USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 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 63 GLN :FLIP amide:sc= -1.93 F(o=-3.7,f=-0.72) USER MOD Set 1.2: A 65 TYR OH : rot 94:sc= 1.21 USER MOD Set 2.1: A 13 SER OG : rot -30:sc= -1.74! USER MOD Set 2.2: A 75 THR OG1 : rot -78:sc= -0.274 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0816) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -0.0639 (180deg=-0.311) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00921) USER MOD Single : A 38 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.0076) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= -0.0453 (180deg=-0.225) USER MOD Single : A 58 LYS NZ :NH3+ -126:sc= 0.0509 (180deg=-0.092) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 54:sc= 0.247 USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.248) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.978 -0.099 -9.330 1.00 0.00 N ATOM 76 CA SER A 13 72.684 -0.492 -8.691 1.00 0.00 C ATOM 77 C SER A 13 72.498 0.260 -7.371 1.00 0.00 C ATOM 78 O SER A 13 73.458 0.725 -6.779 1.00 0.00 O ATOM 79 CB SER A 13 72.806 -1.994 -8.439 1.00 0.00 C ATOM 80 OG SER A 13 73.842 -2.230 -7.495 1.00 0.00 O ATOM 0 HA SER A 13 71.825 -0.253 -9.317 1.00 0.00 H new ATOM 0 HB2 SER A 13 71.861 -2.390 -8.066 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.023 -2.514 -9.372 1.00 0.00 H new ATOM 0 HG SER A 13 74.524 -1.531 -7.576 1.00 0.00 H new ATOM 86 N GLU A 14 71.273 0.377 -6.912 1.00 0.00 N ATOM 87 CA GLU A 14 70.986 1.175 -5.679 1.00 0.00 C ATOM 88 C GLU A 14 69.740 0.640 -4.968 1.00 0.00 C ATOM 89 O GLU A 14 68.844 0.103 -5.595 1.00 0.00 O ATOM 90 CB GLU A 14 70.745 2.599 -6.181 1.00 0.00 C ATOM 91 CG GLU A 14 70.688 3.561 -4.991 1.00 0.00 C ATOM 92 CD GLU A 14 70.311 4.961 -5.480 1.00 0.00 C ATOM 93 OE1 GLU A 14 69.398 5.062 -6.284 1.00 0.00 O ATOM 94 OE2 GLU A 14 70.941 5.909 -5.041 1.00 0.00 O ATOM 0 H GLU A 14 70.454 -0.051 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 14 71.802 1.124 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.542 2.895 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.812 2.644 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.957 3.211 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.654 3.589 -4.486 1.00 0.00 H new ATOM 101 N LEU A 15 69.689 0.786 -3.661 1.00 0.00 N ATOM 102 CA LEU A 15 68.457 0.430 -2.892 1.00 0.00 C ATOM 103 C LEU A 15 68.036 1.602 -2.000 1.00 0.00 C ATOM 104 O LEU A 15 68.845 2.154 -1.272 1.00 0.00 O ATOM 105 CB LEU A 15 68.858 -0.777 -2.041 1.00 0.00 C ATOM 106 CG LEU A 15 67.613 -1.379 -1.386 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.787 -2.117 -2.442 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.037 -2.362 -0.294 1.00 0.00 C ATOM 0 H LEU A 15 70.458 1.140 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 15 67.612 0.206 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.352 -1.524 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.573 -0.474 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 15 67.013 -0.582 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.900 -2.546 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.485 -1.418 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.387 -2.914 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.151 -2.791 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.637 -3.158 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.626 -1.838 0.459 1.00 0.00 H new ATOM 120 N LYS A 16 66.779 1.982 -2.060 1.00 0.00 N ATOM 121 CA LYS A 16 66.259 3.058 -1.161 1.00 0.00 C ATOM 122 C LYS A 16 65.419 2.451 -0.034 1.00 0.00 C ATOM 123 O LYS A 16 64.540 1.642 -0.276 1.00 0.00 O ATOM 124 CB LYS A 16 65.391 3.948 -2.054 1.00 0.00 C ATOM 125 CG LYS A 16 66.264 5.013 -2.736 1.00 0.00 C ATOM 126 CD LYS A 16 65.441 6.282 -2.969 1.00 0.00 C ATOM 127 CE LYS A 16 66.258 7.276 -3.797 1.00 0.00 C ATOM 128 NZ LYS A 16 65.685 8.611 -3.471 1.00 0.00 N ATOM 0 H LYS A 16 66.088 1.588 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 16 67.066 3.620 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.887 3.342 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.614 4.428 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.131 5.239 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.642 4.634 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.514 6.037 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.164 6.729 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.316 7.227 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.178 7.062 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.194 9.346 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.678 8.630 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.781 8.791 -2.451 1.00 0.00 H new ATOM 142 N LEU A 17 65.689 2.850 1.189 1.00 0.00 N ATOM 143 CA LEU A 17 65.011 2.231 2.371 1.00 0.00 C ATOM 144 C LEU A 17 64.397 3.316 3.260 1.00 0.00 C ATOM 145 O LEU A 17 64.865 4.441 3.284 1.00 0.00 O ATOM 146 CB LEU A 17 66.122 1.497 3.125 1.00 0.00 C ATOM 147 CG LEU A 17 66.618 0.314 2.290 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.032 -0.067 2.733 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.682 -0.881 2.492 1.00 0.00 C ATOM 0 H LEU A 17 66.357 3.586 1.418 1.00 0.00 H new ATOM 0 HA LEU A 17 64.202 1.563 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.946 2.179 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.750 1.145 4.087 1.00 0.00 H new ATOM 0 HG LEU A 17 66.630 0.593 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.385 -0.909 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.699 0.783 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.020 -0.346 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.035 -1.724 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.670 -1.160 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.674 -0.611 2.177 1.00 0.00 H new ATOM 161 N LYS A 18 63.351 2.979 3.983 1.00 0.00 N ATOM 162 CA LYS A 18 62.747 3.941 4.957 1.00 0.00 C ATOM 163 C LYS A 18 62.552 3.255 6.324 1.00 0.00 C ATOM 164 O LYS A 18 61.973 2.185 6.369 1.00 0.00 O ATOM 165 CB LYS A 18 61.391 4.311 4.351 1.00 0.00 C ATOM 166 CG LYS A 18 60.774 5.465 5.143 1.00 0.00 C ATOM 167 CD LYS A 18 59.659 6.111 4.317 1.00 0.00 C ATOM 168 CE LYS A 18 58.710 6.870 5.248 1.00 0.00 C ATOM 169 NZ LYS A 18 59.470 8.080 5.668 1.00 0.00 N ATOM 0 H LYS A 18 62.889 2.071 3.937 1.00 0.00 H new ATOM 0 HA LYS A 18 63.376 4.816 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.514 4.598 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.726 3.448 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.375 5.099 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.538 6.204 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 18 60.085 6.792 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 18 59.111 5.347 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 18 57.787 7.142 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.430 6.261 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 58.823 8.756 6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 60.214 7.806 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 59.904 8.524 4.834 1.00 0.00 H new ATOM 183 N PRO A 19 63.030 3.871 7.402 1.00 0.00 N ATOM 184 CA PRO A 19 62.742 3.335 8.762 1.00 0.00 C ATOM 185 C PRO A 19 61.309 3.684 9.176 1.00 0.00 C ATOM 186 O PRO A 19 60.838 4.778 8.916 1.00 0.00 O ATOM 187 CB PRO A 19 63.755 4.046 9.654 1.00 0.00 C ATOM 188 CG PRO A 19 64.058 5.327 8.950 1.00 0.00 C ATOM 189 CD PRO A 19 63.873 5.083 7.476 1.00 0.00 C ATOM 0 HA PRO A 19 62.822 2.250 8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.346 4.229 10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.655 3.445 9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.395 6.121 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 19 65.078 5.650 9.161 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.391 5.932 6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.830 4.932 6.976 1.00 0.00 H new ATOM 197 N LEU A 20 60.625 2.763 9.815 1.00 0.00 N ATOM 198 CA LEU A 20 59.234 3.043 10.310 1.00 0.00 C ATOM 199 C LEU A 20 59.201 3.961 11.570 1.00 0.00 C ATOM 200 O LEU A 20 58.433 4.908 11.539 1.00 0.00 O ATOM 201 CB LEU A 20 58.561 1.679 10.543 1.00 0.00 C ATOM 202 CG LEU A 20 58.389 0.956 9.205 1.00 0.00 C ATOM 203 CD1 LEU A 20 57.998 -0.501 9.457 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.291 1.643 8.389 1.00 0.00 C ATOM 0 H LEU A 20 60.971 1.825 10.017 1.00 0.00 H new ATOM 0 HA LEU A 20 58.682 3.615 9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.166 1.075 11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.591 1.818 11.020 1.00 0.00 H new ATOM 0 HG LEU A 20 59.328 0.990 8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 20 57.876 -1.015 8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 20 58.779 -0.992 10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.060 -0.535 10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.169 1.128 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.352 1.610 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.569 2.681 8.207 1.00 0.00 H new ATOM 216 N PRO A 21 59.980 3.719 12.645 1.00 0.00 N ATOM 217 CA PRO A 21 60.109 4.771 13.700 1.00 0.00 C ATOM 218 C PRO A 21 60.905 5.964 13.158 1.00 0.00 C ATOM 219 O PRO A 21 61.768 5.801 12.313 1.00 0.00 O ATOM 220 CB PRO A 21 60.866 4.083 14.836 1.00 0.00 C ATOM 221 CG PRO A 21 61.606 2.968 14.183 1.00 0.00 C ATOM 222 CD PRO A 21 60.769 2.519 13.020 1.00 0.00 C ATOM 0 HA PRO A 21 59.145 5.161 14.028 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.549 4.774 15.331 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.182 3.710 15.598 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.589 3.299 13.848 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.768 2.148 14.883 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.390 2.178 12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.120 1.687 13.295 1.00 0.00 H new ATOM 230 N LYS A 22 60.616 7.152 13.641 1.00 0.00 N ATOM 231 CA LYS A 22 61.345 8.372 13.160 1.00 0.00 C ATOM 232 C LYS A 22 62.713 8.489 13.849 1.00 0.00 C ATOM 233 O LYS A 22 62.799 8.747 15.037 1.00 0.00 O ATOM 234 CB LYS A 22 60.511 9.632 13.401 1.00 0.00 C ATOM 235 CG LYS A 22 59.063 9.513 12.959 1.00 0.00 C ATOM 236 CD LYS A 22 58.269 10.755 13.328 1.00 0.00 C ATOM 237 CE LYS A 22 56.808 10.613 12.936 1.00 0.00 C ATOM 238 NZ LYS A 22 56.646 10.336 11.481 1.00 0.00 N ATOM 0 H LYS A 22 59.904 7.329 14.350 1.00 0.00 H new ATOM 0 HA LYS A 22 61.508 8.272 12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.536 9.873 14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.973 10.467 12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.021 9.359 11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.609 8.638 13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.344 10.932 14.401 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.698 11.625 12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.355 9.806 13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.273 11.527 13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.649 10.463 11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.239 10.993 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.937 9.358 11.279 1.00 0.00 H new ATOM 252 N VAL A 23 63.777 8.292 13.101 1.00 0.00 N ATOM 253 CA VAL A 23 65.155 8.396 13.677 1.00 0.00 C ATOM 254 C VAL A 23 66.136 8.923 12.616 1.00 0.00 C ATOM 255 O VAL A 23 66.027 8.591 11.448 1.00 0.00 O ATOM 256 CB VAL A 23 65.506 6.965 14.138 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.529 5.989 12.953 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.877 6.962 14.824 1.00 0.00 C ATOM 0 H VAL A 23 63.746 8.062 12.108 1.00 0.00 H new ATOM 0 HA VAL A 23 65.214 9.097 14.509 1.00 0.00 H new ATOM 0 HB VAL A 23 64.738 6.639 14.840 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.779 4.990 13.309 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.548 5.970 12.478 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.276 6.313 12.229 1.00 0.00 H new ATOM 0 HG21 VAL A 23 67.120 5.950 15.147 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.635 7.311 14.123 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.852 7.623 15.690 1.00 0.00 H new ATOM 268 N GLU A 24 67.082 9.738 13.026 1.00 0.00 N ATOM 269 CA GLU A 24 68.140 10.226 12.086 1.00 0.00 C ATOM 270 C GLU A 24 69.490 9.601 12.446 1.00 0.00 C ATOM 271 O GLU A 24 70.104 9.972 13.432 1.00 0.00 O ATOM 272 CB GLU A 24 68.180 11.743 12.287 1.00 0.00 C ATOM 273 CG GLU A 24 66.878 12.367 11.775 1.00 0.00 C ATOM 274 CD GLU A 24 66.844 12.310 10.245 1.00 0.00 C ATOM 275 OE1 GLU A 24 67.856 12.620 9.637 1.00 0.00 O ATOM 276 OE2 GLU A 24 65.806 11.962 9.709 1.00 0.00 O ATOM 0 H GLU A 24 67.165 10.088 13.981 1.00 0.00 H new ATOM 0 HA GLU A 24 67.930 9.959 11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 24 68.315 11.976 13.343 1.00 0.00 H new ATOM 0 HB3 GLU A 24 69.032 12.168 11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.021 11.834 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 66.802 13.401 12.112 1.00 0.00 H new ATOM 283 N LEU A 25 69.948 8.659 11.651 1.00 0.00 N ATOM 284 CA LEU A 25 71.211 7.925 11.980 1.00 0.00 C ATOM 285 C LEU A 25 72.419 8.609 11.309 1.00 0.00 C ATOM 286 O LEU A 25 72.317 8.998 10.160 1.00 0.00 O ATOM 287 CB LEU A 25 71.017 6.516 11.413 1.00 0.00 C ATOM 288 CG LEU A 25 69.925 5.791 12.204 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.521 4.515 11.462 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.454 5.427 13.594 1.00 0.00 C ATOM 0 H LEU A 25 69.497 8.367 10.784 1.00 0.00 H new ATOM 0 HA LEU A 25 71.406 7.911 13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.741 6.571 10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.952 5.958 11.469 1.00 0.00 H new ATOM 0 HG LEU A 25 69.058 6.443 12.306 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.743 3.998 12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.143 4.774 10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.389 3.863 11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.676 4.911 14.156 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.322 4.775 13.494 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.742 6.335 14.123 1.00 0.00 H new ATOM 302 N PRO A 26 73.533 8.745 12.028 1.00 0.00 N ATOM 303 CA PRO A 26 74.769 9.330 11.419 1.00 0.00 C ATOM 304 C PRO A 26 75.253 8.504 10.206 1.00 0.00 C ATOM 305 O PRO A 26 74.802 7.390 10.018 1.00 0.00 O ATOM 306 CB PRO A 26 75.797 9.275 12.555 1.00 0.00 C ATOM 307 CG PRO A 26 74.982 9.197 13.800 1.00 0.00 C ATOM 308 CD PRO A 26 73.762 8.401 13.446 1.00 0.00 C ATOM 0 HA PRO A 26 74.603 10.338 11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.451 8.409 12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.435 10.159 12.554 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.541 8.717 14.603 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.710 10.192 14.151 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.926 7.332 13.579 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.910 8.672 14.069 1.00 0.00 H new ATOM 316 N PRO A 27 76.159 9.070 9.419 1.00 0.00 N ATOM 317 CA PRO A 27 76.598 8.416 8.146 1.00 0.00 C ATOM 318 C PRO A 27 77.372 7.106 8.383 1.00 0.00 C ATOM 319 O PRO A 27 77.647 6.393 7.436 1.00 0.00 O ATOM 320 CB PRO A 27 77.510 9.466 7.494 1.00 0.00 C ATOM 321 CG PRO A 27 77.190 10.743 8.196 1.00 0.00 C ATOM 322 CD PRO A 27 76.855 10.358 9.603 1.00 0.00 C ATOM 0 HA PRO A 27 75.745 8.130 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.561 9.203 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 27 77.319 9.545 6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.037 11.428 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 27 76.353 11.253 7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.748 10.253 10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 27 76.218 11.099 10.087 1.00 0.00 H new ATOM 330 N ASP A 28 77.734 6.786 9.612 1.00 0.00 N ATOM 331 CA ASP A 28 78.471 5.501 9.872 1.00 0.00 C ATOM 332 C ASP A 28 77.509 4.302 9.833 1.00 0.00 C ATOM 333 O ASP A 28 77.904 3.197 9.496 1.00 0.00 O ATOM 334 CB ASP A 28 79.135 5.648 11.254 1.00 0.00 C ATOM 335 CG ASP A 28 78.090 5.897 12.350 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.265 5.025 12.566 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.137 6.956 12.955 1.00 0.00 O ATOM 0 H ASP A 28 77.552 7.356 10.438 1.00 0.00 H new ATOM 0 HA ASP A 28 79.222 5.314 9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.701 4.746 11.486 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.846 6.474 11.232 1.00 0.00 H new ATOM 342 N PHE A 29 76.250 4.513 10.167 1.00 0.00 N ATOM 343 CA PHE A 29 75.256 3.381 10.178 1.00 0.00 C ATOM 344 C PHE A 29 75.129 2.741 8.790 1.00 0.00 C ATOM 345 O PHE A 29 75.118 1.531 8.667 1.00 0.00 O ATOM 346 CB PHE A 29 73.917 3.994 10.611 1.00 0.00 C ATOM 347 CG PHE A 29 73.704 3.959 12.105 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.366 4.904 12.946 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.840 2.974 12.677 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.164 4.866 14.360 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.638 2.936 14.092 1.00 0.00 C ATOM 352 CZ PHE A 29 73.301 3.881 14.933 1.00 0.00 C ATOM 0 H PHE A 29 75.868 5.421 10.432 1.00 0.00 H new ATOM 0 HA PHE A 29 75.574 2.590 10.857 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.870 5.027 10.268 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.104 3.458 10.122 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.019 5.647 12.513 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.340 2.259 12.041 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.664 5.582 14.996 1.00 0.00 H new ATOM 0 HE2 PHE A 29 71.984 2.193 14.525 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.150 3.851 16.002 1.00 0.00 H new ATOM 362 N VAL A 30 75.045 3.545 7.751 1.00 0.00 N ATOM 363 CA VAL A 30 74.732 3.001 6.380 1.00 0.00 C ATOM 364 C VAL A 30 75.795 1.972 5.945 1.00 0.00 C ATOM 365 O VAL A 30 75.492 1.019 5.249 1.00 0.00 O ATOM 366 CB VAL A 30 74.686 4.227 5.439 1.00 0.00 C ATOM 367 CG1 VAL A 30 76.063 4.900 5.340 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.228 3.786 4.045 1.00 0.00 C ATOM 0 H VAL A 30 75.179 4.555 7.791 1.00 0.00 H new ATOM 0 HA VAL A 30 73.782 2.468 6.360 1.00 0.00 H new ATOM 0 HB VAL A 30 73.981 4.949 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 30 76.001 5.759 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.378 5.232 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.789 4.187 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.196 4.651 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.927 3.050 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.234 3.343 4.112 1.00 0.00 H new ATOM 378 N ASP A 31 77.026 2.168 6.366 1.00 0.00 N ATOM 379 CA ASP A 31 78.116 1.188 6.034 1.00 0.00 C ATOM 380 C ASP A 31 77.896 -0.117 6.803 1.00 0.00 C ATOM 381 O ASP A 31 78.053 -1.195 6.258 1.00 0.00 O ATOM 382 CB ASP A 31 79.427 1.850 6.471 1.00 0.00 C ATOM 383 CG ASP A 31 80.610 1.054 5.916 1.00 0.00 C ATOM 384 OD1 ASP A 31 80.570 0.707 4.747 1.00 0.00 O ATOM 385 OD2 ASP A 31 81.537 0.804 6.670 1.00 0.00 O ATOM 0 H ASP A 31 77.324 2.966 6.927 1.00 0.00 H new ATOM 0 HA ASP A 31 78.130 0.944 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.466 2.878 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 31 79.481 1.891 7.559 1.00 0.00 H new ATOM 390 N VAL A 32 77.528 -0.021 8.063 1.00 0.00 N ATOM 391 CA VAL A 32 77.349 -1.256 8.906 1.00 0.00 C ATOM 392 C VAL A 32 76.127 -2.043 8.403 1.00 0.00 C ATOM 393 O VAL A 32 76.157 -3.260 8.336 1.00 0.00 O ATOM 394 CB VAL A 32 77.145 -0.770 10.358 1.00 0.00 C ATOM 395 CG1 VAL A 32 76.988 -1.969 11.302 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.357 0.052 10.811 1.00 0.00 C ATOM 0 H VAL A 32 77.344 0.859 8.545 1.00 0.00 H new ATOM 0 HA VAL A 32 78.211 -1.921 8.849 1.00 0.00 H new ATOM 0 HB VAL A 32 76.245 -0.156 10.390 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.845 -1.613 12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.123 -2.560 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 32 77.884 -2.588 11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.205 0.391 11.836 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.254 -0.565 10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.475 0.916 10.157 1.00 0.00 H new ATOM 406 N ILE A 33 75.065 -1.353 8.050 1.00 0.00 N ATOM 407 CA ILE A 33 73.844 -2.039 7.491 1.00 0.00 C ATOM 408 C ILE A 33 74.192 -2.724 6.157 1.00 0.00 C ATOM 409 O ILE A 33 73.786 -3.846 5.909 1.00 0.00 O ATOM 410 CB ILE A 33 72.787 -0.923 7.298 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.442 -0.261 8.652 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.506 -1.485 6.661 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.871 -1.282 9.653 1.00 0.00 C ATOM 0 H ILE A 33 74.988 -0.339 8.124 1.00 0.00 H new ATOM 0 HA ILE A 33 73.467 -2.818 8.153 1.00 0.00 H new ATOM 0 HB ILE A 33 73.213 -0.174 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.337 0.199 9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.718 0.538 8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.779 -0.682 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.742 -1.916 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.087 -2.256 7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.640 -0.780 10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.962 -1.723 9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.606 -2.067 9.832 1.00 0.00 H new ATOM 425 N ARG A 34 74.943 -2.054 5.307 1.00 0.00 N ATOM 426 CA ARG A 34 75.345 -2.653 3.983 1.00 0.00 C ATOM 427 C ARG A 34 76.130 -3.960 4.182 1.00 0.00 C ATOM 428 O ARG A 34 75.934 -4.917 3.457 1.00 0.00 O ATOM 429 CB ARG A 34 76.233 -1.605 3.302 1.00 0.00 C ATOM 430 CG ARG A 34 76.463 -2.000 1.841 1.00 0.00 C ATOM 431 CD ARG A 34 77.315 -0.928 1.150 1.00 0.00 C ATOM 432 NE ARG A 34 78.691 -1.061 1.740 1.00 0.00 N ATOM 433 CZ ARG A 34 79.562 -0.065 1.731 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.298 1.106 1.190 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.734 -0.255 2.272 1.00 0.00 N ATOM 0 H ARG A 34 75.298 -1.112 5.473 1.00 0.00 H new ATOM 0 HA ARG A 34 74.469 -2.899 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.761 -0.624 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.187 -1.528 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.963 -2.967 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.508 -2.107 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.335 -1.079 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.908 0.068 1.325 1.00 0.00 H new ATOM 0 HE ARG A 34 78.963 -1.949 2.162 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.391 1.274 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.000 1.845 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.963 -1.157 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.422 0.498 2.277 1.00 0.00 H new ATOM 449 N ILE A 35 77.009 -3.996 5.161 1.00 0.00 N ATOM 450 CA ILE A 35 77.817 -5.240 5.430 1.00 0.00 C ATOM 451 C ILE A 35 76.888 -6.375 5.903 1.00 0.00 C ATOM 452 O ILE A 35 77.039 -7.512 5.491 1.00 0.00 O ATOM 453 CB ILE A 35 78.837 -4.853 6.524 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.765 -3.752 5.999 1.00 0.00 C ATOM 455 CG2 ILE A 35 79.692 -6.064 6.918 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.465 -3.070 7.174 1.00 0.00 C ATOM 0 H ILE A 35 77.204 -3.216 5.789 1.00 0.00 H new ATOM 0 HA ILE A 35 78.328 -5.602 4.538 1.00 0.00 H new ATOM 0 HB ILE A 35 78.285 -4.500 7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.504 -4.178 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.192 -3.020 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.404 -5.771 7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.048 -6.855 7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.233 -6.427 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.125 -2.287 6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.719 -2.630 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.051 -3.806 7.725 1.00 0.00 H new ATOM 468 N LYS A 36 75.946 -6.065 6.763 1.00 0.00 N ATOM 469 CA LYS A 36 74.982 -7.110 7.259 1.00 0.00 C ATOM 470 C LYS A 36 74.107 -7.640 6.115 1.00 0.00 C ATOM 471 O LYS A 36 73.851 -8.828 6.030 1.00 0.00 O ATOM 472 CB LYS A 36 74.110 -6.412 8.309 1.00 0.00 C ATOM 473 CG LYS A 36 74.965 -6.049 9.525 1.00 0.00 C ATOM 474 CD LYS A 36 74.076 -5.444 10.613 1.00 0.00 C ATOM 475 CE LYS A 36 74.945 -4.980 11.783 1.00 0.00 C ATOM 476 NZ LYS A 36 75.165 -6.202 12.607 1.00 0.00 N ATOM 0 H LYS A 36 75.800 -5.131 7.146 1.00 0.00 H new ATOM 0 HA LYS A 36 75.513 -7.966 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 36 73.662 -5.513 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.291 -7.066 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 36 75.470 -6.937 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.741 -5.339 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 36 73.511 -4.603 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 36 73.350 -6.181 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 36 75.890 -4.565 11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 36 74.448 -4.200 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 75.696 -5.951 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 74.247 -6.610 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 75.706 -6.899 12.056 1.00 0.00 H new ATOM 490 N LEU A 37 73.655 -6.767 5.242 1.00 0.00 N ATOM 491 CA LEU A 37 72.592 -7.149 4.256 1.00 0.00 C ATOM 492 C LEU A 37 73.199 -7.733 2.975 1.00 0.00 C ATOM 493 O LEU A 37 72.618 -8.609 2.362 1.00 0.00 O ATOM 494 CB LEU A 37 71.840 -5.852 3.943 1.00 0.00 C ATOM 495 CG LEU A 37 71.006 -5.433 5.156 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.487 -4.009 4.948 1.00 0.00 C ATOM 497 CD2 LEU A 37 69.817 -6.385 5.315 1.00 0.00 C ATOM 0 H LEU A 37 73.979 -5.802 5.171 1.00 0.00 H new ATOM 0 HA LEU A 37 71.937 -7.918 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.547 -5.063 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.194 -5.995 3.077 1.00 0.00 H new ATOM 0 HG LEU A 37 71.626 -5.471 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 37 69.893 -3.709 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.330 -3.328 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.868 -3.975 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.224 -6.085 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.198 -6.346 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.182 -7.402 5.460 1.00 0.00 H new ATOM 509 N GLN A 38 74.358 -7.253 2.570 1.00 0.00 N ATOM 510 CA GLN A 38 74.954 -7.649 1.236 1.00 0.00 C ATOM 511 C GLN A 38 75.009 -9.177 1.049 1.00 0.00 C ATOM 512 O GLN A 38 75.229 -9.916 1.992 1.00 0.00 O ATOM 513 CB GLN A 38 76.374 -7.051 1.198 1.00 0.00 C ATOM 514 CG GLN A 38 77.215 -7.550 2.380 1.00 0.00 C ATOM 515 CD GLN A 38 78.699 -7.334 2.078 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.397 -8.258 1.709 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.214 -6.144 2.218 1.00 0.00 N ATOM 0 H GLN A 38 74.924 -6.598 3.109 1.00 0.00 H new ATOM 0 HA GLN A 38 74.332 -7.271 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.861 -7.322 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.315 -5.963 1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 38 76.937 -7.017 3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.019 -8.607 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.629 -5.368 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.202 -5.989 2.018 1.00 0.00 H new ATOM 526 N GLY A 39 74.809 -9.636 -0.167 1.00 0.00 N ATOM 527 CA GLY A 39 74.715 -11.105 -0.438 1.00 0.00 C ATOM 528 C GLY A 39 73.246 -11.555 -0.471 1.00 0.00 C ATOM 529 O GLY A 39 72.919 -12.527 -1.130 1.00 0.00 O ATOM 0 H GLY A 39 74.706 -9.045 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.193 -11.336 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.253 -11.658 0.332 1.00 0.00 H new ATOM 533 N LYS A 40 72.370 -10.863 0.226 1.00 0.00 N ATOM 534 CA LYS A 40 70.910 -11.195 0.171 1.00 0.00 C ATOM 535 C LYS A 40 70.233 -10.406 -0.953 1.00 0.00 C ATOM 536 O LYS A 40 70.708 -9.354 -1.348 1.00 0.00 O ATOM 537 CB LYS A 40 70.344 -10.777 1.532 1.00 0.00 C ATOM 538 CG LYS A 40 70.924 -11.677 2.626 1.00 0.00 C ATOM 539 CD LYS A 40 70.278 -11.331 3.969 1.00 0.00 C ATOM 540 CE LYS A 40 70.949 -12.138 5.082 1.00 0.00 C ATOM 541 NZ LYS A 40 70.704 -11.355 6.326 1.00 0.00 N ATOM 0 H LYS A 40 72.608 -10.079 0.833 1.00 0.00 H new ATOM 0 HA LYS A 40 70.739 -12.253 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.590 -9.735 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.257 -10.852 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.744 -12.724 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.004 -11.545 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.378 -10.264 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.211 -11.551 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.524 -13.139 5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 40 72.016 -12.258 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 71.135 -11.845 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 71.126 -10.409 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.680 -11.263 6.482 1.00 0.00 H new ATOM 555 N THR A 41 69.134 -10.913 -1.465 1.00 0.00 N ATOM 556 CA THR A 41 68.410 -10.220 -2.575 1.00 0.00 C ATOM 557 C THR A 41 67.227 -9.422 -2.021 1.00 0.00 C ATOM 558 O THR A 41 66.614 -9.811 -1.042 1.00 0.00 O ATOM 559 CB THR A 41 67.921 -11.343 -3.491 1.00 0.00 C ATOM 560 OG1 THR A 41 69.001 -12.218 -3.784 1.00 0.00 O ATOM 561 CG2 THR A 41 67.379 -10.746 -4.791 1.00 0.00 C ATOM 0 H THR A 41 68.706 -11.786 -1.156 1.00 0.00 H new ATOM 0 HA THR A 41 69.047 -9.512 -3.104 1.00 0.00 H new ATOM 0 HB THR A 41 67.128 -11.899 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.688 -12.939 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.031 -11.548 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.549 -10.076 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.170 -10.188 -5.293 1.00 0.00 H new ATOM 569 N VAL A 42 66.911 -8.313 -2.649 1.00 0.00 N ATOM 570 CA VAL A 42 65.824 -7.415 -2.141 1.00 0.00 C ATOM 571 C VAL A 42 64.828 -7.096 -3.262 1.00 0.00 C ATOM 572 O VAL A 42 65.217 -6.879 -4.398 1.00 0.00 O ATOM 573 CB VAL A 42 66.523 -6.133 -1.648 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.429 -6.469 -0.462 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.370 -5.499 -2.764 1.00 0.00 C ATOM 0 H VAL A 42 67.366 -7.988 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 42 65.258 -7.887 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 42 65.755 -5.421 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.923 -5.562 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.830 -6.889 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.180 -7.195 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.851 -4.596 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.132 -6.207 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.728 -5.243 -3.607 1.00 0.00 H new ATOM 585 N ARG A 43 63.554 -7.073 -2.940 1.00 0.00 N ATOM 586 CA ARG A 43 62.510 -6.676 -3.933 1.00 0.00 C ATOM 587 C ARG A 43 61.522 -5.698 -3.287 1.00 0.00 C ATOM 588 O ARG A 43 61.305 -5.727 -2.088 1.00 0.00 O ATOM 589 CB ARG A 43 61.806 -7.981 -4.309 1.00 0.00 C ATOM 590 CG ARG A 43 60.866 -7.734 -5.492 1.00 0.00 C ATOM 591 CD ARG A 43 59.970 -8.960 -5.699 1.00 0.00 C ATOM 592 NE ARG A 43 60.876 -10.050 -6.200 1.00 0.00 N ATOM 593 CZ ARG A 43 60.419 -11.094 -6.873 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.143 -11.263 -7.140 1.00 0.00 N ATOM 595 NH2 ARG A 43 61.270 -11.996 -7.281 1.00 0.00 N ATOM 0 H ARG A 43 63.192 -7.316 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 43 62.932 -6.177 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.542 -8.742 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.243 -8.361 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.255 -6.851 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.444 -7.537 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 43 59.485 -9.252 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.178 -8.749 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 43 61.877 -9.983 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 43 58.460 -10.574 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 43 58.836 -12.083 -7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 43 62.264 -11.888 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 43 60.941 -12.809 -7.801 1.00 0.00 H new ATOM 609 N THR A 44 60.917 -4.836 -4.079 1.00 0.00 N ATOM 610 CA THR A 44 60.042 -3.739 -3.520 1.00 0.00 C ATOM 611 C THR A 44 58.933 -4.307 -2.622 1.00 0.00 C ATOM 612 O THR A 44 58.290 -5.283 -2.966 1.00 0.00 O ATOM 613 CB THR A 44 59.412 -3.049 -4.739 1.00 0.00 C ATOM 614 OG1 THR A 44 60.401 -2.848 -5.740 1.00 0.00 O ATOM 615 CG2 THR A 44 58.837 -1.697 -4.318 1.00 0.00 C ATOM 0 H THR A 44 60.991 -4.843 -5.096 1.00 0.00 H new ATOM 0 HA THR A 44 60.628 -3.054 -2.907 1.00 0.00 H new ATOM 0 HB THR A 44 58.616 -3.678 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 44 59.996 -2.409 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.390 -1.207 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.076 -1.848 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.635 -1.071 -3.918 1.00 0.00 H new ATOM 623 N GLY A 45 58.716 -3.697 -1.477 1.00 0.00 N ATOM 624 CA GLY A 45 57.566 -4.087 -0.602 1.00 0.00 C ATOM 625 C GLY A 45 58.012 -5.032 0.526 1.00 0.00 C ATOM 626 O GLY A 45 57.297 -5.194 1.499 1.00 0.00 O ATOM 0 H GLY A 45 59.293 -2.940 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.115 -3.193 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.798 -4.574 -1.204 1.00 0.00 H new ATOM 630 N ASP A 46 59.174 -5.654 0.414 1.00 0.00 N ATOM 631 CA ASP A 46 59.652 -6.588 1.496 1.00 0.00 C ATOM 632 C ASP A 46 59.855 -5.834 2.816 1.00 0.00 C ATOM 633 O ASP A 46 60.135 -4.648 2.819 1.00 0.00 O ATOM 634 CB ASP A 46 60.992 -7.154 1.010 1.00 0.00 C ATOM 635 CG ASP A 46 60.763 -8.101 -0.172 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.802 -8.853 -0.134 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.562 -8.063 -1.092 1.00 0.00 O ATOM 0 H ASP A 46 59.808 -5.554 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 46 58.921 -7.375 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.653 -6.340 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.487 -7.686 1.822 1.00 0.00 H new ATOM 642 N VAL A 47 59.713 -6.521 3.927 1.00 0.00 N ATOM 643 CA VAL A 47 59.934 -5.882 5.265 1.00 0.00 C ATOM 644 C VAL A 47 60.817 -6.799 6.122 1.00 0.00 C ATOM 645 O VAL A 47 60.567 -7.989 6.221 1.00 0.00 O ATOM 646 CB VAL A 47 58.531 -5.716 5.886 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.636 -5.046 7.261 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.655 -4.836 4.984 1.00 0.00 C ATOM 0 H VAL A 47 59.451 -7.506 3.963 1.00 0.00 H new ATOM 0 HA VAL A 47 60.440 -4.919 5.193 1.00 0.00 H new ATOM 0 HB VAL A 47 58.085 -6.705 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.640 -4.935 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.247 -5.662 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.096 -4.064 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.667 -4.726 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.116 -3.854 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.559 -5.302 4.004 1.00 0.00 H new ATOM 658 N ILE A 48 61.840 -6.247 6.735 1.00 0.00 N ATOM 659 CA ILE A 48 62.754 -7.066 7.599 1.00 0.00 C ATOM 660 C ILE A 48 63.095 -6.302 8.885 1.00 0.00 C ATOM 661 O ILE A 48 63.121 -5.084 8.896 1.00 0.00 O ATOM 662 CB ILE A 48 64.019 -7.347 6.761 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.699 -6.038 6.306 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.638 -8.179 5.531 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.686 -5.543 7.375 1.00 0.00 C ATOM 0 H ILE A 48 62.082 -5.258 6.673 1.00 0.00 H new ATOM 0 HA ILE A 48 62.284 -8.001 7.903 1.00 0.00 H new ATOM 0 HB ILE A 48 64.725 -7.895 7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.225 -6.203 5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.943 -5.275 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.530 -8.379 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.197 -9.122 5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.916 -7.628 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.156 -4.619 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.151 -5.358 8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.452 -6.300 7.541 1.00 0.00 H new ATOM 677 N GLY A 49 63.354 -7.018 9.958 1.00 0.00 N ATOM 678 CA GLY A 49 63.652 -6.362 11.269 1.00 0.00 C ATOM 679 C GLY A 49 65.141 -6.510 11.595 1.00 0.00 C ATOM 680 O GLY A 49 65.724 -7.557 11.376 1.00 0.00 O ATOM 0 H GLY A 49 63.371 -8.038 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.382 -5.307 11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.051 -6.814 12.058 1.00 0.00 H new ATOM 684 N ILE A 50 65.748 -5.466 12.113 1.00 0.00 N ATOM 685 CA ILE A 50 67.187 -5.536 12.528 1.00 0.00 C ATOM 686 C ILE A 50 67.315 -5.060 13.984 1.00 0.00 C ATOM 687 O ILE A 50 66.698 -4.087 14.377 1.00 0.00 O ATOM 688 CB ILE A 50 67.949 -4.600 11.563 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.768 -5.076 10.114 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.448 -4.608 11.894 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.243 -3.986 9.150 1.00 0.00 C ATOM 0 H ILE A 50 65.303 -4.561 12.267 1.00 0.00 H new ATOM 0 HA ILE A 50 67.590 -6.548 12.480 1.00 0.00 H new ATOM 0 HB ILE A 50 67.549 -3.592 11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.334 -5.993 9.949 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.720 -5.310 9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.976 -3.945 11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.596 -4.264 12.917 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.838 -5.621 11.792 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.113 -4.327 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.658 -3.080 9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.297 -3.774 9.331 1.00 0.00 H new ATOM 703 N SER A 51 68.107 -5.752 14.773 1.00 0.00 N ATOM 704 CA SER A 51 68.441 -5.258 16.149 1.00 0.00 C ATOM 705 C SER A 51 69.696 -4.382 16.105 1.00 0.00 C ATOM 706 O SER A 51 70.766 -4.848 15.752 1.00 0.00 O ATOM 707 CB SER A 51 68.703 -6.519 16.978 1.00 0.00 C ATOM 708 OG SER A 51 68.931 -6.152 18.331 1.00 0.00 O ATOM 0 H SER A 51 68.538 -6.642 14.521 1.00 0.00 H new ATOM 0 HA SER A 51 67.640 -4.652 16.572 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.851 -7.196 16.911 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.567 -7.054 16.584 1.00 0.00 H new ATOM 0 HG SER A 51 69.097 -6.957 18.865 1.00 0.00 H new ATOM 714 N ILE A 52 69.568 -3.122 16.460 1.00 0.00 N ATOM 715 CA ILE A 52 70.749 -2.197 16.456 1.00 0.00 C ATOM 716 C ILE A 52 70.805 -1.432 17.786 1.00 0.00 C ATOM 717 O ILE A 52 69.797 -0.978 18.292 1.00 0.00 O ATOM 718 CB ILE A 52 70.535 -1.227 15.274 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.404 -2.007 13.956 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.733 -0.273 15.159 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.904 -1.074 12.849 1.00 0.00 C ATOM 0 H ILE A 52 68.690 -2.693 16.754 1.00 0.00 H new ATOM 0 HA ILE A 52 71.690 -2.736 16.347 1.00 0.00 H new ATOM 0 HB ILE A 52 69.621 -0.663 15.457 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.368 -2.433 13.677 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.712 -2.840 14.083 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.576 0.409 14.323 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.832 0.300 16.081 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.643 -0.850 14.991 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.813 -1.632 11.917 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.931 -0.669 13.126 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.612 -0.256 12.715 1.00 0.00 H new ATOM 733 N LEU A 53 71.992 -1.291 18.352 1.00 0.00 N ATOM 734 CA LEU A 53 72.212 -0.421 19.566 1.00 0.00 C ATOM 735 C LEU A 53 71.229 -0.782 20.695 1.00 0.00 C ATOM 736 O LEU A 53 70.809 0.067 21.459 1.00 0.00 O ATOM 737 CB LEU A 53 71.993 1.022 19.078 1.00 0.00 C ATOM 738 CG LEU A 53 72.871 2.000 19.880 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.241 3.196 18.996 1.00 0.00 C ATOM 740 CD2 LEU A 53 72.111 2.502 21.114 1.00 0.00 C ATOM 0 H LEU A 53 72.836 -1.754 18.014 1.00 0.00 H new ATOM 0 HA LEU A 53 73.209 -0.558 19.984 1.00 0.00 H new ATOM 0 HB2 LEU A 53 72.233 1.094 18.017 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.943 1.294 19.186 1.00 0.00 H new ATOM 0 HG LEU A 53 73.775 1.482 20.201 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.863 3.889 19.563 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.791 2.846 18.122 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.333 3.704 18.673 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.742 3.193 21.674 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.202 3.015 20.798 1.00 0.00 H new ATOM 0 HD23 LEU A 53 71.848 1.656 21.749 1.00 0.00 H new ATOM 752 N GLY A 54 70.864 -2.043 20.791 1.00 0.00 N ATOM 753 CA GLY A 54 69.976 -2.505 21.905 1.00 0.00 C ATOM 754 C GLY A 54 68.520 -2.083 21.650 1.00 0.00 C ATOM 755 O GLY A 54 67.736 -2.007 22.581 1.00 0.00 O ATOM 0 H GLY A 54 71.147 -2.775 20.139 1.00 0.00 H new ATOM 0 HA2 GLY A 54 70.035 -3.589 21.997 1.00 0.00 H new ATOM 0 HA3 GLY A 54 70.321 -2.085 22.850 1.00 0.00 H new ATOM 759 N LYS A 55 68.151 -1.812 20.412 1.00 0.00 N ATOM 760 CA LYS A 55 66.758 -1.355 20.109 1.00 0.00 C ATOM 761 C LYS A 55 66.254 -2.007 18.820 1.00 0.00 C ATOM 762 O LYS A 55 66.984 -2.111 17.849 1.00 0.00 O ATOM 763 CB LYS A 55 66.866 0.162 19.935 1.00 0.00 C ATOM 764 CG LYS A 55 67.205 0.808 21.280 1.00 0.00 C ATOM 765 CD LYS A 55 67.179 2.331 21.134 1.00 0.00 C ATOM 766 CE LYS A 55 67.608 2.979 22.453 1.00 0.00 C ATOM 767 NZ LYS A 55 69.097 2.989 22.409 1.00 0.00 N ATOM 0 H LYS A 55 68.762 -1.890 19.599 1.00 0.00 H new ATOM 0 HA LYS A 55 66.056 -1.626 20.897 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.636 0.400 19.201 1.00 0.00 H new ATOM 0 HB3 LYS A 55 65.927 0.563 19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 55 66.489 0.492 22.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.189 0.481 21.615 1.00 0.00 H new ATOM 0 HD2 LYS A 55 67.847 2.641 20.330 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.177 2.664 20.862 1.00 0.00 H new ATOM 0 HE2 LYS A 55 67.209 3.989 22.545 1.00 0.00 H new ATOM 0 HE3 LYS A 55 67.242 2.412 23.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 69.474 2.819 23.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 69.430 2.242 21.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 69.428 3.913 22.066 1.00 0.00 H new ATOM 781 N GLU A 56 65.015 -2.446 18.812 1.00 0.00 N ATOM 782 CA GLU A 56 64.433 -3.078 17.581 1.00 0.00 C ATOM 783 C GLU A 56 63.978 -1.997 16.596 1.00 0.00 C ATOM 784 O GLU A 56 63.243 -1.095 16.955 1.00 0.00 O ATOM 785 CB GLU A 56 63.230 -3.895 18.067 1.00 0.00 C ATOM 786 CG GLU A 56 62.715 -4.776 16.926 1.00 0.00 C ATOM 787 CD GLU A 56 61.442 -5.499 17.374 1.00 0.00 C ATOM 788 OE1 GLU A 56 61.530 -6.296 18.292 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.402 -5.243 16.790 1.00 0.00 O ATOM 0 H GLU A 56 64.380 -2.394 19.608 1.00 0.00 H new ATOM 0 HA GLU A 56 65.161 -3.701 17.063 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.517 -4.514 18.917 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.439 -3.228 18.411 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.509 -4.166 16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.477 -5.501 16.640 1.00 0.00 H new ATOM 796 N VAL A 57 64.417 -2.090 15.359 1.00 0.00 N ATOM 797 CA VAL A 57 63.935 -1.150 14.295 1.00 0.00 C ATOM 798 C VAL A 57 63.427 -1.950 13.085 1.00 0.00 C ATOM 799 O VAL A 57 64.085 -2.862 12.617 1.00 0.00 O ATOM 800 CB VAL A 57 65.156 -0.266 13.941 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.335 -1.118 13.456 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.782 0.738 12.843 1.00 0.00 C ATOM 0 H VAL A 57 65.094 -2.783 15.041 1.00 0.00 H new ATOM 0 HA VAL A 57 63.099 -0.532 14.623 1.00 0.00 H new ATOM 0 HB VAL A 57 65.453 0.265 14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.177 -0.470 13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.627 -1.816 14.241 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.040 -1.675 12.567 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.649 1.354 12.603 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.461 0.199 11.951 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.970 1.375 13.194 1.00 0.00 H new ATOM 812 N LYS A 58 62.257 -1.607 12.593 1.00 0.00 N ATOM 813 CA LYS A 58 61.720 -2.259 11.357 1.00 0.00 C ATOM 814 C LYS A 58 62.034 -1.404 10.126 1.00 0.00 C ATOM 815 O LYS A 58 61.799 -0.207 10.124 1.00 0.00 O ATOM 816 CB LYS A 58 60.208 -2.343 11.575 1.00 0.00 C ATOM 817 CG LYS A 58 59.907 -3.334 12.703 1.00 0.00 C ATOM 818 CD LYS A 58 58.393 -3.499 12.845 1.00 0.00 C ATOM 819 CE LYS A 58 58.087 -4.397 14.047 1.00 0.00 C ATOM 820 NZ LYS A 58 58.154 -3.491 15.228 1.00 0.00 N ATOM 0 H LYS A 58 61.648 -0.897 13.000 1.00 0.00 H new ATOM 0 HA LYS A 58 62.163 -3.240 11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.811 -1.359 11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.715 -2.661 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.370 -4.297 12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.334 -2.976 13.640 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.921 -2.525 12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.977 -3.935 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.103 -4.856 13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.811 -5.208 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 58.817 -3.881 15.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.483 -2.551 14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.209 -3.407 15.655 1.00 0.00 H new ATOM 834 N PHE A 59 62.561 -2.013 9.088 1.00 0.00 N ATOM 835 CA PHE A 59 62.867 -1.267 7.827 1.00 0.00 C ATOM 836 C PHE A 59 61.989 -1.778 6.683 1.00 0.00 C ATOM 837 O PHE A 59 61.875 -2.974 6.474 1.00 0.00 O ATOM 838 CB PHE A 59 64.337 -1.567 7.534 1.00 0.00 C ATOM 839 CG PHE A 59 65.305 -0.765 8.371 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.592 0.594 8.030 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.946 -1.368 9.497 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.516 1.348 8.817 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.871 -0.614 10.283 1.00 0.00 C ATOM 844 CZ PHE A 59 67.156 0.744 9.944 1.00 0.00 C ATOM 0 H PHE A 59 62.794 -3.006 9.063 1.00 0.00 H new ATOM 0 HA PHE A 59 62.677 -0.198 7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.521 -2.628 7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.534 -1.371 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.110 1.050 7.178 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.731 -2.395 9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.731 2.375 8.560 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.355 -1.071 11.134 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.854 1.314 10.539 1.00 0.00 H new ATOM 854 N LYS A 60 61.371 -0.878 5.951 1.00 0.00 N ATOM 855 CA LYS A 60 60.611 -1.274 4.726 1.00 0.00 C ATOM 856 C LYS A 60 61.428 -0.951 3.472 1.00 0.00 C ATOM 857 O LYS A 60 62.074 0.081 3.400 1.00 0.00 O ATOM 858 CB LYS A 60 59.332 -0.435 4.760 1.00 0.00 C ATOM 859 CG LYS A 60 58.362 -0.949 3.693 1.00 0.00 C ATOM 860 CD LYS A 60 57.105 -0.078 3.681 1.00 0.00 C ATOM 861 CE LYS A 60 56.080 -0.678 2.716 1.00 0.00 C ATOM 862 NZ LYS A 60 54.952 0.295 2.700 1.00 0.00 N ATOM 0 H LYS A 60 61.363 0.121 6.154 1.00 0.00 H new ATOM 0 HA LYS A 60 60.396 -2.342 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.871 -0.494 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.567 0.614 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.839 -0.930 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.096 -1.986 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.683 -0.015 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.356 0.938 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.504 -0.808 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.749 -1.661 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.208 -0.047 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.564 0.393 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.296 1.219 2.369 1.00 0.00 H new ATOM 876 N VAL A 61 61.400 -1.828 2.494 1.00 0.00 N ATOM 877 CA VAL A 61 62.145 -1.582 1.214 1.00 0.00 C ATOM 878 C VAL A 61 61.285 -0.708 0.294 1.00 0.00 C ATOM 879 O VAL A 61 60.255 -1.143 -0.192 1.00 0.00 O ATOM 880 CB VAL A 61 62.391 -2.972 0.588 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.200 -2.830 -0.707 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.181 -3.859 1.560 1.00 0.00 C ATOM 0 H VAL A 61 60.889 -2.710 2.528 1.00 0.00 H new ATOM 0 HA VAL A 61 63.090 -1.062 1.375 1.00 0.00 H new ATOM 0 HB VAL A 61 61.423 -3.427 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.368 -3.816 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.648 -2.211 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.159 -2.362 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.348 -4.836 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.141 -3.392 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.616 -3.979 2.484 1.00 0.00 H new ATOM 892 N VAL A 62 61.714 0.510 0.054 1.00 0.00 N ATOM 893 CA VAL A 62 60.856 1.496 -0.680 1.00 0.00 C ATOM 894 C VAL A 62 60.941 1.215 -2.184 1.00 0.00 C ATOM 895 O VAL A 62 59.938 1.213 -2.875 1.00 0.00 O ATOM 896 CB VAL A 62 61.421 2.894 -0.343 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.587 3.983 -1.028 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.376 3.130 1.172 1.00 0.00 C ATOM 0 H VAL A 62 62.627 0.865 0.337 1.00 0.00 H new ATOM 0 HA VAL A 62 59.807 1.429 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 62 62.451 2.939 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.996 4.963 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.616 3.838 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.555 3.923 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.777 4.118 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.345 3.068 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.975 2.372 1.676 1.00 0.00 H new ATOM 908 N GLN A 63 62.136 0.977 -2.686 1.00 0.00 N ATOM 909 CA GLN A 63 62.319 0.751 -4.155 1.00 0.00 C ATOM 910 C GLN A 63 63.688 0.126 -4.439 1.00 0.00 C ATOM 911 O GLN A 63 64.701 0.596 -3.951 1.00 0.00 O ATOM 912 CB GLN A 63 62.228 2.142 -4.793 1.00 0.00 C ATOM 913 CG GLN A 63 62.111 2.000 -6.312 1.00 0.00 C ATOM 914 CD GLN A 63 61.762 3.358 -6.924 1.00 0.00 C ATOM 915 OE1 GLN A 63 60.908 3.416 -7.909 1.00 0.00 O flip ATOM 916 NE2 GLN A 63 62.272 4.377 -6.502 1.00 0.00 N flip ATOM 0 H GLN A 63 62.993 0.930 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 63 61.570 0.067 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.364 2.678 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.111 2.729 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 63 63.049 1.632 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.343 1.268 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 63 62.940 4.332 -5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 63 62.033 5.277 -6.918 1.00 0.00 H new ATOM 925 N ALA A 64 63.712 -0.930 -5.221 1.00 0.00 N ATOM 926 CA ALA A 64 65.006 -1.542 -5.653 1.00 0.00 C ATOM 927 C ALA A 64 65.288 -1.196 -7.119 1.00 0.00 C ATOM 928 O ALA A 64 64.405 -1.258 -7.954 1.00 0.00 O ATOM 929 CB ALA A 64 64.806 -3.049 -5.487 1.00 0.00 C ATOM 0 H ALA A 64 62.879 -1.397 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 64 65.852 -1.177 -5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.715 -3.572 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.583 -3.274 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.977 -3.377 -6.114 1.00 0.00 H new ATOM 935 N TYR A 65 66.513 -0.830 -7.426 1.00 0.00 N ATOM 936 CA TYR A 65 66.887 -0.490 -8.836 1.00 0.00 C ATOM 937 C TYR A 65 68.157 -1.267 -9.246 1.00 0.00 C ATOM 938 O TYR A 65 69.185 -1.065 -8.632 1.00 0.00 O ATOM 939 CB TYR A 65 67.170 1.017 -8.812 1.00 0.00 C ATOM 940 CG TYR A 65 65.949 1.865 -9.082 1.00 0.00 C ATOM 941 CD1 TYR A 65 65.144 1.614 -10.236 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.602 2.922 -8.184 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.991 2.420 -10.492 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.450 3.728 -8.440 1.00 0.00 C ATOM 945 CZ TYR A 65 63.644 3.477 -9.594 1.00 0.00 C ATOM 946 OH TYR A 65 62.532 4.255 -9.842 1.00 0.00 O ATOM 0 H TYR A 65 67.275 -0.752 -6.752 1.00 0.00 H new ATOM 0 HA TYR A 65 66.105 -0.751 -9.550 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.581 1.286 -7.839 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.934 1.247 -9.555 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.407 0.816 -10.914 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.211 3.111 -7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.382 2.230 -11.364 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.188 4.527 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 65 61.762 3.890 -9.358 1.00 0.00 H new ATOM 956 N PRO A 66 68.101 -2.129 -10.257 1.00 0.00 N ATOM 957 CA PRO A 66 66.835 -2.690 -10.834 1.00 0.00 C ATOM 958 C PRO A 66 66.221 -3.710 -9.870 1.00 0.00 C ATOM 959 O PRO A 66 66.886 -4.181 -8.967 1.00 0.00 O ATOM 960 CB PRO A 66 67.304 -3.375 -12.116 1.00 0.00 C ATOM 961 CG PRO A 66 68.719 -3.749 -11.838 1.00 0.00 C ATOM 962 CD PRO A 66 69.279 -2.667 -10.957 1.00 0.00 C ATOM 0 HA PRO A 66 66.070 -1.935 -11.012 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.698 -4.252 -12.343 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.231 -2.707 -12.974 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.774 -4.719 -11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.289 -3.829 -12.764 1.00 0.00 H new ATOM 0 HD2 PRO A 66 70.013 -3.064 -10.256 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.781 -1.897 -11.542 1.00 0.00 H new ATOM 970 N SER A 67 64.967 -4.051 -10.061 1.00 0.00 N ATOM 971 CA SER A 67 64.303 -5.051 -9.167 1.00 0.00 C ATOM 972 C SER A 67 64.227 -6.423 -9.872 1.00 0.00 C ATOM 973 O SER A 67 64.037 -6.460 -11.071 1.00 0.00 O ATOM 974 CB SER A 67 62.895 -4.502 -8.934 1.00 0.00 C ATOM 975 OG SER A 67 62.968 -3.351 -8.105 1.00 0.00 O ATOM 0 H SER A 67 64.374 -3.677 -10.802 1.00 0.00 H new ATOM 0 HA SER A 67 64.848 -5.195 -8.234 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.429 -4.249 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.269 -5.262 -8.466 1.00 0.00 H new ATOM 0 HG SER A 67 63.599 -2.709 -8.492 1.00 0.00 H new ATOM 981 N PRO A 68 64.371 -7.523 -9.142 1.00 0.00 N ATOM 982 CA PRO A 68 65.105 -7.576 -7.833 1.00 0.00 C ATOM 983 C PRO A 68 66.614 -7.425 -8.056 1.00 0.00 C ATOM 984 O PRO A 68 67.097 -7.572 -9.164 1.00 0.00 O ATOM 985 CB PRO A 68 64.774 -8.969 -7.297 1.00 0.00 C ATOM 986 CG PRO A 68 64.489 -9.777 -8.517 1.00 0.00 C ATOM 987 CD PRO A 68 63.837 -8.846 -9.500 1.00 0.00 C ATOM 0 HA PRO A 68 64.818 -6.778 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.607 -9.385 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.914 -8.943 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.407 -10.196 -8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.833 -10.616 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.085 -9.112 -10.527 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.751 -8.874 -9.417 1.00 0.00 H new ATOM 995 N LEU A 69 67.351 -7.129 -7.006 1.00 0.00 N ATOM 996 CA LEU A 69 68.847 -7.092 -7.101 1.00 0.00 C ATOM 997 C LEU A 69 69.481 -7.627 -5.812 1.00 0.00 C ATOM 998 O LEU A 69 68.865 -7.605 -4.762 1.00 0.00 O ATOM 999 CB LEU A 69 69.216 -5.615 -7.341 1.00 0.00 C ATOM 1000 CG LEU A 69 68.747 -4.721 -6.174 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.839 -4.665 -5.096 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.454 -3.300 -6.686 1.00 0.00 C ATOM 0 H LEU A 69 66.976 -6.911 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 69 69.219 -7.723 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.295 -5.523 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.762 -5.271 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 69 67.837 -5.141 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.506 -4.033 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.036 -5.671 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.752 -4.251 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.123 -2.675 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.359 -2.876 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.672 -3.340 -7.444 1.00 0.00 H new ATOM 1014 N ARG A 70 70.701 -8.108 -5.894 1.00 0.00 N ATOM 1015 CA ARG A 70 71.473 -8.450 -4.658 1.00 0.00 C ATOM 1016 C ARG A 70 72.274 -7.232 -4.192 1.00 0.00 C ATOM 1017 O ARG A 70 72.816 -6.495 -4.998 1.00 0.00 O ATOM 1018 CB ARG A 70 72.412 -9.595 -5.054 1.00 0.00 C ATOM 1019 CG ARG A 70 71.725 -10.941 -4.802 1.00 0.00 C ATOM 1020 CD ARG A 70 72.434 -12.036 -5.607 1.00 0.00 C ATOM 1021 NE ARG A 70 73.740 -12.277 -4.903 1.00 0.00 N ATOM 1022 CZ ARG A 70 74.782 -12.815 -5.514 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.751 -13.194 -6.774 1.00 0.00 N ATOM 1024 NH2 ARG A 70 75.886 -12.985 -4.837 1.00 0.00 N ATOM 0 H ARG A 70 71.196 -8.279 -6.769 1.00 0.00 H new ATOM 0 HA ARG A 70 70.819 -8.742 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.684 -9.507 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.336 -9.535 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.751 -11.181 -3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.675 -10.885 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 70 71.835 -12.946 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.597 -11.721 -6.638 1.00 0.00 H new ATOM 0 HE ARG A 70 73.825 -12.017 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.898 -13.077 -7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 70 75.580 -13.605 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 70 75.932 -12.705 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 70 76.702 -13.398 -5.288 1.00 0.00 H new ATOM 1038 N VAL A 71 72.345 -7.026 -2.896 1.00 0.00 N ATOM 1039 CA VAL A 71 73.061 -5.828 -2.346 1.00 0.00 C ATOM 1040 C VAL A 71 74.567 -6.127 -2.283 1.00 0.00 C ATOM 1041 O VAL A 71 74.971 -7.180 -1.825 1.00 0.00 O ATOM 1042 CB VAL A 71 72.472 -5.593 -0.938 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.143 -4.386 -0.272 1.00 0.00 C ATOM 1044 CG2 VAL A 71 70.967 -5.317 -1.042 1.00 0.00 C ATOM 0 H VAL A 71 71.935 -7.640 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 71 72.933 -4.940 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 71 72.650 -6.487 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.717 -4.234 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.214 -4.569 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 71 72.976 -3.496 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.558 -5.152 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.801 -4.430 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.471 -6.172 -1.501 1.00 0.00 H new ATOM 1054 N GLU A 72 75.381 -5.202 -2.739 1.00 0.00 N ATOM 1055 CA GLU A 72 76.862 -5.411 -2.741 1.00 0.00 C ATOM 1056 C GLU A 72 77.567 -4.193 -2.135 1.00 0.00 C ATOM 1057 O GLU A 72 76.978 -3.135 -2.005 1.00 0.00 O ATOM 1058 CB GLU A 72 77.235 -5.569 -4.217 1.00 0.00 C ATOM 1059 CG GLU A 72 78.690 -6.027 -4.336 1.00 0.00 C ATOM 1060 CD GLU A 72 79.041 -6.240 -5.810 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.697 -5.386 -6.611 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.649 -7.253 -6.113 1.00 0.00 O ATOM 0 H GLU A 72 75.077 -4.303 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 72 77.160 -6.277 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.575 -6.295 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.098 -4.622 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.354 -5.282 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.838 -6.952 -3.779 1.00 0.00 H new ATOM 1069 N ASP A 73 78.822 -4.344 -1.764 1.00 0.00 N ATOM 1070 CA ASP A 73 79.603 -3.195 -1.177 1.00 0.00 C ATOM 1071 C ASP A 73 79.688 -2.024 -2.166 1.00 0.00 C ATOM 1072 O ASP A 73 79.779 -0.876 -1.763 1.00 0.00 O ATOM 1073 CB ASP A 73 81.005 -3.745 -0.893 1.00 0.00 C ATOM 1074 CG ASP A 73 81.761 -2.773 0.016 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.712 -1.583 -0.251 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.377 -3.234 0.962 1.00 0.00 O ATOM 0 H ASP A 73 79.343 -5.217 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 73 79.122 -2.815 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 73 80.934 -4.723 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.549 -3.883 -1.827 1.00 0.00 H new ATOM 1081 N ARG A 74 79.659 -2.312 -3.449 1.00 0.00 N ATOM 1082 CA ARG A 74 79.665 -1.224 -4.483 1.00 0.00 C ATOM 1083 C ARG A 74 78.256 -0.648 -4.698 1.00 0.00 C ATOM 1084 O ARG A 74 78.116 0.456 -5.196 1.00 0.00 O ATOM 1085 CB ARG A 74 80.170 -1.882 -5.772 1.00 0.00 C ATOM 1086 CG ARG A 74 81.633 -2.297 -5.599 1.00 0.00 C ATOM 1087 CD ARG A 74 82.158 -2.872 -6.915 1.00 0.00 C ATOM 1088 NE ARG A 74 83.518 -3.407 -6.587 1.00 0.00 N ATOM 1089 CZ ARG A 74 84.576 -2.624 -6.455 1.00 0.00 C ATOM 1090 NH1 ARG A 74 84.512 -1.317 -6.602 1.00 0.00 N ATOM 1091 NH2 ARG A 74 85.727 -3.167 -6.169 1.00 0.00 N ATOM 0 H ARG A 74 79.631 -3.260 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 74 80.296 -0.392 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.560 -2.754 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.075 -1.188 -6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 74 82.233 -1.438 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.720 -3.039 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.504 -3.659 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 74 82.211 -2.105 -7.688 1.00 0.00 H new ATOM 0 HE ARG A 74 83.633 -4.413 -6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 74 83.622 -0.872 -6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 74 85.352 -0.750 -6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.799 -4.178 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 74 86.555 -2.581 -6.063 1.00 0.00 H new ATOM 1105 N THR A 75 77.221 -1.380 -4.330 1.00 0.00 N ATOM 1106 CA THR A 75 75.821 -0.860 -4.490 1.00 0.00 C ATOM 1107 C THR A 75 75.581 0.317 -3.540 1.00 0.00 C ATOM 1108 O THR A 75 75.965 0.273 -2.383 1.00 0.00 O ATOM 1109 CB THR A 75 74.893 -2.028 -4.133 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.302 -3.190 -4.839 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.455 -1.674 -4.519 1.00 0.00 C ATOM 0 H THR A 75 77.289 -2.314 -3.926 1.00 0.00 H new ATOM 0 HA THR A 75 75.641 -0.502 -5.504 1.00 0.00 H new ATOM 0 HB THR A 75 74.944 -2.218 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.988 -3.137 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.795 -2.504 -4.265 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.142 -0.782 -3.976 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.402 -1.483 -5.591 1.00 0.00 H new ATOM 1119 N LYS A 76 74.950 1.363 -4.027 1.00 0.00 N ATOM 1120 CA LYS A 76 74.703 2.578 -3.182 1.00 0.00 C ATOM 1121 C LYS A 76 73.390 2.425 -2.410 1.00 0.00 C ATOM 1122 O LYS A 76 72.409 1.942 -2.943 1.00 0.00 O ATOM 1123 CB LYS A 76 74.607 3.748 -4.167 1.00 0.00 C ATOM 1124 CG LYS A 76 75.962 3.963 -4.847 1.00 0.00 C ATOM 1125 CD LYS A 76 75.865 5.141 -5.818 1.00 0.00 C ATOM 1126 CE LYS A 76 77.078 5.135 -6.750 1.00 0.00 C ATOM 1127 NZ LYS A 76 78.227 5.530 -5.889 1.00 0.00 N ATOM 0 H LYS A 76 74.593 1.427 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 76 75.494 2.731 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.842 3.544 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.305 4.654 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.730 4.158 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.260 3.061 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 76 74.946 5.072 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 76 75.823 6.079 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.234 4.149 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 76 76.945 5.834 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 79.045 5.762 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 77.966 6.361 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 78.473 4.742 -5.256 1.00 0.00 H new ATOM 1141 N ILE A 77 73.372 2.833 -1.160 1.00 0.00 N ATOM 1142 CA ILE A 77 72.114 2.763 -0.346 1.00 0.00 C ATOM 1143 C ILE A 77 71.812 4.149 0.241 1.00 0.00 C ATOM 1144 O ILE A 77 72.698 4.823 0.737 1.00 0.00 O ATOM 1145 CB ILE A 77 72.392 1.724 0.761 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.697 0.359 0.129 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.165 1.576 1.673 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.295 -0.575 1.182 1.00 0.00 C ATOM 0 H ILE A 77 74.180 3.213 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 77 71.245 2.471 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 77 73.245 2.066 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.785 -0.075 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.393 0.479 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.375 0.840 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.938 2.536 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.310 1.246 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.510 -1.543 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.217 -0.143 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.584 -0.706 1.998 1.00 0.00 H new ATOM 1160 N THR A 78 70.565 4.563 0.183 1.00 0.00 N ATOM 1161 CA THR A 78 70.177 5.913 0.699 1.00 0.00 C ATOM 1162 C THR A 78 69.027 5.790 1.704 1.00 0.00 C ATOM 1163 O THR A 78 68.113 5.007 1.513 1.00 0.00 O ATOM 1164 CB THR A 78 69.725 6.694 -0.535 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.702 6.569 -1.558 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.550 8.169 -0.172 1.00 0.00 C ATOM 0 H THR A 78 69.795 4.017 -0.204 1.00 0.00 H new ATOM 0 HA THR A 78 70.999 6.406 1.217 1.00 0.00 H new ATOM 0 HB THR A 78 68.775 6.294 -0.889 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.412 7.068 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.228 8.725 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.799 8.264 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.499 8.571 0.184 1.00 0.00 H new ATOM 1174 N LEU A 79 69.078 6.560 2.768 1.00 0.00 N ATOM 1175 CA LEU A 79 67.975 6.550 3.779 1.00 0.00 C ATOM 1176 C LEU A 79 67.028 7.729 3.535 1.00 0.00 C ATOM 1177 O LEU A 79 67.457 8.867 3.466 1.00 0.00 O ATOM 1178 CB LEU A 79 68.674 6.697 5.133 1.00 0.00 C ATOM 1179 CG LEU A 79 69.495 5.440 5.427 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.519 5.743 6.523 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.564 4.319 5.898 1.00 0.00 C ATOM 0 H LEU A 79 69.844 7.199 2.979 1.00 0.00 H new ATOM 0 HA LEU A 79 67.375 5.641 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.322 7.573 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.936 6.853 5.919 1.00 0.00 H new ATOM 0 HG LEU A 79 70.013 5.127 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 79 71.104 4.847 6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.183 6.540 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.000 6.057 7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.149 3.424 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.045 4.633 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.834 4.101 5.119 1.00 0.00 H new ATOM 1193 N VAL A 80 65.749 7.455 3.408 1.00 0.00 N ATOM 1194 CA VAL A 80 64.748 8.544 3.159 1.00 0.00 C ATOM 1195 C VAL A 80 64.162 9.013 4.498 1.00 0.00 C ATOM 1196 O VAL A 80 63.828 8.208 5.350 1.00 0.00 O ATOM 1197 CB VAL A 80 63.661 7.913 2.266 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.568 8.941 1.947 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.279 7.436 0.944 1.00 0.00 C ATOM 0 H VAL A 80 65.353 6.517 3.467 1.00 0.00 H new ATOM 0 HA VAL A 80 65.189 9.416 2.676 1.00 0.00 H new ATOM 0 HB VAL A 80 63.228 7.070 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.808 8.480 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.110 9.285 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.008 9.790 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.504 6.992 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.723 8.284 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.049 6.693 1.150 1.00 0.00 H new