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 X(o=1.2,f=1.2) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -142:sc= 1.21 (180deg=0.61) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 7 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0966 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0172) USER MOD Single : A 14 TYR OH : rot -12:sc= 1.06 USER MOD Single : A 16 ASN : amide:sc= 0.315 K(o=0.32,f=-6.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.448 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.789 -4.510 -3.146 1.00 25.00 N ATOM 2 CA GLY A 1 2.492 -4.580 -4.429 1.00 25.00 C ATOM 3 C GLY A 1 2.933 -3.230 -4.909 1.00 25.00 C ATOM 4 O GLY A 1 2.883 -2.276 -4.156 1.00 25.00 O ATOM 0 H1 GLY A 1 2.262 -5.129 -2.457 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.800 -3.530 -2.797 1.00 25.00 H new ATOM 0 H3 GLY A 1 0.805 -4.821 -3.272 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.361 -5.230 -4.330 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.839 -5.033 -5.175 1.00 25.00 H new ATOM 10 N SER A 2 3.366 -3.142 -6.153 1.00 25.00 N ATOM 11 CA SER A 2 3.758 -1.837 -6.726 1.00 25.00 C ATOM 12 C SER A 2 2.539 -0.915 -6.834 1.00 25.00 C ATOM 13 O SER A 2 1.456 -1.374 -7.143 1.00 25.00 O ATOM 14 CB SER A 2 4.342 -2.033 -8.125 1.00 25.00 C ATOM 15 OG SER A 2 4.742 -0.780 -8.685 1.00 25.00 O ATOM 0 H SER A 2 3.460 -3.934 -6.788 1.00 25.00 H new ATOM 0 HA SER A 2 4.503 -1.388 -6.069 1.00 25.00 H new ATOM 0 HB2 SER A 2 5.199 -2.705 -8.076 1.00 25.00 H new ATOM 0 HB3 SER A 2 3.602 -2.506 -8.771 1.00 25.00 H new ATOM 0 HG SER A 2 5.115 -0.926 -9.580 1.00 25.00 H new ATOM 21 N PRO A 3 2.708 0.385 -6.508 1.00 25.00 N ATOM 22 CA PRO A 3 1.527 1.239 -6.604 1.00 25.00 C ATOM 23 C PRO A 3 0.966 1.411 -8.013 1.00 25.00 C ATOM 24 O PRO A 3 1.609 1.996 -8.891 1.00 25.00 O ATOM 25 CB PRO A 3 2.040 2.587 -6.073 1.00 25.00 C ATOM 26 CG PRO A 3 3.237 2.272 -5.287 1.00 25.00 C ATOM 27 CD PRO A 3 3.885 1.140 -6.010 1.00 25.00 C ATOM 0 HA PRO A 3 0.693 0.803 -6.053 1.00 25.00 H new ATOM 0 HB2 PRO A 3 2.277 3.266 -6.892 1.00 25.00 H new ATOM 0 HB3 PRO A 3 1.286 3.079 -5.459 1.00 25.00 H new ATOM 0 HG2 PRO A 3 3.904 3.132 -5.221 1.00 25.00 H new ATOM 0 HG3 PRO A 3 2.977 1.991 -4.266 1.00 25.00 H new ATOM 0 HD2 PRO A 3 4.523 1.486 -6.823 1.00 25.00 H new ATOM 0 HD3 PRO A 3 4.509 0.537 -5.350 1.00 25.00 H new ATOM 35 N THR A 4 -0.283 1.002 -8.199 1.00 25.00 N ATOM 36 CA THR A 4 -0.989 1.171 -9.467 1.00 25.00 C ATOM 37 C THR A 4 -1.444 2.621 -9.622 1.00 25.00 C ATOM 38 O THR A 4 -1.931 3.037 -10.663 1.00 25.00 O ATOM 39 CB THR A 4 -2.222 0.262 -9.522 1.00 25.00 C ATOM 40 OG1 THR A 4 -2.994 0.432 -8.326 1.00 25.00 O ATOM 41 CG2 THR A 4 -1.809 -1.205 -9.605 1.00 25.00 C ATOM 0 H THR A 4 -0.837 0.543 -7.476 1.00 25.00 H new ATOM 0 HA THR A 4 -0.306 0.905 -10.274 1.00 25.00 H new ATOM 0 HB THR A 4 -2.802 0.532 -10.404 1.00 25.00 H new ATOM 0 HG1 THR A 4 -3.783 -0.148 -8.361 1.00 25.00 H new ATOM 0 HG21 THR A 4 -2.700 -1.832 -9.643 1.00 25.00 H new ATOM 0 HG22 THR A 4 -1.214 -1.365 -10.504 1.00 25.00 H new ATOM 0 HG23 THR A 4 -1.218 -1.467 -8.727 1.00 25.00 H new ATOM 49 N PHE A 5 -1.163 3.414 -8.601 1.00 25.00 N ATOM 50 CA PHE A 5 -1.389 4.856 -8.611 1.00 25.00 C ATOM 51 C PHE A 5 -0.662 5.531 -9.792 1.00 25.00 C ATOM 52 O PHE A 5 -1.126 6.535 -10.336 1.00 25.00 O ATOM 53 CB PHE A 5 -0.868 5.383 -7.274 1.00 25.00 C ATOM 54 CG PHE A 5 -0.953 6.886 -7.109 1.00 25.00 C ATOM 55 CD1 PHE A 5 0.146 7.688 -7.454 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.085 7.491 -6.546 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.129 9.070 -7.232 1.00 25.00 C ATOM 58 CE2 PHE A 5 -2.096 8.882 -6.289 1.00 25.00 C ATOM 59 CZ PHE A 5 -0.969 9.669 -6.646 1.00 25.00 C ATOM 0 H PHE A 5 -0.765 3.072 -7.727 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.448 5.081 -8.738 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.431 4.911 -6.469 1.00 25.00 H new ATOM 0 HB3 PHE A 5 0.172 5.077 -7.159 1.00 25.00 H new ATOM 0 HD1 PHE A 5 1.019 7.232 -7.898 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -2.952 6.893 -6.307 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.979 9.671 -7.520 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.956 9.342 -5.825 1.00 25.00 H new ATOM 0 HZ PHE A 5 -0.970 10.733 -6.460 1.00 25.00 H new ATOM 69 N CYS A 6 0.471 4.971 -10.189 1.00 25.00 N ATOM 70 CA CYS A 6 1.255 5.530 -11.288 1.00 25.00 C ATOM 71 C CYS A 6 1.256 4.658 -12.538 1.00 25.00 C ATOM 72 O CYS A 6 1.600 5.092 -13.631 1.00 25.00 O ATOM 73 CB CYS A 6 2.714 5.746 -10.826 1.00 25.00 C ATOM 74 SG CYS A 6 3.781 6.556 -12.062 1.00 25.00 S ATOM 0 H CYS A 6 0.870 4.131 -9.769 1.00 25.00 H new ATOM 0 HA CYS A 6 0.782 6.475 -11.556 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.710 6.348 -9.917 1.00 25.00 H new ATOM 0 HB3 CYS A 6 3.147 4.780 -10.567 1.00 25.00 H new ATOM 79 N GLN A 7 0.863 3.414 -12.380 1.00 25.00 N ATOM 80 CA GLN A 7 0.781 2.544 -13.536 1.00 25.00 C ATOM 81 C GLN A 7 -0.337 3.057 -14.453 1.00 25.00 C ATOM 82 O GLN A 7 -1.475 3.282 -14.022 1.00 25.00 O ATOM 83 CB GLN A 7 0.558 1.121 -13.062 1.00 25.00 C ATOM 84 CG GLN A 7 1.765 0.513 -12.336 1.00 25.00 C ATOM 85 CD GLN A 7 1.533 -0.914 -11.874 1.00 25.00 C ATOM 86 OE1 GLN A 7 0.939 -1.728 -12.562 1.00 25.00 O ATOM 87 NE2 GLN A 7 1.998 -1.225 -10.696 1.00 25.00 N ATOM 0 H GLN A 7 0.601 2.989 -11.490 1.00 25.00 H new ATOM 0 HA GLN A 7 1.705 2.548 -14.114 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -0.303 1.101 -12.394 1.00 25.00 H new ATOM 0 HB3 GLN A 7 0.310 0.497 -13.920 1.00 25.00 H new ATOM 0 HG2 GLN A 7 2.629 0.536 -13.000 1.00 25.00 H new ATOM 0 HG3 GLN A 7 2.010 1.132 -11.473 1.00 25.00 H new ATOM 0 HE21 GLN A 7 2.491 -0.525 -10.141 1.00 25.00 H new ATOM 0 HE22 GLN A 7 1.869 -2.168 -10.329 1.00 25.00 H new ATOM 96 N GLY A 8 0.013 3.280 -15.710 1.00 25.00 N ATOM 97 CA GLY A 8 -0.931 3.765 -16.703 1.00 25.00 C ATOM 98 C GLY A 8 -1.053 5.281 -16.736 1.00 25.00 C ATOM 99 O GLY A 8 -1.932 5.846 -17.386 1.00 25.00 O ATOM 0 H GLY A 8 0.956 3.130 -16.069 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -0.624 3.412 -17.687 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -1.912 3.334 -16.501 1.00 25.00 H new ATOM 103 N LYS A 9 -0.158 5.965 -16.048 1.00 25.00 N ATOM 104 CA LYS A 9 -0.147 7.435 -16.037 1.00 25.00 C ATOM 105 C LYS A 9 1.017 7.907 -16.864 1.00 25.00 C ATOM 106 O LYS A 9 2.060 7.260 -16.919 1.00 25.00 O ATOM 107 CB LYS A 9 0.000 7.980 -14.622 1.00 25.00 C ATOM 108 CG LYS A 9 -1.318 8.231 -13.967 1.00 25.00 C ATOM 109 CD LYS A 9 -2.037 6.930 -13.588 1.00 25.00 C ATOM 110 CE LYS A 9 -3.236 7.202 -12.686 1.00 25.00 C ATOM 111 NZ LYS A 9 -4.284 7.992 -13.408 1.00 25.00 N ATOM 0 H LYS A 9 0.576 5.535 -15.485 1.00 25.00 H new ATOM 0 HA LYS A 9 -1.092 7.795 -16.444 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.572 7.273 -14.021 1.00 25.00 H new ATOM 0 HB3 LYS A 9 0.571 8.908 -14.651 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -1.167 8.834 -13.072 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -1.951 8.811 -14.639 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -2.368 6.418 -14.492 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -1.341 6.262 -13.080 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -3.659 6.258 -12.343 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -2.912 7.746 -11.799 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -5.103 8.134 -12.783 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -3.894 8.916 -13.684 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -4.584 7.475 -14.259 1.00 25.00 H new ATOM 125 N ALA A 10 0.840 9.061 -17.468 1.00 25.00 N ATOM 126 CA ALA A 10 1.921 9.656 -18.227 1.00 25.00 C ATOM 127 C ALA A 10 2.908 10.170 -17.205 1.00 25.00 C ATOM 128 O ALA A 10 2.512 10.507 -16.085 1.00 25.00 O ATOM 129 CB ALA A 10 1.402 10.791 -19.138 1.00 25.00 C ATOM 0 H ALA A 10 -0.026 9.600 -17.451 1.00 25.00 H new ATOM 0 HA ALA A 10 2.389 8.931 -18.893 1.00 25.00 H new ATOM 0 HB1 ALA A 10 2.235 11.219 -19.696 1.00 25.00 H new ATOM 0 HB2 ALA A 10 0.666 10.390 -19.835 1.00 25.00 H new ATOM 0 HB3 ALA A 10 0.938 11.565 -18.527 1.00 25.00 H new ATOM 135 N ASP A 11 4.180 10.222 -17.565 1.00 25.00 N ATOM 136 CA ASP A 11 5.179 10.727 -16.645 1.00 25.00 C ATOM 137 C ASP A 11 4.901 12.227 -16.434 1.00 25.00 C ATOM 138 O ASP A 11 4.323 12.895 -17.313 1.00 25.00 O ATOM 139 CB ASP A 11 6.606 10.513 -17.175 1.00 25.00 C ATOM 140 CG ASP A 11 7.137 9.092 -16.907 1.00 25.00 C ATOM 141 OD1 ASP A 11 8.323 8.839 -17.234 1.00 25.00 O ATOM 142 OD2 ASP A 11 6.413 8.239 -16.348 1.00 25.00 O ATOM 0 H ASP A 11 4.539 9.926 -18.473 1.00 25.00 H new ATOM 0 HA ASP A 11 5.114 10.183 -15.703 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.623 10.706 -18.248 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.274 11.239 -16.710 1.00 25.00 H new ATOM 147 N GLY A 12 5.248 12.727 -15.262 1.00 25.00 N ATOM 148 CA GLY A 12 4.949 14.104 -14.903 1.00 25.00 C ATOM 149 C GLY A 12 4.563 14.188 -13.447 1.00 25.00 C ATOM 150 O GLY A 12 4.567 13.182 -12.719 1.00 25.00 O ATOM 0 H GLY A 12 5.739 12.200 -14.540 1.00 25.00 H new ATOM 0 HA2 GLY A 12 5.817 14.735 -15.094 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.138 14.482 -15.525 1.00 25.00 H new ATOM 154 N LEU A 13 4.273 15.397 -12.990 1.00 25.00 N ATOM 155 CA LEU A 13 3.944 15.603 -11.577 1.00 25.00 C ATOM 156 C LEU A 13 2.447 15.742 -11.332 1.00 25.00 C ATOM 157 O LEU A 13 1.726 16.285 -12.150 1.00 25.00 O ATOM 158 CB LEU A 13 4.615 16.880 -11.067 1.00 25.00 C ATOM 159 CG LEU A 13 6.119 17.034 -11.280 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.610 18.228 -10.511 1.00 25.00 C ATOM 161 CD2 LEU A 13 6.909 15.806 -10.849 1.00 25.00 C ATOM 0 H LEU A 13 4.257 16.242 -13.562 1.00 25.00 H new ATOM 0 HA LEU A 13 4.303 14.720 -11.048 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.122 17.729 -11.541 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.420 16.955 -9.997 1.00 25.00 H new ATOM 0 HG LEU A 13 6.279 17.163 -12.350 1.00 25.00 H new ATOM 0 HD11 LEU A 13 7.684 18.341 -10.661 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.098 19.123 -10.864 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.405 18.087 -9.450 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.971 15.976 -11.025 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.742 15.620 -9.788 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.580 14.941 -11.425 1.00 25.00 H new ATOM 173 N TYR A 14 2.005 15.315 -10.161 1.00 25.00 N ATOM 174 CA TYR A 14 0.604 15.450 -9.784 1.00 25.00 C ATOM 175 C TYR A 14 0.559 16.022 -8.363 1.00 25.00 C ATOM 176 O TYR A 14 1.463 15.731 -7.583 1.00 25.00 O ATOM 177 CB TYR A 14 -0.129 14.102 -9.864 1.00 25.00 C ATOM 178 CG TYR A 14 -0.046 13.480 -11.236 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.012 12.624 -11.574 1.00 25.00 C ATOM 180 CD2 TYR A 14 -1.009 13.753 -12.222 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.122 12.036 -12.871 1.00 25.00 C ATOM 182 CE2 TYR A 14 -0.930 13.178 -13.525 1.00 25.00 C ATOM 183 CZ TYR A 14 0.157 12.317 -13.841 1.00 25.00 C ATOM 184 OH TYR A 14 0.263 11.779 -15.114 1.00 25.00 O ATOM 0 H TYR A 14 2.593 14.872 -9.455 1.00 25.00 H new ATOM 0 HA TYR A 14 0.093 16.120 -10.476 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.297 13.416 -9.131 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -1.176 14.245 -9.596 1.00 25.00 H new ATOM 0 HD1 TYR A 14 1.765 12.403 -10.832 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.830 14.415 -11.987 1.00 25.00 H new ATOM 0 HE1 TYR A 14 1.947 11.378 -13.100 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.688 13.394 -14.264 1.00 25.00 H new ATOM 0 HH TYR A 14 1.152 11.382 -15.229 1.00 25.00 H new ATOM 194 N PRO A 15 -0.421 16.887 -8.032 1.00 25.00 N ATOM 195 CA PRO A 15 -0.352 17.507 -6.703 1.00 25.00 C ATOM 196 C PRO A 15 -0.700 16.560 -5.547 1.00 25.00 C ATOM 197 O PRO A 15 -1.552 15.675 -5.678 1.00 25.00 O ATOM 198 CB PRO A 15 -1.389 18.615 -6.804 1.00 25.00 C ATOM 199 CG PRO A 15 -2.378 18.133 -7.742 1.00 25.00 C ATOM 200 CD PRO A 15 -1.577 17.395 -8.796 1.00 25.00 C ATOM 0 HA PRO A 15 0.661 17.837 -6.472 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -1.838 18.823 -5.833 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -0.938 19.544 -7.152 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.097 17.473 -7.256 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -2.945 18.956 -8.178 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.151 16.586 -9.247 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.268 18.056 -9.606 1.00 25.00 H new ATOM 208 N ASN A 16 -0.085 16.802 -4.396 1.00 25.00 N ATOM 209 CA ASN A 16 -0.377 16.048 -3.190 1.00 25.00 C ATOM 210 C ASN A 16 -1.396 16.836 -2.355 1.00 25.00 C ATOM 211 O ASN A 16 -1.097 17.935 -1.930 1.00 25.00 O ATOM 212 CB ASN A 16 0.889 15.813 -2.380 1.00 25.00 C ATOM 213 CG ASN A 16 0.704 14.770 -1.294 1.00 25.00 C ATOM 214 OD1 ASN A 16 -0.261 14.799 -0.543 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.633 13.839 -1.209 1.00 25.00 N ATOM 0 H ASN A 16 0.626 17.523 -4.275 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.786 15.075 -3.462 1.00 25.00 H new ATOM 0 HB2 ASN A 16 1.690 15.497 -3.049 1.00 25.00 H new ATOM 0 HB3 ASN A 16 1.205 16.752 -1.926 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.561 13.110 -0.499 1.00 25.00 H new ATOM 0 HD22 ASN A 16 2.424 13.847 -1.853 1.00 25.00 H new ATOM 222 N PRO A 17 -2.600 16.281 -2.105 1.00 25.00 N ATOM 223 CA PRO A 17 -3.599 17.044 -1.345 1.00 25.00 C ATOM 224 C PRO A 17 -3.409 17.046 0.166 1.00 25.00 C ATOM 225 O PRO A 17 -4.076 17.802 0.877 1.00 25.00 O ATOM 226 CB PRO A 17 -4.889 16.314 -1.697 1.00 25.00 C ATOM 227 CG PRO A 17 -4.454 14.889 -1.799 1.00 25.00 C ATOM 228 CD PRO A 17 -3.132 14.960 -2.512 1.00 25.00 C ATOM 0 HA PRO A 17 -3.555 18.102 -1.604 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -5.651 16.449 -0.929 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -5.313 16.674 -2.634 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -4.352 14.432 -0.815 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -5.176 14.291 -2.355 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -2.469 14.149 -2.212 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -3.253 14.890 -3.593 1.00 25.00 H new ATOM 236 N ARG A 18 -2.551 16.165 0.679 1.00 25.00 N ATOM 237 CA ARG A 18 -2.315 16.061 2.120 1.00 25.00 C ATOM 238 C ARG A 18 -1.223 17.028 2.571 1.00 25.00 C ATOM 239 O ARG A 18 -1.326 17.658 3.620 1.00 25.00 O ATOM 240 CB ARG A 18 -1.860 14.631 2.475 1.00 25.00 C ATOM 241 CG ARG A 18 -1.767 14.345 3.965 1.00 25.00 C ATOM 242 CD ARG A 18 -0.879 13.140 4.232 1.00 25.00 C ATOM 243 NE ARG A 18 -1.019 12.609 5.605 1.00 25.00 N ATOM 244 CZ ARG A 18 -0.325 13.007 6.676 1.00 25.00 C ATOM 245 NH1 ARG A 18 -0.537 12.417 7.809 1.00 25.00 N ATOM 246 NH2 ARG A 18 0.575 13.953 6.665 1.00 25.00 N ATOM 0 H ARG A 18 -2.006 15.511 0.117 1.00 25.00 H new ATOM 0 HA ARG A 18 -3.249 16.306 2.625 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -2.555 13.921 2.025 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -0.884 14.452 2.023 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -1.368 15.217 4.483 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.764 14.164 4.367 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -1.121 12.353 3.518 1.00 25.00 H new ATOM 0 HD3 ARG A 18 0.161 13.417 4.060 1.00 25.00 H new ATOM 0 HE ARG A 18 -1.709 11.871 5.748 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -1.223 11.664 7.872 1.00 25.00 H new ATOM 0 HH12 ARG A 18 -0.018 12.705 8.639 1.00 25.00 H new ATOM 0 HH21 ARG A 18 0.789 14.444 5.797 1.00 25.00 H new ATOM 0 HH22 ARG A 18 1.064 14.201 7.525 1.00 25.00 H new ATOM 260 N GLU A 19 -0.169 17.095 1.777 1.00 25.00 N ATOM 261 CA GLU A 19 1.003 17.897 2.131 1.00 25.00 C ATOM 262 C GLU A 19 1.003 19.267 1.460 1.00 25.00 C ATOM 263 O GLU A 19 0.424 19.450 0.392 1.00 25.00 O ATOM 264 CB GLU A 19 2.259 17.176 1.727 1.00 25.00 C ATOM 265 CG GLU A 19 2.457 15.859 2.461 1.00 25.00 C ATOM 266 CD GLU A 19 2.514 16.082 3.965 1.00 25.00 C ATOM 267 OE1 GLU A 19 1.731 15.443 4.685 1.00 25.00 O ATOM 268 OE2 GLU A 19 3.271 16.985 4.387 1.00 25.00 O ATOM 0 H GLU A 19 -0.094 16.608 0.884 1.00 25.00 H new ATOM 0 HA GLU A 19 0.964 18.044 3.210 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.232 16.986 0.654 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.117 17.822 1.915 1.00 25.00 H new ATOM 0 HG2 GLU A 19 1.641 15.177 2.221 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.379 15.385 2.124 1.00 25.00 H new ATOM 275 N ARG A 20 1.697 20.212 2.079 1.00 25.00 N ATOM 276 CA ARG A 20 1.750 21.583 1.582 1.00 25.00 C ATOM 277 C ARG A 20 2.516 21.780 0.280 1.00 25.00 C ATOM 278 O ARG A 20 2.093 22.535 -0.584 1.00 25.00 O ATOM 279 CB ARG A 20 2.418 22.483 2.664 1.00 25.00 C ATOM 280 CG ARG A 20 2.294 23.959 2.407 1.00 25.00 C ATOM 281 CD ARG A 20 0.899 24.433 2.700 1.00 25.00 C ATOM 282 NE ARG A 20 0.741 25.885 2.488 1.00 25.00 N ATOM 283 CZ ARG A 20 -0.359 26.567 2.767 1.00 25.00 C ATOM 284 NH1 ARG A 20 -1.416 25.971 3.255 1.00 25.00 N ATOM 285 NH2 ARG A 20 -0.401 27.852 2.518 1.00 25.00 N ATOM 0 H ARG A 20 2.235 20.054 2.931 1.00 25.00 H new ATOM 0 HA ARG A 20 0.715 21.852 1.373 1.00 25.00 H new ATOM 0 HB2 ARG A 20 1.973 22.257 3.633 1.00 25.00 H new ATOM 0 HB3 ARG A 20 3.475 22.226 2.731 1.00 25.00 H new ATOM 0 HG2 ARG A 20 3.006 24.502 3.028 1.00 25.00 H new ATOM 0 HG3 ARG A 20 2.546 24.175 1.369 1.00 25.00 H new ATOM 0 HD2 ARG A 20 0.195 23.897 2.063 1.00 25.00 H new ATOM 0 HD3 ARG A 20 0.645 24.190 3.732 1.00 25.00 H new ATOM 0 HE ARG A 20 1.533 26.398 2.100 1.00 25.00 H new ATOM 0 HH11 ARG A 20 -1.401 24.966 3.426 1.00 25.00 H new ATOM 0 HH12 ARG A 20 -2.255 26.512 3.464 1.00 25.00 H new ATOM 0 HH21 ARG A 20 0.410 28.320 2.112 1.00 25.00 H new ATOM 0 HH22 ARG A 20 -1.244 28.385 2.730 1.00 25.00 H new ATOM 299 N SER A 21 3.701 21.190 0.215 1.00 25.00 N ATOM 300 CA SER A 21 4.675 21.488 -0.849 1.00 25.00 C ATOM 301 C SER A 21 5.267 20.287 -1.553 1.00 25.00 C ATOM 302 O SER A 21 6.363 20.358 -2.130 1.00 25.00 O ATOM 303 CB SER A 21 5.812 22.283 -0.218 1.00 25.00 C ATOM 304 OG SER A 21 5.271 23.273 0.635 1.00 25.00 O ATOM 0 H SER A 21 4.022 20.495 0.889 1.00 25.00 H new ATOM 0 HA SER A 21 4.129 22.033 -1.619 1.00 25.00 H new ATOM 0 HB2 SER A 21 6.467 21.619 0.346 1.00 25.00 H new ATOM 0 HB3 SER A 21 6.421 22.748 -0.994 1.00 25.00 H new ATOM 0 HG SER A 21 5.999 23.786 1.044 1.00 25.00 H new ATOM 310 N SER A 22 4.595 19.160 -1.476 1.00 25.00 N ATOM 311 CA SER A 22 5.125 17.948 -2.098 1.00 25.00 C ATOM 312 C SER A 22 4.245 17.600 -3.272 1.00 25.00 C ATOM 313 O SER A 22 3.121 18.060 -3.382 1.00 25.00 O ATOM 314 CB SER A 22 5.204 16.773 -1.128 1.00 25.00 C ATOM 315 OG SER A 22 3.921 16.279 -0.813 1.00 25.00 O ATOM 0 H SER A 22 3.699 19.048 -1.002 1.00 25.00 H new ATOM 0 HA SER A 22 6.147 18.144 -2.421 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.805 15.976 -1.567 1.00 25.00 H new ATOM 0 HB3 SER A 22 5.709 17.087 -0.215 1.00 25.00 H new ATOM 0 HG SER A 22 4.004 15.526 -0.191 1.00 25.00 H new ATOM 321 N PHE A 23 4.755 16.741 -4.126 1.00 25.00 N ATOM 322 CA PHE A 23 4.027 16.281 -5.288 1.00 25.00 C ATOM 323 C PHE A 23 4.192 14.793 -5.398 1.00 25.00 C ATOM 324 O PHE A 23 5.071 14.181 -4.779 1.00 25.00 O ATOM 325 CB PHE A 23 4.584 16.928 -6.573 1.00 25.00 C ATOM 326 CG PHE A 23 6.064 16.856 -6.707 1.00 25.00 C ATOM 327 CD1 PHE A 23 6.868 17.968 -6.481 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.678 15.646 -7.087 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.263 17.899 -6.628 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.094 15.567 -7.231 1.00 25.00 C ATOM 331 CZ PHE A 23 8.874 16.690 -7.010 1.00 25.00 C ATOM 0 H PHE A 23 5.689 16.341 -4.034 1.00 25.00 H new ATOM 0 HA PHE A 23 2.978 16.554 -5.177 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.129 16.442 -7.436 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.280 17.974 -6.599 1.00 25.00 H new ATOM 0 HD1 PHE A 23 6.411 18.902 -6.187 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.071 14.772 -7.271 1.00 25.00 H new ATOM 0 HE1 PHE A 23 8.868 18.775 -6.448 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.558 14.633 -7.512 1.00 25.00 H new ATOM 0 HZ PHE A 23 9.946 16.638 -7.130 1.00 25.00 H new ATOM 341 N TYR A 24 3.358 14.219 -6.244 1.00 25.00 N ATOM 342 CA TYR A 24 3.498 12.848 -6.645 1.00 25.00 C ATOM 343 C TYR A 24 4.226 13.001 -7.973 1.00 25.00 C ATOM 344 O TYR A 24 3.985 13.983 -8.668 1.00 25.00 O ATOM 345 CB TYR A 24 2.138 12.211 -6.882 1.00 25.00 C ATOM 346 CG TYR A 24 1.292 12.064 -5.645 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.640 11.143 -4.637 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.122 12.836 -5.484 1.00 25.00 C ATOM 349 CE1 TYR A 24 0.821 10.968 -3.498 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.703 12.658 -4.342 1.00 25.00 C ATOM 351 CZ TYR A 24 -0.346 11.723 -3.355 1.00 25.00 C ATOM 352 OH TYR A 24 -1.151 11.552 -2.238 1.00 25.00 O ATOM 0 H TYR A 24 2.565 14.699 -6.669 1.00 25.00 H new ATOM 0 HA TYR A 24 4.003 12.222 -5.909 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.592 12.811 -7.611 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.285 11.226 -7.325 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.545 10.562 -4.736 1.00 25.00 H new ATOM 0 HD2 TYR A 24 -0.147 13.566 -6.233 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.097 10.251 -2.739 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.605 13.241 -4.232 1.00 25.00 H new ATOM 0 HH TYR A 24 -0.599 11.281 -1.475 1.00 25.00 H new ATOM 362 N SER A 25 5.092 12.082 -8.303 1.00 25.00 N ATOM 363 CA SER A 25 5.860 12.146 -9.532 1.00 25.00 C ATOM 364 C SER A 25 5.841 10.762 -10.151 1.00 25.00 C ATOM 365 O SER A 25 5.959 9.762 -9.443 1.00 25.00 O ATOM 366 CB SER A 25 7.307 12.545 -9.233 1.00 25.00 C ATOM 367 OG SER A 25 8.093 12.539 -10.405 1.00 25.00 O ATOM 0 H SER A 25 5.291 11.262 -7.730 1.00 25.00 H new ATOM 0 HA SER A 25 5.431 12.887 -10.207 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.327 13.538 -8.784 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.733 11.856 -8.503 1.00 25.00 H new ATOM 0 HG SER A 25 9.012 12.799 -10.184 1.00 25.00 H new ATOM 373 N CYS A 26 5.676 10.710 -11.470 1.00 25.00 N ATOM 374 CA CYS A 26 5.676 9.445 -12.191 1.00 25.00 C ATOM 375 C CYS A 26 6.883 9.402 -13.101 1.00 25.00 C ATOM 376 O CYS A 26 7.092 10.313 -13.900 1.00 25.00 O ATOM 377 CB CYS A 26 4.423 9.312 -13.044 1.00 25.00 C ATOM 378 SG CYS A 26 3.076 8.453 -12.183 1.00 25.00 S ATOM 0 H CYS A 26 5.541 11.531 -12.060 1.00 25.00 H new ATOM 0 HA CYS A 26 5.703 8.629 -11.468 1.00 25.00 H new ATOM 0 HB2 CYS A 26 4.084 10.304 -13.341 1.00 25.00 H new ATOM 0 HB3 CYS A 26 4.667 8.771 -13.959 1.00 25.00 H new ATOM 383 N ALA A 27 7.700 8.369 -12.941 1.00 25.00 N ATOM 384 CA ALA A 27 8.924 8.179 -13.730 1.00 25.00 C ATOM 385 C ALA A 27 8.928 6.739 -14.228 1.00 25.00 C ATOM 386 O ALA A 27 8.951 5.817 -13.409 1.00 25.00 O ATOM 387 CB ALA A 27 10.181 8.507 -12.857 1.00 25.00 C ATOM 0 H ALA A 27 7.536 7.631 -12.257 1.00 25.00 H new ATOM 0 HA ALA A 27 8.955 8.854 -14.585 1.00 25.00 H new ATOM 0 HB1 ALA A 27 11.084 8.363 -13.451 1.00 25.00 H new ATOM 0 HB2 ALA A 27 10.130 9.542 -12.520 1.00 25.00 H new ATOM 0 HB3 ALA A 27 10.206 7.844 -11.992 1.00 25.00 H new ATOM 393 N ALA A 28 8.813 6.561 -15.551 1.00 25.00 N ATOM 394 CA ALA A 28 8.745 5.247 -16.186 1.00 25.00 C ATOM 395 C ALA A 28 7.636 4.419 -15.525 1.00 25.00 C ATOM 396 O ALA A 28 7.778 3.223 -15.304 1.00 25.00 O ATOM 397 CB ALA A 28 10.120 4.522 -16.073 1.00 25.00 C ATOM 0 H ALA A 28 8.764 7.336 -16.213 1.00 25.00 H new ATOM 0 HA ALA A 28 8.513 5.366 -17.244 1.00 25.00 H new ATOM 0 HB1 ALA A 28 10.056 3.544 -16.550 1.00 25.00 H new ATOM 0 HB2 ALA A 28 10.887 5.118 -16.568 1.00 25.00 H new ATOM 0 HB3 ALA A 28 10.380 4.397 -15.022 1.00 25.00 H new ATOM 403 N GLY A 29 6.527 5.074 -15.191 1.00 25.00 N ATOM 404 CA GLY A 29 5.382 4.381 -14.627 1.00 25.00 C ATOM 405 C GLY A 29 5.556 3.877 -13.195 1.00 25.00 C ATOM 406 O GLY A 29 4.756 3.061 -12.704 1.00 25.00 O ATOM 0 H GLY A 29 6.401 6.080 -15.302 1.00 25.00 H new ATOM 0 HA2 GLY A 29 4.523 5.052 -14.655 1.00 25.00 H new ATOM 0 HA3 GLY A 29 5.143 3.531 -15.266 1.00 25.00 H new ATOM 410 N ARG A 30 6.581 4.382 -12.515 1.00 25.00 N ATOM 411 CA ARG A 30 6.800 4.094 -11.093 1.00 25.00 C ATOM 412 C ARG A 30 6.612 5.375 -10.303 1.00 25.00 C ATOM 413 O ARG A 30 6.816 6.466 -10.823 1.00 25.00 O ATOM 414 CB ARG A 30 8.189 3.502 -10.888 1.00 25.00 C ATOM 415 CG ARG A 30 8.470 2.190 -11.646 1.00 25.00 C ATOM 416 CD ARG A 30 7.605 0.992 -11.242 1.00 25.00 C ATOM 417 NE ARG A 30 7.829 -0.150 -12.152 1.00 25.00 N ATOM 418 CZ ARG A 30 7.109 -0.402 -13.249 1.00 25.00 C ATOM 419 NH1 ARG A 30 7.389 -1.433 -13.996 1.00 25.00 N ATOM 420 NH2 ARG A 30 6.119 0.369 -13.619 1.00 25.00 N ATOM 0 H ARG A 30 7.281 4.999 -12.927 1.00 25.00 H new ATOM 0 HA ARG A 30 6.079 3.357 -10.739 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.929 4.242 -11.192 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.335 3.324 -9.823 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.333 2.371 -12.712 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.517 1.925 -11.500 1.00 25.00 H new ATOM 0 HD2 ARG A 30 7.839 0.698 -10.219 1.00 25.00 H new ATOM 0 HD3 ARG A 30 6.553 1.276 -11.260 1.00 25.00 H new ATOM 0 HE ARG A 30 8.588 -0.793 -11.927 1.00 25.00 H new ATOM 0 HH11 ARG A 30 8.160 -2.051 -13.744 1.00 25.00 H new ATOM 0 HH12 ARG A 30 6.837 -1.622 -14.833 1.00 25.00 H new ATOM 0 HH21 ARG A 30 5.877 1.190 -13.064 1.00 25.00 H new ATOM 0 HH22 ARG A 30 5.589 0.149 -14.462 1.00 25.00 H new ATOM 434 N LEU A 31 6.152 5.233 -9.072 1.00 25.00 N ATOM 435 CA LEU A 31 5.789 6.383 -8.242 1.00 25.00 C ATOM 436 C LEU A 31 6.932 6.875 -7.332 1.00 25.00 C ATOM 437 O LEU A 31 7.490 6.111 -6.569 1.00 25.00 O ATOM 438 CB LEU A 31 4.618 5.976 -7.324 1.00 25.00 C ATOM 439 CG LEU A 31 4.130 7.041 -6.320 1.00 25.00 C ATOM 440 CD1 LEU A 31 3.619 8.275 -7.023 1.00 25.00 C ATOM 441 CD2 LEU A 31 3.008 6.438 -5.487 1.00 25.00 C ATOM 0 H LEU A 31 6.018 4.330 -8.618 1.00 25.00 H new ATOM 0 HA LEU A 31 5.534 7.192 -8.927 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.775 5.688 -7.953 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.915 5.090 -6.764 1.00 25.00 H new ATOM 0 HG LEU A 31 4.969 7.338 -5.691 1.00 25.00 H new ATOM 0 HD11 LEU A 31 3.284 9.003 -6.284 1.00 25.00 H new ATOM 0 HD12 LEU A 31 4.419 8.709 -7.623 1.00 25.00 H new ATOM 0 HD13 LEU A 31 2.785 8.006 -7.671 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.649 7.177 -4.770 1.00 25.00 H new ATOM 0 HD22 LEU A 31 2.189 6.140 -6.141 1.00 25.00 H new ATOM 0 HD23 LEU A 31 3.381 5.565 -4.952 1.00 25.00 H new ATOM 453 N PHE A 32 7.161 8.179 -7.385 1.00 25.00 N ATOM 454 CA PHE A 32 8.027 8.871 -6.470 1.00 25.00 C ATOM 455 C PHE A 32 7.178 9.889 -5.746 1.00 25.00 C ATOM 456 O PHE A 32 6.332 10.538 -6.361 1.00 25.00 O ATOM 457 CB PHE A 32 9.184 9.583 -7.202 1.00 25.00 C ATOM 458 CG PHE A 32 10.242 8.641 -7.685 1.00 25.00 C ATOM 459 CD1 PHE A 32 10.056 7.891 -8.866 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.430 8.487 -6.941 1.00 25.00 C ATOM 461 CE1 PHE A 32 11.059 6.960 -9.314 1.00 25.00 C ATOM 462 CE2 PHE A 32 12.443 7.572 -7.355 1.00 25.00 C ATOM 463 CZ PHE A 32 12.267 6.789 -8.542 1.00 25.00 C ATOM 0 H PHE A 32 6.736 8.789 -8.083 1.00 25.00 H new ATOM 0 HA PHE A 32 8.479 8.158 -5.781 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.783 10.136 -8.052 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.636 10.314 -6.531 1.00 25.00 H new ATOM 0 HD1 PHE A 32 9.150 8.017 -9.441 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.575 9.071 -6.044 1.00 25.00 H new ATOM 0 HE1 PHE A 32 10.909 6.394 -10.221 1.00 25.00 H new ATOM 0 HE2 PHE A 32 13.346 7.469 -6.772 1.00 25.00 H new ATOM 0 HZ PHE A 32 13.024 6.084 -8.853 1.00 25.00 H new ATOM 473 N GLN A 33 7.365 10.030 -4.445 1.00 25.00 N ATOM 474 CA GLN A 33 6.663 11.035 -3.656 1.00 25.00 C ATOM 475 C GLN A 33 7.754 11.951 -3.106 1.00 25.00 C ATOM 476 O GLN A 33 8.585 11.523 -2.325 1.00 25.00 O ATOM 477 CB GLN A 33 5.879 10.366 -2.520 1.00 25.00 C ATOM 478 CG GLN A 33 4.748 9.442 -2.996 1.00 25.00 C ATOM 479 CD GLN A 33 4.030 8.760 -1.841 1.00 25.00 C ATOM 480 OE1 GLN A 33 4.592 8.561 -0.795 1.00 25.00 O ATOM 481 NE2 GLN A 33 2.782 8.399 -2.042 1.00 25.00 N ATOM 0 H GLN A 33 8.007 9.452 -3.903 1.00 25.00 H new ATOM 0 HA GLN A 33 5.937 11.592 -4.249 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.571 9.789 -1.907 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.456 11.140 -1.880 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.029 10.021 -3.576 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.158 8.684 -3.663 1.00 25.00 H new ATOM 0 HE21 GLN A 33 2.336 8.583 -2.941 1.00 25.00 H new ATOM 0 HE22 GLN A 33 2.259 7.935 -1.299 1.00 25.00 H new ATOM 490 N GLN A 34 7.828 13.172 -3.617 1.00 25.00 N ATOM 491 CA GLN A 34 8.965 14.044 -3.366 1.00 25.00 C ATOM 492 C GLN A 34 8.507 15.476 -3.139 1.00 25.00 C ATOM 493 O GLN A 34 7.373 15.827 -3.443 1.00 25.00 O ATOM 494 CB GLN A 34 9.869 14.014 -4.602 1.00 25.00 C ATOM 495 CG GLN A 34 10.861 12.866 -4.623 1.00 25.00 C ATOM 496 CD GLN A 34 12.278 13.344 -4.461 1.00 25.00 C ATOM 497 OE1 GLN A 34 12.797 13.408 -3.340 1.00 25.00 O ATOM 498 NE2 GLN A 34 12.912 13.707 -5.540 1.00 25.00 N ATOM 0 H GLN A 34 7.108 13.583 -4.212 1.00 25.00 H new ATOM 0 HA GLN A 34 9.492 13.698 -2.477 1.00 25.00 H new ATOM 0 HB2 GLN A 34 9.244 13.955 -5.493 1.00 25.00 H new ATOM 0 HB3 GLN A 34 10.418 14.954 -4.659 1.00 25.00 H new ATOM 0 HG2 GLN A 34 10.621 12.165 -3.824 1.00 25.00 H new ATOM 0 HG3 GLN A 34 10.767 12.322 -5.563 1.00 25.00 H new ATOM 0 HE21 GLN A 34 12.453 13.641 -6.448 1.00 25.00 H new ATOM 0 HE22 GLN A 34 13.868 14.058 -5.476 1.00 25.00 H new ATOM 507 N SER A 35 9.399 16.289 -2.614 1.00 25.00 N ATOM 508 CA SER A 35 9.098 17.680 -2.337 1.00 25.00 C ATOM 509 C SER A 35 9.706 18.609 -3.390 1.00 25.00 C ATOM 510 O SER A 35 10.640 18.260 -4.095 1.00 25.00 O ATOM 511 CB SER A 35 9.691 18.023 -0.965 1.00 25.00 C ATOM 512 OG SER A 35 11.084 17.688 -0.951 1.00 25.00 O ATOM 0 H SER A 35 10.348 16.008 -2.368 1.00 25.00 H new ATOM 0 HA SER A 35 8.017 17.820 -2.354 1.00 25.00 H new ATOM 0 HB2 SER A 35 9.559 19.084 -0.755 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.166 17.475 -0.182 1.00 25.00 H new ATOM 0 HG SER A 35 11.465 17.908 -0.075 1.00 25.00 H new ATOM 518 N CYS A 36 9.207 19.840 -3.395 1.00 25.00 N ATOM 519 CA CYS A 36 9.846 20.925 -4.139 1.00 25.00 C ATOM 520 C CYS A 36 10.051 22.038 -3.097 1.00 25.00 C ATOM 521 O CYS A 36 9.111 22.741 -2.750 1.00 25.00 O ATOM 522 CB CYS A 36 8.954 21.413 -5.304 1.00 25.00 C ATOM 523 SG CYS A 36 9.755 21.192 -6.938 1.00 25.00 S ATOM 0 H CYS A 36 8.362 20.114 -2.893 1.00 25.00 H new ATOM 0 HA CYS A 36 10.782 20.609 -4.599 1.00 25.00 H new ATOM 0 HB2 CYS A 36 8.010 20.868 -5.288 1.00 25.00 H new ATOM 0 HB3 CYS A 36 8.716 22.467 -5.159 1.00 25.00 H new ATOM 528 N PRO A 37 11.258 22.106 -2.496 1.00 25.00 N ATOM 529 CA PRO A 37 11.498 23.073 -1.412 1.00 25.00 C ATOM 530 C PRO A 37 12.058 24.417 -1.911 1.00 25.00 C ATOM 531 O PRO A 37 11.403 25.138 -2.695 1.00 25.00 O ATOM 532 CB PRO A 37 12.464 22.306 -0.502 1.00 25.00 C ATOM 533 CG PRO A 37 13.322 21.482 -1.494 1.00 25.00 C ATOM 534 CD PRO A 37 12.468 21.278 -2.743 1.00 25.00 C ATOM 0 HA PRO A 37 10.587 23.384 -0.900 1.00 25.00 H new ATOM 0 HB2 PRO A 37 13.078 22.983 0.092 1.00 25.00 H new ATOM 0 HB3 PRO A 37 11.930 21.662 0.197 1.00 25.00 H new ATOM 0 HG2 PRO A 37 14.245 22.008 -1.737 1.00 25.00 H new ATOM 0 HG3 PRO A 37 13.606 20.524 -1.058 1.00 25.00 H new ATOM 0 HD2 PRO A 37 12.994 21.599 -3.642 1.00 25.00 H new ATOM 0 HD3 PRO A 37 12.211 20.228 -2.882 1.00 25.00 H new ATOM 542 N THR A 38 13.244 24.792 -1.469 1.00 25.00 N ATOM 543 CA THR A 38 13.853 26.046 -1.857 1.00 25.00 C ATOM 544 C THR A 38 14.162 26.098 -3.344 1.00 25.00 C ATOM 545 O THR A 38 14.593 25.123 -3.941 1.00 25.00 O ATOM 546 CB THR A 38 15.172 26.258 -1.090 1.00 25.00 C ATOM 547 OG1 THR A 38 15.791 24.990 -0.859 1.00 25.00 O ATOM 548 CG2 THR A 38 14.922 26.894 0.265 1.00 25.00 C ATOM 0 H THR A 38 13.811 24.234 -0.831 1.00 25.00 H new ATOM 0 HA THR A 38 13.133 26.829 -1.618 1.00 25.00 H new ATOM 0 HB THR A 38 15.806 26.911 -1.690 1.00 25.00 H new ATOM 0 HG1 THR A 38 16.632 25.120 -0.373 1.00 25.00 H new ATOM 0 HG21 THR A 38 15.871 27.031 0.783 1.00 25.00 H new ATOM 0 HG22 THR A 38 14.439 27.862 0.129 1.00 25.00 H new ATOM 0 HG23 THR A 38 14.276 26.246 0.857 1.00 25.00 H new ATOM 556 N GLY A 39 13.976 27.271 -3.934 1.00 25.00 N ATOM 557 CA GLY A 39 14.353 27.499 -5.307 1.00 25.00 C ATOM 558 C GLY A 39 13.409 26.980 -6.374 1.00 25.00 C ATOM 559 O GLY A 39 13.614 27.250 -7.558 1.00 25.00 O ATOM 0 H GLY A 39 13.562 28.081 -3.472 1.00 25.00 H new ATOM 0 HA2 GLY A 39 14.471 28.573 -5.452 1.00 25.00 H new ATOM 0 HA3 GLY A 39 15.331 27.046 -5.470 1.00 25.00 H new ATOM 563 N LEU A 40 12.393 26.227 -5.994 1.00 25.00 N ATOM 564 CA LEU A 40 11.526 25.560 -6.971 1.00 25.00 C ATOM 565 C LEU A 40 10.057 25.778 -6.661 1.00 25.00 C ATOM 566 O LEU A 40 9.651 25.800 -5.502 1.00 25.00 O ATOM 567 CB LEU A 40 11.825 24.047 -6.978 1.00 25.00 C ATOM 568 CG LEU A 40 13.258 23.610 -7.304 1.00 25.00 C ATOM 569 CD1 LEU A 40 13.397 22.110 -7.059 1.00 25.00 C ATOM 570 CD2 LEU A 40 13.675 23.951 -8.759 1.00 25.00 C ATOM 0 H LEU A 40 12.141 26.057 -5.020 1.00 25.00 H new ATOM 0 HA LEU A 40 11.733 25.992 -7.950 1.00 25.00 H new ATOM 0 HB2 LEU A 40 11.567 23.649 -5.997 1.00 25.00 H new ATOM 0 HB3 LEU A 40 11.157 23.576 -7.699 1.00 25.00 H new ATOM 0 HG LEU A 40 13.927 24.166 -6.647 1.00 25.00 H new ATOM 0 HD11 LEU A 40 14.415 21.796 -7.290 1.00 25.00 H new ATOM 0 HD12 LEU A 40 13.178 21.890 -6.014 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.697 21.571 -7.698 1.00 25.00 H new ATOM 0 HD21 LEU A 40 14.698 23.618 -8.932 1.00 25.00 H new ATOM 0 HD22 LEU A 40 13.007 23.446 -9.457 1.00 25.00 H new ATOM 0 HD23 LEU A 40 13.613 25.028 -8.912 1.00 25.00 H new ATOM 582 N VAL A 41 9.250 25.940 -7.704 1.00 25.00 N ATOM 583 CA VAL A 41 7.801 26.142 -7.548 1.00 25.00 C ATOM 584 C VAL A 41 7.071 25.188 -8.511 1.00 25.00 C ATOM 585 O VAL A 41 7.603 24.829 -9.554 1.00 25.00 O ATOM 586 CB VAL A 41 7.409 27.647 -7.816 1.00 25.00 C ATOM 587 CG1 VAL A 41 7.948 28.552 -6.707 1.00 25.00 C ATOM 588 CG2 VAL A 41 7.923 28.119 -9.181 1.00 25.00 C ATOM 0 H VAL A 41 9.569 25.936 -8.673 1.00 25.00 H new ATOM 0 HA VAL A 41 7.503 25.918 -6.524 1.00 25.00 H new ATOM 0 HB VAL A 41 6.321 27.710 -7.821 1.00 25.00 H new ATOM 0 HG11 VAL A 41 7.667 29.585 -6.911 1.00 25.00 H new ATOM 0 HG12 VAL A 41 7.528 28.244 -5.750 1.00 25.00 H new ATOM 0 HG13 VAL A 41 9.034 28.473 -6.669 1.00 25.00 H new ATOM 0 HG21 VAL A 41 7.638 29.159 -9.337 1.00 25.00 H new ATOM 0 HG22 VAL A 41 9.009 28.032 -9.211 1.00 25.00 H new ATOM 0 HG23 VAL A 41 7.488 27.501 -9.967 1.00 25.00 H new ATOM 598 N PHE A 42 5.872 24.757 -8.130 1.00 25.00 N ATOM 599 CA PHE A 42 5.087 23.834 -8.949 1.00 25.00 C ATOM 600 C PHE A 42 4.174 24.552 -9.926 1.00 25.00 C ATOM 601 O PHE A 42 3.408 25.452 -9.558 1.00 25.00 O ATOM 602 CB PHE A 42 4.207 22.925 -8.063 1.00 25.00 C ATOM 603 CG PHE A 42 3.320 21.981 -8.861 1.00 25.00 C ATOM 604 CD1 PHE A 42 3.869 21.135 -9.825 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.924 21.936 -8.649 1.00 25.00 C ATOM 606 CE1 PHE A 42 3.069 20.267 -10.592 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.086 21.047 -9.397 1.00 25.00 C ATOM 608 CZ PHE A 42 1.665 20.224 -10.377 1.00 25.00 C ATOM 0 H PHE A 42 5.421 25.032 -7.258 1.00 25.00 H new ATOM 0 HA PHE A 42 5.813 23.244 -9.509 1.00 25.00 H new ATOM 0 HB2 PHE A 42 4.849 22.339 -7.405 1.00 25.00 H new ATOM 0 HB3 PHE A 42 3.581 23.548 -7.425 1.00 25.00 H new ATOM 0 HD1 PHE A 42 4.937 21.146 -9.987 1.00 25.00 H new ATOM 0 HD2 PHE A 42 1.480 22.585 -7.908 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.521 19.635 -11.342 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.023 21.010 -9.210 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.046 19.562 -10.964 1.00 25.00 H new ATOM 618 N SER A 43 4.199 24.110 -11.178 1.00 25.00 N ATOM 619 CA SER A 43 3.366 24.664 -12.221 1.00 25.00 C ATOM 620 C SER A 43 2.361 23.634 -12.671 1.00 25.00 C ATOM 621 O SER A 43 2.680 22.692 -13.400 1.00 25.00 O ATOM 622 CB SER A 43 4.229 25.115 -13.414 1.00 25.00 C ATOM 623 OG SER A 43 3.443 25.709 -14.428 1.00 25.00 O ATOM 0 H SER A 43 4.804 23.352 -11.493 1.00 25.00 H new ATOM 0 HA SER A 43 2.838 25.532 -11.827 1.00 25.00 H new ATOM 0 HB2 SER A 43 4.981 25.826 -13.072 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.764 24.257 -13.822 1.00 25.00 H new ATOM 0 HG SER A 43 4.021 25.985 -15.170 1.00 25.00 H new ATOM 629 N ASN A 44 1.130 23.794 -12.212 1.00 25.00 N ATOM 630 CA ASN A 44 0.040 22.876 -12.541 1.00 25.00 C ATOM 631 C ASN A 44 -0.329 22.837 -14.035 1.00 25.00 C ATOM 632 O ASN A 44 -0.832 21.835 -14.501 1.00 25.00 O ATOM 633 CB ASN A 44 -1.208 23.266 -11.713 1.00 25.00 C ATOM 634 CG ASN A 44 -1.950 22.044 -11.190 1.00 25.00 C ATOM 635 OD1 ASN A 44 -2.003 21.011 -11.838 1.00 25.00 O ATOM 636 ND2 ASN A 44 -2.542 22.170 -10.031 1.00 25.00 N ATOM 0 H ASN A 44 0.854 24.562 -11.601 1.00 25.00 H new ATOM 0 HA ASN A 44 0.393 21.875 -12.294 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -0.905 23.893 -10.874 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -1.881 23.862 -12.330 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -3.070 21.389 -9.640 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -2.476 23.049 -9.517 1.00 25.00 H new ATOM 643 N SER A 45 -0.103 23.925 -14.757 1.00 25.00 N ATOM 644 CA SER A 45 -0.490 24.009 -16.169 1.00 25.00 C ATOM 645 C SER A 45 0.329 23.072 -17.042 1.00 25.00 C ATOM 646 O SER A 45 -0.189 22.515 -17.989 1.00 25.00 O ATOM 647 CB SER A 45 -0.330 25.434 -16.686 1.00 25.00 C ATOM 648 OG SER A 45 0.959 25.901 -16.392 1.00 25.00 O ATOM 0 H SER A 45 0.346 24.765 -14.393 1.00 25.00 H new ATOM 0 HA SER A 45 -1.536 23.708 -16.226 1.00 25.00 H new ATOM 0 HB2 SER A 45 -0.501 25.462 -17.762 1.00 25.00 H new ATOM 0 HB3 SER A 45 -1.076 26.083 -16.228 1.00 25.00 H new ATOM 0 HG SER A 45 1.060 26.817 -16.727 1.00 25.00 H new ATOM 654 N CYS A 46 1.608 22.888 -16.725 1.00 25.00 N ATOM 655 CA CYS A 46 2.469 21.974 -17.498 1.00 25.00 C ATOM 656 C CYS A 46 2.727 20.679 -16.763 1.00 25.00 C ATOM 657 O CYS A 46 3.332 19.755 -17.309 1.00 25.00 O ATOM 658 CB CYS A 46 3.816 22.647 -17.787 1.00 25.00 C ATOM 659 SG CYS A 46 4.955 22.726 -16.364 1.00 25.00 S ATOM 0 H CYS A 46 2.076 23.352 -15.946 1.00 25.00 H new ATOM 0 HA CYS A 46 1.944 21.746 -18.426 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.308 22.110 -18.598 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.631 23.661 -18.142 1.00 25.00 H new ATOM 664 N LYS A 47 2.282 20.653 -15.504 1.00 25.00 N ATOM 665 CA LYS A 47 2.511 19.553 -14.545 1.00 25.00 C ATOM 666 C LYS A 47 4.000 19.285 -14.281 1.00 25.00 C ATOM 667 O LYS A 47 4.430 18.133 -14.214 1.00 25.00 O ATOM 668 CB LYS A 47 1.794 18.249 -14.986 1.00 25.00 C ATOM 669 CG LYS A 47 0.264 18.332 -15.138 1.00 25.00 C ATOM 670 CD LYS A 47 -0.434 18.446 -13.780 1.00 25.00 C ATOM 671 CE LYS A 47 -1.947 18.403 -13.886 1.00 25.00 C ATOM 672 NZ LYS A 47 -2.457 19.548 -14.710 1.00 25.00 N ATOM 0 H LYS A 47 1.735 21.416 -15.106 1.00 25.00 H new ATOM 0 HA LYS A 47 2.075 19.887 -13.603 1.00 25.00 H new ATOM 0 HB2 LYS A 47 2.216 17.932 -15.939 1.00 25.00 H new ATOM 0 HB3 LYS A 47 2.024 17.469 -14.260 1.00 25.00 H new ATOM 0 HG2 LYS A 47 0.006 19.194 -15.754 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -0.098 17.447 -15.660 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -0.097 17.634 -13.135 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -0.135 19.378 -13.301 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -2.258 17.460 -14.335 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -2.387 18.442 -12.889 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -3.344 19.904 -14.299 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -1.750 20.311 -14.720 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -2.632 19.225 -15.683 1.00 25.00 H new ATOM 686 N CYS A 48 4.739 20.369 -14.085 1.00 25.00 N ATOM 687 CA CYS A 48 6.184 20.336 -13.822 1.00 25.00 C ATOM 688 C CYS A 48 6.533 21.157 -12.587 1.00 25.00 C ATOM 689 O CYS A 48 5.736 21.989 -12.170 1.00 25.00 O ATOM 690 CB CYS A 48 6.981 20.920 -15.004 1.00 25.00 C ATOM 691 SG CYS A 48 6.062 21.035 -16.560 1.00 25.00 S ATOM 0 H CYS A 48 4.352 21.313 -14.103 1.00 25.00 H new ATOM 0 HA CYS A 48 6.448 19.289 -13.671 1.00 25.00 H new ATOM 0 HB2 CYS A 48 7.331 21.916 -14.731 1.00 25.00 H new ATOM 0 HB3 CYS A 48 7.866 20.305 -15.166 1.00 25.00 H new ATOM 696 N CYS A 49 7.764 21.014 -12.097 1.00 25.00 N ATOM 697 CA CYS A 49 8.310 21.918 -11.077 1.00 25.00 C ATOM 698 C CYS A 49 9.319 22.750 -11.857 1.00 25.00 C ATOM 699 O CYS A 49 10.087 22.206 -12.639 1.00 25.00 O ATOM 700 CB CYS A 49 9.003 21.175 -9.905 1.00 25.00 C ATOM 701 SG CYS A 49 8.242 21.472 -8.282 1.00 25.00 S ATOM 0 H CYS A 49 8.407 20.278 -12.390 1.00 25.00 H new ATOM 0 HA CYS A 49 7.525 22.502 -10.597 1.00 25.00 H new ATOM 0 HB2 CYS A 49 8.990 20.104 -10.110 1.00 25.00 H new ATOM 0 HB3 CYS A 49 10.049 21.479 -9.865 1.00 25.00 H new ATOM 706 N THR A 50 9.268 24.052 -11.682 1.00 25.00 N ATOM 707 CA THR A 50 10.105 24.977 -12.441 1.00 25.00 C ATOM 708 C THR A 50 11.030 25.773 -11.520 1.00 25.00 C ATOM 709 O THR A 50 10.783 25.917 -10.310 1.00 25.00 O ATOM 710 CB THR A 50 9.211 25.948 -13.268 1.00 25.00 C ATOM 711 OG1 THR A 50 8.405 26.713 -12.395 1.00 25.00 O ATOM 712 CG2 THR A 50 8.283 25.160 -14.212 1.00 25.00 C ATOM 0 H THR A 50 8.648 24.507 -11.012 1.00 25.00 H new ATOM 0 HA THR A 50 10.726 24.392 -13.119 1.00 25.00 H new ATOM 0 HB THR A 50 9.864 26.596 -13.853 1.00 25.00 H new ATOM 0 HG1 THR A 50 7.845 27.324 -12.918 1.00 25.00 H new ATOM 0 HG21 THR A 50 7.667 25.856 -14.781 1.00 25.00 H new ATOM 0 HG22 THR A 50 8.884 24.563 -14.898 1.00 25.00 H new ATOM 0 HG23 THR A 50 7.641 24.502 -13.626 1.00 25.00 H new ATOM 720 N TRP A 51 12.098 26.285 -12.105 1.00 25.00 N ATOM 721 CA TRP A 51 13.055 27.089 -11.372 1.00 25.00 C ATOM 722 C TRP A 51 12.418 28.433 -11.012 1.00 25.00 C ATOM 723 O TRP A 51 11.710 29.013 -11.829 1.00 25.00 O ATOM 724 CB TRP A 51 14.269 27.297 -12.293 1.00 25.00 C ATOM 725 CG TRP A 51 15.409 27.968 -11.647 1.00 25.00 C ATOM 726 CD1 TRP A 51 15.523 29.287 -11.372 1.00 25.00 C ATOM 727 CD2 TRP A 51 16.641 27.357 -11.208 1.00 25.00 C ATOM 728 NE1 TRP A 51 16.732 29.559 -10.785 1.00 25.00 N ATOM 729 CE2 TRP A 51 17.448 28.395 -10.660 1.00 25.00 C ATOM 730 CE3 TRP A 51 17.159 26.046 -11.260 1.00 25.00 C ATOM 731 CZ2 TRP A 51 18.745 28.154 -10.168 1.00 25.00 C ATOM 732 CZ3 TRP A 51 18.457 25.804 -10.779 1.00 25.00 C ATOM 733 CH2 TRP A 51 19.250 26.869 -10.236 1.00 25.00 C ATOM 0 H TRP A 51 12.324 26.156 -13.091 1.00 25.00 H new ATOM 0 HA TRP A 51 13.361 26.601 -10.447 1.00 25.00 H new ATOM 0 HB2 TRP A 51 14.597 26.327 -12.667 1.00 25.00 H new ATOM 0 HB3 TRP A 51 13.959 27.884 -13.157 1.00 25.00 H new ATOM 0 HD1 TRP A 51 14.765 30.026 -11.586 1.00 25.00 H new ATOM 0 HE1 TRP A 51 17.049 30.482 -10.488 1.00 25.00 H new ATOM 0 HE3 TRP A 51 16.566 25.239 -11.664 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 19.333 28.956 -9.746 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 18.863 24.804 -10.819 1.00 25.00 H new ATOM 0 HH2 TRP A 51 20.248 26.665 -9.878 1.00 25.00 H new ATOM 744 N ASN A 52 12.632 28.902 -9.793 1.00 25.00 N ATOM 745 CA ASN A 52 12.063 30.172 -9.353 1.00 25.00 C ATOM 746 C ASN A 52 13.088 31.315 -9.430 1.00 25.00 C ATOM 747 O ASN A 52 14.003 31.403 -8.613 1.00 25.00 O ATOM 748 CB ASN A 52 11.594 30.044 -7.920 1.00 25.00 C ATOM 749 CG ASN A 52 10.784 31.244 -7.465 1.00 25.00 C ATOM 750 OD1 ASN A 52 10.026 31.805 -8.234 1.00 25.00 O ATOM 751 ND2 ASN A 52 10.952 31.647 -6.229 1.00 25.00 N ATOM 0 H ASN A 52 13.195 28.425 -9.089 1.00 25.00 H new ATOM 0 HA ASN A 52 11.231 30.407 -10.017 1.00 25.00 H new ATOM 0 HB2 ASN A 52 10.990 29.142 -7.818 1.00 25.00 H new ATOM 0 HB3 ASN A 52 12.459 29.925 -7.267 1.00 25.00 H new ATOM 0 HD21 ASN A 52 10.438 32.457 -5.882 1.00 25.00 H new ATOM 0 HD22 ASN A 52 11.597 31.151 -5.614 1.00 25.00 H new ATOM 758 N GLY A 53 12.941 32.182 -10.426 1.00 25.00 N ATOM 759 CA GLY A 53 13.876 33.301 -10.596 1.00 25.00 C ATOM 760 C GLY A 53 13.459 34.304 -11.665 1.00 25.00 C ATOM 761 O GLY A 53 13.704 35.478 -11.515 1.00 25.00 O ATOM 0 H GLY A 53 12.196 32.138 -11.122 1.00 25.00 H new ATOM 0 HA2 GLY A 53 13.979 33.822 -9.644 1.00 25.00 H new ATOM 0 HA3 GLY A 53 14.859 32.904 -10.849 1.00 25.00 H new ATOM 765 N LEU A 54 12.850 33.846 -12.738 1.00 25.00 N ATOM 766 CA LEU A 54 12.409 34.724 -13.805 1.00 25.00 C ATOM 767 C LEU A 54 11.156 35.457 -13.412 1.00 25.00 C ATOM 768 O LEU A 54 10.157 34.839 -13.027 1.00 25.00 O ATOM 769 CB LEU A 54 12.163 33.892 -15.071 1.00 25.00 C ATOM 770 CG LEU A 54 12.730 34.466 -16.377 1.00 25.00 C ATOM 771 CD1 LEU A 54 13.142 33.311 -17.308 1.00 25.00 C ATOM 772 CD2 LEU A 54 11.702 35.359 -17.075 1.00 25.00 C ATOM 0 H LEU A 54 12.647 32.859 -12.897 1.00 25.00 H new ATOM 0 HA LEU A 54 13.184 35.466 -13.998 1.00 25.00 H new ATOM 0 HB2 LEU A 54 12.590 32.901 -14.918 1.00 25.00 H new ATOM 0 HB3 LEU A 54 11.088 33.761 -15.192 1.00 25.00 H new ATOM 0 HG LEU A 54 13.602 35.075 -16.140 1.00 25.00 H new ATOM 0 HD11 LEU A 54 13.545 33.717 -18.236 1.00 25.00 H new ATOM 0 HD12 LEU A 54 13.902 32.702 -16.818 1.00 25.00 H new ATOM 0 HD13 LEU A 54 12.271 32.694 -17.530 1.00 25.00 H new ATOM 0 HD21 LEU A 54 12.129 35.753 -17.997 1.00 25.00 H new ATOM 0 HD22 LEU A 54 10.811 34.775 -17.308 1.00 25.00 H new ATOM 0 HD23 LEU A 54 11.433 36.186 -16.418 1.00 25.00 H new ATOM 784 N VAL A 55 11.187 36.785 -13.513 1.00 25.00 N ATOM 785 CA VAL A 55 10.022 37.622 -13.227 1.00 25.00 C ATOM 786 C VAL A 55 9.796 38.629 -14.389 1.00 25.00 C ATOM 787 O VAL A 55 10.678 39.435 -14.674 1.00 25.00 O ATOM 788 CB VAL A 55 10.195 38.383 -11.867 1.00 25.00 C ATOM 789 CG1 VAL A 55 8.856 38.916 -11.331 1.00 25.00 C ATOM 790 CG2 VAL A 55 10.815 37.477 -10.796 1.00 25.00 C ATOM 0 H VAL A 55 12.016 37.309 -13.794 1.00 25.00 H new ATOM 0 HA VAL A 55 9.147 36.977 -13.140 1.00 25.00 H new ATOM 0 HB VAL A 55 10.859 39.222 -12.074 1.00 25.00 H new ATOM 0 HG11 VAL A 55 9.023 39.436 -10.388 1.00 25.00 H new ATOM 0 HG12 VAL A 55 8.423 39.607 -12.055 1.00 25.00 H new ATOM 0 HG13 VAL A 55 8.171 38.083 -11.170 1.00 25.00 H new ATOM 0 HG21 VAL A 55 10.922 38.034 -9.865 1.00 25.00 H new ATOM 0 HG22 VAL A 55 10.169 36.615 -10.631 1.00 25.00 H new ATOM 0 HG23 VAL A 55 11.795 37.137 -11.130 1.00 25.00 H new ATOM 800 N PRO A 56 8.634 38.572 -15.108 1.00 25.00 N ATOM 801 CA PRO A 56 8.401 39.447 -16.262 1.00 25.00 C ATOM 802 C PRO A 56 7.832 40.833 -15.904 1.00 25.00 C ATOM 803 O PRO A 56 7.613 41.671 -16.777 1.00 25.00 O ATOM 804 CB PRO A 56 7.367 38.649 -17.063 1.00 25.00 C ATOM 805 CG PRO A 56 6.525 38.026 -16.020 1.00 25.00 C ATOM 806 CD PRO A 56 7.515 37.616 -14.938 1.00 25.00 C ATOM 0 HA PRO A 56 9.331 39.675 -16.783 1.00 25.00 H new ATOM 0 HB2 PRO A 56 6.782 39.295 -17.718 1.00 25.00 H new ATOM 0 HB3 PRO A 56 7.842 37.899 -17.696 1.00 25.00 H new ATOM 0 HG2 PRO A 56 5.783 38.726 -15.636 1.00 25.00 H new ATOM 0 HG3 PRO A 56 5.981 37.165 -16.409 1.00 25.00 H new ATOM 0 HD2 PRO A 56 7.074 37.688 -13.944 1.00 25.00 H new ATOM 0 HD3 PRO A 56 7.845 36.585 -15.067 1.00 25.00 H new ATOM 814 N ARG A 57 7.563 41.025 -14.621 1.00 25.00 N ATOM 815 CA ARG A 57 6.996 42.254 -14.075 1.00 25.00 C ATOM 816 C ARG A 57 7.906 42.689 -12.950 1.00 25.00 C ATOM 817 O ARG A 57 7.571 43.655 -12.258 1.00 25.00 O ATOM 818 CB ARG A 57 5.561 42.001 -13.554 1.00 25.00 C ATOM 819 CG ARG A 57 5.369 40.820 -12.567 1.00 25.00 C ATOM 820 CD ARG A 57 5.767 41.156 -11.115 1.00 25.00 C ATOM 821 NE ARG A 57 5.678 39.941 -10.272 1.00 25.00 N ATOM 822 CZ ARG A 57 5.536 39.912 -8.968 1.00 25.00 C ATOM 823 NH1 ARG A 57 5.525 38.753 -8.344 1.00 25.00 N ATOM 824 NH2 ARG A 57 5.452 40.990 -8.255 1.00 25.00 N ATOM 825 OXT ARG A 57 8.881 41.948 -12.704 1.00 25.00 O ATOM 0 H ARG A 57 7.737 40.314 -13.911 1.00 25.00 H new ATOM 0 HA ARG A 57 6.927 43.029 -14.839 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.212 42.911 -13.066 1.00 25.00 H new ATOM 0 HB3 ARG A 57 4.913 41.833 -14.414 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.325 40.508 -12.586 1.00 25.00 H new ATOM 0 HG3 ARG A 57 5.961 39.971 -12.910 1.00 25.00 H new ATOM 0 HD2 ARG A 57 6.782 41.553 -11.090 1.00 25.00 H new ATOM 0 HD3 ARG A 57 5.111 41.932 -10.720 1.00 25.00 H new ATOM 0 HE ARG A 57 5.732 39.042 -10.751 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.626 37.887 -8.874 1.00 25.00 H new ATOM 0 HH12 ARG A 57 5.415 38.721 -7.330 1.00 25.00 H new ATOM 0 HH21 ARG A 57 5.496 41.904 -8.705 1.00 25.00 H new ATOM 0 HH22 ARG A 57 5.342 40.925 -7.243 1.00 25.00 H new TER 839 ARG A 57