USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 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 -27:sc= 0.344 USER MOD Set 1.2: A 75 THR OG1 : rot -67:sc= 0.601 USER MOD Set 2.1: A 44 THR OG1 : rot -169:sc= 0.284 USER MOD Set 2.2: A 63 GLN : amide:sc= 0.0326 X(o=-1.6,f=-2) USER MOD Set 2.3: A 67 SER OG : rot 69:sc= -1.9! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.0126 (180deg=-0.0728) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.871 K(o=-0.87,f=-0.28) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= -0.0301 (180deg=-0.376) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.712 -0.021 -9.391 1.00 0.00 N ATOM 76 CA SER A 13 72.527 -0.544 -8.642 1.00 0.00 C ATOM 77 C SER A 13 72.354 0.222 -7.328 1.00 0.00 C ATOM 78 O SER A 13 73.317 0.708 -6.759 1.00 0.00 O ATOM 79 CB SER A 13 72.849 -2.013 -8.368 1.00 0.00 C ATOM 80 OG SER A 13 74.102 -2.103 -7.703 1.00 0.00 O ATOM 0 HA SER A 13 71.599 -0.428 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.066 -2.461 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.880 -2.571 -9.304 1.00 0.00 H new ATOM 0 HG SER A 13 74.659 -1.335 -7.949 1.00 0.00 H new ATOM 86 N GLU A 14 71.134 0.327 -6.849 1.00 0.00 N ATOM 87 CA GLU A 14 70.864 1.119 -5.610 1.00 0.00 C ATOM 88 C GLU A 14 69.627 0.582 -4.881 1.00 0.00 C ATOM 89 O GLU A 14 68.717 0.056 -5.498 1.00 0.00 O ATOM 90 CB GLU A 14 70.616 2.547 -6.101 1.00 0.00 C ATOM 91 CG GLU A 14 70.577 3.501 -4.905 1.00 0.00 C ATOM 92 CD GLU A 14 70.201 4.906 -5.382 1.00 0.00 C ATOM 93 OE1 GLU A 14 69.274 5.016 -6.169 1.00 0.00 O ATOM 94 OE2 GLU A 14 70.845 5.848 -4.952 1.00 0.00 O ATOM 0 H GLU A 14 70.311 -0.106 -7.268 1.00 0.00 H new ATOM 0 HA GLU A 14 71.691 1.063 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.403 2.847 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.675 2.596 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.853 3.150 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.548 3.521 -4.411 1.00 0.00 H new ATOM 101 N LEU A 15 69.601 0.713 -3.574 1.00 0.00 N ATOM 102 CA LEU A 15 68.385 0.349 -2.783 1.00 0.00 C ATOM 103 C LEU A 15 67.909 1.552 -1.962 1.00 0.00 C ATOM 104 O LEU A 15 68.688 2.183 -1.267 1.00 0.00 O ATOM 105 CB LEU A 15 68.838 -0.784 -1.861 1.00 0.00 C ATOM 106 CG LEU A 15 67.620 -1.402 -1.172 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.829 -2.234 -2.183 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.085 -2.303 -0.026 1.00 0.00 C ATOM 0 H LEU A 15 70.382 1.061 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 15 67.552 0.049 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.368 -1.544 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.536 -0.403 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 15 66.985 -0.609 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.961 -2.674 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.497 -1.594 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.464 -3.027 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.218 -2.744 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.720 -3.096 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.649 -1.712 0.695 1.00 0.00 H new ATOM 120 N LYS A 16 66.637 1.869 -2.048 1.00 0.00 N ATOM 121 CA LYS A 16 66.061 2.981 -1.232 1.00 0.00 C ATOM 122 C LYS A 16 65.307 2.414 -0.027 1.00 0.00 C ATOM 123 O LYS A 16 64.336 1.695 -0.188 1.00 0.00 O ATOM 124 CB LYS A 16 65.091 3.696 -2.177 1.00 0.00 C ATOM 125 CG LYS A 16 65.840 4.764 -2.976 1.00 0.00 C ATOM 126 CD LYS A 16 65.982 6.026 -2.123 1.00 0.00 C ATOM 127 CE LYS A 16 66.543 7.163 -2.979 1.00 0.00 C ATOM 128 NZ LYS A 16 66.505 8.362 -2.096 1.00 0.00 N ATOM 0 H LYS A 16 65.968 1.397 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 16 66.828 3.651 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.632 2.976 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.284 4.155 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 16 66.824 4.395 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 16 65.301 4.991 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 16 65.013 6.310 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.643 5.833 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.560 6.946 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 16 65.944 7.314 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.875 9.185 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.524 8.548 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 67.090 8.191 -1.253 1.00 0.00 H new ATOM 142 N LEU A 17 65.752 2.735 1.168 1.00 0.00 N ATOM 143 CA LEU A 17 65.090 2.211 2.405 1.00 0.00 C ATOM 144 C LEU A 17 64.496 3.363 3.219 1.00 0.00 C ATOM 145 O LEU A 17 64.976 4.481 3.158 1.00 0.00 O ATOM 146 CB LEU A 17 66.206 1.527 3.198 1.00 0.00 C ATOM 147 CG LEU A 17 66.692 0.287 2.444 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.058 -0.135 2.990 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.690 -0.855 2.641 1.00 0.00 C ATOM 0 H LEU A 17 66.553 3.343 1.338 1.00 0.00 H new ATOM 0 HA LEU A 17 64.274 1.528 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 17 67.034 2.219 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.842 1.244 4.186 1.00 0.00 H new ATOM 0 HG LEU A 17 66.778 0.516 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.407 -1.018 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.771 0.678 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.970 -0.365 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.035 -1.739 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.605 -1.086 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.716 -0.554 2.256 1.00 0.00 H new ATOM 161 N LYS A 18 63.457 3.088 3.977 1.00 0.00 N ATOM 162 CA LYS A 18 62.888 4.117 4.903 1.00 0.00 C ATOM 163 C LYS A 18 62.539 3.472 6.259 1.00 0.00 C ATOM 164 O LYS A 18 61.957 2.402 6.271 1.00 0.00 O ATOM 165 CB LYS A 18 61.622 4.618 4.207 1.00 0.00 C ATOM 166 CG LYS A 18 61.079 5.840 4.952 1.00 0.00 C ATOM 167 CD LYS A 18 59.664 6.151 4.460 1.00 0.00 C ATOM 168 CE LYS A 18 58.661 5.252 5.186 1.00 0.00 C ATOM 169 NZ LYS A 18 57.382 6.017 5.173 1.00 0.00 N ATOM 0 H LYS A 18 62.978 2.188 3.992 1.00 0.00 H new ATOM 0 HA LYS A 18 63.589 4.927 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.842 4.878 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.870 3.829 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 18 61.069 5.650 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.730 6.699 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.427 7.199 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 18 59.599 5.991 3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.553 4.292 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.985 5.041 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.643 5.465 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.514 6.923 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.095 6.197 4.190 1.00 0.00 H new ATOM 183 N PRO A 19 62.894 4.121 7.364 1.00 0.00 N ATOM 184 CA PRO A 19 62.559 3.563 8.703 1.00 0.00 C ATOM 185 C PRO A 19 61.083 3.813 9.030 1.00 0.00 C ATOM 186 O PRO A 19 60.538 4.849 8.692 1.00 0.00 O ATOM 187 CB PRO A 19 63.464 4.343 9.656 1.00 0.00 C ATOM 188 CG PRO A 19 63.710 5.647 8.973 1.00 0.00 C ATOM 189 CD PRO A 19 63.627 5.400 7.490 1.00 0.00 C ATOM 0 HA PRO A 19 62.709 2.485 8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 19 62.985 4.489 10.624 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.397 3.811 9.839 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.971 6.387 9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.689 6.043 9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.102 6.209 6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.619 5.334 7.043 1.00 0.00 H new ATOM 197 N LEU A 20 60.443 2.866 9.680 1.00 0.00 N ATOM 198 CA LEU A 20 59.025 3.067 10.132 1.00 0.00 C ATOM 199 C LEU A 20 58.910 3.911 11.439 1.00 0.00 C ATOM 200 O LEU A 20 58.108 4.829 11.431 1.00 0.00 O ATOM 201 CB LEU A 20 58.403 1.666 10.263 1.00 0.00 C ATOM 202 CG LEU A 20 58.301 1.022 8.879 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.007 -0.472 9.032 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.171 1.685 8.090 1.00 0.00 C ATOM 0 H LEU A 20 60.844 1.959 9.918 1.00 0.00 H new ATOM 0 HA LEU A 20 58.476 3.660 9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.012 1.046 10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.415 1.736 10.717 1.00 0.00 H new ATOM 0 HG LEU A 20 59.243 1.155 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 20 57.934 -0.931 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 20 58.812 -0.945 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.065 -0.605 9.565 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.098 1.226 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.229 1.553 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.379 2.749 7.981 1.00 0.00 H new ATOM 216 N PRO A 21 59.658 3.636 12.528 1.00 0.00 N ATOM 217 CA PRO A 21 59.707 4.630 13.645 1.00 0.00 C ATOM 218 C PRO A 21 60.474 5.881 13.201 1.00 0.00 C ATOM 219 O PRO A 21 61.175 5.858 12.204 1.00 0.00 O ATOM 220 CB PRO A 21 60.449 3.906 14.770 1.00 0.00 C ATOM 221 CG PRO A 21 61.255 2.859 14.084 1.00 0.00 C ATOM 222 CD PRO A 21 60.478 2.446 12.867 1.00 0.00 C ATOM 0 HA PRO A 21 58.718 4.964 13.957 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.086 4.592 15.329 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.753 3.465 15.483 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.235 3.246 13.805 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.424 2.007 14.743 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.141 2.174 12.046 1.00 0.00 H new ATOM 0 HD3 PRO A 21 59.852 1.578 13.072 1.00 0.00 H new ATOM 230 N LYS A 22 60.340 6.962 13.937 1.00 0.00 N ATOM 231 CA LYS A 22 61.054 8.231 13.572 1.00 0.00 C ATOM 232 C LYS A 22 62.485 8.205 14.116 1.00 0.00 C ATOM 233 O LYS A 22 62.720 8.525 15.269 1.00 0.00 O ATOM 234 CB LYS A 22 60.250 9.360 14.226 1.00 0.00 C ATOM 235 CG LYS A 22 58.870 9.454 13.570 1.00 0.00 C ATOM 236 CD LYS A 22 58.102 10.636 14.164 1.00 0.00 C ATOM 237 CE LYS A 22 56.671 10.640 13.622 1.00 0.00 C ATOM 238 NZ LYS A 22 55.931 9.680 14.488 1.00 0.00 N ATOM 0 H LYS A 22 59.765 7.020 14.777 1.00 0.00 H new ATOM 0 HA LYS A 22 61.123 8.363 12.492 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.144 9.173 15.295 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.780 10.307 14.119 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.976 9.580 12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.316 8.529 13.730 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.090 10.566 15.252 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.601 11.572 13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.232 11.637 13.672 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.643 10.332 12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.911 9.877 14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.114 8.709 14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.250 9.783 15.472 1.00 0.00 H new ATOM 252 N VAL A 23 63.435 7.825 13.290 1.00 0.00 N ATOM 253 CA VAL A 23 64.863 7.759 13.735 1.00 0.00 C ATOM 254 C VAL A 23 65.800 8.141 12.576 1.00 0.00 C ATOM 255 O VAL A 23 65.546 7.803 11.433 1.00 0.00 O ATOM 256 CB VAL A 23 65.071 6.301 14.199 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.858 5.314 13.042 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.489 6.131 14.755 1.00 0.00 C ATOM 0 H VAL A 23 63.278 7.556 12.319 1.00 0.00 H new ATOM 0 HA VAL A 23 65.088 8.459 14.540 1.00 0.00 H new ATOM 0 HB VAL A 23 64.338 6.087 14.976 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.011 4.296 13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.842 5.415 12.660 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.569 5.529 12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.631 5.101 15.081 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.215 6.369 13.978 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.631 6.802 15.602 1.00 0.00 H new ATOM 268 N GLU A 24 66.871 8.840 12.876 1.00 0.00 N ATOM 269 CA GLU A 24 67.876 9.203 11.829 1.00 0.00 C ATOM 270 C GLU A 24 69.277 8.772 12.272 1.00 0.00 C ATOM 271 O GLU A 24 69.804 9.282 13.246 1.00 0.00 O ATOM 272 CB GLU A 24 67.798 10.726 11.713 1.00 0.00 C ATOM 273 CG GLU A 24 66.446 11.128 11.118 1.00 0.00 C ATOM 274 CD GLU A 24 66.388 12.648 10.951 1.00 0.00 C ATOM 275 OE1 GLU A 24 67.363 13.211 10.478 1.00 0.00 O ATOM 276 OE2 GLU A 24 65.371 13.224 11.301 1.00 0.00 O ATOM 0 H GLU A 24 67.092 9.177 13.813 1.00 0.00 H new ATOM 0 HA GLU A 24 67.676 8.711 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.925 11.182 12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.608 11.095 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.303 10.641 10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.638 10.793 11.768 1.00 0.00 H new ATOM 283 N LEU A 25 69.874 7.839 11.563 1.00 0.00 N ATOM 284 CA LEU A 25 71.214 7.307 11.967 1.00 0.00 C ATOM 285 C LEU A 25 72.337 8.089 11.259 1.00 0.00 C ATOM 286 O LEU A 25 72.173 8.455 10.110 1.00 0.00 O ATOM 287 CB LEU A 25 71.219 5.843 11.516 1.00 0.00 C ATOM 288 CG LEU A 25 70.211 5.047 12.348 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.994 3.674 11.707 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.750 4.866 13.770 1.00 0.00 C ATOM 0 H LEU A 25 69.486 7.422 10.717 1.00 0.00 H new ATOM 0 HA LEU A 25 71.385 7.404 13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.965 5.777 10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 25 72.217 5.419 11.632 1.00 0.00 H new ATOM 0 HG LEU A 25 69.264 5.586 12.385 1.00 0.00 H new ATOM 0 HD11 LEU A 25 69.276 3.106 12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.610 3.802 10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.941 3.136 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 25 70.032 4.299 14.362 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.697 4.327 13.734 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.906 5.843 14.227 1.00 0.00 H new ATOM 302 N PRO A 26 73.449 8.332 11.949 1.00 0.00 N ATOM 303 CA PRO A 26 74.615 9.021 11.309 1.00 0.00 C ATOM 304 C PRO A 26 75.134 8.241 10.079 1.00 0.00 C ATOM 305 O PRO A 26 74.776 7.092 9.898 1.00 0.00 O ATOM 306 CB PRO A 26 75.674 9.051 12.414 1.00 0.00 C ATOM 307 CG PRO A 26 74.903 8.914 13.681 1.00 0.00 C ATOM 308 CD PRO A 26 73.740 8.021 13.365 1.00 0.00 C ATOM 0 HA PRO A 26 74.354 10.012 10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.391 8.239 12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.241 9.982 12.394 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.521 8.484 14.469 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.562 9.886 14.037 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.991 6.969 13.503 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.885 8.231 14.007 1.00 0.00 H new ATOM 316 N PRO A 27 75.966 8.883 9.269 1.00 0.00 N ATOM 317 CA PRO A 27 76.410 8.279 7.974 1.00 0.00 C ATOM 318 C PRO A 27 77.290 7.031 8.168 1.00 0.00 C ATOM 319 O PRO A 27 77.587 6.349 7.204 1.00 0.00 O ATOM 320 CB PRO A 27 77.215 9.405 7.305 1.00 0.00 C ATOM 321 CG PRO A 27 76.823 10.645 8.034 1.00 0.00 C ATOM 322 CD PRO A 27 76.568 10.219 9.447 1.00 0.00 C ATOM 0 HA PRO A 27 75.562 7.933 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.287 9.224 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.981 9.481 6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.614 11.394 7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.933 11.094 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.487 10.176 10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.894 10.903 9.963 1.00 0.00 H new ATOM 330 N ASP A 28 77.717 6.728 9.379 1.00 0.00 N ATOM 331 CA ASP A 28 78.549 5.496 9.603 1.00 0.00 C ATOM 332 C ASP A 28 77.667 4.236 9.595 1.00 0.00 C ATOM 333 O ASP A 28 78.117 3.163 9.224 1.00 0.00 O ATOM 334 CB ASP A 28 79.256 5.685 10.958 1.00 0.00 C ATOM 335 CG ASP A 28 78.240 5.855 12.095 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.507 4.914 12.354 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.214 6.921 12.687 1.00 0.00 O ATOM 0 H ASP A 28 77.526 7.278 10.216 1.00 0.00 H new ATOM 0 HA ASP A 28 79.281 5.361 8.807 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.893 4.824 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.906 6.559 10.913 1.00 0.00 H new ATOM 342 N PHE A 29 76.417 4.361 9.994 1.00 0.00 N ATOM 343 CA PHE A 29 75.502 3.163 10.046 1.00 0.00 C ATOM 344 C PHE A 29 75.347 2.526 8.660 1.00 0.00 C ATOM 345 O PHE A 29 75.421 1.320 8.523 1.00 0.00 O ATOM 346 CB PHE A 29 74.148 3.683 10.551 1.00 0.00 C ATOM 347 CG PHE A 29 74.016 3.626 12.053 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.669 4.600 12.868 1.00 0.00 C ATOM 349 CD2 PHE A 29 73.238 2.591 12.659 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.544 4.540 14.291 1.00 0.00 C ATOM 351 CE2 PHE A 29 73.113 2.531 14.081 1.00 0.00 C ATOM 352 CZ PHE A 29 73.766 3.506 14.898 1.00 0.00 C ATOM 0 H PHE A 29 75.990 5.240 10.286 1.00 0.00 H new ATOM 0 HA PHE A 29 75.906 2.392 10.701 1.00 0.00 H new ATOM 0 HB2 PHE A 29 74.014 4.713 10.219 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.348 3.096 10.099 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.257 5.381 12.410 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.745 1.855 12.042 1.00 0.00 H new ATOM 0 HE1 PHE A 29 75.038 5.276 14.908 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.525 1.749 14.539 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.671 3.461 15.973 1.00 0.00 H new ATOM 362 N VAL A 30 75.144 3.329 7.636 1.00 0.00 N ATOM 363 CA VAL A 30 74.799 2.775 6.278 1.00 0.00 C ATOM 364 C VAL A 30 75.907 1.827 5.777 1.00 0.00 C ATOM 365 O VAL A 30 75.635 0.860 5.087 1.00 0.00 O ATOM 366 CB VAL A 30 74.620 4.003 5.356 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.937 4.778 5.211 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.136 3.546 3.975 1.00 0.00 C ATOM 0 H VAL A 30 75.202 4.346 7.681 1.00 0.00 H new ATOM 0 HA VAL A 30 73.889 2.176 6.300 1.00 0.00 H new ATOM 0 HB VAL A 30 73.879 4.664 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.784 5.637 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.266 5.122 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.697 4.126 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.011 4.414 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.871 2.870 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.182 3.029 4.077 1.00 0.00 H new ATOM 378 N ASP A 31 77.143 2.106 6.133 1.00 0.00 N ATOM 379 CA ASP A 31 78.278 1.210 5.733 1.00 0.00 C ATOM 380 C ASP A 31 78.194 -0.116 6.496 1.00 0.00 C ATOM 381 O ASP A 31 78.400 -1.174 5.927 1.00 0.00 O ATOM 382 CB ASP A 31 79.562 1.960 6.106 1.00 0.00 C ATOM 383 CG ASP A 31 80.769 1.237 5.505 1.00 0.00 C ATOM 384 OD1 ASP A 31 81.063 1.480 4.346 1.00 0.00 O ATOM 385 OD2 ASP A 31 81.380 0.454 6.213 1.00 0.00 O ATOM 0 H ASP A 31 77.414 2.919 6.686 1.00 0.00 H new ATOM 0 HA ASP A 31 78.250 0.977 4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.518 2.985 5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 31 79.661 2.016 7.190 1.00 0.00 H new ATOM 390 N VAL A 32 77.885 -0.059 7.773 1.00 0.00 N ATOM 391 CA VAL A 32 77.835 -1.313 8.606 1.00 0.00 C ATOM 392 C VAL A 32 76.645 -2.178 8.156 1.00 0.00 C ATOM 393 O VAL A 32 76.755 -3.389 8.067 1.00 0.00 O ATOM 394 CB VAL A 32 77.674 -0.857 10.073 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.652 -2.074 11.007 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.848 0.043 10.476 1.00 0.00 C ATOM 0 H VAL A 32 77.665 0.800 8.276 1.00 0.00 H new ATOM 0 HA VAL A 32 78.736 -1.916 8.495 1.00 0.00 H new ATOM 0 HB VAL A 32 76.736 -0.308 10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.538 -1.739 12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.816 -2.722 10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.586 -2.627 10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.725 0.359 11.512 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.782 -0.510 10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.873 0.920 9.829 1.00 0.00 H new ATOM 406 N ILE A 33 75.520 -1.559 7.871 1.00 0.00 N ATOM 407 CA ILE A 33 74.320 -2.321 7.369 1.00 0.00 C ATOM 408 C ILE A 33 74.641 -2.963 6.006 1.00 0.00 C ATOM 409 O ILE A 33 74.296 -4.105 5.759 1.00 0.00 O ATOM 410 CB ILE A 33 73.181 -1.278 7.251 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.870 -0.652 8.630 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.905 -1.923 6.683 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.435 -1.715 9.653 1.00 0.00 C ATOM 0 H ILE A 33 75.378 -0.553 7.964 1.00 0.00 H new ATOM 0 HA ILE A 33 74.033 -3.133 8.038 1.00 0.00 H new ATOM 0 HB ILE A 33 73.517 -0.496 6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.753 -0.131 9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 33 72.082 0.093 8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 33 71.119 -1.171 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 33 72.112 -2.329 5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.578 -2.726 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 33 72.225 -1.236 10.609 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.537 -2.218 9.295 1.00 0.00 H new ATOM 0 HD13 ILE A 33 73.234 -2.445 9.781 1.00 0.00 H new ATOM 425 N ARG A 34 75.301 -2.233 5.132 1.00 0.00 N ATOM 426 CA ARG A 34 75.695 -2.790 3.786 1.00 0.00 C ATOM 427 C ARG A 34 76.569 -4.045 3.939 1.00 0.00 C ATOM 428 O ARG A 34 76.382 -5.022 3.237 1.00 0.00 O ATOM 429 CB ARG A 34 76.489 -1.675 3.094 1.00 0.00 C ATOM 430 CG ARG A 34 76.726 -2.039 1.626 1.00 0.00 C ATOM 431 CD ARG A 34 77.501 -0.910 0.938 1.00 0.00 C ATOM 432 NE ARG A 34 78.898 -0.979 1.488 1.00 0.00 N ATOM 433 CZ ARG A 34 79.930 -0.444 0.857 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.811 0.192 -0.288 1.00 0.00 N ATOM 435 NH2 ARG A 34 81.115 -0.547 1.396 1.00 0.00 N ATOM 0 H ARG A 34 75.587 -1.267 5.292 1.00 0.00 H new ATOM 0 HA ARG A 34 74.818 -3.087 3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.944 -0.733 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.443 -1.528 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.285 -2.972 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.773 -2.200 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.500 -1.038 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.047 0.059 1.145 1.00 0.00 H new ATOM 0 HE ARG A 34 79.055 -1.454 2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.894 0.288 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.635 0.589 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 34 81.230 -1.032 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.925 -0.142 0.927 1.00 0.00 H new ATOM 449 N ILE A 35 77.513 -4.018 4.856 1.00 0.00 N ATOM 450 CA ILE A 35 78.438 -5.191 5.050 1.00 0.00 C ATOM 451 C ILE A 35 77.642 -6.409 5.553 1.00 0.00 C ATOM 452 O ILE A 35 77.878 -7.525 5.122 1.00 0.00 O ATOM 453 CB ILE A 35 79.487 -4.734 6.091 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.288 -3.554 5.531 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.459 -5.875 6.416 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.966 -2.805 6.679 1.00 0.00 C ATOM 0 H ILE A 35 77.684 -3.231 5.482 1.00 0.00 H new ATOM 0 HA ILE A 35 78.921 -5.493 4.121 1.00 0.00 H new ATOM 0 HB ILE A 35 78.961 -4.438 6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 35 81.037 -3.912 4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.629 -2.881 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 35 81.189 -5.533 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.904 -6.721 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.976 -6.183 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.536 -1.966 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.208 -2.434 7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.638 -3.481 7.208 1.00 0.00 H new ATOM 468 N LYS A 36 76.717 -6.195 6.460 1.00 0.00 N ATOM 469 CA LYS A 36 75.878 -7.327 6.985 1.00 0.00 C ATOM 470 C LYS A 36 74.984 -7.908 5.882 1.00 0.00 C ATOM 471 O LYS A 36 74.849 -9.114 5.764 1.00 0.00 O ATOM 472 CB LYS A 36 75.015 -6.729 8.102 1.00 0.00 C ATOM 473 CG LYS A 36 75.910 -6.278 9.259 1.00 0.00 C ATOM 474 CD LYS A 36 76.333 -7.496 10.083 1.00 0.00 C ATOM 475 CE LYS A 36 75.212 -7.869 11.056 1.00 0.00 C ATOM 476 NZ LYS A 36 75.890 -8.602 12.161 1.00 0.00 N ATOM 0 H LYS A 36 76.505 -5.282 6.862 1.00 0.00 H new ATOM 0 HA LYS A 36 76.505 -8.142 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.444 -5.883 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.294 -7.468 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.790 -5.764 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.376 -5.567 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 36 76.551 -8.336 9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 36 77.248 -7.276 10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 36 74.700 -6.981 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 36 74.460 -8.492 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 75.186 -8.891 12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 76.363 -9.446 11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 76.595 -7.982 12.608 1.00 0.00 H new ATOM 490 N LEU A 37 74.380 -7.061 5.079 1.00 0.00 N ATOM 491 CA LEU A 37 73.254 -7.512 4.195 1.00 0.00 C ATOM 492 C LEU A 37 73.758 -8.026 2.839 1.00 0.00 C ATOM 493 O LEU A 37 73.117 -8.859 2.226 1.00 0.00 O ATOM 494 CB LEU A 37 72.371 -6.276 3.997 1.00 0.00 C ATOM 495 CG LEU A 37 71.593 -5.985 5.283 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.928 -4.613 5.173 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.515 -7.055 5.485 1.00 0.00 C ATOM 0 H LEU A 37 74.619 -6.073 4.998 1.00 0.00 H new ATOM 0 HA LEU A 37 72.714 -8.342 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.986 -5.417 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.679 -6.440 3.171 1.00 0.00 H new ATOM 0 HG LEU A 37 72.278 -5.995 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.373 -4.403 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.692 -3.849 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.244 -4.607 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.962 -6.846 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.830 -7.046 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.985 -8.035 5.561 1.00 0.00 H new ATOM 509 N GLN A 38 74.889 -7.536 2.366 1.00 0.00 N ATOM 510 CA GLN A 38 75.380 -7.880 0.974 1.00 0.00 C ATOM 511 C GLN A 38 75.381 -9.398 0.708 1.00 0.00 C ATOM 512 O GLN A 38 75.644 -10.190 1.597 1.00 0.00 O ATOM 513 CB GLN A 38 76.810 -7.316 0.871 1.00 0.00 C ATOM 514 CG GLN A 38 77.720 -7.922 1.949 1.00 0.00 C ATOM 515 CD GLN A 38 79.119 -7.312 1.842 1.00 0.00 C ATOM 516 OE1 GLN A 38 80.102 -8.025 1.788 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.251 -6.015 1.807 1.00 0.00 N ATOM 0 H GLN A 38 75.500 -6.907 2.886 1.00 0.00 H new ATOM 0 HA GLN A 38 74.714 -7.449 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.219 -7.529 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.786 -6.232 0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.304 -7.732 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.774 -9.004 1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.426 -5.417 1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.179 -5.599 1.734 1.00 0.00 H new ATOM 526 N GLY A 39 75.088 -9.789 -0.512 1.00 0.00 N ATOM 527 CA GLY A 39 74.939 -11.241 -0.848 1.00 0.00 C ATOM 528 C GLY A 39 73.463 -11.659 -0.803 1.00 0.00 C ATOM 529 O GLY A 39 73.071 -12.600 -1.474 1.00 0.00 O ATOM 0 H GLY A 39 74.944 -9.155 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.347 -11.434 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.514 -11.843 -0.145 1.00 0.00 H new ATOM 533 N LYS A 40 72.648 -10.977 -0.026 1.00 0.00 N ATOM 534 CA LYS A 40 71.179 -11.274 -0.005 1.00 0.00 C ATOM 535 C LYS A 40 70.461 -10.442 -1.072 1.00 0.00 C ATOM 536 O LYS A 40 70.938 -9.393 -1.469 1.00 0.00 O ATOM 537 CB LYS A 40 70.699 -10.879 1.395 1.00 0.00 C ATOM 538 CG LYS A 40 71.313 -11.823 2.431 1.00 0.00 C ATOM 539 CD LYS A 40 70.731 -11.512 3.811 1.00 0.00 C ATOM 540 CE LYS A 40 71.402 -12.401 4.860 1.00 0.00 C ATOM 541 NZ LYS A 40 71.081 -11.761 6.167 1.00 0.00 N ATOM 0 H LYS A 40 72.941 -10.224 0.597 1.00 0.00 H new ATOM 0 HA LYS A 40 70.971 -12.323 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.984 -9.849 1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.611 -10.926 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.107 -12.859 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.397 -11.708 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.888 -10.461 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.654 -11.682 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 40 71.021 -13.421 4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 40 72.479 -12.456 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 71.507 -12.313 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 71.462 -10.793 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 70.049 -11.729 6.294 1.00 0.00 H new ATOM 555 N THR A 41 69.323 -10.912 -1.531 1.00 0.00 N ATOM 556 CA THR A 41 68.569 -10.191 -2.603 1.00 0.00 C ATOM 557 C THR A 41 67.441 -9.358 -1.990 1.00 0.00 C ATOM 558 O THR A 41 66.861 -9.733 -0.987 1.00 0.00 O ATOM 559 CB THR A 41 67.995 -11.293 -3.497 1.00 0.00 C ATOM 560 OG1 THR A 41 69.014 -12.231 -3.813 1.00 0.00 O ATOM 561 CG2 THR A 41 67.453 -10.674 -4.787 1.00 0.00 C ATOM 0 H THR A 41 68.883 -11.772 -1.204 1.00 0.00 H new ATOM 0 HA THR A 41 69.205 -9.503 -3.161 1.00 0.00 H new ATOM 0 HB THR A 41 67.187 -11.801 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.644 -12.936 -4.384 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.044 -11.459 -5.423 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.668 -9.958 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.260 -10.164 -5.313 1.00 0.00 H new ATOM 569 N VAL A 42 67.135 -8.233 -2.594 1.00 0.00 N ATOM 570 CA VAL A 42 66.077 -7.322 -2.050 1.00 0.00 C ATOM 571 C VAL A 42 65.113 -6.900 -3.165 1.00 0.00 C ATOM 572 O VAL A 42 65.529 -6.630 -4.279 1.00 0.00 O ATOM 573 CB VAL A 42 66.818 -6.100 -1.473 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.688 -6.540 -0.294 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.708 -5.438 -2.538 1.00 0.00 C ATOM 0 H VAL A 42 67.579 -7.904 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 42 65.479 -7.815 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 42 66.074 -5.375 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.212 -5.676 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 42 67.058 -6.980 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.415 -7.278 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.218 -4.579 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.446 -6.157 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 42 67.091 -5.108 -3.374 1.00 0.00 H new ATOM 585 N ARG A 43 63.835 -6.849 -2.861 1.00 0.00 N ATOM 586 CA ARG A 43 62.827 -6.334 -3.838 1.00 0.00 C ATOM 587 C ARG A 43 61.839 -5.403 -3.128 1.00 0.00 C ATOM 588 O ARG A 43 61.549 -5.576 -1.957 1.00 0.00 O ATOM 589 CB ARG A 43 62.111 -7.580 -4.361 1.00 0.00 C ATOM 590 CG ARG A 43 61.222 -7.196 -5.547 1.00 0.00 C ATOM 591 CD ARG A 43 60.448 -8.427 -6.024 1.00 0.00 C ATOM 592 NE ARG A 43 59.735 -7.977 -7.262 1.00 0.00 N ATOM 593 CZ ARG A 43 58.642 -7.235 -7.219 1.00 0.00 C ATOM 594 NH1 ARG A 43 58.097 -6.840 -6.088 1.00 0.00 N ATOM 595 NH2 ARG A 43 58.080 -6.880 -8.342 1.00 0.00 N ATOM 0 H ARG A 43 63.446 -7.147 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 43 63.284 -5.760 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.840 -8.330 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.508 -8.025 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.528 -6.408 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.832 -6.799 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.120 -9.259 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.745 -8.770 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 43 60.106 -8.253 -8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 43 58.519 -7.106 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 43 57.253 -6.268 -6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 43 58.485 -7.175 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 43 57.236 -6.308 -8.331 1.00 0.00 H new ATOM 609 N THR A 44 61.319 -4.420 -3.834 1.00 0.00 N ATOM 610 CA THR A 44 60.416 -3.391 -3.196 1.00 0.00 C ATOM 611 C THR A 44 59.230 -4.051 -2.472 1.00 0.00 C ATOM 612 O THR A 44 58.645 -4.997 -2.967 1.00 0.00 O ATOM 613 CB THR A 44 59.901 -2.522 -4.350 1.00 0.00 C ATOM 614 OG1 THR A 44 60.995 -2.131 -5.168 1.00 0.00 O ATOM 615 CG2 THR A 44 59.211 -1.277 -3.791 1.00 0.00 C ATOM 0 H THR A 44 61.481 -4.283 -4.832 1.00 0.00 H new ATOM 0 HA THR A 44 60.957 -2.813 -2.447 1.00 0.00 H new ATOM 0 HB THR A 44 59.186 -3.093 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.702 -1.439 -5.797 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.847 -0.662 -4.614 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.372 -1.577 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.922 -0.703 -3.197 1.00 0.00 H new ATOM 623 N GLY A 45 58.887 -3.548 -1.306 1.00 0.00 N ATOM 624 CA GLY A 45 57.706 -4.077 -0.553 1.00 0.00 C ATOM 625 C GLY A 45 58.140 -5.063 0.544 1.00 0.00 C ATOM 626 O GLY A 45 57.373 -5.339 1.451 1.00 0.00 O ATOM 0 H GLY A 45 59.382 -2.786 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.157 -3.249 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 45 57.025 -4.574 -1.243 1.00 0.00 H new ATOM 630 N ASP A 46 59.348 -5.595 0.476 1.00 0.00 N ATOM 631 CA ASP A 46 59.851 -6.494 1.575 1.00 0.00 C ATOM 632 C ASP A 46 59.995 -5.715 2.887 1.00 0.00 C ATOM 633 O ASP A 46 60.221 -4.518 2.878 1.00 0.00 O ATOM 634 CB ASP A 46 61.224 -7.001 1.119 1.00 0.00 C ATOM 635 CG ASP A 46 61.059 -7.974 -0.053 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.137 -8.773 -0.016 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.866 -7.906 -0.965 1.00 0.00 O ATOM 0 H ASP A 46 60.004 -5.445 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 46 59.156 -7.314 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.850 -6.161 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.731 -7.498 1.946 1.00 0.00 H new ATOM 642 N VAL A 47 59.866 -6.394 4.005 1.00 0.00 N ATOM 643 CA VAL A 47 60.065 -5.736 5.337 1.00 0.00 C ATOM 644 C VAL A 47 60.948 -6.635 6.215 1.00 0.00 C ATOM 645 O VAL A 47 60.721 -7.830 6.307 1.00 0.00 O ATOM 646 CB VAL A 47 58.654 -5.575 5.940 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.737 -4.888 7.308 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.781 -4.714 5.017 1.00 0.00 C ATOM 0 H VAL A 47 59.629 -7.385 4.051 1.00 0.00 H new ATOM 0 HA VAL A 47 60.562 -4.769 5.259 1.00 0.00 H new ATOM 0 HB VAL A 47 58.216 -6.567 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.735 -4.780 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.346 -5.491 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.190 -3.903 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.787 -4.607 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.235 -3.730 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.700 -5.193 4.041 1.00 0.00 H new ATOM 658 N ILE A 48 61.943 -6.061 6.853 1.00 0.00 N ATOM 659 CA ILE A 48 62.848 -6.860 7.746 1.00 0.00 C ATOM 660 C ILE A 48 63.138 -6.087 9.037 1.00 0.00 C ATOM 661 O ILE A 48 63.131 -4.869 9.050 1.00 0.00 O ATOM 662 CB ILE A 48 64.142 -7.118 6.944 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.808 -5.797 6.505 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.813 -7.960 5.706 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.751 -5.278 7.601 1.00 0.00 C ATOM 0 H ILE A 48 62.169 -5.068 6.793 1.00 0.00 H new ATOM 0 HA ILE A 48 62.387 -7.803 8.041 1.00 0.00 H new ATOM 0 HB ILE A 48 64.841 -7.651 7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.366 -5.954 5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 48 64.043 -5.050 6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.725 -8.144 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.382 -8.911 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.098 -7.425 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.211 -4.346 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.184 -5.101 8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.528 -6.018 7.793 1.00 0.00 H new ATOM 677 N GLY A 49 63.390 -6.795 10.118 1.00 0.00 N ATOM 678 CA GLY A 49 63.618 -6.132 11.440 1.00 0.00 C ATOM 679 C GLY A 49 65.097 -6.230 11.821 1.00 0.00 C ATOM 680 O GLY A 49 65.733 -7.245 11.597 1.00 0.00 O ATOM 0 H GLY A 49 63.447 -7.813 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.314 -5.086 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.004 -6.606 12.206 1.00 0.00 H new ATOM 684 N ILE A 50 65.640 -5.177 12.392 1.00 0.00 N ATOM 685 CA ILE A 50 67.057 -5.206 12.883 1.00 0.00 C ATOM 686 C ILE A 50 67.091 -4.775 14.357 1.00 0.00 C ATOM 687 O ILE A 50 66.413 -3.842 14.749 1.00 0.00 O ATOM 688 CB ILE A 50 67.825 -4.210 11.987 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.757 -4.660 10.521 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.300 -4.146 12.411 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.223 -3.522 9.610 1.00 0.00 C ATOM 0 H ILE A 50 65.156 -4.291 12.540 1.00 0.00 H new ATOM 0 HA ILE A 50 67.504 -6.199 12.828 1.00 0.00 H new ATOM 0 HB ILE A 50 67.366 -3.227 12.095 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.384 -5.539 10.371 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.737 -4.949 10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.832 -3.441 11.772 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.366 -3.818 13.448 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.750 -5.134 12.314 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.173 -3.845 8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.578 -2.655 9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.250 -3.255 9.858 1.00 0.00 H new ATOM 703 N SER A 51 67.871 -5.459 15.164 1.00 0.00 N ATOM 704 CA SER A 51 68.108 -5.003 16.572 1.00 0.00 C ATOM 705 C SER A 51 69.332 -4.082 16.631 1.00 0.00 C ATOM 706 O SER A 51 70.420 -4.472 16.247 1.00 0.00 O ATOM 707 CB SER A 51 68.367 -6.281 17.372 1.00 0.00 C ATOM 708 OG SER A 51 68.625 -5.944 18.728 1.00 0.00 O ATOM 0 H SER A 51 68.356 -6.318 14.905 1.00 0.00 H new ATOM 0 HA SER A 51 67.262 -4.440 16.967 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.504 -6.944 17.308 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.216 -6.821 16.952 1.00 0.00 H new ATOM 0 HG SER A 51 68.790 -6.762 19.243 1.00 0.00 H new ATOM 714 N ILE A 52 69.153 -2.870 17.109 1.00 0.00 N ATOM 715 CA ILE A 52 70.301 -1.910 17.226 1.00 0.00 C ATOM 716 C ILE A 52 70.323 -1.312 18.641 1.00 0.00 C ATOM 717 O ILE A 52 69.328 -0.800 19.121 1.00 0.00 O ATOM 718 CB ILE A 52 70.050 -0.819 16.163 1.00 0.00 C ATOM 719 CG1 ILE A 52 69.988 -1.449 14.762 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.187 0.212 16.184 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.439 -0.430 13.756 1.00 0.00 C ATOM 0 H ILE A 52 68.255 -2.503 17.425 1.00 0.00 H new ATOM 0 HA ILE A 52 71.265 -2.392 17.063 1.00 0.00 H new ATOM 0 HB ILE A 52 69.103 -0.331 16.392 1.00 0.00 H new ATOM 0 HG12 ILE A 52 70.982 -1.776 14.456 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.353 -2.334 14.780 1.00 0.00 H new ATOM 0 HG21 ILE A 52 70.999 0.976 15.430 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.238 0.678 17.168 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.133 -0.285 15.969 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.398 -0.883 12.765 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.437 -0.125 14.057 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.092 0.443 13.729 1.00 0.00 H new ATOM 733 N LEU A 53 71.461 -1.378 19.309 1.00 0.00 N ATOM 734 CA LEU A 53 71.639 -0.742 20.666 1.00 0.00 C ATOM 735 C LEU A 53 70.523 -1.156 21.641 1.00 0.00 C ATOM 736 O LEU A 53 70.130 -0.387 22.503 1.00 0.00 O ATOM 737 CB LEU A 53 71.607 0.773 20.422 1.00 0.00 C ATOM 738 CG LEU A 53 72.819 1.186 19.584 1.00 0.00 C ATOM 739 CD1 LEU A 53 72.634 2.624 19.092 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.084 1.102 20.440 1.00 0.00 C ATOM 0 H LEU A 53 72.292 -1.857 18.962 1.00 0.00 H new ATOM 0 HA LEU A 53 72.574 -1.063 21.125 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.686 1.049 19.908 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.612 1.305 21.374 1.00 0.00 H new ATOM 0 HG LEU A 53 72.913 0.517 18.728 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.497 2.918 18.495 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.733 2.687 18.482 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.540 3.292 19.948 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.947 1.396 19.843 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.989 1.771 21.296 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.218 0.079 20.792 1.00 0.00 H new ATOM 752 N GLY A 54 70.021 -2.362 21.503 1.00 0.00 N ATOM 753 CA GLY A 54 68.967 -2.870 22.435 1.00 0.00 C ATOM 754 C GLY A 54 67.597 -2.266 22.084 1.00 0.00 C ATOM 755 O GLY A 54 66.722 -2.204 22.929 1.00 0.00 O ATOM 0 H GLY A 54 70.301 -3.021 20.776 1.00 0.00 H new ATOM 0 HA2 GLY A 54 68.917 -3.957 22.378 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.230 -2.617 23.462 1.00 0.00 H new ATOM 759 N LYS A 55 67.403 -1.826 20.854 1.00 0.00 N ATOM 760 CA LYS A 55 66.091 -1.229 20.450 1.00 0.00 C ATOM 761 C LYS A 55 65.632 -1.824 19.117 1.00 0.00 C ATOM 762 O LYS A 55 66.403 -1.910 18.178 1.00 0.00 O ATOM 763 CB LYS A 55 66.366 0.270 20.302 1.00 0.00 C ATOM 764 CG LYS A 55 66.666 0.873 21.676 1.00 0.00 C ATOM 765 CD LYS A 55 66.846 2.386 21.540 1.00 0.00 C ATOM 766 CE LYS A 55 67.275 2.973 22.886 1.00 0.00 C ATOM 767 NZ LYS A 55 67.742 4.352 22.573 1.00 0.00 N ATOM 0 H LYS A 55 68.104 -1.858 20.114 1.00 0.00 H new ATOM 0 HA LYS A 55 65.304 -1.428 21.177 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.209 0.431 19.631 1.00 0.00 H new ATOM 0 HB3 LYS A 55 65.504 0.766 19.856 1.00 0.00 H new ATOM 0 HG2 LYS A 55 65.852 0.653 22.367 1.00 0.00 H new ATOM 0 HG3 LYS A 55 67.568 0.425 22.093 1.00 0.00 H new ATOM 0 HD2 LYS A 55 67.595 2.607 20.780 1.00 0.00 H new ATOM 0 HD3 LYS A 55 65.914 2.846 21.212 1.00 0.00 H new ATOM 0 HE2 LYS A 55 66.445 2.988 23.593 1.00 0.00 H new ATOM 0 HE3 LYS A 55 68.069 2.381 23.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 68.053 4.820 23.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 68.537 4.306 21.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 66.963 4.894 22.149 1.00 0.00 H new ATOM 781 N GLU A 56 64.385 -2.233 19.038 1.00 0.00 N ATOM 782 CA GLU A 56 63.859 -2.848 17.775 1.00 0.00 C ATOM 783 C GLU A 56 63.480 -1.758 16.768 1.00 0.00 C ATOM 784 O GLU A 56 62.736 -0.847 17.086 1.00 0.00 O ATOM 785 CB GLU A 56 62.616 -3.642 18.190 1.00 0.00 C ATOM 786 CG GLU A 56 62.157 -4.520 17.023 1.00 0.00 C ATOM 787 CD GLU A 56 60.848 -5.221 17.393 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.767 -5.739 18.494 1.00 0.00 O ATOM 789 OE2 GLU A 56 59.950 -5.227 16.568 1.00 0.00 O ATOM 0 H GLU A 56 63.707 -2.167 19.797 1.00 0.00 H new ATOM 0 HA GLU A 56 64.604 -3.483 17.296 1.00 0.00 H new ATOM 0 HB2 GLU A 56 62.840 -4.261 19.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 61.817 -2.961 18.482 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.016 -3.911 16.130 1.00 0.00 H new ATOM 0 HG3 GLU A 56 62.923 -5.259 16.787 1.00 0.00 H new ATOM 796 N VAL A 57 63.993 -1.851 15.561 1.00 0.00 N ATOM 797 CA VAL A 57 63.570 -0.918 14.466 1.00 0.00 C ATOM 798 C VAL A 57 63.136 -1.726 13.232 1.00 0.00 C ATOM 799 O VAL A 57 63.826 -2.634 12.805 1.00 0.00 O ATOM 800 CB VAL A 57 64.802 -0.029 14.181 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.010 -0.876 13.756 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.481 0.976 13.067 1.00 0.00 C ATOM 0 H VAL A 57 64.693 -2.540 15.287 1.00 0.00 H new ATOM 0 HA VAL A 57 62.714 -0.303 14.742 1.00 0.00 H new ATOM 0 HB VAL A 57 65.049 0.501 15.101 1.00 0.00 H new ATOM 0 HG11 VAL A 57 66.862 -0.224 13.562 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.263 -1.575 14.553 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.765 -1.431 12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.356 1.597 12.874 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.211 0.438 12.158 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.648 1.608 13.376 1.00 0.00 H new ATOM 812 N LYS A 58 61.992 -1.395 12.673 1.00 0.00 N ATOM 813 CA LYS A 58 61.531 -2.056 11.412 1.00 0.00 C ATOM 814 C LYS A 58 61.904 -1.200 10.198 1.00 0.00 C ATOM 815 O LYS A 58 61.657 -0.007 10.180 1.00 0.00 O ATOM 816 CB LYS A 58 60.009 -2.154 11.547 1.00 0.00 C ATOM 817 CG LYS A 58 59.657 -3.145 12.659 1.00 0.00 C ATOM 818 CD LYS A 58 58.159 -3.455 12.615 1.00 0.00 C ATOM 819 CE LYS A 58 57.372 -2.247 13.128 1.00 0.00 C ATOM 820 NZ LYS A 58 56.028 -2.370 12.499 1.00 0.00 N ATOM 0 H LYS A 58 61.355 -0.689 13.042 1.00 0.00 H new ATOM 0 HA LYS A 58 61.993 -3.033 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.590 -1.174 11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.570 -2.479 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.232 -4.063 12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 58 59.924 -2.728 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.856 -3.693 11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.940 -4.331 13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.301 -2.255 14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 58 57.856 -1.312 12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 55.429 -1.576 12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.126 -2.353 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 55.589 -3.267 12.791 1.00 0.00 H new ATOM 834 N PHE A 59 62.491 -1.806 9.191 1.00 0.00 N ATOM 835 CA PHE A 59 62.829 -1.064 7.935 1.00 0.00 C ATOM 836 C PHE A 59 62.007 -1.607 6.765 1.00 0.00 C ATOM 837 O PHE A 59 61.930 -2.807 6.562 1.00 0.00 O ATOM 838 CB PHE A 59 64.318 -1.328 7.704 1.00 0.00 C ATOM 839 CG PHE A 59 65.226 -0.504 8.585 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.510 0.856 8.245 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.806 -1.083 9.755 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.373 1.635 9.077 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.670 -0.305 10.585 1.00 0.00 C ATOM 844 CZ PHE A 59 66.952 1.054 10.247 1.00 0.00 C ATOM 0 H PHE A 59 62.752 -2.792 9.187 1.00 0.00 H new ATOM 0 HA PHE A 59 62.610 0.001 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.521 -2.385 7.876 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.556 -1.124 6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.073 1.294 7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.591 -2.110 10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.587 2.662 8.821 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.110 -0.744 11.468 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.603 1.643 10.876 1.00 0.00 H new ATOM 854 N LYS A 60 61.396 -0.728 6.003 1.00 0.00 N ATOM 855 CA LYS A 60 60.663 -1.155 4.771 1.00 0.00 C ATOM 856 C LYS A 60 61.473 -0.792 3.524 1.00 0.00 C ATOM 857 O LYS A 60 62.110 0.245 3.478 1.00 0.00 O ATOM 858 CB LYS A 60 59.348 -0.373 4.800 1.00 0.00 C ATOM 859 CG LYS A 60 58.410 -0.919 3.722 1.00 0.00 C ATOM 860 CD LYS A 60 57.123 -0.093 3.694 1.00 0.00 C ATOM 861 CE LYS A 60 56.140 -0.712 2.698 1.00 0.00 C ATOM 862 NZ LYS A 60 55.068 0.307 2.532 1.00 0.00 N ATOM 0 H LYS A 60 61.375 0.275 6.186 1.00 0.00 H new ATOM 0 HA LYS A 60 60.496 -2.232 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.882 -0.460 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.538 0.687 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.899 -0.882 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.178 -1.965 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.678 -0.061 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.345 0.936 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.627 -0.932 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.736 -1.652 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.355 -0.045 1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.618 0.491 3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.481 1.189 2.166 1.00 0.00 H new ATOM 876 N VAL A 61 61.448 -1.643 2.523 1.00 0.00 N ATOM 877 CA VAL A 61 62.164 -1.341 1.239 1.00 0.00 C ATOM 878 C VAL A 61 61.253 -0.488 0.347 1.00 0.00 C ATOM 879 O VAL A 61 60.208 -0.939 -0.086 1.00 0.00 O ATOM 880 CB VAL A 61 62.464 -2.708 0.585 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.234 -2.509 -0.726 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.318 -3.569 1.525 1.00 0.00 C ATOM 0 H VAL A 61 60.960 -2.538 2.540 1.00 0.00 H new ATOM 0 HA VAL A 61 63.087 -0.783 1.396 1.00 0.00 H new ATOM 0 HB VAL A 61 61.515 -3.206 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.440 -3.479 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.636 -1.909 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.174 -1.997 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.523 -4.530 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.259 -3.059 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.780 -3.731 2.459 1.00 0.00 H new ATOM 892 N VAL A 62 61.657 0.732 0.074 1.00 0.00 N ATOM 893 CA VAL A 62 60.779 1.680 -0.688 1.00 0.00 C ATOM 894 C VAL A 62 60.851 1.343 -2.181 1.00 0.00 C ATOM 895 O VAL A 62 59.842 1.341 -2.866 1.00 0.00 O ATOM 896 CB VAL A 62 61.328 3.096 -0.409 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.475 4.149 -1.129 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.291 3.388 1.096 1.00 0.00 C ATOM 0 H VAL A 62 62.562 1.114 0.348 1.00 0.00 H new ATOM 0 HA VAL A 62 59.734 1.611 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 62 62.355 3.140 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.873 5.143 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.498 3.964 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.447 4.090 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.680 4.389 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.263 3.326 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.903 2.657 1.624 1.00 0.00 H new ATOM 908 N GLN A 63 62.037 1.062 -2.681 1.00 0.00 N ATOM 909 CA GLN A 63 62.187 0.677 -4.122 1.00 0.00 C ATOM 910 C GLN A 63 63.550 0.025 -4.369 1.00 0.00 C ATOM 911 O GLN A 63 64.563 0.495 -3.886 1.00 0.00 O ATOM 912 CB GLN A 63 62.073 1.988 -4.906 1.00 0.00 C ATOM 913 CG GLN A 63 61.948 1.683 -6.400 1.00 0.00 C ATOM 914 CD GLN A 63 60.561 1.106 -6.692 1.00 0.00 C ATOM 915 OE1 GLN A 63 60.443 0.046 -7.275 1.00 0.00 O ATOM 916 NE2 GLN A 63 59.500 1.762 -6.310 1.00 0.00 N ATOM 0 H GLN A 63 62.907 1.084 -2.150 1.00 0.00 H new ATOM 0 HA GLN A 63 61.432 -0.048 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.205 2.553 -4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.949 2.610 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.105 2.592 -6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.719 0.974 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 63 59.599 2.652 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 63 58.571 1.385 -6.501 1.00 0.00 H new ATOM 925 N ALA A 64 63.566 -1.056 -5.117 1.00 0.00 N ATOM 926 CA ALA A 64 64.857 -1.664 -5.564 1.00 0.00 C ATOM 927 C ALA A 64 65.127 -1.295 -7.027 1.00 0.00 C ATOM 928 O ALA A 64 64.243 -1.372 -7.861 1.00 0.00 O ATOM 929 CB ALA A 64 64.660 -3.175 -5.414 1.00 0.00 C ATOM 0 H ALA A 64 62.730 -1.545 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 64 65.708 -1.310 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.568 -3.693 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.444 -3.412 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.827 -3.497 -6.039 1.00 0.00 H new ATOM 935 N TYR A 65 66.341 -0.894 -7.332 1.00 0.00 N ATOM 936 CA TYR A 65 66.688 -0.482 -8.728 1.00 0.00 C ATOM 937 C TYR A 65 67.963 -1.218 -9.197 1.00 0.00 C ATOM 938 O TYR A 65 69.011 -0.983 -8.631 1.00 0.00 O ATOM 939 CB TYR A 65 66.954 1.023 -8.632 1.00 0.00 C ATOM 940 CG TYR A 65 65.707 1.866 -8.765 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.835 1.680 -9.881 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.402 2.850 -7.775 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.656 2.479 -10.007 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.224 3.650 -7.901 1.00 0.00 C ATOM 945 CZ TYR A 65 63.351 3.464 -9.017 1.00 0.00 C ATOM 946 OH TYR A 65 62.213 4.236 -9.140 1.00 0.00 O ATOM 0 H TYR A 65 67.111 -0.835 -6.666 1.00 0.00 H new ATOM 0 HA TYR A 65 65.898 -0.720 -9.441 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.429 1.240 -7.675 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.661 1.309 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.066 0.936 -10.629 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.062 2.989 -6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 65 62.996 2.338 -10.850 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.994 4.395 -7.153 1.00 0.00 H new ATOM 0 HH TYR A 65 62.154 4.855 -8.383 1.00 0.00 H new ATOM 956 N PRO A 66 67.885 -2.085 -10.201 1.00 0.00 N ATOM 957 CA PRO A 66 66.607 -2.678 -10.722 1.00 0.00 C ATOM 958 C PRO A 66 66.050 -3.698 -9.725 1.00 0.00 C ATOM 959 O PRO A 66 66.756 -4.146 -8.841 1.00 0.00 O ATOM 960 CB PRO A 66 67.039 -3.369 -12.014 1.00 0.00 C ATOM 961 CG PRO A 66 68.474 -3.705 -11.792 1.00 0.00 C ATOM 962 CD PRO A 66 69.042 -2.597 -10.950 1.00 0.00 C ATOM 0 HA PRO A 66 65.821 -1.939 -10.877 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.446 -4.264 -12.204 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.913 -2.714 -12.876 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.575 -4.666 -11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.006 -3.784 -12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.819 -2.964 -10.280 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.493 -1.820 -11.566 1.00 0.00 H new ATOM 970 N SER A 67 64.796 -4.065 -9.866 1.00 0.00 N ATOM 971 CA SER A 67 64.190 -5.081 -8.950 1.00 0.00 C ATOM 972 C SER A 67 64.113 -6.450 -9.657 1.00 0.00 C ATOM 973 O SER A 67 63.850 -6.487 -10.844 1.00 0.00 O ATOM 974 CB SER A 67 62.782 -4.560 -8.660 1.00 0.00 C ATOM 975 OG SER A 67 62.855 -3.498 -7.719 1.00 0.00 O ATOM 0 H SER A 67 64.165 -3.701 -10.580 1.00 0.00 H new ATOM 0 HA SER A 67 64.774 -5.218 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.314 -4.213 -9.581 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.158 -5.364 -8.269 1.00 0.00 H new ATOM 0 HG SER A 67 63.275 -2.718 -8.138 1.00 0.00 H new ATOM 981 N PRO A 68 64.336 -7.550 -8.948 1.00 0.00 N ATOM 982 CA PRO A 68 65.140 -7.589 -7.680 1.00 0.00 C ATOM 983 C PRO A 68 66.629 -7.382 -7.981 1.00 0.00 C ATOM 984 O PRO A 68 67.058 -7.502 -9.115 1.00 0.00 O ATOM 985 CB PRO A 68 64.887 -8.996 -7.142 1.00 0.00 C ATOM 986 CG PRO A 68 64.569 -9.805 -8.353 1.00 0.00 C ATOM 987 CD PRO A 68 63.833 -8.890 -9.291 1.00 0.00 C ATOM 0 HA PRO A 68 64.862 -6.808 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.762 -9.386 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.062 -9.006 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.479 -10.186 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.958 -10.669 -8.094 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.037 -9.138 -10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.754 -8.959 -9.152 1.00 0.00 H new ATOM 995 N LEU A 69 67.409 -7.070 -6.968 1.00 0.00 N ATOM 996 CA LEU A 69 68.896 -6.993 -7.137 1.00 0.00 C ATOM 997 C LEU A 69 69.606 -7.546 -5.894 1.00 0.00 C ATOM 998 O LEU A 69 69.041 -7.568 -4.816 1.00 0.00 O ATOM 999 CB LEU A 69 69.222 -5.502 -7.355 1.00 0.00 C ATOM 1000 CG LEU A 69 68.785 -4.647 -6.148 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.919 -4.593 -5.114 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.446 -3.222 -6.613 1.00 0.00 C ATOM 0 H LEU A 69 67.075 -6.865 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 69 69.239 -7.592 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.293 -5.383 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.721 -5.146 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 69 67.902 -5.097 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.607 -3.988 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.151 -5.603 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.805 -4.150 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.138 -2.623 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.325 -2.771 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.634 -3.260 -7.340 1.00 0.00 H new ATOM 1014 N ARG A 70 70.832 -7.993 -6.049 1.00 0.00 N ATOM 1015 CA ARG A 70 71.660 -8.382 -4.863 1.00 0.00 C ATOM 1016 C ARG A 70 72.442 -7.170 -4.355 1.00 0.00 C ATOM 1017 O ARG A 70 72.935 -6.373 -5.135 1.00 0.00 O ATOM 1018 CB ARG A 70 72.618 -9.471 -5.364 1.00 0.00 C ATOM 1019 CG ARG A 70 71.983 -10.850 -5.173 1.00 0.00 C ATOM 1020 CD ARG A 70 72.826 -11.908 -5.894 1.00 0.00 C ATOM 1021 NE ARG A 70 72.703 -11.597 -7.360 1.00 0.00 N ATOM 1022 CZ ARG A 70 73.604 -11.996 -8.244 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.659 -12.706 -7.911 1.00 0.00 N ATOM 1024 NH2 ARG A 70 73.432 -11.678 -9.498 1.00 0.00 N ATOM 0 H ARG A 70 71.295 -8.105 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 70 71.047 -8.742 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.848 -9.309 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.561 -9.417 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.915 -11.086 -4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.966 -10.851 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 70 73.866 -11.866 -5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.464 -12.913 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 70 71.898 -11.061 -7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.809 -12.971 -6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 70 75.328 -12.992 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 70 72.617 -11.133 -9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 70 74.113 -11.974 -10.197 1.00 0.00 H new ATOM 1038 N VAL A 71 72.553 -7.035 -3.053 1.00 0.00 N ATOM 1039 CA VAL A 71 73.296 -5.872 -2.461 1.00 0.00 C ATOM 1040 C VAL A 71 74.801 -6.172 -2.490 1.00 0.00 C ATOM 1041 O VAL A 71 75.230 -7.239 -2.087 1.00 0.00 O ATOM 1042 CB VAL A 71 72.781 -5.728 -1.013 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.469 -4.546 -0.319 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.268 -5.475 -1.016 1.00 0.00 C ATOM 0 H VAL A 71 72.159 -7.683 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 71 73.135 -4.947 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 71 73.005 -6.651 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.096 -4.456 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.546 -4.713 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.254 -3.628 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.914 -5.375 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.054 -4.558 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.760 -6.312 -1.495 1.00 0.00 H new ATOM 1054 N GLU A 72 75.591 -5.235 -2.964 1.00 0.00 N ATOM 1055 CA GLU A 72 77.072 -5.439 -3.041 1.00 0.00 C ATOM 1056 C GLU A 72 77.802 -4.237 -2.439 1.00 0.00 C ATOM 1057 O GLU A 72 77.185 -3.255 -2.066 1.00 0.00 O ATOM 1058 CB GLU A 72 77.392 -5.550 -4.535 1.00 0.00 C ATOM 1059 CG GLU A 72 76.738 -6.803 -5.117 1.00 0.00 C ATOM 1060 CD GLU A 72 77.291 -7.064 -6.520 1.00 0.00 C ATOM 1061 OE1 GLU A 72 76.920 -6.337 -7.425 1.00 0.00 O ATOM 1062 OE2 GLU A 72 78.074 -7.988 -6.664 1.00 0.00 O ATOM 0 H GLU A 72 75.268 -4.329 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 72 77.388 -6.324 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 72 77.032 -4.665 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.471 -5.591 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 72 76.933 -7.660 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.656 -6.675 -5.159 1.00 0.00 H new ATOM 1069 N ASP A 73 79.111 -4.317 -2.342 1.00 0.00 N ATOM 1070 CA ASP A 73 79.936 -3.109 -1.987 1.00 0.00 C ATOM 1071 C ASP A 73 79.777 -2.006 -3.045 1.00 0.00 C ATOM 1072 O ASP A 73 79.901 -0.833 -2.739 1.00 0.00 O ATOM 1073 CB ASP A 73 81.390 -3.591 -1.945 1.00 0.00 C ATOM 1074 CG ASP A 73 81.571 -4.582 -0.793 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.080 -4.301 0.288 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.199 -5.606 -1.011 1.00 0.00 O ATOM 0 H ASP A 73 79.648 -5.171 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 73 79.620 -2.685 -1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.654 -4.065 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.061 -2.742 -1.816 1.00 0.00 H new ATOM 1081 N ARG A 74 79.507 -2.382 -4.277 1.00 0.00 N ATOM 1082 CA ARG A 74 79.346 -1.367 -5.372 1.00 0.00 C ATOM 1083 C ARG A 74 77.917 -0.802 -5.407 1.00 0.00 C ATOM 1084 O ARG A 74 77.696 0.267 -5.949 1.00 0.00 O ATOM 1085 CB ARG A 74 79.652 -2.114 -6.673 1.00 0.00 C ATOM 1086 CG ARG A 74 81.131 -2.509 -6.699 1.00 0.00 C ATOM 1087 CD ARG A 74 81.472 -3.125 -8.059 1.00 0.00 C ATOM 1088 NE ARG A 74 82.888 -3.593 -7.926 1.00 0.00 N ATOM 1089 CZ ARG A 74 83.209 -4.700 -7.277 1.00 0.00 C ATOM 1090 NH1 ARG A 74 82.311 -5.471 -6.702 1.00 0.00 N ATOM 1091 NH2 ARG A 74 84.467 -5.042 -7.205 1.00 0.00 N ATOM 0 H ARG A 74 79.391 -3.352 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 74 80.011 -0.517 -5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.026 -3.003 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.418 -1.483 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.755 -1.634 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.342 -3.222 -5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 74 80.803 -3.952 -8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.371 -2.393 -8.861 1.00 0.00 H new ATOM 0 HE ARG A 74 83.631 -3.039 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 74 81.323 -5.223 -6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 74 82.603 -6.316 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.180 -4.459 -7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 74 84.737 -5.892 -6.709 1.00 0.00 H new ATOM 1105 N THR A 75 76.955 -1.504 -4.840 1.00 0.00 N ATOM 1106 CA THR A 75 75.554 -0.968 -4.779 1.00 0.00 C ATOM 1107 C THR A 75 75.452 0.124 -3.710 1.00 0.00 C ATOM 1108 O THR A 75 75.890 -0.062 -2.588 1.00 0.00 O ATOM 1109 CB THR A 75 74.660 -2.156 -4.409 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.011 -3.279 -5.206 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.195 -1.791 -4.657 1.00 0.00 C ATOM 0 H THR A 75 77.082 -2.424 -4.418 1.00 0.00 H new ATOM 0 HA THR A 75 75.255 -0.525 -5.729 1.00 0.00 H new ATOM 0 HB THR A 75 74.799 -2.400 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.781 -3.101 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.560 -2.637 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.926 -0.930 -4.045 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.054 -1.546 -5.710 1.00 0.00 H new ATOM 1119 N LYS A 76 74.878 1.254 -4.059 1.00 0.00 N ATOM 1120 CA LYS A 76 74.709 2.369 -3.070 1.00 0.00 C ATOM 1121 C LYS A 76 73.385 2.210 -2.317 1.00 0.00 C ATOM 1122 O LYS A 76 72.402 1.763 -2.877 1.00 0.00 O ATOM 1123 CB LYS A 76 74.697 3.655 -3.901 1.00 0.00 C ATOM 1124 CG LYS A 76 76.075 3.872 -4.532 1.00 0.00 C ATOM 1125 CD LYS A 76 76.170 5.297 -5.085 1.00 0.00 C ATOM 1126 CE LYS A 76 75.288 5.444 -6.336 1.00 0.00 C ATOM 1127 NZ LYS A 76 74.045 6.126 -5.873 1.00 0.00 N ATOM 0 H LYS A 76 74.517 1.452 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 76 75.505 2.377 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.936 3.590 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.437 4.505 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.856 3.707 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.237 3.149 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.856 6.011 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.206 5.530 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 76 75.793 6.029 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 75.062 4.471 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 73.216 5.659 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 73.985 6.072 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 74.066 7.123 -6.167 1.00 0.00 H new ATOM 1141 N ILE A 77 73.361 2.574 -1.054 1.00 0.00 N ATOM 1142 CA ILE A 77 72.091 2.504 -0.258 1.00 0.00 C ATOM 1143 C ILE A 77 71.814 3.876 0.374 1.00 0.00 C ATOM 1144 O ILE A 77 72.690 4.477 0.971 1.00 0.00 O ATOM 1145 CB ILE A 77 72.332 1.421 0.814 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.605 0.071 0.134 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.094 1.274 1.711 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.158 -0.921 1.160 1.00 0.00 C ATOM 0 H ILE A 77 74.171 2.918 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 77 71.222 2.253 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 77 73.189 1.719 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.686 -0.319 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.317 0.201 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.278 0.506 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.888 2.224 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.236 0.988 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.350 -1.878 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.087 -0.533 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.431 -1.060 1.960 1.00 0.00 H new ATOM 1160 N THR A 78 70.599 4.361 0.239 1.00 0.00 N ATOM 1161 CA THR A 78 70.252 5.723 0.749 1.00 0.00 C ATOM 1162 C THR A 78 69.109 5.636 1.764 1.00 0.00 C ATOM 1163 O THR A 78 68.182 4.863 1.595 1.00 0.00 O ATOM 1164 CB THR A 78 69.807 6.508 -0.487 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.770 6.350 -1.520 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.675 7.990 -0.133 1.00 0.00 C ATOM 0 H THR A 78 69.828 3.864 -0.207 1.00 0.00 H new ATOM 0 HA THR A 78 71.092 6.198 1.256 1.00 0.00 H new ATOM 0 HB THR A 78 68.843 6.131 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.485 6.851 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.358 8.548 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.935 8.111 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.638 8.369 0.210 1.00 0.00 H new ATOM 1174 N LEU A 79 69.180 6.426 2.813 1.00 0.00 N ATOM 1175 CA LEU A 79 68.071 6.473 3.816 1.00 0.00 C ATOM 1176 C LEU A 79 67.174 7.686 3.556 1.00 0.00 C ATOM 1177 O LEU A 79 67.643 8.811 3.525 1.00 0.00 O ATOM 1178 CB LEU A 79 68.770 6.604 5.172 1.00 0.00 C ATOM 1179 CG LEU A 79 69.508 5.304 5.495 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.460 5.535 6.671 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.492 4.222 5.867 1.00 0.00 C ATOM 0 H LEU A 79 69.966 7.044 3.016 1.00 0.00 H new ATOM 0 HA LEU A 79 67.433 5.590 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.472 7.437 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 79 68.039 6.822 5.950 1.00 0.00 H new ATOM 0 HG LEU A 79 70.079 4.984 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.986 4.608 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.183 6.307 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.890 5.855 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.016 3.295 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.922 4.543 6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.813 4.057 5.030 1.00 0.00 H new ATOM 1193 N VAL A 80 65.894 7.457 3.371 1.00 0.00 N ATOM 1194 CA VAL A 80 64.941 8.582 3.099 1.00 0.00 C ATOM 1195 C VAL A 80 64.300 9.039 4.418 1.00 0.00 C ATOM 1196 O VAL A 80 63.896 8.226 5.230 1.00 0.00 O ATOM 1197 CB VAL A 80 63.882 8.004 2.137 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.835 9.073 1.789 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.550 7.538 0.838 1.00 0.00 C ATOM 0 H VAL A 80 65.466 6.532 3.397 1.00 0.00 H new ATOM 0 HA VAL A 80 65.432 9.451 2.661 1.00 0.00 H new ATOM 0 HB VAL A 80 63.398 7.162 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.095 8.650 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.341 9.409 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.325 9.920 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.794 7.132 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.045 8.383 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.287 6.767 1.064 1.00 0.00 H new