USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 65 LYS NZ :NH3+ 142:sc= 0.153 (180deg=0) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.437 K(o=-0.28,f=-4!) USER MOD Single : A 8 CYS SG : rot 10:sc= -5.21! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= -0.0694 USER MOD Single : A 34 TYR OH : rot 29:sc= 1.01 USER MOD Single : A 35 TYR OH : rot -133:sc= -0.804! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -76:sc= -0.851! USER MOD Single : A 39 THR OG1 : rot -40:sc= 0.241 USER MOD Single : A 45 SER OG : rot 138:sc= 1.21 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 63:sc= -6.28! USER MOD Single : A 52 TYR OH : rot 30:sc=-0.00992 USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00437 USER MOD Single : A 60 THR OG1 : rot 92:sc= 0.603 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 56.600 5.176 10.391 1.00 0.00 N ATOM 56 CA TRP A 5 57.975 4.759 10.001 1.00 0.00 C ATOM 57 C TRP A 5 58.427 3.628 10.925 1.00 0.00 C ATOM 58 O TRP A 5 58.892 3.861 12.023 1.00 0.00 O ATOM 59 CB TRP A 5 58.930 5.947 10.144 1.00 0.00 C ATOM 60 CG TRP A 5 58.398 7.110 9.371 1.00 0.00 C ATOM 61 CD1 TRP A 5 57.592 8.075 9.871 1.00 0.00 C ATOM 62 CD2 TRP A 5 58.620 7.446 7.972 1.00 0.00 C ATOM 63 NE1 TRP A 5 57.306 8.982 8.867 1.00 0.00 N ATOM 64 CE2 TRP A 5 57.916 8.638 7.677 1.00 0.00 C ATOM 65 CE3 TRP A 5 59.356 6.838 6.940 1.00 0.00 C ATOM 66 CZ2 TRP A 5 57.944 9.206 6.402 1.00 0.00 C ATOM 67 CZ3 TRP A 5 59.386 7.407 5.657 1.00 0.00 C ATOM 68 CH2 TRP A 5 58.681 8.588 5.388 1.00 0.00 C ATOM 0 HA TRP A 5 57.979 4.418 8.966 1.00 0.00 H new ATOM 0 HB2 TRP A 5 59.040 6.215 11.195 1.00 0.00 H new ATOM 0 HB3 TRP A 5 59.921 5.677 9.779 1.00 0.00 H new ATOM 0 HD1 TRP A 5 57.231 8.128 10.888 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.716 9.805 8.991 1.00 0.00 H new ATOM 0 HE3 TRP A 5 59.902 5.927 7.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.400 10.117 6.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 59.956 6.932 4.872 1.00 0.00 H new ATOM 0 HH2 TRP A 5 58.707 9.020 4.398 1.00 0.00 H new ATOM 79 N LEU A 6 58.282 2.403 10.500 1.00 0.00 N ATOM 80 CA LEU A 6 58.692 1.266 11.369 1.00 0.00 C ATOM 81 C LEU A 6 59.991 0.652 10.843 1.00 0.00 C ATOM 82 O LEU A 6 60.441 0.960 9.758 1.00 0.00 O ATOM 83 CB LEU A 6 57.585 0.209 11.372 1.00 0.00 C ATOM 84 CG LEU A 6 56.236 0.892 11.611 1.00 0.00 C ATOM 85 CD1 LEU A 6 55.164 0.233 10.741 1.00 0.00 C ATOM 86 CD2 LEU A 6 55.851 0.755 13.086 1.00 0.00 C ATOM 0 H LEU A 6 57.899 2.142 9.592 1.00 0.00 H new ATOM 0 HA LEU A 6 58.856 1.626 12.385 1.00 0.00 H new ATOM 0 HB2 LEU A 6 57.573 -0.324 10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 6 57.774 -0.531 12.150 1.00 0.00 H new ATOM 0 HG LEU A 6 56.314 1.947 11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 6 54.205 0.721 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 6 55.437 0.331 9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 6 55.085 -0.823 10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 6 54.891 1.241 13.258 1.00 0.00 H new ATOM 0 HD22 LEU A 6 55.775 -0.301 13.346 1.00 0.00 H new ATOM 0 HD23 LEU A 6 56.613 1.227 13.706 1.00 0.00 H new ATOM 98 N ASP A 7 60.598 -0.214 11.609 1.00 0.00 N ATOM 99 CA ASP A 7 61.870 -0.848 11.159 1.00 0.00 C ATOM 100 C ASP A 7 61.644 -1.549 9.819 1.00 0.00 C ATOM 101 O ASP A 7 60.692 -2.283 9.644 1.00 0.00 O ATOM 102 CB ASP A 7 62.324 -1.874 12.200 1.00 0.00 C ATOM 103 CG ASP A 7 63.818 -1.691 12.477 1.00 0.00 C ATOM 104 OD1 ASP A 7 64.590 -1.779 11.536 1.00 0.00 O ATOM 105 OD2 ASP A 7 64.164 -1.467 13.625 1.00 0.00 O ATOM 0 H ASP A 7 60.268 -0.510 12.528 1.00 0.00 H new ATOM 0 HA ASP A 7 62.637 -0.082 11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 7 61.754 -1.750 13.121 1.00 0.00 H new ATOM 0 HB3 ASP A 7 62.131 -2.884 11.839 1.00 0.00 H new ATOM 110 N CYS A 8 62.513 -1.330 8.870 1.00 0.00 N ATOM 111 CA CYS A 8 62.347 -1.984 7.542 1.00 0.00 C ATOM 112 C CYS A 8 63.054 -3.348 7.553 1.00 0.00 C ATOM 113 O CYS A 8 64.265 -3.409 7.635 1.00 0.00 O ATOM 114 CB CYS A 8 62.971 -1.096 6.464 1.00 0.00 C ATOM 115 SG CYS A 8 63.010 -1.991 4.893 1.00 0.00 S ATOM 0 H CYS A 8 63.331 -0.726 8.957 1.00 0.00 H new ATOM 0 HA CYS A 8 61.287 -2.127 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 8 62.395 -0.177 6.357 1.00 0.00 H new ATOM 0 HB3 CYS A 8 63.981 -0.807 6.755 1.00 0.00 H new ATOM 0 HG CYS A 8 62.315 -3.085 4.999 1.00 0.00 H new ATOM 121 N PRO A 9 62.279 -4.403 7.472 1.00 0.00 N ATOM 122 CA PRO A 9 62.814 -5.778 7.473 1.00 0.00 C ATOM 123 C PRO A 9 63.391 -6.139 6.100 1.00 0.00 C ATOM 124 O PRO A 9 64.519 -6.577 5.991 1.00 0.00 O ATOM 125 CB PRO A 9 61.590 -6.639 7.795 1.00 0.00 C ATOM 126 CG PRO A 9 60.351 -5.800 7.402 1.00 0.00 C ATOM 127 CD PRO A 9 60.806 -4.329 7.374 1.00 0.00 C ATOM 0 HA PRO A 9 63.628 -5.917 8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 9 61.617 -7.576 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 9 61.564 -6.897 8.854 1.00 0.00 H new ATOM 0 HG2 PRO A 9 59.969 -6.106 6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 9 59.543 -5.942 8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 9 60.492 -3.833 6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 9 60.380 -3.764 8.203 1.00 0.00 H new ATOM 135 N ALA A 10 62.622 -5.968 5.056 1.00 0.00 N ATOM 136 CA ALA A 10 63.118 -6.307 3.690 1.00 0.00 C ATOM 137 C ALA A 10 64.582 -5.883 3.543 1.00 0.00 C ATOM 138 O ALA A 10 65.410 -6.632 3.064 1.00 0.00 O ATOM 139 CB ALA A 10 62.272 -5.575 2.647 1.00 0.00 C ATOM 0 H ALA A 10 61.669 -5.607 5.092 1.00 0.00 H new ATOM 0 HA ALA A 10 63.041 -7.384 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 10 62.633 -5.821 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.231 -5.882 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 10 62.349 -4.499 2.806 1.00 0.00 H new ATOM 145 N LEU A 11 64.909 -4.687 3.952 1.00 0.00 N ATOM 146 CA LEU A 11 66.318 -4.218 3.835 1.00 0.00 C ATOM 147 C LEU A 11 67.057 -4.491 5.147 1.00 0.00 C ATOM 148 O LEU A 11 68.031 -5.217 5.181 1.00 0.00 O ATOM 149 CB LEU A 11 66.336 -2.715 3.538 1.00 0.00 C ATOM 150 CG LEU A 11 65.463 -2.415 2.314 1.00 0.00 C ATOM 151 CD1 LEU A 11 65.822 -1.037 1.756 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.704 -3.473 1.234 1.00 0.00 C ATOM 0 H LEU A 11 64.261 -4.015 4.362 1.00 0.00 H new ATOM 0 HA LEU A 11 66.812 -4.752 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.970 -2.160 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.358 -2.383 3.357 1.00 0.00 H new ATOM 0 HG LEU A 11 64.414 -2.431 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.201 -0.824 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.649 -0.279 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.872 -1.025 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.081 -3.255 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.754 -3.460 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 11 65.449 -4.458 1.626 1.00 0.00 H new ATOM 164 N GLY A 12 66.605 -3.918 6.228 1.00 0.00 N ATOM 165 CA GLY A 12 67.288 -4.153 7.532 1.00 0.00 C ATOM 166 C GLY A 12 67.162 -2.907 8.415 1.00 0.00 C ATOM 167 O GLY A 12 66.160 -2.221 8.376 1.00 0.00 O ATOM 0 H GLY A 12 65.795 -3.299 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 12 66.846 -5.013 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 12 68.339 -4.387 7.365 1.00 0.00 H new ATOM 171 N PRO A 13 68.189 -2.653 9.188 1.00 0.00 N ATOM 172 CA PRO A 13 68.230 -1.496 10.099 1.00 0.00 C ATOM 173 C PRO A 13 68.546 -0.216 9.320 1.00 0.00 C ATOM 174 O PRO A 13 69.125 -0.255 8.253 1.00 0.00 O ATOM 175 CB PRO A 13 69.365 -1.840 11.066 1.00 0.00 C ATOM 176 CG PRO A 13 70.265 -2.865 10.336 1.00 0.00 C ATOM 177 CD PRO A 13 69.403 -3.495 9.226 1.00 0.00 C ATOM 0 HA PRO A 13 67.283 -1.317 10.608 1.00 0.00 H new ATOM 0 HB2 PRO A 13 69.931 -0.948 11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 13 68.972 -2.259 11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 13 71.144 -2.378 9.914 1.00 0.00 H new ATOM 0 HG3 PRO A 13 70.624 -3.627 11.028 1.00 0.00 H new ATOM 0 HD2 PRO A 13 69.922 -3.489 8.267 1.00 0.00 H new ATOM 0 HD3 PRO A 13 69.161 -4.534 9.451 1.00 0.00 H new ATOM 185 N GLY A 14 68.169 0.916 9.846 1.00 0.00 N ATOM 186 CA GLY A 14 68.445 2.197 9.137 1.00 0.00 C ATOM 187 C GLY A 14 67.295 2.501 8.177 1.00 0.00 C ATOM 188 O GLY A 14 66.659 3.533 8.261 1.00 0.00 O ATOM 0 H GLY A 14 67.681 1.010 10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 14 68.557 3.008 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 14 69.384 2.127 8.588 1.00 0.00 H new ATOM 192 N TRP A 15 67.022 1.609 7.265 1.00 0.00 N ATOM 193 CA TRP A 15 65.912 1.842 6.299 1.00 0.00 C ATOM 194 C TRP A 15 64.579 1.865 7.048 1.00 0.00 C ATOM 195 O TRP A 15 64.271 0.975 7.818 1.00 0.00 O ATOM 196 CB TRP A 15 65.897 0.719 5.261 1.00 0.00 C ATOM 197 CG TRP A 15 65.431 1.259 3.947 1.00 0.00 C ATOM 198 CD1 TRP A 15 64.331 0.842 3.282 1.00 0.00 C ATOM 199 CD2 TRP A 15 66.031 2.304 3.129 1.00 0.00 C ATOM 200 NE1 TRP A 15 64.220 1.563 2.107 1.00 0.00 N ATOM 201 CE2 TRP A 15 65.243 2.479 1.969 1.00 0.00 C ATOM 202 CE3 TRP A 15 67.171 3.110 3.281 1.00 0.00 C ATOM 203 CZ2 TRP A 15 65.575 3.420 0.994 1.00 0.00 C ATOM 204 CZ3 TRP A 15 67.510 4.058 2.302 1.00 0.00 C ATOM 205 CH2 TRP A 15 66.713 4.212 1.160 1.00 0.00 C ATOM 0 H TRP A 15 67.521 0.727 7.147 1.00 0.00 H new ATOM 0 HA TRP A 15 66.061 2.798 5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 15 66.895 0.292 5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 15 65.239 -0.085 5.590 1.00 0.00 H new ATOM 0 HD1 TRP A 15 63.650 0.072 3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 15 63.473 1.433 1.425 1.00 0.00 H new ATOM 0 HE3 TRP A 15 67.792 3.000 4.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 64.956 3.535 0.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 68.390 4.672 2.430 1.00 0.00 H new ATOM 0 HH2 TRP A 15 66.978 4.942 0.410 1.00 0.00 H new ATOM 216 N LYS A 16 63.785 2.877 6.829 1.00 0.00 N ATOM 217 CA LYS A 16 62.472 2.960 7.528 1.00 0.00 C ATOM 218 C LYS A 16 61.349 2.601 6.554 1.00 0.00 C ATOM 219 O LYS A 16 61.197 3.211 5.514 1.00 0.00 O ATOM 220 CB LYS A 16 62.262 4.385 8.044 1.00 0.00 C ATOM 221 CG LYS A 16 62.518 4.426 9.551 1.00 0.00 C ATOM 222 CD LYS A 16 63.903 5.016 9.819 1.00 0.00 C ATOM 223 CE LYS A 16 63.757 6.460 10.303 1.00 0.00 C ATOM 224 NZ LYS A 16 64.947 7.249 9.878 1.00 0.00 N ATOM 0 H LYS A 16 63.989 3.650 6.196 1.00 0.00 H new ATOM 0 HA LYS A 16 62.461 2.262 8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 16 62.936 5.072 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 16 61.246 4.715 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.754 5.027 10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 16 62.452 3.421 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.425 4.421 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 16 64.505 4.985 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 16 62.849 6.902 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 16 63.661 6.483 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.848 8.231 10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.806 6.831 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.019 7.237 8.841 1.00 0.00 H new ATOM 238 N ARG A 17 60.558 1.617 6.884 1.00 0.00 N ATOM 239 CA ARG A 17 59.444 1.221 5.979 1.00 0.00 C ATOM 240 C ARG A 17 58.165 1.952 6.398 1.00 0.00 C ATOM 241 O ARG A 17 57.553 1.632 7.398 1.00 0.00 O ATOM 242 CB ARG A 17 59.226 -0.292 6.072 1.00 0.00 C ATOM 243 CG ARG A 17 58.680 -0.813 4.740 1.00 0.00 C ATOM 244 CD ARG A 17 59.687 -1.782 4.112 1.00 0.00 C ATOM 245 NE ARG A 17 60.637 -1.020 3.250 1.00 0.00 N ATOM 246 CZ ARG A 17 61.414 -1.649 2.408 1.00 0.00 C ATOM 247 NH1 ARG A 17 61.211 -2.909 2.137 1.00 0.00 N ATOM 248 NH2 ARG A 17 62.401 -1.014 1.836 1.00 0.00 N ATOM 0 H ARG A 17 60.636 1.070 7.742 1.00 0.00 H new ATOM 0 HA ARG A 17 59.694 1.488 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 17 60.165 -0.791 6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 17 58.528 -0.521 6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 17 57.727 -1.317 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 17 58.491 0.020 4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 17 60.232 -2.313 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 17 59.165 -2.534 3.520 1.00 0.00 H new ATOM 0 HE ARG A 17 60.680 -0.003 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 17 60.442 -3.409 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 17 61.821 -3.394 1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 17 62.564 -0.029 2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 17 63.009 -1.503 1.179 1.00 0.00 H new ATOM 262 N ARG A 18 57.759 2.937 5.641 1.00 0.00 N ATOM 263 CA ARG A 18 56.523 3.692 5.993 1.00 0.00 C ATOM 264 C ARG A 18 55.357 3.192 5.137 1.00 0.00 C ATOM 265 O ARG A 18 55.520 2.874 3.975 1.00 0.00 O ATOM 266 CB ARG A 18 56.750 5.184 5.734 1.00 0.00 C ATOM 267 CG ARG A 18 55.424 5.939 5.852 1.00 0.00 C ATOM 268 CD ARG A 18 55.157 6.708 4.557 1.00 0.00 C ATOM 269 NE ARG A 18 53.691 6.912 4.392 1.00 0.00 N ATOM 270 CZ ARG A 18 53.216 8.112 4.198 1.00 0.00 C ATOM 271 NH1 ARG A 18 53.874 8.963 3.458 1.00 0.00 N ATOM 272 NH2 ARG A 18 52.083 8.461 4.744 1.00 0.00 N ATOM 0 H ARG A 18 58.231 3.251 4.793 1.00 0.00 H new ATOM 0 HA ARG A 18 56.288 3.538 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.470 5.581 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.175 5.329 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.611 5.239 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.460 6.628 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.668 7.670 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 18 55.556 6.157 3.706 1.00 0.00 H new ATOM 0 HE ARG A 18 53.058 6.113 4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 18 54.759 8.690 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.503 9.901 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.569 7.796 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.711 9.399 4.593 1.00 0.00 H new ATOM 286 N GLU A 19 54.183 3.117 5.702 1.00 0.00 N ATOM 287 CA GLU A 19 53.010 2.633 4.922 1.00 0.00 C ATOM 288 C GLU A 19 52.176 3.825 4.445 1.00 0.00 C ATOM 289 O GLU A 19 52.249 4.907 4.993 1.00 0.00 O ATOM 290 CB GLU A 19 52.149 1.729 5.810 1.00 0.00 C ATOM 291 CG GLU A 19 51.400 2.582 6.836 1.00 0.00 C ATOM 292 CD GLU A 19 51.023 1.720 8.042 1.00 0.00 C ATOM 293 OE1 GLU A 19 50.044 0.997 7.946 1.00 0.00 O ATOM 294 OE2 GLU A 19 51.718 1.797 9.042 1.00 0.00 O ATOM 0 H GLU A 19 53.986 3.370 6.670 1.00 0.00 H new ATOM 0 HA GLU A 19 53.359 2.071 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 19 51.440 1.171 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.777 0.997 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.024 3.418 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 19 50.503 3.007 6.385 1.00 0.00 H new ATOM 301 N VAL A 20 51.379 3.631 3.429 1.00 0.00 N ATOM 302 CA VAL A 20 50.534 4.745 2.914 1.00 0.00 C ATOM 303 C VAL A 20 49.084 4.265 2.810 1.00 0.00 C ATOM 304 O VAL A 20 48.817 3.082 2.748 1.00 0.00 O ATOM 305 CB VAL A 20 51.033 5.168 1.531 1.00 0.00 C ATOM 306 CG1 VAL A 20 50.143 6.285 0.984 1.00 0.00 C ATOM 307 CG2 VAL A 20 52.473 5.675 1.643 1.00 0.00 C ATOM 0 H VAL A 20 51.277 2.746 2.932 1.00 0.00 H new ATOM 0 HA VAL A 20 50.592 5.596 3.593 1.00 0.00 H new ATOM 0 HB VAL A 20 50.997 4.313 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 20 50.500 6.585 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 20 49.117 5.927 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 20 50.177 7.141 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 20 52.830 5.977 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 20 52.506 6.530 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 20 53.109 4.880 2.032 1.00 0.00 H new ATOM 478 N ASP A 32 50.130 2.377 -0.509 1.00 0.00 N ATOM 479 CA ASP A 32 51.468 2.741 -1.055 1.00 0.00 C ATOM 480 C ASP A 32 52.539 2.489 0.008 1.00 0.00 C ATOM 481 O ASP A 32 52.256 2.435 1.188 1.00 0.00 O ATOM 482 CB ASP A 32 51.476 4.220 -1.444 1.00 0.00 C ATOM 483 CG ASP A 32 51.371 4.348 -2.965 1.00 0.00 C ATOM 484 OD1 ASP A 32 50.757 3.486 -3.571 1.00 0.00 O ATOM 485 OD2 ASP A 32 51.908 5.305 -3.497 1.00 0.00 O ATOM 0 HA ASP A 32 51.678 2.133 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 32 50.644 4.737 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.391 4.695 -1.091 1.00 0.00 H new ATOM 490 N THR A 33 53.769 2.334 -0.401 1.00 0.00 N ATOM 491 CA THR A 33 54.856 2.085 0.587 1.00 0.00 C ATOM 492 C THR A 33 56.062 2.965 0.255 1.00 0.00 C ATOM 493 O THR A 33 56.680 2.824 -0.783 1.00 0.00 O ATOM 494 CB THR A 33 55.271 0.613 0.532 1.00 0.00 C ATOM 495 OG1 THR A 33 54.288 -0.128 -0.177 1.00 0.00 O ATOM 496 CG2 THR A 33 55.402 0.065 1.954 1.00 0.00 C ATOM 0 H THR A 33 54.067 2.369 -1.376 1.00 0.00 H new ATOM 0 HA THR A 33 54.496 2.325 1.587 1.00 0.00 H new ATOM 0 HB THR A 33 56.230 0.523 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 54.262 -1.046 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 33 55.698 -0.983 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 33 56.157 0.635 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 33 54.444 0.153 2.467 1.00 0.00 H new ATOM 504 N TYR A 34 56.406 3.870 1.130 1.00 0.00 N ATOM 505 CA TYR A 34 57.576 4.754 0.868 1.00 0.00 C ATOM 506 C TYR A 34 58.654 4.488 1.919 1.00 0.00 C ATOM 507 O TYR A 34 58.365 4.297 3.084 1.00 0.00 O ATOM 508 CB TYR A 34 57.142 6.221 0.946 1.00 0.00 C ATOM 509 CG TYR A 34 56.078 6.501 -0.090 1.00 0.00 C ATOM 510 CD1 TYR A 34 55.991 5.711 -1.244 1.00 0.00 C ATOM 511 CD2 TYR A 34 55.177 7.555 0.104 1.00 0.00 C ATOM 512 CE1 TYR A 34 55.005 5.977 -2.202 1.00 0.00 C ATOM 513 CE2 TYR A 34 54.191 7.820 -0.853 1.00 0.00 C ATOM 514 CZ TYR A 34 54.104 7.031 -2.006 1.00 0.00 C ATOM 515 OH TYR A 34 53.133 7.293 -2.950 1.00 0.00 O ATOM 0 H TYR A 34 55.927 4.035 2.015 1.00 0.00 H new ATOM 0 HA TYR A 34 57.972 4.547 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 34 56.759 6.443 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 34 58.001 6.872 0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.684 4.897 -1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 34 55.243 8.164 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 34 54.939 5.369 -3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 34 53.497 8.634 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 34 52.895 6.463 -3.414 1.00 0.00 H new ATOM 525 N TYR A 35 59.897 4.472 1.519 1.00 0.00 N ATOM 526 CA TYR A 35 60.989 4.216 2.499 1.00 0.00 C ATOM 527 C TYR A 35 61.824 5.483 2.680 1.00 0.00 C ATOM 528 O TYR A 35 62.002 6.259 1.762 1.00 0.00 O ATOM 529 CB TYR A 35 61.884 3.088 1.983 1.00 0.00 C ATOM 530 CG TYR A 35 61.023 1.964 1.462 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.785 1.702 2.059 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.461 1.184 0.385 1.00 0.00 C ATOM 533 CE1 TYR A 35 58.983 0.660 1.579 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.659 0.141 -0.095 1.00 0.00 C ATOM 535 CZ TYR A 35 59.420 -0.121 0.502 1.00 0.00 C ATOM 536 OH TYR A 35 58.630 -1.148 0.030 1.00 0.00 O ATOM 0 H TYR A 35 60.202 4.625 0.558 1.00 0.00 H new ATOM 0 HA TYR A 35 60.554 3.928 3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 35 62.535 3.459 1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.529 2.726 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.448 2.304 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.417 1.386 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.027 0.458 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 35 60.996 -0.461 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 35 59.177 -1.952 -0.093 1.00 0.00 H new ATOM 546 N GLN A 36 62.340 5.697 3.859 1.00 0.00 N ATOM 547 CA GLN A 36 63.167 6.912 4.103 1.00 0.00 C ATOM 548 C GLN A 36 64.468 6.508 4.799 1.00 0.00 C ATOM 549 O GLN A 36 64.459 5.824 5.803 1.00 0.00 O ATOM 550 CB GLN A 36 62.393 7.888 4.993 1.00 0.00 C ATOM 551 CG GLN A 36 63.323 9.017 5.444 1.00 0.00 C ATOM 552 CD GLN A 36 62.552 9.991 6.336 1.00 0.00 C ATOM 553 OE1 GLN A 36 61.986 10.954 5.858 1.00 0.00 O ATOM 554 NE2 GLN A 36 62.506 9.782 7.624 1.00 0.00 N ATOM 0 H GLN A 36 62.224 5.082 4.665 1.00 0.00 H new ATOM 0 HA GLN A 36 63.396 7.394 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 36 61.544 8.299 4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 36 61.992 7.365 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 36 64.174 8.606 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 36 63.723 9.541 4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 36 62.981 8.974 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 36 61.995 10.427 8.227 1.00 0.00 H new ATOM 563 N SER A 37 65.588 6.924 4.273 1.00 0.00 N ATOM 564 CA SER A 37 66.887 6.562 4.907 1.00 0.00 C ATOM 565 C SER A 37 67.025 7.306 6.240 1.00 0.00 C ATOM 566 O SER A 37 66.198 8.131 6.575 1.00 0.00 O ATOM 567 CB SER A 37 68.033 6.956 3.975 1.00 0.00 C ATOM 568 OG SER A 37 67.531 7.096 2.652 1.00 0.00 O ATOM 0 H SER A 37 65.659 7.498 3.433 1.00 0.00 H new ATOM 0 HA SER A 37 66.922 5.488 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 37 68.483 7.892 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 37 68.816 6.199 4.002 1.00 0.00 H new ATOM 0 HG SER A 37 67.384 6.209 2.262 1.00 0.00 H new ATOM 574 N PRO A 38 68.067 6.985 6.965 1.00 0.00 N ATOM 575 CA PRO A 38 68.343 7.601 8.274 1.00 0.00 C ATOM 576 C PRO A 38 68.949 8.996 8.096 1.00 0.00 C ATOM 577 O PRO A 38 69.190 9.704 9.053 1.00 0.00 O ATOM 578 CB PRO A 38 69.354 6.646 8.913 1.00 0.00 C ATOM 579 CG PRO A 38 70.022 5.877 7.749 1.00 0.00 C ATOM 580 CD PRO A 38 69.066 5.982 6.546 1.00 0.00 C ATOM 0 HA PRO A 38 67.447 7.736 8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 38 70.096 7.196 9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.859 5.959 9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 38 70.995 6.306 7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.191 4.835 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 38 69.593 6.296 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 38 68.599 5.023 6.324 1.00 0.00 H new ATOM 588 N THR A 39 69.199 9.396 6.879 1.00 0.00 N ATOM 589 CA THR A 39 69.791 10.744 6.648 1.00 0.00 C ATOM 590 C THR A 39 68.696 11.716 6.203 1.00 0.00 C ATOM 591 O THR A 39 68.907 12.910 6.127 1.00 0.00 O ATOM 592 CB THR A 39 70.864 10.649 5.560 1.00 0.00 C ATOM 593 OG1 THR A 39 71.498 11.911 5.411 1.00 0.00 O ATOM 594 CG2 THR A 39 70.217 10.240 4.236 1.00 0.00 C ATOM 0 H THR A 39 69.019 8.849 6.037 1.00 0.00 H new ATOM 0 HA THR A 39 70.241 11.106 7.572 1.00 0.00 H new ATOM 0 HB THR A 39 71.605 9.902 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 39 70.827 12.623 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 39 70.982 10.173 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 39 69.732 9.271 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 39 69.475 10.985 3.948 1.00 0.00 H new ATOM 602 N GLY A 40 67.526 11.216 5.909 1.00 0.00 N ATOM 603 CA GLY A 40 66.421 12.115 5.472 1.00 0.00 C ATOM 604 C GLY A 40 66.104 11.860 3.996 1.00 0.00 C ATOM 605 O GLY A 40 65.359 12.594 3.376 1.00 0.00 O ATOM 0 H GLY A 40 67.288 10.225 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 40 65.534 11.939 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 40 66.707 13.157 5.618 1.00 0.00 H new ATOM 609 N ASP A 41 66.662 10.826 3.427 1.00 0.00 N ATOM 610 CA ASP A 41 66.387 10.528 1.992 1.00 0.00 C ATOM 611 C ASP A 41 65.022 9.848 1.866 1.00 0.00 C ATOM 612 O ASP A 41 64.643 9.038 2.689 1.00 0.00 O ATOM 613 CB ASP A 41 67.474 9.600 1.444 1.00 0.00 C ATOM 614 CG ASP A 41 68.485 10.418 0.640 1.00 0.00 C ATOM 615 OD1 ASP A 41 69.120 11.280 1.225 1.00 0.00 O ATOM 616 OD2 ASP A 41 68.608 10.168 -0.548 1.00 0.00 O ATOM 0 H ASP A 41 67.295 10.176 3.893 1.00 0.00 H new ATOM 0 HA ASP A 41 66.384 11.457 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 41 67.976 9.086 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 41 67.027 8.832 0.813 1.00 0.00 H new ATOM 621 N ARG A 42 64.277 10.172 0.845 1.00 0.00 N ATOM 622 CA ARG A 42 62.936 9.546 0.674 1.00 0.00 C ATOM 623 C ARG A 42 62.812 8.969 -0.739 1.00 0.00 C ATOM 624 O ARG A 42 62.915 9.676 -1.721 1.00 0.00 O ATOM 625 CB ARG A 42 61.851 10.605 0.884 1.00 0.00 C ATOM 626 CG ARG A 42 62.033 11.730 -0.136 1.00 0.00 C ATOM 627 CD ARG A 42 62.192 13.064 0.594 1.00 0.00 C ATOM 628 NE ARG A 42 61.803 14.177 -0.317 1.00 0.00 N ATOM 629 CZ ARG A 42 62.657 14.637 -1.191 1.00 0.00 C ATOM 630 NH1 ARG A 42 63.681 15.340 -0.792 1.00 0.00 N ATOM 631 NH2 ARG A 42 62.488 14.392 -2.461 1.00 0.00 N ATOM 0 H ARG A 42 64.539 10.843 0.122 1.00 0.00 H new ATOM 0 HA ARG A 42 62.816 8.746 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 42 60.864 10.156 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 42 61.909 11.005 1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.909 11.536 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 42 61.173 11.770 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.570 13.078 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.224 13.191 0.921 1.00 0.00 H new ATOM 0 HE ARG A 42 60.868 14.580 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 42 63.814 15.530 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 42 64.349 15.700 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.688 13.841 -2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 42 63.156 14.752 -3.143 1.00 0.00 H new ATOM 645 N ILE A 43 62.585 7.687 -0.849 1.00 0.00 N ATOM 646 CA ILE A 43 62.449 7.067 -2.198 1.00 0.00 C ATOM 647 C ILE A 43 61.135 6.285 -2.266 1.00 0.00 C ATOM 648 O ILE A 43 60.540 5.965 -1.256 1.00 0.00 O ATOM 649 CB ILE A 43 63.622 6.120 -2.448 1.00 0.00 C ATOM 650 CG1 ILE A 43 64.935 6.864 -2.193 1.00 0.00 C ATOM 651 CG2 ILE A 43 63.584 5.634 -3.898 1.00 0.00 C ATOM 652 CD1 ILE A 43 65.633 6.263 -0.971 1.00 0.00 C ATOM 0 H ILE A 43 62.488 7.043 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 43 62.449 7.847 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 43 63.551 5.264 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 43 65.582 6.791 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 43 64.739 7.924 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 43 64.420 4.958 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 43 62.647 5.108 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 43 63.658 6.489 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 43 66.568 6.793 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 43 64.986 6.359 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 43 65.843 5.209 -1.153 1.00 0.00 H new ATOM 664 N ARG A 44 60.675 5.977 -3.449 1.00 0.00 N ATOM 665 CA ARG A 44 59.397 5.220 -3.574 1.00 0.00 C ATOM 666 C ARG A 44 59.452 4.312 -4.804 1.00 0.00 C ATOM 667 O ARG A 44 58.439 3.873 -5.310 1.00 0.00 O ATOM 668 CB ARG A 44 58.242 6.210 -3.713 1.00 0.00 C ATOM 669 CG ARG A 44 58.461 7.372 -2.744 1.00 0.00 C ATOM 670 CD ARG A 44 57.287 8.348 -2.836 1.00 0.00 C ATOM 671 NE ARG A 44 57.665 9.639 -2.196 1.00 0.00 N ATOM 672 CZ ARG A 44 57.724 10.730 -2.910 1.00 0.00 C ATOM 673 NH1 ARG A 44 58.622 10.848 -3.849 1.00 0.00 N ATOM 674 NH2 ARG A 44 56.886 11.703 -2.683 1.00 0.00 N ATOM 0 H ARG A 44 61.128 6.216 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 44 59.247 4.605 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 44 58.185 6.580 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 44 57.295 5.715 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 44 58.555 6.996 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 44 59.393 7.885 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 44 57.017 8.512 -3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 44 56.411 7.928 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 44 57.878 9.670 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 44 59.278 10.087 -4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 44 58.668 11.701 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 44 56.185 11.611 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 44 56.932 12.556 -3.241 1.00 0.00 H new ATOM 688 N SER A 45 60.629 4.020 -5.279 1.00 0.00 N ATOM 689 CA SER A 45 60.758 3.131 -6.467 1.00 0.00 C ATOM 690 C SER A 45 60.992 1.702 -5.989 1.00 0.00 C ATOM 691 O SER A 45 60.067 0.931 -5.828 1.00 0.00 O ATOM 692 CB SER A 45 61.943 3.588 -7.318 1.00 0.00 C ATOM 693 OG SER A 45 61.471 4.413 -8.375 1.00 0.00 O ATOM 0 H SER A 45 61.511 4.360 -4.895 1.00 0.00 H new ATOM 0 HA SER A 45 59.848 3.176 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.657 4.137 -6.704 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.470 2.724 -7.723 1.00 0.00 H new ATOM 0 HG SER A 45 62.071 5.180 -8.485 1.00 0.00 H new ATOM 699 N LYS A 46 62.224 1.353 -5.755 1.00 0.00 N ATOM 700 CA LYS A 46 62.553 -0.019 -5.280 1.00 0.00 C ATOM 701 C LYS A 46 64.020 -0.278 -5.581 1.00 0.00 C ATOM 702 O LYS A 46 64.828 -0.418 -4.689 1.00 0.00 O ATOM 703 CB LYS A 46 61.679 -1.052 -6.007 1.00 0.00 C ATOM 704 CG LYS A 46 62.254 -2.465 -5.829 1.00 0.00 C ATOM 705 CD LYS A 46 61.802 -3.345 -6.995 1.00 0.00 C ATOM 706 CE LYS A 46 60.293 -3.574 -6.904 1.00 0.00 C ATOM 707 NZ LYS A 46 59.885 -4.609 -7.895 1.00 0.00 N ATOM 0 H LYS A 46 63.029 1.968 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 46 62.364 -0.104 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 46 60.662 -1.015 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 46 61.623 -0.807 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 46 63.343 -2.425 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 46 61.916 -2.891 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.052 -2.868 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 46 62.328 -4.299 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.023 -3.893 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 46 59.761 -2.642 -7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 58.859 -4.764 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 60.129 -4.287 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 60.383 -5.499 -7.692 1.00 0.00 H new ATOM 721 N VAL A 47 64.374 -0.320 -6.831 1.00 0.00 N ATOM 722 CA VAL A 47 65.800 -0.544 -7.181 1.00 0.00 C ATOM 723 C VAL A 47 66.495 0.813 -7.207 1.00 0.00 C ATOM 724 O VAL A 47 67.700 0.912 -7.095 1.00 0.00 O ATOM 725 CB VAL A 47 65.913 -1.217 -8.550 1.00 0.00 C ATOM 726 CG1 VAL A 47 67.381 -1.527 -8.842 1.00 0.00 C ATOM 727 CG2 VAL A 47 65.109 -2.523 -8.541 1.00 0.00 C ATOM 0 H VAL A 47 63.741 -0.209 -7.623 1.00 0.00 H new ATOM 0 HA VAL A 47 66.268 -1.198 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 47 65.521 -0.551 -9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 47 67.465 -2.007 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 47 67.955 -0.601 -8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 47 67.771 -2.195 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 47 65.187 -3.005 -9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 47 65.505 -3.189 -7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 47 64.063 -2.305 -8.327 1.00 0.00 H new ATOM 737 N GLU A 48 65.731 1.865 -7.330 1.00 0.00 N ATOM 738 CA GLU A 48 66.333 3.223 -7.335 1.00 0.00 C ATOM 739 C GLU A 48 66.847 3.518 -5.929 1.00 0.00 C ATOM 740 O GLU A 48 67.926 4.047 -5.748 1.00 0.00 O ATOM 741 CB GLU A 48 65.275 4.257 -7.727 1.00 0.00 C ATOM 742 CG GLU A 48 64.741 3.940 -9.125 1.00 0.00 C ATOM 743 CD GLU A 48 64.269 5.230 -9.797 1.00 0.00 C ATOM 744 OE1 GLU A 48 63.373 5.860 -9.259 1.00 0.00 O ATOM 745 OE2 GLU A 48 64.811 5.567 -10.836 1.00 0.00 O ATOM 0 H GLU A 48 64.716 1.839 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 48 67.150 3.272 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 48 64.459 4.249 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 48 65.706 5.258 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 48 65.520 3.469 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 48 63.917 3.230 -9.058 1.00 0.00 H new ATOM 752 N LEU A 49 66.091 3.154 -4.925 1.00 0.00 N ATOM 753 CA LEU A 49 66.556 3.391 -3.534 1.00 0.00 C ATOM 754 C LEU A 49 67.682 2.403 -3.241 1.00 0.00 C ATOM 755 O LEU A 49 68.623 2.704 -2.534 1.00 0.00 O ATOM 756 CB LEU A 49 65.400 3.182 -2.552 1.00 0.00 C ATOM 757 CG LEU A 49 64.919 1.735 -2.614 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.544 0.940 -1.466 1.00 0.00 C ATOM 759 CD2 LEU A 49 63.395 1.709 -2.484 1.00 0.00 C ATOM 0 H LEU A 49 65.179 2.706 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 49 66.914 4.414 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 49 65.724 3.423 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 49 64.580 3.858 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 49 65.214 1.289 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.201 -0.094 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.630 0.966 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.247 1.381 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.044 0.678 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.103 2.152 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.950 2.278 -3.300 1.00 0.00 H new ATOM 771 N THR A 50 67.606 1.231 -3.812 1.00 0.00 N ATOM 772 CA THR A 50 68.685 0.228 -3.602 1.00 0.00 C ATOM 773 C THR A 50 69.969 0.790 -4.200 1.00 0.00 C ATOM 774 O THR A 50 71.010 0.807 -3.574 1.00 0.00 O ATOM 775 CB THR A 50 68.318 -1.070 -4.323 1.00 0.00 C ATOM 776 OG1 THR A 50 66.916 -1.256 -4.261 1.00 0.00 O ATOM 777 CG2 THR A 50 69.015 -2.252 -3.655 1.00 0.00 C ATOM 0 H THR A 50 66.842 0.926 -4.415 1.00 0.00 H new ATOM 0 HA THR A 50 68.814 0.023 -2.539 1.00 0.00 H new ATOM 0 HB THR A 50 68.639 -1.008 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 50 66.468 -0.523 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 50 68.748 -3.172 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 50 70.095 -2.110 -3.699 1.00 0.00 H new ATOM 0 HG23 THR A 50 68.700 -2.319 -2.614 1.00 0.00 H new ATOM 785 N ARG A 51 69.888 1.272 -5.409 1.00 0.00 N ATOM 786 CA ARG A 51 71.085 1.861 -6.059 1.00 0.00 C ATOM 787 C ARG A 51 71.621 2.972 -5.162 1.00 0.00 C ATOM 788 O ARG A 51 72.797 3.274 -5.155 1.00 0.00 O ATOM 789 CB ARG A 51 70.683 2.448 -7.413 1.00 0.00 C ATOM 790 CG ARG A 51 70.775 1.365 -8.488 1.00 0.00 C ATOM 791 CD ARG A 51 72.248 1.081 -8.783 1.00 0.00 C ATOM 792 NE ARG A 51 72.367 0.336 -10.068 1.00 0.00 N ATOM 793 CZ ARG A 51 71.530 -0.626 -10.348 1.00 0.00 C ATOM 794 NH1 ARG A 51 70.377 -0.349 -10.891 1.00 0.00 N ATOM 795 NH2 ARG A 51 71.848 -1.864 -10.087 1.00 0.00 N ATOM 0 H ARG A 51 69.039 1.282 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 51 71.850 1.099 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 51 69.667 2.840 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 51 71.336 3.283 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 51 70.277 0.456 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 51 70.265 1.690 -9.395 1.00 0.00 H new ATOM 0 HD2 ARG A 51 72.804 2.016 -8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 51 72.686 0.499 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 51 73.104 0.578 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 51 70.130 0.619 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 51 69.723 -1.100 -11.110 1.00 0.00 H new ATOM 0 HH21 ARG A 51 72.751 -2.080 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 51 71.194 -2.616 -10.306 1.00 0.00 H new ATOM 809 N TYR A 52 70.753 3.582 -4.401 1.00 0.00 N ATOM 810 CA TYR A 52 71.189 4.677 -3.495 1.00 0.00 C ATOM 811 C TYR A 52 71.976 4.083 -2.323 1.00 0.00 C ATOM 812 O TYR A 52 73.114 4.439 -2.088 1.00 0.00 O ATOM 813 CB TYR A 52 69.955 5.418 -2.973 1.00 0.00 C ATOM 814 CG TYR A 52 70.342 6.313 -1.820 1.00 0.00 C ATOM 815 CD1 TYR A 52 71.144 7.437 -2.044 1.00 0.00 C ATOM 816 CD2 TYR A 52 69.892 6.020 -0.527 1.00 0.00 C ATOM 817 CE1 TYR A 52 71.496 8.269 -0.975 1.00 0.00 C ATOM 818 CE2 TYR A 52 70.244 6.851 0.542 1.00 0.00 C ATOM 819 CZ TYR A 52 71.047 7.976 0.318 1.00 0.00 C ATOM 820 OH TYR A 52 71.394 8.798 1.371 1.00 0.00 O ATOM 0 H TYR A 52 69.757 3.366 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 52 71.827 5.375 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 52 69.511 6.012 -3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 52 69.199 4.702 -2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 52 71.491 7.663 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 52 69.273 5.152 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 52 72.114 9.137 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 52 69.897 6.625 1.539 1.00 0.00 H new ATOM 0 HH TYR A 52 71.511 9.715 1.045 1.00 0.00 H new ATOM 830 N LEU A 53 71.386 3.177 -1.587 1.00 0.00 N ATOM 831 CA LEU A 53 72.118 2.566 -0.439 1.00 0.00 C ATOM 832 C LEU A 53 73.437 1.979 -0.941 1.00 0.00 C ATOM 833 O LEU A 53 74.503 2.323 -0.471 1.00 0.00 O ATOM 834 CB LEU A 53 71.282 1.442 0.183 1.00 0.00 C ATOM 835 CG LEU A 53 69.834 1.898 0.360 1.00 0.00 C ATOM 836 CD1 LEU A 53 68.899 0.872 -0.284 1.00 0.00 C ATOM 837 CD2 LEU A 53 69.516 2.004 1.853 1.00 0.00 C ATOM 0 H LEU A 53 70.435 2.836 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 53 72.306 3.334 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.317 0.558 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.702 1.158 1.148 1.00 0.00 H new ATOM 0 HG LEU A 53 69.695 2.870 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 53 67.865 1.194 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 53 69.128 0.788 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 53 69.037 -0.097 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 53 68.484 2.329 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 53 69.652 1.030 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.186 2.728 2.317 1.00 0.00 H new ATOM 849 N GLY A 54 73.368 1.088 -1.893 1.00 0.00 N ATOM 850 CA GLY A 54 74.611 0.468 -2.431 1.00 0.00 C ATOM 851 C GLY A 54 74.411 -1.046 -2.544 1.00 0.00 C ATOM 852 O GLY A 54 73.294 -1.518 -2.607 1.00 0.00 O ATOM 0 H GLY A 54 72.502 0.763 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 54 74.848 0.889 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 54 75.454 0.688 -1.776 1.00 0.00 H new ATOM 856 N PRO A 55 75.505 -1.762 -2.564 1.00 0.00 N ATOM 857 CA PRO A 55 75.489 -3.232 -2.667 1.00 0.00 C ATOM 858 C PRO A 55 75.149 -3.857 -1.311 1.00 0.00 C ATOM 859 O PRO A 55 75.135 -5.062 -1.157 1.00 0.00 O ATOM 860 CB PRO A 55 76.920 -3.576 -3.088 1.00 0.00 C ATOM 861 CG PRO A 55 77.803 -2.380 -2.656 1.00 0.00 C ATOM 862 CD PRO A 55 76.859 -1.175 -2.488 1.00 0.00 C ATOM 0 HA PRO A 55 74.744 -3.608 -3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.254 -4.497 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.980 -3.734 -4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 55 78.322 -2.599 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 55 78.567 -2.172 -3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.022 -0.671 -1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 55 77.016 -0.434 -3.271 1.00 0.00 H new ATOM 870 N ALA A 56 74.871 -3.045 -0.326 1.00 0.00 N ATOM 871 CA ALA A 56 74.529 -3.592 1.017 1.00 0.00 C ATOM 872 C ALA A 56 73.039 -3.930 1.065 1.00 0.00 C ATOM 873 O ALA A 56 72.613 -4.799 1.800 1.00 0.00 O ATOM 874 CB ALA A 56 74.852 -2.549 2.089 1.00 0.00 C ATOM 0 H ALA A 56 74.866 -2.027 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 56 75.111 -4.495 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 56 74.602 -2.948 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 56 75.915 -2.309 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 56 74.270 -1.646 1.905 1.00 0.00 H new ATOM 880 N CYS A 57 72.244 -3.253 0.285 1.00 0.00 N ATOM 881 CA CYS A 57 70.783 -3.537 0.282 1.00 0.00 C ATOM 882 C CYS A 57 70.345 -3.911 -1.135 1.00 0.00 C ATOM 883 O CYS A 57 70.770 -3.313 -2.104 1.00 0.00 O ATOM 884 CB CYS A 57 70.023 -2.292 0.739 1.00 0.00 C ATOM 885 SG CYS A 57 70.184 -2.111 2.533 1.00 0.00 S ATOM 0 H CYS A 57 72.544 -2.514 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 57 70.568 -4.362 0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 57 70.416 -1.408 0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.971 -2.373 0.464 1.00 0.00 H new ATOM 0 HG CYS A 57 69.540 -1.051 2.922 1.00 0.00 H new ATOM 891 N ASP A 58 69.501 -4.898 -1.267 1.00 0.00 N ATOM 892 CA ASP A 58 69.043 -5.307 -2.625 1.00 0.00 C ATOM 893 C ASP A 58 67.513 -5.327 -2.664 1.00 0.00 C ATOM 894 O ASP A 58 66.864 -5.698 -1.707 1.00 0.00 O ATOM 895 CB ASP A 58 69.581 -6.703 -2.945 1.00 0.00 C ATOM 896 CG ASP A 58 69.031 -7.163 -4.296 1.00 0.00 C ATOM 897 OD1 ASP A 58 69.466 -6.629 -5.303 1.00 0.00 O ATOM 898 OD2 ASP A 58 68.184 -8.041 -4.301 1.00 0.00 O ATOM 0 H ASP A 58 69.110 -5.438 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 58 69.415 -4.596 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 70.671 -6.688 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 58 69.290 -7.405 -2.164 1.00 0.00 H new ATOM 903 N LEU A 59 66.930 -4.929 -3.764 1.00 0.00 N ATOM 904 CA LEU A 59 65.441 -4.927 -3.857 1.00 0.00 C ATOM 905 C LEU A 59 65.009 -5.375 -5.252 1.00 0.00 C ATOM 906 O LEU A 59 63.850 -5.296 -5.605 1.00 0.00 O ATOM 907 CB LEU A 59 64.914 -3.516 -3.602 1.00 0.00 C ATOM 908 CG LEU A 59 64.891 -3.242 -2.101 1.00 0.00 C ATOM 909 CD1 LEU A 59 66.192 -2.551 -1.687 1.00 0.00 C ATOM 910 CD2 LEU A 59 63.705 -2.333 -1.776 1.00 0.00 C ATOM 0 H LEU A 59 67.419 -4.606 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 59 65.038 -5.612 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 59 65.546 -2.784 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 59 63.911 -3.411 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 59 64.794 -4.182 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.175 -2.356 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 59 67.038 -3.196 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 59 66.291 -1.609 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.683 -2.133 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.808 -1.393 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.778 -2.824 -2.073 1.00 0.00 H new ATOM 922 N THR A 60 65.925 -5.844 -6.050 1.00 0.00 N ATOM 923 CA THR A 60 65.551 -6.293 -7.418 1.00 0.00 C ATOM 924 C THR A 60 64.314 -7.189 -7.335 1.00 0.00 C ATOM 925 O THR A 60 63.401 -7.080 -8.129 1.00 0.00 O ATOM 926 CB THR A 60 66.711 -7.080 -8.029 1.00 0.00 C ATOM 927 OG1 THR A 60 67.936 -6.427 -7.725 1.00 0.00 O ATOM 928 CG2 THR A 60 66.532 -7.154 -9.543 1.00 0.00 C ATOM 0 H THR A 60 66.913 -5.936 -5.815 1.00 0.00 H new ATOM 0 HA THR A 60 65.332 -5.426 -8.041 1.00 0.00 H new ATOM 0 HB THR A 60 66.726 -8.089 -7.617 1.00 0.00 H new ATOM 0 HG1 THR A 60 68.309 -6.799 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A 60 67.358 -7.715 -9.980 1.00 0.00 H new ATOM 0 HG22 THR A 60 65.592 -7.654 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 60 66.518 -6.146 -9.957 1.00 0.00 H new ATOM 936 N LEU A 61 64.278 -8.073 -6.378 1.00 0.00 N ATOM 937 CA LEU A 61 63.102 -8.978 -6.239 1.00 0.00 C ATOM 938 C LEU A 61 62.173 -8.446 -5.148 1.00 0.00 C ATOM 939 O LEU A 61 61.119 -8.994 -4.894 1.00 0.00 O ATOM 940 CB LEU A 61 63.590 -10.376 -5.853 1.00 0.00 C ATOM 941 CG LEU A 61 64.137 -11.097 -7.091 1.00 0.00 C ATOM 942 CD1 LEU A 61 62.972 -11.664 -7.902 1.00 0.00 C ATOM 943 CD2 LEU A 61 64.934 -10.115 -7.962 1.00 0.00 C ATOM 0 H LEU A 61 65.013 -8.209 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 61 62.560 -9.023 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 61 64.366 -10.302 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 61 62.771 -10.950 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 61 64.794 -11.906 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 61 63.358 -12.177 -8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.410 -12.368 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.316 -10.851 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 61 65.319 -10.636 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 61 64.284 -9.300 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 61 65.766 -9.711 -7.386 1.00 0.00 H new ATOM 955 N PHE A 62 62.558 -7.384 -4.500 1.00 0.00 N ATOM 956 CA PHE A 62 61.704 -6.816 -3.423 1.00 0.00 C ATOM 957 C PHE A 62 60.359 -6.383 -4.005 1.00 0.00 C ATOM 958 O PHE A 62 60.287 -5.825 -5.081 1.00 0.00 O ATOM 959 CB PHE A 62 62.406 -5.607 -2.800 1.00 0.00 C ATOM 960 CG PHE A 62 61.472 -4.926 -1.830 1.00 0.00 C ATOM 961 CD1 PHE A 62 61.257 -5.479 -0.563 1.00 0.00 C ATOM 962 CD2 PHE A 62 60.820 -3.744 -2.198 1.00 0.00 C ATOM 963 CE1 PHE A 62 60.391 -4.848 0.338 1.00 0.00 C ATOM 964 CE2 PHE A 62 59.954 -3.113 -1.298 1.00 0.00 C ATOM 965 CZ PHE A 62 59.739 -3.665 -0.029 1.00 0.00 C ATOM 0 H PHE A 62 63.430 -6.883 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 62 61.537 -7.574 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 62 63.313 -5.925 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 62 62.710 -4.908 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 62 61.759 -6.392 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 62 60.985 -3.319 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 62 60.226 -5.274 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 62 59.451 -2.200 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 62 59.071 -3.178 0.666 1.00 0.00 H new ATOM 975 N ASP A 63 59.294 -6.633 -3.296 1.00 0.00 N ATOM 976 CA ASP A 63 57.952 -6.233 -3.799 1.00 0.00 C ATOM 977 C ASP A 63 57.616 -4.841 -3.265 1.00 0.00 C ATOM 978 O ASP A 63 57.291 -4.672 -2.106 1.00 0.00 O ATOM 979 CB ASP A 63 56.904 -7.236 -3.309 1.00 0.00 C ATOM 980 CG ASP A 63 56.524 -8.178 -4.453 1.00 0.00 C ATOM 981 OD1 ASP A 63 57.091 -8.037 -5.524 1.00 0.00 O ATOM 982 OD2 ASP A 63 55.672 -9.024 -4.238 1.00 0.00 O ATOM 0 H ASP A 63 59.296 -7.098 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 63 57.955 -6.219 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 63 57.298 -7.808 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 63 56.020 -6.708 -2.950 1.00 0.00 H new ATOM 987 N PHE A 64 57.702 -3.840 -4.096 1.00 0.00 N ATOM 988 CA PHE A 64 57.397 -2.459 -3.630 1.00 0.00 C ATOM 989 C PHE A 64 55.903 -2.342 -3.325 1.00 0.00 C ATOM 990 O PHE A 64 55.181 -1.612 -3.976 1.00 0.00 O ATOM 991 CB PHE A 64 57.778 -1.460 -4.724 1.00 0.00 C ATOM 992 CG PHE A 64 58.439 -0.260 -4.093 1.00 0.00 C ATOM 993 CD1 PHE A 64 59.722 -0.380 -3.549 1.00 0.00 C ATOM 994 CD2 PHE A 64 57.773 0.970 -4.051 1.00 0.00 C ATOM 995 CE1 PHE A 64 60.341 0.728 -2.963 1.00 0.00 C ATOM 996 CE2 PHE A 64 58.393 2.081 -3.464 1.00 0.00 C ATOM 997 CZ PHE A 64 59.677 1.959 -2.920 1.00 0.00 C ATOM 0 H PHE A 64 57.970 -3.919 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 64 57.967 -2.243 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 64 58.454 -1.927 -5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 64 56.891 -1.152 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 64 60.235 -1.330 -3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 64 56.782 1.063 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 64 61.332 0.634 -2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 64 57.880 3.031 -3.431 1.00 0.00 H new ATOM 0 HZ PHE A 64 60.155 2.815 -2.467 1.00 0.00 H new ATOM 1007 N LYS A 65 55.430 -3.057 -2.340 1.00 0.00 N ATOM 1008 CA LYS A 65 53.981 -2.985 -1.999 1.00 0.00 C ATOM 1009 C LYS A 65 53.692 -3.880 -0.792 1.00 0.00 C ATOM 1010 O LYS A 65 52.836 -3.587 0.019 1.00 0.00 O ATOM 1011 CB LYS A 65 53.154 -3.461 -3.194 1.00 0.00 C ATOM 1012 CG LYS A 65 51.699 -3.024 -3.017 1.00 0.00 C ATOM 1013 CD LYS A 65 50.785 -3.954 -3.818 1.00 0.00 C ATOM 1014 CE LYS A 65 50.669 -5.302 -3.103 1.00 0.00 C ATOM 1015 NZ LYS A 65 50.979 -6.400 -4.062 1.00 0.00 N ATOM 0 H LYS A 65 55.983 -3.686 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 65 53.717 -1.955 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 65 53.559 -3.047 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 65 53.211 -4.546 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 65 51.426 -3.049 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 65 51.574 -1.995 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 65 49.799 -3.504 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 65 51.185 -4.097 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 65 51.356 -5.338 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 65 49.663 -5.428 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 51.515 -7.146 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 50.092 -6.798 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 51.546 -6.024 -4.849 1.00 0.00 H new ATOM 1029 N GLN A 66 54.395 -4.973 -0.670 1.00 0.00 N ATOM 1030 CA GLN A 66 54.155 -5.887 0.482 1.00 0.00 C ATOM 1031 C GLN A 66 55.313 -5.780 1.475 1.00 0.00 C ATOM 1032 O GLN A 66 55.133 -5.912 2.670 1.00 0.00 O ATOM 1033 CB GLN A 66 54.047 -7.326 -0.029 1.00 0.00 C ATOM 1034 CG GLN A 66 52.982 -7.395 -1.126 1.00 0.00 C ATOM 1035 CD GLN A 66 53.108 -8.719 -1.882 1.00 0.00 C ATOM 1036 OE1 GLN A 66 52.689 -8.825 -3.018 1.00 0.00 O ATOM 1037 NE2 GLN A 66 53.672 -9.740 -1.298 1.00 0.00 N ATOM 0 H GLN A 66 55.124 -5.272 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 66 53.228 -5.606 0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 66 55.009 -7.659 -0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 66 53.786 -7.996 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 66 51.988 -7.308 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 66 53.101 -6.559 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 66 54.024 -9.652 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 66 53.761 -10.626 -1.795 1.00 0.00 H new ATOM 1046 N GLY A 67 56.502 -5.540 0.993 1.00 0.00 N ATOM 1047 CA GLY A 67 57.668 -5.423 1.913 1.00 0.00 C ATOM 1048 C GLY A 67 58.423 -6.752 1.955 1.00 0.00 C ATOM 1049 O GLY A 67 58.892 -7.177 2.992 1.00 0.00 O ATOM 0 H GLY A 67 56.716 -5.420 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 67 58.332 -4.627 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 67 57.329 -5.154 2.913 1.00 0.00 H new ATOM 1053 N ILE A 68 58.542 -7.414 0.837 1.00 0.00 N ATOM 1054 CA ILE A 68 59.266 -8.716 0.819 1.00 0.00 C ATOM 1055 C ILE A 68 60.120 -8.811 -0.449 1.00 0.00 C ATOM 1056 O ILE A 68 59.955 -8.046 -1.377 1.00 0.00 O ATOM 1057 CB ILE A 68 58.251 -9.859 0.833 1.00 0.00 C ATOM 1058 CG1 ILE A 68 57.308 -9.714 -0.365 1.00 0.00 C ATOM 1059 CG2 ILE A 68 57.440 -9.808 2.129 1.00 0.00 C ATOM 1060 CD1 ILE A 68 57.665 -10.757 -1.425 1.00 0.00 C ATOM 0 H ILE A 68 58.170 -7.110 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 68 59.910 -8.786 1.696 1.00 0.00 H new ATOM 0 HB ILE A 68 58.776 -10.812 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 68 56.274 -9.844 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 68 57.388 -8.711 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 68 56.717 -10.623 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 68 58.111 -9.909 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 68 56.914 -8.855 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 68 56.994 -10.654 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 68 58.694 -10.606 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 68 57.562 -11.756 -1.001 1.00 0.00 H new ATOM 1072 N LEU A 69 61.031 -9.747 -0.495 1.00 0.00 N ATOM 1073 CA LEU A 69 61.893 -9.892 -1.701 1.00 0.00 C ATOM 1074 C LEU A 69 62.374 -11.341 -1.817 1.00 0.00 C ATOM 1075 O LEU A 69 61.996 -12.195 -1.040 1.00 0.00 O ATOM 1076 CB LEU A 69 63.103 -8.963 -1.577 1.00 0.00 C ATOM 1077 CG LEU A 69 64.007 -9.445 -0.440 1.00 0.00 C ATOM 1078 CD1 LEU A 69 65.456 -9.494 -0.926 1.00 0.00 C ATOM 1079 CD2 LEU A 69 63.900 -8.476 0.739 1.00 0.00 C ATOM 0 H LEU A 69 61.214 -10.417 0.252 1.00 0.00 H new ATOM 0 HA LEU A 69 61.319 -9.628 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.659 -8.946 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.772 -7.942 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 69 63.695 -10.441 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.100 -9.837 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.534 -10.182 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.768 -8.498 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.543 -8.817 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.213 -7.481 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.867 -8.438 1.086 1.00 0.00 H new ATOM 1091 N CYS A 70 63.208 -11.621 -2.781 1.00 0.00 N ATOM 1092 CA CYS A 70 63.720 -13.011 -2.949 1.00 0.00 C ATOM 1093 C CYS A 70 65.042 -12.975 -3.720 1.00 0.00 C ATOM 1094 O CYS A 70 65.291 -12.077 -4.499 1.00 0.00 O ATOM 1095 CB CYS A 70 62.696 -13.842 -3.726 1.00 0.00 C ATOM 1096 SG CYS A 70 62.013 -15.123 -2.645 1.00 0.00 S ATOM 0 H CYS A 70 63.558 -10.946 -3.461 1.00 0.00 H new ATOM 0 HA CYS A 70 63.882 -13.461 -1.970 1.00 0.00 H new ATOM 0 HB2 CYS A 70 61.897 -13.200 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 70 63.168 -14.299 -4.596 1.00 0.00 H new ATOM 0 HG CYS A 70 61.142 -15.828 -3.304 1.00 0.00 H new