USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 526 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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 52 MET CE :methyl -136:sc= -10.5! (180deg=-18.8!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0789 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 0.987 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0716) USER MOD Single : A 31 ASN : amide:sc= -0.0415 X(o=-0.042,f=-0.042) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 45 SER OG : rot -73:sc= -0.455 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.379 -14.692 -9.673 1.00 0.00 N ATOM 2 CA GLY A 1 1.393 -13.877 -10.359 1.00 0.00 C ATOM 3 C GLY A 1 1.211 -14.283 -11.807 1.00 0.00 C ATOM 4 O GLY A 1 1.646 -15.359 -12.216 1.00 0.00 O ATOM 0 H1 GLY A 1 1.969 -15.067 -8.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.664 -15.482 -10.287 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.212 -14.112 -9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.438 -13.955 -9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.696 -12.831 -10.314 1.00 0.00 H new ATOM 8 N SER A 2 0.565 -13.421 -12.585 1.00 0.00 N ATOM 9 CA SER A 2 0.322 -13.698 -13.996 1.00 0.00 C ATOM 10 C SER A 2 1.408 -13.075 -14.868 1.00 0.00 C ATOM 11 O SER A 2 1.838 -11.947 -14.631 1.00 0.00 O ATOM 12 CB SER A 2 -1.051 -13.164 -14.412 1.00 0.00 C ATOM 13 OG SER A 2 -1.327 -13.469 -15.769 1.00 0.00 O ATOM 0 H SER A 2 0.200 -12.525 -12.262 1.00 0.00 H new ATOM 0 HA SER A 2 0.343 -14.779 -14.138 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.822 -13.597 -13.775 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.085 -12.085 -14.264 1.00 0.00 H new ATOM 0 HG SER A 2 -2.210 -13.119 -16.010 1.00 0.00 H new ATOM 19 N SER A 3 1.846 -13.820 -15.878 1.00 0.00 N ATOM 20 CA SER A 3 2.885 -13.345 -16.783 1.00 0.00 C ATOM 21 C SER A 3 3.966 -12.585 -16.020 1.00 0.00 C ATOM 22 O SER A 3 4.441 -11.541 -16.467 1.00 0.00 O ATOM 23 CB SER A 3 2.279 -12.445 -17.862 1.00 0.00 C ATOM 24 OG SER A 3 1.354 -13.160 -18.663 1.00 0.00 O ATOM 0 H SER A 3 1.497 -14.755 -16.090 1.00 0.00 H new ATOM 0 HA SER A 3 3.342 -14.213 -17.258 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.780 -11.597 -17.394 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.073 -12.041 -18.490 1.00 0.00 H new ATOM 0 HG SER A 3 0.980 -12.562 -19.343 1.00 0.00 H new ATOM 30 N GLY A 4 4.350 -13.117 -14.863 1.00 0.00 N ATOM 31 CA GLY A 4 5.371 -12.477 -14.054 1.00 0.00 C ATOM 32 C GLY A 4 5.013 -11.050 -13.692 1.00 0.00 C ATOM 33 O GLY A 4 5.511 -10.103 -14.302 1.00 0.00 O ATOM 0 H GLY A 4 3.972 -13.980 -14.472 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.521 -13.053 -13.141 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.317 -12.485 -14.595 1.00 0.00 H new ATOM 37 N SER A 5 4.145 -10.892 -12.697 1.00 0.00 N ATOM 38 CA SER A 5 3.715 -9.569 -12.259 1.00 0.00 C ATOM 39 C SER A 5 3.151 -9.624 -10.842 1.00 0.00 C ATOM 40 O SER A 5 2.813 -10.695 -10.338 1.00 0.00 O ATOM 41 CB SER A 5 2.666 -9.006 -13.217 1.00 0.00 C ATOM 42 OG SER A 5 3.271 -8.489 -14.390 1.00 0.00 O ATOM 0 H SER A 5 3.726 -11.664 -12.179 1.00 0.00 H new ATOM 0 HA SER A 5 4.585 -8.912 -12.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.956 -9.789 -13.485 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.100 -8.219 -12.719 1.00 0.00 H new ATOM 0 HG SER A 5 4.144 -8.913 -14.522 1.00 0.00 H new ATOM 48 N SER A 6 3.051 -8.461 -10.206 1.00 0.00 N ATOM 49 CA SER A 6 2.531 -8.375 -8.847 1.00 0.00 C ATOM 50 C SER A 6 1.042 -8.041 -8.855 1.00 0.00 C ATOM 51 O SER A 6 0.249 -8.674 -8.161 1.00 0.00 O ATOM 52 CB SER A 6 3.298 -7.319 -8.051 1.00 0.00 C ATOM 53 OG SER A 6 3.243 -6.056 -8.693 1.00 0.00 O ATOM 0 H SER A 6 3.323 -7.565 -10.611 1.00 0.00 H new ATOM 0 HA SER A 6 2.665 -9.346 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.878 -7.239 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.337 -7.628 -7.938 1.00 0.00 H new ATOM 0 HG SER A 6 3.739 -5.398 -8.163 1.00 0.00 H new ATOM 59 N GLY A 7 0.671 -7.040 -9.649 1.00 0.00 N ATOM 60 CA GLY A 7 -0.720 -6.638 -9.733 1.00 0.00 C ATOM 61 C GLY A 7 -1.018 -5.400 -8.911 1.00 0.00 C ATOM 62 O GLY A 7 -1.746 -4.513 -9.354 1.00 0.00 O ATOM 0 H GLY A 7 1.309 -6.501 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.978 -6.449 -10.775 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.353 -7.457 -9.392 1.00 0.00 H new ATOM 66 N MET A 8 -0.452 -5.341 -7.710 1.00 0.00 N ATOM 67 CA MET A 8 -0.661 -4.202 -6.823 1.00 0.00 C ATOM 68 C MET A 8 0.340 -4.218 -5.672 1.00 0.00 C ATOM 69 O MET A 8 0.985 -5.233 -5.413 1.00 0.00 O ATOM 70 CB MET A 8 -2.089 -4.212 -6.271 1.00 0.00 C ATOM 71 CG MET A 8 -2.345 -5.325 -5.268 1.00 0.00 C ATOM 72 SD MET A 8 -2.631 -6.920 -6.059 1.00 0.00 S ATOM 73 CE MET A 8 -1.383 -7.925 -5.257 1.00 0.00 C ATOM 0 H MET A 8 0.154 -6.067 -7.329 1.00 0.00 H new ATOM 0 HA MET A 8 -0.509 -3.291 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.293 -3.252 -5.796 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.790 -4.313 -7.100 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.492 -5.405 -4.595 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.210 -5.066 -4.657 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.434 -8.944 -5.642 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.396 -7.509 -5.459 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.559 -7.934 -4.181 1.00 0.00 H new ATOM 83 N GLU A 9 0.465 -3.086 -4.987 1.00 0.00 N ATOM 84 CA GLU A 9 1.389 -2.970 -3.865 1.00 0.00 C ATOM 85 C GLU A 9 0.725 -3.412 -2.564 1.00 0.00 C ATOM 86 O GLU A 9 -0.492 -3.316 -2.415 1.00 0.00 O ATOM 87 CB GLU A 9 1.888 -1.529 -3.733 1.00 0.00 C ATOM 88 CG GLU A 9 2.818 -1.101 -4.855 1.00 0.00 C ATOM 89 CD GLU A 9 4.271 -1.422 -4.563 1.00 0.00 C ATOM 90 OE1 GLU A 9 4.601 -2.619 -4.436 1.00 0.00 O ATOM 91 OE2 GLU A 9 5.078 -0.474 -4.461 1.00 0.00 O ATOM 0 H GLU A 9 -0.062 -2.236 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 9 2.239 -3.625 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.030 -0.857 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.407 -1.419 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.519 -1.596 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.713 -0.029 -5.020 1.00 0.00 H new ATOM 98 N GLU A 10 1.535 -3.897 -1.628 1.00 0.00 N ATOM 99 CA GLU A 10 1.025 -4.355 -0.341 1.00 0.00 C ATOM 100 C GLU A 10 1.313 -3.331 0.754 1.00 0.00 C ATOM 101 O GLU A 10 2.460 -3.153 1.164 1.00 0.00 O ATOM 102 CB GLU A 10 1.648 -5.703 0.028 1.00 0.00 C ATOM 103 CG GLU A 10 3.163 -5.665 0.130 1.00 0.00 C ATOM 104 CD GLU A 10 3.790 -7.040 0.002 1.00 0.00 C ATOM 105 OE1 GLU A 10 3.749 -7.609 -1.109 1.00 0.00 O ATOM 106 OE2 GLU A 10 4.321 -7.547 1.012 1.00 0.00 O ATOM 0 H GLU A 10 2.546 -3.983 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.055 -4.474 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.236 -6.035 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.361 -6.443 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.560 -5.015 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.448 -5.227 1.086 1.00 0.00 H new ATOM 113 N TRP A 11 0.265 -2.663 1.220 1.00 0.00 N ATOM 114 CA TRP A 11 0.405 -1.657 2.267 1.00 0.00 C ATOM 115 C TRP A 11 -0.421 -2.029 3.494 1.00 0.00 C ATOM 116 O TRP A 11 -1.592 -2.387 3.380 1.00 0.00 O ATOM 117 CB TRP A 11 -0.025 -0.285 1.745 1.00 0.00 C ATOM 118 CG TRP A 11 1.044 0.412 0.958 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.612 -0.013 -0.208 1.00 0.00 C ATOM 120 CD2 TRP A 11 1.670 1.658 1.280 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.556 0.892 -0.630 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.610 1.927 0.266 1.00 0.00 C ATOM 123 CE3 TRP A 11 1.529 2.573 2.327 1.00 0.00 C ATOM 124 CZ2 TRP A 11 3.403 3.072 0.270 1.00 0.00 C ATOM 125 CZ3 TRP A 11 2.317 3.709 2.329 1.00 0.00 C ATOM 126 CH2 TRP A 11 3.243 3.951 1.306 1.00 0.00 C ATOM 0 H TRP A 11 -0.691 -2.799 0.890 1.00 0.00 H new ATOM 0 HA TRP A 11 1.455 -1.615 2.558 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.909 -0.403 1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.313 0.343 2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.357 -0.927 -0.724 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.124 0.807 -1.473 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.818 2.396 3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.119 3.259 -0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.217 4.423 3.134 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.842 4.849 1.336 1.00 0.00 H new ATOM 137 N SER A 12 0.199 -1.941 4.667 1.00 0.00 N ATOM 138 CA SER A 12 -0.479 -2.273 5.915 1.00 0.00 C ATOM 139 C SER A 12 -1.126 -1.034 6.527 1.00 0.00 C ATOM 140 O SER A 12 -0.936 0.081 6.044 1.00 0.00 O ATOM 141 CB SER A 12 0.508 -2.890 6.907 1.00 0.00 C ATOM 142 OG SER A 12 1.038 -4.107 6.410 1.00 0.00 O ATOM 0 H SER A 12 1.168 -1.643 4.779 1.00 0.00 H new ATOM 0 HA SER A 12 -1.262 -2.999 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.320 -2.189 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.008 -3.069 7.859 1.00 0.00 H new ATOM 0 HG SER A 12 1.667 -4.480 7.062 1.00 0.00 H new ATOM 148 N ALA A 13 -1.892 -1.241 7.594 1.00 0.00 N ATOM 149 CA ALA A 13 -2.566 -0.142 8.274 1.00 0.00 C ATOM 150 C ALA A 13 -1.563 0.889 8.777 1.00 0.00 C ATOM 151 O ALA A 13 -1.681 2.079 8.483 1.00 0.00 O ATOM 152 CB ALA A 13 -3.405 -0.672 9.428 1.00 0.00 C ATOM 0 H ALA A 13 -2.061 -2.159 8.005 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.223 0.349 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.903 0.159 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.153 -1.366 9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.761 -1.189 10.139 1.00 0.00 H new ATOM 158 N SER A 14 -0.575 0.427 9.538 1.00 0.00 N ATOM 159 CA SER A 14 0.446 1.312 10.086 1.00 0.00 C ATOM 160 C SER A 14 0.957 2.278 9.021 1.00 0.00 C ATOM 161 O SER A 14 0.917 3.494 9.202 1.00 0.00 O ATOM 162 CB SER A 14 1.610 0.494 10.649 1.00 0.00 C ATOM 163 OG SER A 14 1.345 0.077 11.977 1.00 0.00 O ATOM 0 H SER A 14 -0.460 -0.555 9.789 1.00 0.00 H new ATOM 0 HA SER A 14 -0.005 1.892 10.891 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.784 -0.378 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.522 1.091 10.627 1.00 0.00 H new ATOM 0 HG SER A 14 2.103 -0.445 12.313 1.00 0.00 H new ATOM 169 N GLU A 15 1.436 1.726 7.911 1.00 0.00 N ATOM 170 CA GLU A 15 1.955 2.537 6.816 1.00 0.00 C ATOM 171 C GLU A 15 0.854 3.407 6.215 1.00 0.00 C ATOM 172 O GLU A 15 1.016 4.618 6.068 1.00 0.00 O ATOM 173 CB GLU A 15 2.564 1.645 5.734 1.00 0.00 C ATOM 174 CG GLU A 15 3.874 0.995 6.146 1.00 0.00 C ATOM 175 CD GLU A 15 3.670 -0.210 7.043 1.00 0.00 C ATOM 176 OE1 GLU A 15 3.283 -1.278 6.523 1.00 0.00 O ATOM 177 OE2 GLU A 15 3.896 -0.087 8.265 1.00 0.00 O ATOM 0 H GLU A 15 1.475 0.720 7.746 1.00 0.00 H new ATOM 0 HA GLU A 15 2.731 3.189 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.848 0.866 5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.730 2.240 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.421 0.691 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.492 1.728 6.664 1.00 0.00 H new ATOM 184 N ALA A 16 -0.265 2.779 5.868 1.00 0.00 N ATOM 185 CA ALA A 16 -1.392 3.495 5.284 1.00 0.00 C ATOM 186 C ALA A 16 -1.656 4.801 6.024 1.00 0.00 C ATOM 187 O ALA A 16 -1.676 5.875 5.418 1.00 0.00 O ATOM 188 CB ALA A 16 -2.636 2.619 5.296 1.00 0.00 C ATOM 0 H ALA A 16 -0.415 1.776 5.981 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.141 3.738 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.470 3.166 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.450 1.715 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.880 2.348 6.323 1.00 0.00 H new ATOM 194 N CYS A 17 -1.858 4.705 7.333 1.00 0.00 N ATOM 195 CA CYS A 17 -2.122 5.881 8.155 1.00 0.00 C ATOM 196 C CYS A 17 -0.951 6.856 8.100 1.00 0.00 C ATOM 197 O CYS A 17 -1.138 8.058 7.910 1.00 0.00 O ATOM 198 CB CYS A 17 -2.390 5.467 9.602 1.00 0.00 C ATOM 199 SG CYS A 17 -4.089 4.931 9.914 1.00 0.00 S ATOM 0 H CYS A 17 -1.844 3.825 7.848 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.006 6.381 7.759 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.710 4.658 9.869 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.159 6.307 10.258 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.217 4.599 11.164 1.00 0.00 H new ATOM 205 N LEU A 18 0.258 6.331 8.272 1.00 0.00 N ATOM 206 CA LEU A 18 1.461 7.155 8.244 1.00 0.00 C ATOM 207 C LEU A 18 1.468 8.067 7.022 1.00 0.00 C ATOM 208 O LEU A 18 1.825 9.243 7.113 1.00 0.00 O ATOM 209 CB LEU A 18 2.709 6.271 8.243 1.00 0.00 C ATOM 210 CG LEU A 18 3.273 5.904 9.615 1.00 0.00 C ATOM 211 CD1 LEU A 18 4.116 4.641 9.526 1.00 0.00 C ATOM 212 CD2 LEU A 18 4.093 7.055 10.180 1.00 0.00 C ATOM 0 H LEU A 18 0.430 5.339 8.432 1.00 0.00 H new ATOM 0 HA LEU A 18 1.466 7.778 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.476 5.349 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.489 6.779 7.676 1.00 0.00 H new ATOM 0 HG LEU A 18 2.438 5.713 10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.509 4.396 10.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.500 3.817 9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.944 4.804 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.487 6.776 11.157 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.920 7.278 9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.460 7.937 10.282 1.00 0.00 H new ATOM 224 N PHE A 19 1.070 7.520 5.878 1.00 0.00 N ATOM 225 CA PHE A 19 1.030 8.284 4.637 1.00 0.00 C ATOM 226 C PHE A 19 0.105 9.490 4.771 1.00 0.00 C ATOM 227 O PHE A 19 0.554 10.635 4.751 1.00 0.00 O ATOM 228 CB PHE A 19 0.565 7.395 3.481 1.00 0.00 C ATOM 229 CG PHE A 19 0.388 8.139 2.188 1.00 0.00 C ATOM 230 CD1 PHE A 19 1.485 8.643 1.508 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.875 8.332 1.652 1.00 0.00 C ATOM 232 CE1 PHE A 19 1.325 9.328 0.317 1.00 0.00 C ATOM 233 CE2 PHE A 19 -1.041 9.015 0.462 1.00 0.00 C ATOM 234 CZ PHE A 19 0.060 9.515 -0.206 1.00 0.00 C ATOM 0 H PHE A 19 0.770 6.549 5.785 1.00 0.00 H new ATOM 0 HA PHE A 19 2.038 8.643 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.290 6.594 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.380 6.924 3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.476 8.499 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.740 7.944 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.188 9.716 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.031 9.158 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.068 10.051 -1.135 1.00 0.00 H new ATOM 244 N GLU A 20 -1.191 9.222 4.908 1.00 0.00 N ATOM 245 CA GLU A 20 -2.180 10.285 5.043 1.00 0.00 C ATOM 246 C GLU A 20 -1.614 11.456 5.842 1.00 0.00 C ATOM 247 O GLU A 20 -1.526 12.577 5.341 1.00 0.00 O ATOM 248 CB GLU A 20 -3.443 9.753 5.723 1.00 0.00 C ATOM 249 CG GLU A 20 -4.222 8.765 4.871 1.00 0.00 C ATOM 250 CD GLU A 20 -5.444 8.218 5.583 1.00 0.00 C ATOM 251 OE1 GLU A 20 -6.502 8.880 5.539 1.00 0.00 O ATOM 252 OE2 GLU A 20 -5.344 7.128 6.184 1.00 0.00 O ATOM 0 H GLU A 20 -1.579 8.279 4.928 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.435 10.638 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.165 9.272 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.091 10.592 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.532 9.253 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.569 7.938 4.591 1.00 0.00 H new ATOM 259 N GLU A 21 -1.232 11.186 7.087 1.00 0.00 N ATOM 260 CA GLU A 21 -0.676 12.217 7.955 1.00 0.00 C ATOM 261 C GLU A 21 0.574 12.834 7.336 1.00 0.00 C ATOM 262 O GLU A 21 0.836 14.025 7.494 1.00 0.00 O ATOM 263 CB GLU A 21 -0.343 11.633 9.329 1.00 0.00 C ATOM 264 CG GLU A 21 0.645 10.480 9.277 1.00 0.00 C ATOM 265 CD GLU A 21 0.942 9.904 10.648 1.00 0.00 C ATOM 266 OE1 GLU A 21 0.042 9.264 11.230 1.00 0.00 O ATOM 267 OE2 GLU A 21 2.075 10.093 11.140 1.00 0.00 O ATOM 0 H GLU A 21 -1.298 10.263 7.516 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.426 12.999 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.065 12.422 9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.264 11.291 9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.247 9.694 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.574 10.823 8.822 1.00 0.00 H new ATOM 274 N ALA A 22 1.345 12.012 6.629 1.00 0.00 N ATOM 275 CA ALA A 22 2.568 12.476 5.986 1.00 0.00 C ATOM 276 C ALA A 22 2.283 13.640 5.042 1.00 0.00 C ATOM 277 O ALA A 22 2.950 14.674 5.098 1.00 0.00 O ATOM 278 CB ALA A 22 3.233 11.333 5.232 1.00 0.00 C ATOM 0 H ALA A 22 1.144 11.022 6.488 1.00 0.00 H new ATOM 0 HA ALA A 22 3.247 12.829 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.145 11.693 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.479 10.532 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.552 10.955 4.470 1.00 0.00 H new ATOM 284 N LEU A 23 1.292 13.464 4.176 1.00 0.00 N ATOM 285 CA LEU A 23 0.919 14.501 3.219 1.00 0.00 C ATOM 286 C LEU A 23 0.372 15.732 3.935 1.00 0.00 C ATOM 287 O LEU A 23 0.337 16.825 3.371 1.00 0.00 O ATOM 288 CB LEU A 23 -0.121 13.964 2.235 1.00 0.00 C ATOM 289 CG LEU A 23 -0.116 14.595 0.843 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.183 14.282 0.119 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.311 14.111 0.033 1.00 0.00 C ATOM 0 H LEU A 23 0.732 12.614 4.116 1.00 0.00 H new ATOM 0 HA LEU A 23 1.814 14.792 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.032 12.890 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.110 14.102 2.671 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.193 15.676 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.168 14.740 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.022 14.679 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.292 13.202 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.291 14.571 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.266 13.027 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.233 14.389 0.544 1.00 0.00 H new ATOM 303 N GLU A 24 -0.053 15.545 5.181 1.00 0.00 N ATOM 304 CA GLU A 24 -0.598 16.641 5.974 1.00 0.00 C ATOM 305 C GLU A 24 0.517 17.417 6.669 1.00 0.00 C ATOM 306 O GLU A 24 0.468 18.643 6.770 1.00 0.00 O ATOM 307 CB GLU A 24 -1.586 16.107 7.012 1.00 0.00 C ATOM 308 CG GLU A 24 -2.953 15.773 6.437 1.00 0.00 C ATOM 309 CD GLU A 24 -3.990 15.513 7.512 1.00 0.00 C ATOM 310 OE1 GLU A 24 -4.383 16.476 8.202 1.00 0.00 O ATOM 311 OE2 GLU A 24 -4.409 14.346 7.663 1.00 0.00 O ATOM 0 H GLU A 24 -0.030 14.646 5.662 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.122 17.318 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.167 15.213 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.705 16.848 7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.288 16.596 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.869 14.894 5.798 1.00 0.00 H new ATOM 318 N LYS A 25 1.523 16.693 7.149 1.00 0.00 N ATOM 319 CA LYS A 25 2.653 17.310 7.833 1.00 0.00 C ATOM 320 C LYS A 25 3.666 17.853 6.832 1.00 0.00 C ATOM 321 O LYS A 25 3.903 19.059 6.765 1.00 0.00 O ATOM 322 CB LYS A 25 3.328 16.297 8.761 1.00 0.00 C ATOM 323 CG LYS A 25 4.443 16.893 9.602 1.00 0.00 C ATOM 324 CD LYS A 25 5.516 15.864 9.916 1.00 0.00 C ATOM 325 CE LYS A 25 5.202 15.104 11.196 1.00 0.00 C ATOM 326 NZ LYS A 25 6.439 14.661 11.897 1.00 0.00 N ATOM 0 H LYS A 25 1.578 15.677 7.077 1.00 0.00 H new ATOM 0 HA LYS A 25 2.275 18.143 8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.577 15.865 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.732 15.481 8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.889 17.735 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.029 17.284 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.602 15.162 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.481 16.361 10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.616 15.739 11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.587 14.235 10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.182 14.147 12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.986 14.035 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.014 15.491 12.145 1.00 0.00 H new ATOM 340 N TYR A 26 4.261 16.956 6.053 1.00 0.00 N ATOM 341 CA TYR A 26 5.249 17.346 5.054 1.00 0.00 C ATOM 342 C TYR A 26 4.572 17.858 3.788 1.00 0.00 C ATOM 343 O TYR A 26 4.701 19.028 3.431 1.00 0.00 O ATOM 344 CB TYR A 26 6.157 16.162 4.717 1.00 0.00 C ATOM 345 CG TYR A 26 7.254 15.930 5.733 1.00 0.00 C ATOM 346 CD1 TYR A 26 8.051 16.978 6.174 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.490 14.664 6.251 1.00 0.00 C ATOM 348 CE1 TYR A 26 9.054 16.772 7.101 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.491 14.447 7.180 1.00 0.00 C ATOM 350 CZ TYR A 26 9.270 15.504 7.602 1.00 0.00 C ATOM 351 OH TYR A 26 10.266 15.294 8.526 1.00 0.00 O ATOM 0 H TYR A 26 4.076 15.954 6.094 1.00 0.00 H new ATOM 0 HA TYR A 26 5.852 18.152 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.550 15.260 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.609 16.328 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.884 17.972 5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.881 13.834 5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.666 17.598 7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.662 13.456 7.573 1.00 0.00 H new ATOM 0 HH TYR A 26 10.285 14.347 8.777 1.00 0.00 H new ATOM 361 N GLY A 27 3.847 16.972 3.111 1.00 0.00 N ATOM 362 CA GLY A 27 3.159 17.353 1.891 1.00 0.00 C ATOM 363 C GLY A 27 3.671 16.602 0.678 1.00 0.00 C ATOM 364 O GLY A 27 4.027 15.427 0.770 1.00 0.00 O ATOM 0 H GLY A 27 3.724 15.997 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.091 17.166 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.280 18.424 1.729 1.00 0.00 H new ATOM 368 N LYS A 28 3.707 17.281 -0.463 1.00 0.00 N ATOM 369 CA LYS A 28 4.178 16.672 -1.702 1.00 0.00 C ATOM 370 C LYS A 28 5.700 16.564 -1.710 1.00 0.00 C ATOM 371 O LYS A 28 6.353 16.940 -2.683 1.00 0.00 O ATOM 372 CB LYS A 28 3.709 17.487 -2.907 1.00 0.00 C ATOM 373 CG LYS A 28 2.202 17.479 -3.096 1.00 0.00 C ATOM 374 CD LYS A 28 1.724 16.177 -3.716 1.00 0.00 C ATOM 375 CE LYS A 28 1.975 16.147 -5.215 1.00 0.00 C ATOM 376 NZ LYS A 28 1.022 17.020 -5.955 1.00 0.00 N ATOM 0 H LYS A 28 3.416 18.254 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 28 3.758 15.668 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.047 18.517 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.182 17.094 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.713 17.625 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.910 18.315 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.236 15.339 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.659 16.050 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.996 16.470 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.886 15.123 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.112 16.845 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.050 16.808 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.238 18.017 -5.755 1.00 0.00 H new ATOM 390 N ASP A 29 6.258 16.048 -0.619 1.00 0.00 N ATOM 391 CA ASP A 29 7.703 15.889 -0.503 1.00 0.00 C ATOM 392 C ASP A 29 8.061 14.464 -0.091 1.00 0.00 C ATOM 393 O ASP A 29 8.569 14.233 1.007 1.00 0.00 O ATOM 394 CB ASP A 29 8.267 16.883 0.513 1.00 0.00 C ATOM 395 CG ASP A 29 8.665 18.199 -0.126 1.00 0.00 C ATOM 396 OD1 ASP A 29 7.783 18.871 -0.701 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.860 18.557 -0.051 1.00 0.00 O ATOM 0 H ASP A 29 5.732 15.733 0.196 1.00 0.00 H new ATOM 0 HA ASP A 29 8.145 16.089 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.523 17.069 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.135 16.443 1.004 1.00 0.00 H new ATOM 402 N PHE A 30 7.792 13.511 -0.978 1.00 0.00 N ATOM 403 CA PHE A 30 8.084 12.109 -0.706 1.00 0.00 C ATOM 404 C PHE A 30 9.465 11.953 -0.076 1.00 0.00 C ATOM 405 O PHE A 30 9.658 11.145 0.831 1.00 0.00 O ATOM 406 CB PHE A 30 8.003 11.290 -1.995 1.00 0.00 C ATOM 407 CG PHE A 30 6.973 11.796 -2.964 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.703 12.140 -2.528 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.274 11.930 -4.310 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.753 12.605 -3.417 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.329 12.395 -5.204 1.00 0.00 C ATOM 412 CZ PHE A 30 5.067 12.734 -4.756 1.00 0.00 C ATOM 0 H PHE A 30 7.372 13.685 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 30 7.339 11.739 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.979 11.294 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.776 10.254 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.453 12.043 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.260 11.668 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.766 12.867 -3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.576 12.493 -6.251 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.327 13.100 -5.452 1.00 0.00 H new ATOM 422 N ASN A 31 10.424 12.732 -0.566 1.00 0.00 N ATOM 423 CA ASN A 31 11.788 12.681 -0.054 1.00 0.00 C ATOM 424 C ASN A 31 11.797 12.707 1.471 1.00 0.00 C ATOM 425 O ASN A 31 12.311 11.792 2.115 1.00 0.00 O ATOM 426 CB ASN A 31 12.605 13.854 -0.599 1.00 0.00 C ATOM 427 CG ASN A 31 12.700 13.837 -2.113 1.00 0.00 C ATOM 428 OD1 ASN A 31 12.041 14.622 -2.795 1.00 0.00 O ATOM 429 ND2 ASN A 31 13.522 12.941 -2.645 1.00 0.00 N ATOM 0 H ASN A 31 10.281 13.407 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 31 12.240 11.747 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.151 14.791 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.608 13.823 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.627 12.883 -3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.049 12.310 -2.041 1.00 0.00 H new ATOM 436 N ASP A 32 11.226 13.761 2.043 1.00 0.00 N ATOM 437 CA ASP A 32 11.165 13.906 3.493 1.00 0.00 C ATOM 438 C ASP A 32 10.544 12.670 4.138 1.00 0.00 C ATOM 439 O ASP A 32 11.162 12.024 4.983 1.00 0.00 O ATOM 440 CB ASP A 32 10.362 15.152 3.870 1.00 0.00 C ATOM 441 CG ASP A 32 10.984 16.426 3.334 1.00 0.00 C ATOM 442 OD1 ASP A 32 11.459 16.415 2.179 1.00 0.00 O ATOM 443 OD2 ASP A 32 10.995 17.435 4.068 1.00 0.00 O ATOM 0 H ASP A 32 10.798 14.528 1.524 1.00 0.00 H new ATOM 0 HA ASP A 32 12.184 14.014 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.347 15.057 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.286 15.217 4.955 1.00 0.00 H new ATOM 448 N ILE A 33 9.319 12.351 3.733 1.00 0.00 N ATOM 449 CA ILE A 33 8.616 11.193 4.272 1.00 0.00 C ATOM 450 C ILE A 33 9.496 9.948 4.233 1.00 0.00 C ATOM 451 O ILE A 33 9.921 9.445 5.272 1.00 0.00 O ATOM 452 CB ILE A 33 7.316 10.914 3.494 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.414 12.150 3.505 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.590 9.717 4.090 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.459 12.211 2.332 1.00 0.00 C ATOM 0 H ILE A 33 8.794 12.877 3.035 1.00 0.00 H new ATOM 0 HA ILE A 33 8.368 11.427 5.307 1.00 0.00 H new ATOM 0 HB ILE A 33 7.571 10.683 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.840 12.163 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.037 13.045 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.673 9.532 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.232 8.838 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.344 9.923 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.851 13.113 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.026 12.230 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.811 11.335 2.344 1.00 0.00 H new ATOM 467 N ARG A 34 9.764 9.457 3.028 1.00 0.00 N ATOM 468 CA ARG A 34 10.594 8.272 2.854 1.00 0.00 C ATOM 469 C ARG A 34 11.858 8.362 3.704 1.00 0.00 C ATOM 470 O ARG A 34 12.487 7.349 4.006 1.00 0.00 O ATOM 471 CB ARG A 34 10.970 8.097 1.381 1.00 0.00 C ATOM 472 CG ARG A 34 12.035 7.040 1.146 1.00 0.00 C ATOM 473 CD ARG A 34 12.581 7.105 -0.272 1.00 0.00 C ATOM 474 NE ARG A 34 13.641 8.101 -0.406 1.00 0.00 N ATOM 475 CZ ARG A 34 14.807 8.021 0.225 1.00 0.00 C ATOM 476 NH1 ARG A 34 15.062 6.998 1.029 1.00 0.00 N ATOM 477 NH2 ARG A 34 15.722 8.968 0.053 1.00 0.00 N ATOM 0 H ARG A 34 9.418 9.862 2.158 1.00 0.00 H new ATOM 0 HA ARG A 34 10.018 7.406 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.076 7.832 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.324 9.051 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.849 7.178 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.615 6.051 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.966 6.126 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.771 7.343 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 34 13.477 8.901 -1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.362 6.269 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.959 6.940 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.529 9.757 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.617 8.906 0.538 1.00 0.00 H new ATOM 491 N GLN A 35 12.222 9.582 4.086 1.00 0.00 N ATOM 492 CA GLN A 35 13.410 9.805 4.900 1.00 0.00 C ATOM 493 C GLN A 35 13.209 9.271 6.315 1.00 0.00 C ATOM 494 O GLN A 35 13.895 8.341 6.741 1.00 0.00 O ATOM 495 CB GLN A 35 13.750 11.296 4.948 1.00 0.00 C ATOM 496 CG GLN A 35 15.231 11.576 5.144 1.00 0.00 C ATOM 497 CD GLN A 35 15.641 12.938 4.619 1.00 0.00 C ATOM 498 OE1 GLN A 35 15.299 13.970 5.198 1.00 0.00 O ATOM 499 NE2 GLN A 35 16.380 12.949 3.515 1.00 0.00 N ATOM 0 H GLN A 35 11.711 10.431 3.845 1.00 0.00 H new ATOM 0 HA GLN A 35 14.239 9.266 4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.419 11.766 4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.190 11.762 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.472 11.512 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.813 10.805 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.641 12.070 3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.686 13.836 3.115 1.00 0.00 H new ATOM 508 N ASP A 36 12.266 9.865 7.037 1.00 0.00 N ATOM 509 CA ASP A 36 11.974 9.449 8.404 1.00 0.00 C ATOM 510 C ASP A 36 10.678 8.645 8.462 1.00 0.00 C ATOM 511 O ASP A 36 10.662 7.508 8.934 1.00 0.00 O ATOM 512 CB ASP A 36 11.873 10.669 9.320 1.00 0.00 C ATOM 513 CG ASP A 36 13.219 11.089 9.877 1.00 0.00 C ATOM 514 OD1 ASP A 36 14.013 10.197 10.245 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.479 12.307 9.944 1.00 0.00 O ATOM 0 H ASP A 36 11.690 10.636 6.699 1.00 0.00 H new ATOM 0 HA ASP A 36 12.791 8.814 8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.437 11.500 8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.196 10.445 10.144 1.00 0.00 H new ATOM 520 N PHE A 37 9.595 9.244 7.979 1.00 0.00 N ATOM 521 CA PHE A 37 8.294 8.583 7.979 1.00 0.00 C ATOM 522 C PHE A 37 8.433 7.108 7.617 1.00 0.00 C ATOM 523 O PHE A 37 8.097 6.228 8.411 1.00 0.00 O ATOM 524 CB PHE A 37 7.349 9.275 6.993 1.00 0.00 C ATOM 525 CG PHE A 37 6.584 10.417 7.597 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.249 11.518 8.114 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.199 10.389 7.650 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.547 12.571 8.671 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.493 11.439 8.206 1.00 0.00 C ATOM 530 CZ PHE A 37 5.167 12.531 8.717 1.00 0.00 C ATOM 0 H PHE A 37 9.591 10.184 7.583 1.00 0.00 H new ATOM 0 HA PHE A 37 7.877 8.654 8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.927 9.643 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.643 8.542 6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.328 11.554 8.081 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.666 9.538 7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.077 13.424 9.070 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.414 11.406 8.241 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.616 13.352 9.152 1.00 0.00 H new ATOM 540 N LEU A 38 8.930 6.844 6.413 1.00 0.00 N ATOM 541 CA LEU A 38 9.114 5.474 5.945 1.00 0.00 C ATOM 542 C LEU A 38 10.478 5.304 5.283 1.00 0.00 C ATOM 543 O LEU A 38 10.643 5.510 4.081 1.00 0.00 O ATOM 544 CB LEU A 38 8.006 5.098 4.960 1.00 0.00 C ATOM 545 CG LEU A 38 6.574 5.336 5.438 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.647 5.568 4.254 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.089 4.161 6.274 1.00 0.00 C ATOM 0 H LEU A 38 9.213 7.560 5.744 1.00 0.00 H new ATOM 0 HA LEU A 38 9.064 4.811 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.159 5.662 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.113 4.043 4.709 1.00 0.00 H new ATOM 0 HG LEU A 38 6.564 6.230 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.632 5.736 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.983 6.441 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.662 4.693 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.068 4.348 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.115 3.252 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.736 4.041 7.143 1.00 0.00 H new ATOM 559 N PRO A 39 11.481 4.914 6.085 1.00 0.00 N ATOM 560 CA PRO A 39 12.847 4.705 5.600 1.00 0.00 C ATOM 561 C PRO A 39 12.960 3.478 4.700 1.00 0.00 C ATOM 562 O PRO A 39 13.795 3.435 3.796 1.00 0.00 O ATOM 563 CB PRO A 39 13.653 4.501 6.885 1.00 0.00 C ATOM 564 CG PRO A 39 12.664 3.993 7.877 1.00 0.00 C ATOM 565 CD PRO A 39 11.356 4.649 7.529 1.00 0.00 C ATOM 0 HA PRO A 39 13.195 5.539 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.464 3.789 6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.106 5.434 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.582 2.907 7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.968 4.242 8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.509 3.998 7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.204 5.568 8.095 1.00 0.00 H new ATOM 573 N TRP A 40 12.116 2.485 4.954 1.00 0.00 N ATOM 574 CA TRP A 40 12.122 1.257 4.165 1.00 0.00 C ATOM 575 C TRP A 40 11.394 1.458 2.841 1.00 0.00 C ATOM 576 O TRP A 40 11.861 1.016 1.791 1.00 0.00 O ATOM 577 CB TRP A 40 11.471 0.119 4.952 1.00 0.00 C ATOM 578 CG TRP A 40 10.101 0.454 5.460 1.00 0.00 C ATOM 579 CD1 TRP A 40 8.924 0.336 4.778 1.00 0.00 C ATOM 580 CD2 TRP A 40 9.769 0.964 6.755 1.00 0.00 C ATOM 581 NE1 TRP A 40 7.879 0.742 5.573 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.371 1.131 6.791 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.515 1.294 7.890 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.708 1.615 7.916 1.00 0.00 C ATOM 585 CZ3 TRP A 40 9.855 1.774 9.005 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.463 1.930 9.012 1.00 0.00 C ATOM 0 H TRP A 40 11.419 2.505 5.699 1.00 0.00 H new ATOM 0 HA TRP A 40 13.158 0.995 3.952 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.409 -0.764 4.316 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.110 -0.141 5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.828 -0.023 3.764 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.896 0.752 5.300 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.589 1.176 7.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.635 1.737 7.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.422 2.033 9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 40 7.977 2.306 9.900 1.00 0.00 H new ATOM 597 N LYS A 41 10.246 2.126 2.897 1.00 0.00 N ATOM 598 CA LYS A 41 9.453 2.387 1.701 1.00 0.00 C ATOM 599 C LYS A 41 10.287 3.097 0.640 1.00 0.00 C ATOM 600 O LYS A 41 11.197 3.862 0.959 1.00 0.00 O ATOM 601 CB LYS A 41 8.228 3.232 2.052 1.00 0.00 C ATOM 602 CG LYS A 41 7.167 2.472 2.830 1.00 0.00 C ATOM 603 CD LYS A 41 6.449 1.461 1.953 1.00 0.00 C ATOM 604 CE LYS A 41 5.685 0.444 2.787 1.00 0.00 C ATOM 605 NZ LYS A 41 5.309 -0.756 1.989 1.00 0.00 N ATOM 0 H LYS A 41 9.844 2.496 3.758 1.00 0.00 H new ATOM 0 HA LYS A 41 9.123 1.430 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.548 4.094 2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.787 3.616 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.630 1.959 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.444 3.175 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.759 1.980 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.173 0.946 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.296 0.139 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.785 0.908 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.790 -1.425 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.705 -0.468 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.169 -1.214 1.624 1.00 0.00 H new ATOM 619 N SER A 42 9.970 2.839 -0.625 1.00 0.00 N ATOM 620 CA SER A 42 10.691 3.452 -1.734 1.00 0.00 C ATOM 621 C SER A 42 10.124 4.832 -2.055 1.00 0.00 C ATOM 622 O SER A 42 9.034 5.188 -1.606 1.00 0.00 O ATOM 623 CB SER A 42 10.619 2.558 -2.974 1.00 0.00 C ATOM 624 OG SER A 42 11.701 1.645 -3.007 1.00 0.00 O ATOM 0 H SER A 42 9.219 2.210 -0.907 1.00 0.00 H new ATOM 0 HA SER A 42 11.734 3.567 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.677 2.010 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.632 3.175 -3.872 1.00 0.00 H new ATOM 0 HG SER A 42 11.631 1.084 -3.808 1.00 0.00 H new ATOM 630 N LEU A 43 10.872 5.606 -2.834 1.00 0.00 N ATOM 631 CA LEU A 43 10.446 6.947 -3.216 1.00 0.00 C ATOM 632 C LEU A 43 9.112 6.906 -3.955 1.00 0.00 C ATOM 633 O LEU A 43 8.106 7.428 -3.473 1.00 0.00 O ATOM 634 CB LEU A 43 11.508 7.610 -4.095 1.00 0.00 C ATOM 635 CG LEU A 43 11.436 9.134 -4.201 1.00 0.00 C ATOM 636 CD1 LEU A 43 10.125 9.563 -4.841 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.595 9.772 -2.829 1.00 0.00 C ATOM 0 H LEU A 43 11.777 5.327 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 43 10.318 7.533 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.491 7.339 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.433 7.192 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 43 12.255 9.474 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.092 10.650 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.051 9.135 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.291 9.211 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.541 10.857 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.798 9.425 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.560 9.492 -2.407 1.00 0.00 H new ATOM 649 N THR A 44 9.110 6.277 -5.127 1.00 0.00 N ATOM 650 CA THR A 44 7.899 6.166 -5.931 1.00 0.00 C ATOM 651 C THR A 44 6.841 5.331 -5.218 1.00 0.00 C ATOM 652 O THR A 44 5.674 5.719 -5.150 1.00 0.00 O ATOM 653 CB THR A 44 8.195 5.535 -7.305 1.00 0.00 C ATOM 654 OG1 THR A 44 9.477 5.965 -7.776 1.00 0.00 O ATOM 655 CG2 THR A 44 7.124 5.917 -8.316 1.00 0.00 C ATOM 0 H THR A 44 9.933 5.837 -5.540 1.00 0.00 H new ATOM 0 HA THR A 44 7.521 7.178 -6.077 1.00 0.00 H new ATOM 0 HB THR A 44 8.196 4.451 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.658 5.558 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.353 5.461 -9.279 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.153 5.563 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.097 7.001 -8.426 1.00 0.00 H new ATOM 663 N SER A 45 7.254 4.185 -4.690 1.00 0.00 N ATOM 664 CA SER A 45 6.340 3.294 -3.984 1.00 0.00 C ATOM 665 C SER A 45 5.333 4.090 -3.161 1.00 0.00 C ATOM 666 O SER A 45 4.129 3.845 -3.228 1.00 0.00 O ATOM 667 CB SER A 45 7.122 2.343 -3.075 1.00 0.00 C ATOM 668 OG SER A 45 7.674 1.268 -3.816 1.00 0.00 O ATOM 0 H SER A 45 8.216 3.850 -4.737 1.00 0.00 H new ATOM 0 HA SER A 45 5.795 2.710 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.920 2.890 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.464 1.953 -2.299 1.00 0.00 H new ATOM 0 HG SER A 45 6.960 0.649 -4.076 1.00 0.00 H new ATOM 674 N ILE A 46 5.836 5.044 -2.385 1.00 0.00 N ATOM 675 CA ILE A 46 4.981 5.877 -1.548 1.00 0.00 C ATOM 676 C ILE A 46 4.024 6.708 -2.396 1.00 0.00 C ATOM 677 O ILE A 46 2.862 6.895 -2.035 1.00 0.00 O ATOM 678 CB ILE A 46 5.811 6.820 -0.658 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.713 6.011 0.279 1.00 0.00 C ATOM 680 CG2 ILE A 46 4.896 7.737 0.141 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.864 6.809 0.847 1.00 0.00 C ATOM 0 H ILE A 46 6.831 5.259 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 46 4.408 5.202 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 46 6.443 7.436 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.112 5.620 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.109 5.152 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.498 8.398 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.292 8.334 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.242 7.137 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.460 6.173 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.488 7.178 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.475 7.653 1.417 1.00 0.00 H new ATOM 693 N ILE A 47 4.521 7.204 -3.525 1.00 0.00 N ATOM 694 CA ILE A 47 3.711 8.012 -4.426 1.00 0.00 C ATOM 695 C ILE A 47 2.520 7.219 -4.955 1.00 0.00 C ATOM 696 O ILE A 47 1.372 7.639 -4.816 1.00 0.00 O ATOM 697 CB ILE A 47 4.538 8.531 -5.616 1.00 0.00 C ATOM 698 CG1 ILE A 47 5.708 9.383 -5.120 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.658 9.332 -6.565 1.00 0.00 C ATOM 700 CD1 ILE A 47 6.708 9.724 -6.202 1.00 0.00 C ATOM 0 H ILE A 47 5.481 7.060 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 47 3.350 8.863 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 47 4.940 7.676 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.319 10.307 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.220 8.851 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.258 9.692 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.856 8.697 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.229 10.182 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.510 10.329 -5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.126 8.805 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.210 10.284 -6.994 1.00 0.00 H new ATOM 712 N GLU A 48 2.804 6.070 -5.562 1.00 0.00 N ATOM 713 CA GLU A 48 1.756 5.218 -6.112 1.00 0.00 C ATOM 714 C GLU A 48 0.496 5.283 -5.252 1.00 0.00 C ATOM 715 O GLU A 48 -0.607 5.480 -5.762 1.00 0.00 O ATOM 716 CB GLU A 48 2.244 3.772 -6.211 1.00 0.00 C ATOM 717 CG GLU A 48 2.950 3.457 -7.519 1.00 0.00 C ATOM 718 CD GLU A 48 3.395 2.011 -7.610 1.00 0.00 C ATOM 719 OE1 GLU A 48 4.403 1.659 -6.960 1.00 0.00 O ATOM 720 OE2 GLU A 48 2.737 1.230 -8.328 1.00 0.00 O ATOM 0 H GLU A 48 3.750 5.709 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 48 1.514 5.581 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.923 3.569 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.392 3.101 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.282 3.680 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.818 4.107 -7.624 1.00 0.00 H new ATOM 727 N TYR A 49 0.669 5.114 -3.945 1.00 0.00 N ATOM 728 CA TYR A 49 -0.453 5.149 -3.015 1.00 0.00 C ATOM 729 C TYR A 49 -1.253 6.439 -3.176 1.00 0.00 C ATOM 730 O TYR A 49 -2.479 6.414 -3.275 1.00 0.00 O ATOM 731 CB TYR A 49 0.046 5.021 -1.575 1.00 0.00 C ATOM 732 CG TYR A 49 -1.013 4.547 -0.607 1.00 0.00 C ATOM 733 CD1 TYR A 49 -1.363 3.203 -0.534 1.00 0.00 C ATOM 734 CD2 TYR A 49 -1.662 5.440 0.235 1.00 0.00 C ATOM 735 CE1 TYR A 49 -2.331 2.765 0.349 1.00 0.00 C ATOM 736 CE2 TYR A 49 -2.631 5.009 1.122 1.00 0.00 C ATOM 737 CZ TYR A 49 -2.962 3.672 1.175 1.00 0.00 C ATOM 738 OH TYR A 49 -3.925 3.239 2.057 1.00 0.00 O ATOM 0 H TYR A 49 1.575 4.952 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.106 4.306 -3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.885 4.326 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.423 5.988 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.870 2.490 -1.178 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.406 6.488 0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.592 1.718 0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.126 5.717 1.770 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.270 4.002 2.566 1.00 0.00 H new ATOM 748 N TYR A 50 -0.548 7.565 -3.199 1.00 0.00 N ATOM 749 CA TYR A 50 -1.190 8.866 -3.346 1.00 0.00 C ATOM 750 C TYR A 50 -2.418 8.769 -4.247 1.00 0.00 C ATOM 751 O TYR A 50 -3.486 9.284 -3.915 1.00 0.00 O ATOM 752 CB TYR A 50 -0.202 9.884 -3.918 1.00 0.00 C ATOM 753 CG TYR A 50 -0.797 11.260 -4.114 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.428 11.922 -3.067 1.00 0.00 C ATOM 755 CD2 TYR A 50 -0.729 11.900 -5.346 1.00 0.00 C ATOM 756 CE1 TYR A 50 -1.973 13.179 -3.241 1.00 0.00 C ATOM 757 CE2 TYR A 50 -1.271 13.157 -5.529 1.00 0.00 C ATOM 758 CZ TYR A 50 -1.892 13.792 -4.473 1.00 0.00 C ATOM 759 OH TYR A 50 -2.434 15.045 -4.653 1.00 0.00 O ATOM 0 H TYR A 50 0.468 7.603 -3.118 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.512 9.198 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.656 9.960 -3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.170 9.518 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.493 11.445 -2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.244 11.406 -6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.460 13.679 -2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.209 13.640 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.290 15.334 -5.578 1.00 0.00 H new ATOM 769 N TYR A 51 -2.256 8.107 -5.386 1.00 0.00 N ATOM 770 CA TYR A 51 -3.350 7.943 -6.336 1.00 0.00 C ATOM 771 C TYR A 51 -4.333 6.879 -5.859 1.00 0.00 C ATOM 772 O TYR A 51 -5.527 7.141 -5.720 1.00 0.00 O ATOM 773 CB TYR A 51 -2.803 7.565 -7.714 1.00 0.00 C ATOM 774 CG TYR A 51 -1.537 8.303 -8.087 1.00 0.00 C ATOM 775 CD1 TYR A 51 -1.570 9.648 -8.438 1.00 0.00 C ATOM 776 CD2 TYR A 51 -0.307 7.657 -8.086 1.00 0.00 C ATOM 777 CE1 TYR A 51 -0.416 10.325 -8.780 1.00 0.00 C ATOM 778 CE2 TYR A 51 0.853 8.327 -8.425 1.00 0.00 C ATOM 779 CZ TYR A 51 0.792 9.661 -8.772 1.00 0.00 C ATOM 780 OH TYR A 51 1.944 10.333 -9.110 1.00 0.00 O ATOM 0 H TYR A 51 -1.378 7.675 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.879 8.893 -6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.608 6.493 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.566 7.766 -8.466 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.514 10.172 -8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.257 6.613 -7.815 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.460 11.369 -9.052 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.801 7.810 -8.418 1.00 0.00 H new ATOM 0 HH TYR A 51 2.708 9.722 -9.053 1.00 0.00 H new ATOM 790 N MET A 52 -3.820 5.679 -5.607 1.00 0.00 N ATOM 791 CA MET A 52 -4.653 4.575 -5.143 1.00 0.00 C ATOM 792 C MET A 52 -5.441 4.975 -3.899 1.00 0.00 C ATOM 793 O MET A 52 -6.390 4.295 -3.509 1.00 0.00 O ATOM 794 CB MET A 52 -3.789 3.350 -4.840 1.00 0.00 C ATOM 795 CG MET A 52 -3.339 3.265 -3.390 1.00 0.00 C ATOM 796 SD MET A 52 -4.488 2.332 -2.361 1.00 0.00 S ATOM 797 CE MET A 52 -5.077 3.618 -1.263 1.00 0.00 C ATOM 0 H MET A 52 -2.833 5.446 -5.716 1.00 0.00 H new ATOM 0 HA MET A 52 -5.359 4.327 -5.935 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.350 2.450 -5.091 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.910 3.368 -5.484 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.355 2.797 -3.346 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.232 4.272 -2.987 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.101 3.241 -0.241 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.408 4.477 -1.317 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.081 3.920 -1.562 1.00 0.00 H new ATOM 807 N TRP A 53 -5.042 6.081 -3.282 1.00 0.00 N ATOM 808 CA TRP A 53 -5.711 6.570 -2.082 1.00 0.00 C ATOM 809 C TRP A 53 -6.773 7.607 -2.434 1.00 0.00 C ATOM 810 O TRP A 53 -7.904 7.540 -1.953 1.00 0.00 O ATOM 811 CB TRP A 53 -4.692 7.175 -1.114 1.00 0.00 C ATOM 812 CG TRP A 53 -5.295 7.617 0.185 1.00 0.00 C ATOM 813 CD1 TRP A 53 -5.707 6.815 1.211 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.555 8.963 0.596 1.00 0.00 C ATOM 815 NE1 TRP A 53 -6.209 7.583 2.234 1.00 0.00 N ATOM 816 CE2 TRP A 53 -6.125 8.904 1.882 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.361 10.213 0.002 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -6.502 10.046 2.583 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.735 11.347 0.699 1.00 0.00 C ATOM 820 CH2 TRP A 53 -6.299 11.257 1.978 1.00 0.00 C ATOM 0 H TRP A 53 -4.259 6.656 -3.593 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.201 5.724 -1.600 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.912 6.440 -0.913 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.210 8.028 -1.592 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.647 5.737 1.217 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.584 7.227 3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.927 10.292 -0.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.939 9.979 3.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.590 12.318 0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.579 12.161 2.497 1.00 0.00 H new ATOM 831 N LYS A 54 -6.402 8.564 -3.278 1.00 0.00 N ATOM 832 CA LYS A 54 -7.323 9.614 -3.697 1.00 0.00 C ATOM 833 C LYS A 54 -8.043 9.223 -4.984 1.00 0.00 C ATOM 834 O LYS A 54 -9.271 9.275 -5.060 1.00 0.00 O ATOM 835 CB LYS A 54 -6.569 10.930 -3.901 1.00 0.00 C ATOM 836 CG LYS A 54 -7.400 12.009 -4.574 1.00 0.00 C ATOM 837 CD LYS A 54 -8.377 12.647 -3.603 1.00 0.00 C ATOM 838 CE LYS A 54 -8.983 13.919 -4.176 1.00 0.00 C ATOM 839 NZ LYS A 54 -10.166 13.633 -5.033 1.00 0.00 N ATOM 0 H LYS A 54 -5.470 8.634 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.067 9.747 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.227 11.297 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.680 10.740 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.741 12.774 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.948 11.578 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.171 11.939 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.865 12.876 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.277 14.580 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.231 14.448 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.550 14.526 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.881 13.023 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.895 13.151 -4.469 1.00 0.00 H new ATOM 853 N THR A 55 -7.272 8.832 -5.994 1.00 0.00 N ATOM 854 CA THR A 55 -7.836 8.434 -7.276 1.00 0.00 C ATOM 855 C THR A 55 -8.707 7.190 -7.132 1.00 0.00 C ATOM 856 O THR A 55 -9.429 6.814 -8.055 1.00 0.00 O ATOM 857 CB THR A 55 -6.732 8.153 -8.313 1.00 0.00 C ATOM 858 OG1 THR A 55 -6.314 9.378 -8.927 1.00 0.00 O ATOM 859 CG2 THR A 55 -7.225 7.189 -9.382 1.00 0.00 C ATOM 0 H THR A 55 -6.254 8.783 -5.948 1.00 0.00 H new ATOM 0 HA THR A 55 -8.448 9.266 -7.623 1.00 0.00 H new ATOM 0 HB THR A 55 -5.887 7.697 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.611 9.191 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.428 7.006 -10.103 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.516 6.247 -8.916 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.085 7.622 -9.894 1.00 0.00 H new ATOM 867 N THR A 56 -8.636 6.556 -5.965 1.00 0.00 N ATOM 868 CA THR A 56 -9.418 5.356 -5.699 1.00 0.00 C ATOM 869 C THR A 56 -10.838 5.495 -6.232 1.00 0.00 C ATOM 870 O THR A 56 -11.394 6.594 -6.265 1.00 0.00 O ATOM 871 CB THR A 56 -9.476 5.046 -4.191 1.00 0.00 C ATOM 872 OG1 THR A 56 -10.482 4.061 -3.932 1.00 0.00 O ATOM 873 CG2 THR A 56 -9.773 6.305 -3.391 1.00 0.00 C ATOM 0 H THR A 56 -8.045 6.854 -5.189 1.00 0.00 H new ATOM 0 HA THR A 56 -8.919 4.534 -6.213 1.00 0.00 H new ATOM 0 HB THR A 56 -8.504 4.661 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.511 3.868 -2.972 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.809 6.061 -2.329 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.989 7.042 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.734 6.715 -3.702 1.00 0.00 H new ATOM 881 N ASP A 57 -11.422 4.377 -6.648 1.00 0.00 N ATOM 882 CA ASP A 57 -12.781 4.375 -7.180 1.00 0.00 C ATOM 883 C ASP A 57 -13.805 4.328 -6.050 1.00 0.00 C ATOM 884 O ASP A 57 -14.833 3.659 -6.159 1.00 0.00 O ATOM 885 CB ASP A 57 -12.982 3.183 -8.118 1.00 0.00 C ATOM 886 CG ASP A 57 -12.049 3.222 -9.311 1.00 0.00 C ATOM 887 OD1 ASP A 57 -10.851 2.910 -9.138 1.00 0.00 O ATOM 888 OD2 ASP A 57 -12.514 3.562 -10.418 1.00 0.00 O ATOM 0 H ASP A 57 -10.976 3.460 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.928 5.298 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.821 2.258 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.014 3.170 -8.468 1.00 0.00 H new ATOM 893 N ARG A 58 -13.517 5.041 -4.967 1.00 0.00 N ATOM 894 CA ARG A 58 -14.412 5.079 -3.817 1.00 0.00 C ATOM 895 C ARG A 58 -15.514 6.115 -4.019 1.00 0.00 C ATOM 896 O ARG A 58 -16.695 5.825 -3.829 1.00 0.00 O ATOM 897 CB ARG A 58 -13.626 5.397 -2.543 1.00 0.00 C ATOM 898 CG ARG A 58 -14.435 5.217 -1.268 1.00 0.00 C ATOM 899 CD ARG A 58 -14.663 3.747 -0.957 1.00 0.00 C ATOM 900 NE ARG A 58 -13.465 3.110 -0.413 1.00 0.00 N ATOM 901 CZ ARG A 58 -13.489 1.991 0.302 1.00 0.00 C ATOM 902 NH1 ARG A 58 -14.640 1.388 0.560 1.00 0.00 N ATOM 903 NH2 ARG A 58 -12.357 1.473 0.762 1.00 0.00 N ATOM 0 H ARG A 58 -12.671 5.600 -4.861 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.874 4.097 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.746 4.755 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.268 6.425 -2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.914 5.690 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.396 5.722 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.481 3.650 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.969 3.228 -1.865 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.562 3.549 -0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.513 1.783 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.654 0.529 1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.469 1.934 0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.375 0.614 1.311 1.00 0.00 H new ATOM 917 N TYR A 59 -15.120 7.323 -4.406 1.00 0.00 N ATOM 918 CA TYR A 59 -16.073 8.403 -4.631 1.00 0.00 C ATOM 919 C TYR A 59 -16.227 8.691 -6.121 1.00 0.00 C ATOM 920 O TYR A 59 -15.601 9.607 -6.657 1.00 0.00 O ATOM 921 CB TYR A 59 -15.625 9.668 -3.899 1.00 0.00 C ATOM 922 CG TYR A 59 -16.737 10.669 -3.684 1.00 0.00 C ATOM 923 CD1 TYR A 59 -17.359 11.290 -4.761 1.00 0.00 C ATOM 924 CD2 TYR A 59 -17.169 10.994 -2.404 1.00 0.00 C ATOM 925 CE1 TYR A 59 -18.374 12.206 -4.569 1.00 0.00 C ATOM 926 CE2 TYR A 59 -18.186 11.908 -2.202 1.00 0.00 C ATOM 927 CZ TYR A 59 -18.784 12.511 -3.289 1.00 0.00 C ATOM 928 OH TYR A 59 -19.797 13.422 -3.093 1.00 0.00 O ATOM 0 H TYR A 59 -14.146 7.579 -4.571 1.00 0.00 H new ATOM 0 HA TYR A 59 -17.040 8.088 -4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.207 9.389 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -14.825 10.143 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -17.043 11.052 -5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -16.702 10.524 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.844 12.681 -5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -18.510 12.148 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 59 -19.965 13.523 -2.133 1.00 0.00 H new ATOM 938 N VAL A 60 -17.066 7.903 -6.787 1.00 0.00 N ATOM 939 CA VAL A 60 -17.304 8.073 -8.215 1.00 0.00 C ATOM 940 C VAL A 60 -18.759 8.441 -8.489 1.00 0.00 C ATOM 941 O VAL A 60 -19.063 9.106 -9.478 1.00 0.00 O ATOM 942 CB VAL A 60 -16.953 6.795 -8.999 1.00 0.00 C ATOM 943 CG1 VAL A 60 -17.661 5.589 -8.400 1.00 0.00 C ATOM 944 CG2 VAL A 60 -17.311 6.957 -10.469 1.00 0.00 C ATOM 0 H VAL A 60 -17.592 7.141 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.657 8.884 -8.550 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.878 6.629 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.401 4.695 -8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -17.351 5.463 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.739 5.743 -8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -17.056 6.045 -11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -18.380 7.148 -10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.754 7.794 -10.889 1.00 0.00 H new ATOM 954 N GLN A 61 -19.650 8.003 -7.606 1.00 0.00 N ATOM 955 CA GLN A 61 -21.072 8.287 -7.753 1.00 0.00 C ATOM 956 C GLN A 61 -21.649 8.863 -6.464 1.00 0.00 C ATOM 957 O GLN A 61 -22.770 8.537 -6.075 1.00 0.00 O ATOM 958 CB GLN A 61 -21.830 7.016 -8.142 1.00 0.00 C ATOM 959 CG GLN A 61 -21.841 6.747 -9.637 1.00 0.00 C ATOM 960 CD GLN A 61 -22.334 5.354 -9.977 1.00 0.00 C ATOM 961 OE1 GLN A 61 -23.324 4.880 -9.418 1.00 0.00 O ATOM 962 NE2 GLN A 61 -21.643 4.689 -10.896 1.00 0.00 N ATOM 0 H GLN A 61 -19.413 7.451 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.189 9.028 -8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.380 6.164 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.858 7.093 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.476 7.483 -10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.834 6.878 -10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.829 5.121 -11.333 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.926 3.747 -11.164 1.00 0.00 H new ATOM 971 N GLN A 62 -20.875 9.721 -5.807 1.00 0.00 N ATOM 972 CA GLN A 62 -21.310 10.341 -4.561 1.00 0.00 C ATOM 973 C GLN A 62 -21.362 9.316 -3.432 1.00 0.00 C ATOM 974 O GLN A 62 -22.285 9.322 -2.617 1.00 0.00 O ATOM 975 CB GLN A 62 -22.683 10.990 -4.741 1.00 0.00 C ATOM 976 CG GLN A 62 -23.026 11.998 -3.657 1.00 0.00 C ATOM 977 CD GLN A 62 -24.373 12.658 -3.879 1.00 0.00 C ATOM 978 OE1 GLN A 62 -25.405 12.152 -3.436 1.00 0.00 O ATOM 979 NE2 GLN A 62 -24.370 13.794 -4.566 1.00 0.00 N ATOM 0 H GLN A 62 -19.945 10.002 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 62 -20.585 11.111 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -22.717 11.486 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -23.445 10.211 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -23.026 11.498 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -22.252 12.764 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -23.491 14.177 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -25.247 14.284 -4.745 1.00 0.00 H new ATOM 988 N LYS A 63 -20.367 8.437 -3.391 1.00 0.00 N ATOM 989 CA LYS A 63 -20.299 7.407 -2.362 1.00 0.00 C ATOM 990 C LYS A 63 -20.125 8.028 -0.980 1.00 0.00 C ATOM 991 O LYS A 63 -20.801 7.641 -0.026 1.00 0.00 O ATOM 992 CB LYS A 63 -19.142 6.446 -2.650 1.00 0.00 C ATOM 993 CG LYS A 63 -18.942 5.395 -1.571 1.00 0.00 C ATOM 994 CD LYS A 63 -19.842 4.191 -1.791 1.00 0.00 C ATOM 995 CE LYS A 63 -19.542 3.082 -0.795 1.00 0.00 C ATOM 996 NZ LYS A 63 -18.360 2.274 -1.204 1.00 0.00 N ATOM 0 H LYS A 63 -19.596 8.417 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.237 6.853 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.323 5.947 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.222 7.021 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.900 5.075 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.149 5.831 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.885 4.493 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.708 3.816 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.362 3.516 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.412 2.432 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.188 1.529 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.541 1.839 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.524 2.889 -1.268 1.00 0.00 H new ATOM 1010 N ARG A 64 -19.216 8.992 -0.879 1.00 0.00 N ATOM 1011 CA ARG A 64 -18.956 9.667 0.386 1.00 0.00 C ATOM 1012 C ARG A 64 -18.903 8.665 1.536 1.00 0.00 C ATOM 1013 O ARG A 64 -19.470 8.899 2.603 1.00 0.00 O ATOM 1014 CB ARG A 64 -20.033 10.717 0.661 1.00 0.00 C ATOM 1015 CG ARG A 64 -19.666 11.693 1.767 1.00 0.00 C ATOM 1016 CD ARG A 64 -20.829 12.611 2.109 1.00 0.00 C ATOM 1017 NE ARG A 64 -21.204 13.463 0.983 1.00 0.00 N ATOM 1018 CZ ARG A 64 -21.989 14.528 1.097 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -22.478 14.871 2.281 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -22.285 15.253 0.027 1.00 0.00 N ATOM 0 H ARG A 64 -18.647 9.323 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.988 10.162 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -20.226 11.275 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.961 10.212 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.364 11.140 2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.809 12.290 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.687 12.011 2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.560 13.235 2.962 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.843 13.227 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -22.251 14.316 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -23.081 15.689 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -21.910 14.993 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.888 16.071 0.116 1.00 0.00 H new ATOM 1034 N SER A 65 -18.217 7.549 1.310 1.00 0.00 N ATOM 1035 CA SER A 65 -18.094 6.509 2.324 1.00 0.00 C ATOM 1036 C SER A 65 -17.871 7.120 3.704 1.00 0.00 C ATOM 1037 O SER A 65 -18.657 6.903 4.626 1.00 0.00 O ATOM 1038 CB SER A 65 -16.939 5.565 1.980 1.00 0.00 C ATOM 1039 OG SER A 65 -17.017 4.369 2.734 1.00 0.00 O ATOM 0 H SER A 65 -17.738 7.342 0.434 1.00 0.00 H new ATOM 0 HA SER A 65 -19.025 5.942 2.342 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.962 5.330 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.989 6.061 2.177 1.00 0.00 H new ATOM 0 HG SER A 65 -16.269 3.782 2.495 1.00 0.00 H new ATOM 1045 N GLY A 66 -16.794 7.886 3.839 1.00 0.00 N ATOM 1046 CA GLY A 66 -16.485 8.518 5.109 1.00 0.00 C ATOM 1047 C GLY A 66 -15.011 8.446 5.449 1.00 0.00 C ATOM 1048 O GLY A 66 -14.229 7.768 4.782 1.00 0.00 O ATOM 0 H GLY A 66 -16.129 8.081 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.797 9.562 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.061 8.038 5.900 1.00 0.00 H new ATOM 1052 N PRO A 67 -14.608 9.162 6.511 1.00 0.00 N ATOM 1053 CA PRO A 67 -13.214 9.194 6.962 1.00 0.00 C ATOM 1054 C PRO A 67 -12.769 7.867 7.565 1.00 0.00 C ATOM 1055 O PRO A 67 -11.641 7.737 8.040 1.00 0.00 O ATOM 1056 CB PRO A 67 -13.211 10.293 8.027 1.00 0.00 C ATOM 1057 CG PRO A 67 -14.614 10.338 8.528 1.00 0.00 C ATOM 1058 CD PRO A 67 -15.485 9.994 7.352 1.00 0.00 C ATOM 0 HA PRO A 67 -12.524 9.377 6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.511 10.064 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.910 11.252 7.606 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.760 9.629 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.858 11.326 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.380 9.452 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.819 10.887 6.824 1.00 0.00 H new ATOM 1066 N SER A 68 -13.663 6.883 7.542 1.00 0.00 N ATOM 1067 CA SER A 68 -13.363 5.565 8.091 1.00 0.00 C ATOM 1068 C SER A 68 -12.151 4.952 7.397 1.00 0.00 C ATOM 1069 O SER A 68 -11.256 4.413 8.049 1.00 0.00 O ATOM 1070 CB SER A 68 -14.573 4.640 7.941 1.00 0.00 C ATOM 1071 OG SER A 68 -14.560 3.621 8.926 1.00 0.00 O ATOM 0 H SER A 68 -14.600 6.973 7.149 1.00 0.00 H new ATOM 0 HA SER A 68 -13.133 5.682 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.492 5.221 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.571 4.191 6.948 1.00 0.00 H new ATOM 0 HG SER A 68 -15.344 3.044 8.810 1.00 0.00 H new ATOM 1077 N SER A 69 -12.128 5.039 6.071 1.00 0.00 N ATOM 1078 CA SER A 69 -11.028 4.489 5.287 1.00 0.00 C ATOM 1079 C SER A 69 -9.693 5.072 5.741 1.00 0.00 C ATOM 1080 O SER A 69 -9.442 6.267 5.591 1.00 0.00 O ATOM 1081 CB SER A 69 -11.242 4.773 3.799 1.00 0.00 C ATOM 1082 OG SER A 69 -10.278 4.102 3.007 1.00 0.00 O ATOM 0 H SER A 69 -12.859 5.485 5.517 1.00 0.00 H new ATOM 0 HA SER A 69 -11.006 3.411 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.243 4.456 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.182 5.846 3.618 1.00 0.00 H new ATOM 0 HG SER A 69 -10.438 4.299 2.060 1.00 0.00 H new ATOM 1088 N GLY A 70 -8.840 4.217 6.297 1.00 0.00 N ATOM 1089 CA GLY A 70 -7.541 4.666 6.764 1.00 0.00 C ATOM 1090 C GLY A 70 -7.588 5.204 8.180 1.00 0.00 C ATOM 1091 O GLY A 70 -8.001 4.502 9.104 1.00 0.00 O ATOM 0 H GLY A 70 -9.025 3.223 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.835 3.837 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.167 5.442 6.096 1.00 0.00 H new TER 1095 GLY A 70