USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 hydrogens (2 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 Single : A 1 TYR N :NH3+ -145:sc= 0.41 (180deg=0.025) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.273 USER MOD Single : A 18 SER OG : rot -42:sc= 0.727 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.43) USER MOD Single : A 27 TYR OH : rot -130:sc=-0.00985 USER MOD Single : A 29 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.2) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.936 -7.417 4.470 1.00 0.00 N ATOM 2 CA TYR A 1 15.269 -8.168 5.554 1.00 0.00 C ATOM 3 C TYR A 1 13.784 -7.801 5.593 1.00 0.00 C ATOM 4 O TYR A 1 13.443 -6.726 5.106 1.00 0.00 O ATOM 5 CB TYR A 1 15.958 -7.903 6.905 1.00 0.00 C ATOM 6 CG TYR A 1 16.240 -6.442 7.214 1.00 0.00 C ATOM 7 CD1 TYR A 1 15.179 -5.536 7.420 1.00 0.00 C ATOM 8 CD2 TYR A 1 17.571 -5.984 7.285 1.00 0.00 C ATOM 9 CE1 TYR A 1 15.440 -4.177 7.650 1.00 0.00 C ATOM 10 CE2 TYR A 1 17.838 -4.628 7.540 1.00 0.00 C ATOM 11 CZ TYR A 1 16.773 -3.717 7.709 1.00 0.00 C ATOM 12 OH TYR A 1 17.041 -2.401 7.936 1.00 0.00 O ATOM 0 H1 TYR A 1 16.678 -8.008 4.044 1.00 0.00 H new ATOM 0 H2 TYR A 1 15.237 -7.162 3.743 1.00 0.00 H new ATOM 0 H3 TYR A 1 16.363 -6.552 4.859 1.00 0.00 H new ATOM 0 HA TYR A 1 15.352 -9.237 5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 1 15.333 -8.311 7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 1 16.900 -8.451 6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 1 14.159 -5.891 7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 1 18.387 -6.677 7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 1 14.622 -3.484 7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 1 18.859 -4.283 7.607 1.00 0.00 H new ATOM 0 HH TYR A 1 18.011 -2.262 7.946 1.00 0.00 H new ATOM 24 N PRO A 2 12.906 -8.655 6.158 1.00 0.00 N ATOM 25 CA PRO A 2 11.513 -8.298 6.406 1.00 0.00 C ATOM 26 C PRO A 2 11.388 -7.341 7.599 1.00 0.00 C ATOM 27 O PRO A 2 12.233 -7.321 8.492 1.00 0.00 O ATOM 28 CB PRO A 2 10.798 -9.623 6.697 1.00 0.00 C ATOM 29 CG PRO A 2 11.893 -10.567 7.191 1.00 0.00 C ATOM 30 CD PRO A 2 13.218 -9.953 6.744 1.00 0.00 C ATOM 0 HA PRO A 2 11.077 -7.779 5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.020 -9.494 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.314 -10.015 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.858 -10.670 8.276 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.765 -11.565 6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.897 -9.842 7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.716 -10.595 6.018 1.00 0.00 H new ATOM 38 N ALA A 3 10.310 -6.553 7.609 1.00 0.00 N ATOM 39 CA ALA A 3 9.970 -5.592 8.657 1.00 0.00 C ATOM 40 C ALA A 3 8.491 -5.195 8.523 1.00 0.00 C ATOM 41 O ALA A 3 7.790 -5.766 7.692 1.00 0.00 O ATOM 42 CB ALA A 3 10.908 -4.372 8.564 1.00 0.00 C ATOM 0 H ALA A 3 9.623 -6.569 6.855 1.00 0.00 H new ATOM 0 HA ALA A 3 10.108 -6.039 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.653 -3.657 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.941 -4.696 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.794 -3.899 7.589 1.00 0.00 H new ATOM 48 N LYS A 4 8.020 -4.216 9.313 1.00 0.00 N ATOM 49 CA LYS A 4 6.697 -3.591 9.161 1.00 0.00 C ATOM 50 C LYS A 4 6.480 -2.973 7.760 1.00 0.00 C ATOM 51 O LYS A 4 7.445 -2.786 7.003 1.00 0.00 O ATOM 52 CB LYS A 4 6.477 -2.547 10.284 1.00 0.00 C ATOM 53 CG LYS A 4 5.428 -3.036 11.303 1.00 0.00 C ATOM 54 CD LYS A 4 6.045 -4.029 12.302 1.00 0.00 C ATOM 55 CE LYS A 4 5.048 -5.111 12.727 1.00 0.00 C ATOM 56 NZ LYS A 4 5.750 -6.385 13.026 1.00 0.00 N ATOM 0 H LYS A 4 8.558 -3.830 10.089 1.00 0.00 H new ATOM 0 HA LYS A 4 5.949 -4.378 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.421 -2.354 10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.151 -1.603 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.015 -2.183 11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.600 -3.512 10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.920 -4.499 11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.391 -3.489 13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.497 -4.779 13.607 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.317 -5.270 11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.056 -7.105 13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.256 -6.710 12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.430 -6.234 13.798 1.00 0.00 H new ATOM 70 N PRO A 5 5.224 -2.642 7.388 1.00 0.00 N ATOM 71 CA PRO A 5 4.916 -2.082 6.085 1.00 0.00 C ATOM 72 C PRO A 5 5.538 -0.690 5.934 1.00 0.00 C ATOM 73 O PRO A 5 5.670 0.053 6.907 1.00 0.00 O ATOM 74 CB PRO A 5 3.391 -2.107 5.971 1.00 0.00 C ATOM 75 CG PRO A 5 2.872 -2.182 7.406 1.00 0.00 C ATOM 76 CD PRO A 5 4.036 -2.690 8.229 1.00 0.00 C ATOM 0 HA PRO A 5 5.345 -2.656 5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.021 -1.214 5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.056 -2.965 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.541 -1.204 7.756 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.016 -2.853 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.172 -2.076 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.849 -3.708 8.569 1.00 0.00 H new ATOM 84 N GLU A 6 5.969 -0.368 4.714 1.00 0.00 N ATOM 85 CA GLU A 6 6.590 0.921 4.427 1.00 0.00 C ATOM 86 C GLU A 6 5.604 2.064 4.681 1.00 0.00 C ATOM 87 O GLU A 6 4.399 1.917 4.489 1.00 0.00 O ATOM 88 CB GLU A 6 7.083 0.968 2.976 1.00 0.00 C ATOM 89 CG GLU A 6 8.290 1.918 2.793 1.00 0.00 C ATOM 90 CD GLU A 6 9.524 1.194 2.215 1.00 0.00 C ATOM 91 OE1 GLU A 6 9.374 0.618 1.113 1.00 0.00 O ATOM 92 OE2 GLU A 6 10.594 1.203 2.883 1.00 0.00 O ATOM 0 H GLU A 6 5.898 -0.987 3.906 1.00 0.00 H new ATOM 0 HA GLU A 6 7.444 1.042 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.363 -0.036 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.268 1.292 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.008 2.736 2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.549 2.362 3.754 1.00 0.00 H new ATOM 99 N ALA A 7 6.126 3.214 5.088 1.00 0.00 N ATOM 100 CA ALA A 7 5.328 4.389 5.380 1.00 0.00 C ATOM 101 C ALA A 7 6.264 5.599 5.451 1.00 0.00 C ATOM 102 O ALA A 7 7.364 5.488 6.007 1.00 0.00 O ATOM 103 CB ALA A 7 4.560 4.179 6.697 1.00 0.00 C ATOM 0 H ALA A 7 7.127 3.355 5.225 1.00 0.00 H new ATOM 0 HA ALA A 7 4.589 4.564 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.961 5.064 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.906 3.312 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.268 4.012 7.509 1.00 0.00 H new ATOM 109 N PRO A 8 5.856 6.748 4.881 1.00 0.00 N ATOM 110 CA PRO A 8 6.598 7.991 5.026 1.00 0.00 C ATOM 111 C PRO A 8 6.554 8.490 6.479 1.00 0.00 C ATOM 112 O PRO A 8 5.709 8.077 7.276 1.00 0.00 O ATOM 113 CB PRO A 8 5.961 8.970 4.040 1.00 0.00 C ATOM 114 CG PRO A 8 4.576 8.400 3.750 1.00 0.00 C ATOM 115 CD PRO A 8 4.594 6.946 4.194 1.00 0.00 C ATOM 0 HA PRO A 8 7.658 7.868 4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.894 9.971 4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.552 9.051 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.809 8.958 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.342 8.477 2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.754 6.730 4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.508 6.277 3.338 1.00 0.00 H new ATOM 123 N GLY A 9 7.481 9.400 6.801 1.00 0.00 N ATOM 124 CA GLY A 9 7.537 10.096 8.085 1.00 0.00 C ATOM 125 C GLY A 9 6.390 11.097 8.260 1.00 0.00 C ATOM 126 O GLY A 9 5.331 10.978 7.650 1.00 0.00 O ATOM 0 H GLY A 9 8.226 9.676 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.503 9.365 8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.489 10.620 8.169 1.00 0.00 H new ATOM 130 N GLU A 10 6.608 12.132 9.076 1.00 0.00 N ATOM 131 CA GLU A 10 5.684 13.261 9.288 1.00 0.00 C ATOM 132 C GLU A 10 5.585 14.205 8.058 1.00 0.00 C ATOM 133 O GLU A 10 5.481 15.423 8.190 1.00 0.00 O ATOM 134 CB GLU A 10 6.093 13.984 10.594 1.00 0.00 C ATOM 135 CG GLU A 10 5.285 13.503 11.814 1.00 0.00 C ATOM 136 CD GLU A 10 4.337 14.595 12.335 1.00 0.00 C ATOM 137 OE1 GLU A 10 4.876 15.539 12.960 1.00 0.00 O ATOM 138 OE2 GLU A 10 3.105 14.456 12.151 1.00 0.00 O ATOM 0 H GLU A 10 7.461 12.214 9.629 1.00 0.00 H new ATOM 0 HA GLU A 10 4.668 12.882 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.155 13.821 10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.953 15.058 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.708 12.619 11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.969 13.205 12.609 1.00 0.00 H new ATOM 145 N ASP A 11 5.632 13.643 6.845 1.00 0.00 N ATOM 146 CA ASP A 11 5.539 14.342 5.560 1.00 0.00 C ATOM 147 C ASP A 11 4.891 13.420 4.520 1.00 0.00 C ATOM 148 O ASP A 11 5.570 12.695 3.786 1.00 0.00 O ATOM 149 CB ASP A 11 6.931 14.813 5.095 1.00 0.00 C ATOM 150 CG ASP A 11 7.247 16.278 5.423 1.00 0.00 C ATOM 151 OD1 ASP A 11 6.320 17.119 5.317 1.00 0.00 O ATOM 152 OD2 ASP A 11 8.444 16.548 5.671 1.00 0.00 O ATOM 0 H ASP A 11 5.742 12.636 6.728 1.00 0.00 H new ATOM 0 HA ASP A 11 4.915 15.228 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.688 14.179 5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.008 14.670 4.017 1.00 0.00 H new ATOM 157 N ALA A 12 3.556 13.434 4.467 1.00 0.00 N ATOM 158 CA ALA A 12 2.783 12.698 3.475 1.00 0.00 C ATOM 159 C ALA A 12 1.348 13.222 3.433 1.00 0.00 C ATOM 160 O ALA A 12 0.618 13.137 4.418 1.00 0.00 O ATOM 161 CB ALA A 12 2.822 11.203 3.790 1.00 0.00 C ATOM 0 H ALA A 12 2.980 13.964 5.121 1.00 0.00 H new ATOM 0 HA ALA A 12 3.222 12.847 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.242 10.659 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.855 10.854 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.397 11.028 4.778 1.00 0.00 H new ATOM 167 N SER A 13 0.957 13.795 2.287 1.00 0.00 N ATOM 168 CA SER A 13 -0.404 14.278 2.072 1.00 0.00 C ATOM 169 C SER A 13 -1.457 13.154 2.206 1.00 0.00 C ATOM 170 O SER A 13 -1.106 11.970 2.201 1.00 0.00 O ATOM 171 CB SER A 13 -0.473 14.980 0.704 1.00 0.00 C ATOM 172 OG SER A 13 -1.068 14.152 -0.279 1.00 0.00 O ATOM 0 H SER A 13 1.576 13.934 1.489 1.00 0.00 H new ATOM 0 HA SER A 13 -0.650 14.996 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.045 15.903 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.532 15.258 0.386 1.00 0.00 H new ATOM 0 HG SER A 13 -1.097 14.629 -1.135 1.00 0.00 H new ATOM 178 N PRO A 14 -2.765 13.485 2.238 1.00 0.00 N ATOM 179 CA PRO A 14 -3.812 12.471 2.300 1.00 0.00 C ATOM 180 C PRO A 14 -3.858 11.581 1.043 1.00 0.00 C ATOM 181 O PRO A 14 -4.430 10.492 1.092 1.00 0.00 O ATOM 182 CB PRO A 14 -5.115 13.238 2.545 1.00 0.00 C ATOM 183 CG PRO A 14 -4.847 14.671 2.082 1.00 0.00 C ATOM 184 CD PRO A 14 -3.330 14.808 2.023 1.00 0.00 C ATOM 0 HA PRO A 14 -3.625 11.759 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.941 12.795 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.392 13.213 3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.295 14.858 1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.279 15.394 2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.018 15.206 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.978 15.504 2.784 1.00 0.00 H new ATOM 192 N GLU A 15 -3.207 11.991 -0.052 1.00 0.00 N ATOM 193 CA GLU A 15 -3.061 11.206 -1.281 1.00 0.00 C ATOM 194 C GLU A 15 -2.037 10.067 -1.124 1.00 0.00 C ATOM 195 O GLU A 15 -2.181 9.015 -1.754 1.00 0.00 O ATOM 196 CB GLU A 15 -2.654 12.143 -2.436 1.00 0.00 C ATOM 197 CG GLU A 15 -3.619 12.050 -3.626 1.00 0.00 C ATOM 198 CD GLU A 15 -3.316 13.119 -4.688 1.00 0.00 C ATOM 199 OE1 GLU A 15 -3.432 14.319 -4.356 1.00 0.00 O ATOM 200 OE2 GLU A 15 -2.979 12.732 -5.828 1.00 0.00 O ATOM 0 H GLU A 15 -2.755 12.904 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.021 10.739 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.624 13.171 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.646 11.892 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.548 11.060 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.644 12.167 -3.274 1.00 0.00 H new ATOM 207 N GLU A 16 -1.025 10.237 -0.259 1.00 0.00 N ATOM 208 CA GLU A 16 -0.067 9.166 0.026 1.00 0.00 C ATOM 209 C GLU A 16 -0.764 8.028 0.775 1.00 0.00 C ATOM 210 O GLU A 16 -0.583 6.864 0.440 1.00 0.00 O ATOM 211 CB GLU A 16 1.159 9.712 0.783 1.00 0.00 C ATOM 212 CG GLU A 16 2.488 9.090 0.299 1.00 0.00 C ATOM 213 CD GLU A 16 2.834 7.689 0.850 1.00 0.00 C ATOM 214 OE1 GLU A 16 2.172 7.247 1.810 1.00 0.00 O ATOM 215 OE2 GLU A 16 3.788 7.079 0.299 1.00 0.00 O ATOM 0 H GLU A 16 -0.852 11.103 0.251 1.00 0.00 H new ATOM 0 HA GLU A 16 0.308 8.758 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.204 10.794 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.039 9.517 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.461 9.032 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.299 9.770 0.562 1.00 0.00 H new ATOM 222 N LEU A 17 -1.683 8.328 1.698 1.00 0.00 N ATOM 223 CA LEU A 17 -2.436 7.294 2.395 1.00 0.00 C ATOM 224 C LEU A 17 -3.189 6.349 1.431 1.00 0.00 C ATOM 225 O LEU A 17 -3.200 5.133 1.632 1.00 0.00 O ATOM 226 CB LEU A 17 -3.390 7.953 3.405 1.00 0.00 C ATOM 227 CG LEU A 17 -3.469 7.134 4.719 1.00 0.00 C ATOM 228 CD1 LEU A 17 -2.886 7.919 5.904 1.00 0.00 C ATOM 229 CD2 LEU A 17 -4.914 6.730 5.006 1.00 0.00 C ATOM 0 H LEU A 17 -1.920 9.280 1.976 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.727 6.661 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.049 8.965 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.384 8.039 2.967 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.869 6.233 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.957 7.317 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.840 8.154 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.447 8.844 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.954 6.156 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.529 7.624 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.292 6.121 4.184 1.00 0.00 H new ATOM 241 N SER A 18 -3.754 6.889 0.334 1.00 0.00 N ATOM 242 CA SER A 18 -4.381 6.061 -0.708 1.00 0.00 C ATOM 243 C SER A 18 -3.379 5.208 -1.499 1.00 0.00 C ATOM 244 O SER A 18 -3.755 4.177 -2.053 1.00 0.00 O ATOM 245 CB SER A 18 -5.271 6.903 -1.639 1.00 0.00 C ATOM 246 OG SER A 18 -4.590 7.657 -2.633 1.00 0.00 O ATOM 0 H SER A 18 -3.788 7.892 0.149 1.00 0.00 H new ATOM 0 HA SER A 18 -5.020 5.352 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.977 6.237 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.857 7.589 -1.027 1.00 0.00 H new ATOM 0 HG SER A 18 -3.787 8.062 -2.243 1.00 0.00 H new ATOM 252 N ARG A 19 -2.094 5.595 -1.518 1.00 0.00 N ATOM 253 CA ARG A 19 -0.990 4.827 -2.115 1.00 0.00 C ATOM 254 C ARG A 19 -0.611 3.608 -1.257 1.00 0.00 C ATOM 255 O ARG A 19 -0.144 2.602 -1.784 1.00 0.00 O ATOM 256 CB ARG A 19 0.202 5.780 -2.354 1.00 0.00 C ATOM 257 CG ARG A 19 1.381 5.687 -1.370 1.00 0.00 C ATOM 258 CD ARG A 19 2.463 4.675 -1.746 1.00 0.00 C ATOM 259 NE ARG A 19 3.753 5.369 -1.805 1.00 0.00 N ATOM 260 CZ ARG A 19 4.197 6.090 -2.824 1.00 0.00 C ATOM 261 NH1 ARG A 19 3.523 6.195 -3.944 1.00 0.00 N ATOM 262 NH2 ARG A 19 5.320 6.750 -2.718 1.00 0.00 N ATOM 0 H ARG A 19 -1.786 6.476 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.307 4.417 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.584 5.598 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.174 6.803 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.841 6.672 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.992 5.430 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.500 3.870 -1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.235 4.218 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 19 4.362 5.290 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.630 5.714 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.892 6.758 -4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.855 6.710 -1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.661 7.305 -3.503 1.00 0.00 H new ATOM 276 N TYR A 20 -0.810 3.714 0.055 1.00 0.00 N ATOM 277 CA TYR A 20 -0.446 2.685 1.026 1.00 0.00 C ATOM 278 C TYR A 20 -1.412 1.499 0.966 1.00 0.00 C ATOM 279 O TYR A 20 -0.987 0.353 0.885 1.00 0.00 O ATOM 280 CB TYR A 20 -0.449 3.308 2.422 1.00 0.00 C ATOM 281 CG TYR A 20 -0.180 2.295 3.509 1.00 0.00 C ATOM 282 CD1 TYR A 20 1.145 1.942 3.816 1.00 0.00 C ATOM 283 CD2 TYR A 20 -1.258 1.684 4.181 1.00 0.00 C ATOM 284 CE1 TYR A 20 1.391 0.990 4.823 1.00 0.00 C ATOM 285 CE2 TYR A 20 -1.011 0.720 5.175 1.00 0.00 C ATOM 286 CZ TYR A 20 0.315 0.386 5.487 1.00 0.00 C ATOM 287 OH TYR A 20 0.544 -0.553 6.435 1.00 0.00 O ATOM 0 H TYR A 20 -1.238 4.536 0.482 1.00 0.00 H new ATOM 0 HA TYR A 20 0.548 2.305 0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.305 4.093 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.414 3.782 2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.967 2.397 3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.273 1.956 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.405 0.726 5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.831 0.243 5.691 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.311 -0.868 6.796 1.00 0.00 H new ATOM 297 N TYR A 21 -2.716 1.793 0.945 1.00 0.00 N ATOM 298 CA TYR A 21 -3.797 0.822 0.774 1.00 0.00 C ATOM 299 C TYR A 21 -3.603 -0.085 -0.451 1.00 0.00 C ATOM 300 O TYR A 21 -3.888 -1.279 -0.406 1.00 0.00 O ATOM 301 CB TYR A 21 -5.120 1.588 0.656 1.00 0.00 C ATOM 302 CG TYR A 21 -5.866 1.779 1.960 1.00 0.00 C ATOM 303 CD1 TYR A 21 -5.337 2.584 2.990 1.00 0.00 C ATOM 304 CD2 TYR A 21 -7.117 1.151 2.131 1.00 0.00 C ATOM 305 CE1 TYR A 21 -6.062 2.766 4.184 1.00 0.00 C ATOM 306 CE2 TYR A 21 -7.854 1.348 3.312 1.00 0.00 C ATOM 307 CZ TYR A 21 -7.329 2.162 4.338 1.00 0.00 C ATOM 308 OH TYR A 21 -8.066 2.388 5.461 1.00 0.00 O ATOM 0 H TYR A 21 -3.058 2.748 1.051 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.800 0.164 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.918 2.568 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.768 1.059 -0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.376 3.061 2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.511 0.516 1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.649 3.367 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.819 0.878 3.433 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.911 1.896 5.402 1.00 0.00 H new ATOM 318 N ALA A 22 -3.088 0.487 -1.553 1.00 0.00 N ATOM 319 CA ALA A 22 -2.698 -0.263 -2.741 1.00 0.00 C ATOM 320 C ALA A 22 -1.499 -1.182 -2.465 1.00 0.00 C ATOM 321 O ALA A 22 -1.520 -2.363 -2.836 1.00 0.00 O ATOM 322 CB ALA A 22 -2.396 0.737 -3.860 1.00 0.00 C ATOM 0 H ALA A 22 -2.933 1.492 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.515 -0.918 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.102 0.198 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.286 1.331 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.585 1.396 -3.550 1.00 0.00 H new ATOM 328 N SER A 23 -0.476 -0.665 -1.771 1.00 0.00 N ATOM 329 CA SER A 23 0.675 -1.460 -1.353 1.00 0.00 C ATOM 330 C SER A 23 0.264 -2.619 -0.446 1.00 0.00 C ATOM 331 O SER A 23 0.780 -3.705 -0.649 1.00 0.00 O ATOM 332 CB SER A 23 1.741 -0.609 -0.655 1.00 0.00 C ATOM 333 OG SER A 23 3.003 -0.914 -1.213 1.00 0.00 O ATOM 0 H SER A 23 -0.428 0.313 -1.487 1.00 0.00 H new ATOM 0 HA SER A 23 1.108 -1.869 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.519 0.451 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.743 -0.810 0.416 1.00 0.00 H new ATOM 0 HG SER A 23 3.694 -0.374 -0.775 1.00 0.00 H new ATOM 339 N LEU A 24 -0.688 -2.417 0.475 1.00 0.00 N ATOM 340 CA LEU A 24 -1.213 -3.440 1.378 1.00 0.00 C ATOM 341 C LEU A 24 -1.589 -4.730 0.652 1.00 0.00 C ATOM 342 O LEU A 24 -1.205 -5.808 1.093 1.00 0.00 O ATOM 343 CB LEU A 24 -2.446 -2.922 2.145 1.00 0.00 C ATOM 344 CG LEU A 24 -2.218 -2.653 3.637 1.00 0.00 C ATOM 345 CD1 LEU A 24 -3.510 -2.077 4.233 1.00 0.00 C ATOM 346 CD2 LEU A 24 -1.815 -3.927 4.395 1.00 0.00 C ATOM 0 H LEU A 24 -1.125 -1.506 0.613 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.407 -3.664 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.787 -2.000 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.251 -3.650 2.042 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.397 -1.943 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.364 -1.880 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.763 -1.148 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.321 -2.794 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.663 -3.691 5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.605 -4.672 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.890 -4.323 3.975 1.00 0.00 H new ATOM 358 N ARG A 25 -2.313 -4.648 -0.465 1.00 0.00 N ATOM 359 CA ARG A 25 -2.611 -5.817 -1.295 1.00 0.00 C ATOM 360 C ARG A 25 -1.318 -6.486 -1.770 1.00 0.00 C ATOM 361 O ARG A 25 -1.140 -7.693 -1.628 1.00 0.00 O ATOM 362 CB ARG A 25 -3.549 -5.446 -2.446 1.00 0.00 C ATOM 363 CG ARG A 25 -4.618 -6.523 -2.698 1.00 0.00 C ATOM 364 CD ARG A 25 -4.096 -7.882 -3.189 1.00 0.00 C ATOM 365 NE ARG A 25 -4.065 -7.991 -4.653 1.00 0.00 N ATOM 366 CZ ARG A 25 -3.119 -7.591 -5.491 1.00 0.00 C ATOM 367 NH1 ARG A 25 -1.988 -7.060 -5.086 1.00 0.00 N ATOM 368 NH2 ARG A 25 -3.302 -7.701 -6.786 1.00 0.00 N ATOM 0 H ARG A 25 -2.707 -3.776 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.141 -6.553 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.038 -4.498 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.965 -5.297 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.173 -6.681 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.326 -6.140 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.092 -8.042 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.726 -8.674 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.878 -8.433 -5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.809 -6.941 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.289 -6.767 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.171 -8.094 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.575 -7.394 -7.432 1.00 0.00 H new ATOM 382 N HIS A 26 -0.418 -5.715 -2.364 1.00 0.00 N ATOM 383 CA HIS A 26 0.878 -6.212 -2.833 1.00 0.00 C ATOM 384 C HIS A 26 1.757 -6.769 -1.704 1.00 0.00 C ATOM 385 O HIS A 26 2.573 -7.653 -1.937 1.00 0.00 O ATOM 386 CB HIS A 26 1.579 -5.101 -3.640 1.00 0.00 C ATOM 387 CG HIS A 26 2.310 -5.621 -4.856 1.00 0.00 C ATOM 388 ND1 HIS A 26 1.838 -6.579 -5.727 1.00 0.00 N ATOM 389 CD2 HIS A 26 3.531 -5.207 -5.326 1.00 0.00 C ATOM 390 CE1 HIS A 26 2.760 -6.750 -6.687 1.00 0.00 C ATOM 391 NE2 HIS A 26 3.803 -5.940 -6.484 1.00 0.00 N ATOM 0 H HIS A 26 -0.563 -4.720 -2.537 1.00 0.00 H new ATOM 0 HA HIS A 26 0.703 -7.067 -3.486 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.838 -4.367 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.286 -4.582 -2.993 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.165 -4.453 -4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.671 -7.445 -7.509 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.639 -5.870 -7.064 1.00 0.00 H new ATOM 398 N TYR A 27 1.525 -6.309 -0.471 1.00 0.00 N ATOM 399 CA TYR A 27 2.166 -6.699 0.772 1.00 0.00 C ATOM 400 C TYR A 27 1.597 -8.012 1.339 1.00 0.00 C ATOM 401 O TYR A 27 2.338 -8.924 1.700 1.00 0.00 O ATOM 402 CB TYR A 27 1.950 -5.560 1.776 1.00 0.00 C ATOM 403 CG TYR A 27 3.019 -5.481 2.823 1.00 0.00 C ATOM 404 CD1 TYR A 27 4.264 -4.925 2.473 1.00 0.00 C ATOM 405 CD2 TYR A 27 2.763 -5.938 4.122 1.00 0.00 C ATOM 406 CE1 TYR A 27 5.276 -4.824 3.440 1.00 0.00 C ATOM 407 CE2 TYR A 27 3.772 -5.845 5.096 1.00 0.00 C ATOM 408 CZ TYR A 27 5.021 -5.295 4.754 1.00 0.00 C ATOM 409 OH TYR A 27 5.962 -5.187 5.713 1.00 0.00 O ATOM 0 H TYR A 27 0.819 -5.590 -0.312 1.00 0.00 H new ATOM 0 HA TYR A 27 3.226 -6.875 0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.908 -4.613 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.984 -5.693 2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.439 -4.578 1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.800 -6.358 4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.234 -4.394 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.590 -6.194 6.102 1.00 0.00 H new ATOM 0 HH TYR A 27 6.082 -6.055 6.153 1.00 0.00 H new ATOM 419 N LEU A 28 0.266 -8.130 1.364 1.00 0.00 N ATOM 420 CA LEU A 28 -0.444 -9.368 1.674 1.00 0.00 C ATOM 421 C LEU A 28 -0.032 -10.463 0.690 1.00 0.00 C ATOM 422 O LEU A 28 0.182 -11.584 1.126 1.00 0.00 O ATOM 423 CB LEU A 28 -1.962 -9.095 1.685 1.00 0.00 C ATOM 424 CG LEU A 28 -2.870 -10.289 1.313 1.00 0.00 C ATOM 425 CD1 LEU A 28 -2.876 -11.393 2.386 1.00 0.00 C ATOM 426 CD2 LEU A 28 -4.290 -9.780 1.052 1.00 0.00 C ATOM 0 H LEU A 28 -0.359 -7.349 1.164 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.177 -9.729 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.241 -8.749 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.169 -8.278 0.994 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.465 -10.746 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.531 -12.205 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.864 -11.775 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.237 -10.982 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.935 -10.619 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.673 -9.295 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.274 -9.063 0.231 1.00 0.00 H new ATOM 438 N ASN A 29 0.150 -10.158 -0.597 1.00 0.00 N ATOM 439 CA ASN A 29 0.674 -11.120 -1.570 1.00 0.00 C ATOM 440 C ASN A 29 2.144 -11.517 -1.336 1.00 0.00 C ATOM 441 O ASN A 29 2.615 -12.449 -1.987 1.00 0.00 O ATOM 442 CB ASN A 29 0.496 -10.564 -2.991 1.00 0.00 C ATOM 443 CG ASN A 29 -0.720 -11.114 -3.723 1.00 0.00 C ATOM 444 OD1 ASN A 29 -1.535 -11.859 -3.215 1.00 0.00 O ATOM 445 ND2 ASN A 29 -0.853 -10.756 -4.989 1.00 0.00 N ATOM 0 H ASN A 29 -0.060 -9.242 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 29 0.096 -12.035 -1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.415 -9.478 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.390 -10.789 -3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.639 -11.105 -5.538 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.170 -10.131 -5.417 1.00 0.00 H new ATOM 452 N LEU A 30 2.861 -10.845 -0.426 1.00 0.00 N ATOM 453 CA LEU A 30 4.254 -11.119 -0.094 1.00 0.00 C ATOM 454 C LEU A 30 4.356 -12.139 1.042 1.00 0.00 C ATOM 455 O LEU A 30 5.012 -13.170 0.899 1.00 0.00 O ATOM 456 CB LEU A 30 4.950 -9.798 0.293 1.00 0.00 C ATOM 457 CG LEU A 30 6.258 -9.557 -0.473 1.00 0.00 C ATOM 458 CD1 LEU A 30 6.070 -8.375 -1.440 1.00 0.00 C ATOM 459 CD2 LEU A 30 7.413 -9.270 0.489 1.00 0.00 C ATOM 0 H LEU A 30 2.470 -10.072 0.113 1.00 0.00 H new ATOM 0 HA LEU A 30 4.751 -11.548 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.269 -8.968 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.159 -9.805 1.363 1.00 0.00 H new ATOM 0 HG LEU A 30 6.506 -10.457 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.997 -8.201 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.271 -8.605 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.808 -7.481 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.328 -9.103 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.184 -8.381 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.551 -10.121 1.156 1.00 0.00 H new ATOM 471 N VAL A 31 3.712 -11.844 2.181 1.00 0.00 N ATOM 472 CA VAL A 31 3.632 -12.780 3.315 1.00 0.00 C ATOM 473 C VAL A 31 2.584 -13.873 3.075 1.00 0.00 C ATOM 474 O VAL A 31 2.698 -14.958 3.634 1.00 0.00 O ATOM 475 CB VAL A 31 3.414 -12.013 4.640 1.00 0.00 C ATOM 476 CG1 VAL A 31 2.909 -12.906 5.781 1.00 0.00 C ATOM 477 CG2 VAL A 31 4.737 -11.369 5.081 1.00 0.00 C ATOM 0 H VAL A 31 3.235 -10.957 2.343 1.00 0.00 H new ATOM 0 HA VAL A 31 4.587 -13.299 3.402 1.00 0.00 H new ATOM 0 HB VAL A 31 2.648 -11.263 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.777 -12.306 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.955 -13.352 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.636 -13.695 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.585 -10.828 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.488 -12.145 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.079 -10.676 4.312 1.00 0.00 H new ATOM 487 N THR A 32 1.575 -13.617 2.236 1.00 0.00 N ATOM 488 CA THR A 32 0.491 -14.539 1.826 1.00 0.00 C ATOM 489 C THR A 32 -0.357 -15.046 3.004 1.00 0.00 C ATOM 490 O THR A 32 -1.199 -15.941 2.889 1.00 0.00 O ATOM 491 CB THR A 32 0.985 -15.611 0.825 1.00 0.00 C ATOM 492 OG1 THR A 32 1.214 -16.858 1.433 1.00 0.00 O ATOM 493 CG2 THR A 32 2.273 -15.225 0.080 1.00 0.00 C ATOM 0 H THR A 32 1.480 -12.704 1.792 1.00 0.00 H new ATOM 0 HA THR A 32 -0.233 -13.960 1.252 1.00 0.00 H new ATOM 0 HB THR A 32 0.165 -15.679 0.110 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.522 -17.499 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.553 -16.028 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.105 -14.309 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.075 -15.064 0.800 1.00 0.00 H new ATOM 501 N ARG A 33 -0.160 -14.404 4.162 1.00 0.00 N ATOM 502 CA ARG A 33 -0.592 -14.834 5.488 1.00 0.00 C ATOM 503 C ARG A 33 -0.614 -13.665 6.484 1.00 0.00 C ATOM 504 O ARG A 33 -0.270 -13.832 7.650 1.00 0.00 O ATOM 505 CB ARG A 33 0.339 -15.982 5.952 1.00 0.00 C ATOM 506 CG ARG A 33 -0.283 -16.778 7.121 1.00 0.00 C ATOM 507 CD ARG A 33 0.562 -16.721 8.401 1.00 0.00 C ATOM 508 NE ARG A 33 -0.247 -17.025 9.604 1.00 0.00 N ATOM 509 CZ ARG A 33 -1.166 -16.248 10.172 1.00 0.00 C ATOM 510 NH1 ARG A 33 -1.459 -15.046 9.718 1.00 0.00 N ATOM 511 NH2 ARG A 33 -1.827 -16.668 11.227 1.00 0.00 N ATOM 0 H ARG A 33 0.338 -13.514 4.195 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.618 -15.200 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.534 -16.654 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.300 -15.570 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.278 -16.386 7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.407 -17.818 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.385 -17.432 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.005 -15.730 8.501 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.081 -17.929 10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.974 -14.678 8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.171 -14.484 10.185 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.636 -17.593 11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.531 -16.070 11.660 1.00 0.00 H new ATOM 525 N GLN A 34 -1.016 -12.468 6.051 1.00 0.00 N ATOM 526 CA GLN A 34 -1.099 -11.292 6.924 1.00 0.00 C ATOM 527 C GLN A 34 -2.410 -10.541 6.673 1.00 0.00 C ATOM 528 O GLN A 34 -2.460 -9.558 5.935 1.00 0.00 O ATOM 529 CB GLN A 34 0.160 -10.413 6.784 1.00 0.00 C ATOM 530 CG GLN A 34 0.540 -9.737 8.111 1.00 0.00 C ATOM 531 CD GLN A 34 1.333 -10.669 9.032 1.00 0.00 C ATOM 532 OE1 GLN A 34 2.428 -11.103 8.727 1.00 0.00 O ATOM 533 NE2 GLN A 34 0.839 -11.005 10.208 1.00 0.00 N ATOM 0 H GLN A 34 -1.293 -12.285 5.087 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.120 -11.609 7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.993 -11.025 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.013 -9.650 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.131 -8.844 7.905 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.366 -9.409 8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.076 -10.658 10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.372 -11.612 10.831 1.00 0.00 H new ATOM 542 N ARG A 35 -3.503 -11.054 7.260 1.00 0.00 N ATOM 543 CA ARG A 35 -4.817 -10.417 7.149 1.00 0.00 C ATOM 544 C ARG A 35 -4.914 -9.198 8.067 1.00 0.00 C ATOM 545 O ARG A 35 -4.403 -9.221 9.185 1.00 0.00 O ATOM 546 CB ARG A 35 -5.942 -11.416 7.471 1.00 0.00 C ATOM 547 CG ARG A 35 -6.901 -11.610 6.277 1.00 0.00 C ATOM 548 CD ARG A 35 -8.382 -11.474 6.667 1.00 0.00 C ATOM 549 NE ARG A 35 -8.993 -10.263 6.086 1.00 0.00 N ATOM 550 CZ ARG A 35 -10.293 -10.010 5.995 1.00 0.00 C ATOM 551 NH1 ARG A 35 -11.193 -10.828 6.481 1.00 0.00 N ATOM 552 NH2 ARG A 35 -10.708 -8.913 5.399 1.00 0.00 N ATOM 0 H ARG A 35 -3.499 -11.909 7.816 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.936 -10.083 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.506 -12.377 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.505 -11.062 8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.665 -10.876 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.735 -12.595 5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.929 -12.355 6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.470 -11.440 7.753 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.357 -9.554 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.902 -11.688 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.185 -10.605 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.031 -8.258 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.707 -8.717 5.328 1.00 0.00 H new ATOM 566 N TYR A 36 -5.608 -8.157 7.596 1.00 0.00 N ATOM 567 CA TYR A 36 -5.760 -6.905 8.329 1.00 0.00 C ATOM 568 C TYR A 36 -6.953 -6.087 7.788 1.00 0.00 C ATOM 569 O TYR A 36 -6.867 -5.340 6.833 1.00 0.00 O ATOM 570 CB TYR A 36 -4.419 -6.148 8.279 1.00 0.00 C ATOM 571 CG TYR A 36 -4.194 -5.226 9.456 1.00 0.00 C ATOM 572 CD1 TYR A 36 -4.081 -5.761 10.753 1.00 0.00 C ATOM 573 CD2 TYR A 36 -4.067 -3.840 9.247 1.00 0.00 C ATOM 574 CE1 TYR A 36 -3.886 -4.908 11.858 1.00 0.00 C ATOM 575 CE2 TYR A 36 -3.851 -2.984 10.340 1.00 0.00 C ATOM 576 CZ TYR A 36 -3.783 -3.511 11.646 1.00 0.00 C ATOM 577 OH TYR A 36 -3.638 -2.656 12.692 1.00 0.00 O ATOM 0 H TYR A 36 -6.080 -8.163 6.692 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.999 -7.097 9.375 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.605 -6.872 8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.376 -5.565 7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.144 -6.829 10.902 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.135 -3.435 8.248 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.816 -5.315 12.856 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.737 -1.922 10.180 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.583 -1.736 12.358 1.00 0.00 H new HETATM 587 N NH2 A 37 -8.139 -6.266 8.346 1.00 0.00 N TER 590 NH2 A 37