00 0.00 O ATOM 0 H GLY A 28 5.728 1.167 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.287 2.475 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.755 0.863 -1.700 1.00 0.00 H new ATOM 356 N SER A 29 8.115 2.918 -3.678 1.00 0.00 N ATOM 357 CA SER A 29 9.372 3.447 -4.192 1.00 0.00 C ATOM 358 C SER A 29 9.732 4.760 -3.502 1.00 0.00 C ATOM 359 O SER A 29 10.893 5.005 -3.173 1.00 0.00 O ATOM 360 CB SER A 29 9.280 3.661 -5.704 1.00 0.00 C ATOM 361 OG SER A 29 10.347 4.468 -6.171 1.00 0.00 O ATOM 0 H SER A 29 7.336 2.968 -4.335 1.00 0.00 H new ATOM 0 HA SER A 29 10.156 2.719 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.299 2.697 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.329 4.132 -5.950 1.00 0.00 H new ATOM 0 HG SER A 29 10.266 4.588 -7.140 1.00 0.00 H new ATOM 367 N LYS A 30 8.727 5.602 -3.287 1.00 0.00 N ATOM 368 CA LYS A 30 8.934 6.890 -2.635 1.00 0.00 C ATOM 369 C LYS A 30 9.926 6.764 -1.484 1.00 0.00 C ATOM 370 O LYS A 30 10.585 7.735 -1.111 1.00 0.00 O ATOM 371 CB LYS A 30 7.604 7.443 -2.119 1.00 0.00 C ATOM 372 CG LYS A 30 6.864 8.297 -3.134 1.00 0.00 C ATOM 373 CD LYS A 30 5.625 8.935 -2.529 1.00 0.00 C ATOM 374 CE LYS A 30 5.956 10.249 -1.838 1.00 0.00 C ATOM 375 NZ LYS A 30 6.012 11.384 -2.800 1.00 0.00 N ATOM 0 H LYS A 30 7.761 5.416 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 30 9.346 7.580 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.965 6.611 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.790 8.037 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.529 9.075 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.578 7.683 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.886 9.110 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.174 8.249 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.206 10.457 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.914 10.159 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.240 12.261 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.745 11.198 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.090 11.487 -3.270 1.00 0.00 H new ATOM 389 N SER A 31 10.027 5.563 -0.924 1.00 0.00 N ATOM 390 CA SER A 31 10.938 5.311 0.187 1.00 0.00 C ATOM 391 C SER A 31 12.319 5.890 -0.101 1.00 0.00 C ATOM 392 O SER A 31 12.882 5.678 -1.175 1.00 0.00 O ATOM 393 CB SER A 31 11.047 3.809 0.454 1.00 0.00 C ATOM 394 OG SER A 31 11.871 3.549 1.577 1.00 0.00 O ATOM 0 H SER A 31 9.489 4.749 -1.221 1.00 0.00 H new ATOM 0 HA SER A 31 10.536 5.802 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.054 3.394 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.455 3.309 -0.424 1.00 0.00 H new ATOM 0 HG SER A 31 12.311 2.680 1.466 1.00 0.00 H new ATOM 400 N SER A 32 12.860 6.624 0.867 1.00 0.00 N ATOM 401 CA SER A 32 14.174 7.238 0.717 1.00 0.00 C ATOM 402 C SER A 32 15.134 6.297 -0.004 1.00 0.00 C ATOM 403 O SER A 32 15.896 6.717 -0.875 1.00 0.00 O ATOM 404 CB SER A 32 14.743 7.615 2.086 1.00 0.00 C ATOM 405 OG SER A 32 14.784 6.491 2.949 1.00 0.00 O ATOM 0 H SER A 32 12.408 6.808 1.763 1.00 0.00 H new ATOM 0 HA SER A 32 14.060 8.141 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.747 8.022 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.132 8.399 2.534 1.00 0.00 H new ATOM 0 HG SER A 32 15.527 5.907 2.690 1.00 0.00 H new ATOM 411 N ASP A 33 15.092 5.021 0.366 1.00 0.00 N ATOM 412 CA ASP A 33 15.957 4.019 -0.245 1.00 0.00 C ATOM 413 C ASP A 33 15.355 3.503 -1.548 1.00 0.00 C ATOM 414 O ASP A 33 14.800 2.404 -1.595 1.00 0.00 O ATOM 415 CB ASP A 33 16.187 2.856 0.721 1.00 0.00 C ATOM 416 CG ASP A 33 16.855 3.296 2.009 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.644 4.456 2.420 1.00 0.00 O ATOM 418 OD2 ASP A 33 17.589 2.480 2.605 1.00 0.00 O ATOM 0 H ASP A 33 14.468 4.657 1.086 1.00 0.00 H new ATOM 0 HA ASP A 33 16.914 4.489 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.231 2.386 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.804 2.100 0.235 1.00 0.00 H new ATOM 423 N ASP A 34 15.466 4.302 -2.603 1.00 0.00 N ATOM 424 CA ASP A 34 14.932 3.927 -3.907 1.00 0.00 C ATOM 425 C ASP A 34 15.998 3.237 -4.752 1.00 0.00 C ATOM 426 O ASP A 34 15.703 2.305 -5.500 1.00 0.00 O ATOM 427 CB ASP A 34 14.402 5.160 -4.640 1.00 0.00 C ATOM 428 CG ASP A 34 15.418 6.285 -4.690 1.00 0.00 C ATOM 429 OD1 ASP A 34 15.828 6.762 -3.612 1.00 0.00 O ATOM 430 OD2 ASP A 34 15.803 6.688 -5.808 1.00 0.00 O ATOM 0 H ASP A 34 15.921 5.214 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 34 14.111 3.228 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.121 4.882 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.498 5.513 -4.145 1.00 0.00 H new ATOM 435 N GLN A 35 17.237 3.702 -4.628 1.00 0.00 N ATOM 436 CA GLN A 35 18.347 3.130 -5.382 1.00 0.00 C ATOM 437 C GLN A 35 18.789 1.802 -4.777 1.00 0.00 C ATOM 438 O GLN A 35 19.103 0.854 -5.497 1.00 0.00 O ATOM 439 CB GLN A 35 19.524 4.106 -5.416 1.00 0.00 C ATOM 440 CG GLN A 35 19.239 5.377 -6.199 1.00 0.00 C ATOM 441 CD GLN A 35 20.504 6.088 -6.639 1.00 0.00 C ATOM 442 OE1 GLN A 35 20.896 7.099 -6.056 1.00 0.00 O ATOM 443 NE2 GLN A 35 21.150 5.561 -7.673 1.00 0.00 N ATOM 0 H GLN A 35 17.498 4.473 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 35 18.006 2.948 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.794 4.372 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 35 20.388 3.605 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.641 5.132 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.643 6.052 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 35 20.789 4.722 -8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 35 22.007 5.996 -8.014 1.00 0.00 H new ATOM 452 N LYS A 36 18.810 1.739 -3.450 1.00 0.00 N ATOM 453 CA LYS A 36 19.213 0.527 -2.747 1.00 0.00 C ATOM 454 C LYS A 36 17.995 -0.239 -2.242 1.00 0.00 C ATOM 455 O LYS A 36 17.636 -0.148 -1.068 1.00 0.00 O ATOM 456 CB LYS A 36 20.132 0.875 -1.574 1.00 0.00 C ATOM 457 CG LYS A 36 21.512 1.344 -2.001 1.00 0.00 C ATOM 458 CD LYS A 36 22.204 2.122 -0.894 1.00 0.00 C ATOM 459 CE LYS A 36 23.659 2.405 -1.237 1.00 0.00 C ATOM 460 NZ LYS A 36 23.786 3.396 -2.341 1.00 0.00 N ATOM 0 H LYS A 36 18.552 2.514 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 36 19.754 -0.107 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.662 1.654 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 36 20.237 -0.001 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.121 0.483 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 36 21.426 1.971 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.679 3.062 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 36 22.152 1.557 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 36 24.175 2.779 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 36 24.152 1.476 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 24.792 3.562 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 23.316 3.029 -3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 23.338 4.291 -2.057 1.00 0.00 H new ATOM 474 N ILE A 37 17.364 -0.993 -3.136 1.00 0.00 N ATOM 475 CA ILE A 37 16.188 -1.777 -2.779 1.00 0.00 C ATOM 476 C ILE A 37 15.975 -2.926 -3.759 1.00 0.00 C ATOM 477 O ILE A 37 15.813 -2.709 -4.960 1.00 0.00 O ATOM 478 CB ILE A 37 14.919 -0.905 -2.746 1.00 0.00 C ATOM 479 CG1 ILE A 37 13.748 -1.691 -2.152 1.00 0.00 C ATOM 480 CG2 ILE A 37 14.578 -0.412 -4.145 1.00 0.00 C ATOM 481 CD1 ILE A 37 13.680 -1.624 -0.642 1.00 0.00 C ATOM 0 H ILE A 37 17.647 -1.078 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 37 16.369 -2.180 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 37 15.108 -0.038 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.816 -1.308 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 37 13.828 -2.734 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.679 0.203 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.406 0.181 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 37 14.405 -1.266 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.826 -2.203 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 37 14.596 -2.034 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.568 -0.586 -0.329 1.00 0.00 H new ATOM 493 N ILE A 38 15.975 -4.148 -3.237 1.00 0.00 N ATOM 494 CA ILE A 38 15.780 -5.332 -4.065 1.00 0.00 C ATOM 495 C ILE A 38 14.745 -6.268 -3.450 1.00 0.00 C ATOM 496 O ILE A 38 14.845 -7.489 -3.576 1.00 0.00 O ATOM 497 CB ILE A 38 17.098 -6.102 -4.267 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.587 -6.677 -2.936 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.154 -5.194 -4.877 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.537 -7.843 -3.093 1.00 0.00 C ATOM 0 H ILE A 38 16.108 -4.344 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 38 15.421 -4.984 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 38 16.917 -6.929 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 38 18.083 -5.889 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.726 -6.997 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.080 -5.753 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.805 -4.828 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.335 -4.349 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.842 -8.199 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.038 -8.649 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.417 -7.523 -3.652 1.00 0.00 H new ATOM 512 N SER A 39 13.751 -5.688 -2.786 1.00 0.00 N ATOM 513 CA SER A 39 12.698 -6.471 -2.149 1.00 0.00 C ATOM 514 C SER A 39 11.464 -5.612 -1.889 1.00 0.00 C ATOM 515 O SER A 39 11.567 -4.493 -1.385 1.00 0.00 O ATOM 516 CB SER A 39 13.203 -7.069 -0.834 1.00 0.00 C ATOM 517 OG SER A 39 13.871 -8.299 -1.057 1.00 0.00 O ATOM 0 H SER A 39 13.652 -4.679 -2.675 1.00 0.00 H new ATOM 0 HA SER A 39 12.421 -7.280 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.880 -6.367 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.364 -7.225 -0.156 1.00 0.00 H new ATOM 0 HG SER A 39 14.320 -8.274 -1.928 1.00 0.00 H new ATOM 523 N TYR A 40 10.298 -6.144 -2.237 1.00 0.00 N ATOM 524 CA TYR A 40 9.043 -5.426 -2.045 1.00 0.00 C ATOM 525 C TYR A 40 7.917 -6.387 -1.676 1.00 0.00 C ATOM 526 O TYR A 40 7.775 -7.455 -2.273 1.00 0.00 O ATOM 527 CB TYR A 40 8.674 -4.653 -3.312 1.00 0.00 C ATOM 528 CG TYR A 40 9.342 -3.300 -3.411 1.00 0.00 C ATOM 529 CD1 TYR A 40 8.867 -2.214 -2.685 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.446 -3.106 -4.232 1.00 0.00 C ATOM 531 CE1 TYR A 40 9.473 -0.976 -2.773 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.059 -1.872 -4.325 1.00 0.00 C ATOM 533 CZ TYR A 40 10.569 -0.810 -3.594 1.00 0.00 C ATOM 534 OH TYR A 40 11.176 0.422 -3.686 1.00 0.00 O ATOM 0 H TYR A 40 10.195 -7.069 -2.653 1.00 0.00 H new ATOM 0 HA TYR A 40 9.179 -4.721 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.947 -5.248 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.593 -4.518 -3.344 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.009 -2.340 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.831 -3.935 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.091 -0.143 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.917 -1.739 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 40 11.068 0.904 -2.839 1.00 0.00 H new ATOM 544 N LEU A 41 7.118 -6.000 -0.687 1.00 0.00 N ATOM 545 CA LEU A 41 6.003 -6.825 -0.237 1.00 0.00 C ATOM 546 C LEU A 41 4.817 -5.960 0.177 1.00 0.00 C ATOM 547 O LEU A 41 4.983 -4.946 0.856 1.00 0.00 O ATOM 548 CB LEU A 41 6.437 -7.710 0.933 1.00 0.00 C ATOM 549 CG LEU A 41 5.455 -8.808 1.344 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.354 -9.867 0.258 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.879 -9.435 2.664 1.00 0.00 C ATOM 0 H LEU A 41 7.222 -5.120 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 41 5.694 -7.458 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.387 -8.178 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.620 -7.071 1.797 1.00 0.00 H new ATOM 0 HG LEU A 41 4.471 -8.358 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.651 -10.640 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.004 -9.408 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.335 -10.313 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.169 -10.214 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.873 -9.871 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.900 -8.670 3.440 1.00 0.00 H new ATOM 563 N TRP A 42 3.622 -6.367 -0.234 1.00 0.00 N ATOM 564 CA TRP A 42 2.408 -5.629 0.096 1.00 0.00 C ATOM 565 C TRP A 42 1.329 -6.567 0.627 1.00 0.00 C ATOM 566 O TRP A 42 0.798 -7.396 -0.111 1.00 0.00 O ATOM 567 CB TRP A 42 1.891 -4.880 -1.133 1.00 0.00 C ATOM 568 CG TRP A 42 2.662 -3.632 -1.436 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.649 -3.484 -2.369 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.512 -2.357 -0.803 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.121 -2.194 -2.354 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.439 -1.482 -1.402 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.683 -1.868 0.211 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.559 -0.149 -1.019 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.804 -0.545 0.590 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.735 0.303 -0.024 1.00 0.00 C ATOM 0 H TRP A 42 3.467 -7.204 -0.796 1.00 0.00 H new ATOM 0 HA TRP A 42 2.652 -4.907 0.876 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.932 -5.543 -1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.843 -4.623 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.006 -4.266 -3.022 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.859 -1.826 -2.954 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.961 -2.513 0.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.277 0.506 -1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.170 -0.158 1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.804 1.333 0.294 1.00 0.00 H new ATOM 587 N GLU A 43 1.010 -6.429 1.910 1.00 0.00 N ATOM 588 CA GLU A 43 -0.006 -7.265 2.538 1.00 0.00 C ATOM 589 C GLU A 43 -0.866 -6.448 3.498 1.00 0.00 C ATOM 590 O GLU A 43 -0.408 -5.461 4.075 1.00 0.00 O ATOM 591 CB GLU A 43 0.649 -8.427 3.287 1.00 0.00 C ATOM 592 CG GLU A 43 1.536 -9.294 2.408 1.00 0.00 C ATOM 593 CD GLU A 43 1.794 -10.662 3.009 1.00 0.00 C ATOM 594 OE1 GLU A 43 0.889 -11.520 2.940 1.00 0.00 O ATOM 595 OE2 GLU A 43 2.900 -10.875 3.548 1.00 0.00 O ATOM 0 H GLU A 43 1.440 -5.747 2.534 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.647 -7.664 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.244 -8.029 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.130 -9.049 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.068 -9.413 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.487 -8.787 2.246 1.00 0.00 H new ATOM 602 N LYS A 44 -2.117 -6.866 3.665 1.00 0.00 N ATOM 603 CA LYS A 44 -3.042 -6.175 4.555 1.00 0.00 C ATOM 604 C LYS A 44 -2.903 -6.684 5.986 1.00 0.00 C ATOM 605 O LYS A 44 -3.182 -7.849 6.272 1.00 0.00 O ATOM 606 CB LYS A 44 -4.482 -6.365 4.073 1.00 0.00 C ATOM 607 CG LYS A 44 -5.525 -5.914 5.081 1.00 0.00 C ATOM 608 CD LYS A 44 -6.885 -5.726 4.430 1.00 0.00 C ATOM 609 CE LYS A 44 -7.675 -7.026 4.403 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.211 -7.377 5.747 1.00 0.00 N ATOM 0 H LYS A 44 -2.513 -7.680 3.195 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.797 -5.113 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.622 -5.810 3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.643 -7.418 3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.602 -6.651 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.208 -4.978 5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.448 -4.968 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.755 -5.357 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.499 -6.935 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.035 -7.833 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.454 -8.388 5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.492 -7.177 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.062 -6.812 5.940 1.00 0.00 H new ATOM 624 N THR A 45 -2.471 -5.803 6.883 1.00 0.00 N ATOM 625 CA THR A 45 -2.296 -6.163 8.285 1.00 0.00 C ATOM 626 C THR A 45 -3.635 -6.216 9.011 1.00 0.00 C ATOM 627 O THR A 45 -3.982 -7.230 9.616 1.00 0.00 O ATOM 628 CB THR A 45 -1.371 -5.166 9.009 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.525 -3.858 8.447 1.00 0.00 O ATOM 630 CG2 THR A 45 0.082 -5.601 8.903 1.00 0.00 C ATOM 0 H THR A 45 -2.236 -4.835 6.664 1.00 0.00 H new ATOM 0 HA THR A 45 -1.838 -7.152 8.303 1.00 0.00 H new ATOM 0 HB THR A 45 -1.651 -5.144 10.062 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.467 -3.708 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.716 -4.882 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.202 -6.584 9.358 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.372 -5.649 7.853 1.00 0.00 H new ATOM 638 N GLN A 46 -4.382 -5.119 8.945 1.00 0.00 N ATOM 639 CA GLN A 46 -5.684 -5.043 9.597 1.00 0.00 C ATOM 640 C GLN A 46 -6.782 -4.731 8.586 1.00 0.00 C ATOM 641 O GLN A 46 -6.514 -4.555 7.398 1.00 0.00 O ATOM 642 CB GLN A 46 -5.667 -3.977 10.694 1.00 0.00 C ATOM 643 CG GLN A 46 -5.263 -4.514 12.058 1.00 0.00 C ATOM 644 CD GLN A 46 -4.973 -3.411 13.057 1.00 0.00 C ATOM 645 OE1 GLN A 46 -3.862 -3.305 13.577 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.973 -2.582 13.330 1.00 0.00 N ATOM 0 H GLN A 46 -4.109 -4.272 8.447 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.894 -6.014 10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.978 -3.183 10.407 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.657 -3.528 10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.060 -5.149 12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.379 -5.142 11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.878 -2.707 12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.837 -1.820 13.994 1.00 0.00 H new ATOM 655 N GLY A 47 -8.021 -4.663 9.066 1.00 0.00 N ATOM 656 CA GLY A 47 -9.141 -4.373 8.190 1.00 0.00 C ATOM 657 C GLY A 47 -9.916 -5.618 7.808 1.00 0.00 C ATOM 658 O GLY A 47 -9.495 -6.743 8.073 1.00 0.00 O ATOM 0 H GLY A 47 -8.268 -4.804 10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.811 -3.669 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.775 -3.885 7.287 1.00 0.00 H new ATOM 662 N PRO A 48 -11.080 -5.422 7.170 1.00 0.00 N ATOM 663 CA PRO A 48 -11.941 -6.527 6.738 1.00 0.00 C ATOM 664 C PRO A 48 -11.332 -7.322 5.588 1.00 0.00 C ATOM 665 O PRO A 48 -10.883 -6.750 4.595 1.00 0.00 O ATOM 666 CB PRO A 48 -13.220 -5.822 6.281 1.00 0.00 C ATOM 667 CG PRO A 48 -12.781 -4.451 5.898 1.00 0.00 C ATOM 668 CD PRO A 48 -11.644 -4.108 6.820 1.00 0.00 C ATOM 0 HA PRO A 48 -12.099 -7.255 7.534 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.678 -6.340 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.962 -5.792 7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.462 -4.420 4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.597 -3.736 6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.907 -3.472 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.991 -3.571 7.703 1.00 0.00 H new ATOM 676 N ASP A 49 -11.320 -8.643 5.729 1.00 0.00 N ATOM 677 CA ASP A 49 -10.766 -9.517 4.701 1.00 0.00 C ATOM 678 C ASP A 49 -11.622 -9.479 3.439 1.00 0.00 C ATOM 679 O ASP A 49 -12.808 -9.159 3.490 1.00 0.00 O ATOM 680 CB ASP A 49 -10.666 -10.951 5.221 1.00 0.00 C ATOM 681 CG ASP A 49 -9.505 -11.140 6.178 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.367 -11.330 5.700 1.00 0.00 O ATOM 683 OD2 ASP A 49 -9.734 -11.099 7.405 1.00 0.00 O ATOM 0 H ASP A 49 -11.688 -9.132 6.545 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.767 -9.159 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.595 -11.217 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.553 -11.633 4.378 1.00 0.00 H new ATOM 688 N GLY A 50 -11.009 -9.808 2.305 1.00 0.00 N ATOM 689 CA GLY A 50 -11.729 -9.804 1.045 1.00 0.00 C ATOM 690 C GLY A 50 -10.975 -9.077 -0.051 1.00 0.00 C ATOM 691 O GLY A 50 -10.752 -9.626 -1.131 1.00 0.00 O ATOM 0 H GLY A 50 -10.027 -10.077 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.916 -10.832 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.701 -9.333 1.187 1.00 0.00 H new ATOM 695 N VAL A 51 -10.582 -7.838 0.224 1.00 0.00 N ATOM 696 CA VAL A 51 -9.849 -7.034 -0.747 1.00 0.00 C ATOM 697 C VAL A 51 -8.795 -7.868 -1.467 1.00 0.00 C ATOM 698 O VAL A 51 -8.400 -8.932 -0.990 1.00 0.00 O ATOM 699 CB VAL A 51 -9.164 -5.829 -0.076 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.197 -4.925 0.580 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.134 -6.300 0.939 1.00 0.00 C ATOM 0 H VAL A 51 -10.759 -7.368 1.112 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.578 -6.671 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.647 -5.253 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.695 -4.079 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.893 -4.560 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.744 -5.487 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.659 -5.436 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.626 -6.900 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.377 -6.903 0.437 1.00 0.00 H new ATOM 711 N GLN A 52 -8.344 -7.377 -2.616 1.00 0.00 N ATOM 712 CA GLN A 52 -7.335 -8.078 -3.402 1.00 0.00 C ATOM 713 C GLN A 52 -6.164 -7.158 -3.730 1.00 0.00 C ATOM 714 O GLN A 52 -6.357 -6.016 -4.151 1.00 0.00 O ATOM 715 CB GLN A 52 -7.950 -8.620 -4.693 1.00 0.00 C ATOM 716 CG GLN A 52 -8.540 -10.014 -4.548 1.00 0.00 C ATOM 717 CD GLN A 52 -7.630 -10.956 -3.785 1.00 0.00 C ATOM 718 OE1 GLN A 52 -6.406 -10.883 -3.898 1.00 0.00 O ATOM 719 NE2 GLN A 52 -8.225 -11.848 -3.002 1.00 0.00 N ATOM 0 H GLN A 52 -8.661 -6.497 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.962 -8.912 -2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.731 -7.937 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.186 -8.637 -5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.499 -9.947 -4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.736 -10.426 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.243 -11.873 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.664 -12.509 -2.464 1.00 0.00 H new ATOM 728 N LEU A 53 -4.950 -7.660 -3.533 1.00 0.00 N ATOM 729 CA LEU A 53 -3.746 -6.883 -3.807 1.00 0.00 C ATOM 730 C LEU A 53 -3.028 -7.410 -5.045 1.00 0.00 C ATOM 731 O LEU A 53 -2.669 -8.585 -5.111 1.00 0.00 O ATOM 732 CB LEU A 53 -2.805 -6.920 -2.602 1.00 0.00 C ATOM 733 CG LEU A 53 -2.978 -5.796 -1.580 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.622 -6.284 -0.184 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.125 -4.594 -1.960 1.00 0.00 C ATOM 0 H LEU A 53 -4.773 -8.602 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.044 -5.851 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.940 -7.873 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.778 -6.897 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.024 -5.489 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.751 -5.470 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.275 -7.113 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.585 -6.619 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.261 -3.804 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.076 -4.887 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.427 -4.229 -2.942 1.00 0.00 H new ATOM 747 N GLU A 54 -2.820 -6.533 -6.021 1.00 0.00 N ATOM 748 CA GLU A 54 -2.142 -6.911 -7.256 1.00 0.00 C ATOM 749 C GLU A 54 -0.693 -6.434 -7.249 1.00 0.00 C ATOM 750 O GLU A 54 -0.378 -5.379 -6.700 1.00 0.00 O ATOM 751 CB GLU A 54 -2.877 -6.329 -8.466 1.00 0.00 C ATOM 752 CG GLU A 54 -2.757 -7.182 -9.718 1.00 0.00 C ATOM 753 CD GLU A 54 -1.496 -6.886 -10.507 1.00 0.00 C ATOM 754 OE1 GLU A 54 -1.367 -5.753 -11.014 1.00 0.00 O ATOM 755 OE2 GLU A 54 -0.640 -7.788 -10.617 1.00 0.00 O ATOM 0 H GLU A 54 -3.111 -5.556 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.148 -7.999 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.932 -6.210 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.484 -5.334 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.767 -8.235 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.627 -7.013 -10.353 1.00 0.00 H new ATOM 762 N ASN A 55 0.185 -7.219 -7.864 1.00 0.00 N ATOM 763 CA ASN A 55 1.602 -6.878 -7.929 1.00 0.00 C ATOM 764 C ASN A 55 2.181 -6.691 -6.530 1.00 0.00 C ATOM 765 O ASN A 55 3.097 -5.895 -6.327 1.00 0.00 O ATOM 766 CB ASN A 55 1.804 -5.604 -8.751 1.00 0.00 C ATOM 767 CG ASN A 55 2.017 -5.894 -10.224 1.00 0.00 C ATOM 768 OD1 ASN A 55 3.016 -6.500 -10.611 1.00 0.00 O ATOM 769 ND2 ASN A 55 1.075 -5.461 -11.054 1.00 0.00 N ATOM 0 H ASN A 55 -0.059 -8.096 -8.325 1.00 0.00 H new ATOM 0 HA ASN A 55 2.127 -7.702 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.935 -4.957 -8.633 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.663 -5.057 -8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.163 -5.627 -12.057 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.263 -4.963 -10.689 1.00 0.00 H new ATOM 776 N ALA A 56 1.639 -7.431 -5.568 1.00 0.00 N ATOM 777 CA ALA A 56 2.103 -7.349 -4.188 1.00 0.00 C ATOM 778 C ALA A 56 3.616 -7.518 -4.107 1.00 0.00 C ATOM 779 O ALA A 56 4.274 -6.912 -3.262 1.00 0.00 O ATOM 780 CB ALA A 56 1.406 -8.397 -3.334 1.00 0.00 C ATOM 0 H ALA A 56 0.878 -8.094 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 56 1.853 -6.360 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.762 -8.324 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.329 -8.228 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.627 -9.390 -3.725 1.00 0.00 H new ATOM 786 N ASN A 57 4.163 -8.347 -4.991 1.00 0.00 N ATOM 787 CA ASN A 57 5.599 -8.597 -5.018 1.00 0.00 C ATOM 788 C ASN A 57 6.315 -7.564 -5.883 1.00 0.00 C ATOM 789 O ASN A 57 7.297 -7.877 -6.557 1.00 0.00 O ATOM 790 CB ASN A 57 5.883 -10.005 -5.545 1.00 0.00 C ATOM 791 CG ASN A 57 5.686 -11.070 -4.484 1.00 0.00 C ATOM 792 OD1 ASN A 57 6.613 -11.808 -4.149 1.00 0.00 O ATOM 793 ND2 ASN A 57 4.474 -11.155 -3.949 1.00 0.00 N ATOM 0 H ASN A 57 3.633 -8.857 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 57 5.976 -8.515 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.227 -10.213 -6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.907 -10.051 -5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.282 -11.853 -3.230 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.735 -10.523 -4.257 1.00 0.00 H new ATOM 800 N SER A 58 5.817 -6.332 -5.858 1.00 0.00 N ATOM 801 CA SER A 58 6.407 -5.253 -6.642 1.00 0.00 C ATOM 802 C SER A 58 6.345 -3.932 -5.881 1.00 0.00 C ATOM 803 O SER A 58 5.538 -3.767 -4.966 1.00 0.00 O ATOM 804 CB SER A 58 5.684 -5.116 -7.984 1.00 0.00 C ATOM 805 OG SER A 58 6.111 -6.113 -8.897 1.00 0.00 O ATOM 0 H SER A 58 5.007 -6.056 -5.304 1.00 0.00 H new ATOM 0 HA SER A 58 7.453 -5.499 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.608 -5.196 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.874 -4.128 -8.404 1.00 0.00 H new ATOM 0 HG SER A 58 6.660 -6.775 -8.426 1.00 0.00 H new ATOM 811 N SER A 59 7.204 -2.994 -6.267 1.00 0.00 N ATOM 812 CA SER A 59 7.252 -1.688 -5.619 1.00 0.00 C ATOM 813 C SER A 59 5.881 -1.019 -5.646 1.00 0.00 C ATOM 814 O SER A 59 5.510 -0.299 -4.719 1.00 0.00 O ATOM 815 CB SER A 59 8.284 -0.792 -6.306 1.00 0.00 C ATOM 816 OG SER A 59 9.475 -1.507 -6.584 1.00 0.00 O ATOM 0 H SER A 59 7.876 -3.114 -7.025 1.00 0.00 H new ATOM 0 HA SER A 59 7.545 -1.835 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.868 -0.398 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.510 0.063 -5.669 1.00 0.00 H new ATOM 0 HG SER A 59 9.710 -2.063 -5.812 1.00 0.00 H new ATOM 822 N VAL A 60 5.132 -1.260 -6.718 1.00 0.00 N ATOM 823 CA VAL A 60 3.802 -0.682 -6.867 1.00 0.00 C ATOM 824 C VAL A 60 2.722 -1.753 -6.756 1.00 0.00 C ATOM 825 O VAL A 60 2.720 -2.727 -7.508 1.00 0.00 O ATOM 826 CB VAL A 60 3.654 0.042 -8.218 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.263 0.643 -8.352 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.723 1.114 -8.368 1.00 0.00 C ATOM 0 H VAL A 60 5.424 -1.852 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 60 3.678 0.040 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 60 3.788 -0.687 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.177 1.151 -9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.517 -0.149 -8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.097 1.359 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.603 1.615 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.623 1.843 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.710 0.653 -8.320 1.00 0.00 H new ATOM 838 N ALA A 61 1.805 -1.564 -5.813 1.00 0.00 N ATOM 839 CA ALA A 61 0.717 -2.512 -5.605 1.00 0.00 C ATOM 840 C ALA A 61 -0.639 -1.830 -5.745 1.00 0.00 C ATOM 841 O ALA A 61 -0.759 -0.617 -5.567 1.00 0.00 O ATOM 842 CB ALA A 61 0.843 -3.166 -4.237 1.00 0.00 C ATOM 0 H ALA A 61 1.794 -0.763 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 61 0.787 -3.283 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.025 -3.872 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.794 -3.695 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.801 -2.400 -3.462 1.00 0.00 H new ATOM 848 N THR A 62 -1.662 -2.617 -6.065 1.00 0.00 N ATOM 849 CA THR A 62 -3.010 -2.089 -6.231 1.00 0.00 C ATOM 850 C THR A 62 -4.021 -2.901 -5.429 1.00 0.00 C ATOM 851 O THR A 62 -4.077 -4.125 -5.540 1.00 0.00 O ATOM 852 CB THR A 62 -3.433 -2.084 -7.712 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.606 -1.181 -8.455 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.892 -1.679 -7.857 1.00 0.00 C ATOM 0 H THR A 62 -1.582 -3.623 -6.214 1.00 0.00 H new ATOM 0 HA THR A 62 -2.995 -1.064 -5.861 1.00 0.00 H new ATOM 0 HB THR A 62 -3.312 -3.094 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.880 -1.185 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.168 -1.683 -8.912 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.521 -2.385 -7.315 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.034 -0.679 -7.448 1.00 0.00 H new ATOM 862 N VAL A 63 -4.819 -2.210 -4.620 1.00 0.00 N ATOM 863 CA VAL A 63 -5.829 -2.867 -3.800 1.00 0.00 C ATOM 864 C VAL A 63 -7.223 -2.672 -4.385 1.00 0.00 C ATOM 865 O VAL A 63 -7.738 -1.554 -4.435 1.00 0.00 O ATOM 866 CB VAL A 63 -5.812 -2.335 -2.355 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.849 -3.056 -1.507 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.423 -2.480 -1.750 1.00 0.00 C ATOM 0 H VAL A 63 -4.785 -1.196 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.587 -3.930 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.067 -1.275 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.822 -2.666 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.841 -2.896 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.629 -4.123 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.429 -2.099 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.137 -3.532 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.706 -1.913 -2.344 1.00 0.00 H new ATOM 878 N THR A 64 -7.832 -3.768 -4.827 1.00 0.00 N ATOM 879 CA THR A 64 -9.167 -3.719 -5.409 1.00 0.00 C ATOM 880 C THR A 64 -10.194 -4.368 -4.488 1.00 0.00 C ATOM 881 O THR A 64 -9.840 -5.118 -3.579 1.00 0.00 O ATOM 882 CB THR A 64 -9.209 -4.421 -6.780 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.402 -5.828 -6.604 1.00 0.00 O ATOM 884 CG2 THR A 64 -7.922 -4.173 -7.554 1.00 0.00 C ATOM 0 H THR A 64 -7.421 -4.701 -4.793 1.00 0.00 H new ATOM 0 HA THR A 64 -9.415 -2.666 -5.540 1.00 0.00 H new ATOM 0 HB THR A 64 -10.042 -4.009 -7.349 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.429 -6.267 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.974 -4.678 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.793 -3.102 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.076 -4.561 -6.987 1.00 0.00 H new ATOM 892 N GLY A 65 -11.468 -4.074 -4.729 1.00 0.00 N ATOM 893 CA GLY A 65 -12.527 -4.638 -3.912 1.00 0.00 C ATOM 894 C GLY A 65 -12.614 -3.987 -2.546 1.00 0.00 C ATOM 895 O GLY A 65 -12.817 -4.665 -1.538 1.00 0.00 O ATOM 0 H GLY A 65 -11.786 -3.455 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.480 -4.522 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.358 -5.708 -3.791 1.00 0.00 H new ATOM 899 N LEU A 66 -12.460 -2.668 -2.510 1.00 0.00 N ATOM 900 CA LEU A 66 -12.522 -1.924 -1.257 1.00 0.00 C ATOM 901 C LEU A 66 -13.927 -1.385 -1.012 1.00 0.00 C ATOM 902 O LEU A 66 -14.726 -1.264 -1.940 1.00 0.00 O ATOM 903 CB LEU A 66 -11.517 -0.770 -1.276 1.00 0.00 C ATOM 904 CG LEU A 66 -10.040 -1.166 -1.247 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.195 -0.127 -1.967 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.564 -1.342 0.188 1.00 0.00 C ATOM 0 H LEU A 66 -12.291 -2.092 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.268 -2.606 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.695 -0.174 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.717 -0.126 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.928 -2.118 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.147 -0.425 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.520 -0.049 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.311 0.840 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.511 -1.624 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.690 -0.405 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.150 -2.123 0.672 1.00 0.00 H new ATOM 918 N GLN A 67 -14.221 -1.061 0.243 1.00 0.00 N ATOM 919 CA GLN A 67 -15.530 -0.534 0.610 1.00 0.00 C ATOM 920 C GLN A 67 -15.453 0.261 1.909 1.00 0.00 C ATOM 921 O GLN A 67 -14.418 0.281 2.576 1.00 0.00 O ATOM 922 CB GLN A 67 -16.540 -1.673 0.754 1.00 0.00 C ATOM 923 CG GLN A 67 -16.130 -2.725 1.772 1.00 0.00 C ATOM 924 CD GLN A 67 -16.720 -4.089 1.472 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.809 -4.423 1.939 1.00 0.00 O ATOM 926 NE2 GLN A 67 -16.003 -4.885 0.687 1.00 0.00 N ATOM 0 H GLN A 67 -13.570 -1.154 1.023 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.859 0.135 -0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.505 -1.257 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.676 -2.152 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.043 -2.800 1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.447 -2.407 2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.105 -4.567 0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.350 -5.814 0.449 1.00 0.00 H new ATOM 935 N VAL A 68 -16.554 0.914 2.265 1.00 0.00 N ATOM 936 CA VAL A 68 -16.612 1.709 3.485 1.00 0.00 C ATOM 937 C VAL A 68 -15.986 0.962 4.658 1.00 0.00 C ATOM 938 O VAL A 68 -16.509 -0.055 5.109 1.00 0.00 O ATOM 939 CB VAL A 68 -18.062 2.083 3.844 1.00 0.00 C ATOM 940 CG1 VAL A 68 -18.108 2.847 5.158 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.696 2.894 2.724 1.00 0.00 C ATOM 0 H VAL A 68 -17.419 0.908 1.725 1.00 0.00 H new ATOM 0 HA VAL A 68 -16.046 2.621 3.295 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.635 1.164 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -19.141 3.102 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.696 2.227 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.520 3.760 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.720 3.150 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.123 3.808 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.699 2.306 1.806 1.00 0.00 H new ATOM 951 N GLY A 69 -14.861 1.476 5.147 1.00 0.00 N ATOM 952 CA GLY A 69 -14.182 0.845 6.264 1.00 0.00 C ATOM 953 C GLY A 69 -12.723 1.243 6.354 1.00 0.00 C ATOM 954 O GLY A 69 -12.269 2.138 5.641 1.00 0.00 O ATOM 0 H GLY A 69 -14.408 2.317 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.687 1.115 7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.255 -0.238 6.165 1.00 0.00 H new ATOM 958 N THR A 70 -11.983 0.577 7.236 1.00 0.00 N ATOM 959 CA THR A 70 -10.567 0.868 7.420 1.00 0.00 C ATOM 960 C THR A 70 -9.700 -0.288 6.933 1.00 0.00 C ATOM 961 O THR A 70 -10.052 -1.455 7.105 1.00 0.00 O ATOM 962 CB THR A 70 -10.239 1.154 8.898 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.305 1.896 9.501 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.938 1.933 9.023 1.00 0.00 C ATOM 0 H THR A 70 -12.342 -0.168 7.834 1.00 0.00 H new ATOM 0 HA THR A 70 -10.348 1.757 6.829 1.00 0.00 H new ATOM 0 HB THR A 70 -10.124 0.200 9.413 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.090 2.072 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.727 2.123 10.075 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.124 1.353 8.589 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.030 2.882 8.494 1.00 0.00 H new ATOM 972 N TYR A 71 -8.566 0.044 6.326 1.00 0.00 N ATOM 973 CA TYR A 71 -7.650 -0.968 5.813 1.00 0.00 C ATOM 974 C TYR A 71 -6.200 -0.574 6.079 1.00 0.00 C ATOM 975 O TYR A 71 -5.731 0.464 5.612 1.00 0.00 O ATOM 976 CB TYR A 71 -7.868 -1.170 4.313 1.00 0.00 C ATOM 977 CG TYR A 71 -9.234 -1.720 3.968 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.354 -0.897 3.959 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.406 -3.062 3.653 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.604 -1.394 3.646 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.651 -3.568 3.338 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.747 -2.731 3.335 1.00 0.00 C ATOM 983 OH TYR A 71 -12.990 -3.231 3.023 1.00 0.00 O ATOM 0 H TYR A 71 -8.259 1.005 6.177 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.855 -1.904 6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.730 -0.217 3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.105 -1.849 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.245 0.150 4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.550 -3.721 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.464 -0.741 3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.766 -4.614 3.095 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.893 -4.111 2.603 1.00 0.00 H new ATOM 993 N VAL A 72 -5.495 -1.412 6.832 1.00 0.00 N ATOM 994 CA VAL A 72 -4.097 -1.155 7.159 1.00 0.00 C ATOM 995 C VAL A 72 -3.172 -2.093 6.393 1.00 0.00 C ATOM 996 O VAL A 72 -3.124 -3.293 6.663 1.00 0.00 O ATOM 997 CB VAL A 72 -3.836 -1.313 8.669 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.452 -0.794 9.029 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.910 -0.595 9.473 1.00 0.00 C ATOM 0 H VAL A 72 -5.869 -2.275 7.227 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.887 -0.126 6.867 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.876 -2.373 8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.286 -0.914 10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.698 -1.357 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.380 0.261 8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.710 -0.717 10.538 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.904 0.466 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.886 -1.019 9.236 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.436 -1.538 5.436 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.510 -2.325 4.630 1.00 0.00 C ATOM 1011 C PHE A 73 -0.064 -2.014 5.003 1.00 0.00 C ATOM 1012 O PHE A 73 0.360 -0.858 4.989 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.735 -2.049 3.142 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.130 -2.360 2.678 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -4.121 -1.394 2.727 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.449 -3.618 2.194 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -5.406 -1.677 2.302 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -4.731 -3.908 1.768 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.710 -2.936 1.821 1.00 0.00 C ATOM 0 H PHE A 73 -2.463 -0.546 5.200 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.699 -3.380 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.518 -1.000 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.027 -2.639 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.888 -0.408 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.686 -4.381 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.170 -0.915 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.967 -4.893 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.712 -3.160 1.487 1.00 0.00 H new ATOM 1029 N THR A 74 0.692 -3.056 5.338 1.00 0.00 N ATOM 1030 CA THR A 74 2.090 -2.896 5.717 1.00 0.00 C ATOM 1031 C THR A 74 3.014 -3.169 4.536 1.00 0.00 C ATOM 1032 O THR A 74 2.817 -4.128 3.789 1.00 0.00 O ATOM 1033 CB THR A 74 2.468 -3.835 6.879 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.798 -3.427 8.077 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.972 -3.834 7.107 1.00 0.00 C ATOM 0 H THR A 74 0.359 -4.020 5.354 1.00 0.00 H new ATOM 0 HA THR A 74 2.214 -1.862 6.040 1.00 0.00 H new ATOM 0 HB THR A 74 2.157 -4.846 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.346 -3.663 8.855 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.215 -4.504 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.477 -4.173 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.302 -2.824 7.350 1.00 0.00 H new ATOM 1043 N LEU A 75 4.024 -2.321 4.374 1.00 0.00 N ATOM 1044 CA LEU A 75 4.981 -2.472 3.283 1.00 0.00 C ATOM 1045 C LEU A 75 6.347 -2.899 3.811 1.00 0.00 C ATOM 1046 O LEU A 75 7.104 -2.084 4.338 1.00 0.00 O ATOM 1047 CB LEU A 75 5.110 -1.160 2.506 1.00 0.00 C ATOM 1048 CG LEU A 75 6.330 -1.038 1.593 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.140 -1.872 0.335 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.585 0.419 1.236 1.00 0.00 C ATOM 0 H LEU A 75 4.201 -1.523 4.983 1.00 0.00 H new ATOM 0 HA LEU A 75 4.611 -3.249 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.213 -1.030 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.133 -0.338 3.221 1.00 0.00 H new ATOM 0 HG LEU A 75 7.200 -1.418 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.018 -1.773 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.007 -2.919 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.259 -1.523 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.457 0.487 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.715 0.825 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.766 0.990 2.146 1.00 0.00 H new ATOM 1062 N THR A 76 6.656 -4.184 3.666 1.00 0.00 N ATOM 1063 CA THR A 76 7.931 -4.720 4.127 1.00 0.00 C ATOM 1064 C THR A 76 8.922 -4.849 2.976 1.00 0.00 C ATOM 1065 O THR A 76 8.679 -5.575 2.012 1.00 0.00 O ATOM 1066 CB THR A 76 7.753 -6.097 4.793 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.886 -5.984 5.927 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.095 -6.665 5.230 1.00 0.00 C ATOM 0 H THR A 76 6.041 -4.873 3.233 1.00 0.00 H new ATOM 0 HA THR A 76 8.322 -4.017 4.862 1.00 0.00 H new ATOM 0 HB THR A 76 7.310 -6.774 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.776 -6.864 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.943 -7.638 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.743 -6.777 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.561 -5.987 5.945 1.00 0.00 H new ATOM 1076 N VAL A 77 10.041 -4.140 3.083 1.00 0.00 N ATOM 1077 CA VAL A 77 11.071 -4.177 2.051 1.00 0.00 C ATOM 1078 C VAL A 77 12.441 -4.470 2.652 1.00 0.00 C ATOM 1079 O VAL A 77 12.653 -4.303 3.853 1.00 0.00 O ATOM 1080 CB VAL A 77 11.137 -2.848 1.275 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.756 -2.454 0.773 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.729 -1.751 2.148 1.00 0.00 C ATOM 0 H VAL A 77 10.258 -3.533 3.874 1.00 0.00 H new ATOM 0 HA VAL A 77 10.800 -4.978 1.363 1.00 0.00 H new ATOM 0 HB VAL A 77 11.787 -2.983 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.822 -1.513 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.374 -3.231 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.081 -2.335 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.768 -0.819 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.107 -1.614 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.737 -2.033 2.453 1.00 0.00 H new ATOM 1092 N LYS A 78 13.370 -4.908 1.809 1.00 0.00 N ATOM 1093 CA LYS A 78 14.722 -5.223 2.255 1.00 0.00 C ATOM 1094 C LYS A 78 15.759 -4.525 1.381 1.00 0.00 C ATOM 1095 O LYS A 78 15.451 -4.066 0.281 1.00 0.00 O ATOM 1096 CB LYS A 78 14.950 -6.736 2.227 1.00 0.00 C ATOM 1097 CG LYS A 78 14.538 -7.437 3.510 1.00 0.00 C ATOM 1098 CD LYS A 78 14.335 -8.927 3.290 1.00 0.00 C ATOM 1099 CE LYS A 78 12.962 -9.222 2.706 1.00 0.00 C ATOM 1100 NZ LYS A 78 12.465 -10.567 3.110 1.00 0.00 N ATOM 0 H LYS A 78 13.211 -5.053 0.812 1.00 0.00 H new ATOM 0 HA LYS A 78 14.834 -4.864 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.392 -7.164 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.005 -6.933 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.301 -7.281 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.616 -6.995 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.106 -9.305 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.450 -9.455 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.256 -8.460 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.010 -9.164 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.527 -10.730 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.126 -11.297 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.395 -10.614 4.147 1.00 0.00 H new ATOM 1114 N ASP A 79 16.989 -4.451 1.877 1.00 0.00 N ATOM 1115 CA ASP A 79 18.073 -3.811 1.141 1.00 0.00 C ATOM 1116 C ASP A 79 19.258 -4.759 0.985 1.00 0.00 C ATOM 1117 O ASP A 79 19.208 -5.907 1.426 1.00 0.00 O ATOM 1118 CB ASP A 79 18.518 -2.533 1.853 1.00 0.00 C ATOM 1119 CG ASP A 79 17.512 -1.408 1.706 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.700 -1.458 0.757 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.534 -0.479 2.540 1.00 0.00 O ATOM 0 H ASP A 79 17.260 -4.826 2.786 1.00 0.00 H new ATOM 0 HA ASP A 79 17.702 -3.554 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.670 -2.744 2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.479 -2.212 1.451 1.00 0.00 H new ATOM 1126 N GLU A 80 20.322 -4.271 0.354 1.00 0.00 N ATOM 1127 CA GLU A 80 21.518 -5.077 0.139 1.00 0.00 C ATOM 1128 C GLU A 80 21.988 -5.713 1.444 1.00 0.00 C ATOM 1129 O GLU A 80 22.431 -6.861 1.463 1.00 0.00 O ATOM 1130 CB GLU A 80 22.637 -4.219 -0.455 1.00 0.00 C ATOM 1131 CG GLU A 80 23.903 -5.000 -0.766 1.00 0.00 C ATOM 1132 CD GLU A 80 23.763 -5.871 -1.999 1.00 0.00 C ATOM 1133 OE1 GLU A 80 22.908 -6.780 -1.991 1.00 0.00 O ATOM 1134 OE2 GLU A 80 24.510 -5.642 -2.974 1.00 0.00 O ATOM 0 H GLU A 80 20.380 -3.323 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 80 21.268 -5.873 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.276 -3.749 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.877 -3.417 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 80 24.729 -4.303 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 80 24.159 -5.626 0.089 1.00 0.00 H new ATOM 1141 N ARG A 81 21.887 -4.957 2.533 1.00 0.00 N ATOM 1142 CA ARG A 81 22.303 -5.445 3.842 1.00 0.00 C ATOM 1143 C ARG A 81 21.157 -6.169 4.543 1.00 0.00 C ATOM 1144 O ARG A 81 21.058 -6.156 5.769 1.00 0.00 O ATOM 1145 CB ARG A 81 22.794 -4.285 4.711 1.00 0.00 C ATOM 1146 CG ARG A 81 24.055 -3.621 4.183 1.00 0.00 C ATOM 1147 CD ARG A 81 24.372 -2.343 4.944 1.00 0.00 C ATOM 1148 NE ARG A 81 25.435 -1.574 4.303 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.087 -0.582 4.901 1.00 0.00 C ATOM 1150 NH1 ARG A 81 25.785 -0.241 6.146 1.00 0.00 N ATOM 1151 NH2 ARG A 81 27.042 0.071 4.252 1.00 0.00 N ATOM 0 H ARG A 81 21.521 -4.005 2.534 1.00 0.00 H new ATOM 0 HA ARG A 81 23.120 -6.151 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.004 -3.538 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.982 -4.652 5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.894 -4.312 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.932 -3.394 3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.473 -1.730 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.668 -2.592 5.963 1.00 0.00 H new ATOM 0 HE ARG A 81 25.691 -1.811 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.051 -0.740 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.287 0.521 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 81 27.276 -0.188 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 81 27.542 0.832 4.711 1.00 0.00 H new ATOM 1165 N ASN A 82 20.292 -6.799 3.754 1.00 0.00 N ATOM 1166 CA ASN A 82 19.151 -7.527 4.298 1.00 0.00 C ATOM 1167 C ASN A 82 18.457 -6.715 5.387 1.00 0.00 C ATOM 1168 O ASN A 82 17.896 -7.274 6.331 1.00 0.00 O ATOM 1169 CB ASN A 82 19.602 -8.876 4.861 1.00 0.00 C ATOM 1170 CG ASN A 82 20.550 -8.725 6.034 1.00 0.00 C ATOM 1171 OD1 ASN A 82 21.763 -8.605 5.856 1.00 0.00 O ATOM 1172 ND2 ASN A 82 20.001 -8.730 7.243 1.00 0.00 N ATOM 0 H ASN A 82 20.360 -6.820 2.736 1.00 0.00 H new ATOM 0 HA ASN A 82 18.441 -7.698 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.728 -9.446 5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.091 -9.450 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.589 -8.632 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.991 -8.832 7.344 1.00 0.00 H new ATOM 1179 N LEU A 83 18.499 -5.394 5.250 1.00 0.00 N ATOM 1180 CA LEU A 83 17.873 -4.504 6.222 1.00 0.00 C ATOM 1181 C LEU A 83 16.354 -4.637 6.184 1.00 0.00 C ATOM 1182 O LEU A 83 15.712 -4.248 5.209 1.00 0.00 O ATOM 1183 CB LEU A 83 18.277 -3.054 5.949 1.00 0.00 C ATOM 1184 CG LEU A 83 19.549 -2.569 6.645 1.00 0.00 C ATOM 1185 CD1 LEU A 83 19.982 -1.223 6.086 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.333 -2.480 8.148 1.00 0.00 C ATOM 0 H LEU A 83 18.960 -4.916 4.476 1.00 0.00 H new ATOM 0 HA LEU A 83 18.219 -4.790 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.405 -2.930 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.453 -2.406 6.248 1.00 0.00 H new ATOM 0 HG LEU A 83 20.343 -3.291 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.889 -0.893 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.178 -1.319 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.190 -0.491 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.249 -2.133 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.525 -1.779 8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.070 -3.464 8.537 1.00 0.00 H new ATOM 1198 N GLN A 84 15.786 -5.188 7.252 1.00 0.00 N ATOM 1199 CA GLN A 84 14.342 -5.371 7.340 1.00 0.00 C ATOM 1200 C GLN A 84 13.669 -4.121 7.897 1.00 0.00 C ATOM 1201 O GLN A 84 14.077 -3.592 8.931 1.00 0.00 O ATOM 1202 CB GLN A 84 14.013 -6.577 8.221 1.00 0.00 C ATOM 1203 CG GLN A 84 12.600 -7.104 8.026 1.00 0.00 C ATOM 1204 CD GLN A 84 11.598 -6.442 8.952 1.00 0.00 C ATOM 1205 OE1 GLN A 84 11.946 -5.551 9.727 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.345 -6.874 8.874 1.00 0.00 N ATOM 0 H GLN A 84 16.303 -5.515 8.068 1.00 0.00 H new ATOM 0 HA GLN A 84 13.961 -5.550 6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.723 -7.376 8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.148 -6.301 9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.295 -6.943 6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.591 -8.181 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.101 -7.615 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.626 -6.465 9.471 1.00 0.00 H new ATOM 1215 N SER A 85 12.636 -3.653 7.204 1.00 0.00 N ATOM 1216 CA SER A 85 11.908 -2.462 7.627 1.00 0.00 C ATOM 1217 C SER A 85 10.403 -2.716 7.624 1.00 0.00 C ATOM 1218 O SER A 85 9.952 -3.832 7.368 1.00 0.00 O ATOM 1219 CB SER A 85 12.239 -1.283 6.710 1.00 0.00 C ATOM 1220 OG SER A 85 13.638 -1.168 6.513 1.00 0.00 O ATOM 0 H SER A 85 12.284 -4.080 6.347 1.00 0.00 H new ATOM 0 HA SER A 85 12.217 -2.220 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.743 -1.415 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.853 -0.361 7.144 1.00 0.00 H new ATOM 0 HG SER A 85 13.812 -0.643 5.704 1.00 0.00 H new ATOM 1226 N GLN A 86 9.633 -1.671 7.911 1.00 0.00 N ATOM 1227 CA GLN A 86 8.179 -1.780 7.942 1.00 0.00 C ATOM 1228 C GLN A 86 7.528 -0.407 7.819 1.00 0.00 C ATOM 1229 O GLN A 86 7.960 0.556 8.453 1.00 0.00 O ATOM 1230 CB GLN A 86 7.725 -2.459 9.235 1.00 0.00 C ATOM 1231 CG GLN A 86 6.431 -3.242 9.090 1.00 0.00 C ATOM 1232 CD GLN A 86 5.966 -3.850 10.398 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.324 -3.184 11.212 1.00 0.00 O ATOM 1234 NE2 GLN A 86 6.288 -5.121 10.609 1.00 0.00 N ATOM 0 H GLN A 86 9.991 -0.740 8.125 1.00 0.00 H new ATOM 0 HA GLN A 86 7.867 -2.387 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.511 -3.133 9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.596 -1.701 10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.654 -2.583 8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.571 -4.035 8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.821 -5.635 9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.002 -5.583 11.472 1.00 0.00 H new ATOM 1243 N SER A 87 6.485 -0.323 6.998 1.00 0.00 N ATOM 1244 CA SER A 87 5.776 0.934 6.788 1.00 0.00 C ATOM 1245 C SER A 87 4.302 0.682 6.487 1.00 0.00 C ATOM 1246 O SER A 87 3.952 0.174 5.422 1.00 0.00 O ATOM 1247 CB SER A 87 6.416 1.719 5.641 1.00 0.00 C ATOM 1248 OG SER A 87 6.009 3.076 5.664 1.00 0.00 O ATOM 0 H SER A 87 6.113 -1.111 6.468 1.00 0.00 H new ATOM 0 HA SER A 87 5.847 1.521 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.502 1.660 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.138 1.269 4.688 1.00 0.00 H new ATOM 0 HG SER A 87 6.712 3.621 6.075 1.00 0.00 H new ATOM 1254 N SER A 88 3.441 1.041 7.435 1.00 0.00 N ATOM 1255 CA SER A 88 2.005 0.852 7.274 1.00 0.00 C ATOM 1256 C SER A 88 1.325 2.159 6.879 1.00 0.00 C ATOM 1257 O SER A 88 1.772 3.243 7.254 1.00 0.00 O ATOM 1258 CB SER A 88 1.392 0.316 8.570 1.00 0.00 C ATOM 1259 OG SER A 88 2.257 -0.614 9.197 1.00 0.00 O ATOM 0 H SER A 88 3.714 1.464 8.322 1.00 0.00 H new ATOM 0 HA SER A 88 1.846 0.126 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.189 1.144 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.436 -0.161 8.354 1.00 0.00 H new ATOM 0 HG SER A 88 2.109 -1.506 8.818 1.00 0.00 H new ATOM 1265 N VAL A 89 0.240 2.048 6.119 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.504 3.221 5.673 1.00 0.00 C ATOM 1267 C VAL A 89 -1.989 3.081 5.986 1.00 0.00 C ATOM 1268 O VAL A 89 -2.556 1.994 5.882 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.329 3.454 4.161 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.913 2.293 3.370 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -0.973 4.769 3.747 1.00 0.00 C ATOM 0 H VAL A 89 -0.143 1.159 5.799 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.101 4.077 6.214 1.00 0.00 H new ATOM 0 HB VAL A 89 0.737 3.512 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.780 2.476 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.402 1.371 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.976 2.200 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.840 4.918 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.037 4.742 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.504 5.590 4.288 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.615 4.189 6.370 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.035 4.191 6.698 1.00 0.00 C ATOM 1283 C ASN A 90 -4.879 4.491 5.463 1.00 0.00 C ATOM 1284 O ASN A 90 -4.790 5.575 4.886 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.326 5.221 7.792 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.992 4.703 9.177 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.039 3.499 9.431 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.651 5.614 10.082 1.00 0.00 N ATOM 0 H ASN A 90 -2.160 5.097 6.462 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.299 3.199 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.751 6.126 7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.379 5.498 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.415 5.326 11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.625 6.601 9.827 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.698 3.524 5.063 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.560 3.685 3.898 1.00 0.00 C ATOM 1297 C VAL A 91 -8.024 3.796 4.308 1.00 0.00 C ATOM 1298 O VAL A 91 -8.657 2.801 4.662 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.401 2.509 2.915 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.347 2.668 1.735 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.959 2.402 2.443 1.00 0.00 C ATOM 0 H VAL A 91 -5.783 2.620 5.529 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.254 4.607 3.403 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.659 1.586 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.220 1.828 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.376 2.692 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.124 3.598 1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.864 1.566 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.671 3.325 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.307 2.237 3.301 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.557 5.012 4.256 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.947 5.252 4.621 1.00 0.00 C ATOM 1313 C ILE A 92 -10.840 5.294 3.385 1.00 0.00 C ATOM 1314 O ILE A 92 -10.499 5.918 2.380 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.105 6.572 5.400 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.351 6.498 6.729 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.577 6.875 5.635 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.839 7.838 7.209 1.00 0.00 C ATOM 0 H ILE A 92 -8.047 5.846 3.965 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.253 4.424 5.260 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.678 7.381 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.010 6.077 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.509 5.814 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.672 7.810 6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.087 6.965 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.027 6.067 6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.315 7.709 8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.154 8.252 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.678 8.519 7.348 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.987 4.628 3.468 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.932 4.591 2.358 1.00 0.00 C ATOM 1332 C VAL A 93 -14.282 5.169 2.766 1.00 0.00 C ATOM 1333 O VAL A 93 -14.840 4.803 3.801 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.136 3.154 1.842 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.149 3.133 0.707 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.810 2.555 1.396 1.00 0.00 C ATOM 0 H VAL A 93 -12.285 4.107 4.293 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.506 5.199 1.560 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.527 2.546 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.280 2.110 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.104 3.519 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.790 3.755 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.973 1.540 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.388 3.162 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.119 2.534 2.238 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.804 6.075 1.946 1.00 0.00 N ATOM 1347 CA LYS A 94 -16.090 6.705 2.218 1.00 0.00 C ATOM 1348 C LYS A 94 -17.067 6.467 1.071 1.00 0.00 C ATOM 1349 O LYS A 94 -16.690 5.942 0.023 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.909 8.207 2.444 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.304 8.550 3.795 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.707 9.948 3.800 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.992 10.243 5.109 1.00 0.00 C ATOM 1354 NZ LYS A 94 -13.638 11.684 5.235 1.00 0.00 N ATOM 0 H LYS A 94 -14.355 6.390 1.086 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.501 6.255 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.272 8.610 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.877 8.699 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -16.070 8.478 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.531 7.823 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.007 10.049 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.496 10.683 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.628 9.951 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.086 9.640 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.152 11.844 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.010 11.957 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.504 12.259 5.200 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.321 6.857 1.276 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.350 6.687 0.257 1.00 0.00 C ATOM 1370 C GLU A 95 -19.369 7.874 -0.701 1.00 0.00 C ATOM 1371 O GLU A 95 -18.933 8.971 -0.354 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.723 6.522 0.910 1.00 0.00 C ATOM 1373 CG GLU A 95 -21.055 5.085 1.275 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.640 4.308 0.111 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.879 4.323 -0.048 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -20.860 3.686 -0.639 1.00 0.00 O ATOM 0 H GLU A 95 -18.649 7.293 2.138 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.116 5.787 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.764 7.135 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.487 6.901 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.152 4.585 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.763 5.079 2.104 1.00 0.00 H new ATOM 1383 N GLU A 96 -19.877 7.645 -1.908 1.00 0.00 N ATOM 1384 CA GLU A 96 -19.951 8.696 -2.917 1.00 0.00 C ATOM 1385 C GLU A 96 -20.582 9.960 -2.340 1.00 0.00 C ATOM 1386 O GLU A 96 -21.802 10.053 -2.206 1.00 0.00 O ATOM 1387 CB GLU A 96 -20.758 8.217 -4.125 1.00 0.00 C ATOM 1388 CG GLU A 96 -20.785 9.213 -5.273 1.00 0.00 C ATOM 1389 CD GLU A 96 -21.948 8.983 -6.217 1.00 0.00 C ATOM 1390 OE1 GLU A 96 -23.108 9.130 -5.777 1.00 0.00 O ATOM 1391 OE2 GLU A 96 -21.700 8.655 -7.397 1.00 0.00 O ATOM 0 H GLU A 96 -20.243 6.742 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.936 8.930 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -20.339 7.276 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -21.781 8.011 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.843 10.224 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -19.851 9.145 -5.830 1.00 0.00 H new ATOM 1398 N SER A 97 -19.741 10.931 -1.999 1.00 0.00 N ATOM 1399 CA SER A 97 -20.214 12.188 -1.432 1.00 0.00 C ATOM 1400 C SER A 97 -21.330 12.783 -2.285 1.00 0.00 C ATOM 1401 O SER A 97 -21.205 12.889 -3.505 1.00 0.00 O ATOM 1402 CB SER A 97 -19.060 13.186 -1.313 1.00 0.00 C ATOM 1403 OG SER A 97 -19.461 14.349 -0.611 1.00 0.00 O ATOM 0 H SER A 97 -18.728 10.871 -2.106 1.00 0.00 H new ATOM 0 HA SER A 97 -20.610 11.982 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 97 -18.222 12.717 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.709 13.461 -2.308 1.00 0.00 H new ATOM 0 HG SER A 97 -18.705 14.970 -0.547 1.00 0.00 H new ATOM 1409 N GLY A 98 -22.422 13.172 -1.634 1.00 0.00 N ATOM 1410 CA GLY A 98 -23.545 13.751 -2.348 1.00 0.00 C ATOM 1411 C GLY A 98 -24.535 12.705 -2.818 1.00 0.00 C ATOM 1412 O GLY A 98 -24.224 11.516 -2.899 1.00 0.00 O ATOM 0 H GLY A 98 -22.549 13.096 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -24.055 14.464 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.176 14.310 -3.208 1.00 0.00 H new ATOM 1416 N PRO A 99 -25.761 13.146 -3.137 1.00 0.00 N ATOM 1417 CA PRO A 99 -26.826 12.254 -3.606 1.00 0.00 C ATOM 1418 C PRO A 99 -26.553 11.709 -5.003 1.00 0.00 C ATOM 1419 O PRO A 99 -25.550 12.052 -5.628 1.00 0.00 O ATOM 1420 CB PRO A 99 -28.064 13.155 -3.616 1.00 0.00 C ATOM 1421 CG PRO A 99 -27.527 14.535 -3.776 1.00 0.00 C ATOM 1422 CD PRO A 99 -26.202 14.549 -3.065 1.00 0.00 C ATOM 0 HA PRO A 99 -26.928 11.373 -2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -28.736 12.895 -4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -28.633 13.056 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -27.407 14.787 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -28.208 15.271 -3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -25.492 15.219 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -26.303 14.886 -2.033 1.00 0.00 H new ATOM 1430 N SER A 100 -27.451 10.857 -5.488 1.00 0.00 N ATOM 1431 CA SER A 100 -27.304 10.262 -6.811 1.00 0.00 C ATOM 1432 C SER A 100 -28.603 9.595 -7.253 1.00 0.00 C ATOM 1433 O SER A 100 -29.478 9.310 -6.435 1.00 0.00 O ATOM 1434 CB SER A 100 -26.167 9.238 -6.809 1.00 0.00 C ATOM 1435 OG SER A 100 -25.762 8.925 -8.130 1.00 0.00 O ATOM 0 H SER A 100 -28.288 10.563 -4.984 1.00 0.00 H new ATOM 0 HA SER A 100 -27.066 11.058 -7.516 1.00 0.00 H new ATOM 0 HB2 SER A 100 -25.319 9.632 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 100 -26.491 8.330 -6.300 1.00 0.00 H new ATOM 0 HG SER A 100 -25.033 8.270 -8.102 1.00 0.00 H new ATOM 1441 N SER A 101 -28.721 9.349 -8.554 1.00 0.00 N ATOM 1442 CA SER A 101 -29.914 8.719 -9.108 1.00 0.00 C ATOM 1443 C SER A 101 -29.542 7.528 -9.986 1.00 0.00 C ATOM 1444 O SER A 101 -28.402 7.403 -10.430 1.00 0.00 O ATOM 1445 CB SER A 101 -30.722 9.734 -9.920 1.00 0.00 C ATOM 1446 OG SER A 101 -31.130 10.824 -9.113 1.00 0.00 O ATOM 0 H SER A 101 -28.005 9.576 -9.244 1.00 0.00 H new ATOM 0 HA SER A 101 -30.524 8.360 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 101 -30.121 10.099 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 101 -31.598 9.247 -10.348 1.00 0.00 H new ATOM 0 HG SER A 101 -31.643 11.459 -9.656 1.00 0.00 H new ATOM 1452 N GLY A 102 -30.514 6.656 -10.232 1.00 0.00 N ATOM 1453 CA GLY A 102 -30.270 5.486 -11.056 1.00 0.00 C ATOM 1454 C GLY A 102 -29.322 4.502 -10.399 1.00 0.00 C ATOM 1455 O GLY A 102 -29.316 4.358 -9.177 1.00 0.00 O ATOM 0 H GLY A 102 -31.466 6.738 -9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -31.217 4.989 -11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -29.856 5.800 -12.014 1.00 0.00 H new TER 1459 GLY A 102