USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 20 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 23 GLN :FLIP amide:sc= -2.14! C(o=-7.7!,f=-6.9!) USER MOD Set 1.3: A 35 TYR OH : rot -119:sc= -1.31 USER MOD Set 1.4: A 36 GLN :FLIP amide:sc= -3.42! X(o=-6.9,f=-6.9!) USER MOD Single : A 1 ASN : amide:sc= -0.837 K(o=-0.84,f=-1.5) USER MOD Single : A 1 ASN N :NH3+ 167:sc= 0 (180deg=-0.151) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00264) USER MOD Single : A 8 GLN : amide:sc= -2.84 K(o=-2.8,f=-6.7!) USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.577) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -6.39! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 8:sc= 1.13 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.0595 (180deg=-0.467) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.226 F(o=-1.2,f=-0.23) USER MOD Single : A 49 MET CE :methyl -166:sc= -3.51! (180deg=-4.02!) USER MOD Single : A 50 TYR OH : rot -176:sc= 0.478 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 140:sc= -3.68! (180deg=-5.52!) USER MOD Single : A 56 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.5!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.31 F(o=-2.2!,f=-1.3) USER MOD Single : A 62 THR OG1 : rot 71:sc= -1.2 USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= -0.103 (180deg=-0.881) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -2.47 K(o=-2.5,f=-5!) USER MOD Single : A 76 SER OG : rot 52:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.627 2.331 1.836 1.00 0.00 N ATOM 2 CA ASN A 1 -14.697 1.246 1.428 1.00 0.00 C ATOM 3 C ASN A 1 -14.698 0.107 2.441 1.00 0.00 C ATOM 4 O ASN A 1 -14.261 0.276 3.581 1.00 0.00 O ATOM 5 CB ASN A 1 -13.290 1.835 1.296 1.00 0.00 C ATOM 6 CG ASN A 1 -12.807 2.471 2.586 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.210 1.806 3.433 1.00 0.00 O ATOM 8 ND2 ASN A 1 -13.065 3.763 2.741 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.448 3.177 1.259 1.00 0.00 H new ATOM 0 H2 ASN A 1 -16.609 2.018 1.696 1.00 0.00 H new ATOM 0 H3 ASN A 1 -15.476 2.558 2.840 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.024 0.835 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.596 1.049 1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.284 2.581 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -12.766 4.245 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.563 4.275 2.012 1.00 0.00 H new ATOM 16 N LYS A 2 -15.191 -1.052 2.020 1.00 0.00 N ATOM 17 CA LYS A 2 -15.249 -2.220 2.891 1.00 0.00 C ATOM 18 C LYS A 2 -15.464 -3.494 2.081 1.00 0.00 C ATOM 19 O LYS A 2 -16.577 -4.015 2.007 1.00 0.00 O ATOM 20 CB LYS A 2 -16.370 -2.060 3.920 1.00 0.00 C ATOM 21 CG LYS A 2 -16.069 -2.717 5.257 1.00 0.00 C ATOM 22 CD LYS A 2 -15.491 -1.721 6.249 1.00 0.00 C ATOM 23 CE LYS A 2 -15.926 -2.036 7.671 1.00 0.00 C ATOM 24 NZ LYS A 2 -17.331 -1.613 7.929 1.00 0.00 N ATOM 0 H LYS A 2 -15.556 -1.208 1.081 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.295 -2.300 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.555 -0.998 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.288 -2.486 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.982 -3.150 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.365 -3.537 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.403 -1.735 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.812 -0.714 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.830 -3.107 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.261 -1.534 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.572 -1.799 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.429 -0.596 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.974 -2.148 7.311 1.00 0.00 H new ATOM 38 N GLU A 3 -14.391 -3.992 1.475 1.00 0.00 N ATOM 39 CA GLU A 3 -14.462 -5.205 0.669 1.00 0.00 C ATOM 40 C GLU A 3 -13.095 -5.875 0.572 1.00 0.00 C ATOM 41 O GLU A 3 -12.391 -5.731 -0.427 1.00 0.00 O ATOM 42 CB GLU A 3 -14.985 -4.883 -0.732 1.00 0.00 C ATOM 43 CG GLU A 3 -16.445 -4.460 -0.755 1.00 0.00 C ATOM 44 CD GLU A 3 -17.363 -5.509 -0.158 1.00 0.00 C ATOM 45 OE1 GLU A 3 -17.023 -6.708 -0.232 1.00 0.00 O ATOM 46 OE2 GLU A 3 -18.424 -5.131 0.382 1.00 0.00 O ATOM 0 H GLU A 3 -13.462 -3.574 1.527 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.151 -5.894 1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.378 -4.087 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.859 -5.759 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.558 -3.527 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.746 -4.261 -1.784 1.00 0.00 H new ATOM 53 N LEU A 4 -12.726 -6.607 1.619 1.00 0.00 N ATOM 54 CA LEU A 4 -11.443 -7.299 1.651 1.00 0.00 C ATOM 55 C LEU A 4 -11.309 -8.140 2.917 1.00 0.00 C ATOM 56 O LEU A 4 -11.170 -9.361 2.852 1.00 0.00 O ATOM 57 CB LEU A 4 -10.292 -6.292 1.567 1.00 0.00 C ATOM 58 CG LEU A 4 -10.492 -5.003 2.375 1.00 0.00 C ATOM 59 CD1 LEU A 4 -9.589 -4.991 3.600 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.228 -3.783 1.505 1.00 0.00 C ATOM 0 H LEU A 4 -13.296 -6.736 2.455 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.396 -7.964 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.379 -6.779 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.138 -6.026 0.521 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.527 -4.968 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.746 -4.069 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.826 -5.845 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.547 -5.051 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.374 -2.878 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.203 -3.814 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.917 -3.782 0.661 1.00 0.00 H new ATOM 72 N ASP A 5 -11.352 -7.475 4.068 1.00 0.00 N ATOM 73 CA ASP A 5 -11.235 -8.149 5.358 1.00 0.00 C ATOM 74 C ASP A 5 -11.040 -7.130 6.478 1.00 0.00 C ATOM 75 O ASP A 5 -10.455 -6.068 6.263 1.00 0.00 O ATOM 76 CB ASP A 5 -10.067 -9.141 5.347 1.00 0.00 C ATOM 77 CG ASP A 5 -10.530 -10.579 5.226 1.00 0.00 C ATOM 78 OD1 ASP A 5 -11.692 -10.797 4.819 1.00 0.00 O ATOM 79 OD2 ASP A 5 -9.733 -11.489 5.539 1.00 0.00 O ATOM 0 H ASP A 5 -11.468 -6.464 4.134 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.159 -8.699 5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.402 -8.905 4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.487 -9.025 6.263 1.00 0.00 H new ATOM 84 N PRO A 6 -11.526 -7.438 7.690 1.00 0.00 N ATOM 85 CA PRO A 6 -11.400 -6.538 8.841 1.00 0.00 C ATOM 86 C PRO A 6 -9.979 -6.503 9.397 1.00 0.00 C ATOM 87 O PRO A 6 -9.754 -6.805 10.569 1.00 0.00 O ATOM 88 CB PRO A 6 -12.361 -7.143 9.865 1.00 0.00 C ATOM 89 CG PRO A 6 -12.402 -8.594 9.530 1.00 0.00 C ATOM 90 CD PRO A 6 -12.239 -8.683 8.037 1.00 0.00 C ATOM 0 HA PRO A 6 -11.627 -5.504 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.008 -6.981 10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.351 -6.692 9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.606 -9.135 10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.345 -9.040 9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.668 -9.566 7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.203 -8.747 7.532 1.00 0.00 H new ATOM 98 N VAL A 7 -9.023 -6.125 8.549 1.00 0.00 N ATOM 99 CA VAL A 7 -7.623 -6.045 8.956 1.00 0.00 C ATOM 100 C VAL A 7 -6.721 -5.668 7.785 1.00 0.00 C ATOM 101 O VAL A 7 -5.670 -5.060 7.974 1.00 0.00 O ATOM 102 CB VAL A 7 -7.130 -7.375 9.564 1.00 0.00 C ATOM 103 CG1 VAL A 7 -7.237 -8.501 8.548 1.00 0.00 C ATOM 104 CG2 VAL A 7 -5.700 -7.237 10.068 1.00 0.00 C ATOM 0 H VAL A 7 -9.194 -5.870 7.576 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.567 -5.265 9.716 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.768 -7.621 10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.885 -9.430 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.277 -8.617 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.627 -8.264 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.371 -8.185 10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.047 -6.965 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.657 -6.462 10.833 1.00 0.00 H new ATOM 114 N GLN A 8 -7.132 -6.028 6.576 1.00 0.00 N ATOM 115 CA GLN A 8 -6.351 -5.714 5.387 1.00 0.00 C ATOM 116 C GLN A 8 -6.728 -4.339 4.836 1.00 0.00 C ATOM 117 O GLN A 8 -6.239 -3.924 3.785 1.00 0.00 O ATOM 118 CB GLN A 8 -6.555 -6.801 4.325 1.00 0.00 C ATOM 119 CG GLN A 8 -5.958 -6.468 2.966 1.00 0.00 C ATOM 120 CD GLN A 8 -5.878 -7.674 2.051 1.00 0.00 C ATOM 121 OE1 GLN A 8 -4.892 -7.863 1.339 1.00 0.00 O ATOM 122 NE2 GLN A 8 -6.921 -8.496 2.064 1.00 0.00 N ATOM 0 H GLN A 8 -7.998 -6.535 6.393 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.296 -5.685 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.114 -7.731 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.624 -6.980 4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.560 -5.694 2.489 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.959 -6.055 3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.717 -8.300 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.926 -9.323 1.468 1.00 0.00 H new ATOM 131 N LYS A 9 -7.588 -3.628 5.558 1.00 0.00 N ATOM 132 CA LYS A 9 -8.013 -2.297 5.146 1.00 0.00 C ATOM 133 C LYS A 9 -7.356 -1.233 6.017 1.00 0.00 C ATOM 134 O LYS A 9 -7.191 -0.089 5.596 1.00 0.00 O ATOM 135 CB LYS A 9 -9.535 -2.169 5.224 1.00 0.00 C ATOM 136 CG LYS A 9 -10.138 -2.795 6.472 1.00 0.00 C ATOM 137 CD LYS A 9 -11.345 -2.011 6.961 1.00 0.00 C ATOM 138 CE LYS A 9 -11.795 -2.482 8.335 1.00 0.00 C ATOM 139 NZ LYS A 9 -12.559 -1.430 9.059 1.00 0.00 N ATOM 0 H LYS A 9 -8.004 -3.952 6.431 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.702 -2.146 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.804 -1.113 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.976 -2.637 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.432 -3.823 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.386 -2.836 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.099 -0.950 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.164 -2.122 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.415 -3.372 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.924 -2.768 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.139 -1.871 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.896 -0.756 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.176 -0.927 8.390 1.00 0.00 H new ATOM 153 N LEU A 10 -6.979 -1.616 7.235 1.00 0.00 N ATOM 154 CA LEU A 10 -6.339 -0.686 8.154 1.00 0.00 C ATOM 155 C LEU A 10 -4.836 -0.608 7.891 1.00 0.00 C ATOM 156 O LEU A 10 -4.183 0.358 8.285 1.00 0.00 O ATOM 157 CB LEU A 10 -6.640 -1.078 9.613 1.00 0.00 C ATOM 158 CG LEU A 10 -5.527 -1.808 10.382 1.00 0.00 C ATOM 159 CD1 LEU A 10 -4.990 -2.981 9.578 1.00 0.00 C ATOM 160 CD2 LEU A 10 -4.406 -0.844 10.749 1.00 0.00 C ATOM 0 H LEU A 10 -7.106 -2.558 7.604 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.751 0.309 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.893 -0.171 10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.527 -1.711 9.618 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.954 -2.201 11.304 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.204 -3.481 10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.797 -3.686 9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.583 -2.619 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.628 -1.380 11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.983 -0.415 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.803 -0.046 11.377 1.00 0.00 H new ATOM 172 N PHE A 11 -4.287 -1.619 7.217 1.00 0.00 N ATOM 173 CA PHE A 11 -2.864 -1.629 6.911 1.00 0.00 C ATOM 174 C PHE A 11 -2.582 -0.802 5.660 1.00 0.00 C ATOM 175 O PHE A 11 -1.488 -0.264 5.494 1.00 0.00 O ATOM 176 CB PHE A 11 -2.354 -3.070 6.747 1.00 0.00 C ATOM 177 CG PHE A 11 -2.298 -3.553 5.324 1.00 0.00 C ATOM 178 CD1 PHE A 11 -3.458 -3.703 4.585 1.00 0.00 C ATOM 179 CD2 PHE A 11 -1.084 -3.854 4.727 1.00 0.00 C ATOM 180 CE1 PHE A 11 -3.409 -4.144 3.277 1.00 0.00 C ATOM 181 CE2 PHE A 11 -1.029 -4.296 3.420 1.00 0.00 C ATOM 182 CZ PHE A 11 -2.194 -4.441 2.693 1.00 0.00 C ATOM 0 H PHE A 11 -4.803 -2.431 6.878 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.327 -1.177 7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.357 -3.141 7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.999 -3.738 7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.412 -3.473 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.170 -3.741 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.322 -4.257 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.076 -4.528 2.967 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.155 -4.786 1.670 1.00 0.00 H new ATOM 192 N VAL A 12 -3.579 -0.693 4.788 1.00 0.00 N ATOM 193 CA VAL A 12 -3.433 0.081 3.563 1.00 0.00 C ATOM 194 C VAL A 12 -3.380 1.573 3.865 1.00 0.00 C ATOM 195 O VAL A 12 -2.834 2.354 3.085 1.00 0.00 O ATOM 196 CB VAL A 12 -4.588 -0.187 2.579 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.323 0.496 1.245 1.00 0.00 C ATOM 198 CG2 VAL A 12 -4.797 -1.680 2.389 1.00 0.00 C ATOM 0 H VAL A 12 -4.493 -1.130 4.907 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.497 -0.234 3.103 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.502 0.231 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.149 0.295 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.232 1.571 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.398 0.111 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.617 -1.847 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.886 -2.127 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.038 -2.139 3.348 1.00 0.00 H new ATOM 208 N ASP A 13 -3.955 1.969 4.999 1.00 0.00 N ATOM 209 CA ASP A 13 -3.973 3.374 5.387 1.00 0.00 C ATOM 210 C ASP A 13 -2.775 3.735 6.260 1.00 0.00 C ATOM 211 O ASP A 13 -2.661 4.870 6.725 1.00 0.00 O ATOM 212 CB ASP A 13 -5.274 3.710 6.116 1.00 0.00 C ATOM 213 CG ASP A 13 -6.368 4.159 5.167 1.00 0.00 C ATOM 214 OD1 ASP A 13 -6.039 4.598 4.045 1.00 0.00 O ATOM 215 OD2 ASP A 13 -7.555 4.073 5.546 1.00 0.00 O ATOM 0 H ASP A 13 -4.411 1.340 5.660 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.911 3.966 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.614 2.835 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.085 4.496 6.847 1.00 0.00 H new ATOM 220 N LYS A 14 -1.866 2.786 6.456 1.00 0.00 N ATOM 221 CA LYS A 14 -0.669 3.040 7.241 1.00 0.00 C ATOM 222 C LYS A 14 0.536 2.855 6.352 1.00 0.00 C ATOM 223 O LYS A 14 1.515 3.597 6.439 1.00 0.00 O ATOM 224 CB LYS A 14 -0.597 2.120 8.466 1.00 0.00 C ATOM 225 CG LYS A 14 -0.237 0.680 8.138 1.00 0.00 C ATOM 226 CD LYS A 14 -0.003 -0.136 9.399 1.00 0.00 C ATOM 227 CE LYS A 14 1.468 -0.149 9.788 1.00 0.00 C ATOM 228 NZ LYS A 14 1.651 -0.278 11.259 1.00 0.00 N ATOM 0 H LYS A 14 -1.937 1.839 6.083 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.694 4.063 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.140 2.518 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.560 2.136 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.038 0.227 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.660 0.660 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.593 0.278 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.348 -1.158 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.969 -0.976 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.943 0.769 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.666 -0.283 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.195 0.525 11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.220 -1.166 11.586 1.00 0.00 H new ATOM 242 N ILE A 15 0.431 1.889 5.459 1.00 0.00 N ATOM 243 CA ILE A 15 1.477 1.636 4.510 1.00 0.00 C ATOM 244 C ILE A 15 1.393 2.676 3.391 1.00 0.00 C ATOM 245 O ILE A 15 2.333 2.886 2.629 1.00 0.00 O ATOM 246 CB ILE A 15 1.367 0.221 3.933 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.127 0.122 3.053 1.00 0.00 C ATOM 248 CG2 ILE A 15 1.330 -0.808 5.059 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.199 -1.290 2.650 1.00 0.00 C ATOM 0 H ILE A 15 -0.375 1.269 5.378 1.00 0.00 H new ATOM 0 HA ILE A 15 2.441 1.712 5.013 1.00 0.00 H new ATOM 0 HB ILE A 15 2.243 0.010 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.724 0.547 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.276 0.724 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.252 -1.809 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.243 -0.734 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.468 -0.617 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.092 -1.293 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.637 -1.711 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.378 -1.891 3.542 1.00 0.00 H new ATOM 261 N ARG A 16 0.266 3.371 3.318 1.00 0.00 N ATOM 262 CA ARG A 16 0.118 4.414 2.331 1.00 0.00 C ATOM 263 C ARG A 16 0.612 5.723 2.931 1.00 0.00 C ATOM 264 O ARG A 16 0.502 6.783 2.317 1.00 0.00 O ATOM 265 CB ARG A 16 -1.338 4.538 1.870 1.00 0.00 C ATOM 266 CG ARG A 16 -2.273 5.094 2.933 1.00 0.00 C ATOM 267 CD ARG A 16 -2.358 6.610 2.863 1.00 0.00 C ATOM 268 NE ARG A 16 -3.544 7.124 3.542 1.00 0.00 N ATOM 269 CZ ARG A 16 -3.819 8.420 3.676 1.00 0.00 C ATOM 270 NH1 ARG A 16 -2.995 9.335 3.181 1.00 0.00 N ATOM 271 NH2 ARG A 16 -4.920 8.803 4.308 1.00 0.00 N ATOM 0 H ARG A 16 -0.543 3.230 3.923 1.00 0.00 H new ATOM 0 HA ARG A 16 0.711 4.167 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.378 5.182 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.697 3.556 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.267 4.667 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.923 4.793 3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.466 7.044 3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.373 6.924 1.819 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.201 6.451 3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.146 9.047 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.211 10.326 3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.557 8.105 4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.130 9.796 4.410 1.00 0.00 H new ATOM 285 N GLU A 17 1.157 5.631 4.151 1.00 0.00 N ATOM 286 CA GLU A 17 1.671 6.793 4.853 1.00 0.00 C ATOM 287 C GLU A 17 3.194 6.743 4.971 1.00 0.00 C ATOM 288 O GLU A 17 3.844 7.774 5.142 1.00 0.00 O ATOM 289 CB GLU A 17 1.047 6.883 6.242 1.00 0.00 C ATOM 290 CG GLU A 17 -0.422 6.493 6.280 1.00 0.00 C ATOM 291 CD GLU A 17 -1.330 7.587 5.753 1.00 0.00 C ATOM 292 OE1 GLU A 17 -0.834 8.468 5.019 1.00 0.00 O ATOM 293 OE2 GLU A 17 -2.536 7.565 6.077 1.00 0.00 O ATOM 0 H GLU A 17 1.249 4.756 4.666 1.00 0.00 H new ATOM 0 HA GLU A 17 1.404 7.679 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.603 6.238 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.153 7.903 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.569 5.588 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.704 6.254 7.305 1.00 0.00 H new ATOM 300 N TYR A 18 3.754 5.549 4.861 1.00 0.00 N ATOM 301 CA TYR A 18 5.199 5.375 4.936 1.00 0.00 C ATOM 302 C TYR A 18 5.786 5.277 3.528 1.00 0.00 C ATOM 303 O TYR A 18 6.925 5.679 3.293 1.00 0.00 O ATOM 304 CB TYR A 18 5.550 4.120 5.747 1.00 0.00 C ATOM 305 CG TYR A 18 5.493 2.869 4.914 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.343 2.568 4.225 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.580 2.018 4.784 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.250 1.467 3.431 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.503 0.896 3.980 1.00 0.00 C ATOM 310 CZ TYR A 18 5.333 0.625 3.301 1.00 0.00 C ATOM 311 OH TYR A 18 5.249 -0.490 2.499 1.00 0.00 O ATOM 0 H TYR A 18 3.231 4.685 4.719 1.00 0.00 H new ATOM 0 HA TYR A 18 5.629 6.240 5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.550 4.229 6.167 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.860 4.027 6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.489 3.223 4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.495 2.234 5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.331 1.254 2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.353 0.236 3.884 1.00 0.00 H new ATOM 0 HH TYR A 18 6.102 -0.973 2.519 1.00 0.00 H new ATOM 321 N ARG A 19 4.992 4.757 2.589 1.00 0.00 N ATOM 322 CA ARG A 19 5.437 4.634 1.207 1.00 0.00 C ATOM 323 C ARG A 19 5.257 5.968 0.509 1.00 0.00 C ATOM 324 O ARG A 19 6.026 6.338 -0.377 1.00 0.00 O ATOM 325 CB ARG A 19 4.650 3.544 0.478 1.00 0.00 C ATOM 326 CG ARG A 19 4.958 3.463 -1.011 1.00 0.00 C ATOM 327 CD ARG A 19 5.397 2.066 -1.417 1.00 0.00 C ATOM 328 NE ARG A 19 6.496 2.093 -2.379 1.00 0.00 N ATOM 329 CZ ARG A 19 6.337 2.302 -3.684 1.00 0.00 C ATOM 330 NH1 ARG A 19 5.125 2.504 -4.187 1.00 0.00 N ATOM 331 NH2 ARG A 19 7.392 2.310 -4.487 1.00 0.00 N ATOM 0 H ARG A 19 4.046 4.418 2.762 1.00 0.00 H new ATOM 0 HA ARG A 19 6.490 4.352 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.868 2.580 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.584 3.727 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.074 3.747 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.742 4.178 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.705 1.511 -0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.551 1.532 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 19 7.442 1.943 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.311 2.499 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.008 2.664 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.325 2.156 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.271 2.470 -5.487 1.00 0.00 H new ATOM 345 N THR A 20 4.240 6.698 0.946 1.00 0.00 N ATOM 346 CA THR A 20 3.946 8.011 0.405 1.00 0.00 C ATOM 347 C THR A 20 5.160 8.919 0.565 1.00 0.00 C ATOM 348 O THR A 20 5.467 9.727 -0.310 1.00 0.00 O ATOM 349 CB THR A 20 2.755 8.600 1.150 1.00 0.00 C ATOM 350 OG1 THR A 20 2.734 10.013 1.055 1.00 0.00 O ATOM 351 CG2 THR A 20 2.771 8.230 2.606 1.00 0.00 C ATOM 0 H THR A 20 3.601 6.396 1.681 1.00 0.00 H new ATOM 0 HA THR A 20 3.708 7.927 -0.655 1.00 0.00 H new ATOM 0 HB THR A 20 1.866 8.183 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.958 10.362 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.906 8.669 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.735 7.145 2.706 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.684 8.607 3.067 1.00 0.00 H new ATOM 359 N LYS A 21 5.852 8.772 1.693 1.00 0.00 N ATOM 360 CA LYS A 21 7.036 9.574 1.969 1.00 0.00 C ATOM 361 C LYS A 21 8.179 9.202 1.027 1.00 0.00 C ATOM 362 O LYS A 21 9.099 9.990 0.813 1.00 0.00 O ATOM 363 CB LYS A 21 7.473 9.386 3.423 1.00 0.00 C ATOM 364 CG LYS A 21 7.832 10.686 4.123 1.00 0.00 C ATOM 365 CD LYS A 21 6.590 11.433 4.583 1.00 0.00 C ATOM 366 CE LYS A 21 5.781 10.613 5.575 1.00 0.00 C ATOM 367 NZ LYS A 21 5.223 11.455 6.667 1.00 0.00 N ATOM 0 H LYS A 21 5.612 8.106 2.427 1.00 0.00 H new ATOM 0 HA LYS A 21 6.783 10.621 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.671 8.896 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.334 8.718 3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.469 10.474 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.408 11.318 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.882 12.377 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.970 11.677 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.967 10.111 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.413 9.835 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.678 10.858 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.000 11.915 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.600 12.182 6.261 1.00 0.00 H new ATOM 381 N ARG A 22 8.113 7.996 0.465 1.00 0.00 N ATOM 382 CA ARG A 22 9.146 7.527 -0.453 1.00 0.00 C ATOM 383 C ARG A 22 8.631 7.481 -1.894 1.00 0.00 C ATOM 384 O ARG A 22 9.244 6.855 -2.758 1.00 0.00 O ATOM 385 CB ARG A 22 9.647 6.142 -0.020 1.00 0.00 C ATOM 386 CG ARG A 22 8.786 4.983 -0.504 1.00 0.00 C ATOM 387 CD ARG A 22 9.377 3.643 -0.098 1.00 0.00 C ATOM 388 NE ARG A 22 10.750 3.485 -0.570 1.00 0.00 N ATOM 389 CZ ARG A 22 11.073 3.161 -1.820 1.00 0.00 C ATOM 390 NH1 ARG A 22 10.123 2.960 -2.726 1.00 0.00 N ATOM 391 NH2 ARG A 22 12.347 3.038 -2.166 1.00 0.00 N ATOM 0 H ARG A 22 7.358 7.330 0.629 1.00 0.00 H new ATOM 0 HA ARG A 22 9.976 8.233 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.663 6.004 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.698 6.111 1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.781 5.078 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.692 5.027 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.354 3.551 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.761 2.838 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 22 11.507 3.632 0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.141 3.054 -2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.375 2.712 -3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.081 3.192 -1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.594 2.790 -3.124 1.00 0.00 H new ATOM 405 N GLN A 23 7.504 8.144 -2.147 1.00 0.00 N ATOM 406 CA GLN A 23 6.920 8.167 -3.484 1.00 0.00 C ATOM 407 C GLN A 23 7.885 8.790 -4.492 1.00 0.00 C ATOM 408 O GLN A 23 7.884 8.431 -5.669 1.00 0.00 O ATOM 409 CB GLN A 23 5.592 8.935 -3.473 1.00 0.00 C ATOM 410 CG GLN A 23 5.748 10.450 -3.469 1.00 0.00 C ATOM 411 CD GLN A 23 4.804 11.138 -2.500 1.00 0.00 C ATOM 412 OE1 GLN A 23 3.604 10.589 -2.344 1.00 0.00 O flip ATOM 413 NE2 GLN A 23 5.150 12.155 -1.898 1.00 0.00 N flip ATOM 0 H GLN A 23 6.980 8.669 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 23 6.729 7.138 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.009 8.643 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.020 8.637 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.776 10.704 -3.209 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.570 10.831 -4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.081 12.544 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.505 12.608 -1.250 1.00 0.00 H new ATOM 422 N THR A 24 8.705 9.723 -4.021 1.00 0.00 N ATOM 423 CA THR A 24 9.674 10.394 -4.881 1.00 0.00 C ATOM 424 C THR A 24 10.708 9.406 -5.408 1.00 0.00 C ATOM 425 O THR A 24 11.659 9.055 -4.708 1.00 0.00 O ATOM 426 CB THR A 24 10.370 11.521 -4.116 1.00 0.00 C ATOM 427 OG1 THR A 24 11.258 10.995 -3.146 1.00 0.00 O ATOM 428 CG2 THR A 24 9.407 12.446 -3.405 1.00 0.00 C ATOM 0 H THR A 24 8.718 10.032 -3.049 1.00 0.00 H new ATOM 0 HA THR A 24 9.138 10.818 -5.730 1.00 0.00 H new ATOM 0 HB THR A 24 10.906 12.094 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.332 10.025 -3.262 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.967 13.222 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.741 12.907 -4.134 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.819 11.876 -2.686 1.00 0.00 H new ATOM 436 N SER A 25 10.518 8.959 -6.644 1.00 0.00 N ATOM 437 CA SER A 25 11.435 8.011 -7.263 1.00 0.00 C ATOM 438 C SER A 25 11.367 8.097 -8.784 1.00 0.00 C ATOM 439 O SER A 25 12.396 8.143 -9.460 1.00 0.00 O ATOM 440 CB SER A 25 11.115 6.586 -6.807 1.00 0.00 C ATOM 441 OG SER A 25 9.726 6.429 -6.565 1.00 0.00 O ATOM 0 H SER A 25 9.737 9.238 -7.237 1.00 0.00 H new ATOM 0 HA SER A 25 12.447 8.268 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.438 5.876 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.674 6.357 -5.900 1.00 0.00 H new ATOM 0 HG SER A 25 9.546 5.510 -6.276 1.00 0.00 H new ATOM 447 N GLY A 26 10.150 8.116 -9.319 1.00 0.00 N ATOM 448 CA GLY A 26 9.974 8.193 -10.758 1.00 0.00 C ATOM 449 C GLY A 26 10.656 7.050 -11.484 1.00 0.00 C ATOM 450 O GLY A 26 11.810 7.168 -11.894 1.00 0.00 O ATOM 0 H GLY A 26 9.283 8.079 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.910 8.185 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.373 9.140 -11.120 1.00 0.00 H new ATOM 454 N GLY A 27 9.942 5.940 -11.638 1.00 0.00 N ATOM 455 CA GLY A 27 10.505 4.786 -12.314 1.00 0.00 C ATOM 456 C GLY A 27 9.623 3.555 -12.209 1.00 0.00 C ATOM 457 O GLY A 27 9.235 2.984 -13.229 1.00 0.00 O ATOM 0 H GLY A 27 8.985 5.819 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.661 5.027 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.484 4.563 -11.889 1.00 0.00 H new ATOM 461 N PRO A 28 9.285 3.116 -10.983 1.00 0.00 N ATOM 462 CA PRO A 28 8.438 1.935 -10.775 1.00 0.00 C ATOM 463 C PRO A 28 7.052 2.100 -11.386 1.00 0.00 C ATOM 464 O PRO A 28 6.603 1.258 -12.166 1.00 0.00 O ATOM 465 CB PRO A 28 8.339 1.819 -9.248 1.00 0.00 C ATOM 466 CG PRO A 28 8.698 3.171 -8.733 1.00 0.00 C ATOM 467 CD PRO A 28 9.697 3.726 -9.707 1.00 0.00 C ATOM 0 HA PRO A 28 8.858 1.050 -11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.334 1.533 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.019 1.058 -8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.818 3.811 -8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.122 3.108 -7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.659 4.815 -9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.718 3.453 -9.439 1.00 0.00 H new ATOM 475 N VAL A 29 6.377 3.186 -11.029 1.00 0.00 N ATOM 476 CA VAL A 29 5.040 3.457 -11.542 1.00 0.00 C ATOM 477 C VAL A 29 5.099 4.233 -12.847 1.00 0.00 C ATOM 478 O VAL A 29 6.160 4.713 -13.246 1.00 0.00 O ATOM 479 CB VAL A 29 4.191 4.249 -10.526 1.00 0.00 C ATOM 480 CG1 VAL A 29 4.147 3.529 -9.187 1.00 0.00 C ATOM 481 CG2 VAL A 29 4.724 5.671 -10.357 1.00 0.00 C ATOM 0 H VAL A 29 6.734 3.893 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 29 4.571 2.489 -11.717 1.00 0.00 H new ATOM 0 HB VAL A 29 3.175 4.315 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.543 4.104 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.707 2.541 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.159 3.426 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.108 6.207 -9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.753 5.634 -9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.693 6.188 -11.316 1.00 0.00 H new ATOM 491 N ASP A 30 3.946 4.376 -13.500 1.00 0.00 N ATOM 492 CA ASP A 30 3.872 5.126 -14.749 1.00 0.00 C ATOM 493 C ASP A 30 4.573 6.468 -14.576 1.00 0.00 C ATOM 494 O ASP A 30 5.112 7.034 -15.527 1.00 0.00 O ATOM 495 CB ASP A 30 2.415 5.341 -15.161 1.00 0.00 C ATOM 496 CG ASP A 30 1.558 5.848 -14.017 1.00 0.00 C ATOM 497 OD1 ASP A 30 1.941 6.860 -13.394 1.00 0.00 O ATOM 498 OD2 ASP A 30 0.506 5.234 -13.746 1.00 0.00 O ATOM 0 H ASP A 30 3.058 3.985 -13.186 1.00 0.00 H new ATOM 0 HA ASP A 30 4.368 4.557 -15.535 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.375 6.054 -15.985 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.003 4.402 -15.531 1.00 0.00 H new ATOM 503 N ALA A 31 4.574 6.955 -13.336 1.00 0.00 N ATOM 504 CA ALA A 31 5.220 8.210 -12.999 1.00 0.00 C ATOM 505 C ALA A 31 4.534 9.385 -13.678 1.00 0.00 C ATOM 506 O ALA A 31 5.152 10.419 -13.930 1.00 0.00 O ATOM 507 CB ALA A 31 6.691 8.143 -13.364 1.00 0.00 C ATOM 0 H ALA A 31 4.128 6.490 -12.545 1.00 0.00 H new ATOM 0 HA ALA A 31 5.134 8.369 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.172 9.087 -13.109 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.166 7.333 -12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.792 7.961 -14.434 1.00 0.00 H new ATOM 513 N GLY A 32 3.245 9.224 -13.954 1.00 0.00 N ATOM 514 CA GLY A 32 2.486 10.285 -14.580 1.00 0.00 C ATOM 515 C GLY A 32 1.970 11.275 -13.558 1.00 0.00 C ATOM 516 O GLY A 32 2.430 11.280 -12.416 1.00 0.00 O ATOM 0 H GLY A 32 2.714 8.376 -13.755 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.113 10.803 -15.306 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.648 9.858 -15.130 1.00 0.00 H new ATOM 520 N PRO A 33 1.013 12.134 -13.930 1.00 0.00 N ATOM 521 CA PRO A 33 0.458 13.124 -13.013 1.00 0.00 C ATOM 522 C PRO A 33 -0.597 12.537 -12.090 1.00 0.00 C ATOM 523 O PRO A 33 -1.739 12.317 -12.491 1.00 0.00 O ATOM 524 CB PRO A 33 -0.157 14.154 -13.955 1.00 0.00 C ATOM 525 CG PRO A 33 -0.576 13.363 -15.149 1.00 0.00 C ATOM 526 CD PRO A 33 0.399 12.216 -15.269 1.00 0.00 C ATOM 0 HA PRO A 33 1.212 13.534 -12.341 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.007 14.657 -13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.563 14.927 -14.223 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.595 12.995 -15.032 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.561 13.980 -16.047 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.106 11.288 -15.535 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.146 12.405 -16.040 1.00 0.00 H new ATOM 534 N GLU A 34 -0.188 12.290 -10.847 1.00 0.00 N ATOM 535 CA GLU A 34 -1.057 11.729 -9.818 1.00 0.00 C ATOM 536 C GLU A 34 -0.963 10.215 -9.805 1.00 0.00 C ATOM 537 O GLU A 34 -1.928 9.516 -9.498 1.00 0.00 O ATOM 538 CB GLU A 34 -2.515 12.174 -9.988 1.00 0.00 C ATOM 539 CG GLU A 34 -2.672 13.664 -10.248 1.00 0.00 C ATOM 540 CD GLU A 34 -3.629 13.962 -11.386 1.00 0.00 C ATOM 541 OE1 GLU A 34 -4.631 13.230 -11.526 1.00 0.00 O ATOM 542 OE2 GLU A 34 -3.376 14.926 -12.138 1.00 0.00 O ATOM 0 H GLU A 34 0.762 12.475 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.709 12.113 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.961 11.621 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.073 11.910 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.030 14.151 -9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.697 14.093 -10.477 1.00 0.00 H new ATOM 549 N TYR A 35 0.231 9.724 -10.101 1.00 0.00 N ATOM 550 CA TYR A 35 0.508 8.297 -10.090 1.00 0.00 C ATOM 551 C TYR A 35 0.365 7.750 -8.671 1.00 0.00 C ATOM 552 O TYR A 35 0.508 6.554 -8.450 1.00 0.00 O ATOM 553 CB TYR A 35 1.942 8.068 -10.545 1.00 0.00 C ATOM 554 CG TYR A 35 2.900 8.470 -9.459 1.00 0.00 C ATOM 555 CD1 TYR A 35 3.286 9.791 -9.312 1.00 0.00 C ATOM 556 CD2 TYR A 35 3.354 7.541 -8.540 1.00 0.00 C ATOM 557 CE1 TYR A 35 4.116 10.176 -8.282 1.00 0.00 C ATOM 558 CE2 TYR A 35 4.176 7.912 -7.503 1.00 0.00 C ATOM 559 CZ TYR A 35 4.560 9.234 -7.375 1.00 0.00 C ATOM 560 OH TYR A 35 5.383 9.612 -6.340 1.00 0.00 O ATOM 0 H TYR A 35 1.032 10.302 -10.355 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.194 7.792 -10.754 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.088 7.018 -10.799 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.141 8.645 -11.448 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.931 10.531 -10.015 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.058 6.507 -8.639 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.418 11.208 -8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.520 7.175 -6.792 1.00 0.00 H new ATOM 0 HH TYR A 35 6.240 9.143 -6.415 1.00 0.00 H new ATOM 570 N GLN A 36 0.117 8.642 -7.707 1.00 0.00 N ATOM 571 CA GLN A 36 -0.016 8.255 -6.303 1.00 0.00 C ATOM 572 C GLN A 36 -0.842 6.982 -6.153 1.00 0.00 C ATOM 573 O GLN A 36 -0.672 6.226 -5.198 1.00 0.00 O ATOM 574 CB GLN A 36 -0.658 9.388 -5.501 1.00 0.00 C ATOM 575 CG GLN A 36 0.097 10.704 -5.594 1.00 0.00 C ATOM 576 CD GLN A 36 1.561 10.564 -5.223 1.00 0.00 C ATOM 577 OE1 GLN A 36 2.437 11.111 -6.057 1.00 0.00 O flip ATOM 578 NE2 GLN A 36 1.899 9.971 -4.199 1.00 0.00 N flip ATOM 0 H GLN A 36 0.004 9.641 -7.877 1.00 0.00 H new ATOM 0 HA GLN A 36 0.984 8.059 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.678 9.539 -5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.723 9.089 -4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.019 11.092 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.372 11.435 -4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.191 9.566 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.887 9.885 -3.962 1.00 0.00 H new ATOM 587 N GLN A 37 -1.733 6.755 -7.105 1.00 0.00 N ATOM 588 CA GLN A 37 -2.586 5.572 -7.083 1.00 0.00 C ATOM 589 C GLN A 37 -1.823 4.325 -7.533 1.00 0.00 C ATOM 590 O GLN A 37 -2.337 3.211 -7.437 1.00 0.00 O ATOM 591 CB GLN A 37 -3.811 5.783 -7.974 1.00 0.00 C ATOM 592 CG GLN A 37 -4.650 6.988 -7.579 1.00 0.00 C ATOM 593 CD GLN A 37 -5.767 7.270 -8.565 1.00 0.00 C ATOM 594 OE1 GLN A 37 -6.078 6.441 -9.420 1.00 0.00 O ATOM 595 NE2 GLN A 37 -6.375 8.444 -8.450 1.00 0.00 N ATOM 0 H GLN A 37 -1.886 7.372 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.912 5.418 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.483 5.902 -9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.434 4.889 -7.938 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.077 6.820 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.007 7.865 -7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.084 9.100 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.134 8.690 -9.086 1.00 0.00 H new ATOM 604 N ASP A 38 -0.596 4.511 -8.020 1.00 0.00 N ATOM 605 CA ASP A 38 0.217 3.390 -8.473 1.00 0.00 C ATOM 606 C ASP A 38 1.196 2.954 -7.387 1.00 0.00 C ATOM 607 O ASP A 38 1.719 1.839 -7.421 1.00 0.00 O ATOM 608 CB ASP A 38 0.978 3.764 -9.745 1.00 0.00 C ATOM 609 CG ASP A 38 1.478 2.547 -10.498 1.00 0.00 C ATOM 610 OD1 ASP A 38 1.579 1.466 -9.880 1.00 0.00 O ATOM 611 OD2 ASP A 38 1.769 2.675 -11.707 1.00 0.00 O ATOM 0 H ASP A 38 -0.148 5.423 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.449 2.555 -8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.328 4.349 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.824 4.400 -9.485 1.00 0.00 H new ATOM 616 N LEU A 39 1.437 3.833 -6.419 1.00 0.00 N ATOM 617 CA LEU A 39 2.346 3.528 -5.322 1.00 0.00 C ATOM 618 C LEU A 39 1.593 2.850 -4.183 1.00 0.00 C ATOM 619 O LEU A 39 2.164 2.062 -3.428 1.00 0.00 O ATOM 620 CB LEU A 39 3.035 4.802 -4.823 1.00 0.00 C ATOM 621 CG LEU A 39 2.185 5.700 -3.920 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.423 5.364 -2.455 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.490 7.166 -4.185 1.00 0.00 C ATOM 0 H LEU A 39 1.016 4.761 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 39 3.112 2.845 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.936 4.518 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.355 5.384 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 39 1.135 5.519 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.810 6.013 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.154 4.324 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.475 5.515 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.876 7.789 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.544 7.360 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.269 7.401 -5.226 1.00 0.00 H new ATOM 635 N ASP A 40 0.303 3.159 -4.067 1.00 0.00 N ATOM 636 CA ASP A 40 -0.530 2.576 -3.023 1.00 0.00 C ATOM 637 C ASP A 40 -0.933 1.151 -3.390 1.00 0.00 C ATOM 638 O ASP A 40 -1.119 0.304 -2.516 1.00 0.00 O ATOM 639 CB ASP A 40 -1.778 3.431 -2.798 1.00 0.00 C ATOM 640 CG ASP A 40 -2.530 3.037 -1.542 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.033 1.895 -1.485 1.00 0.00 O ATOM 642 OD2 ASP A 40 -2.616 3.869 -0.615 1.00 0.00 O ATOM 0 H ASP A 40 -0.185 3.809 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 40 0.049 2.547 -2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.489 4.480 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.440 3.337 -3.659 1.00 0.00 H new ATOM 647 N ARG A 41 -1.064 0.893 -4.687 1.00 0.00 N ATOM 648 CA ARG A 41 -1.441 -0.431 -5.168 1.00 0.00 C ATOM 649 C ARG A 41 -0.297 -1.420 -4.972 1.00 0.00 C ATOM 650 O ARG A 41 -0.523 -2.604 -4.726 1.00 0.00 O ATOM 651 CB ARG A 41 -1.838 -0.370 -6.644 1.00 0.00 C ATOM 652 CG ARG A 41 -0.690 0.010 -7.567 1.00 0.00 C ATOM 653 CD ARG A 41 -0.183 -1.185 -8.359 1.00 0.00 C ATOM 654 NE ARG A 41 1.138 -1.620 -7.910 1.00 0.00 N ATOM 655 CZ ARG A 41 1.699 -2.773 -8.264 1.00 0.00 C ATOM 656 NH1 ARG A 41 1.059 -3.610 -9.070 1.00 0.00 N ATOM 657 NH2 ARG A 41 2.905 -3.089 -7.811 1.00 0.00 N ATOM 0 H ARG A 41 -0.915 1.583 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.298 -0.773 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.231 -1.341 -6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.645 0.352 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.019 0.789 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.126 0.429 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.889 -2.010 -8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.139 -0.926 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 41 1.661 -1.003 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.132 -3.371 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.494 -4.493 -9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.401 -2.448 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.336 -3.973 -8.082 1.00 0.00 H new ATOM 671 N GLU A 42 0.932 -0.924 -5.077 1.00 0.00 N ATOM 672 CA GLU A 42 2.109 -1.765 -4.904 1.00 0.00 C ATOM 673 C GLU A 42 2.159 -2.322 -3.487 1.00 0.00 C ATOM 674 O GLU A 42 2.541 -3.473 -3.272 1.00 0.00 O ATOM 675 CB GLU A 42 3.383 -0.970 -5.200 1.00 0.00 C ATOM 676 CG GLU A 42 4.656 -1.788 -5.059 1.00 0.00 C ATOM 677 CD GLU A 42 5.840 -1.147 -5.757 1.00 0.00 C ATOM 678 OE1 GLU A 42 5.900 0.099 -5.800 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.707 -1.892 -6.260 1.00 0.00 O ATOM 0 H GLU A 42 1.137 0.054 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 42 2.044 -2.596 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.326 -0.573 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.433 -0.115 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.887 -1.915 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.491 -2.784 -5.471 1.00 0.00 H new ATOM 686 N LEU A 43 1.761 -1.497 -2.524 1.00 0.00 N ATOM 687 CA LEU A 43 1.749 -1.905 -1.126 1.00 0.00 C ATOM 688 C LEU A 43 0.738 -3.021 -0.906 1.00 0.00 C ATOM 689 O LEU A 43 1.087 -4.106 -0.441 1.00 0.00 O ATOM 690 CB LEU A 43 1.419 -0.709 -0.230 1.00 0.00 C ATOM 691 CG LEU A 43 2.493 -0.360 0.800 1.00 0.00 C ATOM 692 CD1 LEU A 43 2.969 -1.612 1.520 1.00 0.00 C ATOM 693 CD2 LEU A 43 3.655 0.345 0.130 1.00 0.00 C ATOM 0 H LEU A 43 1.443 -0.542 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 43 2.739 -2.278 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.245 0.162 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.486 -0.913 0.295 1.00 0.00 H new ATOM 0 HG LEU A 43 2.059 0.314 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.733 -1.344 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.128 -2.080 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.388 -2.311 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.412 0.588 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.088 -0.307 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.302 1.263 -0.340 1.00 0.00 H new ATOM 705 N PHE A 44 -0.516 -2.755 -1.259 1.00 0.00 N ATOM 706 CA PHE A 44 -1.571 -3.749 -1.114 1.00 0.00 C ATOM 707 C PHE A 44 -1.211 -5.011 -1.896 1.00 0.00 C ATOM 708 O PHE A 44 -1.694 -6.102 -1.592 1.00 0.00 O ATOM 709 CB PHE A 44 -2.911 -3.167 -1.588 1.00 0.00 C ATOM 710 CG PHE A 44 -3.825 -4.162 -2.250 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.458 -5.145 -1.507 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.050 -4.109 -3.616 1.00 0.00 C ATOM 713 CE1 PHE A 44 -5.298 -6.059 -2.116 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.888 -5.020 -4.230 1.00 0.00 C ATOM 715 CZ PHE A 44 -5.513 -5.997 -3.478 1.00 0.00 C ATOM 0 H PHE A 44 -0.824 -1.863 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.671 -4.018 -0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.427 -2.733 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.713 -2.354 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.294 -5.198 -0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.565 -3.347 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.786 -6.821 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.054 -4.969 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.168 -6.711 -3.955 1.00 0.00 H new ATOM 725 N LYS A 45 -0.351 -4.852 -2.898 1.00 0.00 N ATOM 726 CA LYS A 45 0.083 -5.974 -3.713 1.00 0.00 C ATOM 727 C LYS A 45 0.950 -6.927 -2.897 1.00 0.00 C ATOM 728 O LYS A 45 1.088 -8.101 -3.244 1.00 0.00 O ATOM 729 CB LYS A 45 0.860 -5.477 -4.933 1.00 0.00 C ATOM 730 CG LYS A 45 0.874 -6.465 -6.089 1.00 0.00 C ATOM 731 CD LYS A 45 1.979 -6.144 -7.082 1.00 0.00 C ATOM 732 CE LYS A 45 3.351 -6.221 -6.434 1.00 0.00 C ATOM 733 NZ LYS A 45 4.389 -6.707 -7.384 1.00 0.00 N ATOM 0 H LYS A 45 0.057 -3.955 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.802 -6.511 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.424 -4.538 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.887 -5.262 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.012 -7.475 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.090 -6.446 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.931 -6.841 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.824 -5.145 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.632 -5.236 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.308 -6.887 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.310 -6.745 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.134 -7.658 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.449 -6.058 -8.195 1.00 0.00 H new ATOM 747 N LEU A 46 1.535 -6.424 -1.808 1.00 0.00 N ATOM 748 CA LEU A 46 2.378 -7.247 -0.960 1.00 0.00 C ATOM 749 C LEU A 46 1.564 -8.358 -0.316 1.00 0.00 C ATOM 750 O LEU A 46 1.987 -9.512 -0.281 1.00 0.00 O ATOM 751 CB LEU A 46 3.068 -6.394 0.112 1.00 0.00 C ATOM 752 CG LEU A 46 2.196 -5.973 1.300 1.00 0.00 C ATOM 753 CD1 LEU A 46 2.211 -7.035 2.390 1.00 0.00 C ATOM 754 CD2 LEU A 46 2.676 -4.646 1.859 1.00 0.00 C ATOM 0 H LEU A 46 1.437 -5.457 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 46 3.149 -7.701 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.924 -6.949 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.458 -5.494 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 46 1.171 -5.861 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.585 -6.712 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.827 -7.973 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.232 -7.182 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.048 -4.358 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.709 -4.744 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.616 -3.882 1.084 1.00 0.00 H new ATOM 766 N LYS A 47 0.384 -8.013 0.189 1.00 0.00 N ATOM 767 CA LYS A 47 -0.477 -9.000 0.827 1.00 0.00 C ATOM 768 C LYS A 47 -0.644 -10.222 -0.071 1.00 0.00 C ATOM 769 O LYS A 47 -0.643 -11.360 0.400 1.00 0.00 O ATOM 770 CB LYS A 47 -1.843 -8.393 1.143 1.00 0.00 C ATOM 771 CG LYS A 47 -2.352 -8.734 2.533 1.00 0.00 C ATOM 772 CD LYS A 47 -2.933 -7.514 3.224 1.00 0.00 C ATOM 773 CE LYS A 47 -1.993 -6.975 4.290 1.00 0.00 C ATOM 774 NZ LYS A 47 -1.789 -7.950 5.397 1.00 0.00 N ATOM 0 H LYS A 47 0.005 -7.066 0.169 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.007 -9.312 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.782 -7.309 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.566 -8.741 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.113 -9.511 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.536 -9.139 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.131 -6.737 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.889 -7.773 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.031 -6.734 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.397 -6.047 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.554 -7.438 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.660 -8.499 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.010 -8.594 5.153 1.00 0.00 H new ATOM 788 N GLN A 48 -0.782 -9.971 -1.367 1.00 0.00 N ATOM 789 CA GLN A 48 -0.944 -11.041 -2.344 1.00 0.00 C ATOM 790 C GLN A 48 0.279 -11.953 -2.357 1.00 0.00 C ATOM 791 O GLN A 48 0.158 -13.170 -2.217 1.00 0.00 O ATOM 792 CB GLN A 48 -1.175 -10.456 -3.739 1.00 0.00 C ATOM 793 CG GLN A 48 -2.378 -9.531 -3.819 1.00 0.00 C ATOM 794 CD GLN A 48 -3.654 -10.191 -3.332 1.00 0.00 C ATOM 795 OE1 GLN A 48 -3.832 -10.234 -2.017 1.00 0.00 O flip ATOM 796 NE2 GLN A 48 -4.470 -10.656 -4.128 1.00 0.00 N flip ATOM 0 H GLN A 48 -0.785 -9.033 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.814 -11.633 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.284 -9.908 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.307 -11.272 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.185 -8.638 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.513 -9.204 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.292 -10.601 -5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.324 -11.096 -3.785 1.00 0.00 H new ATOM 805 N MET A 49 1.459 -11.358 -2.524 1.00 0.00 N ATOM 806 CA MET A 49 2.700 -12.126 -2.551 1.00 0.00 C ATOM 807 C MET A 49 2.892 -12.884 -1.244 1.00 0.00 C ATOM 808 O MET A 49 3.477 -13.966 -1.221 1.00 0.00 O ATOM 809 CB MET A 49 3.901 -11.207 -2.811 1.00 0.00 C ATOM 810 CG MET A 49 4.204 -10.250 -1.671 1.00 0.00 C ATOM 811 SD MET A 49 5.888 -9.606 -1.731 1.00 0.00 S ATOM 812 CE MET A 49 5.576 -7.849 -1.906 1.00 0.00 C ATOM 0 H MET A 49 1.581 -10.352 -2.642 1.00 0.00 H new ATOM 0 HA MET A 49 2.633 -12.848 -3.365 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.781 -11.821 -3.000 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.715 -10.630 -3.717 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.500 -9.418 -1.703 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.049 -10.762 -0.721 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.495 -7.344 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.811 -7.689 -2.666 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.232 -7.444 -0.954 1.00 0.00 H new ATOM 822 N TYR A 50 2.391 -12.309 -0.158 1.00 0.00 N ATOM 823 CA TYR A 50 2.501 -12.929 1.153 1.00 0.00 C ATOM 824 C TYR A 50 1.374 -13.934 1.373 1.00 0.00 C ATOM 825 O TYR A 50 1.491 -14.843 2.194 1.00 0.00 O ATOM 826 CB TYR A 50 2.486 -11.860 2.243 1.00 0.00 C ATOM 827 CG TYR A 50 3.763 -11.055 2.293 1.00 0.00 C ATOM 828 CD1 TYR A 50 4.948 -11.632 2.731 1.00 0.00 C ATOM 829 CD2 TYR A 50 3.790 -9.725 1.889 1.00 0.00 C ATOM 830 CE1 TYR A 50 6.123 -10.908 2.768 1.00 0.00 C ATOM 831 CE2 TYR A 50 4.961 -8.996 1.925 1.00 0.00 C ATOM 832 CZ TYR A 50 6.125 -9.591 2.365 1.00 0.00 C ATOM 833 OH TYR A 50 7.293 -8.865 2.399 1.00 0.00 O ATOM 0 H TYR A 50 1.904 -11.413 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 50 3.448 -13.467 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.645 -11.188 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.324 -12.336 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.950 -12.664 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.881 -9.256 1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.036 -11.372 3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.966 -7.963 1.610 1.00 0.00 H new ATOM 0 HH TYR A 50 7.109 -7.937 2.142 1.00 0.00 H new ATOM 843 N GLY A 51 0.288 -13.770 0.623 1.00 0.00 N ATOM 844 CA GLY A 51 -0.834 -14.678 0.742 1.00 0.00 C ATOM 845 C GLY A 51 -0.668 -15.903 -0.135 1.00 0.00 C ATOM 846 O GLY A 51 -1.259 -16.950 0.132 1.00 0.00 O ATOM 0 H GLY A 51 0.167 -13.025 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.941 -14.988 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.752 -14.158 0.468 1.00 0.00 H new ATOM 850 N LYS A 52 0.142 -15.775 -1.184 1.00 0.00 N ATOM 851 CA LYS A 52 0.386 -16.883 -2.100 1.00 0.00 C ATOM 852 C LYS A 52 1.820 -17.398 -1.974 1.00 0.00 C ATOM 853 O LYS A 52 2.281 -18.178 -2.808 1.00 0.00 O ATOM 854 CB LYS A 52 0.115 -16.448 -3.541 1.00 0.00 C ATOM 855 CG LYS A 52 -0.504 -17.540 -4.400 1.00 0.00 C ATOM 856 CD LYS A 52 0.529 -18.186 -5.310 1.00 0.00 C ATOM 857 CE LYS A 52 0.457 -17.626 -6.721 1.00 0.00 C ATOM 858 NZ LYS A 52 -0.573 -18.319 -7.542 1.00 0.00 N ATOM 0 H LYS A 52 0.639 -14.916 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.293 -17.693 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.549 -15.584 -3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.051 -16.126 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.951 -18.299 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.308 -17.118 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.527 -18.022 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.369 -19.264 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.230 -16.561 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.431 -17.725 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.590 -17.908 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.343 -19.331 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.506 -18.203 -7.098 1.00 0.00 H new ATOM 872 N ALA A 53 2.522 -16.962 -0.930 1.00 0.00 N ATOM 873 CA ALA A 53 3.899 -17.388 -0.707 1.00 0.00 C ATOM 874 C ALA A 53 3.971 -18.482 0.352 1.00 0.00 C ATOM 875 O ALA A 53 4.070 -19.666 0.030 1.00 0.00 O ATOM 876 CB ALA A 53 4.760 -16.199 -0.304 1.00 0.00 C ATOM 0 H ALA A 53 2.160 -16.316 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 53 4.282 -17.799 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.785 -16.531 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.743 -15.452 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.369 -15.762 0.615 1.00 0.00 H new ATOM 882 N ASP A 54 3.920 -18.079 1.621 1.00 0.00 N ATOM 883 CA ASP A 54 3.979 -19.027 2.730 1.00 0.00 C ATOM 884 C ASP A 54 4.064 -18.293 4.067 1.00 0.00 C ATOM 885 O ASP A 54 3.064 -18.147 4.769 1.00 0.00 O ATOM 886 CB ASP A 54 5.179 -19.968 2.572 1.00 0.00 C ATOM 887 CG ASP A 54 4.772 -21.345 2.082 1.00 0.00 C ATOM 888 OD1 ASP A 54 4.068 -22.056 2.828 1.00 0.00 O ATOM 889 OD2 ASP A 54 5.158 -21.710 0.952 1.00 0.00 O ATOM 0 H ASP A 54 3.838 -17.103 1.905 1.00 0.00 H new ATOM 0 HA ASP A 54 3.064 -19.619 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.890 -19.531 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.692 -20.063 3.529 1.00 0.00 H new ATOM 894 N MET A 55 5.265 -17.834 4.412 1.00 0.00 N ATOM 895 CA MET A 55 5.480 -17.115 5.663 1.00 0.00 C ATOM 896 C MET A 55 6.956 -16.768 5.846 1.00 0.00 C ATOM 897 O MET A 55 7.293 -15.703 6.362 1.00 0.00 O ATOM 898 CB MET A 55 4.990 -17.950 6.851 1.00 0.00 C ATOM 899 CG MET A 55 3.645 -17.499 7.398 1.00 0.00 C ATOM 900 SD MET A 55 3.803 -16.497 8.889 1.00 0.00 S ATOM 901 CE MET A 55 3.636 -14.849 8.209 1.00 0.00 C ATOM 0 H MET A 55 6.103 -17.948 3.842 1.00 0.00 H new ATOM 0 HA MET A 55 4.909 -16.188 5.620 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.917 -18.994 6.545 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.732 -17.902 7.648 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.120 -16.926 6.634 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.034 -18.375 7.616 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.033 -14.238 8.880 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.623 -14.400 8.098 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.151 -14.905 7.235 1.00 0.00 H new ATOM 911 N ASN A 56 7.830 -17.674 5.422 1.00 0.00 N ATOM 912 CA ASN A 56 9.269 -17.465 5.540 1.00 0.00 C ATOM 913 C ASN A 56 9.703 -16.186 4.829 1.00 0.00 C ATOM 914 O ASN A 56 10.735 -15.601 5.161 1.00 0.00 O ATOM 915 CB ASN A 56 10.027 -18.663 4.963 1.00 0.00 C ATOM 916 CG ASN A 56 11.525 -18.551 5.166 1.00 0.00 C ATOM 917 OD1 ASN A 56 12.158 -17.604 4.698 1.00 0.00 O ATOM 918 ND2 ASN A 56 12.101 -19.521 5.867 1.00 0.00 N ATOM 0 H ASN A 56 7.567 -18.561 4.993 1.00 0.00 H new ATOM 0 HA ASN A 56 9.506 -17.364 6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.667 -19.578 5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.813 -18.746 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.107 -19.500 6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.538 -20.287 6.236 1.00 0.00 H new ATOM 925 N THR A 57 8.914 -15.756 3.849 1.00 0.00 N ATOM 926 CA THR A 57 9.224 -14.548 3.093 1.00 0.00 C ATOM 927 C THR A 57 9.079 -13.304 3.965 1.00 0.00 C ATOM 928 O THR A 57 9.857 -12.358 3.848 1.00 0.00 O ATOM 929 CB THR A 57 8.309 -14.438 1.872 1.00 0.00 C ATOM 930 OG1 THR A 57 8.730 -13.385 1.023 1.00 0.00 O ATOM 931 CG2 THR A 57 6.860 -14.187 2.229 1.00 0.00 C ATOM 0 H THR A 57 8.056 -16.226 3.560 1.00 0.00 H new ATOM 0 HA THR A 57 10.260 -14.615 2.760 1.00 0.00 H new ATOM 0 HB THR A 57 8.381 -15.403 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.133 -13.332 0.247 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.267 -14.120 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.489 -15.008 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.779 -13.253 2.784 1.00 0.00 H new ATOM 939 N PHE A 58 8.074 -13.314 4.837 1.00 0.00 N ATOM 940 CA PHE A 58 7.819 -12.186 5.730 1.00 0.00 C ATOM 941 C PHE A 58 9.095 -11.746 6.447 1.00 0.00 C ATOM 942 O PHE A 58 9.555 -12.414 7.373 1.00 0.00 O ATOM 943 CB PHE A 58 6.751 -12.558 6.760 1.00 0.00 C ATOM 944 CG PHE A 58 5.354 -12.211 6.333 1.00 0.00 C ATOM 945 CD1 PHE A 58 4.898 -10.904 6.406 1.00 0.00 C ATOM 946 CD2 PHE A 58 4.496 -13.191 5.859 1.00 0.00 C ATOM 947 CE1 PHE A 58 3.613 -10.582 6.016 1.00 0.00 C ATOM 948 CE2 PHE A 58 3.210 -12.874 5.467 1.00 0.00 C ATOM 949 CZ PHE A 58 2.767 -11.568 5.546 1.00 0.00 C ATOM 0 H PHE A 58 7.422 -14.091 4.945 1.00 0.00 H new ATOM 0 HA PHE A 58 7.463 -11.354 5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.806 -13.629 6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.971 -12.050 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.555 -10.129 6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.837 -14.214 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.270 -9.560 6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.551 -13.647 5.099 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.762 -11.318 5.241 1.00 0.00 H new ATOM 959 N PRO A 59 9.685 -10.610 6.031 1.00 0.00 N ATOM 960 CA PRO A 59 10.902 -10.085 6.637 1.00 0.00 C ATOM 961 C PRO A 59 10.609 -9.139 7.798 1.00 0.00 C ATOM 962 O PRO A 59 11.428 -8.284 8.135 1.00 0.00 O ATOM 963 CB PRO A 59 11.539 -9.331 5.477 1.00 0.00 C ATOM 964 CG PRO A 59 10.384 -8.811 4.683 1.00 0.00 C ATOM 965 CD PRO A 59 9.216 -9.740 4.937 1.00 0.00 C ATOM 0 HA PRO A 59 11.531 -10.864 7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.173 -8.519 5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.169 -9.987 4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.138 -7.792 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.629 -8.781 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.321 -9.187 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.964 -10.317 4.047 1.00 0.00 H new ATOM 973 N ASN A 60 9.434 -9.293 8.402 1.00 0.00 N ATOM 974 CA ASN A 60 9.029 -8.449 9.523 1.00 0.00 C ATOM 975 C ASN A 60 8.783 -7.020 9.052 1.00 0.00 C ATOM 976 O ASN A 60 9.154 -6.058 9.725 1.00 0.00 O ATOM 977 CB ASN A 60 10.094 -8.458 10.628 1.00 0.00 C ATOM 978 CG ASN A 60 10.857 -9.769 10.706 1.00 0.00 C ATOM 979 OD1 ASN A 60 10.169 -10.876 10.447 1.00 0.00 O flip ATOM 980 ND2 ASN A 60 12.054 -9.786 10.998 1.00 0.00 N flip ATOM 0 H ASN A 60 8.745 -9.995 8.134 1.00 0.00 H new ATOM 0 HA ASN A 60 8.103 -8.853 9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.798 -7.644 10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.615 -8.265 11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.545 -8.913 11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.554 -10.674 11.048 1.00 0.00 H new ATOM 987 N PHE A 61 8.157 -6.890 7.886 1.00 0.00 N ATOM 988 CA PHE A 61 7.864 -5.579 7.316 1.00 0.00 C ATOM 989 C PHE A 61 9.147 -4.778 7.127 1.00 0.00 C ATOM 990 O PHE A 61 9.645 -4.154 8.066 1.00 0.00 O ATOM 991 CB PHE A 61 6.894 -4.809 8.214 1.00 0.00 C ATOM 992 CG PHE A 61 6.073 -3.791 7.475 1.00 0.00 C ATOM 993 CD1 PHE A 61 6.681 -2.852 6.656 1.00 0.00 C ATOM 994 CD2 PHE A 61 4.692 -3.772 7.599 1.00 0.00 C ATOM 995 CE1 PHE A 61 5.927 -1.913 5.976 1.00 0.00 C ATOM 996 CE2 PHE A 61 3.934 -2.836 6.921 1.00 0.00 C ATOM 997 CZ PHE A 61 4.553 -1.906 6.109 1.00 0.00 C ATOM 0 H PHE A 61 7.843 -7.676 7.317 1.00 0.00 H new ATOM 0 HA PHE A 61 7.398 -5.728 6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.225 -5.517 8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.459 -4.307 9.000 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.756 -2.854 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.203 -4.497 8.233 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.413 -1.186 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.859 -2.832 7.026 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.962 -1.174 5.578 1.00 0.00 H new ATOM 1007 N THR A 62 9.678 -4.802 5.911 1.00 0.00 N ATOM 1008 CA THR A 62 10.906 -4.079 5.602 1.00 0.00 C ATOM 1009 C THR A 62 10.901 -3.587 4.157 1.00 0.00 C ATOM 1010 O THR A 62 11.187 -2.419 3.893 1.00 0.00 O ATOM 1011 CB THR A 62 12.122 -4.974 5.872 1.00 0.00 C ATOM 1012 OG1 THR A 62 13.277 -4.192 6.114 1.00 0.00 O ATOM 1013 CG2 THR A 62 12.446 -5.926 4.742 1.00 0.00 C ATOM 0 H THR A 62 9.279 -5.313 5.124 1.00 0.00 H new ATOM 0 HA THR A 62 10.967 -3.203 6.248 1.00 0.00 H new ATOM 0 HB THR A 62 11.846 -5.563 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.197 -3.752 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.317 -6.524 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.595 -6.584 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.659 -5.357 3.837 1.00 0.00 H new ATOM 1021 N PHE A 63 10.572 -4.484 3.225 1.00 0.00 N ATOM 1022 CA PHE A 63 10.529 -4.140 1.803 1.00 0.00 C ATOM 1023 C PHE A 63 11.706 -3.246 1.420 1.00 0.00 C ATOM 1024 O PHE A 63 11.522 -2.153 0.884 1.00 0.00 O ATOM 1025 CB PHE A 63 9.210 -3.443 1.467 1.00 0.00 C ATOM 1026 CG PHE A 63 7.995 -4.244 1.841 1.00 0.00 C ATOM 1027 CD1 PHE A 63 7.433 -4.127 3.102 1.00 0.00 C ATOM 1028 CD2 PHE A 63 7.417 -5.115 0.932 1.00 0.00 C ATOM 1029 CE1 PHE A 63 6.317 -4.864 3.450 1.00 0.00 C ATOM 1030 CE2 PHE A 63 6.299 -5.854 1.274 1.00 0.00 C ATOM 1031 CZ PHE A 63 5.750 -5.728 2.534 1.00 0.00 C ATOM 0 H PHE A 63 10.332 -5.454 3.430 1.00 0.00 H new ATOM 0 HA PHE A 63 10.600 -5.064 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.175 -2.483 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.182 -3.233 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.872 -3.452 3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.844 -5.218 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.889 -4.764 4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.856 -6.529 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.878 -6.305 2.803 1.00 0.00 H new ATOM 1041 N GLU A 64 12.914 -3.714 1.716 1.00 0.00 N ATOM 1042 CA GLU A 64 14.120 -2.955 1.419 1.00 0.00 C ATOM 1043 C GLU A 64 14.148 -1.664 2.231 1.00 0.00 C ATOM 1044 O GLU A 64 14.494 -0.602 1.716 1.00 0.00 O ATOM 1045 CB GLU A 64 14.199 -2.637 -0.076 1.00 0.00 C ATOM 1046 CG GLU A 64 13.990 -3.850 -0.968 1.00 0.00 C ATOM 1047 CD GLU A 64 15.255 -4.667 -1.148 1.00 0.00 C ATOM 1048 OE1 GLU A 64 16.283 -4.085 -1.555 1.00 0.00 O ATOM 1049 OE2 GLU A 64 15.217 -5.886 -0.881 1.00 0.00 O ATOM 0 H GLU A 64 13.082 -4.616 2.162 1.00 0.00 H new ATOM 0 HA GLU A 64 14.983 -3.561 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.449 -1.884 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.173 -2.199 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.212 -4.482 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.632 -3.521 -1.944 1.00 0.00 H new ATOM 1056 N ASP A 65 13.773 -1.761 3.506 1.00 0.00 N ATOM 1057 CA ASP A 65 13.749 -0.599 4.389 1.00 0.00 C ATOM 1058 C ASP A 65 15.075 0.159 4.347 1.00 0.00 C ATOM 1059 O ASP A 65 16.114 -0.410 4.017 1.00 0.00 O ATOM 1060 CB ASP A 65 13.448 -1.026 5.826 1.00 0.00 C ATOM 1061 CG ASP A 65 11.976 -0.916 6.172 1.00 0.00 C ATOM 1062 OD1 ASP A 65 11.204 -0.400 5.336 1.00 0.00 O ATOM 1063 OD2 ASP A 65 11.594 -1.344 7.282 1.00 0.00 O ATOM 0 H ASP A 65 13.482 -2.633 3.949 1.00 0.00 H new ATOM 0 HA ASP A 65 12.960 0.066 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.775 -2.056 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.026 -0.408 6.513 1.00 0.00 H new ATOM 1068 N PRO A 66 15.050 1.460 4.691 1.00 0.00 N ATOM 1069 CA PRO A 66 16.244 2.322 4.700 1.00 0.00 C ATOM 1070 C PRO A 66 17.447 1.688 5.377 1.00 0.00 C ATOM 1071 O PRO A 66 18.577 2.136 5.185 1.00 0.00 O ATOM 1072 CB PRO A 66 15.771 3.538 5.479 1.00 0.00 C ATOM 1073 CG PRO A 66 14.343 3.627 5.108 1.00 0.00 C ATOM 1074 CD PRO A 66 13.850 2.209 5.103 1.00 0.00 C ATOM 0 HA PRO A 66 16.594 2.537 3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.903 3.407 6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.319 4.437 5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.787 4.235 5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.218 4.091 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.495 1.899 6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.024 2.068 4.406 1.00 0.00 H new ATOM 1082 N LYS A 67 17.215 0.634 6.150 1.00 0.00 N ATOM 1083 CA LYS A 67 18.303 -0.059 6.821 1.00 0.00 C ATOM 1084 C LYS A 67 19.372 -0.494 5.814 1.00 0.00 C ATOM 1085 O LYS A 67 20.431 -0.987 6.201 1.00 0.00 O ATOM 1086 CB LYS A 67 17.771 -1.279 7.577 1.00 0.00 C ATOM 1087 CG LYS A 67 17.102 -2.307 6.679 1.00 0.00 C ATOM 1088 CD LYS A 67 17.362 -3.723 7.163 1.00 0.00 C ATOM 1089 CE LYS A 67 16.809 -3.944 8.562 1.00 0.00 C ATOM 1090 NZ LYS A 67 17.856 -3.777 9.607 1.00 0.00 N ATOM 0 H LYS A 67 16.289 0.244 6.326 1.00 0.00 H new ATOM 0 HA LYS A 67 18.757 0.630 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.595 -1.755 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.056 -0.946 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.028 -2.123 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 67 17.472 -2.196 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.906 -4.434 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.434 -3.919 7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.997 -3.241 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.385 -4.946 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.609 -4.348 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.774 -4.091 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.918 -2.775 9.879 1.00 0.00 H new ATOM 1104 N PHE A 68 19.094 -0.304 4.517 1.00 0.00 N ATOM 1105 CA PHE A 68 20.051 -0.679 3.479 1.00 0.00 C ATOM 1106 C PHE A 68 21.231 0.287 3.456 1.00 0.00 C ATOM 1107 O PHE A 68 22.349 -0.092 3.108 1.00 0.00 O ATOM 1108 CB PHE A 68 19.376 -0.710 2.104 1.00 0.00 C ATOM 1109 CG PHE A 68 18.547 0.507 1.809 1.00 0.00 C ATOM 1110 CD1 PHE A 68 19.145 1.741 1.605 1.00 0.00 C ATOM 1111 CD2 PHE A 68 17.168 0.416 1.737 1.00 0.00 C ATOM 1112 CE1 PHE A 68 18.381 2.860 1.335 1.00 0.00 C ATOM 1113 CE2 PHE A 68 16.398 1.530 1.470 1.00 0.00 C ATOM 1114 CZ PHE A 68 17.004 2.754 1.268 1.00 0.00 C ATOM 0 H PHE A 68 18.225 0.102 4.169 1.00 0.00 H new ATOM 0 HA PHE A 68 20.421 -1.678 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 68 20.142 -0.811 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.742 -1.594 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.220 1.829 1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 68 16.688 -0.539 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 68 18.858 3.816 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 68 15.323 1.444 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 68 16.404 3.627 1.058 1.00 0.00 H new ATOM 1124 N GLU A 69 20.975 1.537 3.831 1.00 0.00 N ATOM 1125 CA GLU A 69 22.016 2.557 3.854 1.00 0.00 C ATOM 1126 C GLU A 69 21.812 3.514 5.025 1.00 0.00 C ATOM 1127 O GLU A 69 20.806 4.217 5.096 1.00 0.00 O ATOM 1128 CB GLU A 69 22.023 3.340 2.539 1.00 0.00 C ATOM 1129 CG GLU A 69 22.689 2.597 1.393 1.00 0.00 C ATOM 1130 CD GLU A 69 24.090 3.103 1.105 1.00 0.00 C ATOM 1131 OE1 GLU A 69 24.968 2.947 1.979 1.00 0.00 O ATOM 1132 OE2 GLU A 69 24.307 3.655 0.006 1.00 0.00 O ATOM 0 H GLU A 69 20.055 1.867 4.123 1.00 0.00 H new ATOM 0 HA GLU A 69 22.977 2.057 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.996 3.575 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.537 4.289 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.732 1.534 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.079 2.698 0.496 1.00 0.00 H new ATOM 1139 N VAL A 70 22.775 3.534 5.941 1.00 0.00 N ATOM 1140 CA VAL A 70 22.701 4.404 7.108 1.00 0.00 C ATOM 1141 C VAL A 70 24.090 4.685 7.673 1.00 0.00 C ATOM 1142 O VAL A 70 24.332 4.522 8.870 1.00 0.00 O ATOM 1143 CB VAL A 70 21.820 3.787 8.212 1.00 0.00 C ATOM 1144 CG1 VAL A 70 20.370 3.716 7.761 1.00 0.00 C ATOM 1145 CG2 VAL A 70 22.335 2.409 8.598 1.00 0.00 C ATOM 0 H VAL A 70 23.615 2.958 5.897 1.00 0.00 H new ATOM 0 HA VAL A 70 22.252 5.341 6.779 1.00 0.00 H new ATOM 0 HB VAL A 70 21.871 4.428 9.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.764 3.278 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 70 20.008 4.720 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.297 3.099 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 70 21.701 1.989 9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 70 22.317 1.756 7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.357 2.493 8.967 1.00 0.00 H new ATOM 1155 N VAL A 71 25.001 5.109 6.804 1.00 0.00 N ATOM 1156 CA VAL A 71 26.366 5.414 7.213 1.00 0.00 C ATOM 1157 C VAL A 71 26.390 6.515 8.269 1.00 0.00 C ATOM 1158 O VAL A 71 27.281 6.554 9.119 1.00 0.00 O ATOM 1159 CB VAL A 71 27.230 5.845 6.011 1.00 0.00 C ATOM 1160 CG1 VAL A 71 26.673 7.110 5.375 1.00 0.00 C ATOM 1161 CG2 VAL A 71 28.678 6.044 6.435 1.00 0.00 C ATOM 0 H VAL A 71 24.818 5.249 5.810 1.00 0.00 H new ATOM 0 HA VAL A 71 26.782 4.500 7.638 1.00 0.00 H new ATOM 0 HB VAL A 71 27.201 5.050 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 71 27.297 7.397 4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 71 25.656 6.926 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 71 26.666 7.914 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 71 29.271 6.348 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 71 28.730 6.817 7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.072 5.110 6.835 1.00 0.00 H new ATOM 1171 N GLU A 72 25.408 7.408 8.210 1.00 0.00 N ATOM 1172 CA GLU A 72 25.317 8.511 9.161 1.00 0.00 C ATOM 1173 C GLU A 72 25.213 7.990 10.591 1.00 0.00 C ATOM 1174 O GLU A 72 25.696 8.623 11.530 1.00 0.00 O ATOM 1175 CB GLU A 72 24.109 9.392 8.838 1.00 0.00 C ATOM 1176 CG GLU A 72 24.199 10.787 9.434 1.00 0.00 C ATOM 1177 CD GLU A 72 22.849 11.471 9.520 1.00 0.00 C ATOM 1178 OE1 GLU A 72 22.371 11.976 8.483 1.00 0.00 O ATOM 1179 OE2 GLU A 72 22.269 11.503 10.626 1.00 0.00 O ATOM 0 H GLU A 72 24.663 7.390 7.513 1.00 0.00 H new ATOM 0 HA GLU A 72 26.226 9.107 9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 72 24.008 9.474 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 72 23.206 8.906 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 72 24.635 10.725 10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 72 24.872 11.394 8.829 1.00 0.00 H new ATOM 1186 N LYS A 73 24.580 6.832 10.749 1.00 0.00 N ATOM 1187 CA LYS A 73 24.413 6.225 12.065 1.00 0.00 C ATOM 1188 C LYS A 73 25.244 4.950 12.186 1.00 0.00 C ATOM 1189 O LYS A 73 24.709 3.842 12.137 1.00 0.00 O ATOM 1190 CB LYS A 73 22.937 5.915 12.322 1.00 0.00 C ATOM 1191 CG LYS A 73 22.085 7.153 12.543 1.00 0.00 C ATOM 1192 CD LYS A 73 21.383 7.581 11.265 1.00 0.00 C ATOM 1193 CE LYS A 73 20.507 8.802 11.491 1.00 0.00 C ATOM 1194 NZ LYS A 73 19.245 8.736 10.704 1.00 0.00 N ATOM 0 H LYS A 73 24.174 6.295 9.982 1.00 0.00 H new ATOM 0 HA LYS A 73 24.763 6.936 12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.539 5.357 11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.857 5.268 13.196 1.00 0.00 H new ATOM 0 HG2 LYS A 73 21.344 6.953 13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 73 22.712 7.968 12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 73 22.125 7.802 10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 73 20.773 6.759 10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.269 8.886 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 73 21.059 9.701 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.677 9.588 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.471 8.681 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.705 7.893 10.984 1.00 0.00 H new ATOM 1208 N PRO A 74 26.571 5.089 12.348 1.00 0.00 N ATOM 1209 CA PRO A 74 27.476 3.942 12.476 1.00 0.00 C ATOM 1210 C PRO A 74 27.307 3.217 13.807 1.00 0.00 C ATOM 1211 O PRO A 74 27.563 2.018 13.909 1.00 0.00 O ATOM 1212 CB PRO A 74 28.867 4.575 12.386 1.00 0.00 C ATOM 1213 CG PRO A 74 28.676 5.975 12.854 1.00 0.00 C ATOM 1214 CD PRO A 74 27.293 6.374 12.417 1.00 0.00 C ATOM 0 HA PRO A 74 27.286 3.186 11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 74 29.585 4.043 13.010 1.00 0.00 H new ATOM 0 HB3 PRO A 74 29.249 4.547 11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 74 28.777 6.041 13.937 1.00 0.00 H new ATOM 0 HG3 PRO A 74 29.427 6.636 12.423 1.00 0.00 H new ATOM 0 HD2 PRO A 74 26.829 7.058 13.128 1.00 0.00 H new ATOM 0 HD3 PRO A 74 27.307 6.879 11.451 1.00 0.00 H new ATOM 1222 N GLN A 75 26.872 3.954 14.825 1.00 0.00 N ATOM 1223 CA GLN A 75 26.668 3.381 16.150 1.00 0.00 C ATOM 1224 C GLN A 75 26.062 4.410 17.099 1.00 0.00 C ATOM 1225 O GLN A 75 26.398 4.450 18.284 1.00 0.00 O ATOM 1226 CB GLN A 75 27.992 2.865 16.715 1.00 0.00 C ATOM 1227 CG GLN A 75 29.075 3.927 16.795 1.00 0.00 C ATOM 1228 CD GLN A 75 30.069 3.834 15.653 1.00 0.00 C ATOM 1229 OE1 GLN A 75 30.346 4.823 14.974 1.00 0.00 O ATOM 1230 NE2 GLN A 75 30.612 2.641 15.438 1.00 0.00 N ATOM 0 H GLN A 75 26.654 4.948 14.757 1.00 0.00 H new ATOM 0 HA GLN A 75 25.973 2.547 16.055 1.00 0.00 H new ATOM 0 HB2 GLN A 75 27.818 2.459 17.712 1.00 0.00 H new ATOM 0 HB3 GLN A 75 28.347 2.043 16.094 1.00 0.00 H new ATOM 0 HG2 GLN A 75 28.612 4.914 16.789 1.00 0.00 H new ATOM 0 HG3 GLN A 75 29.605 3.829 17.742 1.00 0.00 H new ATOM 0 HE21 GLN A 75 30.353 1.849 16.026 1.00 0.00 H new ATOM 0 HE22 GLN A 75 31.288 2.517 14.685 1.00 0.00 H new ATOM 1239 N SER A 76 25.168 5.239 16.573 1.00 0.00 N ATOM 1240 CA SER A 76 24.515 6.269 17.374 1.00 0.00 C ATOM 1241 C SER A 76 23.380 6.925 16.596 1.00 0.00 C ATOM 1242 O SER A 76 22.227 6.464 16.731 1.00 0.00 O ATOM 1243 CB SER A 76 25.530 7.327 17.808 1.00 0.00 C ATOM 1244 OG SER A 76 26.397 7.671 16.741 1.00 0.00 O ATOM 1245 OXT SER A 76 23.652 7.896 15.859 1.00 0.00 O ATOM 0 H SER A 76 24.878 5.219 15.595 1.00 0.00 H new ATOM 0 HA SER A 76 24.096 5.793 18.260 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.006 8.217 18.156 1.00 0.00 H new ATOM 0 HB3 SER A 76 26.114 6.952 18.649 1.00 0.00 H new ATOM 0 HG SER A 76 25.867 7.904 15.951 1.00 0.00 H new TER 1251 SER A 76