USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 514 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 40 TYR OH : rot 30:sc= 0.431 USER MOD Set 1.2: A 71 GLN : amide:sc= -2.49! K(o=-2.1!,f=0.15) USER MOD Set 2.1: A 14 CYS SG : rot 145:sc= 0.354 USER MOD Set 2.2: A 23 CYS SG : rot -22:sc= 0.949 USER MOD Set 2.3: A 26 CYS SG : rot -179:sc= -3.11! USER MOD Set 3.1: A 9 MET CE :methyl -166:sc= -0.0096 (180deg=0) USER MOD Set 3.2: A 11 GLN : amide:sc= 0.469 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0261 (180deg=0) USER MOD Single : A 2 SER OG : rot 167:sc= 0.231 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.347 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.551 USER MOD Single : A 16 HIS : no HD1:sc= -0.0895 X(o=-0.09,f=-0.098) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0418 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0618 (180deg=-0.376) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.57 K(o=-0.57,f=-0.002) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 50:sc= -1.19 USER MOD Single : A 64 MET CE :methyl -164:sc= -0.0734 (180deg=-0.436) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.390 -10.062 -14.730 1.00100.00 N ATOM 2 CA GLY A 1 -11.613 -11.088 -14.011 1.00100.00 C ATOM 3 C GLY A 1 -10.561 -11.652 -14.906 1.00100.00 C ATOM 4 O GLY A 1 -10.763 -11.857 -16.105 1.00100.00 O ATOM 0 H1 GLY A 1 -13.400 -10.173 -14.508 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.073 -9.116 -14.436 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.246 -10.172 -15.754 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.152 -10.652 -13.124 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.275 -11.883 -13.668 1.00100.00 H new ATOM 10 N SER A 2 -9.387 -11.879 -14.279 1.00100.00 N ATOM 11 CA SER A 2 -8.243 -12.421 -14.956 1.00100.00 C ATOM 12 C SER A 2 -7.744 -13.597 -14.180 1.00100.00 C ATOM 13 O SER A 2 -7.940 -13.687 -12.962 1.00100.00 O ATOM 14 CB SER A 2 -7.087 -11.405 -15.130 1.00100.00 C ATOM 15 OG SER A 2 -6.627 -10.986 -13.864 1.00100.00 O ATOM 0 H SER A 2 -9.230 -11.684 -13.290 1.00100.00 H new ATOM 0 HA SER A 2 -8.566 -12.703 -15.958 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.271 -11.860 -15.691 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.429 -10.545 -15.706 1.00100.00 H new ATOM 0 HG SER A 2 -5.772 -10.518 -13.965 1.00100.00 H new ATOM 21 N THR A 3 -7.095 -14.542 -14.897 1.00100.00 N ATOM 22 CA THR A 3 -6.557 -15.721 -14.283 1.00100.00 C ATOM 23 C THR A 3 -5.205 -15.333 -13.756 1.00100.00 C ATOM 24 O THR A 3 -4.166 -15.501 -14.395 1.00100.00 O ATOM 25 CB THR A 3 -6.490 -16.907 -15.220 1.00100.00 C ATOM 26 OG1 THR A 3 -7.779 -17.176 -15.726 1.00100.00 O ATOM 27 CG2 THR A 3 -5.977 -18.141 -14.479 1.00100.00 C ATOM 0 H THR A 3 -6.944 -14.487 -15.904 1.00100.00 H new ATOM 0 HA THR A 3 -7.212 -16.062 -13.481 1.00100.00 H new ATOM 0 HB THR A 3 -5.808 -16.672 -16.037 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.738 -17.943 -16.335 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.934 -18.986 -15.166 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.980 -17.941 -14.087 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.651 -18.377 -13.655 1.00100.00 H new ATOM 35 N ALA A 4 -5.246 -14.736 -12.553 1.00100.00 N ATOM 36 CA ALA A 4 -4.094 -14.286 -11.842 1.00100.00 C ATOM 37 C ALA A 4 -4.028 -15.180 -10.654 1.00100.00 C ATOM 38 O ALA A 4 -5.056 -15.548 -10.073 1.00100.00 O ATOM 39 CB ALA A 4 -4.211 -12.835 -11.333 1.00100.00 C ATOM 0 H ALA A 4 -6.119 -14.560 -12.056 1.00100.00 H new ATOM 0 HA ALA A 4 -3.223 -14.312 -12.496 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.299 -12.561 -10.802 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.354 -12.163 -12.179 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.062 -12.754 -10.657 1.00100.00 H new ATOM 45 N MET A 5 -2.784 -15.556 -10.283 1.00100.00 N ATOM 46 CA MET A 5 -2.565 -16.423 -9.160 1.00100.00 C ATOM 47 C MET A 5 -3.040 -15.778 -7.890 1.00100.00 C ATOM 48 O MET A 5 -2.969 -14.555 -7.735 1.00100.00 O ATOM 49 CB MET A 5 -1.088 -16.863 -8.999 1.00100.00 C ATOM 50 CG MET A 5 -0.198 -15.732 -8.478 1.00100.00 C ATOM 51 SD MET A 5 -0.098 -14.268 -9.540 1.00100.00 S ATOM 52 CE MET A 5 0.997 -13.252 -8.516 1.00100.00 C ATOM 0 H MET A 5 -1.933 -15.260 -10.760 1.00100.00 H new ATOM 0 HA MET A 5 -3.146 -17.323 -9.361 1.00100.00 H new ATOM 0 HB2 MET A 5 -1.036 -17.709 -8.313 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.707 -17.208 -9.960 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.566 -15.425 -7.499 1.00100.00 H new ATOM 0 HG3 MET A 5 0.809 -16.123 -8.332 1.00100.00 H new ATOM 0 HE1 MET A 5 1.177 -12.298 -9.011 1.00100.00 H new ATOM 0 HE2 MET A 5 0.529 -13.076 -7.547 1.00100.00 H new ATOM 0 HE3 MET A 5 1.945 -13.770 -8.372 1.00100.00 H new ATOM 62 N ALA A 6 -3.870 -16.570 -7.172 1.00100.00 N ATOM 63 CA ALA A 6 -4.502 -16.233 -5.921 1.00100.00 C ATOM 64 C ALA A 6 -5.385 -15.006 -6.023 1.00100.00 C ATOM 65 O ALA A 6 -5.586 -14.287 -5.042 1.00100.00 O ATOM 66 CB ALA A 6 -3.487 -16.093 -4.760 1.00100.00 C ATOM 0 H ALA A 6 -4.116 -17.509 -7.487 1.00100.00 H new ATOM 0 HA ALA A 6 -5.150 -17.078 -5.686 1.00100.00 H new ATOM 0 HB1 ALA A 6 -4.017 -15.839 -3.842 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.958 -17.036 -4.624 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.771 -15.306 -4.996 1.00100.00 H new ATOM 72 N THR A 7 -5.944 -14.768 -7.243 1.00100.00 N ATOM 73 CA THR A 7 -6.822 -13.677 -7.594 1.00100.00 C ATOM 74 C THR A 7 -6.266 -12.319 -7.208 1.00100.00 C ATOM 75 O THR A 7 -6.973 -11.462 -6.673 1.00100.00 O ATOM 76 CB THR A 7 -8.261 -13.893 -7.155 1.00100.00 C ATOM 77 OG1 THR A 7 -8.334 -13.954 -5.748 1.00100.00 O ATOM 78 CG2 THR A 7 -8.805 -15.191 -7.750 1.00100.00 C ATOM 0 H THR A 7 -5.766 -15.384 -8.036 1.00100.00 H new ATOM 0 HA THR A 7 -6.861 -13.673 -8.683 1.00100.00 H new ATOM 0 HB THR A 7 -8.862 -13.056 -7.511 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.430 -13.911 -5.371 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.836 -15.335 -7.428 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.769 -15.136 -8.838 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.198 -16.030 -7.409 1.00100.00 H new ATOM 86 N THR A 8 -4.951 -12.115 -7.473 1.00100.00 N ATOM 87 CA THR A 8 -4.257 -10.882 -7.169 1.00100.00 C ATOM 88 C THR A 8 -4.712 -9.840 -8.159 1.00100.00 C ATOM 89 O THR A 8 -4.880 -10.125 -9.348 1.00100.00 O ATOM 90 CB THR A 8 -2.750 -11.061 -7.194 1.00100.00 C ATOM 91 OG1 THR A 8 -2.390 -12.054 -6.259 1.00100.00 O ATOM 92 CG2 THR A 8 -2.034 -9.758 -6.839 1.00100.00 C ATOM 0 H THR A 8 -4.356 -12.820 -7.908 1.00100.00 H new ATOM 0 HA THR A 8 -4.500 -10.562 -6.156 1.00100.00 H new ATOM 0 HB THR A 8 -2.453 -11.355 -8.201 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.530 -12.940 -6.653 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.956 -9.917 -6.865 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.305 -8.986 -7.559 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.330 -9.441 -5.839 1.00100.00 H new ATOM 100 N MET A 9 -4.940 -8.600 -7.659 1.00100.00 N ATOM 101 CA MET A 9 -5.389 -7.516 -8.488 1.00100.00 C ATOM 102 C MET A 9 -4.190 -7.014 -9.243 1.00100.00 C ATOM 103 O MET A 9 -3.087 -6.905 -8.704 1.00100.00 O ATOM 104 CB MET A 9 -6.025 -6.354 -7.700 1.00100.00 C ATOM 105 CG MET A 9 -6.837 -5.488 -8.660 1.00100.00 C ATOM 106 SD MET A 9 -8.272 -6.357 -9.349 1.00100.00 S ATOM 107 CE MET A 9 -8.860 -5.098 -10.509 1.00100.00 C ATOM 0 H MET A 9 -4.812 -8.352 -6.678 1.00100.00 H new ATOM 0 HA MET A 9 -6.173 -7.891 -9.146 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.667 -6.742 -6.909 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.250 -5.757 -7.218 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.176 -4.594 -8.137 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.194 -5.156 -9.475 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.867 -5.350 -10.840 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.873 -4.126 -10.016 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.194 -5.058 -11.371 1.00100.00 H new ATOM 117 N GLU A 10 -4.373 -6.887 -10.570 1.00100.00 N ATOM 118 CA GLU A 10 -3.357 -6.472 -11.498 1.00100.00 C ATOM 119 C GLU A 10 -2.790 -5.099 -11.335 1.00100.00 C ATOM 120 O GLU A 10 -1.568 -4.957 -11.435 1.00100.00 O ATOM 121 CB GLU A 10 -3.809 -6.619 -12.958 1.00100.00 C ATOM 122 CG GLU A 10 -4.231 -8.060 -13.244 1.00100.00 C ATOM 123 CD GLU A 10 -4.634 -8.248 -14.703 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.120 -7.260 -15.296 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.453 -9.381 -15.197 1.00100.00 O ATOM 0 H GLU A 10 -5.268 -7.081 -11.020 1.00100.00 H new ATOM 0 HA GLU A 10 -2.553 -7.163 -11.244 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.641 -5.944 -13.157 1.00100.00 H new ATOM 0 HB3 GLU A 10 -2.998 -6.332 -13.627 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.410 -8.735 -13.003 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.066 -8.330 -12.598 1.00100.00 H new ATOM 132 N GLN A 11 -3.632 -4.070 -11.055 1.00100.00 N ATOM 133 CA GLN A 11 -3.101 -2.728 -10.943 1.00100.00 C ATOM 134 C GLN A 11 -2.278 -2.514 -9.710 1.00100.00 C ATOM 135 O GLN A 11 -2.405 -3.214 -8.700 1.00100.00 O ATOM 136 CB GLN A 11 -4.087 -1.530 -11.045 1.00100.00 C ATOM 137 CG GLN A 11 -5.176 -1.607 -9.977 1.00100.00 C ATOM 138 CD GLN A 11 -6.447 -2.253 -10.506 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.392 -3.247 -11.225 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.599 -1.682 -10.146 1.00100.00 N ATOM 0 H GLN A 11 -4.638 -4.157 -10.911 1.00100.00 H new ATOM 0 HA GLN A 11 -2.498 -2.710 -11.851 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.537 -0.595 -10.938 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.546 -1.519 -12.034 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.808 -2.177 -9.124 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.402 -0.603 -9.617 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.594 -0.857 -9.547 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.484 -2.071 -10.470 1.00100.00 H new ATOM 149 N GLU A 12 -1.402 -1.492 -9.807 1.00100.00 N ATOM 150 CA GLU A 12 -0.500 -1.118 -8.761 1.00100.00 C ATOM 151 C GLU A 12 -1.232 -0.256 -7.759 1.00100.00 C ATOM 152 O GLU A 12 -1.260 0.972 -7.834 1.00100.00 O ATOM 153 CB GLU A 12 0.761 -0.420 -9.321 1.00100.00 C ATOM 154 CG GLU A 12 1.458 -1.236 -10.407 1.00100.00 C ATOM 155 CD GLU A 12 2.812 -0.634 -10.762 1.00100.00 C ATOM 156 OE1 GLU A 12 2.938 0.606 -10.652 1.00100.00 O ATOM 157 OE2 GLU A 12 3.703 -1.427 -11.135 1.00100.00 O1- ATOM 0 H GLU A 12 -1.321 -0.909 -10.640 1.00100.00 H new ATOM 0 HA GLU A 12 -0.147 -2.016 -8.254 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.482 0.552 -9.727 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.461 -0.236 -8.506 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.591 -2.263 -10.066 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.829 -1.275 -11.297 1.00100.00 H new ATOM 164 N ILE A 13 -1.866 -0.955 -6.789 1.00100.00 N ATOM 165 CA ILE A 13 -2.661 -0.374 -5.735 1.00100.00 C ATOM 166 C ILE A 13 -1.985 0.133 -4.488 1.00100.00 C ATOM 167 O ILE A 13 -2.650 0.816 -3.705 1.00100.00 O ATOM 168 CB ILE A 13 -3.855 -1.234 -5.318 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.467 -2.623 -4.797 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.758 -1.439 -6.530 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.822 -2.572 -3.413 1.00100.00 C ATOM 0 H ILE A 13 -1.823 -1.973 -6.736 1.00100.00 H new ATOM 0 HA ILE A 13 -2.975 0.526 -6.264 1.00100.00 H new ATOM 0 HB ILE A 13 -4.348 -0.700 -4.506 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.355 -3.253 -4.757 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.776 -3.090 -5.499 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.614 -2.051 -6.246 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.107 -0.472 -6.891 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.199 -1.941 -7.320 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.567 -3.582 -3.093 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.917 -1.966 -3.455 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.521 -2.131 -2.702 1.00100.00 H new ATOM 183 N CYS A 14 -0.678 -0.158 -4.264 1.00100.00 N ATOM 184 CA CYS A 14 0.016 0.300 -3.072 1.00100.00 C ATOM 185 C CYS A 14 0.076 1.799 -3.082 1.00100.00 C ATOM 186 O CYS A 14 0.151 2.437 -4.136 1.00100.00 O ATOM 187 CB CYS A 14 1.427 -0.286 -2.837 1.00100.00 C ATOM 188 SG CYS A 14 2.065 0.181 -1.207 1.00100.00 S ATOM 0 H CYS A 14 -0.101 -0.707 -4.901 1.00100.00 H new ATOM 0 HA CYS A 14 -0.573 -0.078 -2.236 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.391 -1.372 -2.919 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.106 0.070 -3.612 1.00100.00 H new ATOM 0 HG CYS A 14 2.780 -0.792 -0.726 1.00100.00 H new ATOM 193 N ALA A 15 0.031 2.375 -1.860 1.00100.00 N ATOM 194 CA ALA A 15 0.008 3.793 -1.608 1.00100.00 C ATOM 195 C ALA A 15 1.207 4.506 -2.151 1.00100.00 C ATOM 196 O ALA A 15 1.057 5.584 -2.730 1.00100.00 O ATOM 197 CB ALA A 15 -0.067 4.104 -0.105 1.00100.00 C ATOM 0 H ALA A 15 0.010 1.823 -1.002 1.00100.00 H new ATOM 0 HA ALA A 15 -0.886 4.149 -2.120 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.082 5.184 0.043 1.00100.00 H new ATOM 0 HB2 ALA A 15 -0.975 3.668 0.312 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.803 3.681 0.398 1.00100.00 H new ATOM 203 N HIS A 16 2.408 3.908 -1.984 1.00100.00 N ATOM 204 CA HIS A 16 3.637 4.480 -2.462 1.00100.00 C ATOM 205 C HIS A 16 3.676 4.617 -3.961 1.00100.00 C ATOM 206 O HIS A 16 4.141 5.661 -4.420 1.00100.00 O ATOM 207 CB HIS A 16 4.874 3.710 -2.002 1.00100.00 C ATOM 208 CG HIS A 16 5.126 3.798 -0.525 1.00100.00 C ATOM 209 ND1 HIS A 16 4.378 3.206 0.465 1.00100.00 N ATOM 210 CD2 HIS A 16 6.161 4.466 0.073 1.00100.00 C ATOM 211 CE1 HIS A 16 4.957 3.519 1.639 1.00100.00 C ATOM 212 NE2 HIS A 16 6.045 4.284 1.452 1.00100.00 N ATOM 0 H HIS A 16 2.527 3.013 -1.509 1.00100.00 H new ATOM 0 HA HIS A 16 3.661 5.475 -2.018 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.763 2.662 -2.281 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.746 4.091 -2.534 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.930 5.032 -0.432 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.595 3.197 2.604 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.663 4.657 2.173 1.00100.00 H new ATOM 219 N SER A 17 3.193 3.573 -4.718 1.00100.00 N ATOM 220 CA SER A 17 3.157 3.555 -6.176 1.00100.00 C ATOM 221 C SER A 17 2.945 2.177 -6.748 1.00100.00 C ATOM 222 O SER A 17 2.078 1.994 -7.598 1.00100.00 O ATOM 223 CB SER A 17 4.439 4.063 -6.904 1.00100.00 C ATOM 224 OG SER A 17 5.576 3.358 -6.454 1.00100.00 O ATOM 0 H SER A 17 2.819 2.721 -4.300 1.00100.00 H new ATOM 0 HA SER A 17 2.324 4.235 -6.357 1.00100.00 H new ATOM 0 HB2 SER A 17 4.327 3.935 -7.981 1.00100.00 H new ATOM 0 HB3 SER A 17 4.569 5.130 -6.721 1.00100.00 H new ATOM 0 HG SER A 17 6.372 3.688 -6.922 1.00100.00 H new ATOM 230 N MET A 18 3.717 1.179 -6.257 1.00100.00 N ATOM 231 CA MET A 18 3.694 -0.182 -6.748 1.00100.00 C ATOM 232 C MET A 18 2.581 -1.056 -6.240 1.00100.00 C ATOM 233 O MET A 18 1.526 -0.528 -5.906 1.00100.00 O ATOM 234 CB MET A 18 5.063 -0.864 -6.576 1.00100.00 C ATOM 235 CG MET A 18 6.205 -0.033 -7.148 1.00100.00 C ATOM 236 SD MET A 18 7.785 -0.914 -7.107 1.00100.00 S ATOM 237 CE MET A 18 8.830 0.336 -7.890 1.00100.00 C ATOM 0 H MET A 18 4.379 1.320 -5.494 1.00100.00 H new ATOM 0 HA MET A 18 3.472 -0.069 -7.809 1.00100.00 H new ATOM 0 HB2 MET A 18 5.245 -1.045 -5.517 1.00100.00 H new ATOM 0 HB3 MET A 18 5.045 -1.837 -7.067 1.00100.00 H new ATOM 0 HG2 MET A 18 5.971 0.241 -8.177 1.00100.00 H new ATOM 0 HG3 MET A 18 6.294 0.895 -6.583 1.00100.00 H new ATOM 0 HE1 MET A 18 9.854 -0.033 -7.953 1.00100.00 H new ATOM 0 HE2 MET A 18 8.458 0.545 -8.893 1.00100.00 H new ATOM 0 HE3 MET A 18 8.810 1.251 -7.297 1.00100.00 H new ATOM 247 N THR A 19 2.582 -2.337 -6.695 1.00100.00 N ATOM 248 CA THR A 19 1.603 -3.354 -6.365 1.00100.00 C ATOM 249 C THR A 19 1.812 -3.804 -4.925 1.00100.00 C ATOM 250 O THR A 19 2.843 -3.519 -4.314 1.00100.00 O ATOM 251 CB THR A 19 1.725 -4.532 -7.346 1.00100.00 C ATOM 252 OG1 THR A 19 1.560 -4.061 -8.661 1.00100.00 O ATOM 253 CG2 THR A 19 0.663 -5.606 -7.102 1.00100.00 C ATOM 0 H THR A 19 3.304 -2.682 -7.327 1.00100.00 H new ATOM 0 HA THR A 19 0.596 -2.947 -6.455 1.00100.00 H new ATOM 0 HB THR A 19 2.710 -4.973 -7.194 1.00100.00 H new ATOM 0 HG1 THR A 19 1.639 -4.809 -9.289 1.00100.00 H new ATOM 0 HG21 THR A 19 0.792 -6.415 -7.820 1.00100.00 H new ATOM 0 HG22 THR A 19 0.768 -5.998 -6.090 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.329 -5.170 -7.221 1.00100.00 H new ATOM 261 N PHE A 20 0.807 -4.509 -4.347 1.00100.00 N ATOM 262 CA PHE A 20 0.791 -5.056 -3.010 1.00100.00 C ATOM 263 C PHE A 20 1.945 -6.035 -2.890 1.00100.00 C ATOM 264 O PHE A 20 2.653 -6.053 -1.884 1.00100.00 O ATOM 265 CB PHE A 20 -0.567 -5.779 -2.825 1.00100.00 C ATOM 266 CG PHE A 20 -0.705 -6.423 -1.468 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.128 -5.660 -0.371 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.390 -7.779 -1.300 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.242 -6.255 0.892 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.503 -8.373 -0.037 1.00100.00 C ATOM 271 CZ PHE A 20 -0.930 -7.611 1.060 1.00100.00 C ATOM 0 H PHE A 20 -0.056 -4.711 -4.851 1.00100.00 H new ATOM 0 HA PHE A 20 0.901 -4.286 -2.246 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.377 -5.063 -2.967 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.676 -6.541 -3.597 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.366 -4.614 -0.499 1.00100.00 H new ATOM 0 HD2 PHE A 20 -0.060 -8.365 -2.145 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.571 -5.668 1.737 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.261 -9.418 0.092 1.00100.00 H new ATOM 0 HZ PHE A 20 -1.018 -8.069 2.034 1.00100.00 H new ATOM 281 N GLU A 21 2.149 -6.864 -3.933 1.00100.00 N ATOM 282 CA GLU A 21 3.205 -7.837 -4.046 1.00100.00 C ATOM 283 C GLU A 21 4.558 -7.149 -4.082 1.00100.00 C ATOM 284 O GLU A 21 5.518 -7.611 -3.469 1.00100.00 O ATOM 285 CB GLU A 21 2.980 -8.671 -5.320 1.00100.00 C ATOM 286 CG GLU A 21 3.981 -9.820 -5.415 1.00100.00 C ATOM 287 CD GLU A 21 3.667 -10.742 -6.591 1.00100.00 C ATOM 288 OE1 GLU A 21 2.718 -10.425 -7.340 1.00100.00 O ATOM 289 OE2 GLU A 21 4.385 -11.758 -6.716 1.00100.00 O1- ATOM 0 H GLU A 21 1.539 -6.857 -4.751 1.00100.00 H new ATOM 0 HA GLU A 21 3.192 -8.496 -3.178 1.00100.00 H new ATOM 0 HB2 GLU A 21 1.965 -9.069 -5.322 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.073 -8.031 -6.197 1.00100.00 H new ATOM 0 HG2 GLU A 21 4.988 -9.418 -5.526 1.00100.00 H new ATOM 0 HG3 GLU A 21 3.967 -10.393 -4.488 1.00100.00 H new ATOM 296 N GLU A 22 4.627 -5.994 -4.785 1.00100.00 N ATOM 297 CA GLU A 22 5.801 -5.176 -4.983 1.00100.00 C ATOM 298 C GLU A 22 5.945 -4.113 -3.918 1.00100.00 C ATOM 299 O GLU A 22 6.790 -3.220 -4.040 1.00100.00 O ATOM 300 CB GLU A 22 5.781 -4.496 -6.367 1.00100.00 C ATOM 301 CG GLU A 22 5.743 -5.524 -7.495 1.00100.00 C ATOM 302 CD GLU A 22 7.018 -6.354 -7.521 1.00100.00 C ATOM 303 OE1 GLU A 22 8.066 -5.767 -7.865 1.00100.00 O ATOM 304 OE2 GLU A 22 6.925 -7.558 -7.198 1.00100.00 O1- ATOM 0 H GLU A 22 3.806 -5.604 -5.248 1.00100.00 H new ATOM 0 HA GLU A 22 6.654 -5.851 -4.918 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.912 -3.842 -6.440 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.664 -3.866 -6.477 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.881 -6.179 -7.366 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.616 -5.016 -8.451 1.00100.00 H new ATOM 311 N CYS A 23 5.154 -4.211 -2.821 1.00100.00 N ATOM 312 CA CYS A 23 5.161 -3.274 -1.726 1.00100.00 C ATOM 313 C CYS A 23 6.512 -3.147 -1.056 1.00100.00 C ATOM 314 O CYS A 23 6.850 -2.005 -0.767 1.00100.00 O ATOM 315 CB CYS A 23 4.091 -3.563 -0.651 1.00100.00 C ATOM 316 SG CYS A 23 4.080 -2.225 0.569 1.00100.00 S ATOM 0 H CYS A 23 4.486 -4.971 -2.693 1.00100.00 H new ATOM 0 HA CYS A 23 4.916 -2.325 -2.203 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.109 -3.653 -1.116 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.301 -4.514 -0.161 1.00100.00 H new ATOM 0 HG CYS A 23 5.220 -1.600 0.538 1.00100.00 H new ATOM 322 N PRO A 24 7.341 -4.214 -0.779 1.00100.00 N ATOM 323 CA PRO A 24 8.642 -4.010 -0.178 1.00100.00 C ATOM 324 C PRO A 24 9.535 -3.124 -1.020 1.00100.00 C ATOM 325 O PRO A 24 10.320 -2.379 -0.434 1.00100.00 O ATOM 326 CB PRO A 24 9.207 -5.404 0.115 1.00100.00 C ATOM 327 CG PRO A 24 8.487 -6.274 -0.916 1.00100.00 C ATOM 328 CD PRO A 24 7.113 -5.617 -1.056 1.00100.00 C ATOM 0 HA PRO A 24 8.570 -3.453 0.756 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.289 -5.438 -0.010 1.00100.00 H new ATOM 0 HB3 PRO A 24 8.994 -5.723 1.135 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.020 -6.291 -1.866 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.403 -7.307 -0.579 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.706 -5.761 -2.057 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.396 -6.047 -0.356 1.00100.00 H new ATOM 336 N LYS A 25 9.423 -3.193 -2.372 1.00100.00 N ATOM 337 CA LYS A 25 10.188 -2.381 -3.291 1.00100.00 C ATOM 338 C LYS A 25 9.809 -0.929 -3.228 1.00100.00 C ATOM 339 O LYS A 25 10.624 -0.075 -3.579 1.00100.00 O ATOM 340 CB LYS A 25 10.135 -2.831 -4.760 1.00100.00 C ATOM 341 CG LYS A 25 10.637 -4.268 -4.888 1.00100.00 C ATOM 342 CD LYS A 25 10.760 -4.656 -6.361 1.00100.00 C ATOM 343 CE LYS A 25 11.841 -3.832 -7.062 1.00100.00 C ATOM 344 NZ LYS A 25 13.161 -4.046 -6.449 1.00100.00 N1+ ATOM 0 H LYS A 25 8.781 -3.833 -2.839 1.00100.00 H new ATOM 0 HA LYS A 25 11.211 -2.522 -2.943 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.113 -2.760 -5.133 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.745 -2.168 -5.374 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.605 -4.368 -4.396 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.951 -4.947 -4.382 1.00100.00 H new ATOM 0 HD2 LYS A 25 10.998 -5.717 -6.442 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.803 -4.505 -6.861 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.880 -4.103 -8.117 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.583 -2.774 -7.014 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.904 -3.733 -7.106 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.227 -3.499 -5.567 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.287 -5.057 -6.240 1.00100.00 H new ATOM 358 N CYS A 26 8.570 -0.623 -2.762 1.00100.00 N ATOM 359 CA CYS A 26 8.046 0.714 -2.618 1.00100.00 C ATOM 360 C CYS A 26 8.887 1.508 -1.653 1.00100.00 C ATOM 361 O CYS A 26 9.072 2.712 -1.845 1.00100.00 O ATOM 362 CB CYS A 26 6.596 0.728 -2.125 1.00100.00 C ATOM 363 SG CYS A 26 5.452 0.086 -3.363 1.00100.00 S ATOM 0 H CYS A 26 7.905 -1.341 -2.473 1.00100.00 H new ATOM 0 HA CYS A 26 8.075 1.163 -3.611 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.517 0.132 -1.216 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.312 1.747 -1.864 1.00100.00 H new ATOM 0 HG CYS A 26 4.238 0.138 -2.901 1.00100.00 H new ATOM 369 N SER A 27 9.406 0.838 -0.592 1.00100.00 N ATOM 370 CA SER A 27 10.248 1.422 0.426 1.00100.00 C ATOM 371 C SER A 27 11.511 1.964 -0.181 1.00100.00 C ATOM 372 O SER A 27 11.998 3.003 0.270 1.00100.00 O ATOM 373 CB SER A 27 10.633 0.415 1.514 1.00100.00 C ATOM 374 OG SER A 27 9.469 -0.085 2.130 1.00100.00 O ATOM 0 H SER A 27 9.230 -0.155 -0.438 1.00100.00 H new ATOM 0 HA SER A 27 9.666 2.223 0.881 1.00100.00 H new ATOM 0 HB2 SER A 27 11.206 -0.404 1.079 1.00100.00 H new ATOM 0 HB3 SER A 27 11.272 0.893 2.256 1.00100.00 H new ATOM 0 HG SER A 27 9.718 -0.730 2.824 1.00100.00 H new ATOM 380 N ALA A 28 12.078 1.245 -1.186 1.00100.00 N ATOM 381 CA ALA A 28 13.263 1.665 -1.890 1.00100.00 C ATOM 382 C ALA A 28 12.888 2.890 -2.678 1.00100.00 C ATOM 383 O ALA A 28 11.807 2.962 -3.267 1.00100.00 O ATOM 384 CB ALA A 28 13.810 0.609 -2.862 1.00100.00 C ATOM 0 H ALA A 28 11.703 0.355 -1.513 1.00100.00 H new ATOM 0 HA ALA A 28 14.049 1.846 -1.156 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.702 0.996 -3.355 1.00100.00 H new ATOM 0 HB2 ALA A 28 14.064 -0.296 -2.311 1.00100.00 H new ATOM 0 HB3 ALA A 28 13.053 0.377 -3.611 1.00100.00 H new ATOM 390 N LEU A 29 13.790 3.880 -2.697 1.00100.00 N ATOM 391 CA LEU A 29 13.578 5.130 -3.368 1.00100.00 C ATOM 392 C LEU A 29 14.124 5.190 -4.763 1.00100.00 C ATOM 393 O LEU A 29 14.154 6.273 -5.356 1.00100.00 O ATOM 394 CB LEU A 29 14.166 6.308 -2.569 1.00100.00 C ATOM 395 CG LEU A 29 13.112 6.942 -1.658 1.00100.00 C ATOM 396 CD1 LEU A 29 12.674 5.989 -0.550 1.00100.00 C ATOM 397 CD2 LEU A 29 13.674 8.224 -1.045 1.00100.00 C ATOM 0 H LEU A 29 14.696 3.815 -2.233 1.00100.00 H new ATOM 0 HA LEU A 29 12.493 5.211 -3.436 1.00100.00 H new ATOM 0 HB2 LEU A 29 15.007 5.960 -1.969 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.555 7.059 -3.257 1.00100.00 H new ATOM 0 HG LEU A 29 12.235 7.170 -2.264 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.926 6.477 0.075 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.247 5.089 -0.992 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.536 5.720 0.060 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.924 8.676 -0.396 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.564 7.989 -0.462 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.935 8.923 -1.839 1.00100.00 H new ATOM 409 N GLN A 30 14.460 4.020 -5.353 1.00100.00 N ATOM 410 CA GLN A 30 15.023 3.869 -6.674 1.00100.00 C ATOM 411 C GLN A 30 14.087 4.416 -7.718 1.00100.00 C ATOM 412 O GLN A 30 14.517 5.128 -8.625 1.00100.00 O ATOM 413 CB GLN A 30 15.233 2.378 -6.992 1.00100.00 C ATOM 414 CG GLN A 30 16.215 1.758 -5.998 1.00100.00 C ATOM 415 CD GLN A 30 16.388 0.264 -6.246 1.00100.00 C ATOM 416 OE1 GLN A 30 15.481 -0.398 -6.746 1.00100.00 O ATOM 417 NE2 GLN A 30 17.559 -0.267 -5.890 1.00100.00 N ATOM 0 H GLN A 30 14.332 3.125 -4.881 1.00100.00 H new ATOM 0 HA GLN A 30 15.969 4.410 -6.690 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.279 1.852 -6.948 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.613 2.265 -8.007 1.00100.00 H new ATOM 0 HG2 GLN A 30 17.181 2.256 -6.080 1.00100.00 H new ATOM 0 HG3 GLN A 30 15.857 1.921 -4.981 1.00100.00 H new ATOM 0 HE21 GLN A 30 18.282 0.323 -5.478 1.00100.00 H new ATOM 0 HE22 GLN A 30 17.731 -1.263 -6.029 1.00100.00 H new ATOM 426 N TYR A 31 12.778 4.110 -7.571 1.00100.00 N ATOM 427 CA TYR A 31 11.711 4.520 -8.447 1.00100.00 C ATOM 428 C TYR A 31 11.570 6.023 -8.426 1.00100.00 C ATOM 429 O TYR A 31 11.308 6.615 -9.471 1.00100.00 O ATOM 430 CB TYR A 31 10.374 3.838 -8.049 1.00100.00 C ATOM 431 CG TYR A 31 9.226 4.155 -8.976 1.00100.00 C ATOM 432 CD1 TYR A 31 9.154 3.542 -10.235 1.00100.00 C ATOM 433 CD2 TYR A 31 8.228 5.052 -8.571 1.00100.00 C ATOM 434 CE1 TYR A 31 8.083 3.822 -11.093 1.00100.00 C ATOM 435 CE2 TYR A 31 7.153 5.339 -9.423 1.00100.00 C ATOM 436 CZ TYR A 31 7.076 4.723 -10.689 1.00100.00 C ATOM 437 OH TYR A 31 6.030 4.996 -11.520 1.00100.00 O ATOM 0 H TYR A 31 12.444 3.541 -6.793 1.00100.00 H new ATOM 0 HA TYR A 31 11.958 4.206 -9.461 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.521 2.758 -8.025 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.107 4.146 -7.038 1.00100.00 H new ATOM 0 HD1 TYR A 31 9.926 2.853 -10.544 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.288 5.523 -7.601 1.00100.00 H new ATOM 0 HE1 TYR A 31 8.028 3.349 -12.062 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.385 6.031 -9.110 1.00100.00 H new ATOM 0 HH TYR A 31 5.427 5.635 -11.087 1.00100.00 H new ATOM 447 N ARG A 32 11.731 6.653 -7.230 1.00100.00 N ATOM 448 CA ARG A 32 11.620 8.081 -7.044 1.00100.00 C ATOM 449 C ARG A 32 12.645 8.825 -7.836 1.00100.00 C ATOM 450 O ARG A 32 12.331 9.846 -8.450 1.00100.00 O ATOM 451 CB ARG A 32 11.692 8.564 -5.580 1.00100.00 C ATOM 452 CG ARG A 32 10.589 7.915 -4.746 1.00100.00 C ATOM 453 CD ARG A 32 10.369 8.699 -3.452 1.00100.00 C ATOM 454 NE ARG A 32 9.361 8.034 -2.621 1.00100.00 N ATOM 455 CZ ARG A 32 9.244 8.200 -1.296 1.00100.00 C ATOM 456 NH1 ARG A 32 10.073 9.019 -0.635 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 8.291 7.537 -0.628 1.00100.00 N ATOM 0 H ARG A 32 11.945 6.151 -6.368 1.00100.00 H new ATOM 0 HA ARG A 32 10.615 8.302 -7.404 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.667 8.319 -5.158 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.592 9.649 -5.544 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.663 7.880 -5.320 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.858 6.885 -4.513 1.00100.00 H new ATOM 0 HD2 ARG A 32 11.307 8.780 -2.903 1.00100.00 H new ATOM 0 HD3 ARG A 32 10.047 9.714 -3.684 1.00100.00 H new ATOM 0 HE ARG A 32 8.705 7.403 -3.082 1.00100.00 H new ATOM 0 HH11 ARG A 32 10.802 9.523 -1.140 1.00100.00 H new ATOM 0 HH12 ARG A 32 9.975 9.138 0.373 1.00100.00 H new ATOM 0 HH21 ARG A 32 7.660 6.910 -1.128 1.00100.00 H new ATOM 0 HH22 ARG A 32 8.196 7.659 0.380 1.00100.00 H new ATOM 471 N ASN A 33 13.888 8.299 -7.854 1.00100.00 N ATOM 472 CA ASN A 33 14.988 8.875 -8.589 1.00100.00 C ATOM 473 C ASN A 33 14.682 8.773 -10.059 1.00100.00 C ATOM 474 O ASN A 33 14.031 7.827 -10.514 1.00100.00 O ATOM 475 CB ASN A 33 16.325 8.138 -8.356 1.00100.00 C ATOM 476 CG ASN A 33 16.706 8.176 -6.881 1.00100.00 C ATOM 477 OD1 ASN A 33 16.837 9.251 -6.300 1.00100.00 O ATOM 478 ND2 ASN A 33 16.881 7.000 -6.275 1.00100.00 N ATOM 0 H ASN A 33 14.139 7.451 -7.345 1.00100.00 H new ATOM 0 HA ASN A 33 15.097 9.903 -8.244 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.240 7.104 -8.689 1.00100.00 H new ATOM 0 HB3 ASN A 33 17.111 8.601 -8.953 1.00100.00 H new ATOM 0 HD21 ASN A 33 17.135 6.968 -5.288 1.00100.00 H new ATOM 0 HD22 ASN A 33 16.761 6.133 -6.799 1.00100.00 H new ATOM 485 N GLY A 34 15.160 9.765 -10.837 1.00100.00 N ATOM 486 CA GLY A 34 14.928 9.802 -12.257 1.00100.00 C ATOM 487 C GLY A 34 13.771 10.679 -12.646 1.00100.00 C ATOM 488 O GLY A 34 13.545 10.858 -13.843 1.00100.00 O ATOM 0 H GLY A 34 15.711 10.547 -10.483 1.00100.00 H new ATOM 0 HA2 GLY A 34 15.829 10.158 -12.757 1.00100.00 H new ATOM 0 HA3 GLY A 34 14.744 8.789 -12.615 1.00100.00 H new ATOM 492 N PHE A 35 12.995 11.212 -11.666 1.00100.00 N ATOM 493 CA PHE A 35 11.899 12.115 -11.929 1.00100.00 C ATOM 494 C PHE A 35 12.426 13.517 -11.959 1.00100.00 C ATOM 495 O PHE A 35 13.266 13.901 -11.142 1.00100.00 O ATOM 496 CB PHE A 35 10.720 12.056 -10.935 1.00100.00 C ATOM 497 CG PHE A 35 9.767 10.903 -11.160 1.00100.00 C ATOM 498 CD1 PHE A 35 10.071 9.613 -10.698 1.00100.00 C ATOM 499 CD2 PHE A 35 8.554 11.135 -11.821 1.00100.00 C ATOM 500 CE1 PHE A 35 9.157 8.567 -10.881 1.00100.00 C ATOM 501 CE2 PHE A 35 7.644 10.086 -12.014 1.00100.00 C ATOM 502 CZ PHE A 35 7.944 8.803 -11.540 1.00100.00 C ATOM 0 H PHE A 35 13.132 11.012 -10.675 1.00100.00 H new ATOM 0 HA PHE A 35 11.488 11.792 -12.885 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.118 11.990 -9.922 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.162 12.990 -10.997 1.00100.00 H new ATOM 0 HD1 PHE A 35 11.011 9.426 -10.201 1.00100.00 H new ATOM 0 HD2 PHE A 35 8.319 12.125 -12.183 1.00100.00 H new ATOM 0 HE1 PHE A 35 9.388 7.578 -10.514 1.00100.00 H new ATOM 0 HE2 PHE A 35 6.712 10.267 -12.528 1.00100.00 H new ATOM 0 HZ PHE A 35 7.240 7.996 -11.683 1.00100.00 H new ATOM 512 N TYR A 36 11.927 14.300 -12.943 1.00100.00 N ATOM 513 CA TYR A 36 12.321 15.662 -13.182 1.00100.00 C ATOM 514 C TYR A 36 12.042 16.580 -12.022 1.00100.00 C ATOM 515 O TYR A 36 12.954 17.304 -11.609 1.00100.00 O ATOM 516 CB TYR A 36 11.644 16.143 -14.499 1.00100.00 C ATOM 517 CG TYR A 36 11.862 17.607 -14.800 1.00100.00 C ATOM 518 CD1 TYR A 36 13.164 18.111 -14.932 1.00100.00 C ATOM 519 CD2 TYR A 36 10.760 18.461 -14.941 1.00100.00 C ATOM 520 CE1 TYR A 36 13.368 19.469 -15.210 1.00100.00 C ATOM 521 CE2 TYR A 36 10.954 19.822 -15.218 1.00100.00 C ATOM 522 CZ TYR A 36 12.260 20.330 -15.356 1.00100.00 C ATOM 523 OH TYR A 36 12.452 21.654 -15.624 1.00100.00 O ATOM 0 H TYR A 36 11.219 13.969 -13.599 1.00100.00 H new ATOM 0 HA TYR A 36 13.405 15.697 -13.292 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.027 15.550 -15.330 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.573 15.951 -14.437 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.011 17.451 -14.819 1.00100.00 H new ATOM 0 HD2 TYR A 36 9.759 18.070 -14.836 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.371 19.856 -15.312 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.104 20.479 -15.325 1.00100.00 H new ATOM 0 HH TYR A 36 11.584 22.103 -15.695 1.00100.00 H new ATOM 533 N LEU A 37 10.816 16.547 -11.451 1.00100.00 N ATOM 534 CA LEU A 37 10.501 17.384 -10.324 1.00100.00 C ATOM 535 C LEU A 37 9.894 16.582 -9.237 1.00100.00 C ATOM 536 O LEU A 37 8.897 15.884 -9.444 1.00100.00 O ATOM 537 CB LEU A 37 9.537 18.561 -10.606 1.00100.00 C ATOM 538 CG LEU A 37 10.130 19.590 -11.570 1.00100.00 C ATOM 539 CD1 LEU A 37 9.054 20.613 -11.931 1.00100.00 C ATOM 540 CD2 LEU A 37 11.311 20.321 -10.930 1.00100.00 C ATOM 0 H LEU A 37 10.052 15.949 -11.765 1.00100.00 H new ATOM 0 HA LEU A 37 11.465 17.813 -10.050 1.00100.00 H new ATOM 0 HB2 LEU A 37 8.607 18.173 -11.022 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.285 19.052 -9.666 1.00100.00 H new ATOM 0 HG LEU A 37 10.481 19.069 -12.461 1.00100.00 H new ATOM 0 HD11 LEU A 37 9.469 21.350 -12.618 1.00100.00 H new ATOM 0 HD12 LEU A 37 8.215 20.106 -12.407 1.00100.00 H new ATOM 0 HD13 LEU A 37 8.710 21.114 -11.026 1.00100.00 H new ATOM 0 HD21 LEU A 37 11.715 21.047 -11.635 1.00100.00 H new ATOM 0 HD22 LEU A 37 10.975 20.837 -10.030 1.00100.00 H new ATOM 0 HD23 LEU A 37 12.086 19.601 -10.667 1.00100.00 H new ATOM 552 N LEU A 38 10.510 16.686 -8.042 1.00100.00 N ATOM 553 CA LEU A 38 10.075 16.021 -6.841 1.00100.00 C ATOM 554 C LEU A 38 8.750 16.580 -6.409 1.00100.00 C ATOM 555 O LEU A 38 7.863 15.843 -5.985 1.00100.00 O ATOM 556 CB LEU A 38 11.051 16.182 -5.662 1.00100.00 C ATOM 557 CG LEU A 38 12.441 15.597 -5.924 1.00100.00 C ATOM 558 CD1 LEU A 38 13.297 15.810 -4.675 1.00100.00 C ATOM 559 CD2 LEU A 38 12.372 14.099 -6.225 1.00100.00 C ATOM 0 H LEU A 38 11.345 17.255 -7.904 1.00100.00 H new ATOM 0 HA LEU A 38 10.014 14.961 -7.089 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.152 17.242 -5.428 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.625 15.701 -4.782 1.00100.00 H new ATOM 0 HG LEU A 38 12.872 16.099 -6.791 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.293 15.399 -4.842 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.375 16.877 -4.465 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.834 15.306 -3.826 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.377 13.718 -6.406 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.933 13.577 -5.375 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.757 13.934 -7.109 1.00100.00 H new ATOM 571 N LYS A 39 8.606 17.916 -6.552 1.00100.00 N ATOM 572 CA LYS A 39 7.450 18.695 -6.197 1.00100.00 C ATOM 573 C LYS A 39 6.208 18.343 -6.962 1.00100.00 C ATOM 574 O LYS A 39 5.116 18.620 -6.460 1.00100.00 O ATOM 575 CB LYS A 39 7.674 20.206 -6.413 1.00100.00 C ATOM 576 CG LYS A 39 8.794 20.750 -5.529 1.00100.00 C ATOM 577 CD LYS A 39 8.908 22.254 -5.770 1.00100.00 C ATOM 578 CE LYS A 39 9.993 22.850 -4.879 1.00100.00 C ATOM 579 NZ LYS A 39 10.108 24.301 -5.093 1.00100.00 N1+ ATOM 0 H LYS A 39 9.351 18.492 -6.944 1.00100.00 H new ATOM 0 HA LYS A 39 7.308 18.456 -5.143 1.00100.00 H new ATOM 0 HB2 LYS A 39 7.916 20.391 -7.460 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.750 20.744 -6.200 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.581 20.549 -4.479 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.737 20.255 -5.763 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.142 22.445 -6.817 1.00100.00 H new ATOM 0 HD3 LYS A 39 7.952 22.736 -5.564 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.761 22.650 -3.833 1.00100.00 H new ATOM 0 HE3 LYS A 39 10.948 22.370 -5.091 1.00100.00 H new ATOM 0 HZ1 LYS A 39 10.852 24.685 -4.476 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.352 24.487 -6.087 1.00100.00 H new ATOM 0 HZ3 LYS A 39 9.201 24.758 -4.867 1.00100.00 H new ATOM 593 N TYR A 40 6.336 17.734 -8.178 1.00100.00 N ATOM 594 CA TYR A 40 5.198 17.384 -8.999 1.00100.00 C ATOM 595 C TYR A 40 4.342 16.407 -8.232 1.00100.00 C ATOM 596 O TYR A 40 4.827 15.394 -7.724 1.00100.00 O ATOM 597 CB TYR A 40 5.622 16.795 -10.371 1.00100.00 C ATOM 598 CG TYR A 40 4.438 16.456 -11.239 1.00100.00 C ATOM 599 CD1 TYR A 40 3.786 17.474 -11.945 1.00100.00 C ATOM 600 CD2 TYR A 40 3.977 15.135 -11.311 1.00100.00 C ATOM 601 CE1 TYR A 40 2.668 17.174 -12.732 1.00100.00 C ATOM 602 CE2 TYR A 40 2.863 14.823 -12.103 1.00100.00 C ATOM 603 CZ TYR A 40 2.205 15.845 -12.818 1.00100.00 C ATOM 604 OH TYR A 40 1.122 15.552 -13.593 1.00100.00 O ATOM 0 H TYR A 40 7.235 17.485 -8.590 1.00100.00 H new ATOM 0 HA TYR A 40 4.631 18.288 -9.220 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.257 17.512 -10.891 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.220 15.898 -10.210 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.146 18.490 -11.882 1.00100.00 H new ATOM 0 HD2 TYR A 40 4.480 14.357 -10.756 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.161 17.959 -13.273 1.00100.00 H new ATOM 0 HE2 TYR A 40 2.510 13.804 -12.165 1.00100.00 H new ATOM 0 HH TYR A 40 1.078 16.180 -14.344 1.00100.00 H new ATOM 614 N ASP A 41 3.030 16.728 -8.168 1.00100.00 N ATOM 615 CA ASP A 41 2.077 15.945 -7.435 1.00100.00 C ATOM 616 C ASP A 41 1.496 14.805 -8.195 1.00100.00 C ATOM 617 O ASP A 41 0.976 14.949 -9.304 1.00100.00 O ATOM 618 CB ASP A 41 0.917 16.771 -6.837 1.00100.00 C ATOM 619 CG ASP A 41 1.445 17.804 -5.849 1.00100.00 C ATOM 620 OD1 ASP A 41 2.221 17.394 -4.958 1.00100.00 O ATOM 621 OD2 ASP A 41 1.063 18.984 -6.002 1.00100.00 O1- ATOM 0 H ASP A 41 2.627 17.542 -8.632 1.00100.00 H new ATOM 0 HA ASP A 41 2.686 15.544 -6.625 1.00100.00 H new ATOM 0 HB2 ASP A 41 0.370 17.271 -7.636 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.212 16.108 -6.335 1.00100.00 H new ATOM 626 N GLU A 42 1.624 13.625 -7.563 1.00100.00 N ATOM 627 CA GLU A 42 1.151 12.351 -8.033 1.00100.00 C ATOM 628 C GLU A 42 0.996 11.423 -6.841 1.00100.00 C ATOM 629 O GLU A 42 1.090 11.873 -5.696 1.00100.00 O ATOM 630 CB GLU A 42 1.997 11.763 -9.197 1.00100.00 C ATOM 631 CG GLU A 42 3.355 11.279 -8.739 1.00100.00 C ATOM 632 CD GLU A 42 4.224 10.929 -9.937 1.00100.00 C ATOM 633 OE1 GLU A 42 4.555 11.869 -10.691 1.00100.00 O ATOM 634 OE2 GLU A 42 4.539 9.727 -10.079 1.00100.00 O1- ATOM 0 H GLU A 42 2.091 13.552 -6.659 1.00100.00 H new ATOM 0 HA GLU A 42 0.172 12.482 -8.494 1.00100.00 H new ATOM 0 HB2 GLU A 42 1.455 10.935 -9.654 1.00100.00 H new ATOM 0 HB3 GLU A 42 2.127 12.523 -9.968 1.00100.00 H new ATOM 0 HG2 GLU A 42 3.841 12.051 -8.142 1.00100.00 H new ATOM 0 HG3 GLU A 42 3.240 10.405 -8.098 1.00100.00 H new ATOM 641 N GLU A 43 0.698 10.118 -7.078 1.00100.00 N ATOM 642 CA GLU A 43 0.521 9.114 -6.035 1.00100.00 C ATOM 643 C GLU A 43 1.776 8.940 -5.209 1.00100.00 C ATOM 644 O GLU A 43 1.720 8.827 -3.985 1.00100.00 O ATOM 645 CB GLU A 43 0.156 7.715 -6.574 1.00100.00 C ATOM 646 CG GLU A 43 -1.152 7.753 -7.360 1.00100.00 C ATOM 647 CD GLU A 43 -1.523 6.356 -7.843 1.00100.00 C ATOM 648 OE1 GLU A 43 -0.725 5.793 -8.623 1.00100.00 O ATOM 649 OE2 GLU A 43 -2.596 5.873 -7.419 1.00100.00 O1- ATOM 0 H GLU A 43 0.575 9.745 -8.019 1.00100.00 H new ATOM 0 HA GLU A 43 -0.304 9.499 -5.436 1.00100.00 H new ATOM 0 HB2 GLU A 43 0.958 7.348 -7.214 1.00100.00 H new ATOM 0 HB3 GLU A 43 0.065 7.014 -5.744 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.949 8.151 -6.732 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.052 8.425 -8.213 1.00100.00 H new ATOM 656 N TRP A 44 2.929 8.957 -5.908 1.00100.00 N ATOM 657 CA TRP A 44 4.296 8.851 -5.461 1.00100.00 C ATOM 658 C TRP A 44 4.509 9.981 -4.469 1.00100.00 C ATOM 659 O TRP A 44 4.058 11.102 -4.713 1.00100.00 O ATOM 660 CB TRP A 44 5.036 9.129 -6.761 1.00100.00 C ATOM 661 CG TRP A 44 6.494 9.206 -6.816 1.00100.00 C ATOM 662 CD1 TRP A 44 7.318 8.190 -7.123 1.00100.00 C ATOM 663 CD2 TRP A 44 7.276 10.422 -6.844 1.00100.00 C ATOM 664 NE1 TRP A 44 8.562 8.709 -7.368 1.00100.00 N ATOM 665 CE2 TRP A 44 8.598 10.080 -7.210 1.00100.00 C ATOM 666 CE3 TRP A 44 6.970 11.780 -6.670 1.00100.00 C ATOM 667 CZ2 TRP A 44 9.586 11.052 -7.370 1.00100.00 C ATOM 668 CZ3 TRP A 44 7.950 12.761 -6.856 1.00100.00 C ATOM 669 CH2 TRP A 44 9.257 12.397 -7.199 1.00100.00 C ATOM 0 H TRP A 44 2.897 9.059 -6.922 1.00100.00 H new ATOM 0 HA TRP A 44 4.596 7.918 -4.984 1.00100.00 H new ATOM 0 HB2 TRP A 44 4.734 8.355 -7.467 1.00100.00 H new ATOM 0 HB3 TRP A 44 4.656 10.076 -7.144 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.047 7.146 -7.169 1.00100.00 H new ATOM 0 HE1 TRP A 44 9.369 8.147 -7.637 1.00100.00 H new ATOM 0 HE3 TRP A 44 5.968 12.071 -6.390 1.00100.00 H new ATOM 0 HZ2 TRP A 44 10.596 10.766 -7.624 1.00100.00 H new ATOM 0 HZ3 TRP A 44 7.697 13.804 -6.734 1.00100.00 H new ATOM 0 HH2 TRP A 44 10.012 13.158 -7.331 1.00100.00 H new ATOM 680 N TYR A 45 5.201 9.708 -3.332 1.00100.00 N ATOM 681 CA TYR A 45 5.407 10.711 -2.307 1.00100.00 C ATOM 682 C TYR A 45 6.523 11.663 -2.657 1.00100.00 C ATOM 683 O TYR A 45 7.661 11.225 -2.849 1.00100.00 O ATOM 684 CB TYR A 45 5.689 10.108 -0.910 1.00100.00 C ATOM 685 CG TYR A 45 4.483 9.373 -0.377 1.00100.00 C ATOM 686 CD1 TYR A 45 3.445 10.097 0.226 1.00100.00 C ATOM 687 CD2 TYR A 45 4.377 7.984 -0.529 1.00100.00 C ATOM 688 CE1 TYR A 45 2.300 9.434 0.689 1.00100.00 C ATOM 689 CE2 TYR A 45 3.236 7.313 -0.069 1.00100.00 C ATOM 690 CZ TYR A 45 2.192 8.037 0.543 1.00100.00 C ATOM 691 OH TYR A 45 1.080 7.386 0.990 1.00100.00 O ATOM 0 H TYR A 45 5.616 8.800 -3.122 1.00100.00 H new ATOM 0 HA TYR A 45 4.464 11.256 -2.263 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.536 9.425 -0.970 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.969 10.903 -0.218 1.00100.00 H new ATOM 0 HD1 TYR A 45 3.528 11.168 0.334 1.00100.00 H new ATOM 0 HD2 TYR A 45 5.175 7.430 -1.001 1.00100.00 H new ATOM 0 HE1 TYR A 45 1.503 9.993 1.156 1.00100.00 H new ATOM 0 HE2 TYR A 45 3.156 6.242 -0.183 1.00100.00 H new ATOM 0 HH TYR A 45 0.306 7.984 0.934 1.00100.00 H new ATOM 701 N PRO A 46 6.212 12.997 -2.740 1.00100.00 N ATOM 702 CA PRO A 46 7.154 14.042 -3.076 1.00100.00 C ATOM 703 C PRO A 46 8.317 14.165 -2.141 1.00100.00 C ATOM 704 O PRO A 46 9.412 14.466 -2.615 1.00100.00 O ATOM 705 CB PRO A 46 6.346 15.341 -3.108 1.00100.00 C ATOM 706 CG PRO A 46 4.940 14.868 -3.446 1.00100.00 C ATOM 707 CD PRO A 46 4.866 13.542 -2.698 1.00100.00 C ATOM 0 HA PRO A 46 7.615 13.803 -4.034 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.377 15.858 -2.149 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.728 16.035 -3.857 1.00100.00 H new ATOM 0 HG2 PRO A 46 4.180 15.571 -3.106 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.799 14.740 -4.519 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.534 13.689 -1.670 1.00100.00 H new ATOM 0 HD3 PRO A 46 4.154 12.865 -3.169 1.00100.00 H new ATOM 715 N GLU A 47 8.086 13.957 -0.821 1.00100.00 N ATOM 716 CA GLU A 47 9.132 14.059 0.158 1.00100.00 C ATOM 717 C GLU A 47 9.913 12.793 0.077 1.00100.00 C ATOM 718 O GLU A 47 9.337 11.703 0.139 1.00100.00 O ATOM 719 CB GLU A 47 8.627 14.198 1.612 1.00100.00 C ATOM 720 CG GLU A 47 9.814 14.355 2.566 1.00100.00 C ATOM 721 CD GLU A 47 9.372 14.534 4.014 1.00100.00 C ATOM 722 OE1 GLU A 47 8.159 14.380 4.272 1.00100.00 O ATOM 723 OE2 GLU A 47 10.265 14.819 4.841 1.00100.00 O1- ATOM 0 H GLU A 47 7.172 13.718 -0.435 1.00100.00 H new ATOM 0 HA GLU A 47 9.707 14.958 -0.064 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.966 15.061 1.695 1.00100.00 H new ATOM 0 HB3 GLU A 47 8.042 13.321 1.888 1.00100.00 H new ATOM 0 HG2 GLU A 47 10.457 13.478 2.490 1.00100.00 H new ATOM 0 HG3 GLU A 47 10.411 15.215 2.262 1.00100.00 H new ATOM 730 N GLU A 48 11.250 12.941 -0.058 1.00100.00 N ATOM 731 CA GLU A 48 12.124 11.811 -0.159 1.00100.00 C ATOM 732 C GLU A 48 12.774 11.542 1.158 1.00100.00 C ATOM 733 O GLU A 48 13.285 12.448 1.818 1.00100.00 O ATOM 734 CB GLU A 48 13.237 11.932 -1.215 1.00100.00 C ATOM 735 CG GLU A 48 12.668 11.872 -2.630 1.00100.00 C ATOM 736 CD GLU A 48 13.798 11.935 -3.649 1.00100.00 C ATOM 737 OE1 GLU A 48 14.572 12.916 -3.581 1.00100.00 O ATOM 738 OE2 GLU A 48 13.874 10.996 -4.471 1.00100.00 O1- ATOM 0 H GLU A 48 11.722 13.844 -0.097 1.00100.00 H new ATOM 0 HA GLU A 48 11.474 10.995 -0.475 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.773 12.871 -1.076 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.961 11.129 -1.077 1.00100.00 H new ATOM 0 HG2 GLU A 48 12.098 10.952 -2.763 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.978 12.700 -2.789 1.00100.00 H new ATOM 745 N LEU A 49 12.718 10.254 1.564 1.00100.00 N ATOM 746 CA LEU A 49 13.257 9.752 2.800 1.00100.00 C ATOM 747 C LEU A 49 14.750 9.911 2.881 1.00100.00 C ATOM 748 O LEU A 49 15.268 10.350 3.910 1.00100.00 O ATOM 749 CB LEU A 49 12.923 8.260 2.983 1.00100.00 C ATOM 750 CG LEU A 49 11.416 8.000 2.907 1.00100.00 C ATOM 751 CD1 LEU A 49 11.161 6.505 3.092 1.00100.00 C ATOM 752 CD2 LEU A 49 10.666 8.775 3.989 1.00100.00 C ATOM 0 H LEU A 49 12.275 9.527 1.003 1.00100.00 H new ATOM 0 HA LEU A 49 12.795 10.344 3.590 1.00100.00 H new ATOM 0 HB2 LEU A 49 13.431 7.677 2.215 1.00100.00 H new ATOM 0 HB3 LEU A 49 13.302 7.918 3.946 1.00100.00 H new ATOM 0 HG LEU A 49 11.055 8.334 1.934 1.00100.00 H new ATOM 0 HD11 LEU A 49 10.090 6.309 3.039 1.00100.00 H new ATOM 0 HD12 LEU A 49 11.670 5.949 2.305 1.00100.00 H new ATOM 0 HD13 LEU A 49 11.540 6.189 4.064 1.00100.00 H new ATOM 0 HD21 LEU A 49 9.598 8.570 3.909 1.00100.00 H new ATOM 0 HD22 LEU A 49 11.023 8.466 4.971 1.00100.00 H new ATOM 0 HD23 LEU A 49 10.841 9.843 3.859 1.00100.00 H new ATOM 764 N LEU A 50 15.463 9.568 1.780 1.00100.00 N ATOM 765 CA LEU A 50 16.901 9.653 1.688 1.00100.00 C ATOM 766 C LEU A 50 17.414 11.058 1.809 1.00100.00 C ATOM 767 O LEU A 50 18.377 11.296 2.538 1.00100.00 O ATOM 768 CB LEU A 50 17.457 9.048 0.381 1.00100.00 C ATOM 769 CG LEU A 50 17.253 7.531 0.336 1.00100.00 C ATOM 770 CD1 LEU A 50 17.583 7.026 -1.068 1.00100.00 C ATOM 771 CD2 LEU A 50 18.163 6.828 1.344 1.00100.00 C ATOM 0 H LEU A 50 15.025 9.221 0.927 1.00100.00 H new ATOM 0 HA LEU A 50 17.256 9.067 2.536 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.962 9.509 -0.474 1.00100.00 H new ATOM 0 HB3 LEU A 50 18.519 9.276 0.296 1.00100.00 H new ATOM 0 HG LEU A 50 16.216 7.311 0.589 1.00100.00 H new ATOM 0 HD11 LEU A 50 17.440 5.946 -1.109 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.925 7.507 -1.792 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.620 7.264 -1.306 1.00100.00 H new ATOM 0 HD21 LEU A 50 17.999 5.752 1.293 1.00100.00 H new ATOM 0 HD22 LEU A 50 19.204 7.048 1.109 1.00100.00 H new ATOM 0 HD23 LEU A 50 17.935 7.182 2.349 1.00100.00 H new ATOM 783 N THR A 51 16.761 12.022 1.120 1.00100.00 N ATOM 784 CA THR A 51 17.171 13.402 1.162 1.00100.00 C ATOM 785 C THR A 51 16.511 14.076 2.333 1.00100.00 C ATOM 786 O THR A 51 15.479 14.744 2.207 1.00100.00 O ATOM 787 CB THR A 51 16.934 14.122 -0.147 1.00100.00 C ATOM 788 OG1 THR A 51 15.615 13.916 -0.577 1.00100.00 O ATOM 789 CG2 THR A 51 17.897 13.617 -1.218 1.00100.00 C ATOM 0 H THR A 51 15.947 11.845 0.532 1.00100.00 H new ATOM 0 HA THR A 51 18.251 13.444 1.304 1.00100.00 H new ATOM 0 HB THR A 51 17.105 15.187 0.013 1.00100.00 H new ATOM 0 HG1 THR A 51 14.997 14.115 0.157 1.00100.00 H new ATOM 0 HG21 THR A 51 17.712 14.146 -2.153 1.00100.00 H new ATOM 0 HG22 THR A 51 18.923 13.795 -0.897 1.00100.00 H new ATOM 0 HG23 THR A 51 17.745 12.548 -1.370 1.00100.00 H new ATOM 797 N ASP A 52 17.139 13.906 3.521 1.00100.00 N ATOM 798 CA ASP A 52 16.617 14.449 4.743 1.00100.00 C ATOM 799 C ASP A 52 17.162 15.840 4.906 1.00100.00 C ATOM 800 O ASP A 52 18.329 16.052 5.244 1.00100.00 O ATOM 801 CB ASP A 52 17.014 13.557 5.951 1.00100.00 C ATOM 802 CG ASP A 52 16.522 14.165 7.258 1.00100.00 C ATOM 803 OD1 ASP A 52 15.355 14.615 7.273 1.00100.00 O ATOM 804 OD2 ASP A 52 17.324 14.174 8.217 1.00100.00 O1- ATOM 0 H ASP A 52 18.012 13.390 3.632 1.00100.00 H new ATOM 0 HA ASP A 52 15.528 14.479 4.704 1.00100.00 H new ATOM 0 HB2 ASP A 52 16.591 12.560 5.827 1.00100.00 H new ATOM 0 HB3 ASP A 52 18.097 13.442 5.983 1.00100.00 H new ATOM 809 N GLY A 53 16.287 16.823 4.608 1.00100.00 N ATOM 810 CA GLY A 53 16.577 18.225 4.714 1.00100.00 C ATOM 811 C GLY A 53 17.233 18.789 3.487 1.00100.00 C ATOM 812 O GLY A 53 17.342 20.010 3.380 1.00100.00 O ATOM 0 H GLY A 53 15.340 16.634 4.280 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.651 18.767 4.905 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.226 18.391 5.574 1.00100.00 H new ATOM 816 N GLU A 54 17.684 17.927 2.540 1.00100.00 N ATOM 817 CA GLU A 54 18.317 18.361 1.320 1.00100.00 C ATOM 818 C GLU A 54 17.320 19.021 0.414 1.00100.00 C ATOM 819 O GLU A 54 17.626 20.047 -0.198 1.00100.00 O ATOM 820 CB GLU A 54 18.987 17.211 0.543 1.00100.00 C ATOM 821 CG GLU A 54 19.977 16.445 1.420 1.00100.00 C ATOM 822 CD GLU A 54 21.089 17.356 1.925 1.00100.00 C ATOM 823 OE1 GLU A 54 21.702 18.033 1.072 1.00100.00 O ATOM 824 OE2 GLU A 54 21.307 17.358 3.156 1.00100.00 O1- ATOM 0 H GLU A 54 17.607 16.913 2.625 1.00100.00 H new ATOM 0 HA GLU A 54 19.092 19.065 1.623 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.223 16.527 0.172 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.505 17.612 -0.328 1.00100.00 H new ATOM 0 HG2 GLU A 54 19.451 16.006 2.267 1.00100.00 H new ATOM 0 HG3 GLU A 54 20.409 15.622 0.851 1.00100.00 H new ATOM 831 N ASP A 55 16.100 18.429 0.330 1.00100.00 N ATOM 832 CA ASP A 55 15.012 18.911 -0.487 1.00100.00 C ATOM 833 C ASP A 55 14.605 20.275 -0.020 1.00100.00 C ATOM 834 O ASP A 55 14.466 21.190 -0.833 1.00100.00 O ATOM 835 CB ASP A 55 13.739 18.038 -0.357 1.00100.00 C ATOM 836 CG ASP A 55 13.931 16.644 -0.948 1.00100.00 C ATOM 837 OD1 ASP A 55 14.879 16.479 -1.747 1.00100.00 O ATOM 838 OD2 ASP A 55 13.113 15.766 -0.598 1.00100.00 O1- ATOM 0 H ASP A 55 15.864 17.584 0.851 1.00100.00 H new ATOM 0 HA ASP A 55 15.375 18.897 -1.515 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.467 17.950 0.695 1.00100.00 H new ATOM 0 HB3 ASP A 55 12.909 18.533 -0.861 1.00100.00 H new ATOM 843 N ASP A 56 14.449 20.407 1.325 1.00100.00 N ATOM 844 CA ASP A 56 14.063 21.586 2.062 1.00100.00 C ATOM 845 C ASP A 56 12.785 22.174 1.502 1.00100.00 C ATOM 846 O ASP A 56 12.633 23.391 1.372 1.00100.00 O ATOM 847 CB ASP A 56 15.217 22.624 2.165 1.00100.00 C ATOM 848 CG ASP A 56 14.870 23.778 3.098 1.00100.00 C ATOM 849 OD1 ASP A 56 14.166 23.516 4.098 1.00100.00 O ATOM 850 OD2 ASP A 56 15.320 24.904 2.794 1.00100.00 O1- ATOM 0 H ASP A 56 14.608 19.615 1.948 1.00100.00 H new ATOM 0 HA ASP A 56 13.855 21.285 3.089 1.00100.00 H new ATOM 0 HB2 ASP A 56 16.119 22.128 2.523 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.441 23.016 1.173 1.00100.00 H new ATOM 855 N VAL A 57 11.833 21.282 1.138 1.00100.00 N ATOM 856 CA VAL A 57 10.561 21.690 0.598 1.00100.00 C ATOM 857 C VAL A 57 9.568 21.517 1.713 1.00100.00 C ATOM 858 O VAL A 57 8.794 22.425 2.015 1.00100.00 O ATOM 859 CB VAL A 57 10.115 20.854 -0.603 1.00100.00 C ATOM 860 CG1 VAL A 57 8.752 21.333 -1.105 1.00100.00 C ATOM 861 CG2 VAL A 57 11.136 20.985 -1.732 1.00100.00 C ATOM 0 H VAL A 57 11.946 20.272 1.219 1.00100.00 H new ATOM 0 HA VAL A 57 10.636 22.716 0.238 1.00100.00 H new ATOM 0 HB VAL A 57 10.039 19.812 -0.292 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.447 20.730 -1.960 1.00100.00 H new ATOM 0 HG12 VAL A 57 8.015 21.233 -0.308 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.822 22.378 -1.405 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.814 20.388 -2.585 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.216 22.030 -2.030 1.00100.00 H new ATOM 0 HG23 VAL A 57 12.107 20.631 -1.387 1.00100.00 H new ATOM 871 N PHE A 58 9.617 20.338 2.373 1.00100.00 N ATOM 872 CA PHE A 58 8.722 19.994 3.434 1.00100.00 C ATOM 873 C PHE A 58 8.800 20.815 4.671 1.00100.00 C ATOM 874 O PHE A 58 7.750 21.098 5.252 1.00100.00 O ATOM 875 CB PHE A 58 8.624 18.476 3.658 1.00100.00 C ATOM 876 CG PHE A 58 7.724 17.897 2.592 1.00100.00 C ATOM 877 CD1 PHE A 58 8.225 17.649 1.306 1.00100.00 C ATOM 878 CD2 PHE A 58 6.356 17.739 2.854 1.00100.00 C ATOM 879 CE1 PHE A 58 7.357 17.229 0.289 1.00100.00 C ATOM 880 CE2 PHE A 58 5.489 17.317 1.837 1.00100.00 C ATOM 881 CZ PHE A 58 5.991 17.062 0.554 1.00100.00 C ATOM 0 H PHE A 58 10.298 19.609 2.160 1.00100.00 H new ATOM 0 HA PHE A 58 7.746 20.303 3.060 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.613 18.020 3.609 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.224 18.263 4.649 1.00100.00 H new ATOM 0 HD1 PHE A 58 9.277 17.781 1.100 1.00100.00 H new ATOM 0 HD2 PHE A 58 5.969 17.943 3.842 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.742 17.034 -0.701 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.436 17.189 2.042 1.00100.00 H new ATOM 0 HZ PHE A 58 5.325 16.737 -0.231 1.00100.00 H new ATOM 891 N ASP A 59 10.022 21.216 5.106 1.00100.00 N ATOM 892 CA ASP A 59 10.151 22.037 6.292 1.00100.00 C ATOM 893 C ASP A 59 9.443 23.382 6.102 1.00100.00 C ATOM 894 O ASP A 59 8.658 23.736 6.985 1.00100.00 O ATOM 895 CB ASP A 59 11.624 22.202 6.770 1.00100.00 C ATOM 896 CG ASP A 59 12.245 20.840 7.053 1.00100.00 C ATOM 897 OD1 ASP A 59 11.650 20.103 7.868 1.00100.00 O ATOM 898 OD2 ASP A 59 13.298 20.557 6.442 1.00100.00 O1- ATOM 0 H ASP A 59 10.903 20.979 4.650 1.00100.00 H new ATOM 0 HA ASP A 59 9.649 21.506 7.101 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.204 22.722 6.008 1.00100.00 H new ATOM 0 HB3 ASP A 59 11.655 22.817 7.669 1.00100.00 H new ATOM 903 N PRO A 60 9.631 24.150 4.968 1.00100.00 N ATOM 904 CA PRO A 60 8.925 25.400 4.757 1.00100.00 C ATOM 905 C PRO A 60 7.458 25.211 4.467 1.00100.00 C ATOM 906 O PRO A 60 6.692 26.137 4.738 1.00100.00 O ATOM 907 CB PRO A 60 9.611 26.108 3.590 1.00100.00 C ATOM 908 CG PRO A 60 10.987 25.447 3.539 1.00100.00 C ATOM 909 CD PRO A 60 10.712 24.021 4.012 1.00100.00 C ATOM 0 HA PRO A 60 8.968 25.991 5.672 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.063 25.970 2.658 1.00100.00 H new ATOM 0 HB3 PRO A 60 9.687 27.182 3.759 1.00100.00 H new ATOM 0 HG2 PRO A 60 11.403 25.463 2.532 1.00100.00 H new ATOM 0 HG3 PRO A 60 11.701 25.955 4.187 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.429 23.376 3.180 1.00100.00 H new ATOM 0 HD3 PRO A 60 11.596 23.579 4.472 1.00100.00 H new ATOM 917 N ASP A 61 7.067 24.030 3.914 1.00100.00 N ATOM 918 CA ASP A 61 5.725 23.647 3.527 1.00100.00 C ATOM 919 C ASP A 61 5.115 24.662 2.577 1.00100.00 C ATOM 920 O ASP A 61 3.954 25.063 2.693 1.00100.00 O ATOM 921 CB ASP A 61 4.798 23.322 4.735 1.00100.00 C ATOM 922 CG ASP A 61 3.507 22.663 4.264 1.00100.00 C ATOM 923 OD1 ASP A 61 3.616 21.587 3.635 1.00100.00 O ATOM 924 OD2 ASP A 61 2.437 23.250 4.534 1.00100.00 O1- ATOM 0 H ASP A 61 7.741 23.289 3.724 1.00100.00 H new ATOM 0 HA ASP A 61 5.817 22.706 2.985 1.00100.00 H new ATOM 0 HB2 ASP A 61 5.317 22.661 5.430 1.00100.00 H new ATOM 0 HB3 ASP A 61 4.567 24.238 5.279 1.00100.00 H new ATOM 929 N LEU A 62 5.940 25.104 1.599 1.00100.00 N ATOM 930 CA LEU A 62 5.543 26.064 0.609 1.00100.00 C ATOM 931 C LEU A 62 5.504 25.325 -0.694 1.00100.00 C ATOM 932 O LEU A 62 6.470 24.662 -1.082 1.00100.00 O ATOM 933 CB LEU A 62 6.534 27.249 0.491 1.00100.00 C ATOM 934 CG LEU A 62 6.128 28.217 -0.624 1.00100.00 C ATOM 935 CD1 LEU A 62 4.775 28.862 -0.322 1.00100.00 C ATOM 936 CD2 LEU A 62 7.188 29.310 -0.744 1.00100.00 C ATOM 0 H LEU A 62 6.904 24.785 1.497 1.00100.00 H new ATOM 0 HA LEU A 62 4.580 26.494 0.886 1.00100.00 H new ATOM 0 HB2 LEU A 62 6.577 27.784 1.440 1.00100.00 H new ATOM 0 HB3 LEU A 62 7.536 26.867 0.295 1.00100.00 H new ATOM 0 HG LEU A 62 6.046 27.660 -1.557 1.00100.00 H new ATOM 0 HD11 LEU A 62 4.509 29.545 -1.129 1.00100.00 H new ATOM 0 HD12 LEU A 62 4.013 28.087 -0.237 1.00100.00 H new ATOM 0 HD13 LEU A 62 4.836 29.414 0.616 1.00100.00 H new ATOM 0 HD21 LEU A 62 6.907 30.004 -1.536 1.00100.00 H new ATOM 0 HD22 LEU A 62 7.264 29.849 0.201 1.00100.00 H new ATOM 0 HD23 LEU A 62 8.151 28.858 -0.982 1.00100.00 H new ATOM 948 N ASP A 63 4.351 25.434 -1.386 1.00100.00 N ATOM 949 CA ASP A 63 4.160 24.786 -2.650 1.00100.00 C ATOM 950 C ASP A 63 4.116 25.851 -3.691 1.00100.00 C ATOM 951 O ASP A 63 3.404 26.849 -3.540 1.00100.00 O ATOM 952 CB ASP A 63 2.838 23.992 -2.784 1.00100.00 C ATOM 953 CG ASP A 63 2.792 22.866 -1.760 1.00100.00 C ATOM 954 OD1 ASP A 63 3.650 21.962 -1.872 1.00100.00 O ATOM 955 OD2 ASP A 63 1.907 22.930 -0.879 1.00100.00 O1- ATOM 0 H ASP A 63 3.547 25.975 -1.067 1.00100.00 H new ATOM 0 HA ASP A 63 4.978 24.073 -2.755 1.00100.00 H new ATOM 0 HB2 ASP A 63 1.989 24.660 -2.639 1.00100.00 H new ATOM 0 HB3 ASP A 63 2.753 23.582 -3.790 1.00100.00 H new ATOM 960 N MET A 64 4.934 25.666 -4.750 1.00100.00 N ATOM 961 CA MET A 64 4.978 26.585 -5.851 1.00100.00 C ATOM 962 C MET A 64 4.390 25.797 -6.982 1.00100.00 C ATOM 963 O MET A 64 5.026 24.904 -7.551 1.00100.00 O ATOM 964 CB MET A 64 6.406 27.043 -6.212 1.00100.00 C ATOM 965 CG MET A 64 7.048 27.773 -5.034 1.00100.00 C ATOM 966 SD MET A 64 6.133 29.229 -4.461 1.00100.00 S ATOM 967 CE MET A 64 6.165 30.214 -5.979 1.00100.00 C ATOM 0 H MET A 64 5.569 24.873 -4.842 1.00100.00 H new ATOM 0 HA MET A 64 4.445 27.506 -5.616 1.00100.00 H new ATOM 0 HB2 MET A 64 7.012 26.180 -6.487 1.00100.00 H new ATOM 0 HB3 MET A 64 6.375 27.700 -7.081 1.00100.00 H new ATOM 0 HG2 MET A 64 7.151 27.075 -4.203 1.00100.00 H new ATOM 0 HG3 MET A 64 8.054 28.081 -5.319 1.00100.00 H new ATOM 0 HE1 MET A 64 5.906 31.247 -5.748 1.00100.00 H new ATOM 0 HE2 MET A 64 7.164 30.179 -6.415 1.00100.00 H new ATOM 0 HE3 MET A 64 5.445 29.810 -6.690 1.00100.00 H new ATOM 977 N GLU A 65 3.130 26.141 -7.317 1.00100.00 N ATOM 978 CA GLU A 65 2.347 25.505 -8.342 1.00100.00 C ATOM 979 C GLU A 65 2.902 25.631 -9.721 1.00100.00 C ATOM 980 O GLU A 65 2.937 24.648 -10.461 1.00100.00 O ATOM 981 CB GLU A 65 0.887 25.983 -8.335 1.00100.00 C ATOM 982 CG GLU A 65 0.235 25.653 -6.994 1.00100.00 C ATOM 983 CD GLU A 65 -1.227 26.078 -6.985 1.00100.00 C ATOM 984 OE1 GLU A 65 -1.460 27.307 -6.981 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.082 25.168 -6.985 1.00100.00 O1- ATOM 0 H GLU A 65 2.631 26.899 -6.852 1.00100.00 H new ATOM 0 HA GLU A 65 2.390 24.448 -8.081 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.847 27.058 -8.513 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.335 25.505 -9.144 1.00100.00 H new ATOM 0 HG2 GLU A 65 0.308 24.582 -6.802 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.770 26.158 -6.190 1.00100.00 H new ATOM 992 N VAL A 66 3.381 26.845 -10.062 1.00100.00 N ATOM 993 CA VAL A 66 3.946 27.169 -11.350 1.00100.00 C ATOM 994 C VAL A 66 5.178 26.329 -11.591 1.00100.00 C ATOM 995 O VAL A 66 5.338 25.794 -12.690 1.00100.00 O ATOM 996 CB VAL A 66 4.259 28.660 -11.454 1.00100.00 C ATOM 997 CG1 VAL A 66 4.851 28.979 -12.826 1.00100.00 C ATOM 998 CG2 VAL A 66 2.980 29.475 -11.258 1.00100.00 C ATOM 0 H VAL A 66 3.377 27.636 -9.418 1.00100.00 H new ATOM 0 HA VAL A 66 3.213 26.941 -12.124 1.00100.00 H new ATOM 0 HB VAL A 66 4.981 28.919 -10.679 1.00100.00 H new ATOM 0 HG11 VAL A 66 5.070 30.045 -12.889 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.770 28.411 -12.967 1.00100.00 H new ATOM 0 HG13 VAL A 66 4.135 28.709 -13.603 1.00100.00 H new ATOM 0 HG21 VAL A 66 3.211 30.538 -11.333 1.00100.00 H new ATOM 0 HG22 VAL A 66 2.255 29.205 -12.026 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.561 29.264 -10.274 1.00100.00 H new ATOM 1008 N VAL A 67 6.045 26.175 -10.554 1.00100.00 N ATOM 1009 CA VAL A 67 7.265 25.409 -10.663 1.00100.00 C ATOM 1010 C VAL A 67 6.966 23.965 -10.970 1.00100.00 C ATOM 1011 O VAL A 67 7.539 23.446 -11.930 1.00100.00 O ATOM 1012 CB VAL A 67 8.130 25.526 -9.408 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.388 24.667 -9.534 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.531 26.985 -9.188 1.00100.00 C ATOM 0 H VAL A 67 5.897 26.586 -9.633 1.00100.00 H new ATOM 0 HA VAL A 67 7.835 25.830 -11.491 1.00100.00 H new ATOM 0 HB VAL A 67 7.548 25.172 -8.557 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.988 24.766 -8.630 1.00100.00 H new ATOM 0 HG12 VAL A 67 9.104 23.623 -9.669 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.970 24.998 -10.394 1.00100.00 H new ATOM 0 HG21 VAL A 67 9.147 27.062 -8.292 1.00100.00 H new ATOM 0 HG22 VAL A 67 9.097 27.341 -10.049 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.635 27.594 -9.066 1.00100.00 H new ATOM 1024 N PHE A 68 6.037 23.314 -10.217 1.00100.00 N ATOM 1025 CA PHE A 68 5.741 21.930 -10.483 1.00100.00 C ATOM 1026 C PHE A 68 5.028 21.669 -11.773 1.00100.00 C ATOM 1027 O PHE A 68 5.348 20.696 -12.460 1.00100.00 O ATOM 1028 CB PHE A 68 5.181 21.089 -9.304 1.00100.00 C ATOM 1029 CG PHE A 68 3.709 21.204 -8.999 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.792 20.384 -9.668 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.270 22.053 -7.975 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.435 20.419 -9.321 1.00100.00 C ATOM 1033 CE2 PHE A 68 1.914 22.089 -7.627 1.00100.00 C ATOM 1034 CZ PHE A 68 0.996 21.275 -8.303 1.00100.00 C ATOM 0 H PHE A 68 5.510 23.733 -9.451 1.00100.00 H new ATOM 0 HA PHE A 68 6.750 21.539 -10.614 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.401 20.041 -9.506 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.732 21.363 -8.405 1.00100.00 H new ATOM 0 HD1 PHE A 68 3.131 19.724 -10.452 1.00100.00 H new ATOM 0 HD2 PHE A 68 3.978 22.680 -7.453 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.728 19.787 -9.838 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.576 22.744 -6.838 1.00100.00 H new ATOM 0 HZ PHE A 68 -0.051 21.307 -8.039 1.00100.00 H new ATOM 1044 N GLU A 69 4.080 22.558 -12.149 1.00100.00 N ATOM 1045 CA GLU A 69 3.316 22.369 -13.349 1.00100.00 C ATOM 1046 C GLU A 69 4.050 22.828 -14.567 1.00100.00 C ATOM 1047 O GLU A 69 3.914 23.955 -15.048 1.00100.00 O ATOM 1048 CB GLU A 69 1.906 22.998 -13.318 1.00100.00 C ATOM 1049 CG GLU A 69 1.064 22.317 -12.244 1.00100.00 C ATOM 1050 CD GLU A 69 -0.373 22.813 -12.299 1.00100.00 C ATOM 1051 OE1 GLU A 69 -1.133 22.254 -13.117 1.00100.00 O1- ATOM 1052 OE2 GLU A 69 -0.685 23.742 -11.522 1.00100.00 O ATOM 0 H GLU A 69 3.845 23.401 -11.625 1.00100.00 H new ATOM 0 HA GLU A 69 3.175 21.289 -13.402 1.00100.00 H new ATOM 0 HB2 GLU A 69 1.978 24.066 -13.114 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.428 22.891 -14.292 1.00100.00 H new ATOM 0 HG2 GLU A 69 1.088 21.237 -12.386 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.487 22.519 -11.260 1.00100.00 H new ATOM 1059 N THR A 70 4.904 21.905 -15.054 1.00100.00 N ATOM 1060 CA THR A 70 5.712 22.053 -16.234 1.00100.00 C ATOM 1061 C THR A 70 4.764 22.124 -17.418 1.00100.00 C ATOM 1062 O THR A 70 4.967 22.925 -18.334 1.00100.00 O ATOM 1063 CB THR A 70 6.676 20.890 -16.345 1.00100.00 C ATOM 1064 OG1 THR A 70 7.488 20.842 -15.191 1.00100.00 O ATOM 1065 CG2 THR A 70 7.565 21.054 -17.576 1.00100.00 C ATOM 0 H THR A 70 5.039 21.002 -14.599 1.00100.00 H new ATOM 0 HA THR A 70 6.317 22.959 -16.198 1.00100.00 H new ATOM 0 HB THR A 70 6.104 19.967 -16.438 1.00100.00 H new ATOM 0 HG1 THR A 70 8.111 20.089 -15.261 1.00100.00 H new ATOM 0 HG21 THR A 70 8.253 20.211 -17.643 1.00100.00 H new ATOM 0 HG22 THR A 70 6.944 21.088 -18.471 1.00100.00 H new ATOM 0 HG23 THR A 70 8.133 21.980 -17.493 1.00100.00 H new ATOM 1073 N GLN A 71 3.694 21.288 -17.386 1.00100.00 N ATOM 1074 CA GLN A 71 2.674 21.217 -18.408 1.00100.00 C ATOM 1075 C GLN A 71 1.827 22.490 -18.300 1.00100.00 C ATOM 1076 O GLN A 71 1.321 22.787 -17.184 1.00100.00 O ATOM 1077 CB GLN A 71 1.672 20.035 -18.274 1.00100.00 C ATOM 1078 CG GLN A 71 2.269 18.805 -17.591 1.00100.00 C ATOM 1079 CD GLN A 71 1.852 18.739 -16.126 1.00100.00 C ATOM 1080 OE1 GLN A 71 1.385 17.699 -15.669 1.00100.00 O ATOM 1081 NE2 GLN A 71 1.999 19.846 -15.392 1.00100.00 N ATOM 1082 OXT GLN A 71 1.686 23.167 -19.341 1.00100.00 O1- ATOM 0 H GLN A 71 3.533 20.636 -16.618 1.00100.00 H new ATOM 0 HA GLN A 71 3.209 21.087 -19.349 1.00100.00 H new ATOM 0 HB2 GLN A 71 0.802 20.369 -17.708 1.00100.00 H new ATOM 0 HB3 GLN A 71 1.319 19.754 -19.266 1.00100.00 H new ATOM 0 HG2 GLN A 71 1.941 17.903 -18.107 1.00100.00 H new ATOM 0 HG3 GLN A 71 3.356 18.836 -17.663 1.00100.00 H new ATOM 0 HE21 GLN A 71 2.392 20.688 -15.812 1.00100.00 H new ATOM 0 HE22 GLN A 71 1.719 19.849 -14.411 1.00100.00 H new TER 1091 GLN A 71 HETATM 1092 ZN ZN A 101 4.591 0.516 -0.054 1.00 73.25 ZN