USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 Single : A 28 GLN : amide:sc=-0.00096 K(o=-0.00096,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= -7.48! C(o=-7.5!,f=-15!) USER MOD Single : A 32 THR OG1 : rot -16:sc= 0.828 USER MOD Single : A 37 ASN : amide:sc= -2.35 K(o=-2.3,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 45 THR OG1 : rot -67:sc= 0.0311 USER MOD Single : A 47 TYR OH : rot 180:sc=-0.00339 USER MOD Single : A 51 SER OG : rot -63:sc= 1.13 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=-0.00814 USER MOD Single : A 73 HIS : no HD1:sc= -0.185 K(o=-0.19,f=-1.6!) USER MOD Single : A 86 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.7!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -172:sc= -4.41! (180deg=-5.07!) USER MOD Single : A 92 ASN : amide:sc= 0.165 K(o=0.16,f=-6!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -158:sc= -3.64 (180deg=-5.28!) USER MOD Single : A 134 THR OG1 : rot 82:sc= 0.339 USER MOD Single : A 136 MET CE :methyl -106:sc= -0.977 (180deg=-3.73!) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 99:sc= -0.341 USER MOD Single : A 140 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 11.323 6.406 5.578 1.00 0.00 N ATOM 19 CA GLN A 28 11.042 4.935 5.572 1.00 0.00 C ATOM 20 C GLN A 28 10.699 4.456 6.990 1.00 0.00 C ATOM 21 O GLN A 28 11.002 5.119 7.965 1.00 0.00 O ATOM 22 CB GLN A 28 12.330 4.274 5.064 1.00 0.00 C ATOM 23 CG GLN A 28 13.509 4.631 5.978 1.00 0.00 C ATOM 24 CD GLN A 28 14.804 4.074 5.380 1.00 0.00 C ATOM 25 OE1 GLN A 28 14.960 4.028 4.177 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.746 3.648 6.178 1.00 0.00 N ATOM 0 HA GLN A 28 10.191 4.681 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.202 3.192 5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.538 4.603 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.583 5.713 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.349 4.219 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.614 3.687 7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.613 3.276 5.791 1.00 0.00 H new ATOM 35 N GLN A 29 10.071 3.308 7.101 1.00 0.00 N ATOM 36 CA GLN A 29 9.702 2.766 8.449 1.00 0.00 C ATOM 37 C GLN A 29 10.668 1.626 8.836 1.00 0.00 C ATOM 38 O GLN A 29 11.005 0.816 7.997 1.00 0.00 O ATOM 39 CB GLN A 29 8.264 2.237 8.294 1.00 0.00 C ATOM 40 CG GLN A 29 7.348 2.899 9.330 1.00 0.00 C ATOM 41 CD GLN A 29 7.172 4.377 8.976 1.00 0.00 C ATOM 42 OE1 GLN A 29 7.608 5.245 9.704 1.00 0.00 O ATOM 43 NE2 GLN A 29 6.549 4.697 7.876 1.00 0.00 N ATOM 0 H GLN A 29 9.797 2.721 6.313 1.00 0.00 H new ATOM 0 HA GLN A 29 9.767 3.520 9.233 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.898 2.443 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.250 1.155 8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.379 2.399 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.776 2.800 10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.183 3.966 7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.427 5.678 7.626 1.00 0.00 H new ATOM 52 N PRO A 30 11.098 1.592 10.090 1.00 0.00 N ATOM 53 CA PRO A 30 12.034 0.531 10.524 1.00 0.00 C ATOM 54 C PRO A 30 11.290 -0.749 10.931 1.00 0.00 C ATOM 55 O PRO A 30 11.511 -1.805 10.365 1.00 0.00 O ATOM 56 CB PRO A 30 12.736 1.149 11.730 1.00 0.00 C ATOM 57 CG PRO A 30 11.786 2.176 12.277 1.00 0.00 C ATOM 58 CD PRO A 30 10.777 2.509 11.201 1.00 0.00 C ATOM 0 HA PRO A 30 12.718 0.231 9.730 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.966 0.391 12.479 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.681 1.607 11.439 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.282 1.793 13.165 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.328 3.072 12.580 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.757 2.360 11.555 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.858 3.551 10.891 1.00 0.00 H new ATOM 66 N GLU A 31 10.422 -0.662 11.915 1.00 0.00 N ATOM 67 CA GLU A 31 9.671 -1.870 12.380 1.00 0.00 C ATOM 68 C GLU A 31 8.176 -1.718 12.100 1.00 0.00 C ATOM 69 O GLU A 31 7.546 -0.773 12.539 1.00 0.00 O ATOM 70 CB GLU A 31 9.928 -1.941 13.886 1.00 0.00 C ATOM 71 CG GLU A 31 11.190 -2.767 14.149 1.00 0.00 C ATOM 72 CD GLU A 31 12.427 -1.885 13.963 1.00 0.00 C ATOM 73 OE1 GLU A 31 12.928 -1.829 12.852 1.00 0.00 O ATOM 74 OE2 GLU A 31 12.852 -1.283 14.935 1.00 0.00 O ATOM 0 H GLU A 31 10.203 0.199 12.416 1.00 0.00 H new ATOM 0 HA GLU A 31 9.995 -2.774 11.864 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.046 -0.937 14.294 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.074 -2.392 14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.168 -3.172 15.161 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.230 -3.616 13.467 1.00 0.00 H new ATOM 81 N THR A 32 7.611 -2.651 11.374 1.00 0.00 N ATOM 82 CA THR A 32 6.154 -2.591 11.050 1.00 0.00 C ATOM 83 C THR A 32 5.672 -3.993 10.648 1.00 0.00 C ATOM 84 O THR A 32 6.417 -4.754 10.047 1.00 0.00 O ATOM 85 CB THR A 32 6.073 -1.584 9.889 1.00 0.00 C ATOM 86 OG1 THR A 32 6.424 -0.294 10.368 1.00 0.00 O ATOM 87 CG2 THR A 32 4.652 -1.535 9.307 1.00 0.00 C ATOM 0 H THR A 32 8.102 -3.458 10.989 1.00 0.00 H new ATOM 0 HA THR A 32 5.521 -2.281 11.881 1.00 0.00 H new ATOM 0 HB THR A 32 6.761 -1.899 9.104 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.389 -0.288 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.619 -0.817 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.377 -2.522 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.951 -1.232 10.084 1.00 0.00 H new ATOM 95 N GLU A 33 4.443 -4.344 10.983 1.00 0.00 N ATOM 96 CA GLU A 33 3.933 -5.705 10.626 1.00 0.00 C ATOM 97 C GLU A 33 2.889 -5.627 9.505 1.00 0.00 C ATOM 98 O GLU A 33 2.126 -4.683 9.402 1.00 0.00 O ATOM 99 CB GLU A 33 3.297 -6.226 11.914 1.00 0.00 C ATOM 100 CG GLU A 33 4.370 -6.354 13.000 1.00 0.00 C ATOM 101 CD GLU A 33 3.749 -6.932 14.274 1.00 0.00 C ATOM 102 OE1 GLU A 33 2.844 -7.743 14.155 1.00 0.00 O ATOM 103 OE2 GLU A 33 4.186 -6.552 15.346 1.00 0.00 O ATOM 0 H GLU A 33 3.782 -3.749 11.483 1.00 0.00 H new ATOM 0 HA GLU A 33 4.727 -6.355 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.510 -5.547 12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.829 -7.194 11.735 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.177 -6.999 12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.809 -5.378 13.208 1.00 0.00 H new ATOM 110 N ALA A 34 2.871 -6.629 8.666 1.00 0.00 N ATOM 111 CA ALA A 34 1.912 -6.674 7.526 1.00 0.00 C ATOM 112 C ALA A 34 0.849 -7.784 7.644 1.00 0.00 C ATOM 113 O ALA A 34 1.165 -8.985 7.747 1.00 0.00 O ATOM 114 CB ALA A 34 2.781 -6.924 6.302 1.00 0.00 C ATOM 0 H ALA A 34 3.494 -7.434 8.726 1.00 0.00 H new ATOM 0 HA ALA A 34 1.342 -5.746 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.152 -6.972 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.500 -6.112 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.314 -7.867 6.421 1.00 0.00 H new ATOM 120 N VAL A 35 -0.396 -7.377 7.516 1.00 0.00 N ATOM 121 CA VAL A 35 -1.543 -8.331 7.493 1.00 0.00 C ATOM 122 C VAL A 35 -2.314 -8.014 6.194 1.00 0.00 C ATOM 123 O VAL A 35 -2.541 -6.853 5.893 1.00 0.00 O ATOM 124 CB VAL A 35 -2.376 -8.051 8.764 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.731 -8.792 8.715 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.581 -8.505 9.995 1.00 0.00 C ATOM 0 H VAL A 35 -0.665 -6.397 7.425 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.266 -9.385 7.497 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.578 -6.981 8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.296 -8.577 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.298 -8.457 7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.556 -9.865 8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.163 -8.310 10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.373 -9.572 9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.641 -7.955 10.044 1.00 0.00 H new ATOM 136 N LEU A 36 -2.640 -9.008 5.386 1.00 0.00 N ATOM 137 CA LEU A 36 -3.300 -8.719 4.065 1.00 0.00 C ATOM 138 C LEU A 36 -4.618 -9.483 3.796 1.00 0.00 C ATOM 139 O LEU A 36 -4.668 -10.692 3.834 1.00 0.00 O ATOM 140 CB LEU A 36 -2.250 -9.109 3.014 1.00 0.00 C ATOM 141 CG LEU A 36 -2.198 -8.048 1.905 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.754 -7.878 1.425 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.074 -8.492 0.729 1.00 0.00 C ATOM 0 H LEU A 36 -2.479 -9.996 5.584 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.601 -7.672 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.271 -9.204 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.495 -10.082 2.587 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.566 -7.100 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.719 -7.125 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.128 -7.561 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.386 -8.827 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.036 -7.738 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.706 -9.441 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.103 -8.613 1.067 1.00 0.00 H new ATOM 155 N ASN A 37 -5.649 -8.725 3.472 1.00 0.00 N ATOM 156 CA ASN A 37 -7.018 -9.232 3.089 1.00 0.00 C ATOM 157 C ASN A 37 -7.791 -10.024 4.172 1.00 0.00 C ATOM 158 O ASN A 37 -8.771 -10.664 3.845 1.00 0.00 O ATOM 159 CB ASN A 37 -6.800 -10.052 1.773 1.00 0.00 C ATOM 160 CG ASN A 37 -6.485 -11.548 2.006 1.00 0.00 C ATOM 161 OD1 ASN A 37 -5.365 -11.981 1.821 1.00 0.00 O ATOM 162 ND2 ASN A 37 -7.436 -12.350 2.399 1.00 0.00 N ATOM 0 H ASN A 37 -5.589 -7.707 3.458 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.684 -8.380 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.695 -9.972 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.982 -9.603 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.239 -13.339 2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.377 -11.988 2.555 1.00 0.00 H new ATOM 169 N GLY A 38 -7.427 -9.934 5.432 1.00 0.00 N ATOM 170 CA GLY A 38 -8.200 -10.670 6.500 1.00 0.00 C ATOM 171 C GLY A 38 -7.267 -11.658 7.198 1.00 0.00 C ATOM 172 O GLY A 38 -7.217 -11.723 8.411 1.00 0.00 O ATOM 0 H GLY A 38 -6.635 -9.388 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.609 -9.964 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.044 -11.198 6.057 1.00 0.00 H new ATOM 176 N LYS A 39 -6.495 -12.385 6.427 1.00 0.00 N ATOM 177 CA LYS A 39 -5.509 -13.334 7.020 1.00 0.00 C ATOM 178 C LYS A 39 -4.200 -12.571 7.021 1.00 0.00 C ATOM 179 O LYS A 39 -3.741 -12.140 5.973 1.00 0.00 O ATOM 180 CB LYS A 39 -5.457 -14.531 6.068 1.00 0.00 C ATOM 181 CG LYS A 39 -4.606 -15.640 6.688 1.00 0.00 C ATOM 182 CD LYS A 39 -4.486 -16.803 5.701 1.00 0.00 C ATOM 183 CE LYS A 39 -3.768 -17.974 6.375 1.00 0.00 C ATOM 184 NZ LYS A 39 -4.857 -18.829 6.922 1.00 0.00 N ATOM 0 H LYS A 39 -6.508 -12.360 5.407 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.742 -13.687 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.465 -14.898 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.036 -14.228 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.616 -15.257 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.059 -15.984 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.476 -17.114 5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.935 -16.486 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.154 -18.524 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.103 -17.627 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.443 -19.655 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.420 -18.281 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.470 -19.150 6.145 1.00 0.00 H new ATOM 198 N GLY A 40 -3.656 -12.305 8.189 1.00 0.00 N ATOM 199 CA GLY A 40 -2.445 -11.451 8.246 1.00 0.00 C ATOM 200 C GLY A 40 -1.156 -12.176 7.920 1.00 0.00 C ATOM 201 O GLY A 40 -0.656 -12.971 8.696 1.00 0.00 O ATOM 0 H GLY A 40 -4.000 -12.642 9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.567 -10.621 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.364 -11.021 9.244 1.00 0.00 H new ATOM 205 N LEU A 41 -0.572 -11.820 6.803 1.00 0.00 N ATOM 206 CA LEU A 41 0.753 -12.385 6.430 1.00 0.00 C ATOM 207 C LEU A 41 1.756 -11.262 6.148 1.00 0.00 C ATOM 208 O LEU A 41 1.626 -10.532 5.182 1.00 0.00 O ATOM 209 CB LEU A 41 0.605 -13.307 5.180 1.00 0.00 C ATOM 210 CG LEU A 41 -0.579 -12.945 4.252 1.00 0.00 C ATOM 211 CD1 LEU A 41 -0.340 -11.583 3.619 1.00 0.00 C ATOM 212 CD2 LEU A 41 -0.687 -13.993 3.144 1.00 0.00 C ATOM 0 H LEU A 41 -0.962 -11.158 6.132 1.00 0.00 H new ATOM 0 HA LEU A 41 1.128 -12.978 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.529 -13.266 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.485 -14.337 5.516 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.499 -12.919 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.177 -11.333 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.252 -10.829 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.580 -11.610 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.520 -13.743 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.238 -14.010 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.856 -14.975 3.587 1.00 0.00 H new ATOM 224 N GLY A 42 2.777 -11.157 6.955 1.00 0.00 N ATOM 225 CA GLY A 42 3.827 -10.135 6.710 1.00 0.00 C ATOM 226 C GLY A 42 4.375 -9.570 8.013 1.00 0.00 C ATOM 227 O GLY A 42 3.649 -9.067 8.838 1.00 0.00 O ATOM 0 H GLY A 42 2.927 -11.741 7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.640 -10.578 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.414 -9.326 6.107 1.00 0.00 H new ATOM 231 N THR A 43 5.668 -9.620 8.165 1.00 0.00 N ATOM 232 CA THR A 43 6.333 -9.027 9.354 1.00 0.00 C ATOM 233 C THR A 43 7.648 -8.474 8.835 1.00 0.00 C ATOM 234 O THR A 43 8.494 -9.253 8.433 1.00 0.00 O ATOM 235 CB THR A 43 6.562 -10.188 10.325 1.00 0.00 C ATOM 236 OG1 THR A 43 5.325 -10.842 10.576 1.00 0.00 O ATOM 237 CG2 THR A 43 7.131 -9.651 11.640 1.00 0.00 C ATOM 0 H THR A 43 6.305 -10.057 7.499 1.00 0.00 H new ATOM 0 HA THR A 43 5.770 -8.241 9.857 1.00 0.00 H new ATOM 0 HB THR A 43 7.267 -10.895 9.888 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.469 -11.587 11.196 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.294 -10.478 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.078 -9.147 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.427 -8.944 12.080 1.00 0.00 H new ATOM 245 N GLY A 44 7.834 -7.163 8.799 1.00 0.00 N ATOM 246 CA GLY A 44 9.114 -6.637 8.235 1.00 0.00 C ATOM 247 C GLY A 44 9.228 -5.123 8.299 1.00 0.00 C ATOM 248 O GLY A 44 8.952 -4.488 9.300 1.00 0.00 O ATOM 0 H GLY A 44 7.171 -6.461 9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.950 -7.080 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.203 -6.957 7.197 1.00 0.00 H new ATOM 252 N THR A 45 9.704 -4.567 7.221 1.00 0.00 N ATOM 253 CA THR A 45 9.941 -3.097 7.154 1.00 0.00 C ATOM 254 C THR A 45 9.120 -2.436 6.045 1.00 0.00 C ATOM 255 O THR A 45 8.906 -3.007 4.990 1.00 0.00 O ATOM 256 CB THR A 45 11.435 -2.992 6.844 1.00 0.00 C ATOM 257 OG1 THR A 45 12.171 -3.719 7.819 1.00 0.00 O ATOM 258 CG2 THR A 45 11.868 -1.531 6.866 1.00 0.00 C ATOM 0 H THR A 45 9.943 -5.076 6.370 1.00 0.00 H new ATOM 0 HA THR A 45 9.648 -2.591 8.074 1.00 0.00 H new ATOM 0 HB THR A 45 11.627 -3.407 5.854 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.089 -3.275 8.689 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.933 -1.464 6.644 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.306 -0.974 6.117 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.675 -1.109 7.852 1.00 0.00 H new ATOM 266 N LEU A 46 8.680 -1.224 6.279 1.00 0.00 N ATOM 267 CA LEU A 46 7.888 -0.484 5.253 1.00 0.00 C ATOM 268 C LEU A 46 8.713 0.682 4.701 1.00 0.00 C ATOM 269 O LEU A 46 9.211 1.502 5.451 1.00 0.00 O ATOM 270 CB LEU A 46 6.661 0.043 6.000 1.00 0.00 C ATOM 271 CG LEU A 46 5.686 0.671 5.002 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.264 0.629 5.571 1.00 0.00 C ATOM 273 CD2 LEU A 46 6.087 2.123 4.735 1.00 0.00 C ATOM 0 H LEU A 46 8.839 -0.712 7.147 1.00 0.00 H new ATOM 0 HA LEU A 46 7.611 -1.116 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.173 -0.770 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.964 0.781 6.743 1.00 0.00 H new ATOM 0 HG LEU A 46 5.718 0.109 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.573 1.077 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.976 -0.406 5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.230 1.186 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.391 2.568 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.061 2.685 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.095 2.152 4.322 1.00 0.00 H new ATOM 285 N TYR A 47 8.848 0.767 3.398 1.00 0.00 N ATOM 286 CA TYR A 47 9.630 1.889 2.784 1.00 0.00 C ATOM 287 C TYR A 47 8.682 2.812 2.016 1.00 0.00 C ATOM 288 O TYR A 47 7.818 2.351 1.289 1.00 0.00 O ATOM 289 CB TYR A 47 10.626 1.239 1.816 1.00 0.00 C ATOM 290 CG TYR A 47 11.512 0.258 2.546 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.125 -1.081 2.661 1.00 0.00 C ATOM 292 CD2 TYR A 47 12.722 0.688 3.104 1.00 0.00 C ATOM 293 CE1 TYR A 47 11.947 -1.993 3.331 1.00 0.00 C ATOM 294 CE2 TYR A 47 13.546 -0.225 3.776 1.00 0.00 C ATOM 295 CZ TYR A 47 13.156 -1.566 3.889 1.00 0.00 C ATOM 296 OH TYR A 47 13.967 -2.466 4.548 1.00 0.00 O ATOM 0 H TYR A 47 8.449 0.106 2.731 1.00 0.00 H new ATOM 0 HA TYR A 47 10.144 2.483 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.086 0.727 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.237 2.008 1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.190 -1.411 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.020 1.722 3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.648 -3.027 3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.480 0.105 4.206 1.00 0.00 H new ATOM 0 HH TYR A 47 14.769 -2.006 4.874 1.00 0.00 H new ATOM 306 N ILE A 48 8.839 4.106 2.172 1.00 0.00 N ATOM 307 CA ILE A 48 7.948 5.071 1.451 1.00 0.00 C ATOM 308 C ILE A 48 8.755 5.843 0.405 1.00 0.00 C ATOM 309 O ILE A 48 9.744 6.485 0.718 1.00 0.00 O ATOM 310 CB ILE A 48 7.404 6.015 2.534 1.00 0.00 C ATOM 311 CG1 ILE A 48 6.629 5.206 3.579 1.00 0.00 C ATOM 312 CG2 ILE A 48 6.463 7.047 1.903 1.00 0.00 C ATOM 313 CD1 ILE A 48 7.591 4.717 4.659 1.00 0.00 C ATOM 0 H ILE A 48 9.546 4.536 2.768 1.00 0.00 H new ATOM 0 HA ILE A 48 7.138 4.570 0.921 1.00 0.00 H new ATOM 0 HB ILE A 48 8.241 6.528 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.847 5.821 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.135 4.358 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.081 7.713 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.008 7.629 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.630 6.534 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.040 4.141 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.356 4.087 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.064 5.573 5.140 1.00 0.00 H new ATOM 325 N ALA A 49 8.328 5.789 -0.832 1.00 0.00 N ATOM 326 CA ALA A 49 9.041 6.517 -1.922 1.00 0.00 C ATOM 327 C ALA A 49 8.241 7.756 -2.324 1.00 0.00 C ATOM 328 O ALA A 49 7.026 7.774 -2.237 1.00 0.00 O ATOM 329 CB ALA A 49 9.121 5.524 -3.081 1.00 0.00 C ATOM 0 H ALA A 49 7.507 5.265 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 49 10.031 6.858 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.634 5.988 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.672 4.638 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.114 5.236 -3.384 1.00 0.00 H new ATOM 335 N GLU A 50 8.914 8.793 -2.763 1.00 0.00 N ATOM 336 CA GLU A 50 8.208 10.063 -3.169 1.00 0.00 C ATOM 337 C GLU A 50 7.053 9.790 -4.147 1.00 0.00 C ATOM 338 O GLU A 50 6.122 10.569 -4.242 1.00 0.00 O ATOM 339 CB GLU A 50 9.278 10.920 -3.849 1.00 0.00 C ATOM 340 CG GLU A 50 10.326 11.344 -2.817 1.00 0.00 C ATOM 341 CD GLU A 50 11.366 12.244 -3.488 1.00 0.00 C ATOM 342 OE1 GLU A 50 12.207 11.718 -4.195 1.00 0.00 O ATOM 343 OE2 GLU A 50 11.304 13.443 -3.279 1.00 0.00 O ATOM 0 H GLU A 50 9.929 8.820 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 50 7.764 10.553 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.752 10.358 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.821 11.800 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.848 11.874 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.810 10.465 -2.392 1.00 0.00 H new ATOM 350 N SER A 51 7.114 8.694 -4.872 1.00 0.00 N ATOM 351 CA SER A 51 6.028 8.367 -5.845 1.00 0.00 C ATOM 352 C SER A 51 5.729 6.865 -5.846 1.00 0.00 C ATOM 353 O SER A 51 5.247 6.331 -6.831 1.00 0.00 O ATOM 354 CB SER A 51 6.576 8.804 -7.203 1.00 0.00 C ATOM 355 OG SER A 51 5.715 8.334 -8.231 1.00 0.00 O ATOM 0 H SER A 51 7.872 8.013 -4.829 1.00 0.00 H new ATOM 0 HA SER A 51 5.092 8.867 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.652 9.891 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.582 8.409 -7.346 1.00 0.00 H new ATOM 0 HG SER A 51 5.709 7.354 -8.230 1.00 0.00 H new ATOM 361 N ARG A 52 6.009 6.179 -4.754 1.00 0.00 N ATOM 362 CA ARG A 52 5.737 4.704 -4.696 1.00 0.00 C ATOM 363 C ARG A 52 5.928 4.182 -3.272 1.00 0.00 C ATOM 364 O ARG A 52 6.542 4.831 -2.447 1.00 0.00 O ATOM 365 CB ARG A 52 6.770 4.067 -5.634 1.00 0.00 C ATOM 366 CG ARG A 52 6.305 2.663 -6.027 1.00 0.00 C ATOM 367 CD ARG A 52 6.928 1.631 -5.082 1.00 0.00 C ATOM 368 NE ARG A 52 8.108 1.100 -5.817 1.00 0.00 N ATOM 369 CZ ARG A 52 9.313 1.400 -5.419 1.00 0.00 C ATOM 370 NH1 ARG A 52 9.808 2.582 -5.670 1.00 0.00 N ATOM 371 NH2 ARG A 52 10.025 0.521 -4.769 1.00 0.00 N ATOM 0 H ARG A 52 6.412 6.578 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 52 4.714 4.468 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.896 4.682 -6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.741 4.016 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.218 2.603 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.593 2.449 -7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.224 2.088 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.221 0.836 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 52 7.974 0.501 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.252 3.270 -6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.751 2.817 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.639 -0.402 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.967 0.757 -4.458 1.00 0.00 H new ATOM 385 N LEU A 53 5.412 3.008 -2.988 1.00 0.00 N ATOM 386 CA LEU A 53 5.564 2.421 -1.620 1.00 0.00 C ATOM 387 C LEU A 53 6.198 1.033 -1.731 1.00 0.00 C ATOM 388 O LEU A 53 5.707 0.186 -2.452 1.00 0.00 O ATOM 389 CB LEU A 53 4.144 2.321 -1.062 1.00 0.00 C ATOM 390 CG LEU A 53 4.190 2.415 0.463 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.872 2.991 0.979 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.406 1.019 1.060 1.00 0.00 C ATOM 0 H LEU A 53 4.891 2.431 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 53 6.203 3.023 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.525 3.121 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.688 1.379 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 53 5.013 3.066 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.905 3.058 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.720 3.985 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.049 2.341 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.438 1.089 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.586 0.365 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.348 0.609 0.695 1.00 0.00 H new ATOM 404 N SER A 54 7.280 0.799 -1.025 1.00 0.00 N ATOM 405 CA SER A 54 7.955 -0.535 -1.090 1.00 0.00 C ATOM 406 C SER A 54 7.923 -1.215 0.279 1.00 0.00 C ATOM 407 O SER A 54 8.320 -0.642 1.272 1.00 0.00 O ATOM 408 CB SER A 54 9.392 -0.233 -1.509 1.00 0.00 C ATOM 409 OG SER A 54 10.197 -1.385 -1.288 1.00 0.00 O ATOM 0 H SER A 54 7.725 1.477 -0.406 1.00 0.00 H new ATOM 0 HA SER A 54 7.462 -1.212 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.424 0.051 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.780 0.611 -0.939 1.00 0.00 H new ATOM 0 HG SER A 54 11.120 -1.196 -1.557 1.00 0.00 H new ATOM 415 N TRP A 55 7.444 -2.435 0.327 1.00 0.00 N ATOM 416 CA TRP A 55 7.373 -3.179 1.621 1.00 0.00 C ATOM 417 C TRP A 55 8.238 -4.439 1.559 1.00 0.00 C ATOM 418 O TRP A 55 8.349 -5.066 0.524 1.00 0.00 O ATOM 419 CB TRP A 55 5.901 -3.540 1.803 1.00 0.00 C ATOM 420 CG TRP A 55 5.552 -3.478 3.255 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.021 -2.402 3.869 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.714 -4.500 4.286 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.824 -2.704 5.204 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.243 -3.977 5.512 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.211 -5.813 4.280 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.263 -4.724 6.687 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.232 -6.569 5.465 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.760 -6.023 6.666 1.00 0.00 C ATOM 0 H TRP A 55 7.097 -2.950 -0.482 1.00 0.00 H new ATOM 0 HA TRP A 55 7.745 -2.583 2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.273 -2.852 1.237 1.00 0.00 H new ATOM 0 HB3 TRP A 55 5.709 -4.540 1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.788 -1.459 3.396 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.416 -2.059 5.880 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.579 -6.244 3.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.895 -4.298 7.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.615 -7.579 5.450 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.782 -6.609 7.573 1.00 0.00 H new ATOM 439 N LEU A 56 8.867 -4.795 2.655 1.00 0.00 N ATOM 440 CA LEU A 56 9.746 -6.004 2.669 1.00 0.00 C ATOM 441 C LEU A 56 9.276 -7.016 3.732 1.00 0.00 C ATOM 442 O LEU A 56 9.074 -6.672 4.890 1.00 0.00 O ATOM 443 CB LEU A 56 11.139 -5.425 2.980 1.00 0.00 C ATOM 444 CG LEU A 56 12.257 -6.497 3.089 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.163 -7.185 4.437 1.00 0.00 C ATOM 446 CD2 LEU A 56 12.165 -7.557 1.972 1.00 0.00 C ATOM 0 H LEU A 56 8.808 -4.297 3.543 1.00 0.00 H new ATOM 0 HA LEU A 56 9.734 -6.564 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.408 -4.712 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.090 -4.869 3.916 1.00 0.00 H new ATOM 0 HG LEU A 56 13.213 -5.985 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.947 -7.938 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.286 -6.448 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.189 -7.664 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.969 -8.284 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.203 -8.066 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.258 -7.071 1.001 1.00 0.00 H new ATOM 458 N ASP A 57 9.114 -8.266 3.334 1.00 0.00 N ATOM 459 CA ASP A 57 8.664 -9.339 4.273 1.00 0.00 C ATOM 460 C ASP A 57 9.841 -9.948 5.048 1.00 0.00 C ATOM 461 O ASP A 57 10.923 -10.173 4.518 1.00 0.00 O ATOM 462 CB ASP A 57 7.990 -10.393 3.396 1.00 0.00 C ATOM 463 CG ASP A 57 6.821 -11.022 4.157 1.00 0.00 C ATOM 464 OD1 ASP A 57 5.782 -10.387 4.236 1.00 0.00 O ATOM 465 OD2 ASP A 57 6.986 -12.125 4.649 1.00 0.00 O ATOM 0 H ASP A 57 9.280 -8.585 2.379 1.00 0.00 H new ATOM 0 HA ASP A 57 7.986 -8.940 5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.633 -9.938 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.710 -11.162 3.115 1.00 0.00 H new ATOM 470 N GLY A 58 9.598 -10.212 6.311 1.00 0.00 N ATOM 471 CA GLY A 58 10.620 -10.787 7.241 1.00 0.00 C ATOM 472 C GLY A 58 11.165 -12.152 6.792 1.00 0.00 C ATOM 473 O GLY A 58 12.137 -12.627 7.355 1.00 0.00 O ATOM 0 H GLY A 58 8.693 -10.044 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.450 -10.086 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.179 -10.890 8.232 1.00 0.00 H new ATOM 477 N SER A 59 10.576 -12.785 5.795 1.00 0.00 N ATOM 478 CA SER A 59 11.095 -14.116 5.331 1.00 0.00 C ATOM 479 C SER A 59 12.216 -13.945 4.287 1.00 0.00 C ATOM 480 O SER A 59 12.540 -14.877 3.573 1.00 0.00 O ATOM 481 CB SER A 59 9.886 -14.808 4.704 1.00 0.00 C ATOM 482 OG SER A 59 8.927 -15.084 5.715 1.00 0.00 O ATOM 0 H SER A 59 9.763 -12.437 5.287 1.00 0.00 H new ATOM 0 HA SER A 59 11.527 -14.689 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.448 -14.173 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.194 -15.733 4.217 1.00 0.00 H new ATOM 0 HG SER A 59 8.149 -15.527 5.316 1.00 0.00 H new ATOM 488 N GLY A 60 12.801 -12.766 4.181 1.00 0.00 N ATOM 489 CA GLY A 60 13.880 -12.529 3.184 1.00 0.00 C ATOM 490 C GLY A 60 13.279 -12.256 1.810 1.00 0.00 C ATOM 491 O GLY A 60 13.943 -12.409 0.799 1.00 0.00 O ATOM 0 H GLY A 60 12.566 -11.956 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.493 -11.683 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.537 -13.397 3.135 1.00 0.00 H new ATOM 495 N LEU A 61 12.040 -11.826 1.769 1.00 0.00 N ATOM 496 CA LEU A 61 11.394 -11.510 0.465 1.00 0.00 C ATOM 497 C LEU A 61 10.658 -10.192 0.589 1.00 0.00 C ATOM 498 O LEU A 61 9.980 -9.958 1.570 1.00 0.00 O ATOM 499 CB LEU A 61 10.438 -12.668 0.143 1.00 0.00 C ATOM 500 CG LEU A 61 9.428 -12.900 1.278 1.00 0.00 C ATOM 501 CD1 LEU A 61 8.108 -12.196 0.949 1.00 0.00 C ATOM 502 CD2 LEU A 61 9.167 -14.403 1.425 1.00 0.00 C ATOM 0 H LEU A 61 11.450 -11.681 2.588 1.00 0.00 H new ATOM 0 HA LEU A 61 12.121 -11.407 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.903 -12.453 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.013 -13.579 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 61 9.834 -12.499 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.395 -12.363 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.284 -11.126 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.704 -12.597 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.451 -14.571 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.763 -14.795 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.101 -14.913 1.659 1.00 0.00 H new ATOM 514 N GLY A 62 10.796 -9.334 -0.386 1.00 0.00 N ATOM 515 CA GLY A 62 10.106 -8.020 -0.321 1.00 0.00 C ATOM 516 C GLY A 62 9.317 -7.790 -1.587 1.00 0.00 C ATOM 517 O GLY A 62 9.459 -8.508 -2.557 1.00 0.00 O ATOM 0 H GLY A 62 11.357 -9.489 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.441 -7.991 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.837 -7.222 -0.188 1.00 0.00 H new ATOM 521 N PHE A 63 8.499 -6.778 -1.577 1.00 0.00 N ATOM 522 CA PHE A 63 7.693 -6.445 -2.798 1.00 0.00 C ATOM 523 C PHE A 63 7.366 -4.957 -2.849 1.00 0.00 C ATOM 524 O PHE A 63 7.254 -4.294 -1.833 1.00 0.00 O ATOM 525 CB PHE A 63 6.402 -7.309 -2.831 1.00 0.00 C ATOM 526 CG PHE A 63 5.796 -7.637 -1.467 1.00 0.00 C ATOM 527 CD1 PHE A 63 5.941 -6.788 -0.359 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.053 -8.818 -1.341 1.00 0.00 C ATOM 529 CE1 PHE A 63 5.340 -7.127 0.868 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.459 -9.156 -0.121 1.00 0.00 C ATOM 531 CZ PHE A 63 4.597 -8.313 0.982 1.00 0.00 C ATOM 0 H PHE A 63 8.348 -6.162 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 63 8.286 -6.676 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.652 -6.788 -3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.624 -8.244 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.513 -5.876 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.938 -9.472 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.450 -6.475 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.892 -10.071 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.133 -8.572 1.922 1.00 0.00 H new ATOM 541 N SER A 64 7.239 -4.432 -4.042 1.00 0.00 N ATOM 542 CA SER A 64 6.943 -2.982 -4.207 1.00 0.00 C ATOM 543 C SER A 64 5.448 -2.763 -4.453 1.00 0.00 C ATOM 544 O SER A 64 4.736 -3.665 -4.854 1.00 0.00 O ATOM 545 CB SER A 64 7.757 -2.549 -5.424 1.00 0.00 C ATOM 546 OG SER A 64 7.304 -3.258 -6.570 1.00 0.00 O ATOM 0 H SER A 64 7.329 -4.953 -4.914 1.00 0.00 H new ATOM 0 HA SER A 64 7.200 -2.407 -3.317 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.653 -1.476 -5.582 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.816 -2.745 -5.256 1.00 0.00 H new ATOM 0 HG SER A 64 7.824 -2.981 -7.353 1.00 0.00 H new ATOM 552 N LEU A 65 4.976 -1.564 -4.212 1.00 0.00 N ATOM 553 CA LEU A 65 3.529 -1.252 -4.424 1.00 0.00 C ATOM 554 C LEU A 65 3.381 0.023 -5.257 1.00 0.00 C ATOM 555 O LEU A 65 3.979 1.043 -4.952 1.00 0.00 O ATOM 556 CB LEU A 65 2.956 -1.026 -3.024 1.00 0.00 C ATOM 557 CG LEU A 65 3.122 -2.289 -2.179 1.00 0.00 C ATOM 558 CD1 LEU A 65 2.679 -1.996 -0.746 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.257 -3.410 -2.763 1.00 0.00 C ATOM 0 H LEU A 65 5.537 -0.782 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 65 3.015 -2.053 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.464 -0.189 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.901 -0.761 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 65 4.167 -2.599 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.795 -2.894 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.292 -1.196 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.633 -1.689 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.375 -4.311 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.211 -3.103 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.569 -3.614 -3.787 1.00 0.00 H new ATOM 654 N SER A 71 -8.079 1.956 0.500 1.00 0.00 N ATOM 655 CA SER A 71 -9.492 2.408 0.295 1.00 0.00 C ATOM 656 C SER A 71 -10.067 2.909 1.623 1.00 0.00 C ATOM 657 O SER A 71 -10.192 4.103 1.838 1.00 0.00 O ATOM 658 CB SER A 71 -10.240 1.168 -0.196 1.00 0.00 C ATOM 659 OG SER A 71 -11.637 1.356 -0.007 1.00 0.00 O ATOM 0 HA SER A 71 -9.574 3.228 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.024 0.993 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.903 0.286 0.349 1.00 0.00 H new ATOM 0 HG SER A 71 -12.119 0.563 -0.322 1.00 0.00 H new ATOM 665 N LEU A 72 -10.394 2.006 2.520 1.00 0.00 N ATOM 666 CA LEU A 72 -10.936 2.415 3.849 1.00 0.00 C ATOM 667 C LEU A 72 -9.812 2.307 4.872 1.00 0.00 C ATOM 668 O LEU A 72 -9.546 1.236 5.349 1.00 0.00 O ATOM 669 CB LEU A 72 -12.066 1.404 4.143 1.00 0.00 C ATOM 670 CG LEU A 72 -12.761 1.690 5.493 1.00 0.00 C ATOM 671 CD1 LEU A 72 -14.097 0.950 5.526 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.920 1.187 6.671 1.00 0.00 C ATOM 0 H LEU A 72 -10.307 0.999 2.384 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.314 3.437 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.803 1.441 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.656 0.394 4.153 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.895 2.768 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.597 1.144 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.726 1.298 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.923 -0.121 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.437 1.404 7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.772 0.111 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.952 1.688 6.667 1.00 0.00 H new ATOM 684 N HIS A 73 -9.126 3.394 5.177 1.00 0.00 N ATOM 685 CA HIS A 73 -7.980 3.323 6.135 1.00 0.00 C ATOM 686 C HIS A 73 -8.340 3.912 7.504 1.00 0.00 C ATOM 687 O HIS A 73 -8.825 5.019 7.628 1.00 0.00 O ATOM 688 CB HIS A 73 -6.843 4.121 5.464 1.00 0.00 C ATOM 689 CG HIS A 73 -7.220 5.576 5.293 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.944 6.032 4.202 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.965 6.684 6.063 1.00 0.00 C ATOM 692 CE1 HIS A 73 -8.099 7.361 4.345 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.522 7.810 5.463 1.00 0.00 N ATOM 0 H HIS A 73 -9.316 4.323 4.800 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.693 2.291 6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.938 4.046 6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.615 3.685 4.491 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.416 6.682 6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.626 7.988 3.641 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.495 8.771 5.804 1.00 0.00 H new ATOM 701 N ALA A 74 -8.092 3.138 8.531 1.00 0.00 N ATOM 702 CA ALA A 74 -8.388 3.567 9.922 1.00 0.00 C ATOM 703 C ALA A 74 -7.095 3.991 10.613 1.00 0.00 C ATOM 704 O ALA A 74 -6.147 3.221 10.695 1.00 0.00 O ATOM 705 CB ALA A 74 -8.970 2.320 10.600 1.00 0.00 C ATOM 0 H ALA A 74 -7.687 2.205 8.456 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.073 4.413 9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.217 2.551 11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.871 2.007 10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.236 1.515 10.573 1.00 0.00 H new ATOM 711 N VAL A 75 -7.051 5.206 11.101 1.00 0.00 N ATOM 712 CA VAL A 75 -5.823 5.704 11.787 1.00 0.00 C ATOM 713 C VAL A 75 -6.144 6.974 12.589 1.00 0.00 C ATOM 714 O VAL A 75 -6.621 7.954 12.043 1.00 0.00 O ATOM 715 CB VAL A 75 -4.834 5.990 10.647 1.00 0.00 C ATOM 716 CG1 VAL A 75 -5.401 7.051 9.696 1.00 0.00 C ATOM 717 CG2 VAL A 75 -3.508 6.484 11.228 1.00 0.00 C ATOM 0 H VAL A 75 -7.818 5.876 11.052 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.415 4.990 12.502 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.671 5.068 10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.687 7.241 8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.338 6.694 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.582 7.974 10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.808 6.686 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.678 7.398 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.091 5.720 11.885 1.00 0.00 H new ATOM 876 N GLU A 85 0.034 1.654 18.218 1.00 0.00 N ATOM 877 CA GLU A 85 -0.174 2.318 16.895 1.00 0.00 C ATOM 878 C GLU A 85 -0.698 1.292 15.889 1.00 0.00 C ATOM 879 O GLU A 85 -0.429 0.110 16.018 1.00 0.00 O ATOM 880 CB GLU A 85 1.209 2.818 16.478 1.00 0.00 C ATOM 881 CG GLU A 85 1.727 3.831 17.505 1.00 0.00 C ATOM 882 CD GLU A 85 2.482 3.100 18.620 1.00 0.00 C ATOM 883 OE1 GLU A 85 3.091 2.081 18.332 1.00 0.00 O ATOM 884 OE2 GLU A 85 2.439 3.572 19.744 1.00 0.00 O ATOM 0 HA GLU A 85 -0.898 3.131 16.942 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.901 1.979 16.400 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.157 3.280 15.492 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.385 4.551 17.019 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.894 4.394 17.926 1.00 0.00 H new ATOM 891 N HIS A 86 -1.452 1.729 14.897 1.00 0.00 N ATOM 892 CA HIS A 86 -2.001 0.759 13.892 1.00 0.00 C ATOM 893 C HIS A 86 -2.618 1.474 12.681 1.00 0.00 C ATOM 894 O HIS A 86 -3.437 2.365 12.831 1.00 0.00 O ATOM 895 CB HIS A 86 -3.085 -0.030 14.650 1.00 0.00 C ATOM 896 CG HIS A 86 -4.152 0.899 15.178 1.00 0.00 C ATOM 897 ND1 HIS A 86 -3.898 1.828 16.175 1.00 0.00 N ATOM 898 CD2 HIS A 86 -5.479 1.051 14.853 1.00 0.00 C ATOM 899 CE1 HIS A 86 -5.044 2.492 16.413 1.00 0.00 C ATOM 900 NE2 HIS A 86 -6.039 2.057 15.633 1.00 0.00 N ATOM 0 H HIS A 86 -1.706 2.705 14.744 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.213 0.120 13.494 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.535 -0.768 13.986 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.632 -0.578 15.476 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.006 0.477 14.106 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.147 3.280 17.144 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -7.002 2.391 15.614 1.00 0.00 H new ATOM 908 N LEU A 87 -2.265 1.049 11.486 1.00 0.00 N ATOM 909 CA LEU A 87 -2.863 1.650 10.260 1.00 0.00 C ATOM 910 C LEU A 87 -3.618 0.546 9.526 1.00 0.00 C ATOM 911 O LEU A 87 -3.032 -0.267 8.834 1.00 0.00 O ATOM 912 CB LEU A 87 -1.693 2.166 9.423 1.00 0.00 C ATOM 913 CG LEU A 87 -2.189 3.299 8.519 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.006 3.938 7.796 1.00 0.00 C ATOM 915 CD2 LEU A 87 -3.168 2.741 7.487 1.00 0.00 C ATOM 0 H LEU A 87 -1.585 0.308 11.314 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.556 2.464 10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.894 2.525 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.276 1.359 8.821 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.690 4.050 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.364 4.743 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.307 4.341 8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.502 3.186 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.520 3.549 6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.666 1.987 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.017 2.288 7.999 1.00 0.00 H new ATOM 927 N TYR A 88 -4.912 0.498 9.702 1.00 0.00 N ATOM 928 CA TYR A 88 -5.725 -0.583 9.058 1.00 0.00 C ATOM 929 C TYR A 88 -6.347 -0.092 7.766 1.00 0.00 C ATOM 930 O TYR A 88 -7.134 0.832 7.832 1.00 0.00 O ATOM 931 CB TYR A 88 -6.868 -0.807 10.067 1.00 0.00 C ATOM 932 CG TYR A 88 -7.315 -2.239 10.074 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.699 -3.109 10.947 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.347 -2.688 9.237 1.00 0.00 C ATOM 935 CE1 TYR A 88 -7.089 -4.435 11.015 1.00 0.00 C ATOM 936 CE2 TYR A 88 -8.750 -4.026 9.292 1.00 0.00 C ATOM 937 CZ TYR A 88 -8.120 -4.906 10.187 1.00 0.00 C ATOM 938 OH TYR A 88 -8.513 -6.228 10.252 1.00 0.00 O ATOM 0 H TYR A 88 -5.445 1.161 10.265 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.127 -1.466 8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.536 -0.522 11.065 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.710 -0.162 9.815 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.904 -2.752 11.585 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.828 -2.004 8.554 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.600 -5.107 11.705 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.542 -4.381 8.649 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.239 -6.385 9.613 1.00 0.00 H new ATOM 948 N VAL A 89 -6.078 -0.702 6.601 1.00 0.00 N ATOM 949 CA VAL A 89 -6.788 -0.200 5.364 1.00 0.00 C ATOM 950 C VAL A 89 -7.477 -1.340 4.604 1.00 0.00 C ATOM 951 O VAL A 89 -6.879 -2.320 4.219 1.00 0.00 O ATOM 952 CB VAL A 89 -5.805 0.645 4.521 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.032 1.620 5.427 1.00 0.00 C ATOM 954 CG2 VAL A 89 -4.767 -0.200 3.839 1.00 0.00 C ATOM 0 H VAL A 89 -5.433 -1.481 6.467 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.608 0.461 5.642 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.413 1.164 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.343 2.210 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.735 2.285 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.470 1.057 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.101 0.439 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.190 -0.742 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.257 -0.911 3.174 1.00 0.00 H new ATOM 964 N MET A 90 -8.771 -1.219 4.437 1.00 0.00 N ATOM 965 CA MET A 90 -9.561 -2.299 3.774 1.00 0.00 C ATOM 966 C MET A 90 -10.043 -1.881 2.386 1.00 0.00 C ATOM 967 O MET A 90 -10.565 -0.798 2.199 1.00 0.00 O ATOM 968 CB MET A 90 -10.728 -2.527 4.733 1.00 0.00 C ATOM 969 CG MET A 90 -10.194 -3.122 6.047 1.00 0.00 C ATOM 970 SD MET A 90 -11.590 -3.656 7.069 1.00 0.00 S ATOM 971 CE MET A 90 -12.381 -2.037 7.239 1.00 0.00 C ATOM 0 H MET A 90 -9.317 -0.411 4.735 1.00 0.00 H new ATOM 0 HA MET A 90 -8.975 -3.201 3.600 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.243 -1.586 4.929 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.457 -3.202 4.284 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.537 -3.966 5.837 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.600 -2.381 6.581 1.00 0.00 H new ATOM 0 HE1 MET A 90 -13.197 -2.105 7.958 1.00 0.00 H new ATOM 0 HE2 MET A 90 -11.649 -1.309 7.589 1.00 0.00 H new ATOM 0 HE3 MET A 90 -12.774 -1.721 6.273 1.00 0.00 H new ATOM 981 N VAL A 91 -9.867 -2.748 1.416 1.00 0.00 N ATOM 982 CA VAL A 91 -10.304 -2.431 0.021 1.00 0.00 C ATOM 983 C VAL A 91 -11.259 -3.514 -0.496 1.00 0.00 C ATOM 984 O VAL A 91 -11.160 -4.671 -0.123 1.00 0.00 O ATOM 985 CB VAL A 91 -9.014 -2.396 -0.814 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.095 -1.292 -0.287 1.00 0.00 C ATOM 987 CG2 VAL A 91 -8.285 -3.744 -0.726 1.00 0.00 C ATOM 0 H VAL A 91 -9.437 -3.666 1.533 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.842 -1.485 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.274 -2.199 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.180 -1.267 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.602 -0.330 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.847 -1.492 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.373 -3.704 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.030 -3.953 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.933 -4.534 -1.106 1.00 0.00 H new ATOM 997 N ASN A 92 -12.178 -3.139 -1.354 1.00 0.00 N ATOM 998 CA ASN A 92 -13.150 -4.129 -1.912 1.00 0.00 C ATOM 999 C ASN A 92 -12.819 -4.431 -3.377 1.00 0.00 C ATOM 1000 O ASN A 92 -12.784 -3.541 -4.209 1.00 0.00 O ATOM 1001 CB ASN A 92 -14.530 -3.462 -1.788 1.00 0.00 C ATOM 1002 CG ASN A 92 -14.549 -2.132 -2.555 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -13.701 -1.286 -2.348 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -15.489 -1.915 -3.435 1.00 0.00 N ATOM 0 H ASN A 92 -12.296 -2.184 -1.693 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.117 -5.080 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.300 -4.127 -2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.764 -3.288 -0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.512 -1.035 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.200 -2.626 -3.608 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.575 -5.682 -3.690 1.00 0.00 N ATOM 1012 CA ALA A 93 -12.244 -6.064 -5.098 1.00 0.00 C ATOM 1013 C ALA A 93 -13.395 -6.868 -5.708 1.00 0.00 C ATOM 1014 O ALA A 93 -14.033 -7.658 -5.032 1.00 0.00 O ATOM 1015 CB ALA A 93 -10.985 -6.924 -4.989 1.00 0.00 C ATOM 0 H ALA A 93 -12.591 -6.457 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.088 -5.196 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.677 -7.245 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.185 -6.342 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.194 -7.799 -4.374 1.00 0.00 H new ATOM 1320 N PRO A 115 -17.003 -9.543 -2.746 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.847 -10.021 -1.944 1.00 0.00 C ATOM 1322 C PRO A 115 -14.922 -8.852 -1.595 1.00 0.00 C ATOM 1323 O PRO A 115 -14.435 -8.157 -2.469 1.00 0.00 O ATOM 1324 CB PRO A 115 -15.145 -11.011 -2.870 1.00 0.00 C ATOM 1325 CG PRO A 115 -15.526 -10.592 -4.253 1.00 0.00 C ATOM 1326 CD PRO A 115 -16.889 -9.954 -4.162 1.00 0.00 C ATOM 0 HA PRO A 115 -16.142 -10.472 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.064 -10.980 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.463 -12.034 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.798 -9.889 -4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -15.546 -11.451 -4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -16.974 -9.099 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -17.676 -10.655 -4.438 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.678 -8.638 -0.324 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.783 -7.517 0.105 1.00 0.00 C ATOM 1336 C ILE A 116 -12.598 -8.073 0.901 1.00 0.00 C ATOM 1337 O ILE A 116 -12.751 -8.981 1.701 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.655 -6.611 0.987 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.850 -6.099 0.176 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -13.835 -5.413 1.478 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.810 -5.349 1.099 1.00 0.00 C ATOM 0 H ILE A 116 -15.063 -9.195 0.439 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.371 -6.969 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 116 -15.008 -7.186 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.506 -5.440 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.364 -6.934 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.461 -4.775 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -12.984 -5.768 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.476 -4.842 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.660 -4.985 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.164 -6.022 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.292 -4.505 1.554 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.425 -7.532 0.683 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.217 -8.011 1.415 1.00 0.00 C ATOM 1355 C ALA A 117 -9.789 -6.967 2.446 1.00 0.00 C ATOM 1356 O ALA A 117 -9.681 -5.788 2.129 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.150 -8.159 0.332 1.00 0.00 C ATOM 0 H ALA A 117 -11.254 -6.773 0.023 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.390 -8.942 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.221 -8.509 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.486 -8.879 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -8.980 -7.194 -0.146 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.527 -7.386 3.672 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.088 -6.398 4.713 1.00 0.00 C ATOM 1365 C GLU A 118 -7.562 -6.415 4.827 1.00 0.00 C ATOM 1366 O GLU A 118 -6.972 -7.393 5.245 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.733 -6.830 6.036 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.255 -6.916 5.877 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.645 -8.298 5.345 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -10.959 -9.254 5.666 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.626 -8.377 4.622 1.00 0.00 O ATOM 0 H GLU A 118 -9.598 -8.353 3.988 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.391 -5.384 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.337 -7.798 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.481 -6.118 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.741 -6.735 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.602 -6.142 5.193 1.00 0.00 H new ATOM 1378 N PHE A 119 -6.926 -5.332 4.466 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.440 -5.247 4.551 1.00 0.00 C ATOM 1380 C PHE A 119 -5.102 -4.446 5.813 1.00 0.00 C ATOM 1381 O PHE A 119 -5.620 -3.368 6.026 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.057 -4.568 3.207 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.673 -3.926 3.182 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.379 -2.827 3.992 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.703 -4.395 2.283 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.134 -2.200 3.918 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.446 -3.769 2.212 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.167 -2.665 3.028 1.00 0.00 C ATOM 0 H PHE A 119 -7.381 -4.491 4.111 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.891 -6.183 4.653 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.110 -5.312 2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.800 -3.804 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.123 -2.458 4.683 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.922 -5.238 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.919 -1.352 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.696 -4.139 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.206 -2.176 2.968 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.269 -4.980 6.670 1.00 0.00 N ATOM 1399 CA ARG A 120 -3.920 -4.248 7.924 1.00 0.00 C ATOM 1400 C ARG A 120 -2.406 -4.133 8.009 1.00 0.00 C ATOM 1401 O ARG A 120 -1.699 -5.123 8.064 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.531 -5.127 9.045 1.00 0.00 C ATOM 1403 CG ARG A 120 -3.937 -4.827 10.442 1.00 0.00 C ATOM 1404 CD ARG A 120 -4.285 -5.968 11.399 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.390 -5.328 12.740 1.00 0.00 N ATOM 1406 CZ ARG A 120 -4.048 -5.994 13.810 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -2.823 -6.418 13.950 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -4.932 -6.232 14.739 1.00 0.00 N ATOM 0 H ARG A 120 -3.817 -5.887 6.556 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.302 -3.229 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.609 -4.971 9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.367 -6.178 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.855 -4.714 10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.332 -3.885 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.222 -6.448 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.515 -6.740 11.389 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.729 -4.370 12.823 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.132 -6.229 13.224 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.556 -6.938 14.786 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.890 -5.898 14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.666 -6.752 15.575 1.00 0.00 H new ATOM 1422 N PHE A 121 -1.910 -2.926 8.051 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.451 -2.718 8.178 1.00 0.00 C ATOM 1424 C PHE A 121 -0.278 -1.930 9.451 1.00 0.00 C ATOM 1425 O PHE A 121 -0.735 -0.802 9.578 1.00 0.00 O ATOM 1426 CB PHE A 121 0.011 -2.014 6.896 1.00 0.00 C ATOM 1427 CG PHE A 121 0.475 -3.076 5.898 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.398 -4.098 5.483 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.783 -3.061 5.404 1.00 0.00 C ATOM 1430 CE1 PHE A 121 0.023 -5.078 4.588 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.198 -4.053 4.497 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.318 -5.055 4.094 1.00 0.00 C ATOM 0 H PHE A 121 -2.464 -2.071 8.002 1.00 0.00 H new ATOM 0 HA PHE A 121 0.159 -3.618 8.260 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.803 -1.426 6.472 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.823 -1.321 7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.408 -4.123 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.472 -2.291 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.659 -5.856 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.206 -4.038 4.110 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.644 -5.813 3.397 1.00 0.00 H new ATOM 1442 N VAL A 122 0.267 -2.584 10.443 1.00 0.00 N ATOM 1443 CA VAL A 122 0.338 -1.956 11.787 1.00 0.00 C ATOM 1444 C VAL A 122 1.793 -1.734 12.252 1.00 0.00 C ATOM 1445 O VAL A 122 2.541 -2.686 12.364 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.419 -2.956 12.704 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.587 -2.351 14.094 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.827 -3.323 12.136 1.00 0.00 C ATOM 0 H VAL A 122 0.663 -3.522 10.378 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.102 -0.959 11.802 1.00 0.00 H new ATOM 0 HB VAL A 122 0.175 -3.869 12.752 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.118 -3.054 14.735 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.394 -2.141 14.520 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.157 -1.425 14.021 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.320 -4.024 12.810 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.431 -2.420 12.048 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.715 -3.782 11.154 1.00 0.00 H new ATOM 1458 N PRO A 123 2.172 -0.485 12.504 1.00 0.00 N ATOM 1459 CA PRO A 123 3.552 -0.201 12.944 1.00 0.00 C ATOM 1460 C PRO A 123 3.661 -0.228 14.470 1.00 0.00 C ATOM 1461 O PRO A 123 3.253 0.706 15.140 1.00 0.00 O ATOM 1462 CB PRO A 123 3.800 1.209 12.420 1.00 0.00 C ATOM 1463 CG PRO A 123 2.442 1.846 12.297 1.00 0.00 C ATOM 1464 CD PRO A 123 1.395 0.760 12.405 1.00 0.00 C ATOM 0 HA PRO A 123 4.271 -0.934 12.579 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.436 1.773 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.309 1.184 11.456 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.299 2.590 13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.352 2.366 11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.761 0.904 13.280 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.739 0.752 11.534 1.00 0.00 H new ATOM 1472 N SER A 124 4.223 -1.281 15.020 1.00 0.00 N ATOM 1473 CA SER A 124 4.381 -1.366 16.513 1.00 0.00 C ATOM 1474 C SER A 124 5.225 -0.186 17.025 1.00 0.00 C ATOM 1475 O SER A 124 5.090 0.235 18.160 1.00 0.00 O ATOM 1476 CB SER A 124 5.103 -2.690 16.774 1.00 0.00 C ATOM 1477 OG SER A 124 5.159 -2.926 18.175 1.00 0.00 O ATOM 0 H SER A 124 4.579 -2.084 14.502 1.00 0.00 H new ATOM 0 HA SER A 124 3.421 -1.322 17.027 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.580 -3.507 16.277 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.110 -2.656 16.359 1.00 0.00 H new ATOM 0 HG SER A 124 5.619 -3.774 18.346 1.00 0.00 H new ATOM 1483 N ASP A 125 6.089 0.345 16.190 1.00 0.00 N ATOM 1484 CA ASP A 125 6.950 1.499 16.606 1.00 0.00 C ATOM 1485 C ASP A 125 6.159 2.806 16.574 1.00 0.00 C ATOM 1486 O ASP A 125 5.610 3.185 15.557 1.00 0.00 O ATOM 1487 CB ASP A 125 8.098 1.526 15.591 1.00 0.00 C ATOM 1488 CG ASP A 125 9.082 2.655 15.926 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.187 3.005 17.093 1.00 0.00 O ATOM 1490 OD2 ASP A 125 9.717 3.148 15.007 1.00 0.00 O ATOM 0 H ASP A 125 6.235 0.026 15.232 1.00 0.00 H new ATOM 0 HA ASP A 125 7.315 1.390 17.627 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.618 0.568 15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.700 1.668 14.586 1.00 0.00 H new ATOM 1495 N LYS A 126 6.111 3.504 17.689 1.00 0.00 N ATOM 1496 CA LYS A 126 5.372 4.810 17.739 1.00 0.00 C ATOM 1497 C LYS A 126 6.021 5.782 16.755 1.00 0.00 C ATOM 1498 O LYS A 126 5.353 6.561 16.096 1.00 0.00 O ATOM 1499 CB LYS A 126 5.518 5.319 19.176 1.00 0.00 C ATOM 1500 CG LYS A 126 4.698 6.600 19.348 1.00 0.00 C ATOM 1501 CD LYS A 126 4.714 7.025 20.817 1.00 0.00 C ATOM 1502 CE LYS A 126 6.097 7.571 21.176 1.00 0.00 C ATOM 1503 NZ LYS A 126 6.316 7.165 22.592 1.00 0.00 N ATOM 0 H LYS A 126 6.552 3.225 18.566 1.00 0.00 H new ATOM 0 HA LYS A 126 4.321 4.708 17.468 1.00 0.00 H new ATOM 0 HB2 LYS A 126 5.177 4.559 19.879 1.00 0.00 H new ATOM 0 HB3 LYS A 126 6.567 5.513 19.400 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.110 7.394 18.725 1.00 0.00 H new ATOM 0 HG3 LYS A 126 3.672 6.435 19.018 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.954 7.786 20.995 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.470 6.175 21.455 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.866 7.158 20.523 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.134 8.655 21.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.246 7.504 22.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.573 7.579 23.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.282 6.128 22.665 1.00 0.00 H new ATOM 1517 N SER A 127 7.327 5.709 16.643 1.00 0.00 N ATOM 1518 CA SER A 127 8.055 6.593 15.684 1.00 0.00 C ATOM 1519 C SER A 127 7.643 6.222 14.260 1.00 0.00 C ATOM 1520 O SER A 127 7.605 7.068 13.379 1.00 0.00 O ATOM 1521 CB SER A 127 9.545 6.322 15.911 1.00 0.00 C ATOM 1522 OG SER A 127 10.309 7.232 15.132 1.00 0.00 O ATOM 0 H SER A 127 7.919 5.073 17.177 1.00 0.00 H new ATOM 0 HA SER A 127 7.829 7.649 15.832 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.790 6.434 16.967 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.787 5.296 15.634 1.00 0.00 H new ATOM 0 HG SER A 127 11.264 7.064 15.275 1.00 0.00 H new ATOM 1528 N ALA A 128 7.322 4.959 14.031 1.00 0.00 N ATOM 1529 CA ALA A 128 6.895 4.542 12.658 1.00 0.00 C ATOM 1530 C ALA A 128 5.493 5.084 12.380 1.00 0.00 C ATOM 1531 O ALA A 128 5.160 5.418 11.256 1.00 0.00 O ATOM 1532 CB ALA A 128 6.891 3.014 12.661 1.00 0.00 C ATOM 0 H ALA A 128 7.339 4.215 14.729 1.00 0.00 H new ATOM 0 HA ALA A 128 7.560 4.927 11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.586 2.649 11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.892 2.648 12.889 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.192 2.653 13.416 1.00 0.00 H new ATOM 1538 N LEU A 129 4.671 5.173 13.402 1.00 0.00 N ATOM 1539 CA LEU A 129 3.280 5.695 13.215 1.00 0.00 C ATOM 1540 C LEU A 129 3.308 7.192 12.891 1.00 0.00 C ATOM 1541 O LEU A 129 2.640 7.638 11.974 1.00 0.00 O ATOM 1542 CB LEU A 129 2.563 5.453 14.545 1.00 0.00 C ATOM 1543 CG LEU A 129 1.095 5.853 14.406 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.356 4.814 13.557 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.453 5.932 15.793 1.00 0.00 C ATOM 0 H LEU A 129 4.906 4.906 14.358 1.00 0.00 H new ATOM 0 HA LEU A 129 2.774 5.198 12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.641 4.403 14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 129 3.036 6.032 15.338 1.00 0.00 H new ATOM 0 HG LEU A 129 1.030 6.827 13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.691 5.102 13.460 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.812 4.762 12.568 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.421 3.838 14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.594 6.217 15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.519 4.959 16.281 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.976 6.676 16.394 1.00 0.00 H new ATOM 1557 N GLU A 130 4.075 7.967 13.634 1.00 0.00 N ATOM 1558 CA GLU A 130 4.145 9.435 13.360 1.00 0.00 C ATOM 1559 C GLU A 130 4.752 9.665 11.972 1.00 0.00 C ATOM 1560 O GLU A 130 4.337 10.557 11.247 1.00 0.00 O ATOM 1561 CB GLU A 130 5.010 10.038 14.475 1.00 0.00 C ATOM 1562 CG GLU A 130 6.425 9.453 14.452 1.00 0.00 C ATOM 1563 CD GLU A 130 7.285 10.172 15.494 1.00 0.00 C ATOM 1564 OE1 GLU A 130 7.868 11.188 15.153 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.344 9.696 16.615 1.00 0.00 O ATOM 0 H GLU A 130 4.650 7.643 14.412 1.00 0.00 H new ATOM 0 HA GLU A 130 3.163 9.907 13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 130 5.059 11.120 14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 130 4.548 9.844 15.443 1.00 0.00 H new ATOM 0 HG2 GLU A 130 6.393 8.384 14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.863 9.568 13.460 1.00 0.00 H new ATOM 1572 N ALA A 131 5.705 8.841 11.589 1.00 0.00 N ATOM 1573 CA ALA A 131 6.319 8.983 10.231 1.00 0.00 C ATOM 1574 C ALA A 131 5.248 8.682 9.183 1.00 0.00 C ATOM 1575 O ALA A 131 5.159 9.339 8.160 1.00 0.00 O ATOM 1576 CB ALA A 131 7.444 7.945 10.171 1.00 0.00 C ATOM 0 H ALA A 131 6.080 8.081 12.157 1.00 0.00 H new ATOM 0 HA ALA A 131 6.708 9.984 10.043 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.935 7.997 9.199 1.00 0.00 H new ATOM 0 HB2 ALA A 131 8.171 8.150 10.957 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.027 6.948 10.314 1.00 0.00 H new ATOM 1582 N MET A 132 4.424 7.697 9.453 1.00 0.00 N ATOM 1583 CA MET A 132 3.327 7.338 8.502 1.00 0.00 C ATOM 1584 C MET A 132 2.306 8.471 8.452 1.00 0.00 C ATOM 1585 O MET A 132 1.741 8.760 7.416 1.00 0.00 O ATOM 1586 CB MET A 132 2.685 6.066 9.066 1.00 0.00 C ATOM 1587 CG MET A 132 3.585 4.865 8.784 1.00 0.00 C ATOM 1588 SD MET A 132 3.589 4.519 7.006 1.00 0.00 S ATOM 1589 CE MET A 132 1.836 4.102 6.853 1.00 0.00 C ATOM 0 H MET A 132 4.466 7.124 10.296 1.00 0.00 H new ATOM 0 HA MET A 132 3.697 7.179 7.489 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.529 6.171 10.140 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.705 5.912 8.615 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.599 5.068 9.128 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.230 3.994 9.334 1.00 0.00 H new ATOM 0 HE1 MET A 132 1.683 3.493 5.962 1.00 0.00 H new ATOM 0 HE2 MET A 132 1.517 3.544 7.733 1.00 0.00 H new ATOM 0 HE3 MET A 132 1.250 5.017 6.772 1.00 0.00 H new ATOM 1599 N PHE A 133 2.070 9.112 9.576 1.00 0.00 N ATOM 1600 CA PHE A 133 1.081 10.237 9.616 1.00 0.00 C ATOM 1601 C PHE A 133 1.573 11.368 8.749 1.00 0.00 C ATOM 1602 O PHE A 133 0.805 11.971 8.025 1.00 0.00 O ATOM 1603 CB PHE A 133 0.982 10.645 11.102 1.00 0.00 C ATOM 1604 CG PHE A 133 0.191 9.617 11.939 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.139 8.332 11.440 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.197 9.961 13.241 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -0.846 7.425 12.233 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -0.908 9.049 14.031 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.232 7.784 13.530 1.00 0.00 C ATOM 0 H PHE A 133 2.521 8.903 10.467 1.00 0.00 H new ATOM 0 HA PHE A 133 0.100 9.957 9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.985 10.752 11.515 1.00 0.00 H new ATOM 0 HB3 PHE A 133 0.500 11.620 11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.158 8.052 10.440 1.00 0.00 H new ATOM 0 HD2 PHE A 133 0.053 10.934 13.637 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.095 6.448 11.846 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.207 9.324 15.032 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.780 7.084 14.144 1.00 0.00 H new ATOM 1619 N THR A 134 2.855 11.633 8.786 1.00 0.00 N ATOM 1620 CA THR A 134 3.417 12.701 7.916 1.00 0.00 C ATOM 1621 C THR A 134 3.306 12.230 6.466 1.00 0.00 C ATOM 1622 O THR A 134 3.060 13.014 5.566 1.00 0.00 O ATOM 1623 CB THR A 134 4.880 12.862 8.334 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.947 13.113 9.731 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.503 14.035 7.574 1.00 0.00 C ATOM 0 H THR A 134 3.532 11.155 9.381 1.00 0.00 H new ATOM 0 HA THR A 134 2.894 13.653 8.010 1.00 0.00 H new ATOM 0 HB THR A 134 5.427 11.948 8.101 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.891 12.265 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.545 14.149 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.451 13.843 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.957 14.950 7.805 1.00 0.00 H new ATOM 1633 N ALA A 135 3.466 10.938 6.247 1.00 0.00 N ATOM 1634 CA ALA A 135 3.347 10.393 4.855 1.00 0.00 C ATOM 1635 C ALA A 135 1.893 10.473 4.384 1.00 0.00 C ATOM 1636 O ALA A 135 1.608 10.927 3.291 1.00 0.00 O ATOM 1637 CB ALA A 135 3.799 8.933 4.950 1.00 0.00 C ATOM 0 H ALA A 135 3.672 10.246 6.968 1.00 0.00 H new ATOM 0 HA ALA A 135 3.949 10.955 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.738 8.469 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.828 8.893 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.153 8.397 5.645 1.00 0.00 H new ATOM 1643 N MET A 136 0.975 10.035 5.215 1.00 0.00 N ATOM 1644 CA MET A 136 -0.476 10.077 4.843 1.00 0.00 C ATOM 1645 C MET A 136 -0.986 11.516 4.865 1.00 0.00 C ATOM 1646 O MET A 136 -1.644 11.959 3.940 1.00 0.00 O ATOM 1647 CB MET A 136 -1.199 9.233 5.896 1.00 0.00 C ATOM 1648 CG MET A 136 -2.639 8.981 5.445 1.00 0.00 C ATOM 1649 SD MET A 136 -3.518 8.050 6.724 1.00 0.00 S ATOM 1650 CE MET A 136 -3.571 9.363 7.968 1.00 0.00 C ATOM 0 H MET A 136 1.170 9.649 6.139 1.00 0.00 H new ATOM 0 HA MET A 136 -0.647 9.693 3.837 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.680 8.285 6.038 1.00 0.00 H new ATOM 0 HB3 MET A 136 -1.192 9.747 6.857 1.00 0.00 H new ATOM 0 HG2 MET A 136 -3.144 9.929 5.258 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.646 8.426 4.507 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.856 9.142 8.761 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.315 10.315 7.503 1.00 0.00 H new ATOM 0 HE3 MET A 136 -4.574 9.424 8.390 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.689 12.245 5.920 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.161 13.670 6.009 1.00 0.00 C ATOM 1662 C CYS A 137 -0.601 14.487 4.840 1.00 0.00 C ATOM 1663 O CYS A 137 -1.311 15.261 4.222 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.625 14.203 7.339 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.420 15.785 7.718 1.00 0.00 S ATOM 0 H CYS A 137 -0.144 11.918 6.718 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.248 13.740 5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.820 13.485 8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.456 14.331 7.283 1.00 0.00 H new ATOM 0 HG CYS A 137 -0.967 16.238 8.849 1.00 0.00 H new ATOM 1671 N GLU A 138 0.664 14.311 4.536 1.00 0.00 N ATOM 1672 CA GLU A 138 1.286 15.070 3.403 1.00 0.00 C ATOM 1673 C GLU A 138 0.716 14.583 2.075 1.00 0.00 C ATOM 1674 O GLU A 138 0.528 15.349 1.147 1.00 0.00 O ATOM 1675 CB GLU A 138 2.787 14.783 3.485 1.00 0.00 C ATOM 1676 CG GLU A 138 3.523 15.613 2.432 1.00 0.00 C ATOM 1677 CD GLU A 138 5.006 15.235 2.427 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.301 14.071 2.644 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.821 16.116 2.205 1.00 0.00 O ATOM 0 H GLU A 138 1.293 13.674 5.024 1.00 0.00 H new ATOM 0 HA GLU A 138 1.083 16.139 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.160 15.025 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.975 13.722 3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 138 3.089 15.438 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.409 16.676 2.646 1.00 0.00 H new ATOM 1686 N CYS A 139 0.442 13.315 1.996 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.125 12.728 0.738 1.00 0.00 C ATOM 1688 C CYS A 139 -1.571 13.194 0.547 1.00 0.00 C ATOM 1689 O CYS A 139 -1.983 13.521 -0.551 1.00 0.00 O ATOM 1690 CB CYS A 139 -0.073 11.212 0.934 1.00 0.00 C ATOM 1691 SG CYS A 139 1.535 10.589 0.382 1.00 0.00 S ATOM 0 H CYS A 139 0.585 12.647 2.753 1.00 0.00 H new ATOM 0 HA CYS A 139 0.433 13.038 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.230 10.964 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.874 10.734 0.370 1.00 0.00 H new ATOM 0 HG CYS A 139 2.314 10.428 1.410 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.338 13.225 1.613 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.765 13.670 1.510 1.00 0.00 C ATOM 1699 C GLN A 140 -3.832 15.166 1.200 1.00 0.00 C ATOM 1700 O GLN A 140 -4.682 15.614 0.451 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.390 13.383 2.881 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.173 12.072 2.829 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.891 11.855 4.150 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.703 12.658 4.562 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.619 10.786 4.835 1.00 0.00 N ATOM 0 H GLN A 140 -2.036 12.961 2.551 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.292 13.150 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.611 13.322 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.051 14.201 3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.894 12.099 2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.497 11.240 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.936 10.115 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.089 10.617 5.725 1.00 0.00 H new ATOM 1714 N ALA A 141 -2.940 15.937 1.777 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.939 17.415 1.531 1.00 0.00 C ATOM 1716 C ALA A 141 -2.412 17.721 0.126 1.00 0.00 C ATOM 1717 O ALA A 141 -2.883 18.632 -0.533 1.00 0.00 O ATOM 1718 CB ALA A 141 -2.008 18.005 2.593 1.00 0.00 C ATOM 0 H ALA A 141 -2.211 15.605 2.409 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.942 17.838 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.959 19.087 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.391 17.767 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -1.010 17.582 2.478 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.440 16.967 -0.330 1.00 0.00 N ATOM 1725 CA LEU A 142 -0.868 17.204 -1.694 1.00 0.00 C ATOM 1726 C LEU A 142 -1.762 16.583 -2.770 1.00 0.00 C ATOM 1727 O LEU A 142 -2.233 17.267 -3.662 1.00 0.00 O ATOM 1728 CB LEU A 142 0.502 16.526 -1.679 1.00 0.00 C ATOM 1729 CG LEU A 142 1.430 17.232 -2.683 1.00 0.00 C ATOM 1730 CD1 LEU A 142 2.828 17.362 -2.084 1.00 0.00 C ATOM 1731 CD2 LEU A 142 1.504 16.419 -3.979 1.00 0.00 C ATOM 0 H LEU A 142 -1.017 16.195 0.185 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.794 18.267 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.931 16.569 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.402 15.472 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 142 1.034 18.224 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.484 17.862 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.777 17.946 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 142 3.222 16.370 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.162 16.922 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.896 15.425 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.507 16.330 -4.410 1.00 0.00 H new