USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 639 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 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0231) USER MOD Set 1.2: 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0588 K(o=-0.059,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0671 (180deg=-0.432) USER MOD Single : A 40 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -3.8 X(o=-3.8,f=-3.8) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.126 (180deg=-0.505) USER MOD Single : A 68 CYS SG : rot 180:sc=-0.00772 USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0672) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.122 USER MOD Single : A 90 SER OG : rot 180:sc= -0.169 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.990 13.876 -19.816 1.00 0.00 N ATOM 2 CA GLY A 1 -3.998 12.609 -19.108 1.00 0.00 C ATOM 3 C GLY A 1 -4.211 12.779 -17.617 1.00 0.00 C ATOM 4 O GLY A 1 -3.550 12.126 -16.810 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.774 13.711 -20.820 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.924 14.326 -19.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.267 14.499 -19.404 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.786 11.974 -19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.053 12.094 -19.280 1.00 0.00 H new ATOM 8 N SER A 2 -5.136 13.660 -17.250 1.00 0.00 N ATOM 9 CA SER A 2 -5.431 13.918 -15.845 1.00 0.00 C ATOM 10 C SER A 2 -6.903 13.654 -15.542 1.00 0.00 C ATOM 11 O SER A 2 -7.719 13.507 -16.451 1.00 0.00 O ATOM 12 CB SER A 2 -5.075 15.362 -15.485 1.00 0.00 C ATOM 13 OG SER A 2 -4.730 16.106 -16.640 1.00 0.00 O ATOM 0 H SER A 2 -5.694 14.207 -17.906 1.00 0.00 H new ATOM 0 HA SER A 2 -4.827 13.241 -15.241 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.920 15.834 -14.984 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.242 15.370 -14.782 1.00 0.00 H new ATOM 0 HG SER A 2 -4.509 17.025 -16.383 1.00 0.00 H new ATOM 19 N SER A 3 -7.234 13.596 -14.256 1.00 0.00 N ATOM 20 CA SER A 3 -8.606 13.346 -13.830 1.00 0.00 C ATOM 21 C SER A 3 -9.070 14.410 -12.839 1.00 0.00 C ATOM 22 O SER A 3 -10.170 14.947 -12.957 1.00 0.00 O ATOM 23 CB SER A 3 -8.721 11.958 -13.197 1.00 0.00 C ATOM 24 OG SER A 3 -9.539 11.107 -13.981 1.00 0.00 O ATOM 0 H SER A 3 -6.571 13.719 -13.491 1.00 0.00 H new ATOM 0 HA SER A 3 -9.247 13.390 -14.710 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.729 11.519 -13.093 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.138 12.046 -12.194 1.00 0.00 H new ATOM 0 HG SER A 3 -9.596 10.226 -13.556 1.00 0.00 H new ATOM 30 N GLY A 4 -8.220 14.709 -11.861 1.00 0.00 N ATOM 31 CA GLY A 4 -8.559 15.706 -10.863 1.00 0.00 C ATOM 32 C GLY A 4 -7.336 16.401 -10.298 1.00 0.00 C ATOM 33 O GLY A 4 -6.485 15.765 -9.676 1.00 0.00 O ATOM 0 H GLY A 4 -7.303 14.278 -11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.222 16.448 -11.307 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.110 15.230 -10.052 1.00 0.00 H new ATOM 37 N SER A 5 -7.247 17.709 -10.515 1.00 0.00 N ATOM 38 CA SER A 5 -6.116 18.489 -10.028 1.00 0.00 C ATOM 39 C SER A 5 -6.152 18.607 -8.507 1.00 0.00 C ATOM 40 O SER A 5 -7.223 18.633 -7.901 1.00 0.00 O ATOM 41 CB SER A 5 -6.120 19.883 -10.658 1.00 0.00 C ATOM 42 OG SER A 5 -5.003 20.641 -10.228 1.00 0.00 O ATOM 0 H SER A 5 -7.945 18.251 -11.025 1.00 0.00 H new ATOM 0 HA SER A 5 -5.200 17.971 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.107 19.794 -11.744 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.040 20.403 -10.392 1.00 0.00 H new ATOM 0 HG SER A 5 -5.028 21.527 -10.646 1.00 0.00 H new ATOM 48 N SER A 6 -4.973 18.678 -7.897 1.00 0.00 N ATOM 49 CA SER A 6 -4.869 18.789 -6.446 1.00 0.00 C ATOM 50 C SER A 6 -4.443 20.196 -6.039 1.00 0.00 C ATOM 51 O SER A 6 -3.575 20.800 -6.667 1.00 0.00 O ATOM 52 CB SER A 6 -3.869 17.764 -5.906 1.00 0.00 C ATOM 53 OG SER A 6 -3.480 18.081 -4.581 1.00 0.00 O ATOM 0 H SER A 6 -4.077 18.661 -8.384 1.00 0.00 H new ATOM 0 HA SER A 6 -5.851 18.588 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.314 16.769 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.990 17.735 -6.550 1.00 0.00 H new ATOM 0 HG SER A 6 -2.842 17.411 -4.258 1.00 0.00 H new ATOM 59 N GLY A 7 -5.061 20.711 -4.980 1.00 0.00 N ATOM 60 CA GLY A 7 -4.734 22.043 -4.506 1.00 0.00 C ATOM 61 C GLY A 7 -3.637 22.032 -3.459 1.00 0.00 C ATOM 62 O GLY A 7 -3.116 20.974 -3.107 1.00 0.00 O ATOM 0 H GLY A 7 -5.782 20.230 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.421 22.659 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.627 22.506 -4.087 1.00 0.00 H new ATOM 66 N HIS A 8 -3.286 23.213 -2.960 1.00 0.00 N ATOM 67 CA HIS A 8 -2.243 23.336 -1.948 1.00 0.00 C ATOM 68 C HIS A 8 -2.846 23.352 -0.546 1.00 0.00 C ATOM 69 O HIS A 8 -3.390 24.365 -0.106 1.00 0.00 O ATOM 70 CB HIS A 8 -1.425 24.607 -2.178 1.00 0.00 C ATOM 71 CG HIS A 8 -0.269 24.414 -3.111 1.00 0.00 C ATOM 72 ND1 HIS A 8 -0.353 24.633 -4.469 1.00 0.00 N ATOM 73 CD2 HIS A 8 1.004 24.022 -2.872 1.00 0.00 C ATOM 74 CE1 HIS A 8 0.818 24.383 -5.027 1.00 0.00 C ATOM 75 NE2 HIS A 8 1.659 24.010 -4.079 1.00 0.00 N ATOM 0 H HIS A 8 -3.708 24.098 -3.240 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.586 22.471 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.078 25.383 -2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.052 24.967 -1.220 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.426 23.766 -1.911 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.048 24.469 -6.079 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.636 23.755 -4.221 1.00 0.00 H new ATOM 83 N SER A 9 -2.746 22.224 0.149 1.00 0.00 N ATOM 84 CA SER A 9 -3.286 22.107 1.498 1.00 0.00 C ATOM 85 C SER A 9 -2.871 20.785 2.137 1.00 0.00 C ATOM 86 O SER A 9 -3.221 19.710 1.650 1.00 0.00 O ATOM 87 CB SER A 9 -4.812 22.216 1.471 1.00 0.00 C ATOM 88 OG SER A 9 -5.315 22.648 2.724 1.00 0.00 O ATOM 0 H SER A 9 -2.296 21.378 -0.200 1.00 0.00 H new ATOM 0 HA SER A 9 -2.881 22.923 2.096 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.116 22.916 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.244 21.248 1.216 1.00 0.00 H new ATOM 0 HG SER A 9 -6.292 22.711 2.680 1.00 0.00 H new ATOM 94 N SER A 10 -2.122 20.874 3.231 1.00 0.00 N ATOM 95 CA SER A 10 -1.654 19.685 3.936 1.00 0.00 C ATOM 96 C SER A 10 -2.074 19.724 5.403 1.00 0.00 C ATOM 97 O SER A 10 -1.925 20.743 6.075 1.00 0.00 O ATOM 98 CB SER A 10 -0.132 19.570 3.832 1.00 0.00 C ATOM 99 OG SER A 10 0.507 20.324 4.847 1.00 0.00 O ATOM 0 H SER A 10 -1.826 21.756 3.649 1.00 0.00 H new ATOM 0 HA SER A 10 -2.109 18.812 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.163 18.524 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.196 19.920 2.853 1.00 0.00 H new ATOM 0 HG SER A 10 1.479 20.233 4.760 1.00 0.00 H new ATOM 105 N ALA A 11 -2.598 18.604 5.891 1.00 0.00 N ATOM 106 CA ALA A 11 -3.037 18.508 7.277 1.00 0.00 C ATOM 107 C ALA A 11 -2.323 17.372 8.001 1.00 0.00 C ATOM 108 O ALA A 11 -2.877 16.763 8.916 1.00 0.00 O ATOM 109 CB ALA A 11 -4.545 18.312 7.341 1.00 0.00 C ATOM 0 H ALA A 11 -2.729 17.751 5.347 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.782 19.441 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.859 18.242 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.042 19.159 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.815 17.395 6.818 1.00 0.00 H new ATOM 115 N GLN A 12 -1.092 17.092 7.585 1.00 0.00 N ATOM 116 CA GLN A 12 -0.304 16.028 8.195 1.00 0.00 C ATOM 117 C GLN A 12 0.997 16.576 8.773 1.00 0.00 C ATOM 118 O GLN A 12 1.376 17.716 8.503 1.00 0.00 O ATOM 119 CB GLN A 12 0.002 14.938 7.166 1.00 0.00 C ATOM 120 CG GLN A 12 0.787 15.438 5.964 1.00 0.00 C ATOM 121 CD GLN A 12 0.673 14.515 4.767 1.00 0.00 C ATOM 122 OE1 GLN A 12 1.614 13.796 4.431 1.00 0.00 O ATOM 123 NE2 GLN A 12 -0.484 14.530 4.116 1.00 0.00 N ATOM 0 H GLN A 12 -0.619 17.587 6.829 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.889 15.598 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.565 14.140 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.936 14.502 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.429 16.430 5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.837 15.543 6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.238 15.142 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.619 13.930 3.303 1.00 0.00 H new ATOM 132 N PHE A 13 1.676 15.758 9.570 1.00 0.00 N ATOM 133 CA PHE A 13 2.933 16.162 10.188 1.00 0.00 C ATOM 134 C PHE A 13 4.087 15.300 9.686 1.00 0.00 C ATOM 135 O PHE A 13 4.059 14.074 9.807 1.00 0.00 O ATOM 136 CB PHE A 13 2.832 16.063 11.712 1.00 0.00 C ATOM 137 CG PHE A 13 3.777 16.978 12.436 1.00 0.00 C ATOM 138 CD1 PHE A 13 5.121 16.660 12.550 1.00 0.00 C ATOM 139 CD2 PHE A 13 3.322 18.158 13.003 1.00 0.00 C ATOM 140 CE1 PHE A 13 5.993 17.500 13.216 1.00 0.00 C ATOM 141 CE2 PHE A 13 4.190 19.002 13.669 1.00 0.00 C ATOM 142 CZ PHE A 13 5.527 18.673 13.777 1.00 0.00 C ATOM 0 H PHE A 13 1.377 14.811 9.803 1.00 0.00 H new ATOM 0 HA PHE A 13 3.129 17.198 9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.811 16.294 12.016 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.030 15.035 12.015 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.491 15.744 12.113 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.277 18.421 12.923 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.038 17.240 13.298 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.823 19.919 14.105 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.206 19.331 14.299 1.00 0.00 H new ATOM 152 N ILE A 14 5.101 15.948 9.122 1.00 0.00 N ATOM 153 CA ILE A 14 6.265 15.241 8.602 1.00 0.00 C ATOM 154 C ILE A 14 7.387 15.196 9.634 1.00 0.00 C ATOM 155 O ILE A 14 7.513 16.092 10.468 1.00 0.00 O ATOM 156 CB ILE A 14 6.794 15.899 7.313 1.00 0.00 C ATOM 157 CG1 ILE A 14 5.644 16.151 6.335 1.00 0.00 C ATOM 158 CG2 ILE A 14 7.860 15.024 6.672 1.00 0.00 C ATOM 159 CD1 ILE A 14 4.888 14.898 5.955 1.00 0.00 C ATOM 0 H ILE A 14 5.140 16.961 9.014 1.00 0.00 H new ATOM 0 HA ILE A 14 5.942 14.225 8.375 1.00 0.00 H new ATOM 0 HB ILE A 14 7.245 16.858 7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.949 16.864 6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.041 16.614 5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.224 15.502 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.688 14.890 7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.433 14.052 6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.088 15.153 5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.569 14.192 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.461 14.445 6.850 1.00 0.00 H new ATOM 171 N ASP A 15 8.199 14.147 9.570 1.00 0.00 N ATOM 172 CA ASP A 15 9.314 13.986 10.497 1.00 0.00 C ATOM 173 C ASP A 15 10.380 13.066 9.910 1.00 0.00 C ATOM 174 O ASP A 15 10.639 11.984 10.436 1.00 0.00 O ATOM 175 CB ASP A 15 8.818 13.426 11.831 1.00 0.00 C ATOM 176 CG ASP A 15 7.645 12.480 11.662 1.00 0.00 C ATOM 177 OD1 ASP A 15 6.500 12.967 11.559 1.00 0.00 O ATOM 178 OD2 ASP A 15 7.872 11.252 11.634 1.00 0.00 O ATOM 0 H ASP A 15 8.107 13.396 8.887 1.00 0.00 H new ATOM 0 HA ASP A 15 9.759 14.967 10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.635 12.902 12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.525 14.250 12.481 1.00 0.00 H new ATOM 183 N SER A 16 10.995 13.504 8.816 1.00 0.00 N ATOM 184 CA SER A 16 12.030 12.718 8.154 1.00 0.00 C ATOM 185 C SER A 16 11.488 11.359 7.724 1.00 0.00 C ATOM 186 O SER A 16 10.308 11.060 7.913 1.00 0.00 O ATOM 187 CB SER A 16 13.230 12.530 9.084 1.00 0.00 C ATOM 188 OG SER A 16 14.358 12.054 8.371 1.00 0.00 O ATOM 0 H SER A 16 10.795 14.399 8.369 1.00 0.00 H new ATOM 0 HA SER A 16 12.350 13.260 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.473 13.477 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.973 11.827 9.876 1.00 0.00 H new ATOM 0 HG SER A 16 15.112 11.944 8.987 1.00 0.00 H new ATOM 194 N TYR A 17 12.357 10.539 7.144 1.00 0.00 N ATOM 195 CA TYR A 17 11.966 9.212 6.684 1.00 0.00 C ATOM 196 C TYR A 17 12.846 8.136 7.313 1.00 0.00 C ATOM 197 O TYR A 17 14.048 8.071 7.053 1.00 0.00 O ATOM 198 CB TYR A 17 12.056 9.131 5.159 1.00 0.00 C ATOM 199 CG TYR A 17 11.447 10.321 4.453 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.140 10.715 4.713 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.179 11.053 3.525 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.580 11.801 4.069 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.627 12.141 2.878 1.00 0.00 C ATOM 204 CZ TYR A 17 10.327 12.511 3.153 1.00 0.00 C ATOM 205 OH TYR A 17 9.773 13.595 2.511 1.00 0.00 O ATOM 0 H TYR A 17 13.337 10.770 6.981 1.00 0.00 H new ATOM 0 HA TYR A 17 10.935 9.039 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.103 9.044 4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.555 8.223 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.552 10.163 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.197 10.766 3.306 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.562 12.093 4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.210 12.699 2.160 1.00 0.00 H new ATOM 0 HH TYR A 17 10.432 13.985 1.899 1.00 0.00 H new ATOM 215 N ILE A 18 12.238 7.295 8.143 1.00 0.00 N ATOM 216 CA ILE A 18 12.964 6.221 8.809 1.00 0.00 C ATOM 217 C ILE A 18 12.439 4.854 8.381 1.00 0.00 C ATOM 218 O ILE A 18 11.235 4.600 8.419 1.00 0.00 O ATOM 219 CB ILE A 18 12.865 6.339 10.341 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.181 7.769 10.785 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.806 5.350 11.011 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.551 8.245 10.358 1.00 0.00 C ATOM 0 H ILE A 18 11.244 7.337 8.370 1.00 0.00 H new ATOM 0 HA ILE A 18 14.009 6.316 8.512 1.00 0.00 H new ATOM 0 HB ILE A 18 11.845 6.101 10.644 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.428 8.443 10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.107 7.829 11.871 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.724 5.446 12.094 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.538 4.336 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.831 5.558 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.707 9.266 10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.313 7.595 10.788 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.623 8.218 9.271 1.00 0.00 H new ATOM 234 N CYS A 19 13.351 3.977 7.974 1.00 0.00 N ATOM 235 CA CYS A 19 12.981 2.635 7.540 1.00 0.00 C ATOM 236 C CYS A 19 12.115 1.944 8.588 1.00 0.00 C ATOM 237 O CYS A 19 12.185 2.264 9.775 1.00 0.00 O ATOM 238 CB CYS A 19 14.235 1.802 7.268 1.00 0.00 C ATOM 239 SG CYS A 19 13.916 0.252 6.365 1.00 0.00 S ATOM 0 H CYS A 19 14.352 4.172 7.936 1.00 0.00 H new ATOM 0 HA CYS A 19 12.404 2.723 6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.941 2.404 6.697 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.714 1.565 8.218 1.00 0.00 H new ATOM 244 N GLN A 20 11.300 0.994 8.141 1.00 0.00 N ATOM 245 CA GLN A 20 10.419 0.258 9.041 1.00 0.00 C ATOM 246 C GLN A 20 10.907 -1.175 9.227 1.00 0.00 C ATOM 247 O GLN A 20 10.135 -2.062 9.594 1.00 0.00 O ATOM 248 CB GLN A 20 8.988 0.256 8.500 1.00 0.00 C ATOM 249 CG GLN A 20 8.184 1.481 8.903 1.00 0.00 C ATOM 250 CD GLN A 20 7.730 1.431 10.349 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.797 0.386 10.997 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.266 2.564 10.863 1.00 0.00 N ATOM 0 H GLN A 20 11.231 0.716 7.162 1.00 0.00 H new ATOM 0 HA GLN A 20 10.432 0.756 10.010 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.020 0.194 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.475 -0.638 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.788 2.375 8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.312 1.568 8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.228 3.407 10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.947 2.592 11.831 1.00 0.00 H new ATOM 261 N VAL A 21 12.192 -1.396 8.970 1.00 0.00 N ATOM 262 CA VAL A 21 12.783 -2.722 9.110 1.00 0.00 C ATOM 263 C VAL A 21 14.079 -2.664 9.911 1.00 0.00 C ATOM 264 O VAL A 21 14.329 -3.511 10.770 1.00 0.00 O ATOM 265 CB VAL A 21 13.069 -3.357 7.736 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.712 -4.725 7.904 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.790 -3.456 6.919 1.00 0.00 C ATOM 0 H VAL A 21 12.844 -0.674 8.664 1.00 0.00 H new ATOM 0 HA VAL A 21 12.058 -3.337 9.642 1.00 0.00 H new ATOM 0 HB VAL A 21 13.768 -2.717 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.907 -5.158 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.651 -4.621 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.040 -5.377 8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.010 -3.907 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.066 -4.073 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.376 -2.459 6.769 1.00 0.00 H new ATOM 277 N CYS A 22 14.900 -1.660 9.625 1.00 0.00 N ATOM 278 CA CYS A 22 16.172 -1.490 10.319 1.00 0.00 C ATOM 279 C CYS A 22 16.178 -0.200 11.134 1.00 0.00 C ATOM 280 O CYS A 22 17.009 -0.021 12.024 1.00 0.00 O ATOM 281 CB CYS A 22 17.326 -1.477 9.315 1.00 0.00 C ATOM 282 SG CYS A 22 17.272 -0.089 8.137 1.00 0.00 S ATOM 0 H CYS A 22 14.708 -0.951 8.917 1.00 0.00 H new ATOM 0 HA CYS A 22 16.301 -2.331 11.001 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.268 -1.439 9.862 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.319 -2.413 8.757 1.00 0.00 H new ATOM 287 N SER A 23 15.246 0.695 10.823 1.00 0.00 N ATOM 288 CA SER A 23 15.147 1.970 11.524 1.00 0.00 C ATOM 289 C SER A 23 16.394 2.817 11.291 1.00 0.00 C ATOM 290 O SER A 23 17.134 3.123 12.226 1.00 0.00 O ATOM 291 CB SER A 23 14.948 1.738 13.023 1.00 0.00 C ATOM 292 OG SER A 23 14.199 0.558 13.261 1.00 0.00 O ATOM 0 H SER A 23 14.549 0.561 10.091 1.00 0.00 H new ATOM 0 HA SER A 23 14.285 2.507 11.129 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.918 1.662 13.514 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.434 2.593 13.462 1.00 0.00 H new ATOM 0 HG SER A 23 14.087 0.431 14.226 1.00 0.00 H new ATOM 298 N ARG A 24 16.619 3.193 10.036 1.00 0.00 N ATOM 299 CA ARG A 24 17.777 4.004 9.678 1.00 0.00 C ATOM 300 C ARG A 24 17.346 5.283 8.967 1.00 0.00 C ATOM 301 O ARG A 24 16.156 5.521 8.763 1.00 0.00 O ATOM 302 CB ARG A 24 18.728 3.207 8.784 1.00 0.00 C ATOM 303 CG ARG A 24 19.702 2.332 9.557 1.00 0.00 C ATOM 304 CD ARG A 24 20.776 3.165 10.240 1.00 0.00 C ATOM 305 NE ARG A 24 21.628 2.354 11.106 1.00 0.00 N ATOM 306 CZ ARG A 24 22.773 2.786 11.623 1.00 0.00 C ATOM 307 NH1 ARG A 24 23.201 4.014 11.362 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.493 1.989 12.402 1.00 0.00 N ATOM 0 H ARG A 24 16.015 2.949 9.251 1.00 0.00 H new ATOM 0 HA ARG A 24 18.296 4.277 10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.142 2.579 8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.292 3.900 8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.159 1.753 10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.170 1.619 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.389 3.656 9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.305 3.952 10.829 1.00 0.00 H new ATOM 0 HE ARG A 24 21.328 1.404 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.651 4.629 10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.080 4.343 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.168 1.044 12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.372 2.322 12.798 1.00 0.00 H new ATOM 322 N GLY A 25 18.322 6.104 8.592 1.00 0.00 N ATOM 323 CA GLY A 25 18.023 7.349 7.908 1.00 0.00 C ATOM 324 C GLY A 25 19.009 7.651 6.797 1.00 0.00 C ATOM 325 O GLY A 25 18.623 8.120 5.726 1.00 0.00 O ATOM 0 H GLY A 25 19.315 5.929 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.016 7.299 7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.030 8.167 8.629 1.00 0.00 H new ATOM 329 N ASP A 26 20.285 7.384 7.052 1.00 0.00 N ATOM 330 CA ASP A 26 21.330 7.632 6.064 1.00 0.00 C ATOM 331 C ASP A 26 21.068 6.840 4.787 1.00 0.00 C ATOM 332 O ASP A 26 21.560 7.193 3.716 1.00 0.00 O ATOM 333 CB ASP A 26 22.699 7.263 6.637 1.00 0.00 C ATOM 334 CG ASP A 26 23.751 8.315 6.345 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.872 8.724 5.171 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.453 8.730 7.291 1.00 0.00 O ATOM 0 H ASP A 26 20.621 6.996 7.933 1.00 0.00 H new ATOM 0 HA ASP A 26 21.322 8.694 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.614 7.128 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.019 6.308 6.220 1.00 0.00 H new ATOM 341 N GLU A 27 20.293 5.767 4.910 1.00 0.00 N ATOM 342 CA GLU A 27 19.969 4.925 3.765 1.00 0.00 C ATOM 343 C GLU A 27 18.792 5.500 2.982 1.00 0.00 C ATOM 344 O GLU A 27 18.366 4.933 1.975 1.00 0.00 O ATOM 345 CB GLU A 27 19.643 3.502 4.226 1.00 0.00 C ATOM 346 CG GLU A 27 20.872 2.637 4.444 1.00 0.00 C ATOM 347 CD GLU A 27 21.634 2.369 3.161 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.126 2.742 2.082 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.736 1.787 3.234 1.00 0.00 O ATOM 0 H GLU A 27 19.878 5.461 5.790 1.00 0.00 H new ATOM 0 HA GLU A 27 20.840 4.897 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.074 3.551 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.001 3.027 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.533 3.126 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.569 1.688 4.887 1.00 0.00 H new ATOM 356 N ASP A 28 18.271 6.628 3.452 1.00 0.00 N ATOM 357 CA ASP A 28 17.144 7.281 2.797 1.00 0.00 C ATOM 358 C ASP A 28 17.401 7.439 1.302 1.00 0.00 C ATOM 359 O ASP A 28 16.467 7.475 0.501 1.00 0.00 O ATOM 360 CB ASP A 28 16.881 8.648 3.430 1.00 0.00 C ATOM 361 CG ASP A 28 18.029 9.615 3.217 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.191 9.215 3.439 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.765 10.771 2.826 1.00 0.00 O ATOM 0 H ASP A 28 18.611 7.109 4.284 1.00 0.00 H new ATOM 0 HA ASP A 28 16.264 6.652 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.970 9.072 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.709 8.523 4.499 1.00 0.00 H new ATOM 368 N ASP A 29 18.674 7.535 0.933 1.00 0.00 N ATOM 369 CA ASP A 29 19.055 7.690 -0.466 1.00 0.00 C ATOM 370 C ASP A 29 18.394 6.622 -1.331 1.00 0.00 C ATOM 371 O ASP A 29 18.138 6.837 -2.516 1.00 0.00 O ATOM 372 CB ASP A 29 20.576 7.614 -0.614 1.00 0.00 C ATOM 373 CG ASP A 29 21.037 7.945 -2.019 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.007 9.138 -2.388 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.429 7.012 -2.751 1.00 0.00 O ATOM 0 H ASP A 29 19.459 7.508 1.583 1.00 0.00 H new ATOM 0 HA ASP A 29 18.713 8.668 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.042 8.303 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.914 6.612 -0.350 1.00 0.00 H new ATOM 380 N LYS A 30 18.120 5.468 -0.731 1.00 0.00 N ATOM 381 CA LYS A 30 17.489 4.365 -1.445 1.00 0.00 C ATOM 382 C LYS A 30 16.207 3.925 -0.744 1.00 0.00 C ATOM 383 O LYS A 30 15.843 2.749 -0.774 1.00 0.00 O ATOM 384 CB LYS A 30 18.454 3.182 -1.555 1.00 0.00 C ATOM 385 CG LYS A 30 19.528 3.369 -2.612 1.00 0.00 C ATOM 386 CD LYS A 30 20.489 2.193 -2.645 1.00 0.00 C ATOM 387 CE LYS A 30 20.760 1.734 -4.070 1.00 0.00 C ATOM 388 NZ LYS A 30 21.163 2.866 -4.950 1.00 0.00 N ATOM 0 H LYS A 30 18.325 5.273 0.249 1.00 0.00 H new ATOM 0 HA LYS A 30 17.234 4.712 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.932 3.022 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.885 2.280 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.061 3.486 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.081 4.287 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.428 2.475 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.074 1.366 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.547 0.980 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.866 1.260 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.743 2.506 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.313 3.329 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.715 3.554 -4.399 1.00 0.00 H new ATOM 402 N LEU A 31 15.527 4.877 -0.115 1.00 0.00 N ATOM 403 CA LEU A 31 14.284 4.588 0.593 1.00 0.00 C ATOM 404 C LEU A 31 13.090 4.658 -0.353 1.00 0.00 C ATOM 405 O LEU A 31 13.020 5.533 -1.218 1.00 0.00 O ATOM 406 CB LEU A 31 14.092 5.571 1.749 1.00 0.00 C ATOM 407 CG LEU A 31 14.288 5.002 3.154 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.055 6.078 4.203 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.357 3.820 3.385 1.00 0.00 C ATOM 0 H LEU A 31 15.815 5.855 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 31 14.349 3.576 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.787 6.399 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.086 5.985 1.684 1.00 0.00 H new ATOM 0 HG LEU A 31 15.317 4.653 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.199 5.654 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.761 6.894 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.037 6.458 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.510 3.427 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.322 4.145 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.571 3.040 2.654 1.00 0.00 H new ATOM 421 N LEU A 32 12.151 3.734 -0.182 1.00 0.00 N ATOM 422 CA LEU A 32 10.958 3.692 -1.020 1.00 0.00 C ATOM 423 C LEU A 32 9.759 4.288 -0.289 1.00 0.00 C ATOM 424 O LEU A 32 9.718 4.313 0.941 1.00 0.00 O ATOM 425 CB LEU A 32 10.652 2.251 -1.434 1.00 0.00 C ATOM 426 CG LEU A 32 11.531 1.671 -2.542 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.934 1.398 -2.023 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.912 0.399 -3.104 1.00 0.00 C ATOM 0 H LEU A 32 12.193 3.004 0.529 1.00 0.00 H new ATOM 0 HA LEU A 32 11.149 4.287 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.743 1.614 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.613 2.200 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 32 11.599 2.404 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.545 0.985 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.379 2.328 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.885 0.684 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.552 0.000 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.813 -0.340 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.928 0.624 -3.515 1.00 0.00 H new ATOM 440 N PHE A 33 8.783 4.765 -1.055 1.00 0.00 N ATOM 441 CA PHE A 33 7.582 5.360 -0.480 1.00 0.00 C ATOM 442 C PHE A 33 6.338 4.580 -0.893 1.00 0.00 C ATOM 443 O PHE A 33 6.119 4.317 -2.076 1.00 0.00 O ATOM 444 CB PHE A 33 7.451 6.820 -0.919 1.00 0.00 C ATOM 445 CG PHE A 33 8.725 7.603 -0.785 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.418 7.625 0.414 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.230 8.319 -1.859 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.592 8.344 0.541 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.403 9.040 -1.739 1.00 0.00 C ATOM 450 CZ PHE A 33 11.084 9.053 -0.537 1.00 0.00 C ATOM 0 H PHE A 33 8.800 4.751 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 33 7.671 5.320 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.123 6.851 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.674 7.301 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.036 7.073 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.701 8.313 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.123 8.351 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.787 9.593 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.000 9.617 -0.441 1.00 0.00 H new ATOM 460 N CYS A 34 5.525 4.211 0.091 1.00 0.00 N ATOM 461 CA CYS A 34 4.303 3.459 -0.167 1.00 0.00 C ATOM 462 C CYS A 34 3.164 4.393 -0.568 1.00 0.00 C ATOM 463 O CYS A 34 3.004 5.473 0.002 1.00 0.00 O ATOM 464 CB CYS A 34 3.904 2.653 1.071 1.00 0.00 C ATOM 465 SG CYS A 34 2.268 1.860 0.947 1.00 0.00 S ATOM 0 H CYS A 34 5.691 4.421 1.075 1.00 0.00 H new ATOM 0 HA CYS A 34 4.495 2.773 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.656 1.884 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.911 3.313 1.939 1.00 0.00 H new ATOM 470 N ASP A 35 2.377 3.969 -1.550 1.00 0.00 N ATOM 471 CA ASP A 35 1.252 4.766 -2.027 1.00 0.00 C ATOM 472 C ASP A 35 -0.025 4.408 -1.273 1.00 0.00 C ATOM 473 O ASP A 35 -1.083 4.229 -1.874 1.00 0.00 O ATOM 474 CB ASP A 35 1.050 4.554 -3.528 1.00 0.00 C ATOM 475 CG ASP A 35 0.016 5.497 -4.111 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.272 6.719 -4.132 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.049 5.013 -4.547 1.00 0.00 O ATOM 0 H ASP A 35 2.497 3.078 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 35 1.478 5.816 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.000 4.697 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.741 3.524 -3.708 1.00 0.00 H new ATOM 482 N GLY A 36 0.083 4.305 0.049 1.00 0.00 N ATOM 483 CA GLY A 36 -1.070 3.968 0.863 1.00 0.00 C ATOM 484 C GLY A 36 -0.906 4.397 2.307 1.00 0.00 C ATOM 485 O GLY A 36 -1.857 4.858 2.938 1.00 0.00 O ATOM 0 H GLY A 36 0.948 4.449 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.957 4.443 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.236 2.891 0.824 1.00 0.00 H new ATOM 489 N CYS A 37 0.305 4.242 2.834 1.00 0.00 N ATOM 490 CA CYS A 37 0.591 4.615 4.214 1.00 0.00 C ATOM 491 C CYS A 37 1.768 5.584 4.282 1.00 0.00 C ATOM 492 O CYS A 37 2.133 6.058 5.359 1.00 0.00 O ATOM 493 CB CYS A 37 0.895 3.368 5.048 1.00 0.00 C ATOM 494 SG CYS A 37 2.401 2.480 4.537 1.00 0.00 S ATOM 0 H CYS A 37 1.103 3.861 2.326 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.290 5.111 4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.995 3.659 6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.046 2.687 4.986 1.00 0.00 H new ATOM 499 N ASP A 38 2.355 5.876 3.127 1.00 0.00 N ATOM 500 CA ASP A 38 3.489 6.790 3.055 1.00 0.00 C ATOM 501 C ASP A 38 4.576 6.386 4.046 1.00 0.00 C ATOM 502 O ASP A 38 4.977 7.177 4.900 1.00 0.00 O ATOM 503 CB ASP A 38 3.034 8.223 3.334 1.00 0.00 C ATOM 504 CG ASP A 38 3.999 9.254 2.782 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.224 9.027 2.868 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.529 10.289 2.264 1.00 0.00 O ATOM 0 H ASP A 38 2.064 5.493 2.227 1.00 0.00 H new ATOM 0 HA ASP A 38 3.903 6.738 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.049 8.380 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.931 8.365 4.410 1.00 0.00 H new ATOM 511 N ASP A 39 5.049 5.150 3.926 1.00 0.00 N ATOM 512 CA ASP A 39 6.091 4.641 4.811 1.00 0.00 C ATOM 513 C ASP A 39 7.446 4.640 4.111 1.00 0.00 C ATOM 514 O ASP A 39 7.558 5.040 2.953 1.00 0.00 O ATOM 515 CB ASP A 39 5.744 3.227 5.280 1.00 0.00 C ATOM 516 CG ASP A 39 4.909 3.226 6.545 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.127 4.180 6.742 1.00 0.00 O ATOM 518 OD2 ASP A 39 5.037 2.271 7.339 1.00 0.00 O ATOM 0 H ASP A 39 4.728 4.482 3.225 1.00 0.00 H new ATOM 0 HA ASP A 39 6.151 5.299 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.202 2.708 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.664 2.669 5.455 1.00 0.00 H new ATOM 523 N ASN A 40 8.474 4.189 4.823 1.00 0.00 N ATOM 524 CA ASN A 40 9.822 4.137 4.270 1.00 0.00 C ATOM 525 C ASN A 40 10.385 2.721 4.341 1.00 0.00 C ATOM 526 O ASN A 40 10.477 2.131 5.417 1.00 0.00 O ATOM 527 CB ASN A 40 10.741 5.101 5.023 1.00 0.00 C ATOM 528 CG ASN A 40 10.016 6.352 5.483 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.000 6.672 6.671 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.411 7.065 4.540 1.00 0.00 N ATOM 0 H ASN A 40 8.399 3.855 5.784 1.00 0.00 H new ATOM 0 HA ASN A 40 9.771 4.436 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.166 4.592 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.573 5.383 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.907 7.916 4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.451 6.762 3.567 1.00 0.00 H new ATOM 537 N TYR A 41 10.762 2.182 3.186 1.00 0.00 N ATOM 538 CA TYR A 41 11.314 0.835 3.116 1.00 0.00 C ATOM 539 C TYR A 41 12.484 0.776 2.138 1.00 0.00 C ATOM 540 O TYR A 41 12.398 1.280 1.018 1.00 0.00 O ATOM 541 CB TYR A 41 10.232 -0.161 2.695 1.00 0.00 C ATOM 542 CG TYR A 41 9.194 -0.416 3.764 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.383 -1.407 4.721 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.025 0.332 3.818 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.437 -1.644 5.699 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.075 0.103 4.794 1.00 0.00 C ATOM 547 CZ TYR A 41 7.285 -0.886 5.732 1.00 0.00 C ATOM 548 OH TYR A 41 6.340 -1.118 6.705 1.00 0.00 O ATOM 0 H TYR A 41 10.695 2.658 2.286 1.00 0.00 H new ATOM 0 HA TYR A 41 11.679 0.567 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.735 0.212 1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.705 -1.106 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.285 -2.001 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.856 1.106 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.598 -2.419 6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.172 0.695 4.823 1.00 0.00 H new ATOM 0 HH TYR A 41 5.590 -0.498 6.588 1.00 0.00 H new ATOM 558 N HIS A 42 13.577 0.156 2.571 1.00 0.00 N ATOM 559 CA HIS A 42 14.766 0.029 1.735 1.00 0.00 C ATOM 560 C HIS A 42 14.588 -1.082 0.704 1.00 0.00 C ATOM 561 O HIS A 42 13.541 -1.727 0.647 1.00 0.00 O ATOM 562 CB HIS A 42 15.995 -0.253 2.598 1.00 0.00 C ATOM 563 CG HIS A 42 16.343 0.868 3.529 1.00 0.00 C ATOM 564 ND1 HIS A 42 16.979 0.673 4.737 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.140 2.202 3.423 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.152 1.839 5.334 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.651 2.783 4.558 1.00 0.00 N ATOM 0 H HIS A 42 13.664 -0.266 3.495 1.00 0.00 H new ATOM 0 HA HIS A 42 14.911 0.972 1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.820 -1.157 3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.847 -0.453 1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.665 2.714 2.599 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.623 1.994 6.293 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.645 3.781 4.767 1.00 0.00 H new ATOM 575 N ILE A 43 15.617 -1.299 -0.108 1.00 0.00 N ATOM 576 CA ILE A 43 15.574 -2.331 -1.136 1.00 0.00 C ATOM 577 C ILE A 43 16.217 -3.624 -0.644 1.00 0.00 C ATOM 578 O ILE A 43 16.023 -4.689 -1.231 1.00 0.00 O ATOM 579 CB ILE A 43 16.286 -1.874 -2.423 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.758 -1.569 -2.137 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.591 -0.655 -3.009 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.598 -1.418 -3.385 1.00 0.00 C ATOM 0 H ILE A 43 16.491 -0.774 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 43 14.522 -2.512 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 43 16.237 -2.681 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.823 -0.652 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.174 -2.369 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.106 -0.344 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.557 -0.904 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.611 0.159 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.629 -1.203 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.563 -2.343 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.208 -0.599 -3.989 1.00 0.00 H new ATOM 594 N PHE A 44 16.982 -3.523 0.438 1.00 0.00 N ATOM 595 CA PHE A 44 17.653 -4.684 1.010 1.00 0.00 C ATOM 596 C PHE A 44 17.045 -5.053 2.361 1.00 0.00 C ATOM 597 O PHE A 44 17.627 -5.822 3.127 1.00 0.00 O ATOM 598 CB PHE A 44 19.149 -4.408 1.170 1.00 0.00 C ATOM 599 CG PHE A 44 19.449 -3.081 1.807 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.557 -1.936 1.035 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.622 -2.979 3.178 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.834 -0.714 1.619 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.899 -1.760 3.767 1.00 0.00 C ATOM 604 CZ PHE A 44 20.004 -0.626 2.987 1.00 0.00 C ATOM 0 H PHE A 44 17.153 -2.649 0.936 1.00 0.00 H new ATOM 0 HA PHE A 44 17.517 -5.523 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.594 -5.200 1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.624 -4.447 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.423 -1.999 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.539 -3.863 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.917 0.171 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.033 -1.695 4.837 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.219 0.328 3.445 1.00 0.00 H new ATOM 614 N CYS A 45 15.872 -4.498 2.646 1.00 0.00 N ATOM 615 CA CYS A 45 15.185 -4.766 3.903 1.00 0.00 C ATOM 616 C CYS A 45 13.914 -5.578 3.666 1.00 0.00 C ATOM 617 O CYS A 45 13.432 -6.271 4.563 1.00 0.00 O ATOM 618 CB CYS A 45 14.839 -3.453 4.609 1.00 0.00 C ATOM 619 SG CYS A 45 16.237 -2.699 5.501 1.00 0.00 S ATOM 0 H CYS A 45 15.377 -3.860 2.023 1.00 0.00 H new ATOM 0 HA CYS A 45 15.854 -5.347 4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.467 -2.743 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.027 -3.634 5.314 1.00 0.00 H new ATOM 624 N LEU A 46 13.378 -5.487 2.454 1.00 0.00 N ATOM 625 CA LEU A 46 12.164 -6.213 2.098 1.00 0.00 C ATOM 626 C LEU A 46 12.434 -7.712 2.005 1.00 0.00 C ATOM 627 O LEU A 46 13.499 -8.188 2.400 1.00 0.00 O ATOM 628 CB LEU A 46 11.610 -5.699 0.769 1.00 0.00 C ATOM 629 CG LEU A 46 11.553 -4.180 0.608 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.371 -3.804 -0.855 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.431 -3.596 1.454 1.00 0.00 C ATOM 0 H LEU A 46 13.765 -4.918 1.701 1.00 0.00 H new ATOM 0 HA LEU A 46 11.425 -6.044 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.219 -6.107 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.603 -6.096 0.640 1.00 0.00 H new ATOM 0 HG LEU A 46 12.498 -3.762 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.333 -2.719 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.208 -4.190 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.441 -4.234 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.405 -2.514 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.478 -4.021 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.605 -3.834 2.503 1.00 0.00 H new ATOM 643 N LEU A 47 11.463 -8.450 1.478 1.00 0.00 N ATOM 644 CA LEU A 47 11.596 -9.895 1.330 1.00 0.00 C ATOM 645 C LEU A 47 10.457 -10.464 0.490 1.00 0.00 C ATOM 646 O LEU A 47 9.319 -10.583 0.944 1.00 0.00 O ATOM 647 CB LEU A 47 11.619 -10.569 2.703 1.00 0.00 C ATOM 648 CG LEU A 47 12.598 -11.732 2.865 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.090 -11.820 4.301 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.947 -13.040 2.441 1.00 0.00 C ATOM 0 H LEU A 47 10.576 -8.072 1.146 1.00 0.00 H new ATOM 0 HA LEU A 47 12.537 -10.097 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.857 -9.814 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.615 -10.932 2.924 1.00 0.00 H new ATOM 0 HG LEU A 47 13.457 -11.551 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.786 -12.654 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.596 -10.893 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.242 -11.977 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.658 -13.857 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.070 -13.227 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.646 -12.974 1.396 1.00 0.00 H new ATOM 662 N PRO A 48 10.768 -10.825 -0.763 1.00 0.00 N ATOM 663 CA PRO A 48 12.119 -10.687 -1.315 1.00 0.00 C ATOM 664 C PRO A 48 12.510 -9.229 -1.533 1.00 0.00 C ATOM 665 O PRO A 48 11.673 -8.375 -1.826 1.00 0.00 O ATOM 666 CB PRO A 48 12.033 -11.424 -2.653 1.00 0.00 C ATOM 667 CG PRO A 48 10.594 -11.357 -3.031 1.00 0.00 C ATOM 668 CD PRO A 48 9.825 -11.396 -1.739 1.00 0.00 C ATOM 0 HA PRO A 48 12.877 -11.086 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.663 -10.951 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.370 -12.456 -2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.378 -10.444 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.320 -12.193 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.907 -10.812 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.538 -12.413 -1.473 1.00 0.00 H new ATOM 676 N PRO A 49 13.811 -8.936 -1.389 1.00 0.00 N ATOM 677 CA PRO A 49 14.341 -7.581 -1.567 1.00 0.00 C ATOM 678 C PRO A 49 14.301 -7.130 -3.023 1.00 0.00 C ATOM 679 O PRO A 49 14.043 -7.929 -3.924 1.00 0.00 O ATOM 680 CB PRO A 49 15.789 -7.701 -1.084 1.00 0.00 C ATOM 681 CG PRO A 49 16.135 -9.137 -1.276 1.00 0.00 C ATOM 682 CD PRO A 49 14.864 -9.905 -1.040 1.00 0.00 C ATOM 0 HA PRO A 49 13.756 -6.839 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.453 -7.054 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.883 -7.408 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.518 -9.315 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.913 -9.447 -0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.812 -10.797 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.780 -10.235 -0.004 1.00 0.00 H new ATOM 690 N LEU A 50 14.558 -5.846 -3.247 1.00 0.00 N ATOM 691 CA LEU A 50 14.552 -5.288 -4.595 1.00 0.00 C ATOM 692 C LEU A 50 15.954 -4.857 -5.012 1.00 0.00 C ATOM 693 O LEU A 50 16.835 -4.633 -4.181 1.00 0.00 O ATOM 694 CB LEU A 50 13.596 -4.097 -4.670 1.00 0.00 C ATOM 695 CG LEU A 50 12.115 -4.435 -4.851 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.261 -3.185 -4.706 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.879 -5.091 -6.203 1.00 0.00 C ATOM 0 H LEU A 50 14.773 -5.172 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 50 14.211 -6.063 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.705 -3.511 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.906 -3.459 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 50 11.825 -5.140 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.211 -3.445 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.407 -2.757 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.552 -2.456 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.820 -5.324 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.186 -4.410 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.462 -6.010 -6.268 1.00 0.00 H new ATOM 709 N PRO A 51 16.168 -4.734 -6.330 1.00 0.00 N ATOM 710 CA PRO A 51 17.461 -4.326 -6.888 1.00 0.00 C ATOM 711 C PRO A 51 17.779 -2.862 -6.601 1.00 0.00 C ATOM 712 O PRO A 51 18.920 -2.514 -6.299 1.00 0.00 O ATOM 713 CB PRO A 51 17.285 -4.550 -8.392 1.00 0.00 C ATOM 714 CG PRO A 51 15.817 -4.447 -8.621 1.00 0.00 C ATOM 715 CD PRO A 51 15.165 -4.985 -7.378 1.00 0.00 C ATOM 0 HA PRO A 51 18.288 -4.888 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.829 -3.803 -8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.665 -5.526 -8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.522 -3.413 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.518 -5.021 -9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.225 -4.476 -7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.938 -6.047 -7.471 1.00 0.00 H new ATOM 723 N GLU A 52 16.763 -2.010 -6.698 1.00 0.00 N ATOM 724 CA GLU A 52 16.937 -0.584 -6.449 1.00 0.00 C ATOM 725 C GLU A 52 15.593 0.139 -6.467 1.00 0.00 C ATOM 726 O GLU A 52 14.546 -0.480 -6.657 1.00 0.00 O ATOM 727 CB GLU A 52 17.872 0.029 -7.493 1.00 0.00 C ATOM 728 CG GLU A 52 17.431 -0.220 -8.926 1.00 0.00 C ATOM 729 CD GLU A 52 18.272 0.536 -9.935 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.406 1.770 -9.789 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.797 -0.103 -10.870 1.00 0.00 O ATOM 0 H GLU A 52 15.812 -2.282 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 52 17.381 -0.466 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.937 1.104 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.874 -0.377 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.487 -1.287 -9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.387 0.073 -9.037 1.00 0.00 H new ATOM 738 N ILE A 53 15.632 1.452 -6.266 1.00 0.00 N ATOM 739 CA ILE A 53 14.418 2.259 -6.260 1.00 0.00 C ATOM 740 C ILE A 53 13.581 2.002 -7.508 1.00 0.00 C ATOM 741 O ILE A 53 14.079 2.014 -8.634 1.00 0.00 O ATOM 742 CB ILE A 53 14.743 3.762 -6.174 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.171 4.133 -4.752 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.540 4.589 -6.603 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.047 4.055 -3.743 1.00 0.00 C ATOM 0 H ILE A 53 16.490 1.979 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 53 13.849 1.967 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 53 15.569 3.979 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.976 3.469 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.576 5.145 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.785 5.649 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.276 4.341 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.696 4.370 -5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.423 4.331 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.250 4.740 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.657 3.038 -3.711 1.00 0.00 H new ATOM 757 N PRO A 54 12.276 1.766 -7.306 1.00 0.00 N ATOM 758 CA PRO A 54 11.340 1.504 -8.404 1.00 0.00 C ATOM 759 C PRO A 54 11.084 2.742 -9.256 1.00 0.00 C ATOM 760 O PRO A 54 11.519 3.842 -8.915 1.00 0.00 O ATOM 761 CB PRO A 54 10.059 1.077 -7.683 1.00 0.00 C ATOM 762 CG PRO A 54 10.151 1.712 -6.339 1.00 0.00 C ATOM 763 CD PRO A 54 11.613 1.737 -5.992 1.00 0.00 C ATOM 0 HA PRO A 54 11.725 0.757 -9.098 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.172 1.413 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.992 -0.008 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.736 2.720 -6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.584 1.145 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.869 2.611 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.904 0.859 -5.415 1.00 0.00 H new ATOM 771 N ARG A 55 10.376 2.556 -10.365 1.00 0.00 N ATOM 772 CA ARG A 55 10.063 3.659 -11.266 1.00 0.00 C ATOM 773 C ARG A 55 8.684 4.235 -10.962 1.00 0.00 C ATOM 774 O ARG A 55 8.564 5.314 -10.383 1.00 0.00 O ATOM 775 CB ARG A 55 10.122 3.189 -12.721 1.00 0.00 C ATOM 776 CG ARG A 55 11.525 2.843 -13.193 1.00 0.00 C ATOM 777 CD ARG A 55 11.497 2.061 -14.496 1.00 0.00 C ATOM 778 NE ARG A 55 12.774 2.126 -15.201 1.00 0.00 N ATOM 779 CZ ARG A 55 13.839 1.408 -14.861 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.779 0.575 -13.831 1.00 0.00 N ATOM 781 NH2 ARG A 55 14.966 1.522 -15.552 1.00 0.00 N ATOM 0 H ARG A 55 10.008 1.652 -10.661 1.00 0.00 H new ATOM 0 HA ARG A 55 10.806 4.442 -11.113 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.483 2.314 -12.837 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.714 3.970 -13.363 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.100 3.759 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.034 2.258 -12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.250 1.020 -14.289 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.708 2.454 -15.138 1.00 0.00 H new ATOM 0 HE ARG A 55 12.853 2.757 -15.998 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.914 0.484 -13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.598 0.025 -13.572 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.015 2.161 -16.345 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.783 0.970 -15.290 1.00 0.00 H new ATOM 795 N GLY A 56 7.643 3.507 -11.357 1.00 0.00 N ATOM 796 CA GLY A 56 6.286 3.962 -11.118 1.00 0.00 C ATOM 797 C GLY A 56 5.929 3.972 -9.645 1.00 0.00 C ATOM 798 O GLY A 56 6.779 4.236 -8.795 1.00 0.00 O ATOM 0 H GLY A 56 7.716 2.611 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.166 4.966 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.590 3.316 -11.653 1.00 0.00 H new ATOM 802 N ILE A 57 4.667 3.687 -9.343 1.00 0.00 N ATOM 803 CA ILE A 57 4.199 3.665 -7.962 1.00 0.00 C ATOM 804 C ILE A 57 4.581 2.360 -7.273 1.00 0.00 C ATOM 805 O ILE A 57 4.349 1.274 -7.805 1.00 0.00 O ATOM 806 CB ILE A 57 2.672 3.847 -7.883 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.263 5.190 -8.491 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.201 3.748 -6.439 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.766 5.371 -8.607 1.00 0.00 C ATOM 0 H ILE A 57 3.950 3.468 -10.035 1.00 0.00 H new ATOM 0 HA ILE A 57 4.683 4.497 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 57 2.197 3.051 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.672 5.995 -7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.710 5.282 -9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.120 3.879 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.463 2.769 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.682 4.525 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.550 6.345 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.353 4.587 -9.242 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.314 5.311 -7.617 1.00 0.00 H new ATOM 821 N TRP A 58 5.166 2.474 -6.086 1.00 0.00 N ATOM 822 CA TRP A 58 5.579 1.302 -5.322 1.00 0.00 C ATOM 823 C TRP A 58 4.824 1.220 -4.000 1.00 0.00 C ATOM 824 O TRP A 58 4.603 2.234 -3.337 1.00 0.00 O ATOM 825 CB TRP A 58 7.085 1.343 -5.061 1.00 0.00 C ATOM 826 CG TRP A 58 7.572 0.209 -4.210 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.082 -0.981 -4.643 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.591 0.159 -2.779 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.417 -1.768 -3.568 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.127 -1.091 -2.413 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.210 1.049 -1.771 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.288 -1.471 -1.083 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.371 0.671 -0.452 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.907 -0.580 -0.117 1.00 0.00 C ATOM 0 H TRP A 58 5.365 3.365 -5.632 1.00 0.00 H new ATOM 0 HA TRP A 58 5.343 0.415 -5.909 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.612 1.324 -6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.337 2.286 -4.576 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.204 -1.262 -5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.817 -2.705 -3.621 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.797 2.016 -2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.699 -2.435 -0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.079 1.351 0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.021 -0.846 0.924 1.00 0.00 H new ATOM 845 N ARG A 59 4.430 0.008 -3.623 1.00 0.00 N ATOM 846 CA ARG A 59 3.698 -0.204 -2.380 1.00 0.00 C ATOM 847 C ARG A 59 4.487 -1.102 -1.431 1.00 0.00 C ATOM 848 O ARG A 59 5.388 -1.829 -1.852 1.00 0.00 O ATOM 849 CB ARG A 59 2.331 -0.827 -2.668 1.00 0.00 C ATOM 850 CG ARG A 59 1.173 0.143 -2.502 1.00 0.00 C ATOM 851 CD ARG A 59 -0.075 -0.561 -1.991 1.00 0.00 C ATOM 852 NE ARG A 59 -1.181 -0.471 -2.941 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.303 -1.259 -4.003 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.392 -2.191 -4.250 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.338 -1.117 -4.821 1.00 0.00 N ATOM 0 H ARG A 59 4.605 -0.841 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 59 3.555 0.765 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.325 -1.215 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.181 -1.677 -2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.456 0.934 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.957 0.621 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.153 -1.609 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.376 -0.120 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.899 0.236 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.405 -2.304 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.488 -2.795 -5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.041 -0.402 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.431 -1.723 -5.636 1.00 0.00 H new ATOM 869 N CYS A 60 4.144 -1.045 -0.148 1.00 0.00 N ATOM 870 CA CYS A 60 4.820 -1.851 0.861 1.00 0.00 C ATOM 871 C CYS A 60 4.055 -3.145 1.126 1.00 0.00 C ATOM 872 O CYS A 60 2.860 -3.255 0.853 1.00 0.00 O ATOM 873 CB CYS A 60 4.969 -1.058 2.161 1.00 0.00 C ATOM 874 SG CYS A 60 3.445 -0.967 3.155 1.00 0.00 S ATOM 0 H CYS A 60 3.401 -0.449 0.217 1.00 0.00 H new ATOM 0 HA CYS A 60 5.810 -2.106 0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.756 -1.512 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.295 -0.046 1.921 1.00 0.00 H new ATOM 879 N PRO A 61 4.759 -4.147 1.672 1.00 0.00 N ATOM 880 CA PRO A 61 4.167 -5.450 1.988 1.00 0.00 C ATOM 881 C PRO A 61 3.186 -5.375 3.152 1.00 0.00 C ATOM 882 O PRO A 61 2.289 -6.210 3.278 1.00 0.00 O ATOM 883 CB PRO A 61 5.378 -6.308 2.363 1.00 0.00 C ATOM 884 CG PRO A 61 6.401 -5.334 2.835 1.00 0.00 C ATOM 885 CD PRO A 61 6.188 -4.085 2.025 1.00 0.00 C ATOM 0 HA PRO A 61 3.588 -5.847 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.127 -7.028 3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.739 -6.878 1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.286 -5.133 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.408 -5.725 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.421 -3.189 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.821 -4.069 1.138 1.00 0.00 H new ATOM 893 N LYS A 62 3.360 -4.369 4.003 1.00 0.00 N ATOM 894 CA LYS A 62 2.489 -4.183 5.157 1.00 0.00 C ATOM 895 C LYS A 62 1.099 -3.731 4.722 1.00 0.00 C ATOM 896 O LYS A 62 0.133 -3.846 5.477 1.00 0.00 O ATOM 897 CB LYS A 62 3.094 -3.156 6.118 1.00 0.00 C ATOM 898 CG LYS A 62 3.750 -3.778 7.338 1.00 0.00 C ATOM 899 CD LYS A 62 2.754 -3.973 8.469 1.00 0.00 C ATOM 900 CE LYS A 62 2.454 -2.662 9.180 1.00 0.00 C ATOM 901 NZ LYS A 62 3.664 -2.102 9.843 1.00 0.00 N ATOM 0 H LYS A 62 4.097 -3.670 3.915 1.00 0.00 H new ATOM 0 HA LYS A 62 2.396 -5.141 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.833 -2.561 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.311 -2.472 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.187 -4.739 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.567 -3.141 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.830 -4.393 8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.151 -4.694 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.066 -1.940 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.674 -2.822 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.375 -1.450 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.227 -2.876 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.237 -1.588 9.143 1.00 0.00 H new ATOM 915 N CYS A 63 1.004 -3.217 3.500 1.00 0.00 N ATOM 916 CA CYS A 63 -0.268 -2.749 2.964 1.00 0.00 C ATOM 917 C CYS A 63 -0.845 -3.757 1.974 1.00 0.00 C ATOM 918 O CYS A 63 -2.046 -4.028 1.978 1.00 0.00 O ATOM 919 CB CYS A 63 -0.089 -1.392 2.281 1.00 0.00 C ATOM 920 SG CYS A 63 -0.051 0.020 3.431 1.00 0.00 S ATOM 0 H CYS A 63 1.793 -3.114 2.862 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.966 -2.641 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.838 -1.405 1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.902 -1.245 1.569 1.00 0.00 H new ATOM 925 N ILE A 64 0.019 -4.308 1.128 1.00 0.00 N ATOM 926 CA ILE A 64 -0.405 -5.286 0.134 1.00 0.00 C ATOM 927 C ILE A 64 -0.871 -6.577 0.797 1.00 0.00 C ATOM 928 O ILE A 64 -1.909 -7.133 0.437 1.00 0.00 O ATOM 929 CB ILE A 64 0.730 -5.611 -0.855 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.206 -4.337 -1.557 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.267 -6.642 -1.874 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.582 -4.464 -2.172 1.00 0.00 C ATOM 0 H ILE A 64 1.016 -4.094 1.111 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.236 -4.841 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 64 1.567 -6.031 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.491 -4.073 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.212 -3.517 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.081 -6.861 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.027 -7.556 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.585 -6.248 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.854 -3.524 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.308 -4.698 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.576 -5.262 -2.914 1.00 0.00 H new ATOM 944 N LEU A 65 -0.098 -7.049 1.769 1.00 0.00 N ATOM 945 CA LEU A 65 -0.433 -8.275 2.486 1.00 0.00 C ATOM 946 C LEU A 65 -1.713 -8.100 3.297 1.00 0.00 C ATOM 947 O LEU A 65 -2.334 -9.077 3.714 1.00 0.00 O ATOM 948 CB LEU A 65 0.718 -8.679 3.409 1.00 0.00 C ATOM 949 CG LEU A 65 2.035 -9.041 2.721 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.158 -9.147 3.741 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.892 -10.342 1.945 1.00 0.00 C ATOM 0 H LEU A 65 0.765 -6.602 2.079 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.596 -9.063 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.907 -7.859 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.396 -9.533 4.006 1.00 0.00 H new ATOM 0 HG LEU A 65 2.285 -8.247 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.087 -9.405 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.277 -8.191 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.916 -9.920 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.839 -10.584 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.618 -11.145 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.116 -10.230 1.187 1.00 0.00 H new ATOM 963 N ALA A 66 -2.102 -6.848 3.516 1.00 0.00 N ATOM 964 CA ALA A 66 -3.310 -6.544 4.273 1.00 0.00 C ATOM 965 C ALA A 66 -4.516 -6.405 3.350 1.00 0.00 C ATOM 966 O ALA A 66 -5.589 -6.937 3.632 1.00 0.00 O ATOM 967 CB ALA A 66 -3.117 -5.274 5.088 1.00 0.00 C ATOM 0 H ALA A 66 -1.598 -6.028 3.180 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.501 -7.374 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.027 -5.059 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.287 -5.409 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.898 -4.442 4.419 1.00 0.00 H new ATOM 973 N GLU A 67 -4.331 -5.686 2.247 1.00 0.00 N ATOM 974 CA GLU A 67 -5.406 -5.476 1.284 1.00 0.00 C ATOM 975 C GLU A 67 -5.678 -6.749 0.486 1.00 0.00 C ATOM 976 O GLU A 67 -6.818 -7.028 0.113 1.00 0.00 O ATOM 977 CB GLU A 67 -5.053 -4.331 0.333 1.00 0.00 C ATOM 978 CG GLU A 67 -5.328 -2.953 0.911 1.00 0.00 C ATOM 979 CD GLU A 67 -6.787 -2.752 1.270 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.655 -3.234 0.513 1.00 0.00 O ATOM 981 OE2 GLU A 67 -7.061 -2.112 2.307 1.00 0.00 O ATOM 0 H GLU A 67 -3.448 -5.240 1.998 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.308 -5.214 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.998 -4.401 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.621 -4.448 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.715 -2.807 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.027 -2.194 0.189 1.00 0.00 H new ATOM 988 N CYS A 68 -4.624 -7.514 0.229 1.00 0.00 N ATOM 989 CA CYS A 68 -4.747 -8.757 -0.526 1.00 0.00 C ATOM 990 C CYS A 68 -5.829 -9.650 0.071 1.00 0.00 C ATOM 991 O CYS A 68 -5.982 -9.729 1.290 1.00 0.00 O ATOM 992 CB CYS A 68 -3.410 -9.499 -0.548 1.00 0.00 C ATOM 993 SG CYS A 68 -3.422 -11.012 -1.539 1.00 0.00 S ATOM 0 H CYS A 68 -3.675 -7.296 0.532 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.031 -8.506 -1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.642 -8.830 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.129 -9.749 0.475 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.247 -11.567 -1.498 1.00 0.00 H new ATOM 999 N LYS A 69 -6.580 -10.321 -0.796 1.00 0.00 N ATOM 1000 CA LYS A 69 -7.649 -11.209 -0.356 1.00 0.00 C ATOM 1001 C LYS A 69 -7.170 -12.656 -0.309 1.00 0.00 C ATOM 1002 O LYS A 69 -7.187 -13.358 -1.320 1.00 0.00 O ATOM 1003 CB LYS A 69 -8.856 -11.091 -1.290 1.00 0.00 C ATOM 1004 CG LYS A 69 -9.372 -9.670 -1.440 1.00 0.00 C ATOM 1005 CD LYS A 69 -10.670 -9.465 -0.678 1.00 0.00 C ATOM 1006 CE LYS A 69 -11.823 -10.214 -1.330 1.00 0.00 C ATOM 1007 NZ LYS A 69 -12.362 -11.282 -0.444 1.00 0.00 N ATOM 0 H LYS A 69 -6.468 -10.266 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.944 -10.909 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.583 -11.475 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.660 -11.723 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.621 -8.969 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.530 -9.449 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.548 -9.807 0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.904 -8.401 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.619 -9.511 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.485 -10.656 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.831 -12.009 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.583 -11.715 0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.050 -10.869 0.218 1.00 0.00 H new ATOM 1021 N GLN A 70 -6.744 -13.096 0.871 1.00 0.00 N ATOM 1022 CA GLN A 70 -6.261 -14.460 1.048 1.00 0.00 C ATOM 1023 C GLN A 70 -7.407 -15.461 0.950 1.00 0.00 C ATOM 1024 O GLN A 70 -8.576 -15.124 1.141 1.00 0.00 O ATOM 1025 CB GLN A 70 -5.558 -14.603 2.400 1.00 0.00 C ATOM 1026 CG GLN A 70 -4.144 -14.046 2.412 1.00 0.00 C ATOM 1027 CD GLN A 70 -3.375 -14.433 3.660 1.00 0.00 C ATOM 1028 OE1 GLN A 70 -3.854 -14.251 4.779 1.00 0.00 O ATOM 1029 NE2 GLN A 70 -2.175 -14.970 3.473 1.00 0.00 N ATOM 0 H GLN A 70 -6.724 -12.528 1.718 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.548 -14.672 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.147 -14.093 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.527 -15.657 2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.608 -14.406 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.185 -12.959 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.817 -15.102 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.611 -15.250 4.275 1.00 0.00 H new ATOM 1038 N PRO A 71 -7.068 -16.722 0.644 1.00 0.00 N ATOM 1039 CA PRO A 71 -8.055 -17.798 0.513 1.00 0.00 C ATOM 1040 C PRO A 71 -8.672 -18.184 1.853 1.00 0.00 C ATOM 1041 O PRO A 71 -8.118 -17.916 2.920 1.00 0.00 O ATOM 1042 CB PRO A 71 -7.238 -18.961 -0.055 1.00 0.00 C ATOM 1043 CG PRO A 71 -5.840 -18.691 0.382 1.00 0.00 C ATOM 1044 CD PRO A 71 -5.694 -17.195 0.404 1.00 0.00 C ATOM 0 HA PRO A 71 -8.897 -17.505 -0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.594 -19.918 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.312 -19.003 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.650 -19.116 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.123 -19.143 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.014 -16.869 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.297 -16.816 -0.538 1.00 0.00 H new ATOM 1052 N PRO A 72 -9.846 -18.831 1.800 1.00 0.00 N ATOM 1053 CA PRO A 72 -10.563 -19.270 3.001 1.00 0.00 C ATOM 1054 C PRO A 72 -9.852 -20.415 3.715 1.00 0.00 C ATOM 1055 O PRO A 72 -10.264 -21.570 3.615 1.00 0.00 O ATOM 1056 CB PRO A 72 -11.915 -19.736 2.457 1.00 0.00 C ATOM 1057 CG PRO A 72 -11.643 -20.115 1.042 1.00 0.00 C ATOM 1058 CD PRO A 72 -10.563 -19.185 0.564 1.00 0.00 C ATOM 0 HA PRO A 72 -10.638 -18.476 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.301 -20.582 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.661 -18.944 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.322 -21.154 0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.541 -20.016 0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.905 -19.670 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.979 -18.304 0.074 1.00 0.00 H new ATOM 1066 N GLU A 73 -8.784 -20.086 4.435 1.00 0.00 N ATOM 1067 CA GLU A 73 -8.017 -21.089 5.165 1.00 0.00 C ATOM 1068 C GLU A 73 -7.160 -20.437 6.246 1.00 0.00 C ATOM 1069 O GLU A 73 -6.130 -20.979 6.646 1.00 0.00 O ATOM 1070 CB GLU A 73 -7.130 -21.883 4.204 1.00 0.00 C ATOM 1071 CG GLU A 73 -6.323 -21.009 3.258 1.00 0.00 C ATOM 1072 CD GLU A 73 -5.086 -21.709 2.729 1.00 0.00 C ATOM 1073 OE1 GLU A 73 -4.035 -21.643 3.401 1.00 0.00 O ATOM 1074 OE2 GLU A 73 -5.168 -22.321 1.645 1.00 0.00 O ATOM 0 H GLU A 73 -8.431 -19.134 4.528 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.720 -21.770 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.447 -22.505 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.755 -22.557 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.953 -20.709 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.026 -20.097 3.776 1.00 0.00 H new ATOM 1081 N ALA A 74 -7.593 -19.271 6.714 1.00 0.00 N ATOM 1082 CA ALA A 74 -6.867 -18.546 7.749 1.00 0.00 C ATOM 1083 C ALA A 74 -7.825 -17.792 8.665 1.00 0.00 C ATOM 1084 O ALA A 74 -8.663 -17.018 8.202 1.00 0.00 O ATOM 1085 CB ALA A 74 -5.870 -17.585 7.120 1.00 0.00 C ATOM 0 H ALA A 74 -8.443 -18.808 6.393 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.323 -19.272 8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.335 -17.050 7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.159 -18.145 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.401 -16.870 6.491 1.00 0.00 H new ATOM 1091 N PHE A 75 -7.697 -18.025 9.967 1.00 0.00 N ATOM 1092 CA PHE A 75 -8.552 -17.369 10.949 1.00 0.00 C ATOM 1093 C PHE A 75 -7.759 -16.360 11.775 1.00 0.00 C ATOM 1094 O PHE A 75 -7.302 -16.664 12.876 1.00 0.00 O ATOM 1095 CB PHE A 75 -9.195 -18.406 11.872 1.00 0.00 C ATOM 1096 CG PHE A 75 -10.441 -19.024 11.304 1.00 0.00 C ATOM 1097 CD1 PHE A 75 -11.655 -18.360 11.379 1.00 0.00 C ATOM 1098 CD2 PHE A 75 -10.398 -20.268 10.695 1.00 0.00 C ATOM 1099 CE1 PHE A 75 -12.803 -18.925 10.857 1.00 0.00 C ATOM 1100 CE2 PHE A 75 -11.543 -20.837 10.171 1.00 0.00 C ATOM 1101 CZ PHE A 75 -12.747 -20.166 10.253 1.00 0.00 C ATOM 0 H PHE A 75 -7.009 -18.663 10.367 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.336 -16.836 10.411 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.471 -19.194 12.080 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.435 -17.934 12.825 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.705 -17.390 11.851 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.460 -20.798 10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.743 -18.397 10.921 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.496 -21.806 9.697 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.643 -20.611 9.846 1.00 0.00 H new ATOM 1111 N GLY A 76 -7.598 -15.156 11.233 1.00 0.00 N ATOM 1112 CA GLY A 76 -6.860 -14.121 11.931 1.00 0.00 C ATOM 1113 C GLY A 76 -7.346 -12.727 11.585 1.00 0.00 C ATOM 1114 O GLY A 76 -8.503 -12.387 11.833 1.00 0.00 O ATOM 0 H GLY A 76 -7.966 -14.880 10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.950 -14.277 13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.802 -14.205 11.684 1.00 0.00 H new ATOM 1118 N PHE A 77 -6.461 -11.919 11.011 1.00 0.00 N ATOM 1119 CA PHE A 77 -6.806 -10.553 10.633 1.00 0.00 C ATOM 1120 C PHE A 77 -7.287 -9.759 11.843 1.00 0.00 C ATOM 1121 O PHE A 77 -8.453 -9.373 11.922 1.00 0.00 O ATOM 1122 CB PHE A 77 -7.888 -10.559 9.550 1.00 0.00 C ATOM 1123 CG PHE A 77 -7.341 -10.704 8.159 1.00 0.00 C ATOM 1124 CD1 PHE A 77 -6.486 -11.747 7.841 1.00 0.00 C ATOM 1125 CD2 PHE A 77 -7.684 -9.798 7.168 1.00 0.00 C ATOM 1126 CE1 PHE A 77 -5.982 -11.882 6.561 1.00 0.00 C ATOM 1127 CE2 PHE A 77 -7.183 -9.929 5.886 1.00 0.00 C ATOM 1128 CZ PHE A 77 -6.331 -10.973 5.583 1.00 0.00 C ATOM 0 H PHE A 77 -5.500 -12.186 10.797 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.910 -10.074 10.239 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.583 -11.376 9.746 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -8.459 -9.633 9.613 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.210 -12.462 8.602 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.350 -8.980 7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.315 -12.699 6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.457 -9.216 5.123 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.939 -11.078 4.582 1.00 0.00 H new ATOM 1138 N GLU A 78 -6.380 -9.519 12.785 1.00 0.00 N ATOM 1139 CA GLU A 78 -6.712 -8.771 13.992 1.00 0.00 C ATOM 1140 C GLU A 78 -6.122 -7.365 13.941 1.00 0.00 C ATOM 1141 O GLU A 78 -5.315 -6.989 14.791 1.00 0.00 O ATOM 1142 CB GLU A 78 -6.199 -9.507 15.232 1.00 0.00 C ATOM 1143 CG GLU A 78 -6.876 -9.074 16.521 1.00 0.00 C ATOM 1144 CD GLU A 78 -6.184 -9.619 17.755 1.00 0.00 C ATOM 1145 OE1 GLU A 78 -5.243 -8.962 18.247 1.00 0.00 O ATOM 1146 OE2 GLU A 78 -6.585 -10.703 18.229 1.00 0.00 O ATOM 0 H GLU A 78 -5.410 -9.832 12.736 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.797 -8.688 14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.348 -10.578 15.096 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.125 -9.343 15.323 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.893 -7.985 16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.913 -9.409 16.513 1.00 0.00 H new ATOM 1153 N GLN A 79 -6.530 -6.594 12.938 1.00 0.00 N ATOM 1154 CA GLN A 79 -6.041 -5.230 12.776 1.00 0.00 C ATOM 1155 C GLN A 79 -7.199 -4.239 12.724 1.00 0.00 C ATOM 1156 O GLN A 79 -7.917 -4.160 11.728 1.00 0.00 O ATOM 1157 CB GLN A 79 -5.199 -5.116 11.503 1.00 0.00 C ATOM 1158 CG GLN A 79 -3.719 -5.383 11.727 1.00 0.00 C ATOM 1159 CD GLN A 79 -2.911 -5.297 10.447 1.00 0.00 C ATOM 1160 OE1 GLN A 79 -3.281 -4.586 9.512 1.00 0.00 O ATOM 1161 NE2 GLN A 79 -1.800 -6.022 10.398 1.00 0.00 N ATOM 0 H GLN A 79 -7.197 -6.890 12.226 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.419 -4.989 13.638 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.579 -5.819 10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.320 -4.117 11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.329 -4.664 12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.594 -6.373 12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.531 -6.597 11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.215 -6.004 9.562 1.00 0.00 H new ATOM 1170 N ALA A 80 -7.374 -3.485 13.804 1.00 0.00 N ATOM 1171 CA ALA A 80 -8.443 -2.498 13.881 1.00 0.00 C ATOM 1172 C ALA A 80 -7.950 -1.119 13.456 1.00 0.00 C ATOM 1173 O ALA A 80 -7.253 -0.438 14.208 1.00 0.00 O ATOM 1174 CB ALA A 80 -9.012 -2.445 15.292 1.00 0.00 C ATOM 0 H ALA A 80 -6.789 -3.539 14.638 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.233 -2.800 13.193 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.810 -1.703 15.335 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.411 -3.423 15.560 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.223 -2.170 15.992 1.00 0.00 H new ATOM 1180 N THR A 81 -8.315 -0.713 12.244 1.00 0.00 N ATOM 1181 CA THR A 81 -7.908 0.584 11.717 1.00 0.00 C ATOM 1182 C THR A 81 -9.047 1.249 10.952 1.00 0.00 C ATOM 1183 O THR A 81 -9.358 0.862 9.826 1.00 0.00 O ATOM 1184 CB THR A 81 -6.687 0.454 10.787 1.00 0.00 C ATOM 1185 OG1 THR A 81 -6.518 -0.911 10.387 1.00 0.00 O ATOM 1186 CG2 THR A 81 -5.425 0.945 11.480 1.00 0.00 C ATOM 0 H THR A 81 -8.892 -1.264 11.608 1.00 0.00 H new ATOM 0 HA THR A 81 -7.639 1.203 12.573 1.00 0.00 H new ATOM 0 HB THR A 81 -6.862 1.071 9.905 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.741 -0.984 9.795 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.576 0.844 10.804 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.546 1.992 11.756 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.248 0.351 12.377 1.00 0.00 H new ATOM 1194 N GLN A 82 -9.664 2.250 11.571 1.00 0.00 N ATOM 1195 CA GLN A 82 -10.768 2.968 10.947 1.00 0.00 C ATOM 1196 C GLN A 82 -10.279 4.256 10.292 1.00 0.00 C ATOM 1197 O GLN A 82 -9.125 4.648 10.459 1.00 0.00 O ATOM 1198 CB GLN A 82 -11.847 3.287 11.983 1.00 0.00 C ATOM 1199 CG GLN A 82 -13.262 3.040 11.485 1.00 0.00 C ATOM 1200 CD GLN A 82 -13.853 1.752 12.024 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -13.283 0.674 11.854 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -15.004 1.857 12.678 1.00 0.00 N ATOM 0 H GLN A 82 -9.418 2.582 12.504 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.194 2.328 10.174 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.674 2.683 12.873 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.753 4.331 12.283 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -13.897 3.877 11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -13.259 3.006 10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.442 2.771 12.796 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -15.450 1.024 13.062 1.00 0.00 H new ATOM 1211 N GLU A 83 -11.166 4.909 9.547 1.00 0.00 N ATOM 1212 CA GLU A 83 -10.823 6.152 8.866 1.00 0.00 C ATOM 1213 C GLU A 83 -11.193 7.360 9.720 1.00 0.00 C ATOM 1214 O GLU A 83 -11.888 7.232 10.729 1.00 0.00 O ATOM 1215 CB GLU A 83 -11.534 6.232 7.514 1.00 0.00 C ATOM 1216 CG GLU A 83 -10.613 6.594 6.361 1.00 0.00 C ATOM 1217 CD GLU A 83 -11.323 6.587 5.022 1.00 0.00 C ATOM 1218 OE1 GLU A 83 -11.921 5.548 4.672 1.00 0.00 O ATOM 1219 OE2 GLU A 83 -11.281 7.621 4.323 1.00 0.00 O ATOM 0 H GLU A 83 -12.126 4.598 9.400 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.745 6.161 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.005 5.272 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.332 6.972 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.188 7.582 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.781 5.890 6.331 1.00 0.00 H new ATOM 1226 N TYR A 84 -10.724 8.533 9.310 1.00 0.00 N ATOM 1227 CA TYR A 84 -11.003 9.765 10.039 1.00 0.00 C ATOM 1228 C TYR A 84 -10.856 10.981 9.129 1.00 0.00 C ATOM 1229 O TYR A 84 -9.744 11.404 8.814 1.00 0.00 O ATOM 1230 CB TYR A 84 -10.064 9.896 11.239 1.00 0.00 C ATOM 1231 CG TYR A 84 -10.686 9.457 12.545 1.00 0.00 C ATOM 1232 CD1 TYR A 84 -11.889 9.999 12.982 1.00 0.00 C ATOM 1233 CD2 TYR A 84 -10.071 8.500 13.344 1.00 0.00 C ATOM 1234 CE1 TYR A 84 -12.461 9.602 14.175 1.00 0.00 C ATOM 1235 CE2 TYR A 84 -10.637 8.095 14.537 1.00 0.00 C ATOM 1236 CZ TYR A 84 -11.831 8.649 14.949 1.00 0.00 C ATOM 1237 OH TYR A 84 -12.397 8.250 16.138 1.00 0.00 O ATOM 0 H TYR A 84 -10.149 8.657 8.477 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.032 9.722 10.395 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.168 9.303 11.055 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.746 10.935 11.329 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.385 10.744 12.378 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.135 8.066 13.026 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -13.396 10.035 14.500 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.147 7.348 15.144 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.828 7.573 16.560 1.00 0.00 H new ATOM 1247 N SER A 85 -11.988 11.539 8.712 1.00 0.00 N ATOM 1248 CA SER A 85 -11.987 12.705 7.835 1.00 0.00 C ATOM 1249 C SER A 85 -11.244 13.870 8.482 1.00 0.00 C ATOM 1250 O SER A 85 -11.647 14.373 9.532 1.00 0.00 O ATOM 1251 CB SER A 85 -13.422 13.121 7.504 1.00 0.00 C ATOM 1252 OG SER A 85 -14.021 12.211 6.599 1.00 0.00 O ATOM 0 H SER A 85 -12.917 11.203 8.967 1.00 0.00 H new ATOM 0 HA SER A 85 -11.472 12.436 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.011 13.168 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.423 14.122 7.072 1.00 0.00 H new ATOM 0 HG SER A 85 -14.938 12.498 6.405 1.00 0.00 H new ATOM 1258 N LEU A 86 -10.157 14.295 7.847 1.00 0.00 N ATOM 1259 CA LEU A 86 -9.355 15.401 8.359 1.00 0.00 C ATOM 1260 C LEU A 86 -8.833 15.093 9.759 1.00 0.00 C ATOM 1261 O LEU A 86 -9.118 14.035 10.320 1.00 0.00 O ATOM 1262 CB LEU A 86 -10.183 16.688 8.383 1.00 0.00 C ATOM 1263 CG LEU A 86 -9.872 17.705 7.284 1.00 0.00 C ATOM 1264 CD1 LEU A 86 -8.490 18.306 7.488 1.00 0.00 C ATOM 1265 CD2 LEU A 86 -9.977 17.057 5.912 1.00 0.00 C ATOM 0 H LEU A 86 -9.811 13.891 6.977 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.501 15.537 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.237 16.420 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.039 17.171 9.349 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.607 18.508 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.286 19.027 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.450 18.808 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.741 17.515 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.752 17.796 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.266 16.234 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.988 16.677 5.766 1.00 0.00 H new ATOM 1277 N SER A 87 -8.069 16.026 10.318 1.00 0.00 N ATOM 1278 CA SER A 87 -7.505 15.854 11.652 1.00 0.00 C ATOM 1279 C SER A 87 -8.605 15.852 12.710 1.00 0.00 C ATOM 1280 O SER A 87 -8.937 14.810 13.274 1.00 0.00 O ATOM 1281 CB SER A 87 -6.497 16.965 11.950 1.00 0.00 C ATOM 1282 OG SER A 87 -6.598 18.013 11.001 1.00 0.00 O ATOM 0 H SER A 87 -7.826 16.909 9.868 1.00 0.00 H new ATOM 0 HA SER A 87 -6.993 14.892 11.682 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.671 17.359 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.487 16.556 11.939 1.00 0.00 H new ATOM 0 HG SER A 87 -5.945 18.712 11.214 1.00 0.00 H new ATOM 1288 N GLY A 88 -9.166 17.028 12.974 1.00 0.00 N ATOM 1289 CA GLY A 88 -10.222 17.141 13.963 1.00 0.00 C ATOM 1290 C GLY A 88 -10.133 18.426 14.761 1.00 0.00 C ATOM 1291 O GLY A 88 -9.288 19.284 14.506 1.00 0.00 O ATOM 0 H GLY A 88 -8.908 17.905 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.190 17.093 13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.172 16.290 14.643 1.00 0.00 H new ATOM 1295 N PRO A 89 -11.024 18.574 15.753 1.00 0.00 N ATOM 1296 CA PRO A 89 -11.065 19.763 16.610 1.00 0.00 C ATOM 1297 C PRO A 89 -9.863 19.844 17.546 1.00 0.00 C ATOM 1298 O PRO A 89 -9.415 20.933 17.902 1.00 0.00 O ATOM 1299 CB PRO A 89 -12.356 19.578 17.412 1.00 0.00 C ATOM 1300 CG PRO A 89 -12.585 18.106 17.426 1.00 0.00 C ATOM 1301 CD PRO A 89 -12.061 17.593 16.114 1.00 0.00 C ATOM 0 HA PRO A 89 -11.036 20.685 16.030 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -12.254 19.973 18.423 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.190 20.104 16.947 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.066 17.638 18.263 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.645 17.877 17.539 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.648 16.589 16.211 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.846 17.543 15.360 1.00 0.00 H new ATOM 1309 N SER A 90 -9.347 18.684 17.940 1.00 0.00 N ATOM 1310 CA SER A 90 -8.199 18.624 18.837 1.00 0.00 C ATOM 1311 C SER A 90 -7.187 17.589 18.356 1.00 0.00 C ATOM 1312 O SER A 90 -7.525 16.680 17.598 1.00 0.00 O ATOM 1313 CB SER A 90 -8.653 18.288 20.258 1.00 0.00 C ATOM 1314 OG SER A 90 -7.563 17.850 21.051 1.00 0.00 O ATOM 0 H SER A 90 -9.706 17.774 17.652 1.00 0.00 H new ATOM 0 HA SER A 90 -7.719 19.602 18.838 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.109 19.166 20.715 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.418 17.512 20.225 1.00 0.00 H new ATOM 0 HG SER A 90 -7.879 17.643 21.955 1.00 0.00 H new ATOM 1320 N SER A 91 -5.943 17.734 18.802 1.00 0.00 N ATOM 1321 CA SER A 91 -4.880 16.815 18.415 1.00 0.00 C ATOM 1322 C SER A 91 -5.187 15.398 18.890 1.00 0.00 C ATOM 1323 O SER A 91 -5.151 15.111 20.085 1.00 0.00 O ATOM 1324 CB SER A 91 -3.540 17.279 18.990 1.00 0.00 C ATOM 1325 OG SER A 91 -2.529 16.310 18.774 1.00 0.00 O ATOM 0 H SER A 91 -5.647 18.480 19.432 1.00 0.00 H new ATOM 0 HA SER A 91 -4.817 16.809 17.327 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.249 18.222 18.527 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.645 17.468 20.058 1.00 0.00 H new ATOM 0 HG SER A 91 -1.683 16.631 19.149 1.00 0.00 H new ATOM 1331 N GLY A 92 -5.489 14.515 17.942 1.00 0.00 N ATOM 1332 CA GLY A 92 -5.799 13.139 18.283 1.00 0.00 C ATOM 1333 C GLY A 92 -4.666 12.190 17.947 1.00 0.00 C ATOM 1334 O GLY A 92 -3.815 11.947 18.802 1.00 0.00 O ATOM 0 H GLY A 92 -5.524 14.728 16.945 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.021 13.073 19.348 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.698 12.830 17.750 1.00 0.00 H new TER 1338 GLY A 92 HETATM 1339 ZN ZN A 201 16.110 -0.547 6.148 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 2.109 0.831 3.028 1.00 0.00 ZN