USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 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 33 GLN : amide:sc= 1.04 K(o=2.1,f=-1.6) USER MOD Set 1.2: A 36 HIS : no HE2:sc= 1.11 K(o=2.1,f=-6.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.777 USER MOD Single : A 16 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.2) USER MOD Single : A 18 GLN : amide:sc= 0.0682 X(o=0.068,f=0) USER MOD Single : A 21 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 23 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 26 ASN : amide:sc= -2.95! C(o=-3!,f=-7!) USER MOD Single : A 28 THR OG1 : rot -74:sc= 0.535 USER MOD Single : A 35 SER OG : rot -32:sc= 0.0442 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 48 MET CE :methyl 162:sc= 0 (180deg=-0.736) USER MOD Single : A 54 ASN : amide:sc= 0.891 K(o=0.89,f=-0.051) USER MOD Single : A 64 ASN : amide:sc= -0.306 K(o=-0.31,f=-4.8!) USER MOD Single : A 66 TYR OH : rot -69:sc= 0.147 USER MOD Single : A 69 THR OG1 : rot -50:sc= 0.426 USER MOD Single : A 70 SER OG : rot 180:sc= 0.124 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.624 3.342 4.919 1.00 0.00 N ATOM 2 CA GLY A 10 10.677 4.415 5.181 1.00 0.00 C ATOM 3 C GLY A 10 9.589 4.518 4.125 1.00 0.00 C ATOM 4 O GLY A 10 8.707 3.661 4.057 1.00 0.00 O ATOM 0 HA2 GLY A 10 10.216 4.255 6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.215 5.362 5.234 1.00 0.00 H new ATOM 8 N PRO A 11 9.608 5.581 3.301 1.00 0.00 N ATOM 9 CA PRO A 11 8.653 5.743 2.211 1.00 0.00 C ATOM 10 C PRO A 11 8.978 4.843 1.022 1.00 0.00 C ATOM 11 O PRO A 11 10.009 4.166 0.998 1.00 0.00 O ATOM 12 CB PRO A 11 8.792 7.215 1.825 1.00 0.00 C ATOM 13 CG PRO A 11 10.169 7.607 2.238 1.00 0.00 C ATOM 14 CD PRO A 11 10.555 6.708 3.383 1.00 0.00 C ATOM 0 HA PRO A 11 7.642 5.466 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.649 7.355 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.043 7.825 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.867 7.497 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.198 8.653 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.586 6.368 3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.475 7.226 4.339 1.00 0.00 H new ATOM 22 N PHE A 12 8.105 4.847 0.031 1.00 0.00 N ATOM 23 CA PHE A 12 8.274 3.995 -1.138 1.00 0.00 C ATOM 24 C PHE A 12 8.202 4.807 -2.422 1.00 0.00 C ATOM 25 O PHE A 12 8.119 6.031 -2.392 1.00 0.00 O ATOM 26 CB PHE A 12 7.217 2.886 -1.153 1.00 0.00 C ATOM 27 CG PHE A 12 5.790 3.367 -1.064 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.265 3.800 0.142 1.00 0.00 C ATOM 29 CD2 PHE A 12 4.969 3.363 -2.179 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.955 4.216 0.236 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.654 3.782 -2.089 1.00 0.00 C ATOM 32 CZ PHE A 12 3.149 4.209 -0.879 1.00 0.00 C ATOM 0 H PHE A 12 7.269 5.431 0.010 1.00 0.00 H new ATOM 0 HA PHE A 12 9.262 3.538 -1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.333 2.306 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.410 2.209 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.892 3.812 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.360 3.029 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.561 4.548 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.023 3.775 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.123 4.537 -0.807 1.00 0.00 H new ATOM 42 N THR A 13 8.244 4.113 -3.545 1.00 0.00 N ATOM 43 CA THR A 13 8.156 4.748 -4.847 1.00 0.00 C ATOM 44 C THR A 13 6.978 4.177 -5.623 1.00 0.00 C ATOM 45 O THR A 13 6.373 3.190 -5.199 1.00 0.00 O ATOM 46 CB THR A 13 9.447 4.536 -5.666 1.00 0.00 C ATOM 47 OG1 THR A 13 9.588 3.153 -6.025 1.00 0.00 O ATOM 48 CG2 THR A 13 10.666 4.967 -4.870 1.00 0.00 C ATOM 0 H THR A 13 8.340 3.098 -3.580 1.00 0.00 H new ATOM 0 HA THR A 13 8.018 5.817 -4.686 1.00 0.00 H new ATOM 0 HB THR A 13 9.375 5.144 -6.568 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.410 3.032 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.565 4.809 -5.466 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.580 6.024 -4.617 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.730 4.378 -3.955 1.00 0.00 H new ATOM 56 N ARG A 14 6.655 4.799 -6.748 1.00 0.00 N ATOM 57 CA ARG A 14 5.606 4.304 -7.630 1.00 0.00 C ATOM 58 C ARG A 14 5.940 2.894 -8.104 1.00 0.00 C ATOM 59 O ARG A 14 5.069 2.032 -8.205 1.00 0.00 O ATOM 60 CB ARG A 14 5.461 5.241 -8.825 1.00 0.00 C ATOM 61 CG ARG A 14 4.090 5.194 -9.486 1.00 0.00 C ATOM 62 CD ARG A 14 3.871 6.392 -10.400 1.00 0.00 C ATOM 63 NE ARG A 14 2.602 6.311 -11.126 1.00 0.00 N ATOM 64 CZ ARG A 14 1.484 6.941 -10.760 1.00 0.00 C ATOM 65 NH1 ARG A 14 1.464 7.703 -9.674 1.00 0.00 N ATOM 66 NH2 ARG A 14 0.386 6.833 -11.495 1.00 0.00 N ATOM 0 H ARG A 14 7.107 5.653 -7.074 1.00 0.00 H new ATOM 0 HA ARG A 14 4.663 4.272 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.661 6.262 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.219 4.988 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.994 4.273 -10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.316 5.173 -8.719 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.891 7.307 -9.808 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.692 6.457 -11.114 1.00 0.00 H new ATOM 0 HE ARG A 14 2.570 5.735 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.308 7.811 -9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.605 8.181 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.394 6.267 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.467 7.316 -11.212 1.00 0.00 H new ATOM 80 N ARG A 15 7.217 2.672 -8.394 1.00 0.00 N ATOM 81 CA ARG A 15 7.694 1.360 -8.806 1.00 0.00 C ATOM 82 C ARG A 15 7.574 0.349 -7.668 1.00 0.00 C ATOM 83 O ARG A 15 6.997 -0.723 -7.845 1.00 0.00 O ATOM 84 CB ARG A 15 9.147 1.430 -9.269 1.00 0.00 C ATOM 85 CG ARG A 15 9.400 2.405 -10.406 1.00 0.00 C ATOM 86 CD ARG A 15 10.689 2.073 -11.140 1.00 0.00 C ATOM 87 NE ARG A 15 11.803 1.809 -10.226 1.00 0.00 N ATOM 88 CZ ARG A 15 13.055 1.576 -10.624 1.00 0.00 C ATOM 89 NH1 ARG A 15 13.368 1.615 -11.913 1.00 0.00 N ATOM 90 NH2 ARG A 15 13.996 1.298 -9.730 1.00 0.00 N ATOM 0 H ARG A 15 7.942 3.388 -8.351 1.00 0.00 H new ATOM 0 HA ARG A 15 7.069 1.033 -9.637 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.772 1.710 -8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.463 0.435 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.564 2.378 -11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.454 3.420 -10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.528 1.201 -11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.952 2.901 -11.799 1.00 0.00 H new ATOM 0 HE ARG A 15 11.610 1.803 -9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.650 1.824 -12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.327 1.436 -12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.762 1.262 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.953 1.120 -10.035 1.00 0.00 H new ATOM 104 N GLN A 16 8.120 0.699 -6.502 1.00 0.00 N ATOM 105 CA GLN A 16 8.069 -0.181 -5.334 1.00 0.00 C ATOM 106 C GLN A 16 6.633 -0.551 -4.997 1.00 0.00 C ATOM 107 O GLN A 16 6.323 -1.721 -4.799 1.00 0.00 O ATOM 108 CB GLN A 16 8.724 0.485 -4.125 1.00 0.00 C ATOM 109 CG GLN A 16 10.243 0.417 -4.122 1.00 0.00 C ATOM 110 CD GLN A 16 10.754 -0.988 -3.867 1.00 0.00 C ATOM 111 OE1 GLN A 16 10.104 -1.783 -3.192 1.00 0.00 O ATOM 112 NE2 GLN A 16 11.929 -1.300 -4.387 1.00 0.00 N ATOM 0 H GLN A 16 8.602 1.584 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 16 8.619 -1.089 -5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.418 1.531 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.349 0.013 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.623 0.771 -5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.633 1.088 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.440 -0.613 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.325 -2.227 -4.233 1.00 0.00 H new ATOM 121 N ALA A 17 5.763 0.457 -4.951 1.00 0.00 N ATOM 122 CA ALA A 17 4.338 0.242 -4.683 1.00 0.00 C ATOM 123 C ALA A 17 3.776 -0.864 -5.570 1.00 0.00 C ATOM 124 O ALA A 17 3.158 -1.817 -5.082 1.00 0.00 O ATOM 125 CB ALA A 17 3.560 1.531 -4.901 1.00 0.00 C ATOM 0 H ALA A 17 6.019 1.434 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 17 4.232 -0.066 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.503 1.357 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.936 2.301 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.682 1.860 -5.933 1.00 0.00 H new ATOM 131 N GLN A 18 4.021 -0.746 -6.870 1.00 0.00 N ATOM 132 CA GLN A 18 3.562 -1.731 -7.836 1.00 0.00 C ATOM 133 C GLN A 18 4.031 -3.133 -7.468 1.00 0.00 C ATOM 134 O GLN A 18 3.274 -4.092 -7.576 1.00 0.00 O ATOM 135 CB GLN A 18 4.070 -1.371 -9.226 1.00 0.00 C ATOM 136 CG GLN A 18 3.352 -0.190 -9.856 1.00 0.00 C ATOM 137 CD GLN A 18 3.994 0.254 -11.155 1.00 0.00 C ATOM 138 OE1 GLN A 18 3.651 -0.232 -12.233 1.00 0.00 O ATOM 139 NE2 GLN A 18 4.938 1.177 -11.060 1.00 0.00 N ATOM 0 H GLN A 18 4.540 0.031 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 18 2.472 -1.724 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.135 -1.147 -9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.963 -2.238 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.312 -0.458 -10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.346 0.644 -9.154 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.193 1.554 -10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.411 1.511 -11.900 1.00 0.00 H new ATOM 148 N ALA A 19 5.268 -3.242 -7.005 1.00 0.00 N ATOM 149 CA ALA A 19 5.861 -4.533 -6.680 1.00 0.00 C ATOM 150 C ALA A 19 5.226 -5.150 -5.437 1.00 0.00 C ATOM 151 O ALA A 19 5.168 -6.376 -5.301 1.00 0.00 O ATOM 152 CB ALA A 19 7.363 -4.387 -6.488 1.00 0.00 C ATOM 0 H ALA A 19 5.885 -2.446 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 19 5.670 -5.206 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.795 -5.358 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.812 -4.009 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.560 -3.689 -5.674 1.00 0.00 H new ATOM 158 N VAL A 20 4.686 -4.310 -4.561 1.00 0.00 N ATOM 159 CA VAL A 20 4.181 -4.788 -3.285 1.00 0.00 C ATOM 160 C VAL A 20 2.736 -5.164 -3.481 1.00 0.00 C ATOM 161 O VAL A 20 2.166 -5.965 -2.749 1.00 0.00 O ATOM 162 CB VAL A 20 4.286 -3.718 -2.171 1.00 0.00 C ATOM 163 CG1 VAL A 20 3.988 -4.323 -0.808 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.659 -3.066 -2.167 1.00 0.00 C ATOM 0 H VAL A 20 4.588 -3.306 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 20 4.782 -5.639 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 20 3.542 -2.950 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.068 -3.552 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.978 -4.734 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.704 -5.118 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.705 -2.319 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.422 -3.825 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.837 -2.586 -3.129 1.00 0.00 H new ATOM 174 N THR A 21 2.185 -4.621 -4.546 1.00 0.00 N ATOM 175 CA THR A 21 0.791 -4.781 -4.855 1.00 0.00 C ATOM 176 C THR A 21 0.644 -5.907 -5.858 1.00 0.00 C ATOM 177 O THR A 21 -0.381 -6.584 -5.932 1.00 0.00 O ATOM 178 CB THR A 21 0.229 -3.479 -5.428 1.00 0.00 C ATOM 179 OG1 THR A 21 0.625 -2.372 -4.607 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.266 -3.542 -5.471 1.00 0.00 C ATOM 0 H THR A 21 2.699 -4.055 -5.221 1.00 0.00 H new ATOM 0 HA THR A 21 0.234 -5.023 -3.950 1.00 0.00 H new ATOM 0 HB THR A 21 0.619 -3.346 -6.437 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.536 -2.098 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.658 -2.611 -5.880 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.577 -4.375 -6.102 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.653 -3.686 -4.462 1.00 0.00 H new ATOM 188 N THR A 22 1.696 -6.084 -6.636 1.00 0.00 N ATOM 189 CA THR A 22 1.846 -7.250 -7.469 1.00 0.00 C ATOM 190 C THR A 22 1.946 -8.483 -6.581 1.00 0.00 C ATOM 191 O THR A 22 1.406 -9.545 -6.893 1.00 0.00 O ATOM 192 CB THR A 22 3.106 -7.115 -8.342 1.00 0.00 C ATOM 193 OG1 THR A 22 2.916 -6.077 -9.312 1.00 0.00 O ATOM 194 CG2 THR A 22 3.445 -8.418 -9.032 1.00 0.00 C ATOM 0 H THR A 22 2.467 -5.420 -6.704 1.00 0.00 H new ATOM 0 HA THR A 22 0.982 -7.347 -8.127 1.00 0.00 H new ATOM 0 HB THR A 22 3.942 -6.857 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.115 -5.208 -8.905 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.340 -8.286 -9.640 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.625 -9.190 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.614 -8.719 -9.670 1.00 0.00 H new ATOM 202 N THR A 23 2.633 -8.319 -5.457 1.00 0.00 N ATOM 203 CA THR A 23 2.733 -9.373 -4.472 1.00 0.00 C ATOM 204 C THR A 23 1.432 -9.494 -3.678 1.00 0.00 C ATOM 205 O THR A 23 0.815 -10.558 -3.649 1.00 0.00 O ATOM 206 CB THR A 23 3.912 -9.124 -3.518 1.00 0.00 C ATOM 207 OG1 THR A 23 5.109 -8.929 -4.281 1.00 0.00 O ATOM 208 CG2 THR A 23 4.103 -10.297 -2.565 1.00 0.00 C ATOM 0 H THR A 23 3.128 -7.462 -5.211 1.00 0.00 H new ATOM 0 HA THR A 23 2.909 -10.309 -5.001 1.00 0.00 H new ATOM 0 HB THR A 23 3.695 -8.234 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.057 -8.075 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.944 -10.094 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.199 -10.435 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.304 -11.202 -3.138 1.00 0.00 H new ATOM 216 N TYR A 24 0.999 -8.409 -3.047 1.00 0.00 N ATOM 217 CA TYR A 24 -0.206 -8.446 -2.262 1.00 0.00 C ATOM 218 C TYR A 24 -1.321 -7.727 -3.012 1.00 0.00 C ATOM 219 O TYR A 24 -1.386 -6.502 -3.027 1.00 0.00 O ATOM 220 CB TYR A 24 0.052 -7.808 -0.894 1.00 0.00 C ATOM 221 CG TYR A 24 1.234 -8.413 -0.165 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.130 -9.630 0.491 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.463 -7.764 -0.152 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.220 -10.187 1.136 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.554 -8.311 0.494 1.00 0.00 C ATOM 226 CZ TYR A 24 3.429 -9.522 1.137 1.00 0.00 C ATOM 227 OH TYR A 24 4.520 -10.080 1.769 1.00 0.00 O ATOM 0 H TYR A 24 1.468 -7.503 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.516 -9.478 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.223 -6.740 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.840 -7.915 -0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.184 -10.151 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.567 -6.815 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.125 -11.139 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.501 -7.791 0.495 1.00 0.00 H new ATOM 0 HH TYR A 24 5.292 -9.484 1.675 1.00 0.00 H new ATOM 237 N SER A 25 -2.178 -8.501 -3.660 1.00 0.00 N ATOM 238 CA SER A 25 -3.278 -7.957 -4.447 1.00 0.00 C ATOM 239 C SER A 25 -4.341 -7.332 -3.551 1.00 0.00 C ATOM 240 O SER A 25 -5.313 -6.741 -4.029 1.00 0.00 O ATOM 241 CB SER A 25 -3.882 -9.069 -5.299 1.00 0.00 C ATOM 242 OG SER A 25 -3.982 -10.271 -4.550 1.00 0.00 O ATOM 0 H SER A 25 -2.133 -9.520 -3.657 1.00 0.00 H new ATOM 0 HA SER A 25 -2.893 -7.170 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.869 -8.770 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.265 -9.234 -6.182 1.00 0.00 H new ATOM 0 HG SER A 25 -4.373 -10.974 -5.110 1.00 0.00 H new ATOM 248 N ASN A 26 -4.147 -7.467 -2.248 1.00 0.00 N ATOM 249 CA ASN A 26 -5.030 -6.854 -1.277 1.00 0.00 C ATOM 250 C ASN A 26 -4.639 -5.396 -1.076 1.00 0.00 C ATOM 251 O ASN A 26 -5.333 -4.648 -0.400 1.00 0.00 O ATOM 252 CB ASN A 26 -4.990 -7.620 0.051 1.00 0.00 C ATOM 253 CG ASN A 26 -3.638 -7.549 0.741 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.715 -8.287 0.398 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.528 -6.698 1.748 1.00 0.00 N ATOM 0 H ASN A 26 -3.379 -8.000 -1.840 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.053 -6.894 -1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.753 -7.218 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.244 -8.664 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.654 -6.637 2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.317 -6.103 2.001 1.00 0.00 H new ATOM 262 N ILE A 27 -3.519 -4.999 -1.670 1.00 0.00 N ATOM 263 CA ILE A 27 -3.116 -3.603 -1.670 1.00 0.00 C ATOM 264 C ILE A 27 -3.705 -2.930 -2.906 1.00 0.00 C ATOM 265 O ILE A 27 -4.057 -3.610 -3.868 1.00 0.00 O ATOM 266 CB ILE A 27 -1.577 -3.436 -1.692 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.881 -4.521 -0.861 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.186 -2.048 -1.198 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.577 -4.230 -0.578 1.00 0.00 C ATOM 0 H ILE A 27 -2.877 -5.625 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.484 -3.145 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.244 -3.548 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.410 -4.636 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.957 -5.473 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.101 -1.946 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.634 -1.293 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.543 -1.911 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.002 -5.041 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.120 -4.144 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.661 -3.295 -0.025 1.00 0.00 H new ATOM 281 N THR A 28 -3.831 -1.610 -2.887 1.00 0.00 N ATOM 282 CA THR A 28 -4.363 -0.891 -4.035 1.00 0.00 C ATOM 283 C THR A 28 -3.840 0.538 -4.084 1.00 0.00 C ATOM 284 O THR A 28 -3.788 1.222 -3.066 1.00 0.00 O ATOM 285 CB THR A 28 -5.906 -0.884 -4.036 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.410 -1.268 -2.744 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.444 -1.828 -5.099 1.00 0.00 C ATOM 0 H THR A 28 -3.574 -1.020 -2.096 1.00 0.00 H new ATOM 0 HA THR A 28 -4.021 -1.419 -4.925 1.00 0.00 H new ATOM 0 HB THR A 28 -6.242 0.128 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.291 -2.233 -2.620 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.534 -1.809 -5.084 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.089 -1.512 -6.080 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.096 -2.841 -4.896 1.00 0.00 H new ATOM 295 N LEU A 29 -3.435 0.976 -5.266 1.00 0.00 N ATOM 296 CA LEU A 29 -2.913 2.323 -5.441 1.00 0.00 C ATOM 297 C LEU A 29 -4.051 3.274 -5.796 1.00 0.00 C ATOM 298 O LEU A 29 -4.618 3.197 -6.887 1.00 0.00 O ATOM 299 CB LEU A 29 -1.832 2.327 -6.534 1.00 0.00 C ATOM 300 CG LEU A 29 -0.954 3.585 -6.620 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.324 3.281 -7.379 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.690 4.726 -7.305 1.00 0.00 C ATOM 0 H LEU A 29 -3.458 0.418 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.459 2.662 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.182 1.467 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.320 2.184 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.712 3.891 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.938 4.180 -7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.876 2.496 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.078 2.948 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.042 5.602 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.966 4.426 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.590 4.969 -6.740 1.00 0.00 H new ATOM 314 N GLU A 30 -4.399 4.153 -4.867 1.00 0.00 N ATOM 315 CA GLU A 30 -5.463 5.121 -5.096 1.00 0.00 C ATOM 316 C GLU A 30 -5.001 6.519 -4.707 1.00 0.00 C ATOM 317 O GLU A 30 -3.880 6.692 -4.222 1.00 0.00 O ATOM 318 CB GLU A 30 -6.728 4.746 -4.313 1.00 0.00 C ATOM 319 CG GLU A 30 -7.238 3.346 -4.617 1.00 0.00 C ATOM 320 CD GLU A 30 -8.667 3.132 -4.172 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.911 3.040 -2.957 1.00 0.00 O ATOM 322 OE2 GLU A 30 -9.557 3.041 -5.047 1.00 0.00 O ATOM 0 H GLU A 30 -3.961 4.216 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.704 5.111 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.522 4.825 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.513 5.467 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.165 3.163 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.596 2.616 -4.124 1.00 0.00 H new ATOM 329 N ASP A 31 -5.869 7.505 -4.936 1.00 0.00 N ATOM 330 CA ASP A 31 -5.565 8.909 -4.641 1.00 0.00 C ATOM 331 C ASP A 31 -4.381 9.392 -5.463 1.00 0.00 C ATOM 332 O ASP A 31 -3.641 10.283 -5.044 1.00 0.00 O ATOM 333 CB ASP A 31 -5.288 9.115 -3.148 1.00 0.00 C ATOM 334 CG ASP A 31 -6.551 9.082 -2.311 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.286 10.089 -2.306 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.804 8.059 -1.636 1.00 0.00 O ATOM 0 H ASP A 31 -6.798 7.356 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.442 9.498 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.605 8.341 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.786 10.072 -3.004 1.00 0.00 H new ATOM 341 N ASP A 32 -4.238 8.823 -6.652 1.00 0.00 N ATOM 342 CA ASP A 32 -3.101 9.112 -7.516 1.00 0.00 C ATOM 343 C ASP A 32 -3.181 10.516 -8.097 1.00 0.00 C ATOM 344 O ASP A 32 -4.163 10.884 -8.750 1.00 0.00 O ATOM 345 CB ASP A 32 -3.010 8.083 -8.642 1.00 0.00 C ATOM 346 CG ASP A 32 -1.849 8.347 -9.581 1.00 0.00 C ATOM 347 OD1 ASP A 32 -0.824 8.905 -9.133 1.00 0.00 O ATOM 348 OD2 ASP A 32 -1.954 7.990 -10.772 1.00 0.00 O ATOM 0 H ASP A 32 -4.901 8.153 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.201 9.053 -6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.905 7.087 -8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.940 8.088 -9.210 1.00 0.00 H new ATOM 353 N GLN A 33 -2.142 11.288 -7.836 1.00 0.00 N ATOM 354 CA GLN A 33 -2.023 12.650 -8.330 1.00 0.00 C ATOM 355 C GLN A 33 -0.616 12.853 -8.902 1.00 0.00 C ATOM 356 O GLN A 33 -0.145 13.977 -9.077 1.00 0.00 O ATOM 357 CB GLN A 33 -2.293 13.630 -7.179 1.00 0.00 C ATOM 358 CG GLN A 33 -2.352 15.096 -7.586 1.00 0.00 C ATOM 359 CD GLN A 33 -2.453 16.021 -6.388 1.00 0.00 C ATOM 360 OE1 GLN A 33 -1.439 16.447 -5.830 1.00 0.00 O ATOM 361 NE2 GLN A 33 -3.672 16.341 -5.985 1.00 0.00 N ATOM 0 H GLN A 33 -1.349 10.986 -7.270 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.752 12.833 -9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.237 13.361 -6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.514 13.508 -6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.462 15.347 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.210 15.255 -8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.485 15.967 -6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.798 16.961 -5.185 1.00 0.00 H new ATOM 370 N GLY A 34 0.054 11.744 -9.193 1.00 0.00 N ATOM 371 CA GLY A 34 1.415 11.803 -9.690 1.00 0.00 C ATOM 372 C GLY A 34 2.400 11.224 -8.695 1.00 0.00 C ATOM 373 O GLY A 34 2.660 10.022 -8.691 1.00 0.00 O ATOM 0 H GLY A 34 -0.323 10.802 -9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.483 11.256 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.680 12.838 -9.904 1.00 0.00 H new ATOM 377 N SER A 35 2.946 12.077 -7.844 1.00 0.00 N ATOM 378 CA SER A 35 3.815 11.621 -6.772 1.00 0.00 C ATOM 379 C SER A 35 3.018 11.585 -5.475 1.00 0.00 C ATOM 380 O SER A 35 3.430 10.984 -4.484 1.00 0.00 O ATOM 381 CB SER A 35 5.032 12.539 -6.631 1.00 0.00 C ATOM 382 OG SER A 35 5.996 11.985 -5.748 1.00 0.00 O ATOM 0 H SER A 35 2.803 13.087 -7.874 1.00 0.00 H new ATOM 0 HA SER A 35 4.182 10.621 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.483 12.701 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.714 13.514 -6.261 1.00 0.00 H new ATOM 0 HG SER A 35 5.542 11.466 -5.052 1.00 0.00 H new ATOM 388 N HIS A 36 1.867 12.245 -5.495 1.00 0.00 N ATOM 389 CA HIS A 36 0.947 12.215 -4.371 1.00 0.00 C ATOM 390 C HIS A 36 -0.067 11.107 -4.579 1.00 0.00 C ATOM 391 O HIS A 36 -0.928 11.208 -5.442 1.00 0.00 O ATOM 392 CB HIS A 36 0.217 13.553 -4.211 1.00 0.00 C ATOM 393 CG HIS A 36 1.114 14.708 -3.891 1.00 0.00 C ATOM 394 ND1 HIS A 36 0.869 15.990 -4.325 1.00 0.00 N ATOM 395 CD2 HIS A 36 2.245 14.772 -3.155 1.00 0.00 C ATOM 396 CE1 HIS A 36 1.811 16.794 -3.868 1.00 0.00 C ATOM 397 NE2 HIS A 36 2.662 16.081 -3.150 1.00 0.00 N ATOM 0 H HIS A 36 1.549 12.810 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 36 1.523 12.032 -3.464 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.323 13.772 -5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.527 13.456 -3.420 1.00 0.00 H new ATOM 0 HD1 HIS A 36 0.082 16.275 -4.909 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.733 13.945 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.876 17.857 -4.050 1.00 0.00 H new ATOM 406 N PHE A 37 0.065 10.043 -3.810 1.00 0.00 N ATOM 407 CA PHE A 37 -0.847 8.911 -3.884 1.00 0.00 C ATOM 408 C PHE A 37 -0.679 8.063 -2.638 1.00 0.00 C ATOM 409 O PHE A 37 0.326 8.193 -1.933 1.00 0.00 O ATOM 410 CB PHE A 37 -0.595 8.064 -5.146 1.00 0.00 C ATOM 411 CG PHE A 37 0.772 7.440 -5.226 1.00 0.00 C ATOM 412 CD1 PHE A 37 1.829 8.126 -5.802 1.00 0.00 C ATOM 413 CD2 PHE A 37 0.995 6.162 -4.737 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.083 7.553 -5.885 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.246 5.583 -4.818 1.00 0.00 C ATOM 416 CZ PHE A 37 3.291 6.279 -5.393 1.00 0.00 C ATOM 0 H PHE A 37 0.805 9.936 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.868 9.287 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.343 7.273 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.744 8.693 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.670 9.121 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.181 5.613 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.899 8.100 -6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.407 4.587 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.270 5.828 -5.458 1.00 0.00 H new ATOM 426 N ARG A 38 -1.649 7.214 -2.351 1.00 0.00 N ATOM 427 CA ARG A 38 -1.558 6.360 -1.178 1.00 0.00 C ATOM 428 C ARG A 38 -2.040 4.950 -1.468 1.00 0.00 C ATOM 429 O ARG A 38 -2.951 4.737 -2.272 1.00 0.00 O ATOM 430 CB ARG A 38 -2.321 6.966 0.006 1.00 0.00 C ATOM 431 CG ARG A 38 -3.775 7.302 -0.263 1.00 0.00 C ATOM 432 CD ARG A 38 -4.407 7.930 0.969 1.00 0.00 C ATOM 433 NE ARG A 38 -5.731 8.482 0.700 1.00 0.00 N ATOM 434 CZ ARG A 38 -6.381 9.297 1.532 1.00 0.00 C ATOM 435 NH1 ARG A 38 -5.827 9.654 2.688 1.00 0.00 N ATOM 436 NH2 ARG A 38 -7.579 9.763 1.199 1.00 0.00 N ATOM 0 H ARG A 38 -2.498 7.097 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.504 6.295 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.275 6.268 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.808 7.874 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.847 7.988 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.319 6.399 -0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.483 7.180 1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.757 8.721 1.344 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.187 8.229 -0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.903 9.304 2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.327 10.277 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.000 9.498 0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.078 10.386 1.834 1.00 0.00 H new ATOM 450 N LEU A 39 -1.409 3.989 -0.813 1.00 0.00 N ATOM 451 CA LEU A 39 -1.761 2.597 -0.987 1.00 0.00 C ATOM 452 C LEU A 39 -2.796 2.191 0.039 1.00 0.00 C ATOM 453 O LEU A 39 -2.616 2.388 1.244 1.00 0.00 O ATOM 454 CB LEU A 39 -0.534 1.697 -0.871 1.00 0.00 C ATOM 455 CG LEU A 39 0.538 1.918 -1.931 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.744 1.043 -1.640 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.009 1.623 -3.319 1.00 0.00 C ATOM 0 H LEU A 39 -0.648 4.153 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.177 2.478 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.086 1.846 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.860 0.658 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 39 0.845 2.963 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.505 1.207 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.150 1.297 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.444 -0.005 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.773 1.787 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.342 0.586 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.850 2.284 -3.527 1.00 0.00 H new ATOM 469 N VAL A 40 -3.883 1.645 -0.449 1.00 0.00 N ATOM 470 CA VAL A 40 -4.952 1.180 0.405 1.00 0.00 C ATOM 471 C VAL A 40 -4.805 -0.312 0.654 1.00 0.00 C ATOM 472 O VAL A 40 -4.973 -1.123 -0.261 1.00 0.00 O ATOM 473 CB VAL A 40 -6.338 1.463 -0.210 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.439 1.106 0.774 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.451 2.918 -0.637 1.00 0.00 C ATOM 0 H VAL A 40 -4.053 1.510 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.881 1.724 1.347 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.453 0.839 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.410 1.312 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.373 0.048 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.325 1.702 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.436 3.095 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.313 3.564 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.685 3.140 -1.380 1.00 0.00 H new ATOM 485 N VAL A 41 -4.451 -0.661 1.878 1.00 0.00 N ATOM 486 CA VAL A 41 -4.358 -2.048 2.283 1.00 0.00 C ATOM 487 C VAL A 41 -5.746 -2.574 2.620 1.00 0.00 C ATOM 488 O VAL A 41 -6.391 -2.105 3.564 1.00 0.00 O ATOM 489 CB VAL A 41 -3.443 -2.240 3.512 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.422 -3.698 3.922 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.030 -1.747 3.233 1.00 0.00 C ATOM 0 H VAL A 41 -4.221 0.007 2.614 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.924 -2.600 1.449 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.847 -1.645 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.774 -3.823 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.432 -4.019 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.045 -4.302 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.411 -1.896 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.608 -2.305 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.057 -0.686 2.984 1.00 0.00 H new ATOM 501 N ARG A 42 -6.207 -3.520 1.829 1.00 0.00 N ATOM 502 CA ARG A 42 -7.496 -4.148 2.046 1.00 0.00 C ATOM 503 C ARG A 42 -7.310 -5.552 2.597 1.00 0.00 C ATOM 504 O ARG A 42 -6.184 -6.047 2.687 1.00 0.00 O ATOM 505 CB ARG A 42 -8.278 -4.199 0.735 1.00 0.00 C ATOM 506 CG ARG A 42 -8.705 -2.836 0.221 1.00 0.00 C ATOM 507 CD ARG A 42 -9.085 -2.903 -1.246 1.00 0.00 C ATOM 508 NE ARG A 42 -10.231 -2.054 -1.561 1.00 0.00 N ATOM 509 CZ ARG A 42 -10.252 -1.172 -2.558 1.00 0.00 C ATOM 510 NH1 ARG A 42 -9.152 -0.918 -3.252 1.00 0.00 N ATOM 511 NH2 ARG A 42 -11.374 -0.529 -2.843 1.00 0.00 N ATOM 0 H ARG A 42 -5.701 -3.876 1.018 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.057 -3.559 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.666 -4.687 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.164 -4.818 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.552 -2.473 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.894 -2.121 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.233 -2.599 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.316 -3.934 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.066 -2.142 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.282 -1.399 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.175 -0.241 -4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.218 -0.710 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.394 0.148 -3.606 1.00 0.00 H new ATOM 525 N ASP A 43 -8.410 -6.183 2.974 1.00 0.00 N ATOM 526 CA ASP A 43 -8.372 -7.553 3.472 1.00 0.00 C ATOM 527 C ASP A 43 -8.674 -8.527 2.338 1.00 0.00 C ATOM 528 O ASP A 43 -8.722 -8.138 1.169 1.00 0.00 O ATOM 529 CB ASP A 43 -9.387 -7.756 4.606 1.00 0.00 C ATOM 530 CG ASP A 43 -10.783 -8.059 4.093 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.394 -7.177 3.469 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.252 -9.204 4.281 1.00 0.00 O ATOM 0 H ASP A 43 -9.342 -5.770 2.946 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.373 -7.743 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.053 -8.574 5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.418 -6.860 5.225 1.00 0.00 H new ATOM 537 N THR A 44 -8.917 -9.783 2.701 1.00 0.00 N ATOM 538 CA THR A 44 -9.200 -10.833 1.734 1.00 0.00 C ATOM 539 C THR A 44 -10.454 -10.523 0.919 1.00 0.00 C ATOM 540 O THR A 44 -10.591 -10.968 -0.221 1.00 0.00 O ATOM 541 CB THR A 44 -9.373 -12.193 2.440 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.192 -12.039 3.611 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.028 -12.778 2.839 1.00 0.00 C ATOM 0 H THR A 44 -8.923 -10.099 3.671 1.00 0.00 H new ATOM 0 HA THR A 44 -8.348 -10.882 1.055 1.00 0.00 H new ATOM 0 HB THR A 44 -9.856 -12.875 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.298 -12.907 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.181 -13.737 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.416 -12.923 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.521 -12.094 3.520 1.00 0.00 H new ATOM 551 N GLU A 45 -11.359 -9.750 1.504 1.00 0.00 N ATOM 552 CA GLU A 45 -12.595 -9.392 0.838 1.00 0.00 C ATOM 553 C GLU A 45 -12.426 -8.086 0.076 1.00 0.00 C ATOM 554 O GLU A 45 -13.097 -7.848 -0.928 1.00 0.00 O ATOM 555 CB GLU A 45 -13.723 -9.267 1.861 1.00 0.00 C ATOM 556 CG GLU A 45 -15.071 -8.940 1.242 1.00 0.00 C ATOM 557 CD GLU A 45 -16.210 -9.039 2.231 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.772 -10.144 2.376 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.554 -8.017 2.861 1.00 0.00 O ATOM 0 H GLU A 45 -11.256 -9.360 2.441 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.851 -10.177 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.804 -10.202 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.465 -8.490 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.041 -7.932 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.258 -9.619 0.410 1.00 0.00 H new ATOM 566 N GLY A 46 -11.516 -7.249 0.548 1.00 0.00 N ATOM 567 CA GLY A 46 -11.297 -5.969 -0.086 1.00 0.00 C ATOM 568 C GLY A 46 -11.809 -4.806 0.743 1.00 0.00 C ATOM 569 O GLY A 46 -12.029 -3.714 0.217 1.00 0.00 O ATOM 0 H GLY A 46 -10.926 -7.434 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.231 -5.837 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.790 -5.961 -1.058 1.00 0.00 H new ATOM 573 N ARG A 47 -11.999 -5.031 2.035 1.00 0.00 N ATOM 574 CA ARG A 47 -12.406 -3.972 2.936 1.00 0.00 C ATOM 575 C ARG A 47 -11.207 -3.105 3.296 1.00 0.00 C ATOM 576 O ARG A 47 -10.092 -3.609 3.427 1.00 0.00 O ATOM 577 CB ARG A 47 -13.009 -4.560 4.206 1.00 0.00 C ATOM 578 CG ARG A 47 -14.248 -5.408 3.975 1.00 0.00 C ATOM 579 CD ARG A 47 -14.819 -5.904 5.292 1.00 0.00 C ATOM 580 NE ARG A 47 -15.961 -6.794 5.105 1.00 0.00 N ATOM 581 CZ ARG A 47 -16.939 -6.940 5.995 1.00 0.00 C ATOM 582 NH1 ARG A 47 -16.969 -6.178 7.083 1.00 0.00 N ATOM 583 NH2 ARG A 47 -17.899 -7.829 5.787 1.00 0.00 N ATOM 0 H ARG A 47 -11.877 -5.941 2.480 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.157 -3.361 2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.254 -5.168 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.262 -3.746 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.000 -4.823 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.999 -6.258 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.041 -6.428 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.123 -5.050 5.897 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.012 -7.335 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.242 -5.480 7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.720 -6.291 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.889 -8.403 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.648 -7.940 6.470 1.00 0.00 H new ATOM 597 N MET A 48 -11.436 -1.808 3.442 1.00 0.00 N ATOM 598 CA MET A 48 -10.369 -0.877 3.800 1.00 0.00 C ATOM 599 C MET A 48 -9.868 -1.166 5.210 1.00 0.00 C ATOM 600 O MET A 48 -10.608 -1.004 6.180 1.00 0.00 O ATOM 601 CB MET A 48 -10.856 0.573 3.745 1.00 0.00 C ATOM 602 CG MET A 48 -11.679 0.917 2.514 1.00 0.00 C ATOM 603 SD MET A 48 -10.755 0.740 0.980 1.00 0.00 S ATOM 604 CE MET A 48 -11.965 1.323 -0.203 1.00 0.00 C ATOM 0 H MET A 48 -12.351 -1.374 3.319 1.00 0.00 H new ATOM 0 HA MET A 48 -9.563 -1.012 3.079 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.453 0.776 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.991 1.235 3.784 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.558 0.273 2.479 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.039 1.942 2.599 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.466 1.580 -1.137 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.700 0.540 -0.388 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.467 2.205 0.195 1.00 0.00 H new ATOM 614 N VAL A 49 -8.624 -1.598 5.326 1.00 0.00 N ATOM 615 CA VAL A 49 -8.041 -1.860 6.632 1.00 0.00 C ATOM 616 C VAL A 49 -7.094 -0.733 7.031 1.00 0.00 C ATOM 617 O VAL A 49 -7.016 -0.362 8.201 1.00 0.00 O ATOM 618 CB VAL A 49 -7.282 -3.204 6.661 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.767 -3.499 8.063 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.173 -4.337 6.167 1.00 0.00 C ATOM 0 H VAL A 49 -8.001 -1.774 4.538 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.863 -1.916 7.346 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.426 -3.127 5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.235 -4.450 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.090 -2.705 8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.607 -3.554 8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.618 -5.275 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.051 -4.415 6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.488 -4.133 5.144 1.00 0.00 H new ATOM 630 N TRP A 50 -6.400 -0.173 6.047 1.00 0.00 N ATOM 631 CA TRP A 50 -5.382 0.839 6.308 1.00 0.00 C ATOM 632 C TRP A 50 -4.874 1.450 5.007 1.00 0.00 C ATOM 633 O TRP A 50 -4.439 0.736 4.112 1.00 0.00 O ATOM 634 CB TRP A 50 -4.213 0.208 7.078 1.00 0.00 C ATOM 635 CG TRP A 50 -3.057 1.136 7.305 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.893 1.182 6.591 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.949 2.145 8.313 1.00 0.00 C ATOM 638 NE1 TRP A 50 -1.071 2.161 7.092 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.697 2.766 8.149 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.792 2.585 9.337 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.268 3.805 8.971 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.365 3.616 10.152 1.00 0.00 C ATOM 643 CH2 TRP A 50 -2.113 4.215 9.964 1.00 0.00 C ATOM 0 H TRP A 50 -6.523 -0.402 5.061 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.829 1.633 6.907 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.576 -0.145 8.043 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.861 -0.666 6.530 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.654 0.542 5.755 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -0.145 2.399 6.735 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.759 2.128 9.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.303 4.270 8.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.007 3.966 10.947 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.809 5.019 10.618 1.00 0.00 H new ATOM 654 N ARG A 51 -4.932 2.767 4.902 1.00 0.00 N ATOM 655 CA ARG A 51 -4.385 3.456 3.743 1.00 0.00 C ATOM 656 C ARG A 51 -3.291 4.429 4.175 1.00 0.00 C ATOM 657 O ARG A 51 -3.506 5.280 5.039 1.00 0.00 O ATOM 658 CB ARG A 51 -5.488 4.186 2.961 1.00 0.00 C ATOM 659 CG ARG A 51 -6.263 5.210 3.776 1.00 0.00 C ATOM 660 CD ARG A 51 -7.258 5.976 2.916 1.00 0.00 C ATOM 661 NE ARG A 51 -8.332 5.124 2.410 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.788 5.158 1.154 1.00 0.00 C ATOM 663 NH1 ARG A 51 -8.237 5.970 0.258 1.00 0.00 N ATOM 664 NH2 ARG A 51 -9.798 4.375 0.801 1.00 0.00 N ATOM 0 H ARG A 51 -5.351 3.380 5.602 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.946 2.712 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.038 4.687 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.187 3.448 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.793 4.706 4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.567 5.910 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.688 6.789 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.733 6.431 2.076 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.761 4.461 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.460 6.574 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.591 5.990 -0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.223 3.751 1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.150 4.397 -0.156 1.00 0.00 H new ATOM 678 N ALA A 52 -2.113 4.289 3.586 1.00 0.00 N ATOM 679 CA ALA A 52 -0.980 5.136 3.934 1.00 0.00 C ATOM 680 C ALA A 52 -0.408 5.801 2.691 1.00 0.00 C ATOM 681 O ALA A 52 -0.380 5.197 1.615 1.00 0.00 O ATOM 682 CB ALA A 52 0.091 4.329 4.655 1.00 0.00 C ATOM 0 H ALA A 52 -1.916 3.596 2.864 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.330 5.917 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.929 4.979 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.326 3.905 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.438 3.524 4.007 1.00 0.00 H new ATOM 688 N TRP A 53 0.030 7.046 2.839 1.00 0.00 N ATOM 689 CA TRP A 53 0.552 7.813 1.721 1.00 0.00 C ATOM 690 C TRP A 53 1.911 7.319 1.276 1.00 0.00 C ATOM 691 O TRP A 53 2.440 6.331 1.774 1.00 0.00 O ATOM 692 CB TRP A 53 0.668 9.290 2.081 1.00 0.00 C ATOM 693 CG TRP A 53 -0.622 9.995 2.180 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.231 10.324 3.322 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.443 10.486 1.113 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.401 10.981 3.063 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.556 11.097 1.708 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.350 10.467 -0.281 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.574 11.686 0.963 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.359 11.052 -1.024 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.458 11.655 -0.400 1.00 0.00 C ATOM 0 H TRP A 53 0.033 7.545 3.728 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.156 7.682 0.902 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.191 9.379 3.033 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.283 9.787 1.331 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.853 10.103 4.309 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.053 11.329 3.766 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.505 10.004 -0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.423 12.150 1.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.298 11.044 -2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.230 12.105 -1.007 1.00 0.00 H new ATOM 712 N ASN A 54 2.469 8.064 0.348 1.00 0.00 N ATOM 713 CA ASN A 54 3.743 7.726 -0.270 1.00 0.00 C ATOM 714 C ASN A 54 4.869 8.564 0.316 1.00 0.00 C ATOM 715 O ASN A 54 5.939 8.053 0.638 1.00 0.00 O ATOM 716 CB ASN A 54 3.670 7.942 -1.787 1.00 0.00 C ATOM 717 CG ASN A 54 5.028 7.843 -2.454 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.707 8.847 -2.659 1.00 0.00 O ATOM 719 ND2 ASN A 54 5.434 6.632 -2.786 1.00 0.00 N ATOM 0 H ASN A 54 2.054 8.927 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 54 3.950 6.675 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.999 7.202 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.239 8.922 -1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.343 6.503 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.839 5.825 -2.598 1.00 0.00 H new ATOM 726 N PHE A 55 4.598 9.849 0.483 1.00 0.00 N ATOM 727 CA PHE A 55 5.608 10.809 0.911 1.00 0.00 C ATOM 728 C PHE A 55 5.773 10.825 2.429 1.00 0.00 C ATOM 729 O PHE A 55 6.444 11.700 2.979 1.00 0.00 O ATOM 730 CB PHE A 55 5.236 12.204 0.398 1.00 0.00 C ATOM 731 CG PHE A 55 3.778 12.530 0.566 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.291 13.005 1.772 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.893 12.351 -0.487 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.951 13.297 1.924 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.552 12.640 -0.338 1.00 0.00 C ATOM 736 CZ PHE A 55 1.081 13.115 0.869 1.00 0.00 C ATOM 0 H PHE A 55 3.676 10.256 0.327 1.00 0.00 H new ATOM 0 HA PHE A 55 6.566 10.505 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.831 12.949 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.498 12.277 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.967 13.148 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.258 11.981 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.583 13.668 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.872 12.495 -1.165 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.032 13.344 0.988 1.00 0.00 H new ATOM 746 N GLU A 56 5.171 9.854 3.099 1.00 0.00 N ATOM 747 CA GLU A 56 5.280 9.750 4.546 1.00 0.00 C ATOM 748 C GLU A 56 6.647 9.202 4.932 1.00 0.00 C ATOM 749 O GLU A 56 7.091 8.188 4.385 1.00 0.00 O ATOM 750 CB GLU A 56 4.169 8.865 5.114 1.00 0.00 C ATOM 751 CG GLU A 56 2.777 9.438 4.905 1.00 0.00 C ATOM 752 CD GLU A 56 2.596 10.792 5.560 1.00 0.00 C ATOM 753 OE1 GLU A 56 2.900 11.817 4.919 1.00 0.00 O ATOM 754 OE2 GLU A 56 2.142 10.840 6.724 1.00 0.00 O ATOM 0 H GLU A 56 4.602 9.127 2.664 1.00 0.00 H new ATOM 0 HA GLU A 56 5.169 10.747 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.223 7.882 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.339 8.721 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.582 9.527 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.039 8.744 5.306 1.00 0.00 H new ATOM 761 N PRO A 57 7.323 9.872 5.887 1.00 0.00 N ATOM 762 CA PRO A 57 8.696 9.549 6.303 1.00 0.00 C ATOM 763 C PRO A 57 8.919 8.060 6.543 1.00 0.00 C ATOM 764 O PRO A 57 9.985 7.533 6.236 1.00 0.00 O ATOM 765 CB PRO A 57 8.889 10.336 7.610 1.00 0.00 C ATOM 766 CG PRO A 57 7.551 10.917 7.940 1.00 0.00 C ATOM 767 CD PRO A 57 6.800 11.015 6.646 1.00 0.00 C ATOM 0 HA PRO A 57 9.409 9.813 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.240 9.684 8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.636 11.120 7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.018 10.286 8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.657 11.898 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.723 10.944 6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.989 11.960 6.138 1.00 0.00 H new ATOM 775 N ASP A 58 7.917 7.390 7.092 1.00 0.00 N ATOM 776 CA ASP A 58 7.973 5.946 7.262 1.00 0.00 C ATOM 777 C ASP A 58 6.620 5.327 6.952 1.00 0.00 C ATOM 778 O ASP A 58 5.975 4.758 7.828 1.00 0.00 O ATOM 779 CB ASP A 58 8.410 5.561 8.681 1.00 0.00 C ATOM 780 CG ASP A 58 9.884 5.805 8.936 1.00 0.00 C ATOM 781 OD1 ASP A 58 10.710 4.949 8.542 1.00 0.00 O ATOM 782 OD2 ASP A 58 10.222 6.844 9.545 1.00 0.00 O ATOM 0 H ASP A 58 7.056 7.823 7.427 1.00 0.00 H new ATOM 0 HA ASP A 58 8.716 5.560 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.824 6.130 9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.188 4.507 8.850 1.00 0.00 H new ATOM 787 N ALA A 59 6.176 5.462 5.705 1.00 0.00 N ATOM 788 CA ALA A 59 4.912 4.865 5.281 1.00 0.00 C ATOM 789 C ALA A 59 4.964 3.348 5.417 1.00 0.00 C ATOM 790 O ALA A 59 3.989 2.704 5.828 1.00 0.00 O ATOM 791 CB ALA A 59 4.600 5.257 3.848 1.00 0.00 C ATOM 0 H ALA A 59 6.669 5.976 4.975 1.00 0.00 H new ATOM 0 HA ALA A 59 4.118 5.241 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.655 4.805 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.523 6.342 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.397 4.906 3.193 1.00 0.00 H new ATOM 797 N GLY A 60 6.124 2.787 5.096 1.00 0.00 N ATOM 798 CA GLY A 60 6.313 1.355 5.165 1.00 0.00 C ATOM 799 C GLY A 60 6.160 0.803 6.564 1.00 0.00 C ATOM 800 O GLY A 60 5.846 -0.365 6.731 1.00 0.00 O ATOM 0 H GLY A 60 6.944 3.308 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.593 0.867 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.306 1.107 4.790 1.00 0.00 H new ATOM 804 N GLU A 61 6.363 1.647 7.564 1.00 0.00 N ATOM 805 CA GLU A 61 6.281 1.226 8.957 1.00 0.00 C ATOM 806 C GLU A 61 4.896 0.638 9.252 1.00 0.00 C ATOM 807 O GLU A 61 4.771 -0.492 9.740 1.00 0.00 O ATOM 808 CB GLU A 61 6.561 2.431 9.859 1.00 0.00 C ATOM 809 CG GLU A 61 7.355 2.109 11.116 1.00 0.00 C ATOM 810 CD GLU A 61 6.584 1.262 12.102 1.00 0.00 C ATOM 811 OE1 GLU A 61 5.494 1.689 12.533 1.00 0.00 O ATOM 812 OE2 GLU A 61 7.063 0.169 12.457 1.00 0.00 O ATOM 0 H GLU A 61 6.587 2.634 7.437 1.00 0.00 H new ATOM 0 HA GLU A 61 7.023 0.452 9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.104 3.181 9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.611 2.879 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.271 1.588 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.652 3.040 11.600 1.00 0.00 H new ATOM 819 N GLY A 62 3.856 1.392 8.905 1.00 0.00 N ATOM 820 CA GLY A 62 2.499 0.934 9.138 1.00 0.00 C ATOM 821 C GLY A 62 2.114 -0.187 8.198 1.00 0.00 C ATOM 822 O GLY A 62 1.451 -1.149 8.598 1.00 0.00 O ATOM 0 H GLY A 62 3.930 2.310 8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.403 0.593 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.808 1.767 9.012 1.00 0.00 H new ATOM 826 N LEU A 63 2.547 -0.067 6.949 1.00 0.00 N ATOM 827 CA LEU A 63 2.261 -1.080 5.939 1.00 0.00 C ATOM 828 C LEU A 63 2.870 -2.426 6.327 1.00 0.00 C ATOM 829 O LEU A 63 2.200 -3.456 6.270 1.00 0.00 O ATOM 830 CB LEU A 63 2.795 -0.623 4.579 1.00 0.00 C ATOM 831 CG LEU A 63 2.216 0.700 4.071 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.918 1.137 2.799 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.720 0.577 3.831 1.00 0.00 C ATOM 0 H LEU A 63 3.098 0.722 6.610 1.00 0.00 H new ATOM 0 HA LEU A 63 1.181 -1.208 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.879 -0.527 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.587 -1.400 3.844 1.00 0.00 H new ATOM 0 HG LEU A 63 2.381 1.458 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.492 2.079 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.981 1.271 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.785 0.376 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.330 1.529 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.533 -0.197 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.223 0.311 4.764 1.00 0.00 H new ATOM 845 N ASN A 64 4.130 -2.408 6.750 1.00 0.00 N ATOM 846 CA ASN A 64 4.829 -3.633 7.136 1.00 0.00 C ATOM 847 C ASN A 64 4.199 -4.258 8.370 1.00 0.00 C ATOM 848 O ASN A 64 4.245 -5.475 8.546 1.00 0.00 O ATOM 849 CB ASN A 64 6.315 -3.365 7.397 1.00 0.00 C ATOM 850 CG ASN A 64 7.102 -3.079 6.128 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.750 -3.542 5.044 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.177 -2.316 6.255 1.00 0.00 N ATOM 0 H ASN A 64 4.690 -1.559 6.835 1.00 0.00 H new ATOM 0 HA ASN A 64 4.739 -4.330 6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.411 -2.518 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.751 -4.228 7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.744 -2.094 5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.437 -1.950 7.171 1.00 0.00 H new ATOM 859 N ARG A 65 3.616 -3.426 9.226 1.00 0.00 N ATOM 860 CA ARG A 65 2.915 -3.923 10.405 1.00 0.00 C ATOM 861 C ARG A 65 1.681 -4.718 10.011 1.00 0.00 C ATOM 862 O ARG A 65 1.317 -5.676 10.690 1.00 0.00 O ATOM 863 CB ARG A 65 2.533 -2.774 11.336 1.00 0.00 C ATOM 864 CG ARG A 65 1.734 -3.205 12.560 1.00 0.00 C ATOM 865 CD ARG A 65 1.868 -2.191 13.681 1.00 0.00 C ATOM 866 NE ARG A 65 3.251 -2.089 14.133 1.00 0.00 N ATOM 867 CZ ARG A 65 4.088 -1.132 13.741 1.00 0.00 C ATOM 868 NH1 ARG A 65 3.635 -0.091 13.051 1.00 0.00 N ATOM 869 NH2 ARG A 65 5.370 -1.200 14.070 1.00 0.00 N ATOM 0 H ARG A 65 3.614 -2.411 9.127 1.00 0.00 H new ATOM 0 HA ARG A 65 3.594 -4.588 10.939 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.442 -2.271 11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.951 -2.043 10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.684 -3.319 12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.083 -4.179 12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.521 -1.216 13.337 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.230 -2.480 14.516 1.00 0.00 H new ATOM 0 HE ARG A 65 3.596 -2.792 14.787 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.644 -0.024 12.821 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.279 0.641 12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.714 -1.985 14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.013 -0.467 13.770 1.00 0.00 H new ATOM 883 N TYR A 66 1.028 -4.327 8.925 1.00 0.00 N ATOM 884 CA TYR A 66 -0.060 -5.136 8.401 1.00 0.00 C ATOM 885 C TYR A 66 0.502 -6.388 7.740 1.00 0.00 C ATOM 886 O TYR A 66 0.010 -7.493 7.966 1.00 0.00 O ATOM 887 CB TYR A 66 -0.911 -4.357 7.394 1.00 0.00 C ATOM 888 CG TYR A 66 -2.053 -5.179 6.823 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.855 -6.022 5.733 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.321 -5.124 7.384 1.00 0.00 C ATOM 891 CE1 TYR A 66 -2.890 -6.783 5.219 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.360 -5.885 6.878 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.140 -6.711 5.796 1.00 0.00 C ATOM 894 OH TYR A 66 -5.174 -7.470 5.292 1.00 0.00 O ATOM 0 H TYR A 66 1.227 -3.475 8.401 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.702 -5.414 9.237 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.316 -3.469 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.275 -4.012 6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.876 -6.083 5.281 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.500 -4.476 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.720 -7.430 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.340 -5.832 7.329 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.432 -7.127 4.411 1.00 0.00 H new ATOM 904 N ILE A 67 1.531 -6.198 6.917 1.00 0.00 N ATOM 905 CA ILE A 67 2.145 -7.297 6.183 1.00 0.00 C ATOM 906 C ILE A 67 2.600 -8.410 7.126 1.00 0.00 C ATOM 907 O ILE A 67 2.218 -9.564 6.946 1.00 0.00 O ATOM 908 CB ILE A 67 3.347 -6.818 5.338 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.910 -5.738 4.344 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.978 -7.993 4.599 1.00 0.00 C ATOM 911 CD1 ILE A 67 4.062 -5.101 3.596 1.00 0.00 C ATOM 0 H ILE A 67 1.957 -5.288 6.743 1.00 0.00 H new ATOM 0 HA ILE A 67 1.381 -7.689 5.512 1.00 0.00 H new ATOM 0 HB ILE A 67 4.090 -6.388 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.219 -6.177 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.363 -4.963 4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.823 -7.640 4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.324 -8.733 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.239 -8.447 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.677 -4.346 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.743 -4.633 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.596 -5.865 3.032 1.00 0.00 H new ATOM 923 N ARG A 68 3.434 -8.061 8.114 1.00 0.00 N ATOM 924 CA ARG A 68 3.904 -9.022 9.120 1.00 0.00 C ATOM 925 C ARG A 68 4.553 -10.233 8.474 1.00 0.00 C ATOM 926 O ARG A 68 4.493 -11.334 9.014 1.00 0.00 O ATOM 927 CB ARG A 68 2.751 -9.484 9.988 1.00 0.00 C ATOM 928 CG ARG A 68 2.404 -8.531 11.110 1.00 0.00 C ATOM 929 CD ARG A 68 3.551 -8.377 12.098 1.00 0.00 C ATOM 930 NE ARG A 68 3.961 -9.659 12.668 1.00 0.00 N ATOM 931 CZ ARG A 68 3.628 -10.077 13.887 1.00 0.00 C ATOM 932 NH1 ARG A 68 2.850 -9.329 14.664 1.00 0.00 N ATOM 933 NH2 ARG A 68 4.070 -11.252 14.317 1.00 0.00 N ATOM 0 H ARG A 68 3.798 -7.116 8.238 1.00 0.00 H new ATOM 0 HA ARG A 68 4.648 -8.512 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.871 -9.625 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.998 -10.456 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.150 -7.556 10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.520 -8.894 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.401 -7.915 11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.250 -7.704 12.900 1.00 0.00 H new ATOM 0 HE ARG A 68 4.540 -10.273 12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.505 -8.430 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.598 -9.654 15.597 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.660 -11.826 13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.820 -11.581 15.250 1.00 0.00 H new ATOM 947 N THR A 69 5.101 -9.999 7.288 1.00 0.00 N ATOM 948 CA THR A 69 5.856 -10.977 6.497 1.00 0.00 C ATOM 949 C THR A 69 4.985 -12.174 6.130 1.00 0.00 C ATOM 950 O THR A 69 5.470 -13.220 5.690 1.00 0.00 O ATOM 951 CB THR A 69 7.195 -11.418 7.170 1.00 0.00 C ATOM 952 OG1 THR A 69 8.007 -12.129 6.228 1.00 0.00 O ATOM 953 CG2 THR A 69 6.984 -12.298 8.390 1.00 0.00 C ATOM 0 H THR A 69 5.032 -9.091 6.829 1.00 0.00 H new ATOM 0 HA THR A 69 6.145 -10.471 5.576 1.00 0.00 H new ATOM 0 HB THR A 69 7.690 -10.504 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.475 -12.835 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.951 -12.571 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.403 -11.754 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.447 -13.201 8.099 1.00 0.00 H new ATOM 961 N SER A 70 3.685 -11.980 6.263 1.00 0.00 N ATOM 962 CA SER A 70 2.712 -12.968 5.872 1.00 0.00 C ATOM 963 C SER A 70 1.900 -12.442 4.699 1.00 0.00 C ATOM 964 O SER A 70 2.002 -12.941 3.573 1.00 0.00 O ATOM 965 CB SER A 70 1.815 -13.285 7.063 1.00 0.00 C ATOM 966 OG SER A 70 1.347 -12.098 7.683 1.00 0.00 O ATOM 0 H SER A 70 3.279 -11.127 6.648 1.00 0.00 H new ATOM 0 HA SER A 70 3.210 -13.886 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.967 -13.885 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.366 -13.884 7.788 1.00 0.00 H new ATOM 0 HG SER A 70 0.773 -12.330 8.443 1.00 0.00 H new ATOM 972 N GLY A 71 1.132 -11.400 4.968 1.00 0.00 N ATOM 973 CA GLY A 71 0.317 -10.777 3.951 1.00 0.00 C ATOM 974 C GLY A 71 -0.785 -11.681 3.435 1.00 0.00 C ATOM 975 O GLY A 71 -0.917 -12.830 3.857 1.00 0.00 O ATOM 0 H GLY A 71 1.059 -10.969 5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.127 -9.868 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.953 -10.477 3.118 1.00 0.00 H new ATOM 979 N ILE A 72 -1.571 -11.164 2.506 1.00 0.00 N ATOM 980 CA ILE A 72 -2.679 -11.919 1.942 1.00 0.00 C ATOM 981 C ILE A 72 -2.220 -12.672 0.689 1.00 0.00 C ATOM 982 O ILE A 72 -3.007 -13.300 -0.013 1.00 0.00 O ATOM 983 CB ILE A 72 -3.871 -10.977 1.639 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.231 -10.178 2.899 1.00 0.00 C ATOM 985 CG2 ILE A 72 -5.092 -11.740 1.144 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.484 -11.035 4.127 1.00 0.00 C ATOM 0 H ILE A 72 -1.463 -10.224 2.126 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.018 -12.657 2.669 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.563 -10.299 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.422 -9.480 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.121 -9.582 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.903 -11.039 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.840 -12.274 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.408 -12.453 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.732 -10.394 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.313 -11.715 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.589 -11.612 4.359 1.00 0.00 H new ATOM 998 N ARG A 73 -0.918 -12.604 0.428 1.00 0.00 N ATOM 999 CA ARG A 73 -0.312 -13.304 -0.702 1.00 0.00 C ATOM 1000 C ARG A 73 -0.521 -14.814 -0.595 1.00 0.00 C ATOM 1001 O ARG A 73 -1.449 -15.371 -1.181 1.00 0.00 O ATOM 1002 CB ARG A 73 1.186 -13.015 -0.756 1.00 0.00 C ATOM 1003 CG ARG A 73 1.926 -13.848 -1.785 1.00 0.00 C ATOM 1004 CD ARG A 73 1.690 -13.329 -3.193 1.00 0.00 C ATOM 1005 NE ARG A 73 2.184 -14.240 -4.221 1.00 0.00 N ATOM 1006 CZ ARG A 73 1.945 -14.082 -5.523 1.00 0.00 C ATOM 1007 NH1 ARG A 73 1.254 -13.031 -5.947 1.00 0.00 N ATOM 1008 NH2 ARG A 73 2.398 -14.971 -6.397 1.00 0.00 N ATOM 0 H ARG A 73 -0.257 -12.067 0.989 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.795 -12.945 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.336 -11.959 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.619 -13.198 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.994 -13.836 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.599 -14.886 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.623 -13.166 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.179 -12.361 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 73 2.743 -15.041 -3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.906 -12.345 -5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.071 -12.909 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.931 -15.778 -6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.213 -14.847 -7.393 1.00 0.00 H new ATOM 1022 N THR A 74 0.360 -15.466 0.153 1.00 0.00 N ATOM 1023 CA THR A 74 0.286 -16.897 0.335 1.00 0.00 C ATOM 1024 C THR A 74 -0.540 -17.191 1.570 1.00 0.00 C ATOM 1025 O THR A 74 -1.271 -18.182 1.619 1.00 0.00 O ATOM 1026 CB THR A 74 1.694 -17.505 0.495 1.00 0.00 C ATOM 1027 OG1 THR A 74 2.568 -16.990 -0.521 1.00 0.00 O ATOM 1028 CG2 THR A 74 1.645 -19.021 0.399 1.00 0.00 C ATOM 0 H THR A 74 1.135 -15.018 0.642 1.00 0.00 H new ATOM 0 HA THR A 74 -0.179 -17.343 -0.544 1.00 0.00 H new ATOM 0 HB THR A 74 2.073 -17.230 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.461 -17.379 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.650 -19.426 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.002 -19.415 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.247 -19.311 -0.573 1.00 0.00 H new ATOM 1036 N ASP A 75 -0.422 -16.283 2.547 1.00 0.00 N ATOM 1037 CA ASP A 75 -1.155 -16.366 3.822 1.00 0.00 C ATOM 1038 C ASP A 75 -0.764 -17.596 4.653 1.00 0.00 C ATOM 1039 O ASP A 75 -0.169 -17.474 5.725 1.00 0.00 O ATOM 1040 CB ASP A 75 -2.663 -16.359 3.560 1.00 0.00 C ATOM 1041 CG ASP A 75 -3.491 -16.567 4.817 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -3.723 -17.738 5.198 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -3.926 -15.572 5.423 1.00 0.00 O ATOM 0 H ASP A 75 0.186 -15.467 2.478 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.879 -15.490 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.941 -15.409 3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.904 -17.142 2.841 1.00 0.00 H new TER 1048 ASP A 75