USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 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 13 SER OG : rot -36:sc= 0.00098 USER MOD Set 1.2: A 75 THR OG1 : rot -69:sc= 0.599 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.505 USER MOD Set 2.2: A 67 SER OG : rot 65:sc= -1.65! USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0725) USER MOD Single : A 18 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0519) USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.124) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.000979) USER MOD Single : A 38 GLN : amide:sc= -1.01 X(o=-1,f=-0.52) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00356) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.0648) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.717 -0.154 -9.486 1.00 0.00 N ATOM 76 CA SER A 13 72.514 -0.589 -8.710 1.00 0.00 C ATOM 77 C SER A 13 72.370 0.252 -7.439 1.00 0.00 C ATOM 78 O SER A 13 73.342 0.783 -6.929 1.00 0.00 O ATOM 79 CB SER A 13 72.783 -2.052 -8.355 1.00 0.00 C ATOM 80 OG SER A 13 73.986 -2.141 -7.606 1.00 0.00 O ATOM 0 HA SER A 13 71.591 -0.468 -9.277 1.00 0.00 H new ATOM 0 HB2 SER A 13 71.951 -2.457 -7.778 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.862 -2.650 -9.263 1.00 0.00 H new ATOM 0 HG SER A 13 74.629 -1.481 -7.940 1.00 0.00 H new ATOM 86 N GLU A 14 71.162 0.369 -6.931 1.00 0.00 N ATOM 87 CA GLU A 14 70.916 1.225 -5.730 1.00 0.00 C ATOM 88 C GLU A 14 69.745 0.677 -4.906 1.00 0.00 C ATOM 89 O GLU A 14 68.818 0.097 -5.445 1.00 0.00 O ATOM 90 CB GLU A 14 70.574 2.607 -6.292 1.00 0.00 C ATOM 91 CG GLU A 14 70.553 3.632 -5.156 1.00 0.00 C ATOM 92 CD GLU A 14 70.093 4.987 -5.696 1.00 0.00 C ATOM 93 OE1 GLU A 14 69.127 5.011 -6.441 1.00 0.00 O ATOM 94 OE2 GLU A 14 70.716 5.979 -5.356 1.00 0.00 O ATOM 0 H GLU A 14 70.334 -0.096 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 14 71.780 1.253 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.308 2.897 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.604 2.579 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.883 3.298 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.546 3.723 -4.716 1.00 0.00 H new ATOM 101 N LEU A 15 69.794 0.864 -3.607 1.00 0.00 N ATOM 102 CA LEU A 15 68.672 0.431 -2.717 1.00 0.00 C ATOM 103 C LEU A 15 68.213 1.605 -1.846 1.00 0.00 C ATOM 104 O LEU A 15 69.000 2.182 -1.116 1.00 0.00 O ATOM 105 CB LEU A 15 69.274 -0.679 -1.850 1.00 0.00 C ATOM 106 CG LEU A 15 68.170 -1.629 -1.380 1.00 0.00 C ATOM 107 CD1 LEU A 15 68.805 -2.873 -0.756 1.00 0.00 C ATOM 108 CD2 LEU A 15 67.300 -0.930 -0.335 1.00 0.00 C ATOM 0 H LEU A 15 70.575 1.304 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 15 67.800 0.089 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 15 70.023 -1.231 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.783 -0.245 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 15 67.554 -1.917 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 15 68.021 -3.552 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 69.427 -3.375 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 15 69.420 -2.580 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 15 66.515 -1.609 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 15 67.916 -0.642 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 15 66.848 -0.040 -0.774 1.00 0.00 H new ATOM 120 N LYS A 16 66.948 1.957 -1.926 1.00 0.00 N ATOM 121 CA LYS A 16 66.408 3.068 -1.078 1.00 0.00 C ATOM 122 C LYS A 16 65.542 2.508 0.054 1.00 0.00 C ATOM 123 O LYS A 16 64.692 1.663 -0.171 1.00 0.00 O ATOM 124 CB LYS A 16 65.561 3.921 -2.024 1.00 0.00 C ATOM 125 CG LYS A 16 66.454 4.941 -2.746 1.00 0.00 C ATOM 126 CD LYS A 16 65.639 6.191 -3.082 1.00 0.00 C ATOM 127 CE LYS A 16 66.465 7.115 -3.981 1.00 0.00 C ATOM 128 NZ LYS A 16 66.274 6.581 -5.358 1.00 0.00 N ATOM 0 H LYS A 16 66.266 1.520 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 16 67.205 3.645 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 16 65.059 3.284 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.783 4.438 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.303 5.207 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.859 4.503 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.713 5.910 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.359 6.712 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.123 8.147 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.517 7.106 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 67.167 6.654 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.983 5.584 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.538 7.132 -5.845 1.00 0.00 H new ATOM 142 N LEU A 17 65.753 2.988 1.260 1.00 0.00 N ATOM 143 CA LEU A 17 65.031 2.435 2.449 1.00 0.00 C ATOM 144 C LEU A 17 64.368 3.559 3.249 1.00 0.00 C ATOM 145 O LEU A 17 64.808 4.694 3.214 1.00 0.00 O ATOM 146 CB LEU A 17 66.114 1.760 3.294 1.00 0.00 C ATOM 147 CG LEU A 17 66.645 0.530 2.558 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.035 0.179 3.090 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.698 -0.650 2.787 1.00 0.00 C ATOM 0 H LEU A 17 66.401 3.747 1.470 1.00 0.00 H new ATOM 0 HA LEU A 17 64.241 1.743 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.927 2.460 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.706 1.469 4.262 1.00 0.00 H new ATOM 0 HG LEU A 17 66.707 0.744 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.414 -0.698 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.710 1.019 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.973 -0.035 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.076 -1.527 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.635 -0.864 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.707 -0.400 2.408 1.00 0.00 H new ATOM 161 N LYS A 18 63.312 3.241 3.967 1.00 0.00 N ATOM 162 CA LYS A 18 62.688 4.229 4.900 1.00 0.00 C ATOM 163 C LYS A 18 62.434 3.570 6.272 1.00 0.00 C ATOM 164 O LYS A 18 61.912 2.470 6.308 1.00 0.00 O ATOM 165 CB LYS A 18 61.363 4.615 4.240 1.00 0.00 C ATOM 166 CG LYS A 18 60.740 5.792 4.993 1.00 0.00 C ATOM 167 CD LYS A 18 59.721 6.493 4.091 1.00 0.00 C ATOM 168 CE LYS A 18 59.282 7.806 4.742 1.00 0.00 C ATOM 169 NZ LYS A 18 58.288 7.407 5.778 1.00 0.00 N ATOM 0 H LYS A 18 62.855 2.330 3.943 1.00 0.00 H new ATOM 0 HA LYS A 18 63.325 5.097 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.529 4.884 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.681 3.765 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.254 5.439 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.516 6.494 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 18 60.159 6.689 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.857 5.848 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 18 60.129 8.329 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.840 8.482 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.369 7.845 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 58.186 6.372 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 58.614 7.725 6.713 1.00 0.00 H new ATOM 183 N PRO A 19 62.801 4.240 7.361 1.00 0.00 N ATOM 184 CA PRO A 19 62.515 3.686 8.714 1.00 0.00 C ATOM 185 C PRO A 19 61.035 3.869 9.062 1.00 0.00 C ATOM 186 O PRO A 19 60.438 4.880 8.730 1.00 0.00 O ATOM 187 CB PRO A 19 63.398 4.519 9.641 1.00 0.00 C ATOM 188 CG PRO A 19 63.583 5.819 8.931 1.00 0.00 C ATOM 189 CD PRO A 19 63.504 5.538 7.455 1.00 0.00 C ATOM 0 HA PRO A 19 62.717 2.618 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 19 62.925 4.663 10.612 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.354 4.028 9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.814 6.532 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.545 6.263 9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 19 62.959 6.323 6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.497 5.485 7.008 1.00 0.00 H new ATOM 197 N LEU A 20 60.447 2.898 9.725 1.00 0.00 N ATOM 198 CA LEU A 20 59.018 3.022 10.169 1.00 0.00 C ATOM 199 C LEU A 20 58.856 3.776 11.526 1.00 0.00 C ATOM 200 O LEU A 20 58.020 4.662 11.564 1.00 0.00 O ATOM 201 CB LEU A 20 58.448 1.595 10.203 1.00 0.00 C ATOM 202 CG LEU A 20 58.409 1.026 8.782 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.340 -0.500 8.844 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.175 1.563 8.055 1.00 0.00 C ATOM 0 H LEU A 20 60.899 2.019 9.979 1.00 0.00 H new ATOM 0 HA LEU A 20 58.458 3.642 9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.063 0.962 10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.445 1.603 10.631 1.00 0.00 H new ATOM 0 HG LEU A 20 59.309 1.326 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.312 -0.904 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.218 -0.883 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.440 -0.802 9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.145 1.159 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.276 1.262 8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.224 2.651 8.010 1.00 0.00 H new ATOM 216 N PRO A 21 59.601 3.460 12.605 1.00 0.00 N ATOM 217 CA PRO A 21 59.598 4.383 13.784 1.00 0.00 C ATOM 218 C PRO A 21 60.324 5.687 13.433 1.00 0.00 C ATOM 219 O PRO A 21 60.977 5.778 12.408 1.00 0.00 O ATOM 220 CB PRO A 21 60.351 3.616 14.872 1.00 0.00 C ATOM 221 CG PRO A 21 61.206 2.644 14.133 1.00 0.00 C ATOM 222 CD PRO A 21 60.462 2.283 12.881 1.00 0.00 C ATOM 0 HA PRO A 21 58.593 4.661 14.101 1.00 0.00 H new ATOM 0 HB2 PRO A 21 60.954 4.287 15.484 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.662 3.105 15.544 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.175 3.083 13.895 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.398 1.758 14.739 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.146 2.090 12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 21 59.867 1.380 13.020 1.00 0.00 H new ATOM 230 N LYS A 22 60.209 6.686 14.279 1.00 0.00 N ATOM 231 CA LYS A 22 60.905 7.989 14.027 1.00 0.00 C ATOM 232 C LYS A 22 62.356 7.914 14.517 1.00 0.00 C ATOM 233 O LYS A 22 62.632 8.128 15.686 1.00 0.00 O ATOM 234 CB LYS A 22 60.123 9.040 14.825 1.00 0.00 C ATOM 235 CG LYS A 22 58.721 9.195 14.231 1.00 0.00 C ATOM 236 CD LYS A 22 58.785 10.104 13.002 1.00 0.00 C ATOM 237 CE LYS A 22 58.783 11.567 13.449 1.00 0.00 C ATOM 238 NZ LYS A 22 57.349 11.894 13.687 1.00 0.00 N ATOM 0 H LYS A 22 59.660 6.653 15.138 1.00 0.00 H new ATOM 0 HA LYS A 22 60.934 8.235 12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.055 8.741 15.871 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.648 9.995 14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.322 8.219 13.954 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.044 9.617 14.974 1.00 0.00 H new ATOM 0 HD2 LYS A 22 59.685 9.890 12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.934 9.911 12.349 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.375 11.704 14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 22 59.214 12.214 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 57.268 12.514 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.961 12.380 12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.816 11.017 13.856 1.00 0.00 H new ATOM 252 N VAL A 23 63.274 7.609 13.627 1.00 0.00 N ATOM 253 CA VAL A 23 64.716 7.493 14.017 1.00 0.00 C ATOM 254 C VAL A 23 65.618 7.974 12.867 1.00 0.00 C ATOM 255 O VAL A 23 65.318 7.755 11.706 1.00 0.00 O ATOM 256 CB VAL A 23 64.925 5.997 14.338 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.666 5.122 13.103 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.359 5.767 14.829 1.00 0.00 C ATOM 0 H VAL A 23 63.083 7.434 12.640 1.00 0.00 H new ATOM 0 HA VAL A 23 64.974 8.114 14.875 1.00 0.00 H new ATOM 0 HB VAL A 23 64.215 5.717 15.116 1.00 0.00 H new ATOM 0 HG11 VAL A 23 64.821 4.074 13.360 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.640 5.264 12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.353 5.405 12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.501 4.710 15.054 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.062 6.071 14.054 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.534 6.356 15.729 1.00 0.00 H new ATOM 268 N GLU A 24 66.712 8.624 13.196 1.00 0.00 N ATOM 269 CA GLU A 24 67.688 9.071 12.153 1.00 0.00 C ATOM 270 C GLU A 24 69.106 8.651 12.548 1.00 0.00 C ATOM 271 O GLU A 24 69.655 9.146 13.516 1.00 0.00 O ATOM 272 CB GLU A 24 67.569 10.596 12.126 1.00 0.00 C ATOM 273 CG GLU A 24 66.197 10.995 11.580 1.00 0.00 C ATOM 274 CD GLU A 24 66.109 12.520 11.486 1.00 0.00 C ATOM 275 OE1 GLU A 24 65.984 13.151 12.523 1.00 0.00 O ATOM 276 OE2 GLU A 24 66.165 13.030 10.380 1.00 0.00 O ATOM 0 H GLU A 24 66.971 8.865 14.153 1.00 0.00 H new ATOM 0 HA GLU A 24 67.483 8.630 11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.703 10.999 13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.357 11.021 11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.041 10.550 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.410 10.614 12.231 1.00 0.00 H new ATOM 283 N LEU A 25 69.696 7.742 11.800 1.00 0.00 N ATOM 284 CA LEU A 25 71.055 7.221 12.154 1.00 0.00 C ATOM 285 C LEU A 25 72.146 8.040 11.435 1.00 0.00 C ATOM 286 O LEU A 25 71.940 8.439 10.304 1.00 0.00 O ATOM 287 CB LEU A 25 71.069 5.771 11.667 1.00 0.00 C ATOM 288 CG LEU A 25 70.121 4.932 12.526 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.896 3.573 11.859 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.735 4.724 13.912 1.00 0.00 C ATOM 0 H LEU A 25 69.290 7.339 10.956 1.00 0.00 H new ATOM 0 HA LEU A 25 71.255 7.293 13.223 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.765 5.725 10.621 1.00 0.00 H new ATOM 0 HB3 LEU A 25 72.080 5.368 11.723 1.00 0.00 H new ATOM 0 HG LEU A 25 69.168 5.451 12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 25 69.221 2.975 12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.457 3.720 10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.850 3.055 11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 25 70.059 4.126 14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.689 4.206 13.813 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.895 5.691 14.388 1.00 0.00 H new ATOM 302 N PRO A 26 73.277 8.273 12.098 1.00 0.00 N ATOM 303 CA PRO A 26 74.416 8.992 11.441 1.00 0.00 C ATOM 304 C PRO A 26 74.902 8.254 10.173 1.00 0.00 C ATOM 305 O PRO A 26 74.563 7.101 9.979 1.00 0.00 O ATOM 306 CB PRO A 26 75.510 8.999 12.513 1.00 0.00 C ATOM 307 CG PRO A 26 74.781 8.818 13.800 1.00 0.00 C ATOM 308 CD PRO A 26 73.614 7.926 13.494 1.00 0.00 C ATOM 0 HA PRO A 26 74.134 9.991 11.108 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.230 8.197 12.349 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.068 9.935 12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.427 8.369 14.554 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.446 9.776 14.196 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.876 6.873 13.595 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.778 8.112 14.168 1.00 0.00 H new ATOM 316 N PRO A 27 75.682 8.936 9.345 1.00 0.00 N ATOM 317 CA PRO A 27 76.095 8.369 8.023 1.00 0.00 C ATOM 318 C PRO A 27 77.020 7.145 8.161 1.00 0.00 C ATOM 319 O PRO A 27 77.300 6.489 7.174 1.00 0.00 O ATOM 320 CB PRO A 27 76.838 9.528 7.343 1.00 0.00 C ATOM 321 CG PRO A 27 76.437 10.744 8.110 1.00 0.00 C ATOM 322 CD PRO A 27 76.250 10.286 9.523 1.00 0.00 C ATOM 0 HA PRO A 27 75.235 8.008 7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 27 77.917 9.379 7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.559 9.614 6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.203 11.517 8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.517 11.173 7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.192 10.261 10.070 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.577 10.940 10.077 1.00 0.00 H new ATOM 330 N ASP A 28 77.502 6.836 9.349 1.00 0.00 N ATOM 331 CA ASP A 28 78.380 5.627 9.519 1.00 0.00 C ATOM 332 C ASP A 28 77.538 4.340 9.527 1.00 0.00 C ATOM 333 O ASP A 28 78.008 3.286 9.129 1.00 0.00 O ATOM 334 CB ASP A 28 79.138 5.818 10.847 1.00 0.00 C ATOM 335 CG ASP A 28 78.164 5.938 12.028 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.465 4.974 12.293 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.141 6.989 12.645 1.00 0.00 O ATOM 0 H ASP A 28 77.326 7.366 10.203 1.00 0.00 H new ATOM 0 HA ASP A 28 79.082 5.527 8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.810 4.975 11.010 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.757 6.713 10.790 1.00 0.00 H new ATOM 342 N PHE A 29 76.298 4.421 9.970 1.00 0.00 N ATOM 343 CA PHE A 29 75.418 3.198 10.027 1.00 0.00 C ATOM 344 C PHE A 29 75.242 2.578 8.635 1.00 0.00 C ATOM 345 O PHE A 29 75.359 1.378 8.475 1.00 0.00 O ATOM 346 CB PHE A 29 74.067 3.670 10.579 1.00 0.00 C ATOM 347 CG PHE A 29 73.977 3.580 12.083 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.638 4.546 12.901 1.00 0.00 C ATOM 349 CD2 PHE A 29 73.230 2.522 12.688 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.554 4.454 14.325 1.00 0.00 C ATOM 351 CE2 PHE A 29 73.145 2.430 14.112 1.00 0.00 C ATOM 352 CZ PHE A 29 73.807 3.397 14.931 1.00 0.00 C ATOM 0 H PHE A 29 75.857 5.282 10.295 1.00 0.00 H new ATOM 0 HA PHE A 29 75.862 2.428 10.658 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.897 4.702 10.272 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.271 3.070 10.137 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.201 5.346 12.444 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.730 1.792 12.069 1.00 0.00 H new ATOM 0 HE1 PHE A 29 75.055 5.184 14.943 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.581 1.630 14.569 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.743 3.329 16.007 1.00 0.00 H new ATOM 362 N VAL A 30 74.974 3.388 7.632 1.00 0.00 N ATOM 363 CA VAL A 30 74.601 2.843 6.277 1.00 0.00 C ATOM 364 C VAL A 30 75.722 1.936 5.726 1.00 0.00 C ATOM 365 O VAL A 30 75.457 0.969 5.033 1.00 0.00 O ATOM 366 CB VAL A 30 74.356 4.077 5.379 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.644 4.892 5.200 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.839 3.624 4.010 1.00 0.00 C ATOM 0 H VAL A 30 74.997 4.406 7.692 1.00 0.00 H new ATOM 0 HA VAL A 30 73.710 2.217 6.320 1.00 0.00 H new ATOM 0 HB VAL A 30 73.613 4.711 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.444 5.754 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 30 75.997 5.233 6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.408 4.268 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.667 4.496 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.577 2.975 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 30 72.904 3.078 4.137 1.00 0.00 H new ATOM 378 N ASP A 31 76.959 2.250 6.046 1.00 0.00 N ATOM 379 CA ASP A 31 78.108 1.397 5.596 1.00 0.00 C ATOM 380 C ASP A 31 78.092 0.060 6.343 1.00 0.00 C ATOM 381 O ASP A 31 78.314 -0.984 5.755 1.00 0.00 O ATOM 382 CB ASP A 31 79.379 2.183 5.936 1.00 0.00 C ATOM 383 CG ASP A 31 79.437 3.459 5.092 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.173 3.374 3.904 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.745 4.500 5.649 1.00 0.00 O ATOM 0 H ASP A 31 77.222 3.064 6.602 1.00 0.00 H new ATOM 0 HA ASP A 31 78.052 1.177 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.389 2.436 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.260 1.569 5.746 1.00 0.00 H new ATOM 390 N VAL A 32 77.822 0.091 7.630 1.00 0.00 N ATOM 391 CA VAL A 32 77.844 -1.171 8.450 1.00 0.00 C ATOM 392 C VAL A 32 76.669 -2.071 8.033 1.00 0.00 C ATOM 393 O VAL A 32 76.811 -3.279 7.945 1.00 0.00 O ATOM 394 CB VAL A 32 77.721 -0.736 9.927 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.772 -1.962 10.846 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.880 0.198 10.297 1.00 0.00 C ATOM 0 H VAL A 32 77.587 0.936 8.150 1.00 0.00 H new ATOM 0 HA VAL A 32 78.760 -1.742 8.300 1.00 0.00 H new ATOM 0 HB VAL A 32 76.770 -0.219 10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.684 -1.642 11.884 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.949 -2.634 10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.719 -2.483 10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.785 0.500 11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.827 -0.323 10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.853 1.082 9.660 1.00 0.00 H new ATOM 406 N ILE A 33 75.519 -1.485 7.774 1.00 0.00 N ATOM 407 CA ILE A 33 74.327 -2.285 7.316 1.00 0.00 C ATOM 408 C ILE A 33 74.625 -2.944 5.956 1.00 0.00 C ATOM 409 O ILE A 33 74.318 -4.105 5.749 1.00 0.00 O ATOM 410 CB ILE A 33 73.158 -1.273 7.216 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.861 -0.657 8.604 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.887 -1.946 6.672 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.460 -1.734 9.629 1.00 0.00 C ATOM 0 H ILE A 33 75.353 -0.482 7.860 1.00 0.00 H new ATOM 0 HA ILE A 33 74.081 -3.094 8.004 1.00 0.00 H new ATOM 0 HB ILE A 33 73.458 -0.485 6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.742 -0.124 8.962 1.00 0.00 H new ATOM 0 HG13 ILE A 33 72.059 0.076 8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 33 71.083 -1.212 6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 33 72.085 -2.348 5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.590 -2.756 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 33 72.259 -1.263 10.591 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.564 -2.250 9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 33 73.272 -2.452 9.739 1.00 0.00 H new ATOM 425 N ARG A 34 75.224 -2.211 5.041 1.00 0.00 N ATOM 426 CA ARG A 34 75.577 -2.786 3.692 1.00 0.00 C ATOM 427 C ARG A 34 76.526 -3.987 3.837 1.00 0.00 C ATOM 428 O ARG A 34 76.363 -4.991 3.166 1.00 0.00 O ATOM 429 CB ARG A 34 76.271 -1.656 2.923 1.00 0.00 C ATOM 430 CG ARG A 34 76.430 -2.055 1.454 1.00 0.00 C ATOM 431 CD ARG A 34 77.206 -0.964 0.708 1.00 0.00 C ATOM 432 NE ARG A 34 78.617 -1.047 1.217 1.00 0.00 N ATOM 433 CZ ARG A 34 79.457 -0.029 1.140 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.128 1.124 0.598 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.665 -0.175 1.614 1.00 0.00 N ATOM 0 H ARG A 34 75.486 -1.234 5.169 1.00 0.00 H new ATOM 0 HA ARG A 34 74.688 -3.145 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.687 -0.739 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.247 -1.450 3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.957 -3.006 1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.451 -2.197 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.169 -1.124 -0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.778 0.020 0.899 1.00 0.00 H new ATOM 0 HE ARG A 34 78.938 -1.919 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.192 1.259 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.809 1.883 0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.945 -1.062 2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.329 0.598 1.565 1.00 0.00 H new ATOM 449 N ILE A 35 77.504 -3.884 4.710 1.00 0.00 N ATOM 450 CA ILE A 35 78.509 -4.994 4.882 1.00 0.00 C ATOM 451 C ILE A 35 77.814 -6.251 5.436 1.00 0.00 C ATOM 452 O ILE A 35 78.105 -7.356 5.014 1.00 0.00 O ATOM 453 CB ILE A 35 79.570 -4.454 5.867 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.272 -3.239 5.251 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.626 -5.525 6.169 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.936 -2.417 6.359 1.00 0.00 C ATOM 0 H ILE A 35 77.652 -3.076 5.315 1.00 0.00 H new ATOM 0 HA ILE A 35 78.971 -5.282 3.938 1.00 0.00 H new ATOM 0 HB ILE A 35 79.065 -4.174 6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 35 81.020 -3.565 4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.552 -2.625 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 35 81.363 -5.123 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 35 80.144 -6.396 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.122 -5.818 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.435 -1.553 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.178 -2.079 7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.668 -3.034 6.880 1.00 0.00 H new ATOM 468 N LYS A 36 76.914 -6.081 6.375 1.00 0.00 N ATOM 469 CA LYS A 36 76.162 -7.253 6.941 1.00 0.00 C ATOM 470 C LYS A 36 75.221 -7.861 5.892 1.00 0.00 C ATOM 471 O LYS A 36 75.111 -9.068 5.782 1.00 0.00 O ATOM 472 CB LYS A 36 75.351 -6.704 8.120 1.00 0.00 C ATOM 473 CG LYS A 36 76.305 -6.258 9.231 1.00 0.00 C ATOM 474 CD LYS A 36 75.508 -5.966 10.505 1.00 0.00 C ATOM 475 CE LYS A 36 74.714 -4.670 10.329 1.00 0.00 C ATOM 476 NZ LYS A 36 73.870 -4.567 11.553 1.00 0.00 N ATOM 0 H LYS A 36 76.665 -5.178 6.777 1.00 0.00 H new ATOM 0 HA LYS A 36 76.846 -8.043 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.738 -5.864 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.671 -7.469 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 36 77.045 -7.035 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.851 -5.368 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.831 -6.793 10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 36 76.183 -5.878 11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 36 75.377 -3.810 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 36 74.101 -4.702 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 73.211 -3.769 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 73.331 -5.448 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 74.478 -4.413 12.382 1.00 0.00 H new ATOM 490 N LEU A 37 74.550 -7.031 5.125 1.00 0.00 N ATOM 491 CA LEU A 37 73.382 -7.510 4.313 1.00 0.00 C ATOM 492 C LEU A 37 73.808 -8.020 2.929 1.00 0.00 C ATOM 493 O LEU A 37 73.102 -8.807 2.327 1.00 0.00 O ATOM 494 CB LEU A 37 72.462 -6.294 4.169 1.00 0.00 C ATOM 495 CG LEU A 37 71.674 -6.087 5.464 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.986 -4.722 5.428 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.616 -7.185 5.602 1.00 0.00 C ATOM 0 H LEU A 37 74.762 -6.038 5.026 1.00 0.00 H new ATOM 0 HA LEU A 37 72.892 -8.351 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 37 73.051 -5.405 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.776 -6.441 3.334 1.00 0.00 H new ATOM 0 HG LEU A 37 72.356 -6.131 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.424 -4.573 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.737 -3.938 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.305 -4.680 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 37 70.055 -7.036 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.934 -7.142 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 37 71.104 -8.159 5.627 1.00 0.00 H new ATOM 509 N GLN A 38 74.946 -7.581 2.419 1.00 0.00 N ATOM 510 CA GLN A 38 75.391 -7.977 1.025 1.00 0.00 C ATOM 511 C GLN A 38 75.317 -9.499 0.793 1.00 0.00 C ATOM 512 O GLN A 38 75.534 -10.280 1.703 1.00 0.00 O ATOM 513 CB GLN A 38 76.844 -7.482 0.883 1.00 0.00 C ATOM 514 CG GLN A 38 77.746 -8.115 1.952 1.00 0.00 C ATOM 515 CD GLN A 38 79.163 -7.551 1.828 1.00 0.00 C ATOM 516 OE1 GLN A 38 80.122 -8.293 1.760 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.337 -6.257 1.795 1.00 0.00 N ATOM 0 H GLN A 38 75.591 -6.962 2.910 1.00 0.00 H new ATOM 0 HA GLN A 38 74.730 -7.532 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.221 -7.729 -0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.873 -6.396 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.348 -7.910 2.946 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.763 -9.198 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.532 -5.633 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.277 -5.871 1.712 1.00 0.00 H new ATOM 526 N GLY A 39 75.014 -9.904 -0.420 1.00 0.00 N ATOM 527 CA GLY A 39 74.809 -11.357 -0.722 1.00 0.00 C ATOM 528 C GLY A 39 73.318 -11.719 -0.667 1.00 0.00 C ATOM 529 O GLY A 39 72.896 -12.671 -1.300 1.00 0.00 O ATOM 0 H GLY A 39 74.899 -9.282 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.208 -11.588 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.362 -11.964 -0.005 1.00 0.00 H new ATOM 533 N LYS A 40 72.522 -10.976 0.077 1.00 0.00 N ATOM 534 CA LYS A 40 71.046 -11.237 0.117 1.00 0.00 C ATOM 535 C LYS A 40 70.345 -10.461 -1.001 1.00 0.00 C ATOM 536 O LYS A 40 70.817 -9.421 -1.427 1.00 0.00 O ATOM 537 CB LYS A 40 70.577 -10.739 1.488 1.00 0.00 C ATOM 538 CG LYS A 40 71.179 -11.620 2.586 1.00 0.00 C ATOM 539 CD LYS A 40 70.623 -11.191 3.946 1.00 0.00 C ATOM 540 CE LYS A 40 71.312 -11.989 5.056 1.00 0.00 C ATOM 541 NZ LYS A 40 70.552 -13.268 5.135 1.00 0.00 N ATOM 0 H LYS A 40 72.836 -10.199 0.658 1.00 0.00 H new ATOM 0 HA LYS A 40 70.815 -12.292 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.880 -9.702 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.489 -10.764 1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.942 -12.667 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.266 -11.534 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.786 -10.124 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.546 -11.357 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 40 72.362 -12.167 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.283 -11.453 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.943 -13.857 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 69.551 -13.065 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 70.631 -13.775 4.231 1.00 0.00 H new ATOM 555 N THR A 41 69.227 -10.968 -1.473 1.00 0.00 N ATOM 556 CA THR A 41 68.483 -10.294 -2.582 1.00 0.00 C ATOM 557 C THR A 41 67.308 -9.488 -2.020 1.00 0.00 C ATOM 558 O THR A 41 66.710 -9.865 -1.027 1.00 0.00 O ATOM 559 CB THR A 41 67.978 -11.433 -3.469 1.00 0.00 C ATOM 560 OG1 THR A 41 69.055 -12.311 -3.766 1.00 0.00 O ATOM 561 CG2 THR A 41 67.413 -10.858 -4.769 1.00 0.00 C ATOM 0 H THR A 41 68.797 -11.828 -1.132 1.00 0.00 H new ATOM 0 HA THR A 41 69.110 -9.594 -3.134 1.00 0.00 H new ATOM 0 HB THR A 41 67.194 -11.981 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.734 -13.043 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.053 -11.671 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.588 -10.184 -4.540 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.195 -10.309 -5.294 1.00 0.00 H new ATOM 569 N VAL A 42 66.981 -8.387 -2.657 1.00 0.00 N ATOM 570 CA VAL A 42 65.905 -7.482 -2.139 1.00 0.00 C ATOM 571 C VAL A 42 64.922 -7.121 -3.259 1.00 0.00 C ATOM 572 O VAL A 42 65.318 -6.921 -4.394 1.00 0.00 O ATOM 573 CB VAL A 42 66.623 -6.220 -1.616 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.520 -6.593 -0.434 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.482 -5.578 -2.720 1.00 0.00 C ATOM 0 H VAL A 42 67.419 -8.074 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 42 65.325 -7.962 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 42 65.866 -5.502 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.026 -5.701 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.912 -7.020 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.261 -7.324 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.977 -4.691 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.233 -6.292 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.845 -5.296 -3.559 1.00 0.00 H new ATOM 585 N ARG A 43 63.651 -7.044 -2.936 1.00 0.00 N ATOM 586 CA ARG A 43 62.637 -6.523 -3.902 1.00 0.00 C ATOM 587 C ARG A 43 61.700 -5.541 -3.192 1.00 0.00 C ATOM 588 O ARG A 43 61.397 -5.701 -2.023 1.00 0.00 O ATOM 589 CB ARG A 43 61.865 -7.758 -4.371 1.00 0.00 C ATOM 590 CG ARG A 43 60.954 -7.378 -5.541 1.00 0.00 C ATOM 591 CD ARG A 43 59.998 -8.537 -5.845 1.00 0.00 C ATOM 592 NE ARG A 43 60.852 -9.633 -6.418 1.00 0.00 N ATOM 593 CZ ARG A 43 60.352 -10.596 -7.175 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.073 -10.674 -7.471 1.00 0.00 N ATOM 595 NH2 ARG A 43 61.159 -11.509 -7.641 1.00 0.00 N ATOM 0 H ARG A 43 63.272 -7.324 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 43 63.091 -5.989 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.560 -8.540 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.272 -8.162 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.387 -6.480 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.553 -7.147 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 43 59.488 -8.871 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.226 -8.232 -6.552 1.00 0.00 H new ATOM 0 HE ARG A 43 61.852 -9.634 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 43 58.423 -9.974 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 43 58.731 -11.434 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 43 62.154 -11.471 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 43 60.795 -12.261 -8.227 1.00 0.00 H new ATOM 609 N THR A 44 61.237 -4.528 -3.896 1.00 0.00 N ATOM 610 CA THR A 44 60.401 -3.445 -3.253 1.00 0.00 C ATOM 611 C THR A 44 59.186 -4.032 -2.516 1.00 0.00 C ATOM 612 O THR A 44 58.536 -4.938 -3.008 1.00 0.00 O ATOM 613 CB THR A 44 59.927 -2.551 -4.404 1.00 0.00 C ATOM 614 OG1 THR A 44 61.031 -2.233 -5.240 1.00 0.00 O ATOM 615 CG2 THR A 44 59.328 -1.262 -3.839 1.00 0.00 C ATOM 0 H THR A 44 61.402 -4.401 -4.895 1.00 0.00 H new ATOM 0 HA THR A 44 60.982 -2.897 -2.511 1.00 0.00 H new ATOM 0 HB THR A 44 59.169 -3.078 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.729 -1.663 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.991 -0.627 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.481 -1.505 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.084 -0.734 -3.258 1.00 0.00 H new ATOM 623 N GLY A 45 58.888 -3.513 -1.344 1.00 0.00 N ATOM 624 CA GLY A 45 57.693 -3.982 -0.574 1.00 0.00 C ATOM 625 C GLY A 45 58.093 -4.987 0.519 1.00 0.00 C ATOM 626 O GLY A 45 57.326 -5.224 1.436 1.00 0.00 O ATOM 0 H GLY A 45 59.428 -2.778 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.192 -3.127 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.978 -4.446 -1.254 1.00 0.00 H new ATOM 630 N ASP A 46 59.273 -5.577 0.437 1.00 0.00 N ATOM 631 CA ASP A 46 59.748 -6.494 1.533 1.00 0.00 C ATOM 632 C ASP A 46 59.941 -5.718 2.840 1.00 0.00 C ATOM 633 O ASP A 46 60.215 -4.531 2.826 1.00 0.00 O ATOM 634 CB ASP A 46 61.092 -7.062 1.062 1.00 0.00 C ATOM 635 CG ASP A 46 60.870 -8.045 -0.092 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.913 -8.801 -0.033 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.670 -8.028 -1.013 1.00 0.00 O ATOM 0 H ASP A 46 59.924 -5.462 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 46 59.021 -7.283 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.746 -6.252 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.593 -7.566 1.889 1.00 0.00 H new ATOM 642 N VAL A 47 59.801 -6.389 3.962 1.00 0.00 N ATOM 643 CA VAL A 47 60.018 -5.729 5.290 1.00 0.00 C ATOM 644 C VAL A 47 60.920 -6.621 6.155 1.00 0.00 C ATOM 645 O VAL A 47 60.717 -7.820 6.232 1.00 0.00 O ATOM 646 CB VAL A 47 58.616 -5.576 5.916 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.719 -4.884 7.282 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.721 -4.723 5.007 1.00 0.00 C ATOM 0 H VAL A 47 59.543 -7.375 4.013 1.00 0.00 H new ATOM 0 HA VAL A 47 60.508 -4.759 5.203 1.00 0.00 H new ATOM 0 HB VAL A 47 58.186 -6.571 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.724 -4.782 7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.343 -5.482 7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.164 -3.897 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.734 -4.622 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.166 -3.736 4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.627 -5.205 4.034 1.00 0.00 H new ATOM 658 N ILE A 48 61.908 -6.037 6.796 1.00 0.00 N ATOM 659 CA ILE A 48 62.833 -6.828 7.673 1.00 0.00 C ATOM 660 C ILE A 48 63.101 -6.073 8.980 1.00 0.00 C ATOM 661 O ILE A 48 63.021 -4.858 9.024 1.00 0.00 O ATOM 662 CB ILE A 48 64.132 -7.037 6.866 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.767 -5.693 6.456 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.823 -7.860 5.610 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.720 -5.207 7.553 1.00 0.00 C ATOM 0 H ILE A 48 62.114 -5.039 6.748 1.00 0.00 H new ATOM 0 HA ILE A 48 62.399 -7.789 7.950 1.00 0.00 H new ATOM 0 HB ILE A 48 64.843 -7.567 7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.309 -5.809 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.988 -4.950 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.739 -8.009 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.415 -8.828 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.095 -7.329 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.164 -4.257 7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.167 -5.073 8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.508 -5.945 7.703 1.00 0.00 H new ATOM 677 N GLY A 49 63.412 -6.791 10.036 1.00 0.00 N ATOM 678 CA GLY A 49 63.626 -6.150 11.371 1.00 0.00 C ATOM 679 C GLY A 49 65.109 -6.215 11.745 1.00 0.00 C ATOM 680 O GLY A 49 65.773 -7.204 11.489 1.00 0.00 O ATOM 0 H GLY A 49 63.527 -7.804 10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.293 -5.112 11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.028 -6.657 12.128 1.00 0.00 H new ATOM 684 N ILE A 50 65.623 -5.165 12.346 1.00 0.00 N ATOM 685 CA ILE A 50 67.032 -5.179 12.857 1.00 0.00 C ATOM 686 C ILE A 50 67.036 -4.746 14.331 1.00 0.00 C ATOM 687 O ILE A 50 66.414 -3.764 14.692 1.00 0.00 O ATOM 688 CB ILE A 50 67.808 -4.176 11.975 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.759 -4.620 10.505 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.277 -4.112 12.417 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.242 -3.480 9.606 1.00 0.00 C ATOM 0 H ILE A 50 65.121 -4.292 12.505 1.00 0.00 H new ATOM 0 HA ILE A 50 67.489 -6.167 12.807 1.00 0.00 H new ATOM 0 HB ILE A 50 67.346 -3.195 12.082 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.385 -5.501 10.360 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.742 -4.904 10.234 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.815 -3.402 11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.330 -3.790 13.457 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.730 -5.099 12.319 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.206 -3.798 8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.598 -2.611 9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.266 -3.217 9.870 1.00 0.00 H new ATOM 703 N SER A 51 67.727 -5.482 15.171 1.00 0.00 N ATOM 704 CA SER A 51 67.939 -5.037 16.587 1.00 0.00 C ATOM 705 C SER A 51 69.216 -4.197 16.687 1.00 0.00 C ATOM 706 O SER A 51 70.290 -4.657 16.340 1.00 0.00 O ATOM 707 CB SER A 51 68.084 -6.325 17.401 1.00 0.00 C ATOM 708 OG SER A 51 67.033 -7.219 17.059 1.00 0.00 O ATOM 0 H SER A 51 68.156 -6.377 14.935 1.00 0.00 H new ATOM 0 HA SER A 51 67.117 -4.421 16.950 1.00 0.00 H new ATOM 0 HB2 SER A 51 69.050 -6.788 17.201 1.00 0.00 H new ATOM 0 HB3 SER A 51 68.053 -6.100 18.467 1.00 0.00 H new ATOM 0 HG SER A 51 67.125 -8.045 17.578 1.00 0.00 H new ATOM 714 N ILE A 52 69.101 -2.975 17.158 1.00 0.00 N ATOM 715 CA ILE A 52 70.294 -2.070 17.258 1.00 0.00 C ATOM 716 C ILE A 52 70.378 -1.489 18.677 1.00 0.00 C ATOM 717 O ILE A 52 69.433 -0.902 19.171 1.00 0.00 O ATOM 718 CB ILE A 52 70.066 -0.959 16.211 1.00 0.00 C ATOM 719 CG1 ILE A 52 69.945 -1.569 14.806 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.245 0.022 16.214 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.390 -0.523 13.836 1.00 0.00 C ATOM 0 H ILE A 52 68.225 -2.563 17.480 1.00 0.00 H new ATOM 0 HA ILE A 52 71.232 -2.593 17.069 1.00 0.00 H new ATOM 0 HB ILE A 52 69.146 -0.435 16.468 1.00 0.00 H new ATOM 0 HG12 ILE A 52 70.920 -1.915 14.464 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.289 -2.439 14.832 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.072 0.801 15.471 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.338 0.476 17.201 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.164 -0.512 15.972 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.305 -0.959 12.840 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.406 -0.198 14.175 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.063 0.334 13.801 1.00 0.00 H new ATOM 733 N LEU A 53 71.514 -1.652 19.332 1.00 0.00 N ATOM 734 CA LEU A 53 71.763 -1.028 20.683 1.00 0.00 C ATOM 735 C LEU A 53 70.630 -1.339 21.677 1.00 0.00 C ATOM 736 O LEU A 53 70.314 -0.534 22.536 1.00 0.00 O ATOM 737 CB LEU A 53 71.861 0.484 20.433 1.00 0.00 C ATOM 738 CG LEU A 53 73.099 0.784 19.584 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.036 2.227 19.083 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.358 0.597 20.434 1.00 0.00 C ATOM 0 H LEU A 53 72.295 -2.204 18.978 1.00 0.00 H new ATOM 0 HA LEU A 53 72.672 -1.429 21.131 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.964 0.838 19.924 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.920 1.017 21.382 1.00 0.00 H new ATOM 0 HG LEU A 53 73.129 0.103 18.733 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.917 2.441 18.478 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.139 2.363 18.478 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.006 2.907 19.935 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.240 0.810 19.830 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.327 1.278 21.285 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.405 -0.431 20.794 1.00 0.00 H new ATOM 752 N GLY A 54 70.027 -2.500 21.554 1.00 0.00 N ATOM 753 CA GLY A 54 68.944 -2.909 22.503 1.00 0.00 C ATOM 754 C GLY A 54 67.622 -2.209 22.151 1.00 0.00 C ATOM 755 O GLY A 54 66.769 -2.047 23.007 1.00 0.00 O ATOM 0 H GLY A 54 70.242 -3.186 20.830 1.00 0.00 H new ATOM 0 HA2 GLY A 54 68.810 -3.990 22.466 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.234 -2.658 23.523 1.00 0.00 H new ATOM 759 N LYS A 55 67.445 -1.794 20.910 1.00 0.00 N ATOM 760 CA LYS A 55 66.163 -1.146 20.492 1.00 0.00 C ATOM 761 C LYS A 55 65.694 -1.730 19.157 1.00 0.00 C ATOM 762 O LYS A 55 66.443 -1.757 18.196 1.00 0.00 O ATOM 763 CB LYS A 55 66.500 0.338 20.342 1.00 0.00 C ATOM 764 CG LYS A 55 65.210 1.138 20.152 1.00 0.00 C ATOM 765 CD LYS A 55 65.552 2.570 19.733 1.00 0.00 C ATOM 766 CE LYS A 55 66.121 3.331 20.932 1.00 0.00 C ATOM 767 NZ LYS A 55 66.155 4.756 20.501 1.00 0.00 N ATOM 0 H LYS A 55 68.142 -1.880 20.170 1.00 0.00 H new ATOM 0 HA LYS A 55 65.360 -1.308 21.211 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.033 0.692 21.225 1.00 0.00 H new ATOM 0 HB3 LYS A 55 67.162 0.487 19.489 1.00 0.00 H new ATOM 0 HG2 LYS A 55 64.585 0.666 19.394 1.00 0.00 H new ATOM 0 HG3 LYS A 55 64.635 1.147 21.078 1.00 0.00 H new ATOM 0 HD2 LYS A 55 66.277 2.559 18.919 1.00 0.00 H new ATOM 0 HD3 LYS A 55 64.660 3.073 19.359 1.00 0.00 H new ATOM 0 HE2 LYS A 55 65.496 3.200 21.815 1.00 0.00 H new ATOM 0 HE3 LYS A 55 67.117 2.973 21.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 66.534 5.343 21.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 66.763 4.851 19.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 65.192 5.071 20.268 1.00 0.00 H new ATOM 781 N GLU A 56 64.466 -2.194 19.100 1.00 0.00 N ATOM 782 CA GLU A 56 63.948 -2.833 17.846 1.00 0.00 C ATOM 783 C GLU A 56 63.505 -1.761 16.845 1.00 0.00 C ATOM 784 O GLU A 56 62.729 -0.882 17.176 1.00 0.00 O ATOM 785 CB GLU A 56 62.748 -3.683 18.279 1.00 0.00 C ATOM 786 CG GLU A 56 62.415 -4.692 17.179 1.00 0.00 C ATOM 787 CD GLU A 56 61.138 -5.449 17.549 1.00 0.00 C ATOM 788 OE1 GLU A 56 61.149 -6.132 18.560 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.171 -5.332 16.816 1.00 0.00 O ATOM 0 H GLU A 56 63.799 -2.157 19.870 1.00 0.00 H new ATOM 0 HA GLU A 56 64.713 -3.435 17.356 1.00 0.00 H new ATOM 0 HB2 GLU A 56 62.975 -4.204 19.209 1.00 0.00 H new ATOM 0 HB3 GLU A 56 61.887 -3.044 18.474 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.282 -4.178 16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.241 -5.392 17.051 1.00 0.00 H new ATOM 796 N VAL A 57 63.999 -1.835 15.629 1.00 0.00 N ATOM 797 CA VAL A 57 63.546 -0.899 14.549 1.00 0.00 C ATOM 798 C VAL A 57 63.099 -1.704 13.317 1.00 0.00 C ATOM 799 O VAL A 57 63.776 -2.622 12.890 1.00 0.00 O ATOM 800 CB VAL A 57 64.763 0.005 14.246 1.00 0.00 C ATOM 801 CG1 VAL A 57 65.976 -0.826 13.810 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.418 1.005 13.134 1.00 0.00 C ATOM 0 H VAL A 57 64.704 -2.512 15.337 1.00 0.00 H new ATOM 0 HA VAL A 57 62.689 -0.295 14.846 1.00 0.00 H new ATOM 0 HB VAL A 57 65.012 0.540 15.162 1.00 0.00 H new ATOM 0 HG11 VAL A 57 66.816 -0.163 13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.248 -1.519 14.606 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.728 -1.388 12.909 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.283 1.636 12.930 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.143 0.463 12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.582 1.628 13.452 1.00 0.00 H new ATOM 812 N LYS A 58 61.959 -1.356 12.760 1.00 0.00 N ATOM 813 CA LYS A 58 61.485 -2.013 11.501 1.00 0.00 C ATOM 814 C LYS A 58 61.882 -1.171 10.284 1.00 0.00 C ATOM 815 O LYS A 58 61.724 0.037 10.284 1.00 0.00 O ATOM 816 CB LYS A 58 59.961 -2.076 11.631 1.00 0.00 C ATOM 817 CG LYS A 58 59.583 -3.050 12.748 1.00 0.00 C ATOM 818 CD LYS A 58 58.084 -3.353 12.679 1.00 0.00 C ATOM 819 CE LYS A 58 57.292 -2.132 13.154 1.00 0.00 C ATOM 820 NZ LYS A 58 57.268 -2.247 14.639 1.00 0.00 N ATOM 0 H LYS A 58 61.334 -0.639 13.129 1.00 0.00 H new ATOM 0 HA LYS A 58 61.923 -3.002 11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.563 -1.085 11.848 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.518 -2.398 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.156 -3.972 12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 58 59.833 -2.621 13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.801 -3.608 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.848 -4.217 13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.768 -1.204 12.837 1.00 0.00 H new ATOM 0 HE3 LYS A 58 56.283 -2.130 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.304 -2.477 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 57.919 -3.000 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.564 -1.344 15.062 1.00 0.00 H new ATOM 834 N PHE A 59 62.390 -1.809 9.253 1.00 0.00 N ATOM 835 CA PHE A 59 62.792 -1.076 8.012 1.00 0.00 C ATOM 836 C PHE A 59 62.001 -1.597 6.810 1.00 0.00 C ATOM 837 O PHE A 59 61.904 -2.794 6.602 1.00 0.00 O ATOM 838 CB PHE A 59 64.281 -1.376 7.837 1.00 0.00 C ATOM 839 CG PHE A 59 65.179 -0.520 8.698 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.420 0.844 8.345 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.797 -1.076 9.861 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.276 1.652 9.157 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.653 -0.269 10.671 1.00 0.00 C ATOM 844 CZ PHE A 59 66.893 1.094 10.320 1.00 0.00 C ATOM 0 H PHE A 59 62.544 -2.817 9.221 1.00 0.00 H new ATOM 0 HA PHE A 59 62.596 -0.006 8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.461 -2.425 8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.551 -1.232 6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.956 1.264 7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.617 -2.107 10.127 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.456 2.683 8.892 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.119 -0.690 11.550 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.541 1.704 10.933 1.00 0.00 H new ATOM 854 N LYS A 60 61.440 -0.702 6.026 1.00 0.00 N ATOM 855 CA LYS A 60 60.711 -1.114 4.788 1.00 0.00 C ATOM 856 C LYS A 60 61.558 -0.814 3.549 1.00 0.00 C ATOM 857 O LYS A 60 62.191 0.225 3.467 1.00 0.00 O ATOM 858 CB LYS A 60 59.436 -0.269 4.781 1.00 0.00 C ATOM 859 CG LYS A 60 58.488 -0.785 3.695 1.00 0.00 C ATOM 860 CD LYS A 60 57.236 0.091 3.651 1.00 0.00 C ATOM 861 CE LYS A 60 56.233 -0.504 2.660 1.00 0.00 C ATOM 862 NZ LYS A 60 55.370 0.640 2.255 1.00 0.00 N ATOM 0 H LYS A 60 61.459 0.304 6.196 1.00 0.00 H new ATOM 0 HA LYS A 60 60.494 -2.182 4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.950 -0.317 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.681 0.777 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.987 -0.773 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.213 -1.820 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.789 0.155 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.499 1.106 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.740 -0.941 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.646 -1.298 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.655 0.312 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.896 1.031 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.956 1.377 1.813 1.00 0.00 H new ATOM 876 N VAL A 61 61.568 -1.716 2.593 1.00 0.00 N ATOM 877 CA VAL A 61 62.308 -1.471 1.309 1.00 0.00 C ATOM 878 C VAL A 61 61.453 -0.574 0.406 1.00 0.00 C ATOM 879 O VAL A 61 60.400 -0.977 -0.053 1.00 0.00 O ATOM 880 CB VAL A 61 62.528 -2.857 0.666 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.317 -2.714 -0.641 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.323 -3.760 1.616 1.00 0.00 C ATOM 0 H VAL A 61 61.093 -2.617 2.647 1.00 0.00 H new ATOM 0 HA VAL A 61 63.263 -0.970 1.468 1.00 0.00 H new ATOM 0 HB VAL A 61 61.552 -3.298 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.466 -3.698 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.761 -2.083 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.286 -2.259 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.472 -4.735 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.292 -3.306 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.771 -3.883 2.548 1.00 0.00 H new ATOM 892 N VAL A 62 61.913 0.630 0.153 1.00 0.00 N ATOM 893 CA VAL A 62 61.073 1.635 -0.577 1.00 0.00 C ATOM 894 C VAL A 62 61.122 1.331 -2.079 1.00 0.00 C ATOM 895 O VAL A 62 60.107 1.369 -2.754 1.00 0.00 O ATOM 896 CB VAL A 62 61.687 3.018 -0.270 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.870 4.124 -0.949 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.688 3.273 1.242 1.00 0.00 C ATOM 0 H VAL A 62 62.839 0.961 0.422 1.00 0.00 H new ATOM 0 HA VAL A 62 60.028 1.606 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 62 62.709 3.027 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.314 5.094 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.870 3.966 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.845 4.099 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 62 62.123 4.251 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.665 3.246 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 62 62.277 2.503 1.740 1.00 0.00 H new ATOM 908 N GLN A 63 62.295 1.031 -2.593 1.00 0.00 N ATOM 909 CA GLN A 63 62.442 0.753 -4.058 1.00 0.00 C ATOM 910 C GLN A 63 63.778 0.062 -4.343 1.00 0.00 C ATOM 911 O GLN A 63 64.818 0.501 -3.882 1.00 0.00 O ATOM 912 CB GLN A 63 62.398 2.124 -4.736 1.00 0.00 C ATOM 913 CG GLN A 63 62.093 1.948 -6.225 1.00 0.00 C ATOM 914 CD GLN A 63 60.605 1.643 -6.415 1.00 0.00 C ATOM 915 OE1 GLN A 63 59.767 2.178 -5.715 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.237 0.801 -7.341 1.00 0.00 N ATOM 0 H GLN A 63 63.160 0.967 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 63 61.658 0.090 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.636 2.748 -4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.352 2.636 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.361 2.853 -6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.695 1.138 -6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.938 0.351 -7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.248 0.593 -7.477 1.00 0.00 H new ATOM 925 N ALA A 64 63.745 -1.015 -5.095 1.00 0.00 N ATOM 926 CA ALA A 64 65.005 -1.656 -5.579 1.00 0.00 C ATOM 927 C ALA A 64 65.252 -1.283 -7.044 1.00 0.00 C ATOM 928 O ALA A 64 64.349 -1.334 -7.859 1.00 0.00 O ATOM 929 CB ALA A 64 64.762 -3.160 -5.443 1.00 0.00 C ATOM 0 H ALA A 64 62.888 -1.479 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 64 65.879 -1.333 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.645 -3.703 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.562 -3.403 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.905 -3.447 -6.053 1.00 0.00 H new ATOM 935 N TYR A 65 66.467 -0.905 -7.373 1.00 0.00 N ATOM 936 CA TYR A 65 66.801 -0.529 -8.783 1.00 0.00 C ATOM 937 C TYR A 65 68.057 -1.293 -9.255 1.00 0.00 C ATOM 938 O TYR A 65 69.110 -1.085 -8.688 1.00 0.00 O ATOM 939 CB TYR A 65 67.091 0.973 -8.724 1.00 0.00 C ATOM 940 CG TYR A 65 65.854 1.835 -8.835 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.930 1.630 -9.908 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.609 2.858 -7.867 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.763 2.447 -10.011 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.441 3.675 -7.971 1.00 0.00 C ATOM 945 CZ TYR A 65 63.518 3.469 -9.043 1.00 0.00 C ATOM 946 OH TYR A 65 62.390 4.259 -9.142 1.00 0.00 O ATOM 0 H TYR A 65 67.246 -0.841 -6.718 1.00 0.00 H new ATOM 0 HA TYR A 65 65.997 -0.771 -9.478 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.598 1.200 -7.786 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.778 1.233 -9.529 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.115 0.858 -10.640 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.306 3.013 -7.057 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.065 2.292 -10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.256 4.448 -7.240 1.00 0.00 H new ATOM 0 HH TYR A 65 62.376 4.903 -8.403 1.00 0.00 H new ATOM 956 N PRO A 66 67.959 -2.156 -10.261 1.00 0.00 N ATOM 957 CA PRO A 66 66.667 -2.715 -10.785 1.00 0.00 C ATOM 958 C PRO A 66 66.093 -3.732 -9.794 1.00 0.00 C ATOM 959 O PRO A 66 66.796 -4.206 -8.922 1.00 0.00 O ATOM 960 CB PRO A 66 67.081 -3.404 -12.084 1.00 0.00 C ATOM 961 CG PRO A 66 68.505 -3.781 -11.864 1.00 0.00 C ATOM 962 CD PRO A 66 69.104 -2.698 -11.010 1.00 0.00 C ATOM 0 HA PRO A 66 65.897 -1.958 -10.933 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.464 -4.280 -12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.974 -2.737 -12.939 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.578 -4.750 -11.370 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.035 -3.866 -12.813 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.867 -3.095 -10.340 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.582 -1.930 -11.618 1.00 0.00 H new ATOM 970 N SER A 67 64.829 -4.064 -9.927 1.00 0.00 N ATOM 971 CA SER A 67 64.207 -5.074 -9.015 1.00 0.00 C ATOM 972 C SER A 67 64.087 -6.433 -9.739 1.00 0.00 C ATOM 973 O SER A 67 63.812 -6.447 -10.922 1.00 0.00 O ATOM 974 CB SER A 67 62.819 -4.518 -8.698 1.00 0.00 C ATOM 975 OG SER A 67 62.938 -3.451 -7.769 1.00 0.00 O ATOM 0 H SER A 67 64.201 -3.676 -10.631 1.00 0.00 H new ATOM 0 HA SER A 67 64.797 -5.238 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.339 -4.167 -9.611 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.186 -5.304 -8.286 1.00 0.00 H new ATOM 0 HG SER A 67 63.430 -2.711 -8.182 1.00 0.00 H new ATOM 981 N PRO A 68 64.285 -7.548 -9.045 1.00 0.00 N ATOM 982 CA PRO A 68 65.067 -7.619 -7.765 1.00 0.00 C ATOM 983 C PRO A 68 66.566 -7.439 -8.036 1.00 0.00 C ATOM 984 O PRO A 68 67.015 -7.571 -9.161 1.00 0.00 O ATOM 985 CB PRO A 68 64.777 -9.027 -7.249 1.00 0.00 C ATOM 986 CG PRO A 68 64.472 -9.814 -8.477 1.00 0.00 C ATOM 987 CD PRO A 68 63.773 -8.876 -9.420 1.00 0.00 C ATOM 0 HA PRO A 68 64.793 -6.840 -7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.633 -9.439 -6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.936 -9.031 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.386 -10.205 -8.925 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.840 -10.671 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.000 -9.112 -10.460 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.690 -8.932 -9.309 1.00 0.00 H new ATOM 995 N LEU A 69 67.331 -7.136 -7.010 1.00 0.00 N ATOM 996 CA LEU A 69 68.823 -7.093 -7.144 1.00 0.00 C ATOM 997 C LEU A 69 69.487 -7.643 -5.875 1.00 0.00 C ATOM 998 O LEU A 69 68.895 -7.635 -4.812 1.00 0.00 O ATOM 999 CB LEU A 69 69.187 -5.614 -7.376 1.00 0.00 C ATOM 1000 CG LEU A 69 68.739 -4.731 -6.193 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.851 -4.686 -5.134 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.441 -3.305 -6.687 1.00 0.00 C ATOM 0 H LEU A 69 66.980 -6.915 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 69 69.175 -7.711 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.264 -5.520 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.716 -5.262 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 69 67.835 -5.154 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.533 -4.062 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.054 -5.695 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.756 -4.269 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.125 -2.687 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.340 -2.879 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.646 -3.337 -7.432 1.00 0.00 H new ATOM 1014 N ARG A 70 70.706 -8.121 -5.992 1.00 0.00 N ATOM 1015 CA ARG A 70 71.495 -8.507 -4.780 1.00 0.00 C ATOM 1016 C ARG A 70 72.332 -7.317 -4.302 1.00 0.00 C ATOM 1017 O ARG A 70 72.852 -6.560 -5.102 1.00 0.00 O ATOM 1018 CB ARG A 70 72.402 -9.660 -5.227 1.00 0.00 C ATOM 1019 CG ARG A 70 71.694 -10.997 -4.997 1.00 0.00 C ATOM 1020 CD ARG A 70 72.344 -12.078 -5.867 1.00 0.00 C ATOM 1021 NE ARG A 70 73.672 -12.370 -5.228 1.00 0.00 N ATOM 1022 CZ ARG A 70 74.676 -12.913 -5.899 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.581 -13.251 -7.166 1.00 0.00 N ATOM 1024 NH2 ARG A 70 75.801 -13.128 -5.275 1.00 0.00 N ATOM 0 H ARG A 70 71.188 -8.260 -6.880 1.00 0.00 H new ATOM 0 HA ARG A 70 70.853 -8.805 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.654 -9.548 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.339 -9.634 -4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.755 -11.277 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.636 -10.907 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 70 71.724 -12.973 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.471 -11.731 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 70 73.805 -12.142 -4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.708 -13.097 -7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 70 75.380 -13.667 -7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 70 75.894 -12.879 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 70 76.588 -13.545 -5.772 1.00 0.00 H new ATOM 1038 N VAL A 71 72.454 -7.158 -3.003 1.00 0.00 N ATOM 1039 CA VAL A 71 73.215 -5.991 -2.440 1.00 0.00 C ATOM 1040 C VAL A 71 74.719 -6.280 -2.528 1.00 0.00 C ATOM 1041 O VAL A 71 75.174 -7.337 -2.127 1.00 0.00 O ATOM 1042 CB VAL A 71 72.759 -5.848 -0.972 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.462 -4.655 -0.312 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.245 -5.613 -0.912 1.00 0.00 C ATOM 0 H VAL A 71 72.058 -7.788 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 71 73.026 -5.068 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 71 73.015 -6.767 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.132 -4.565 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.541 -4.809 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.214 -3.742 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.933 -5.513 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.997 -4.701 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.727 -6.458 -1.367 1.00 0.00 H new ATOM 1054 N GLU A 72 75.481 -5.344 -3.052 1.00 0.00 N ATOM 1055 CA GLU A 72 76.957 -5.535 -3.189 1.00 0.00 C ATOM 1056 C GLU A 72 77.699 -4.311 -2.643 1.00 0.00 C ATOM 1057 O GLU A 72 77.106 -3.267 -2.434 1.00 0.00 O ATOM 1058 CB GLU A 72 77.194 -5.684 -4.693 1.00 0.00 C ATOM 1059 CG GLU A 72 78.637 -6.130 -4.946 1.00 0.00 C ATOM 1060 CD GLU A 72 78.844 -6.365 -6.444 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.417 -5.526 -7.220 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.427 -7.379 -6.789 1.00 0.00 O ATOM 0 H GLU A 72 75.135 -4.447 -3.393 1.00 0.00 H new ATOM 0 HA GLU A 72 77.320 -6.399 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.499 -6.413 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.002 -4.737 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.332 -5.371 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.849 -7.044 -4.391 1.00 0.00 H new ATOM 1069 N ASP A 73 78.989 -4.438 -2.413 1.00 0.00 N ATOM 1070 CA ASP A 73 79.810 -3.275 -1.916 1.00 0.00 C ATOM 1071 C ASP A 73 79.763 -2.101 -2.907 1.00 0.00 C ATOM 1072 O ASP A 73 79.882 -0.954 -2.515 1.00 0.00 O ATOM 1073 CB ASP A 73 81.246 -3.797 -1.790 1.00 0.00 C ATOM 1074 CG ASP A 73 81.325 -4.802 -0.640 1.00 0.00 C ATOM 1075 OD1 ASP A 73 80.789 -4.509 0.416 1.00 0.00 O ATOM 1076 OD2 ASP A 73 81.923 -5.848 -0.833 1.00 0.00 O ATOM 0 H ASP A 73 79.514 -5.302 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 73 79.425 -2.904 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.555 -4.270 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.931 -2.968 -1.610 1.00 0.00 H new ATOM 1081 N ARG A 74 79.592 -2.390 -4.179 1.00 0.00 N ATOM 1082 CA ARG A 74 79.482 -1.301 -5.207 1.00 0.00 C ATOM 1083 C ARG A 74 78.058 -0.726 -5.263 1.00 0.00 C ATOM 1084 O ARG A 74 77.863 0.378 -5.741 1.00 0.00 O ATOM 1085 CB ARG A 74 79.841 -1.957 -6.544 1.00 0.00 C ATOM 1086 CG ARG A 74 81.313 -2.376 -6.534 1.00 0.00 C ATOM 1087 CD ARG A 74 82.199 -1.143 -6.747 1.00 0.00 C ATOM 1088 NE ARG A 74 81.918 -0.677 -8.148 1.00 0.00 N ATOM 1089 CZ ARG A 74 82.146 0.566 -8.538 1.00 0.00 C ATOM 1090 NH1 ARG A 74 82.650 1.481 -7.737 1.00 0.00 N ATOM 1091 NH2 ARG A 74 81.866 0.897 -9.769 1.00 0.00 N ATOM 0 H ARG A 74 79.524 -3.338 -4.550 1.00 0.00 H new ATOM 0 HA ARG A 74 80.143 -0.468 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.207 -2.827 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.656 -1.261 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.559 -2.854 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.498 -3.110 -7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.966 -0.364 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 74 83.253 -1.392 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 74 81.538 -1.342 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.881 1.243 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 74 82.809 2.428 -8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 74 81.479 0.203 -10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 74 82.034 1.850 -10.092 1.00 0.00 H new ATOM 1105 N THR A 75 77.071 -1.458 -4.782 1.00 0.00 N ATOM 1106 CA THR A 75 75.663 -0.932 -4.772 1.00 0.00 C ATOM 1107 C THR A 75 75.540 0.228 -3.780 1.00 0.00 C ATOM 1108 O THR A 75 75.966 0.123 -2.643 1.00 0.00 O ATOM 1109 CB THR A 75 74.776 -2.105 -4.334 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.087 -3.249 -5.116 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.304 -1.737 -4.529 1.00 0.00 C ATOM 0 H THR A 75 77.182 -2.396 -4.397 1.00 0.00 H new ATOM 0 HA THR A 75 75.369 -0.555 -5.751 1.00 0.00 H new ATOM 0 HB THR A 75 74.956 -2.323 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.794 -3.103 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.676 -2.572 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.066 -0.859 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.120 -1.518 -5.581 1.00 0.00 H new ATOM 1119 N LYS A 76 74.962 1.328 -4.211 1.00 0.00 N ATOM 1120 CA LYS A 76 74.806 2.519 -3.313 1.00 0.00 C ATOM 1121 C LYS A 76 73.497 2.416 -2.527 1.00 0.00 C ATOM 1122 O LYS A 76 72.490 1.980 -3.054 1.00 0.00 O ATOM 1123 CB LYS A 76 74.769 3.734 -4.249 1.00 0.00 C ATOM 1124 CG LYS A 76 76.125 3.892 -4.942 1.00 0.00 C ATOM 1125 CD LYS A 76 76.080 5.096 -5.883 1.00 0.00 C ATOM 1126 CE LYS A 76 77.268 5.037 -6.844 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.458 6.440 -7.308 1.00 0.00 N ATOM 0 H LYS A 76 74.590 1.451 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 76 75.616 2.592 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.982 3.609 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.532 4.635 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.911 4.027 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.367 2.988 -5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.145 5.098 -6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.109 6.022 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.161 4.662 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.066 4.368 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.257 6.481 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.594 6.768 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.655 7.052 -6.491 1.00 0.00 H new ATOM 1141 N ILE A 77 73.508 2.813 -1.274 1.00 0.00 N ATOM 1142 CA ILE A 77 72.264 2.752 -0.436 1.00 0.00 C ATOM 1143 C ILE A 77 71.988 4.135 0.169 1.00 0.00 C ATOM 1144 O ILE A 77 72.893 4.807 0.632 1.00 0.00 O ATOM 1145 CB ILE A 77 72.550 1.699 0.655 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.819 0.335 0.003 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.340 1.561 1.592 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.417 -0.623 1.035 1.00 0.00 C ATOM 0 H ILE A 77 74.330 3.179 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 77 71.380 2.477 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 77 73.421 2.022 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.892 -0.077 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.503 0.452 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.555 0.815 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 77 71.137 2.520 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.468 1.250 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.606 -1.589 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.354 -0.213 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.718 -0.750 1.861 1.00 0.00 H new ATOM 1160 N THR A 78 70.740 4.550 0.163 1.00 0.00 N ATOM 1161 CA THR A 78 70.376 5.907 0.676 1.00 0.00 C ATOM 1162 C THR A 78 69.217 5.809 1.672 1.00 0.00 C ATOM 1163 O THR A 78 68.284 5.050 1.472 1.00 0.00 O ATOM 1164 CB THR A 78 69.946 6.695 -0.563 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.926 6.549 -1.580 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.798 8.174 -0.204 1.00 0.00 C ATOM 0 H THR A 78 69.953 3.999 -0.179 1.00 0.00 H new ATOM 0 HA THR A 78 71.205 6.383 1.200 1.00 0.00 H new ATOM 0 HB THR A 78 68.990 6.313 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.650 7.052 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.492 8.734 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 78 69.044 8.286 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.752 8.558 0.156 1.00 0.00 H new ATOM 1174 N LEU A 79 69.277 6.575 2.739 1.00 0.00 N ATOM 1175 CA LEU A 79 68.168 6.590 3.742 1.00 0.00 C ATOM 1176 C LEU A 79 67.270 7.810 3.519 1.00 0.00 C ATOM 1177 O LEU A 79 67.753 8.922 3.386 1.00 0.00 O ATOM 1178 CB LEU A 79 68.863 6.680 5.102 1.00 0.00 C ATOM 1179 CG LEU A 79 69.632 5.384 5.374 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.565 5.585 6.569 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.642 4.260 5.686 1.00 0.00 C ATOM 0 H LEU A 79 70.057 7.196 2.957 1.00 0.00 H new ATOM 0 HA LEU A 79 67.532 5.708 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.546 7.530 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 79 68.126 6.849 5.887 1.00 0.00 H new ATOM 0 HG LEU A 79 70.219 5.119 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 79 71.112 4.662 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.271 6.386 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.978 5.850 7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.189 3.337 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.055 4.526 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.976 4.115 4.835 1.00 0.00 H new ATOM 1193 N VAL A 80 65.973 7.603 3.477 1.00 0.00 N ATOM 1194 CA VAL A 80 65.015 8.742 3.295 1.00 0.00 C ATOM 1195 C VAL A 80 64.563 9.251 4.671 1.00 0.00 C ATOM 1196 O VAL A 80 64.312 8.470 5.573 1.00 0.00 O ATOM 1197 CB VAL A 80 63.828 8.164 2.497 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.765 9.247 2.260 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.313 7.652 1.134 1.00 0.00 C ATOM 0 H VAL A 80 65.534 6.686 3.562 1.00 0.00 H new ATOM 0 HA VAL A 80 65.462 9.586 2.769 1.00 0.00 H new ATOM 0 HB VAL A 80 63.396 7.345 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.934 8.824 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.402 9.616 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.204 10.071 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.469 7.245 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.756 8.475 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.059 6.871 1.283 1.00 0.00 H new