USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= 0.867 K(o=1.9,f=-1.9) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 172:sc= 0.996 (180deg=0) USER MOD Set 2.1: A 43 SER OG : rot -88:sc= 0.196 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.191 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 7 GLN : amide:sc= 0.0845 X(o=0.084,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0.421 (180deg=0.377) USER MOD Single : A 14 TYR OH : rot 11:sc= 1.3 USER MOD Single : A 16 ASN : amide:sc= -0.66 K(o=-0.66,f=-4.4!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.195 USER MOD Single : A 22 SER OG : rot -90:sc= 1.02 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 SER OG : rot -150:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0.0017) USER MOD Single : A 34 GLN : amide:sc= -0.0818 K(o=-0.082,f=-0.75) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0747 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.145 -5.851 -5.465 1.00 25.00 N ATOM 2 CA GLY A 1 5.143 -5.276 -6.403 1.00 25.00 C ATOM 3 C GLY A 1 5.361 -3.801 -6.607 1.00 25.00 C ATOM 4 O GLY A 1 6.390 -3.287 -6.191 1.00 25.00 O ATOM 0 H1 GLY A 1 6.630 -6.649 -5.922 1.00 25.00 H new ATOM 0 H2 GLY A 1 6.842 -5.122 -5.212 1.00 25.00 H new ATOM 0 H3 GLY A 1 5.664 -6.184 -4.605 1.00 25.00 H new ATOM 0 HA2 GLY A 1 5.204 -5.790 -7.362 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.139 -5.446 -6.014 1.00 25.00 H new ATOM 10 N SER A 2 4.410 -3.116 -7.225 1.00 25.00 N ATOM 11 CA SER A 2 4.501 -1.667 -7.459 1.00 25.00 C ATOM 12 C SER A 2 3.138 -1.076 -7.128 1.00 25.00 C ATOM 13 O SER A 2 2.134 -1.783 -7.221 1.00 25.00 O ATOM 14 CB SER A 2 4.834 -1.386 -8.934 1.00 25.00 C ATOM 15 OG SER A 2 6.061 -1.993 -9.315 1.00 25.00 O ATOM 0 H SER A 2 3.553 -3.540 -7.581 1.00 25.00 H new ATOM 0 HA SER A 2 5.285 -1.228 -6.842 1.00 25.00 H new ATOM 0 HB2 SER A 2 4.030 -1.760 -9.567 1.00 25.00 H new ATOM 0 HB3 SER A 2 4.893 -0.310 -9.096 1.00 25.00 H new ATOM 0 HG SER A 2 6.244 -1.798 -10.258 1.00 25.00 H new ATOM 21 N PRO A 3 3.072 0.209 -6.727 1.00 25.00 N ATOM 22 CA PRO A 3 1.728 0.726 -6.441 1.00 25.00 C ATOM 23 C PRO A 3 0.904 0.917 -7.715 1.00 25.00 C ATOM 24 O PRO A 3 1.433 1.302 -8.753 1.00 25.00 O ATOM 25 CB PRO A 3 2.012 2.061 -5.755 1.00 25.00 C ATOM 26 CG PRO A 3 3.304 2.505 -6.345 1.00 25.00 C ATOM 27 CD PRO A 3 4.108 1.240 -6.515 1.00 25.00 C ATOM 0 HA PRO A 3 1.135 0.044 -5.831 1.00 25.00 H new ATOM 0 HB2 PRO A 3 1.218 2.783 -5.945 1.00 25.00 H new ATOM 0 HB3 PRO A 3 2.086 1.946 -4.674 1.00 25.00 H new ATOM 0 HG2 PRO A 3 3.150 3.007 -7.300 1.00 25.00 H new ATOM 0 HG3 PRO A 3 3.814 3.213 -5.692 1.00 25.00 H new ATOM 0 HD2 PRO A 3 4.789 1.307 -7.363 1.00 25.00 H new ATOM 0 HD3 PRO A 3 4.714 1.027 -5.635 1.00 25.00 H new ATOM 35 N THR A 4 -0.395 0.670 -7.630 1.00 25.00 N ATOM 36 CA THR A 4 -1.288 0.831 -8.783 1.00 25.00 C ATOM 37 C THR A 4 -1.555 2.310 -9.050 1.00 25.00 C ATOM 38 O THR A 4 -2.031 2.686 -10.103 1.00 25.00 O ATOM 39 CB THR A 4 -2.624 0.126 -8.523 1.00 25.00 C ATOM 40 OG1 THR A 4 -3.096 0.496 -7.224 1.00 25.00 O ATOM 41 CG2 THR A 4 -2.450 -1.390 -8.548 1.00 25.00 C ATOM 0 H THR A 4 -0.860 0.357 -6.778 1.00 25.00 H new ATOM 0 HA THR A 4 -0.801 0.387 -9.651 1.00 25.00 H new ATOM 0 HB THR A 4 -3.329 0.422 -9.300 1.00 25.00 H new ATOM 0 HG1 THR A 4 -3.952 0.052 -7.048 1.00 25.00 H new ATOM 0 HG21 THR A 4 -3.411 -1.870 -8.361 1.00 25.00 H new ATOM 0 HG22 THR A 4 -2.075 -1.697 -9.524 1.00 25.00 H new ATOM 0 HG23 THR A 4 -1.740 -1.687 -7.776 1.00 25.00 H new ATOM 49 N PHE A 5 -1.177 3.139 -8.084 1.00 25.00 N ATOM 50 CA PHE A 5 -1.340 4.592 -8.158 1.00 25.00 C ATOM 51 C PHE A 5 -0.690 5.232 -9.396 1.00 25.00 C ATOM 52 O PHE A 5 -1.145 6.271 -9.853 1.00 25.00 O ATOM 53 CB PHE A 5 -0.724 5.192 -6.890 1.00 25.00 C ATOM 54 CG PHE A 5 -0.814 6.692 -6.805 1.00 25.00 C ATOM 55 CD1 PHE A 5 0.261 7.488 -7.235 1.00 25.00 C ATOM 56 CD2 PHE A 5 -1.949 7.315 -6.256 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.229 8.897 -7.100 1.00 25.00 C ATOM 58 CE2 PHE A 5 -1.999 8.731 -6.128 1.00 25.00 C ATOM 59 CZ PHE A 5 -0.900 9.515 -6.546 1.00 25.00 C ATOM 0 H PHE A 5 -0.744 2.821 -7.217 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.406 4.802 -8.241 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.220 4.761 -6.021 1.00 25.00 H new ATOM 0 HB3 PHE A 5 0.325 4.899 -6.837 1.00 25.00 H new ATOM 0 HD1 PHE A 5 1.127 7.017 -7.676 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -2.786 6.716 -5.930 1.00 25.00 H new ATOM 0 HE1 PHE A 5 1.070 9.492 -7.422 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.875 9.206 -5.712 1.00 25.00 H new ATOM 0 HZ PHE A 5 -0.930 10.589 -6.439 1.00 25.00 H new ATOM 69 N CYS A 6 0.381 4.635 -9.909 1.00 25.00 N ATOM 70 CA CYS A 6 1.094 5.173 -11.077 1.00 25.00 C ATOM 71 C CYS A 6 0.953 4.272 -12.316 1.00 25.00 C ATOM 72 O CYS A 6 1.329 4.647 -13.419 1.00 25.00 O ATOM 73 CB CYS A 6 2.579 5.362 -10.727 1.00 25.00 C ATOM 74 SG CYS A 6 3.580 6.171 -12.022 1.00 25.00 S ATOM 0 H CYS A 6 0.781 3.774 -9.537 1.00 25.00 H new ATOM 0 HA CYS A 6 0.643 6.133 -11.328 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.649 5.952 -9.813 1.00 25.00 H new ATOM 0 HB3 CYS A 6 3.013 4.386 -10.510 1.00 25.00 H new ATOM 79 N GLN A 7 0.426 3.074 -12.141 1.00 25.00 N ATOM 80 CA GLN A 7 0.285 2.157 -13.241 1.00 25.00 C ATOM 81 C GLN A 7 -0.836 2.633 -14.155 1.00 25.00 C ATOM 82 O GLN A 7 -1.937 2.917 -13.703 1.00 25.00 O ATOM 83 CB GLN A 7 0.005 0.786 -12.680 1.00 25.00 C ATOM 84 CG GLN A 7 1.245 0.132 -12.067 1.00 25.00 C ATOM 85 CD GLN A 7 0.956 -1.235 -11.482 1.00 25.00 C ATOM 86 OE1 GLN A 7 0.580 -2.153 -12.177 1.00 25.00 O ATOM 87 NE2 GLN A 7 1.156 -1.370 -10.199 1.00 25.00 N ATOM 0 H GLN A 7 0.091 2.720 -11.245 1.00 25.00 H new ATOM 0 HA GLN A 7 1.198 2.112 -13.835 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -0.773 0.861 -11.921 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -0.383 0.146 -13.473 1.00 25.00 H new ATOM 0 HG2 GLN A 7 2.017 0.040 -12.831 1.00 25.00 H new ATOM 0 HG3 GLN A 7 1.644 0.780 -11.286 1.00 25.00 H new ATOM 0 HE21 GLN A 7 1.473 -0.574 -9.646 1.00 25.00 H new ATOM 0 HE22 GLN A 7 0.995 -2.272 -9.750 1.00 25.00 H new ATOM 96 N GLY A 8 -0.529 2.768 -15.439 1.00 25.00 N ATOM 97 CA GLY A 8 -1.506 3.249 -16.403 1.00 25.00 C ATOM 98 C GLY A 8 -1.541 4.762 -16.507 1.00 25.00 C ATOM 99 O GLY A 8 -2.341 5.321 -17.247 1.00 25.00 O ATOM 0 H GLY A 8 0.386 2.552 -15.834 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -1.279 2.828 -17.383 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -2.495 2.887 -16.122 1.00 25.00 H new ATOM 103 N LYS A 9 -0.673 5.437 -15.762 1.00 25.00 N ATOM 104 CA LYS A 9 -0.605 6.900 -15.795 1.00 25.00 C ATOM 105 C LYS A 9 0.546 7.391 -16.646 1.00 25.00 C ATOM 106 O LYS A 9 1.598 6.765 -16.708 1.00 25.00 O ATOM 107 CB LYS A 9 -0.460 7.462 -14.403 1.00 25.00 C ATOM 108 CG LYS A 9 -1.788 7.580 -13.713 1.00 25.00 C ATOM 109 CD LYS A 9 -1.603 8.312 -12.444 1.00 25.00 C ATOM 110 CE LYS A 9 -2.883 8.317 -11.614 1.00 25.00 C ATOM 111 NZ LYS A 9 -2.600 8.815 -10.227 1.00 25.00 N ATOM 0 H LYS A 9 -0.006 4.999 -15.127 1.00 25.00 H new ATOM 0 HA LYS A 9 -1.539 7.248 -16.237 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.199 6.820 -13.818 1.00 25.00 H new ATOM 0 HB3 LYS A 9 0.013 8.443 -14.454 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -2.499 8.105 -14.351 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -2.202 6.590 -13.521 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -0.798 7.853 -11.871 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -1.300 9.338 -12.654 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -3.631 8.951 -12.090 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -3.300 7.311 -11.569 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -3.497 8.975 -9.726 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -2.037 8.108 -9.712 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -2.069 9.708 -10.280 1.00 25.00 H new ATOM 125 N ALA A 10 0.325 8.536 -17.271 1.00 25.00 N ATOM 126 CA ALA A 10 1.353 9.225 -18.044 1.00 25.00 C ATOM 127 C ALA A 10 2.413 9.729 -17.069 1.00 25.00 C ATOM 128 O ALA A 10 2.162 9.829 -15.860 1.00 25.00 O ATOM 129 CB ALA A 10 0.746 10.401 -18.836 1.00 25.00 C ATOM 0 H ALA A 10 -0.574 9.018 -17.258 1.00 25.00 H new ATOM 0 HA ALA A 10 1.798 8.541 -18.766 1.00 25.00 H new ATOM 0 HB1 ALA A 10 1.531 10.900 -19.405 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -0.015 10.025 -19.520 1.00 25.00 H new ATOM 0 HB3 ALA A 10 0.293 11.110 -18.144 1.00 25.00 H new ATOM 135 N ASP A 11 3.583 10.034 -17.593 1.00 25.00 N ATOM 136 CA ASP A 11 4.673 10.588 -16.800 1.00 25.00 C ATOM 137 C ASP A 11 4.380 12.048 -16.413 1.00 25.00 C ATOM 138 O ASP A 11 3.329 12.597 -16.743 1.00 25.00 O ATOM 139 CB ASP A 11 5.978 10.495 -17.598 1.00 25.00 C ATOM 140 CG ASP A 11 5.918 11.271 -18.907 1.00 25.00 C ATOM 141 OD1 ASP A 11 6.687 12.236 -19.058 1.00 25.00 O ATOM 142 OD2 ASP A 11 5.136 10.870 -19.803 1.00 25.00 O ATOM 0 H ASP A 11 3.810 9.907 -18.579 1.00 25.00 H new ATOM 0 HA ASP A 11 4.771 10.013 -15.879 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.799 10.876 -16.991 1.00 25.00 H new ATOM 0 HB3 ASP A 11 6.197 9.448 -17.810 1.00 25.00 H new ATOM 147 N GLY A 12 5.303 12.663 -15.682 1.00 25.00 N ATOM 148 CA GLY A 12 5.133 14.036 -15.238 1.00 25.00 C ATOM 149 C GLY A 12 4.745 14.117 -13.774 1.00 25.00 C ATOM 150 O GLY A 12 4.698 13.088 -13.083 1.00 25.00 O ATOM 0 H GLY A 12 6.177 12.229 -15.385 1.00 25.00 H new ATOM 0 HA2 GLY A 12 6.060 14.586 -15.398 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.367 14.520 -15.843 1.00 25.00 H new ATOM 154 N LEU A 13 4.497 15.325 -13.283 1.00 25.00 N ATOM 155 CA LEU A 13 4.131 15.530 -11.875 1.00 25.00 C ATOM 156 C LEU A 13 2.610 15.630 -11.689 1.00 25.00 C ATOM 157 O LEU A 13 1.906 16.181 -12.528 1.00 25.00 O ATOM 158 CB LEU A 13 4.769 16.809 -11.320 1.00 25.00 C ATOM 159 CG LEU A 13 6.303 16.920 -11.298 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.691 18.227 -10.622 1.00 25.00 C ATOM 161 CD2 LEU A 13 6.955 15.772 -10.555 1.00 25.00 C ATOM 0 H LEU A 13 4.541 16.182 -13.834 1.00 25.00 H new ATOM 0 HA LEU A 13 4.503 14.661 -11.332 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.385 17.648 -11.900 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.414 16.939 -10.298 1.00 25.00 H new ATOM 0 HG LEU A 13 6.653 16.888 -12.330 1.00 25.00 H new ATOM 0 HD11 LEU A 13 7.777 18.317 -10.600 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.268 19.064 -11.178 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.306 18.238 -9.602 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.038 15.898 -10.569 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.604 15.760 -9.523 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.693 14.831 -11.038 1.00 25.00 H new ATOM 173 N TYR A 14 2.126 15.127 -10.562 1.00 25.00 N ATOM 174 CA TYR A 14 0.698 15.154 -10.223 1.00 25.00 C ATOM 175 C TYR A 14 0.523 15.815 -8.847 1.00 25.00 C ATOM 176 O TYR A 14 1.397 15.690 -7.988 1.00 25.00 O ATOM 177 CB TYR A 14 0.131 13.724 -10.191 1.00 25.00 C ATOM 178 CG TYR A 14 0.063 13.068 -11.542 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.169 12.380 -12.045 1.00 25.00 C ATOM 180 CD2 TYR A 14 -1.112 13.124 -12.327 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.127 11.757 -13.320 1.00 25.00 C ATOM 182 CE2 TYR A 14 -1.164 12.493 -13.599 1.00 25.00 C ATOM 183 CZ TYR A 14 -0.042 11.818 -14.083 1.00 25.00 C ATOM 184 OH TYR A 14 -0.106 11.212 -15.306 1.00 25.00 O ATOM 0 H TYR A 14 2.709 14.686 -9.851 1.00 25.00 H new ATOM 0 HA TYR A 14 0.158 15.724 -10.978 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.748 13.113 -9.532 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.869 13.749 -9.759 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.071 12.321 -11.454 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.978 13.652 -11.956 1.00 25.00 H new ATOM 0 HE1 TYR A 14 1.995 11.238 -13.699 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -2.068 12.535 -14.189 1.00 25.00 H new ATOM 0 HH TYR A 14 0.678 10.636 -15.427 1.00 25.00 H new ATOM 194 N PRO A 15 -0.596 16.537 -8.623 1.00 25.00 N ATOM 195 CA PRO A 15 -0.766 17.218 -7.329 1.00 25.00 C ATOM 196 C PRO A 15 -1.002 16.283 -6.142 1.00 25.00 C ATOM 197 O PRO A 15 -1.481 15.157 -6.296 1.00 25.00 O ATOM 198 CB PRO A 15 -1.986 18.106 -7.568 1.00 25.00 C ATOM 199 CG PRO A 15 -2.771 17.368 -8.578 1.00 25.00 C ATOM 200 CD PRO A 15 -1.742 16.808 -9.516 1.00 25.00 C ATOM 0 HA PRO A 15 0.142 17.752 -7.048 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -2.556 18.257 -6.651 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -1.697 19.093 -7.930 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.363 16.576 -8.120 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.467 18.026 -9.099 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.094 15.901 -10.008 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.483 17.517 -10.302 1.00 25.00 H new ATOM 208 N ASN A 16 -0.662 16.777 -4.962 1.00 25.00 N ATOM 209 CA ASN A 16 -0.777 16.045 -3.703 1.00 25.00 C ATOM 210 C ASN A 16 -2.102 16.378 -2.993 1.00 25.00 C ATOM 211 O ASN A 16 -2.671 17.438 -3.213 1.00 25.00 O ATOM 212 CB ASN A 16 0.404 16.405 -2.797 1.00 25.00 C ATOM 213 CG ASN A 16 0.339 17.834 -2.291 1.00 25.00 C ATOM 214 OD1 ASN A 16 -0.038 18.753 -3.004 1.00 25.00 O ATOM 215 ND2 ASN A 16 0.690 18.017 -1.056 1.00 25.00 N ATOM 0 H ASN A 16 -0.289 17.719 -4.847 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.765 14.976 -3.917 1.00 25.00 H new ATOM 0 HB2 ASN A 16 0.425 15.723 -1.947 1.00 25.00 H new ATOM 0 HB3 ASN A 16 1.335 16.260 -3.345 1.00 25.00 H new ATOM 0 HD21 ASN A 16 0.657 18.952 -0.650 1.00 25.00 H new ATOM 0 HD22 ASN A 16 0.999 17.226 -0.491 1.00 25.00 H new ATOM 222 N PRO A 17 -2.625 15.461 -2.155 1.00 25.00 N ATOM 223 CA PRO A 17 -3.913 15.787 -1.522 1.00 25.00 C ATOM 224 C PRO A 17 -3.854 16.816 -0.381 1.00 25.00 C ATOM 225 O PRO A 17 -4.854 17.469 -0.109 1.00 25.00 O ATOM 226 CB PRO A 17 -4.373 14.433 -0.988 1.00 25.00 C ATOM 227 CG PRO A 17 -3.106 13.723 -0.657 1.00 25.00 C ATOM 228 CD PRO A 17 -2.155 14.119 -1.758 1.00 25.00 C ATOM 0 HA PRO A 17 -4.578 16.264 -2.241 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -5.008 14.546 -0.109 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -4.953 13.887 -1.732 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -2.728 14.021 0.321 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -3.252 12.643 -0.627 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -1.123 14.143 -1.408 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -2.192 13.418 -2.592 1.00 25.00 H new ATOM 236 N ARG A 18 -2.717 16.930 0.308 1.00 25.00 N ATOM 237 CA ARG A 18 -2.566 17.888 1.421 1.00 25.00 C ATOM 238 C ARG A 18 -1.090 18.106 1.770 1.00 25.00 C ATOM 239 O ARG A 18 -0.504 19.088 1.348 1.00 25.00 O ATOM 240 CB ARG A 18 -3.356 17.413 2.659 1.00 25.00 C ATOM 241 CG ARG A 18 -3.492 18.479 3.744 1.00 25.00 C ATOM 242 CD ARG A 18 -4.407 17.981 4.863 1.00 25.00 C ATOM 243 NE ARG A 18 -4.695 19.031 5.855 1.00 25.00 N ATOM 244 CZ ARG A 18 -5.518 18.898 6.892 1.00 25.00 C ATOM 245 NH1 ARG A 18 -6.166 17.786 7.129 1.00 25.00 N ATOM 246 NH2 ARG A 18 -5.693 19.906 7.697 1.00 25.00 N ATOM 0 H ARG A 18 -1.883 16.374 0.120 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.976 18.845 1.097 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -4.351 17.097 2.345 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -2.862 16.538 3.081 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -2.510 18.723 4.149 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -3.896 19.396 3.315 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -5.343 17.623 4.433 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -3.940 17.131 5.361 1.00 25.00 H new ATOM 0 HE ARG A 18 -4.227 19.930 5.738 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -6.048 16.985 6.509 1.00 25.00 H new ATOM 0 HH12 ARG A 18 -6.789 17.720 7.934 1.00 25.00 H new ATOM 0 HH21 ARG A 18 -5.202 20.784 7.529 1.00 25.00 H new ATOM 0 HH22 ARG A 18 -6.321 19.818 8.496 1.00 25.00 H new ATOM 260 N GLU A 19 -0.509 17.162 2.504 1.00 25.00 N ATOM 261 CA GLU A 19 0.896 17.212 2.958 1.00 25.00 C ATOM 262 C GLU A 19 1.332 18.648 3.373 1.00 25.00 C ATOM 263 O GLU A 19 0.643 19.284 4.182 1.00 25.00 O ATOM 264 CB GLU A 19 1.810 16.546 1.900 1.00 25.00 C ATOM 265 CG GLU A 19 3.019 15.796 2.487 1.00 25.00 C ATOM 266 CD GLU A 19 4.166 16.729 2.812 1.00 25.00 C ATOM 267 OE1 GLU A 19 4.610 16.765 3.969 1.00 25.00 O ATOM 268 OE2 GLU A 19 4.526 17.539 1.916 1.00 25.00 O ATOM 0 H GLU A 19 -1.001 16.323 2.810 1.00 25.00 H new ATOM 0 HA GLU A 19 0.998 16.631 3.875 1.00 25.00 H new ATOM 0 HB2 GLU A 19 1.215 15.847 1.312 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.171 17.313 1.215 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.714 15.269 3.391 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.356 15.041 1.777 1.00 25.00 H new ATOM 275 N ARG A 20 2.455 19.130 2.849 1.00 25.00 N ATOM 276 CA ARG A 20 2.979 20.464 3.149 1.00 25.00 C ATOM 277 C ARG A 20 3.460 21.141 1.867 1.00 25.00 C ATOM 278 O ARG A 20 3.055 22.258 1.554 1.00 25.00 O ATOM 279 CB ARG A 20 4.172 20.376 4.120 1.00 25.00 C ATOM 280 CG ARG A 20 3.861 19.788 5.492 1.00 25.00 C ATOM 281 CD ARG A 20 2.981 20.703 6.325 1.00 25.00 C ATOM 282 NE ARG A 20 2.822 20.183 7.699 1.00 25.00 N ATOM 283 CZ ARG A 20 3.641 20.432 8.715 1.00 25.00 C ATOM 284 NH1 ARG A 20 3.392 19.896 9.874 1.00 25.00 N ATOM 285 NH2 ARG A 20 4.703 21.188 8.596 1.00 25.00 N ATOM 0 H ARG A 20 3.035 18.602 2.197 1.00 25.00 H new ATOM 0 HA ARG A 20 2.174 21.041 3.604 1.00 25.00 H new ATOM 0 HB2 ARG A 20 4.953 19.774 3.655 1.00 25.00 H new ATOM 0 HB3 ARG A 20 4.581 21.377 4.257 1.00 25.00 H new ATOM 0 HG2 ARG A 20 3.366 18.825 5.368 1.00 25.00 H new ATOM 0 HG3 ARG A 20 4.793 19.601 6.024 1.00 25.00 H new ATOM 0 HD2 ARG A 20 3.418 21.701 6.359 1.00 25.00 H new ATOM 0 HD3 ARG A 20 2.003 20.799 5.854 1.00 25.00 H new ATOM 0 HE ARG A 20 2.017 19.584 7.882 1.00 25.00 H new ATOM 0 HH11 ARG A 20 2.577 19.294 9.993 1.00 25.00 H new ATOM 0 HH12 ARG A 20 4.012 20.078 10.664 1.00 25.00 H new ATOM 0 HH21 ARG A 20 4.929 21.612 7.696 1.00 25.00 H new ATOM 0 HH22 ARG A 20 5.305 21.353 9.403 1.00 25.00 H new ATOM 299 N SER A 21 4.366 20.482 1.156 1.00 25.00 N ATOM 300 CA SER A 21 4.997 21.076 -0.040 1.00 25.00 C ATOM 301 C SER A 21 5.535 20.010 -0.999 1.00 25.00 C ATOM 302 O SER A 21 6.682 20.071 -1.433 1.00 25.00 O ATOM 303 CB SER A 21 6.163 21.975 0.392 1.00 25.00 C ATOM 304 OG SER A 21 5.734 22.961 1.316 1.00 25.00 O ATOM 0 H SER A 21 4.687 19.539 1.377 1.00 25.00 H new ATOM 0 HA SER A 21 4.231 21.650 -0.561 1.00 25.00 H new ATOM 0 HB2 SER A 21 6.947 21.367 0.843 1.00 25.00 H new ATOM 0 HB3 SER A 21 6.598 22.458 -0.483 1.00 25.00 H new ATOM 0 HG SER A 21 6.496 23.519 1.576 1.00 25.00 H new ATOM 310 N SER A 22 4.710 19.013 -1.277 1.00 25.00 N ATOM 311 CA SER A 22 5.134 17.870 -2.078 1.00 25.00 C ATOM 312 C SER A 22 4.121 17.537 -3.144 1.00 25.00 C ATOM 313 O SER A 22 3.040 18.096 -3.169 1.00 25.00 O ATOM 314 CB SER A 22 5.320 16.677 -1.155 1.00 25.00 C ATOM 315 OG SER A 22 4.106 16.375 -0.500 1.00 25.00 O ATOM 0 H SER A 22 3.741 18.970 -0.960 1.00 25.00 H new ATOM 0 HA SER A 22 6.070 18.118 -2.579 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.657 15.813 -1.728 1.00 25.00 H new ATOM 0 HB3 SER A 22 6.095 16.894 -0.420 1.00 25.00 H new ATOM 0 HG SER A 22 4.055 16.875 0.341 1.00 25.00 H new ATOM 321 N PHE A 23 4.508 16.656 -4.053 1.00 25.00 N ATOM 322 CA PHE A 23 3.704 16.271 -5.210 1.00 25.00 C ATOM 323 C PHE A 23 4.133 14.863 -5.601 1.00 25.00 C ATOM 324 O PHE A 23 5.089 14.324 -5.048 1.00 25.00 O ATOM 325 CB PHE A 23 3.929 17.248 -6.367 1.00 25.00 C ATOM 326 CG PHE A 23 4.922 18.313 -6.059 1.00 25.00 C ATOM 327 CD1 PHE A 23 4.538 19.529 -5.464 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.255 18.085 -6.333 1.00 25.00 C ATOM 329 CE1 PHE A 23 5.506 20.486 -5.124 1.00 25.00 C ATOM 330 CE2 PHE A 23 7.243 19.038 -6.014 1.00 25.00 C ATOM 331 CZ PHE A 23 6.857 20.232 -5.403 1.00 25.00 C ATOM 0 H PHE A 23 5.407 16.177 -4.009 1.00 25.00 H new ATOM 0 HA PHE A 23 2.641 16.296 -4.971 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.264 16.692 -7.242 1.00 25.00 H new ATOM 0 HB3 PHE A 23 2.979 17.713 -6.630 1.00 25.00 H new ATOM 0 HD1 PHE A 23 3.494 19.726 -5.268 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.547 17.157 -6.802 1.00 25.00 H new ATOM 0 HE1 PHE A 23 5.213 21.412 -4.651 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.282 18.847 -6.239 1.00 25.00 H new ATOM 0 HZ PHE A 23 7.605 20.967 -5.143 1.00 25.00 H new ATOM 341 N TYR A 24 3.443 14.277 -6.563 1.00 25.00 N ATOM 342 CA TYR A 24 3.754 12.931 -7.022 1.00 25.00 C ATOM 343 C TYR A 24 4.439 13.040 -8.366 1.00 25.00 C ATOM 344 O TYR A 24 4.300 14.046 -9.044 1.00 25.00 O ATOM 345 CB TYR A 24 2.478 12.126 -7.220 1.00 25.00 C ATOM 346 CG TYR A 24 1.657 11.940 -5.975 1.00 25.00 C ATOM 347 CD1 TYR A 24 2.029 10.987 -5.015 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.491 12.687 -5.760 1.00 25.00 C ATOM 349 CE1 TYR A 24 1.256 10.786 -3.853 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.304 12.479 -4.602 1.00 25.00 C ATOM 351 CZ TYR A 24 0.092 11.528 -3.656 1.00 25.00 C ATOM 352 OH TYR A 24 -0.678 11.318 -2.539 1.00 25.00 O ATOM 0 H TYR A 24 2.658 14.714 -7.046 1.00 25.00 H new ATOM 0 HA TYR A 24 4.385 12.439 -6.282 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.865 12.621 -7.973 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.740 11.145 -7.616 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.921 10.398 -5.168 1.00 25.00 H new ATOM 0 HD2 TYR A 24 0.193 13.431 -6.484 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.565 10.059 -3.117 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.208 13.051 -4.453 1.00 25.00 H new ATOM 0 HH TYR A 24 -0.107 11.024 -1.799 1.00 25.00 H new ATOM 362 N SER A 25 5.135 11.992 -8.758 1.00 25.00 N ATOM 363 CA SER A 25 5.791 11.927 -10.058 1.00 25.00 C ATOM 364 C SER A 25 5.652 10.522 -10.596 1.00 25.00 C ATOM 365 O SER A 25 5.767 9.551 -9.838 1.00 25.00 O ATOM 366 CB SER A 25 7.276 12.253 -9.906 1.00 25.00 C ATOM 367 OG SER A 25 7.473 13.154 -8.836 1.00 25.00 O ATOM 0 H SER A 25 5.265 11.157 -8.186 1.00 25.00 H new ATOM 0 HA SER A 25 5.332 12.645 -10.737 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.840 11.337 -9.728 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.657 12.687 -10.831 1.00 25.00 H new ATOM 0 HG SER A 25 8.259 13.711 -9.017 1.00 25.00 H new ATOM 373 N CYS A 26 5.434 10.400 -11.894 1.00 25.00 N ATOM 374 CA CYS A 26 5.386 9.093 -12.533 1.00 25.00 C ATOM 375 C CYS A 26 6.541 9.003 -13.509 1.00 25.00 C ATOM 376 O CYS A 26 6.712 9.877 -14.352 1.00 25.00 O ATOM 377 CB CYS A 26 4.050 8.888 -13.241 1.00 25.00 C ATOM 378 SG CYS A 26 2.813 8.045 -12.196 1.00 25.00 S ATOM 0 H CYS A 26 5.288 11.187 -12.526 1.00 25.00 H new ATOM 0 HA CYS A 26 5.476 8.306 -11.785 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.657 9.856 -13.551 1.00 25.00 H new ATOM 0 HB3 CYS A 26 4.211 8.304 -14.147 1.00 25.00 H new ATOM 383 N ALA A 27 7.334 7.948 -13.384 1.00 25.00 N ATOM 384 CA ALA A 27 8.462 7.721 -14.282 1.00 25.00 C ATOM 385 C ALA A 27 8.618 6.210 -14.432 1.00 25.00 C ATOM 386 O ALA A 27 8.640 5.500 -13.436 1.00 25.00 O ATOM 387 CB ALA A 27 9.741 8.352 -13.700 1.00 25.00 C ATOM 0 H ALA A 27 7.218 7.232 -12.667 1.00 25.00 H new ATOM 0 HA ALA A 27 8.289 8.182 -15.254 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.575 8.176 -14.379 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.594 9.425 -13.577 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.960 7.902 -12.732 1.00 25.00 H new ATOM 393 N ALA A 28 8.673 5.733 -15.670 1.00 25.00 N ATOM 394 CA ALA A 28 8.781 4.298 -15.981 1.00 25.00 C ATOM 395 C ALA A 28 7.686 3.445 -15.298 1.00 25.00 C ATOM 396 O ALA A 28 7.907 2.285 -14.946 1.00 25.00 O ATOM 397 CB ALA A 28 10.191 3.774 -15.599 1.00 25.00 C ATOM 0 H ALA A 28 8.644 6.329 -16.497 1.00 25.00 H new ATOM 0 HA ALA A 28 8.629 4.196 -17.055 1.00 25.00 H new ATOM 0 HB1 ALA A 28 10.260 2.712 -15.833 1.00 25.00 H new ATOM 0 HB2 ALA A 28 10.947 4.320 -16.163 1.00 25.00 H new ATOM 0 HB3 ALA A 28 10.357 3.922 -14.532 1.00 25.00 H new ATOM 403 N GLY A 29 6.518 4.035 -15.090 1.00 25.00 N ATOM 404 CA GLY A 29 5.421 3.337 -14.436 1.00 25.00 C ATOM 405 C GLY A 29 5.608 3.162 -12.935 1.00 25.00 C ATOM 406 O GLY A 29 4.856 2.427 -12.288 1.00 25.00 O ATOM 0 H GLY A 29 6.306 4.994 -15.364 1.00 25.00 H new ATOM 0 HA2 GLY A 29 4.496 3.885 -14.615 1.00 25.00 H new ATOM 0 HA3 GLY A 29 5.303 2.355 -14.894 1.00 25.00 H new ATOM 410 N ARG A 30 6.621 3.809 -12.373 1.00 25.00 N ATOM 411 CA ARG A 30 6.903 3.732 -10.944 1.00 25.00 C ATOM 412 C ARG A 30 6.590 5.073 -10.321 1.00 25.00 C ATOM 413 O ARG A 30 6.732 6.113 -10.959 1.00 25.00 O ATOM 414 CB ARG A 30 8.379 3.371 -10.696 1.00 25.00 C ATOM 415 CG ARG A 30 8.864 2.100 -11.398 1.00 25.00 C ATOM 416 CD ARG A 30 7.991 0.882 -11.071 1.00 25.00 C ATOM 417 NE ARG A 30 8.535 -0.348 -11.665 1.00 25.00 N ATOM 418 CZ ARG A 30 9.289 -1.242 -11.036 1.00 25.00 C ATOM 419 NH1 ARG A 30 9.714 -2.284 -11.690 1.00 25.00 N ATOM 420 NH2 ARG A 30 9.623 -1.120 -9.771 1.00 25.00 N ATOM 0 H ARG A 30 7.269 4.401 -12.893 1.00 25.00 H new ATOM 0 HA ARG A 30 6.287 2.953 -10.495 1.00 25.00 H new ATOM 0 HB2 ARG A 30 9.000 4.206 -11.020 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.533 3.256 -9.623 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.867 2.262 -12.476 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.893 1.896 -11.103 1.00 25.00 H new ATOM 0 HD2 ARG A 30 7.920 0.764 -9.990 1.00 25.00 H new ATOM 0 HD3 ARG A 30 6.979 1.049 -11.441 1.00 25.00 H new ATOM 0 HE ARG A 30 8.314 -0.530 -12.644 1.00 25.00 H new ATOM 0 HH11 ARG A 30 9.467 -2.405 -12.672 1.00 25.00 H new ATOM 0 HH12 ARG A 30 10.294 -2.979 -11.220 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.301 -0.315 -9.234 1.00 25.00 H new ATOM 0 HH22 ARG A 30 10.204 -1.830 -9.326 1.00 25.00 H new ATOM 434 N LEU A 31 6.143 5.028 -9.078 1.00 25.00 N ATOM 435 CA LEU A 31 5.784 6.231 -8.350 1.00 25.00 C ATOM 436 C LEU A 31 6.988 6.777 -7.605 1.00 25.00 C ATOM 437 O LEU A 31 7.619 6.068 -6.826 1.00 25.00 O ATOM 438 CB LEU A 31 4.687 5.913 -7.325 1.00 25.00 C ATOM 439 CG LEU A 31 4.239 7.095 -6.444 1.00 25.00 C ATOM 440 CD1 LEU A 31 3.668 8.225 -7.289 1.00 25.00 C ATOM 441 CD2 LEU A 31 3.212 6.619 -5.416 1.00 25.00 C ATOM 0 H LEU A 31 6.020 4.164 -8.549 1.00 25.00 H new ATOM 0 HA LEU A 31 5.428 6.970 -9.068 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.817 5.529 -7.858 1.00 25.00 H new ATOM 0 HB3 LEU A 31 5.042 5.113 -6.676 1.00 25.00 H new ATOM 0 HG LEU A 31 5.112 7.483 -5.919 1.00 25.00 H new ATOM 0 HD11 LEU A 31 3.360 9.045 -6.640 1.00 25.00 H new ATOM 0 HD12 LEU A 31 4.428 8.579 -7.985 1.00 25.00 H new ATOM 0 HD13 LEU A 31 2.806 7.861 -7.848 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.900 7.460 -4.797 1.00 25.00 H new ATOM 0 HD22 LEU A 31 2.345 6.207 -5.932 1.00 25.00 H new ATOM 0 HD23 LEU A 31 3.658 5.850 -4.785 1.00 25.00 H new ATOM 453 N PHE A 32 7.225 8.064 -7.781 1.00 25.00 N ATOM 454 CA PHE A 32 8.166 8.804 -6.965 1.00 25.00 C ATOM 455 C PHE A 32 7.325 9.899 -6.335 1.00 25.00 C ATOM 456 O PHE A 32 6.347 10.331 -6.924 1.00 25.00 O ATOM 457 CB PHE A 32 9.286 9.401 -7.807 1.00 25.00 C ATOM 458 CG PHE A 32 10.280 8.387 -8.297 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.961 7.550 -9.379 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.534 8.255 -7.679 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.889 6.595 -9.852 1.00 25.00 C ATOM 462 CE2 PHE A 32 12.472 7.295 -8.144 1.00 25.00 C ATOM 463 CZ PHE A 32 12.149 6.474 -9.233 1.00 25.00 C ATOM 0 H PHE A 32 6.767 8.627 -8.498 1.00 25.00 H new ATOM 0 HA PHE A 32 8.659 8.170 -6.228 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.850 9.913 -8.665 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.809 10.154 -7.218 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.995 7.637 -9.855 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.788 8.889 -6.842 1.00 25.00 H new ATOM 0 HE1 PHE A 32 10.633 5.959 -10.686 1.00 25.00 H new ATOM 0 HE2 PHE A 32 13.432 7.198 -7.659 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.864 5.751 -9.597 1.00 25.00 H new ATOM 473 N GLN A 33 7.683 10.331 -5.144 1.00 25.00 N ATOM 474 CA GLN A 33 7.020 11.470 -4.519 1.00 25.00 C ATOM 475 C GLN A 33 8.144 12.473 -4.356 1.00 25.00 C ATOM 476 O GLN A 33 9.271 12.072 -4.058 1.00 25.00 O ATOM 477 CB GLN A 33 6.358 11.055 -3.200 1.00 25.00 C ATOM 478 CG GLN A 33 5.091 10.213 -3.423 1.00 25.00 C ATOM 479 CD GLN A 33 4.613 9.528 -2.164 1.00 25.00 C ATOM 480 OE1 GLN A 33 3.642 9.941 -1.558 1.00 25.00 O ATOM 481 NE2 GLN A 33 5.274 8.471 -1.781 1.00 25.00 N ATOM 0 H GLN A 33 8.428 9.915 -4.585 1.00 25.00 H new ATOM 0 HA GLN A 33 6.198 11.889 -5.099 1.00 25.00 H new ATOM 0 HB2 GLN A 33 7.070 10.485 -2.602 1.00 25.00 H new ATOM 0 HB3 GLN A 33 6.103 11.947 -2.628 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.297 10.854 -3.806 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.290 9.461 -4.187 1.00 25.00 H new ATOM 0 HE21 GLN A 33 6.084 8.155 -2.315 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.981 7.961 -0.948 1.00 25.00 H new ATOM 490 N GLN A 34 7.875 13.736 -4.643 1.00 25.00 N ATOM 491 CA GLN A 34 8.915 14.763 -4.657 1.00 25.00 C ATOM 492 C GLN A 34 8.466 15.993 -3.920 1.00 25.00 C ATOM 493 O GLN A 34 7.290 16.167 -3.657 1.00 25.00 O ATOM 494 CB GLN A 34 9.237 15.184 -6.102 1.00 25.00 C ATOM 495 CG GLN A 34 9.935 14.089 -6.929 1.00 25.00 C ATOM 496 CD GLN A 34 11.281 13.677 -6.351 1.00 25.00 C ATOM 497 OE1 GLN A 34 11.932 14.435 -5.655 1.00 25.00 O ATOM 498 NE2 GLN A 34 11.698 12.470 -6.643 1.00 25.00 N ATOM 0 H GLN A 34 6.942 14.080 -4.871 1.00 25.00 H new ATOM 0 HA GLN A 34 9.794 14.335 -4.175 1.00 25.00 H new ATOM 0 HB2 GLN A 34 8.311 15.469 -6.602 1.00 25.00 H new ATOM 0 HB3 GLN A 34 9.873 16.069 -6.079 1.00 25.00 H new ATOM 0 HG2 GLN A 34 9.287 13.215 -6.985 1.00 25.00 H new ATOM 0 HG3 GLN A 34 10.077 14.446 -7.949 1.00 25.00 H new ATOM 0 HE21 GLN A 34 11.127 11.861 -7.229 1.00 25.00 H new ATOM 0 HE22 GLN A 34 12.594 12.139 -6.284 1.00 25.00 H new ATOM 507 N SER A 35 9.411 16.879 -3.672 1.00 25.00 N ATOM 508 CA SER A 35 9.137 18.205 -3.155 1.00 25.00 C ATOM 509 C SER A 35 10.055 19.072 -3.997 1.00 25.00 C ATOM 510 O SER A 35 11.021 18.557 -4.565 1.00 25.00 O ATOM 511 CB SER A 35 9.485 18.304 -1.665 1.00 25.00 C ATOM 512 OG SER A 35 10.849 17.984 -1.436 1.00 25.00 O ATOM 0 H SER A 35 10.403 16.696 -3.826 1.00 25.00 H new ATOM 0 HA SER A 35 8.087 18.492 -3.217 1.00 25.00 H new ATOM 0 HB2 SER A 35 9.280 19.313 -1.307 1.00 25.00 H new ATOM 0 HB3 SER A 35 8.849 17.628 -1.094 1.00 25.00 H new ATOM 0 HG SER A 35 11.046 18.056 -0.479 1.00 25.00 H new ATOM 518 N CYS A 36 9.768 20.359 -4.090 1.00 25.00 N ATOM 519 CA CYS A 36 10.650 21.294 -4.797 1.00 25.00 C ATOM 520 C CYS A 36 10.986 22.357 -3.746 1.00 25.00 C ATOM 521 O CYS A 36 10.312 23.375 -3.663 1.00 25.00 O ATOM 522 CB CYS A 36 9.976 21.907 -6.043 1.00 25.00 C ATOM 523 SG CYS A 36 9.978 20.758 -7.467 1.00 25.00 S ATOM 0 H CYS A 36 8.934 20.788 -3.688 1.00 25.00 H new ATOM 0 HA CYS A 36 11.540 20.801 -5.189 1.00 25.00 H new ATOM 0 HB2 CYS A 36 8.949 22.180 -5.801 1.00 25.00 H new ATOM 0 HB3 CYS A 36 10.494 22.826 -6.319 1.00 25.00 H new ATOM 528 N PRO A 37 11.919 22.051 -2.825 1.00 25.00 N ATOM 529 CA PRO A 37 12.026 22.946 -1.666 1.00 25.00 C ATOM 530 C PRO A 37 12.717 24.287 -1.921 1.00 25.00 C ATOM 531 O PRO A 37 12.252 25.324 -1.460 1.00 25.00 O ATOM 532 CB PRO A 37 12.821 22.099 -0.660 1.00 25.00 C ATOM 533 CG PRO A 37 13.660 21.203 -1.502 1.00 25.00 C ATOM 534 CD PRO A 37 12.806 20.877 -2.696 1.00 25.00 C ATOM 0 HA PRO A 37 11.037 23.260 -1.333 1.00 25.00 H new ATOM 0 HB2 PRO A 37 13.436 22.725 -0.013 1.00 25.00 H new ATOM 0 HB3 PRO A 37 12.157 21.527 -0.012 1.00 25.00 H new ATOM 0 HG2 PRO A 37 14.585 21.695 -1.801 1.00 25.00 H new ATOM 0 HG3 PRO A 37 13.940 20.300 -0.959 1.00 25.00 H new ATOM 0 HD2 PRO A 37 13.410 20.731 -3.592 1.00 25.00 H new ATOM 0 HD3 PRO A 37 12.237 19.960 -2.542 1.00 25.00 H new ATOM 542 N THR A 38 13.867 24.267 -2.581 1.00 25.00 N ATOM 543 CA THR A 38 14.650 25.462 -2.807 1.00 25.00 C ATOM 544 C THR A 38 14.498 26.050 -4.208 1.00 25.00 C ATOM 545 O THR A 38 14.916 25.445 -5.187 1.00 25.00 O ATOM 546 CB THR A 38 16.117 25.124 -2.586 1.00 25.00 C ATOM 547 OG1 THR A 38 16.362 23.785 -3.042 1.00 25.00 O ATOM 548 CG2 THR A 38 16.467 25.201 -1.103 1.00 25.00 C ATOM 0 H THR A 38 14.278 23.420 -2.972 1.00 25.00 H new ATOM 0 HA THR A 38 14.283 26.214 -2.108 1.00 25.00 H new ATOM 0 HB THR A 38 16.728 25.839 -3.137 1.00 25.00 H new ATOM 0 HG1 THR A 38 17.306 23.560 -2.905 1.00 25.00 H new ATOM 0 HG21 THR A 38 17.520 24.956 -0.965 1.00 25.00 H new ATOM 0 HG22 THR A 38 16.278 26.210 -0.736 1.00 25.00 H new ATOM 0 HG23 THR A 38 15.854 24.492 -0.547 1.00 25.00 H new ATOM 556 N GLY A 39 13.960 27.258 -4.288 1.00 25.00 N ATOM 557 CA GLY A 39 13.948 28.016 -5.539 1.00 25.00 C ATOM 558 C GLY A 39 12.978 27.604 -6.636 1.00 25.00 C ATOM 559 O GLY A 39 12.809 28.348 -7.599 1.00 25.00 O ATOM 0 H GLY A 39 13.524 27.739 -3.501 1.00 25.00 H new ATOM 0 HA2 GLY A 39 13.744 29.058 -5.292 1.00 25.00 H new ATOM 0 HA3 GLY A 39 14.954 27.979 -5.957 1.00 25.00 H new ATOM 563 N LEU A 40 12.346 26.446 -6.517 1.00 25.00 N ATOM 564 CA LEU A 40 11.423 25.968 -7.541 1.00 25.00 C ATOM 565 C LEU A 40 10.052 25.766 -6.921 1.00 25.00 C ATOM 566 O LEU A 40 9.958 25.490 -5.730 1.00 25.00 O ATOM 567 CB LEU A 40 11.911 24.629 -8.117 1.00 25.00 C ATOM 568 CG LEU A 40 13.298 24.556 -8.771 1.00 25.00 C ATOM 569 CD1 LEU A 40 13.569 23.107 -9.182 1.00 25.00 C ATOM 570 CD2 LEU A 40 13.414 25.461 -9.991 1.00 25.00 C ATOM 0 H LEU A 40 12.454 25.817 -5.721 1.00 25.00 H new ATOM 0 HA LEU A 40 11.372 26.705 -8.342 1.00 25.00 H new ATOM 0 HB2 LEU A 40 11.890 23.897 -7.309 1.00 25.00 H new ATOM 0 HB3 LEU A 40 11.181 24.305 -8.859 1.00 25.00 H new ATOM 0 HG LEU A 40 14.033 24.901 -8.044 1.00 25.00 H new ATOM 0 HD11 LEU A 40 14.552 23.039 -9.649 1.00 25.00 H new ATOM 0 HD12 LEU A 40 13.541 22.467 -8.300 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.808 22.781 -9.891 1.00 25.00 H new ATOM 0 HD21 LEU A 40 14.414 25.372 -10.416 1.00 25.00 H new ATOM 0 HD22 LEU A 40 12.675 25.164 -10.736 1.00 25.00 H new ATOM 0 HD23 LEU A 40 13.236 26.495 -9.695 1.00 25.00 H new ATOM 582 N VAL A 41 9.003 25.882 -7.721 1.00 25.00 N ATOM 583 CA VAL A 41 7.627 25.659 -7.259 1.00 25.00 C ATOM 584 C VAL A 41 6.887 24.835 -8.310 1.00 25.00 C ATOM 585 O VAL A 41 7.147 24.974 -9.497 1.00 25.00 O ATOM 586 CB VAL A 41 6.866 27.009 -7.017 1.00 25.00 C ATOM 587 CG1 VAL A 41 7.407 27.704 -5.762 1.00 25.00 C ATOM 588 CG2 VAL A 41 6.979 27.949 -8.235 1.00 25.00 C ATOM 0 H VAL A 41 9.073 26.132 -8.707 1.00 25.00 H new ATOM 0 HA VAL A 41 7.664 25.129 -6.307 1.00 25.00 H new ATOM 0 HB VAL A 41 5.811 26.775 -6.872 1.00 25.00 H new ATOM 0 HG11 VAL A 41 6.871 28.640 -5.605 1.00 25.00 H new ATOM 0 HG12 VAL A 41 7.266 27.055 -4.897 1.00 25.00 H new ATOM 0 HG13 VAL A 41 8.469 27.912 -5.890 1.00 25.00 H new ATOM 0 HG21 VAL A 41 6.440 28.874 -8.032 1.00 25.00 H new ATOM 0 HG22 VAL A 41 8.028 28.174 -8.424 1.00 25.00 H new ATOM 0 HG23 VAL A 41 6.548 27.463 -9.111 1.00 25.00 H new ATOM 598 N PHE A 42 6.000 23.948 -7.882 1.00 25.00 N ATOM 599 CA PHE A 42 5.258 23.096 -8.817 1.00 25.00 C ATOM 600 C PHE A 42 4.171 23.892 -9.535 1.00 25.00 C ATOM 601 O PHE A 42 3.320 24.514 -8.903 1.00 25.00 O ATOM 602 CB PHE A 42 4.629 21.910 -8.079 1.00 25.00 C ATOM 603 CG PHE A 42 3.665 21.111 -8.923 1.00 25.00 C ATOM 604 CD1 PHE A 42 4.054 20.630 -10.187 1.00 25.00 C ATOM 605 CD2 PHE A 42 2.364 20.840 -8.458 1.00 25.00 C ATOM 606 CE1 PHE A 42 3.152 19.891 -10.985 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.456 20.090 -9.238 1.00 25.00 C ATOM 608 CZ PHE A 42 1.851 19.613 -10.510 1.00 25.00 C ATOM 0 H PHE A 42 5.773 23.795 -6.899 1.00 25.00 H new ATOM 0 HA PHE A 42 5.963 22.721 -9.559 1.00 25.00 H new ATOM 0 HB2 PHE A 42 5.422 21.251 -7.727 1.00 25.00 H new ATOM 0 HB3 PHE A 42 4.106 22.279 -7.197 1.00 25.00 H new ATOM 0 HD1 PHE A 42 5.052 20.828 -10.551 1.00 25.00 H new ATOM 0 HD2 PHE A 42 2.056 21.211 -7.492 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.458 19.538 -11.959 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.464 19.882 -8.865 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.163 19.040 -11.114 1.00 25.00 H new ATOM 618 N SER A 43 4.181 23.822 -10.862 1.00 25.00 N ATOM 619 CA SER A 43 3.154 24.456 -11.679 1.00 25.00 C ATOM 620 C SER A 43 2.333 23.371 -12.365 1.00 25.00 C ATOM 621 O SER A 43 2.815 22.635 -13.238 1.00 25.00 O ATOM 622 CB SER A 43 3.782 25.384 -12.714 1.00 25.00 C ATOM 623 OG SER A 43 2.764 26.047 -13.440 1.00 25.00 O ATOM 0 H SER A 43 4.895 23.328 -11.397 1.00 25.00 H new ATOM 0 HA SER A 43 2.507 25.060 -11.042 1.00 25.00 H new ATOM 0 HB2 SER A 43 4.424 26.114 -12.220 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.413 24.812 -13.394 1.00 25.00 H new ATOM 0 HG SER A 43 2.506 25.502 -14.213 1.00 25.00 H new ATOM 629 N ASN A 44 1.082 23.258 -11.946 1.00 25.00 N ATOM 630 CA ASN A 44 0.193 22.209 -12.437 1.00 25.00 C ATOM 631 C ASN A 44 -0.093 22.328 -13.937 1.00 25.00 C ATOM 632 O ASN A 44 -0.466 21.355 -14.576 1.00 25.00 O ATOM 633 CB ASN A 44 -1.126 22.262 -11.663 1.00 25.00 C ATOM 634 CG ASN A 44 -1.624 20.889 -11.265 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.489 19.919 -11.995 1.00 25.00 O ATOM 636 ND2 ASN A 44 -2.202 20.806 -10.100 1.00 25.00 N ATOM 0 H ASN A 44 0.655 23.883 -11.263 1.00 25.00 H new ATOM 0 HA ASN A 44 0.698 21.256 -12.280 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -0.993 22.870 -10.768 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -1.882 22.755 -12.274 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -2.559 19.909 -9.771 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -2.297 21.638 -9.517 1.00 25.00 H new ATOM 643 N SER A 45 0.083 23.523 -14.491 1.00 25.00 N ATOM 644 CA SER A 45 -0.202 23.752 -15.907 1.00 25.00 C ATOM 645 C SER A 45 0.769 23.018 -16.823 1.00 25.00 C ATOM 646 O SER A 45 0.379 22.574 -17.889 1.00 25.00 O ATOM 647 CB SER A 45 -0.141 25.249 -16.214 1.00 25.00 C ATOM 648 OG SER A 45 1.112 25.783 -15.833 1.00 25.00 O ATOM 0 H SER A 45 0.419 24.344 -13.987 1.00 25.00 H new ATOM 0 HA SER A 45 -1.202 23.362 -16.098 1.00 25.00 H new ATOM 0 HB2 SER A 45 -0.305 25.415 -17.279 1.00 25.00 H new ATOM 0 HB3 SER A 45 -0.940 25.768 -15.684 1.00 25.00 H new ATOM 0 HG SER A 45 1.135 26.741 -16.038 1.00 25.00 H new ATOM 654 N CYS A 46 2.026 22.904 -16.413 1.00 25.00 N ATOM 655 CA CYS A 46 3.037 22.230 -17.241 1.00 25.00 C ATOM 656 C CYS A 46 3.357 20.838 -16.707 1.00 25.00 C ATOM 657 O CYS A 46 4.046 20.066 -17.366 1.00 25.00 O ATOM 658 CB CYS A 46 4.320 23.078 -17.330 1.00 25.00 C ATOM 659 SG CYS A 46 5.486 22.898 -15.932 1.00 25.00 S ATOM 0 H CYS A 46 2.374 23.263 -15.524 1.00 25.00 H new ATOM 0 HA CYS A 46 2.621 22.118 -18.242 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.842 22.819 -18.251 1.00 25.00 H new ATOM 0 HB3 CYS A 46 4.036 24.127 -17.410 1.00 25.00 H new ATOM 664 N LYS A 47 2.854 20.538 -15.510 1.00 25.00 N ATOM 665 CA LYS A 47 3.127 19.273 -14.794 1.00 25.00 C ATOM 666 C LYS A 47 4.611 19.153 -14.464 1.00 25.00 C ATOM 667 O LYS A 47 5.164 18.052 -14.414 1.00 25.00 O ATOM 668 CB LYS A 47 2.640 18.039 -15.593 1.00 25.00 C ATOM 669 CG LYS A 47 1.174 18.100 -16.026 1.00 25.00 C ATOM 670 CD LYS A 47 0.226 18.014 -14.844 1.00 25.00 C ATOM 671 CE LYS A 47 -1.203 18.147 -15.307 1.00 25.00 C ATOM 672 NZ LYS A 47 -2.122 18.105 -14.132 1.00 25.00 N ATOM 0 H LYS A 47 2.237 21.168 -14.997 1.00 25.00 H new ATOM 0 HA LYS A 47 2.563 19.297 -13.862 1.00 25.00 H new ATOM 0 HB2 LYS A 47 3.263 17.928 -16.480 1.00 25.00 H new ATOM 0 HB3 LYS A 47 2.789 17.147 -14.985 1.00 25.00 H new ATOM 0 HG2 LYS A 47 0.995 19.029 -16.567 1.00 25.00 H new ATOM 0 HG3 LYS A 47 0.966 17.283 -16.717 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.361 17.063 -14.329 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.457 18.801 -14.126 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.333 19.084 -15.849 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.447 17.342 -16.000 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -3.089 18.332 -14.440 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -2.106 17.153 -13.713 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -1.812 18.801 -13.424 1.00 25.00 H new ATOM 686 N CYS A 48 5.232 20.293 -14.188 1.00 25.00 N ATOM 687 CA CYS A 48 6.643 20.370 -13.813 1.00 25.00 C ATOM 688 C CYS A 48 6.824 21.454 -12.753 1.00 25.00 C ATOM 689 O CYS A 48 5.944 22.287 -12.565 1.00 25.00 O ATOM 690 CB CYS A 48 7.524 20.731 -15.022 1.00 25.00 C ATOM 691 SG CYS A 48 6.688 21.363 -16.518 1.00 25.00 S ATOM 0 H CYS A 48 4.768 21.201 -14.218 1.00 25.00 H new ATOM 0 HA CYS A 48 6.943 19.394 -13.432 1.00 25.00 H new ATOM 0 HB2 CYS A 48 8.247 21.480 -14.699 1.00 25.00 H new ATOM 0 HB3 CYS A 48 8.089 19.843 -15.303 1.00 25.00 H new ATOM 696 N CYS A 49 7.983 21.479 -12.102 1.00 25.00 N ATOM 697 CA CYS A 49 8.331 22.600 -11.238 1.00 25.00 C ATOM 698 C CYS A 49 8.985 23.652 -12.126 1.00 25.00 C ATOM 699 O CYS A 49 9.647 23.314 -13.105 1.00 25.00 O ATOM 700 CB CYS A 49 9.285 22.198 -10.096 1.00 25.00 C ATOM 701 SG CYS A 49 8.463 21.357 -8.693 1.00 25.00 S ATOM 0 H CYS A 49 8.689 20.745 -12.155 1.00 25.00 H new ATOM 0 HA CYS A 49 7.430 22.978 -10.754 1.00 25.00 H new ATOM 0 HB2 CYS A 49 10.057 21.541 -10.497 1.00 25.00 H new ATOM 0 HB3 CYS A 49 9.787 23.092 -9.726 1.00 25.00 H new ATOM 706 N THR A 50 8.775 24.912 -11.791 1.00 25.00 N ATOM 707 CA THR A 50 9.311 26.039 -12.549 1.00 25.00 C ATOM 708 C THR A 50 10.122 26.906 -11.604 1.00 25.00 C ATOM 709 O THR A 50 9.954 26.810 -10.384 1.00 25.00 O ATOM 710 CB THR A 50 8.167 26.889 -13.142 1.00 25.00 C ATOM 711 OG1 THR A 50 7.279 27.293 -12.094 1.00 25.00 O ATOM 712 CG2 THR A 50 7.361 26.091 -14.154 1.00 25.00 C ATOM 0 H THR A 50 8.224 25.189 -10.979 1.00 25.00 H new ATOM 0 HA THR A 50 9.928 25.662 -13.364 1.00 25.00 H new ATOM 0 HB THR A 50 8.613 27.754 -13.633 1.00 25.00 H new ATOM 0 HG1 THR A 50 6.554 27.834 -12.470 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.562 26.714 -14.556 1.00 25.00 H new ATOM 0 HG22 THR A 50 8.013 25.769 -14.966 1.00 25.00 H new ATOM 0 HG23 THR A 50 6.929 25.217 -13.667 1.00 25.00 H new ATOM 720 N TRP A 51 10.997 27.738 -12.140 1.00 25.00 N ATOM 721 CA TRP A 51 11.815 28.624 -11.312 1.00 25.00 C ATOM 722 C TRP A 51 10.893 29.661 -10.666 1.00 25.00 C ATOM 723 O TRP A 51 10.040 30.246 -11.334 1.00 25.00 O ATOM 724 CB TRP A 51 12.904 29.289 -12.158 1.00 25.00 C ATOM 725 CG TRP A 51 14.201 29.533 -11.416 1.00 25.00 C ATOM 726 CD1 TRP A 51 14.467 29.303 -10.104 1.00 25.00 C ATOM 727 CD2 TRP A 51 15.433 30.051 -11.964 1.00 25.00 C ATOM 728 NE1 TRP A 51 15.750 29.631 -9.782 1.00 25.00 N ATOM 729 CE2 TRP A 51 16.384 30.096 -10.900 1.00 25.00 C ATOM 730 CE3 TRP A 51 15.833 30.489 -13.245 1.00 25.00 C ATOM 731 CZ2 TRP A 51 17.706 30.565 -11.082 1.00 25.00 C ATOM 732 CZ3 TRP A 51 17.162 30.968 -13.434 1.00 25.00 C ATOM 733 CH2 TRP A 51 18.082 30.993 -12.346 1.00 25.00 C ATOM 0 H TRP A 51 11.164 27.823 -13.143 1.00 25.00 H new ATOM 0 HA TRP A 51 12.320 28.056 -10.531 1.00 25.00 H new ATOM 0 HB2 TRP A 51 13.107 28.663 -13.027 1.00 25.00 H new ATOM 0 HB3 TRP A 51 12.528 30.241 -12.532 1.00 25.00 H new ATOM 0 HD1 TRP A 51 13.749 28.908 -9.401 1.00 25.00 H new ATOM 0 HE1 TRP A 51 16.169 29.544 -8.856 1.00 25.00 H new ATOM 0 HE3 TRP A 51 15.140 30.461 -14.073 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 18.404 30.589 -10.258 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 17.474 31.314 -14.408 1.00 25.00 H new ATOM 0 HH2 TRP A 51 19.088 31.351 -12.509 1.00 25.00 H new ATOM 744 N ASN A 52 11.010 29.835 -9.359 1.00 25.00 N ATOM 745 CA ASN A 52 10.092 30.687 -8.620 1.00 25.00 C ATOM 746 C ASN A 52 10.436 32.176 -8.688 1.00 25.00 C ATOM 747 O ASN A 52 11.314 32.648 -7.976 1.00 25.00 O ATOM 748 CB ASN A 52 10.065 30.263 -7.155 1.00 25.00 C ATOM 749 CG ASN A 52 9.005 30.994 -6.371 1.00 25.00 C ATOM 750 OD1 ASN A 52 7.917 31.246 -6.858 1.00 25.00 O ATOM 751 ND2 ASN A 52 9.322 31.353 -5.156 1.00 25.00 N ATOM 0 H ASN A 52 11.733 29.397 -8.788 1.00 25.00 H new ATOM 0 HA ASN A 52 9.118 30.560 -9.093 1.00 25.00 H new ATOM 0 HB2 ASN A 52 9.886 29.190 -7.092 1.00 25.00 H new ATOM 0 HB3 ASN A 52 11.041 30.450 -6.706 1.00 25.00 H new ATOM 0 HD21 ASN A 52 8.649 31.861 -4.582 1.00 25.00 H new ATOM 0 HD22 ASN A 52 10.243 31.125 -4.781 1.00 25.00 H new ATOM 758 N GLY A 53 9.691 32.912 -9.503 1.00 25.00 N ATOM 759 CA GLY A 53 9.806 34.366 -9.527 1.00 25.00 C ATOM 760 C GLY A 53 10.956 34.910 -10.348 1.00 25.00 C ATOM 761 O GLY A 53 11.136 36.125 -10.442 1.00 25.00 O ATOM 0 H GLY A 53 9.004 32.530 -10.153 1.00 25.00 H new ATOM 0 HA2 GLY A 53 8.876 34.781 -9.915 1.00 25.00 H new ATOM 0 HA3 GLY A 53 9.912 34.723 -8.502 1.00 25.00 H new ATOM 765 N LEU A 54 11.752 34.033 -10.941 1.00 25.00 N ATOM 766 CA LEU A 54 12.885 34.474 -11.748 1.00 25.00 C ATOM 767 C LEU A 54 12.420 34.893 -13.127 1.00 25.00 C ATOM 768 O LEU A 54 11.376 34.456 -13.612 1.00 25.00 O ATOM 769 CB LEU A 54 13.936 33.362 -11.871 1.00 25.00 C ATOM 770 CG LEU A 54 15.257 33.592 -11.116 1.00 25.00 C ATOM 771 CD1 LEU A 54 16.002 34.847 -11.607 1.00 25.00 C ATOM 772 CD2 LEU A 54 15.023 33.676 -9.607 1.00 25.00 C ATOM 0 H LEU A 54 11.638 33.021 -10.881 1.00 25.00 H new ATOM 0 HA LEU A 54 13.340 35.329 -11.249 1.00 25.00 H new ATOM 0 HB2 LEU A 54 13.494 32.432 -11.514 1.00 25.00 H new ATOM 0 HB3 LEU A 54 14.165 33.221 -12.927 1.00 25.00 H new ATOM 0 HG LEU A 54 15.889 32.729 -11.328 1.00 25.00 H new ATOM 0 HD11 LEU A 54 16.927 34.965 -11.043 1.00 25.00 H new ATOM 0 HD12 LEU A 54 16.234 34.741 -12.667 1.00 25.00 H new ATOM 0 HD13 LEU A 54 15.373 35.725 -11.459 1.00 25.00 H new ATOM 0 HD21 LEU A 54 15.974 33.839 -9.100 1.00 25.00 H new ATOM 0 HD22 LEU A 54 14.349 34.504 -9.389 1.00 25.00 H new ATOM 0 HD23 LEU A 54 14.579 32.745 -9.255 1.00 25.00 H new ATOM 784 N VAL A 55 13.199 35.755 -13.759 1.00 25.00 N ATOM 785 CA VAL A 55 12.864 36.276 -15.077 1.00 25.00 C ATOM 786 C VAL A 55 13.375 35.266 -16.125 1.00 25.00 C ATOM 787 O VAL A 55 14.542 34.882 -16.088 1.00 25.00 O ATOM 788 CB VAL A 55 13.499 37.683 -15.285 1.00 25.00 C ATOM 789 CG1 VAL A 55 13.057 38.295 -16.615 1.00 25.00 C ATOM 790 CG2 VAL A 55 13.069 38.630 -14.130 1.00 25.00 C ATOM 0 H VAL A 55 14.075 36.112 -13.378 1.00 25.00 H new ATOM 0 HA VAL A 55 11.786 36.398 -15.180 1.00 25.00 H new ATOM 0 HB VAL A 55 14.583 37.565 -15.293 1.00 25.00 H new ATOM 0 HG11 VAL A 55 13.515 39.277 -16.734 1.00 25.00 H new ATOM 0 HG12 VAL A 55 13.368 37.648 -17.435 1.00 25.00 H new ATOM 0 HG13 VAL A 55 11.972 38.397 -16.626 1.00 25.00 H new ATOM 0 HG21 VAL A 55 13.516 39.613 -14.280 1.00 25.00 H new ATOM 0 HG22 VAL A 55 11.983 38.723 -14.121 1.00 25.00 H new ATOM 0 HG23 VAL A 55 13.406 38.220 -13.178 1.00 25.00 H new ATOM 800 N PRO A 56 12.496 34.795 -17.039 1.00 25.00 N ATOM 801 CA PRO A 56 12.892 33.784 -18.028 1.00 25.00 C ATOM 802 C PRO A 56 13.469 34.372 -19.325 1.00 25.00 C ATOM 803 O PRO A 56 13.511 33.700 -20.352 1.00 25.00 O ATOM 804 CB PRO A 56 11.563 33.089 -18.312 1.00 25.00 C ATOM 805 CG PRO A 56 10.584 34.199 -18.278 1.00 25.00 C ATOM 806 CD PRO A 56 11.068 35.134 -17.189 1.00 25.00 C ATOM 0 HA PRO A 56 13.690 33.142 -17.656 1.00 25.00 H new ATOM 0 HB2 PRO A 56 11.570 32.588 -19.280 1.00 25.00 H new ATOM 0 HB3 PRO A 56 11.337 32.331 -17.562 1.00 25.00 H new ATOM 0 HG2 PRO A 56 10.536 34.709 -19.240 1.00 25.00 H new ATOM 0 HG3 PRO A 56 9.581 33.831 -18.062 1.00 25.00 H new ATOM 0 HD2 PRO A 56 10.933 36.178 -17.470 1.00 25.00 H new ATOM 0 HD3 PRO A 56 10.521 34.981 -16.259 1.00 25.00 H new ATOM 814 N ARG A 57 13.848 35.641 -19.286 1.00 25.00 N ATOM 815 CA ARG A 57 14.367 36.346 -20.461 1.00 25.00 C ATOM 816 C ARG A 57 15.429 37.322 -20.006 1.00 25.00 C ATOM 817 O ARG A 57 16.030 38.012 -20.855 1.00 25.00 O ATOM 818 CB ARG A 57 13.247 37.116 -21.172 1.00 25.00 C ATOM 819 CG ARG A 57 12.630 38.229 -20.330 1.00 25.00 C ATOM 820 CD ARG A 57 11.998 39.292 -21.209 1.00 25.00 C ATOM 821 NE ARG A 57 11.769 40.535 -20.456 1.00 25.00 N ATOM 822 CZ ARG A 57 12.695 41.460 -20.212 1.00 25.00 C ATOM 823 NH1 ARG A 57 13.935 41.346 -20.616 1.00 25.00 N ATOM 824 NH2 ARG A 57 12.363 42.520 -19.536 1.00 25.00 N ATOM 825 OXT ARG A 57 15.530 37.481 -18.780 1.00 25.00 O ATOM 0 H ARG A 57 13.807 36.215 -18.444 1.00 25.00 H new ATOM 0 HA ARG A 57 14.784 35.619 -21.158 1.00 25.00 H new ATOM 0 HB2 ARG A 57 13.643 37.547 -22.092 1.00 25.00 H new ATOM 0 HB3 ARG A 57 12.464 36.415 -21.460 1.00 25.00 H new ATOM 0 HG2 ARG A 57 11.877 37.810 -19.663 1.00 25.00 H new ATOM 0 HG3 ARG A 57 13.397 38.681 -19.701 1.00 25.00 H new ATOM 0 HD2 ARG A 57 12.645 39.494 -22.063 1.00 25.00 H new ATOM 0 HD3 ARG A 57 11.052 38.924 -21.606 1.00 25.00 H new ATOM 0 HE ARG A 57 10.830 40.701 -20.094 1.00 25.00 H new ATOM 0 HH11 ARG A 57 14.226 40.522 -21.142 1.00 25.00 H new ATOM 0 HH12 ARG A 57 14.610 42.081 -20.405 1.00 25.00 H new ATOM 0 HH21 ARG A 57 11.406 42.633 -19.202 1.00 25.00 H new ATOM 0 HH22 ARG A 57 13.060 43.239 -19.340 1.00 25.00 H new TER 839 ARG A 57