USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 35 SER OG : rot 67:sc= 0.669 USER MOD Set 1.2: A 70 MET CE :methyl 141:sc= -2.29! (180deg=-6.55!) USER MOD Set 2.1: A 4 MET CE :methyl -154:sc= -0.655 (180deg=-1.16) USER MOD Set 2.2: A 63 CYS SG : rot 130:sc= -1.54 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -90:sc= 0.642 USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000131) USER MOD Single : A 20 SER OG : rot -75:sc= 0.103 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 19:sc= -3.96! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 19:sc= -0.869 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -152:sc= -0.525 (180deg=-2.07!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 100:sc= -1.75 USER MOD Single : A 57 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.0081) USER MOD Single : A 61 SER OG : rot 172:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.443 -1.176 -2.908 1.00 0.00 N ATOM 24 CA ASP A 3 8.021 -1.076 -4.243 1.00 0.00 C ATOM 25 C ASP A 3 8.884 -2.295 -4.554 1.00 0.00 C ATOM 26 O ASP A 3 8.989 -2.715 -5.706 1.00 0.00 O ATOM 27 CB ASP A 3 8.854 0.200 -4.368 1.00 0.00 C ATOM 28 CG ASP A 3 8.091 1.435 -3.932 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.866 1.492 -4.173 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.717 2.344 -3.348 1.00 0.00 O ATOM 0 HA ASP A 3 7.204 -1.038 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.756 0.102 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.175 0.321 -5.403 1.00 0.00 H new ATOM 35 N MET A 4 9.501 -2.856 -3.520 1.00 0.00 N ATOM 36 CA MET A 4 10.356 -4.027 -3.683 1.00 0.00 C ATOM 37 C MET A 4 9.963 -5.127 -2.703 1.00 0.00 C ATOM 38 O MET A 4 10.091 -6.313 -3.005 1.00 0.00 O ATOM 39 CB MET A 4 11.823 -3.646 -3.479 1.00 0.00 C ATOM 40 CG MET A 4 12.112 -3.051 -2.110 1.00 0.00 C ATOM 41 SD MET A 4 11.856 -1.267 -2.059 1.00 0.00 S ATOM 42 CE MET A 4 13.100 -0.713 -3.222 1.00 0.00 C ATOM 0 H MET A 4 9.425 -2.519 -2.560 1.00 0.00 H new ATOM 0 HA MET A 4 10.224 -4.404 -4.697 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.443 -4.532 -3.619 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.114 -2.929 -4.247 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.471 -3.527 -1.369 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.142 -3.274 -1.831 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.395 0.308 -2.981 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.971 -1.366 -3.162 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.693 -0.744 -4.233 1.00 0.00 H new ATOM 52 N GLU A 5 9.485 -4.726 -1.529 1.00 0.00 N ATOM 53 CA GLU A 5 9.076 -5.680 -0.505 1.00 0.00 C ATOM 54 C GLU A 5 7.991 -6.614 -1.034 1.00 0.00 C ATOM 55 O GLU A 5 7.910 -7.776 -0.637 1.00 0.00 O ATOM 56 CB GLU A 5 8.569 -4.943 0.736 1.00 0.00 C ATOM 57 CG GLU A 5 9.672 -4.547 1.703 1.00 0.00 C ATOM 58 CD GLU A 5 10.608 -3.504 1.124 1.00 0.00 C ATOM 59 OE1 GLU A 5 10.164 -2.353 0.928 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.784 -3.837 0.868 1.00 0.00 O ATOM 0 H GLU A 5 9.372 -3.748 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 5 9.946 -6.278 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.034 -4.047 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.851 -5.577 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.225 -4.161 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.245 -5.433 1.977 1.00 0.00 H new ATOM 67 N ARG A 6 7.159 -6.096 -1.932 1.00 0.00 N ATOM 68 CA ARG A 6 6.078 -6.882 -2.515 1.00 0.00 C ATOM 69 C ARG A 6 6.628 -7.942 -3.465 1.00 0.00 C ATOM 70 O ARG A 6 5.984 -8.962 -3.712 1.00 0.00 O ATOM 71 CB ARG A 6 5.101 -5.971 -3.260 1.00 0.00 C ATOM 72 CG ARG A 6 3.796 -6.654 -3.634 1.00 0.00 C ATOM 73 CD ARG A 6 2.792 -5.664 -4.204 1.00 0.00 C ATOM 74 NE ARG A 6 1.416 -6.121 -4.032 1.00 0.00 N ATOM 75 CZ ARG A 6 0.376 -5.570 -4.649 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.556 -4.549 -5.475 1.00 0.00 N ATOM 77 NH2 ARG A 6 -0.847 -6.042 -4.441 1.00 0.00 N ATOM 0 H ARG A 6 7.213 -5.136 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 6 5.549 -7.384 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.882 -5.102 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.581 -5.602 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.991 -7.438 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.372 -7.138 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.917 -4.698 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.994 -5.513 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 6 1.244 -6.906 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.495 -4.184 -5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.244 -4.128 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.989 -6.828 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.645 -5.618 -4.915 1.00 0.00 H new ATOM 91 N ILE A 7 7.820 -7.693 -3.995 1.00 0.00 N ATOM 92 CA ILE A 7 8.456 -8.626 -4.917 1.00 0.00 C ATOM 93 C ILE A 7 9.341 -9.619 -4.172 1.00 0.00 C ATOM 94 O ILE A 7 9.251 -10.828 -4.385 1.00 0.00 O ATOM 95 CB ILE A 7 9.306 -7.887 -5.969 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.688 -6.525 -6.290 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.435 -8.727 -7.230 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.405 -5.782 -7.396 1.00 0.00 C ATOM 0 H ILE A 7 8.365 -6.853 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 7 7.655 -9.165 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 7 10.303 -7.725 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.645 -6.666 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.692 -5.912 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.038 -8.192 -7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.915 -9.675 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.445 -8.917 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.913 -4.825 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.441 -5.609 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.378 -6.375 -8.310 1.00 0.00 H new ATOM 110 N PHE A 8 10.194 -9.101 -3.295 1.00 0.00 N ATOM 111 CA PHE A 8 11.095 -9.942 -2.515 1.00 0.00 C ATOM 112 C PHE A 8 10.322 -11.040 -1.790 1.00 0.00 C ATOM 113 O PHE A 8 10.765 -12.187 -1.724 1.00 0.00 O ATOM 114 CB PHE A 8 11.871 -9.095 -1.504 1.00 0.00 C ATOM 115 CG PHE A 8 12.473 -9.898 -0.387 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.546 -10.742 -0.622 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.965 -9.809 0.899 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.102 -11.483 0.404 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.518 -10.546 1.930 1.00 0.00 C ATOM 120 CZ PHE A 8 13.587 -11.385 1.681 1.00 0.00 C ATOM 0 H PHE A 8 10.281 -8.102 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 8 11.800 -10.411 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.665 -8.559 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.203 -8.344 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.953 -10.822 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.128 -9.157 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.938 -12.138 0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.115 -10.466 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.019 -11.963 2.484 1.00 0.00 H new ATOM 130 N LYS A 9 9.165 -10.680 -1.245 1.00 0.00 N ATOM 131 CA LYS A 9 8.329 -11.632 -0.524 1.00 0.00 C ATOM 132 C LYS A 9 7.751 -12.677 -1.474 1.00 0.00 C ATOM 133 O LYS A 9 7.494 -13.814 -1.078 1.00 0.00 O ATOM 134 CB LYS A 9 7.195 -10.902 0.198 1.00 0.00 C ATOM 135 CG LYS A 9 7.564 -10.436 1.596 1.00 0.00 C ATOM 136 CD LYS A 9 7.469 -11.569 2.604 1.00 0.00 C ATOM 137 CE LYS A 9 7.016 -11.066 3.966 1.00 0.00 C ATOM 138 NZ LYS A 9 6.828 -12.182 4.935 1.00 0.00 N ATOM 0 H LYS A 9 8.785 -9.735 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 9 8.952 -12.140 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.894 -10.039 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.331 -11.563 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.578 -10.036 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.902 -9.624 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.769 -12.322 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.440 -12.055 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.753 -10.365 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.080 -10.517 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.519 -11.798 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.106 -12.838 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.727 -12.690 5.058 1.00 0.00 H new ATOM 152 N ARG A 10 7.551 -12.284 -2.728 1.00 0.00 N ATOM 153 CA ARG A 10 7.005 -13.187 -3.733 1.00 0.00 C ATOM 154 C ARG A 10 8.036 -14.234 -4.143 1.00 0.00 C ATOM 155 O ARG A 10 7.719 -15.416 -4.272 1.00 0.00 O ATOM 156 CB ARG A 10 6.547 -12.399 -4.962 1.00 0.00 C ATOM 157 CG ARG A 10 5.046 -12.453 -5.195 1.00 0.00 C ATOM 158 CD ARG A 10 4.275 -11.982 -3.972 1.00 0.00 C ATOM 159 NE ARG A 10 2.896 -11.627 -4.297 1.00 0.00 N ATOM 160 CZ ARG A 10 2.029 -11.157 -3.407 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.396 -10.987 -2.144 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.791 -10.856 -3.780 1.00 0.00 N ATOM 0 H ARG A 10 7.759 -11.346 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 10 6.147 -13.699 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.852 -11.358 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.057 -12.788 -5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.787 -11.831 -6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.751 -13.473 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.279 -12.768 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.778 -11.119 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 10 2.582 -11.746 -5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.346 -11.217 -1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.728 -10.626 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.505 -10.986 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.126 -10.495 -3.096 1.00 0.00 H new ATOM 176 N PHE A 11 9.273 -13.791 -4.345 1.00 0.00 N ATOM 177 CA PHE A 11 10.351 -14.688 -4.741 1.00 0.00 C ATOM 178 C PHE A 11 10.883 -15.463 -3.539 1.00 0.00 C ATOM 179 O PHE A 11 11.485 -16.527 -3.690 1.00 0.00 O ATOM 180 CB PHE A 11 11.487 -13.898 -5.396 1.00 0.00 C ATOM 181 CG PHE A 11 11.141 -13.371 -6.759 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.775 -14.235 -7.779 1.00 0.00 C ATOM 183 CD2 PHE A 11 11.182 -12.011 -7.021 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.457 -13.751 -9.034 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.865 -11.522 -8.274 1.00 0.00 C ATOM 186 CZ PHE A 11 10.501 -12.393 -9.282 1.00 0.00 C ATOM 0 H PHE A 11 9.553 -12.816 -4.241 1.00 0.00 H new ATOM 0 HA PHE A 11 9.950 -15.400 -5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.758 -13.063 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.366 -14.538 -5.475 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.738 -15.298 -7.591 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.465 -11.325 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.174 -14.435 -9.821 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.902 -10.460 -8.465 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.251 -12.013 -10.262 1.00 0.00 H new ATOM 196 N ASP A 12 10.657 -14.922 -2.347 1.00 0.00 N ATOM 197 CA ASP A 12 11.112 -15.562 -1.119 1.00 0.00 C ATOM 198 C ASP A 12 10.001 -16.406 -0.501 1.00 0.00 C ATOM 199 O ASP A 12 10.028 -16.712 0.691 1.00 0.00 O ATOM 200 CB ASP A 12 11.587 -14.509 -0.116 1.00 0.00 C ATOM 201 CG ASP A 12 12.431 -15.105 0.994 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.952 -16.224 0.806 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.569 -14.453 2.050 1.00 0.00 O ATOM 0 H ASP A 12 10.161 -14.042 -2.205 1.00 0.00 H new ATOM 0 HA ASP A 12 11.946 -16.218 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.166 -13.748 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.721 -14.009 0.318 1.00 0.00 H new ATOM 208 N THR A 13 9.023 -16.778 -1.321 1.00 0.00 N ATOM 209 CA THR A 13 7.901 -17.584 -0.855 1.00 0.00 C ATOM 210 C THR A 13 8.384 -18.882 -0.218 1.00 0.00 C ATOM 211 O THR A 13 7.794 -19.369 0.745 1.00 0.00 O ATOM 212 CB THR A 13 6.934 -17.919 -2.006 1.00 0.00 C ATOM 213 OG1 THR A 13 7.670 -18.145 -3.214 1.00 0.00 O ATOM 214 CG2 THR A 13 5.935 -16.792 -2.219 1.00 0.00 C ATOM 0 H THR A 13 8.985 -16.534 -2.311 1.00 0.00 H new ATOM 0 HA THR A 13 7.374 -16.990 -0.108 1.00 0.00 H new ATOM 0 HB THR A 13 6.387 -18.823 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.772 -17.299 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.263 -17.051 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.356 -16.641 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.469 -15.874 -2.466 1.00 0.00 H new ATOM 255 N GLY A 17 14.512 -17.427 2.726 1.00 0.00 N ATOM 256 CA GLY A 17 14.978 -16.091 3.048 1.00 0.00 C ATOM 257 C GLY A 17 15.514 -15.356 1.835 1.00 0.00 C ATOM 258 O GLY A 17 15.155 -14.205 1.588 1.00 0.00 O ATOM 0 HA2 GLY A 17 14.159 -15.519 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.760 -16.155 3.805 1.00 0.00 H new ATOM 262 N LYS A 18 16.378 -16.022 1.076 1.00 0.00 N ATOM 263 CA LYS A 18 16.966 -15.427 -0.118 1.00 0.00 C ATOM 264 C LYS A 18 16.122 -15.732 -1.351 1.00 0.00 C ATOM 265 O LYS A 18 15.224 -16.574 -1.307 1.00 0.00 O ATOM 266 CB LYS A 18 18.392 -15.944 -0.322 1.00 0.00 C ATOM 267 CG LYS A 18 19.153 -16.157 0.976 1.00 0.00 C ATOM 268 CD LYS A 18 20.553 -16.687 0.720 1.00 0.00 C ATOM 269 CE LYS A 18 21.106 -17.413 1.937 1.00 0.00 C ATOM 270 NZ LYS A 18 21.328 -16.486 3.081 1.00 0.00 N ATOM 0 H LYS A 18 16.687 -16.975 1.267 1.00 0.00 H new ATOM 0 HA LYS A 18 16.995 -14.346 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.353 -16.886 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.941 -15.236 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.213 -15.216 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.607 -16.858 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.536 -17.365 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.213 -15.861 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.414 -18.200 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.046 -17.898 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.721 -17.015 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.995 -15.740 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 20.423 -16.055 3.359 1.00 0.00 H new ATOM 284 N ILE A 19 16.417 -15.046 -2.450 1.00 0.00 N ATOM 285 CA ILE A 19 15.686 -15.247 -3.695 1.00 0.00 C ATOM 286 C ILE A 19 16.638 -15.534 -4.850 1.00 0.00 C ATOM 287 O ILE A 19 17.644 -14.847 -5.025 1.00 0.00 O ATOM 288 CB ILE A 19 14.826 -14.019 -4.047 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.704 -12.773 -4.175 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.748 -13.808 -2.994 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.930 -11.522 -4.528 1.00 0.00 C ATOM 0 H ILE A 19 17.157 -14.346 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 19 15.033 -16.106 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 19 14.340 -14.198 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.231 -12.611 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.462 -12.949 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.148 -12.936 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.107 -14.689 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.215 -13.648 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.616 -10.678 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.425 -11.664 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.190 -11.321 -3.753 1.00 0.00 H new ATOM 303 N SER A 20 16.313 -16.555 -5.638 1.00 0.00 N ATOM 304 CA SER A 20 17.140 -16.935 -6.777 1.00 0.00 C ATOM 305 C SER A 20 17.101 -15.861 -7.860 1.00 0.00 C ATOM 306 O SER A 20 16.191 -15.832 -8.690 1.00 0.00 O ATOM 307 CB SER A 20 16.670 -18.273 -7.352 1.00 0.00 C ATOM 308 OG SER A 20 15.764 -18.916 -6.472 1.00 0.00 O ATOM 0 H SER A 20 15.483 -17.133 -5.508 1.00 0.00 H new ATOM 0 HA SER A 20 18.168 -17.038 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.190 -18.109 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.530 -18.919 -7.529 1.00 0.00 H new ATOM 0 HG SER A 20 16.256 -19.290 -5.712 1.00 0.00 H new ATOM 314 N LEU A 21 18.095 -14.979 -7.846 1.00 0.00 N ATOM 315 CA LEU A 21 18.176 -13.902 -8.826 1.00 0.00 C ATOM 316 C LEU A 21 17.905 -14.425 -10.233 1.00 0.00 C ATOM 317 O LEU A 21 17.166 -13.811 -11.003 1.00 0.00 O ATOM 318 CB LEU A 21 19.553 -13.239 -8.772 1.00 0.00 C ATOM 319 CG LEU A 21 20.674 -14.070 -8.147 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.954 -13.935 -8.956 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.907 -13.651 -6.703 1.00 0.00 C ATOM 0 H LEU A 21 18.856 -14.989 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 21 17.414 -13.162 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.847 -12.975 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.464 -12.307 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 21 20.372 -15.117 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.740 -14.533 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.780 -14.285 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.261 -12.889 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.708 -14.253 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 21 21.187 -12.598 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.993 -13.801 -6.129 1.00 0.00 H new ATOM 333 N SER A 22 18.507 -15.564 -10.562 1.00 0.00 N ATOM 334 CA SER A 22 18.333 -16.169 -11.877 1.00 0.00 C ATOM 335 C SER A 22 16.859 -16.203 -12.268 1.00 0.00 C ATOM 336 O SER A 22 16.499 -15.886 -13.402 1.00 0.00 O ATOM 337 CB SER A 22 18.908 -17.587 -11.890 1.00 0.00 C ATOM 338 OG SER A 22 18.298 -18.375 -12.897 1.00 0.00 O ATOM 0 H SER A 22 19.120 -16.086 -9.935 1.00 0.00 H new ATOM 0 HA SER A 22 18.870 -15.560 -12.604 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.984 -17.545 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.756 -18.053 -10.917 1.00 0.00 H new ATOM 0 HG SER A 22 18.684 -19.276 -12.886 1.00 0.00 H new ATOM 344 N GLU A 23 16.010 -16.589 -11.321 1.00 0.00 N ATOM 345 CA GLU A 23 14.575 -16.665 -11.566 1.00 0.00 C ATOM 346 C GLU A 23 13.942 -15.277 -11.528 1.00 0.00 C ATOM 347 O GLU A 23 12.924 -15.028 -12.176 1.00 0.00 O ATOM 348 CB GLU A 23 13.905 -17.571 -10.531 1.00 0.00 C ATOM 349 CG GLU A 23 13.745 -19.009 -10.994 1.00 0.00 C ATOM 350 CD GLU A 23 12.600 -19.183 -11.974 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.637 -18.391 -11.908 1.00 0.00 O ATOM 352 OE2 GLU A 23 12.669 -20.111 -12.807 1.00 0.00 O ATOM 0 H GLU A 23 16.291 -16.854 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 23 14.425 -17.087 -12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.493 -17.557 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.923 -17.165 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.672 -19.341 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.577 -19.649 -10.128 1.00 0.00 H new ATOM 359 N LEU A 24 14.551 -14.376 -10.765 1.00 0.00 N ATOM 360 CA LEU A 24 14.048 -13.012 -10.641 1.00 0.00 C ATOM 361 C LEU A 24 14.266 -12.232 -11.934 1.00 0.00 C ATOM 362 O LEU A 24 13.325 -11.685 -12.509 1.00 0.00 O ATOM 363 CB LEU A 24 14.737 -12.297 -9.478 1.00 0.00 C ATOM 364 CG LEU A 24 14.204 -10.906 -9.134 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.400 -10.609 -7.656 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.886 -9.847 -9.988 1.00 0.00 C ATOM 0 H LEU A 24 15.394 -14.565 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 24 12.977 -13.062 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.654 -12.925 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.799 -12.210 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 24 13.136 -10.885 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.015 -9.615 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.864 -11.349 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.462 -10.650 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.494 -8.863 -9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.960 -9.869 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.693 -10.049 -11.041 1.00 0.00 H new ATOM 378 N THR A 25 15.515 -12.185 -12.387 1.00 0.00 N ATOM 379 CA THR A 25 15.858 -11.473 -13.612 1.00 0.00 C ATOM 380 C THR A 25 15.002 -11.947 -14.781 1.00 0.00 C ATOM 381 O THR A 25 14.783 -11.209 -15.742 1.00 0.00 O ATOM 382 CB THR A 25 17.344 -11.657 -13.972 1.00 0.00 C ATOM 383 OG1 THR A 25 17.639 -10.976 -15.196 1.00 0.00 O ATOM 384 CG2 THR A 25 17.690 -13.132 -14.110 1.00 0.00 C ATOM 0 H THR A 25 16.306 -12.632 -11.924 1.00 0.00 H new ATOM 0 HA THR A 25 15.665 -10.416 -13.428 1.00 0.00 H new ATOM 0 HB THR A 25 17.945 -11.234 -13.167 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.945 -10.308 -15.374 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.745 -13.236 -14.365 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.492 -13.642 -13.167 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.081 -13.576 -14.897 1.00 0.00 H new ATOM 392 N ASP A 26 14.519 -13.182 -14.692 1.00 0.00 N ATOM 393 CA ASP A 26 13.685 -13.754 -15.743 1.00 0.00 C ATOM 394 C ASP A 26 12.205 -13.606 -15.402 1.00 0.00 C ATOM 395 O ASP A 26 11.344 -13.704 -16.276 1.00 0.00 O ATOM 396 CB ASP A 26 14.028 -15.230 -15.950 1.00 0.00 C ATOM 397 CG ASP A 26 13.613 -15.734 -17.318 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.483 -14.904 -18.242 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.420 -16.959 -17.465 1.00 0.00 O ATOM 0 H ASP A 26 14.691 -13.806 -13.903 1.00 0.00 H new ATOM 0 HA ASP A 26 13.884 -13.210 -16.667 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.101 -15.372 -15.824 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.535 -15.826 -15.182 1.00 0.00 H new ATOM 404 N ALA A 27 11.917 -13.371 -14.126 1.00 0.00 N ATOM 405 CA ALA A 27 10.542 -13.209 -13.670 1.00 0.00 C ATOM 406 C ALA A 27 10.192 -11.735 -13.495 1.00 0.00 C ATOM 407 O ALA A 27 9.300 -11.386 -12.720 1.00 0.00 O ATOM 408 CB ALA A 27 10.326 -13.964 -12.367 1.00 0.00 C ATOM 0 H ALA A 27 12.618 -13.289 -13.390 1.00 0.00 H new ATOM 0 HA ALA A 27 9.881 -13.624 -14.431 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.295 -13.834 -12.038 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.526 -15.024 -12.523 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.002 -13.575 -11.605 1.00 0.00 H new ATOM 414 N LEU A 28 10.900 -10.874 -14.217 1.00 0.00 N ATOM 415 CA LEU A 28 10.664 -9.436 -14.140 1.00 0.00 C ATOM 416 C LEU A 28 9.874 -8.948 -15.351 1.00 0.00 C ATOM 417 O LEU A 28 8.853 -8.276 -15.208 1.00 0.00 O ATOM 418 CB LEU A 28 11.994 -8.685 -14.049 1.00 0.00 C ATOM 419 CG LEU A 28 12.537 -8.452 -12.638 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.057 -8.414 -12.651 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.974 -7.163 -12.057 1.00 0.00 C ATOM 0 H LEU A 28 11.642 -11.146 -14.862 1.00 0.00 H new ATOM 0 HA LEU A 28 10.079 -9.237 -13.242 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.741 -9.239 -14.618 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.876 -7.717 -14.536 1.00 0.00 H new ATOM 0 HG LEU A 28 12.220 -9.281 -12.005 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.425 -8.247 -11.639 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.441 -9.363 -13.026 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.395 -7.605 -13.298 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.371 -7.013 -11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.261 -6.323 -12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.887 -7.229 -12.012 1.00 0.00 H new ATOM 433 N ARG A 29 10.353 -9.294 -16.542 1.00 0.00 N ATOM 434 CA ARG A 29 9.691 -8.892 -17.777 1.00 0.00 C ATOM 435 C ARG A 29 8.195 -9.185 -17.712 1.00 0.00 C ATOM 436 O ARG A 29 7.380 -8.433 -18.248 1.00 0.00 O ATOM 437 CB ARG A 29 10.312 -9.617 -18.972 1.00 0.00 C ATOM 438 CG ARG A 29 11.117 -8.707 -19.886 1.00 0.00 C ATOM 439 CD ARG A 29 10.926 -9.077 -21.349 1.00 0.00 C ATOM 440 NE ARG A 29 9.800 -8.368 -21.950 1.00 0.00 N ATOM 441 CZ ARG A 29 9.561 -8.341 -23.256 1.00 0.00 C ATOM 442 NH1 ARG A 29 10.366 -8.980 -24.094 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.515 -7.674 -23.728 1.00 0.00 N ATOM 0 H ARG A 29 11.196 -9.851 -16.677 1.00 0.00 H new ATOM 0 HA ARG A 29 9.828 -7.818 -17.901 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.959 -10.414 -18.606 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.519 -10.090 -19.551 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.814 -7.672 -19.729 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.174 -8.773 -19.628 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.836 -8.847 -21.903 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.764 -10.152 -21.433 1.00 0.00 H new ATOM 0 HE ARG A 29 9.162 -7.866 -21.333 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.171 -9.494 -23.736 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.180 -8.958 -25.097 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.893 -7.181 -23.087 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.333 -7.654 -24.731 1.00 0.00 H new ATOM 457 N THR A 30 7.840 -10.283 -17.052 1.00 0.00 N ATOM 458 CA THR A 30 6.443 -10.676 -16.919 1.00 0.00 C ATOM 459 C THR A 30 5.664 -9.663 -16.088 1.00 0.00 C ATOM 460 O THR A 30 4.529 -9.316 -16.419 1.00 0.00 O ATOM 461 CB THR A 30 6.310 -12.066 -16.269 1.00 0.00 C ATOM 462 OG1 THR A 30 4.928 -12.408 -16.121 1.00 0.00 O ATOM 463 CG2 THR A 30 6.993 -12.096 -14.910 1.00 0.00 C ATOM 0 H THR A 30 8.501 -10.916 -16.601 1.00 0.00 H new ATOM 0 HA THR A 30 6.028 -10.713 -17.926 1.00 0.00 H new ATOM 0 HB THR A 30 6.796 -12.794 -16.919 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.853 -13.294 -15.708 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.886 -13.088 -14.471 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.051 -11.865 -15.030 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.532 -11.357 -14.255 1.00 0.00 H new ATOM 471 N LEU A 31 6.279 -9.191 -15.009 1.00 0.00 N ATOM 472 CA LEU A 31 5.642 -8.216 -14.131 1.00 0.00 C ATOM 473 C LEU A 31 5.478 -6.874 -14.836 1.00 0.00 C ATOM 474 O LEU A 31 4.639 -6.059 -14.455 1.00 0.00 O ATOM 475 CB LEU A 31 6.465 -8.037 -12.854 1.00 0.00 C ATOM 476 CG LEU A 31 6.997 -9.319 -12.213 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.935 -8.991 -11.062 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.847 -10.194 -11.735 1.00 0.00 C ATOM 0 H LEU A 31 7.218 -9.468 -14.721 1.00 0.00 H new ATOM 0 HA LEU A 31 4.653 -8.591 -13.869 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.312 -7.389 -13.079 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.851 -7.515 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 31 7.559 -9.872 -12.965 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.304 -9.916 -10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.776 -8.406 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.398 -8.415 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.245 -11.102 -11.282 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.257 -9.649 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.215 -10.459 -12.582 1.00 0.00 H new ATOM 490 N GLY A 32 6.285 -6.651 -15.869 1.00 0.00 N ATOM 491 CA GLY A 32 6.212 -5.407 -16.613 1.00 0.00 C ATOM 492 C GLY A 32 7.545 -4.686 -16.670 1.00 0.00 C ATOM 493 O GLY A 32 7.827 -3.965 -17.626 1.00 0.00 O ATOM 0 H GLY A 32 6.988 -7.310 -16.204 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.870 -5.613 -17.627 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.469 -4.755 -16.153 1.00 0.00 H new ATOM 497 N SER A 33 8.365 -4.881 -15.643 1.00 0.00 N ATOM 498 CA SER A 33 9.673 -4.240 -15.577 1.00 0.00 C ATOM 499 C SER A 33 10.442 -4.439 -16.880 1.00 0.00 C ATOM 500 O SER A 33 10.166 -5.366 -17.643 1.00 0.00 O ATOM 501 CB SER A 33 10.481 -4.799 -14.405 1.00 0.00 C ATOM 502 OG SER A 33 10.109 -6.137 -14.122 1.00 0.00 O ATOM 0 H SER A 33 8.147 -5.478 -14.845 1.00 0.00 H new ATOM 0 HA SER A 33 9.519 -3.172 -15.425 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.545 -4.756 -14.639 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.323 -4.180 -13.522 1.00 0.00 H new ATOM 0 HG SER A 33 9.650 -6.520 -14.899 1.00 0.00 H new ATOM 508 N THR A 34 11.409 -3.562 -17.129 1.00 0.00 N ATOM 509 CA THR A 34 12.218 -3.639 -18.339 1.00 0.00 C ATOM 510 C THR A 34 13.678 -3.923 -18.007 1.00 0.00 C ATOM 511 O THR A 34 14.533 -3.945 -18.893 1.00 0.00 O ATOM 512 CB THR A 34 12.133 -2.336 -19.156 1.00 0.00 C ATOM 513 OG1 THR A 34 11.179 -1.448 -18.563 1.00 0.00 O ATOM 514 CG2 THR A 34 11.737 -2.625 -20.596 1.00 0.00 C ATOM 0 H THR A 34 11.651 -2.790 -16.508 1.00 0.00 H new ATOM 0 HA THR A 34 11.818 -4.459 -18.935 1.00 0.00 H new ATOM 0 HB THR A 34 13.117 -1.867 -19.154 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.132 -0.621 -19.087 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.683 -1.690 -21.153 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.480 -3.278 -21.054 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.763 -3.115 -20.614 1.00 0.00 H new ATOM 522 N SER A 35 13.958 -4.140 -16.726 1.00 0.00 N ATOM 523 CA SER A 35 15.317 -4.420 -16.277 1.00 0.00 C ATOM 524 C SER A 35 15.536 -5.921 -16.109 1.00 0.00 C ATOM 525 O SER A 35 16.080 -6.371 -15.102 1.00 0.00 O ATOM 526 CB SER A 35 15.598 -3.701 -14.956 1.00 0.00 C ATOM 527 OG SER A 35 14.958 -4.355 -13.874 1.00 0.00 O ATOM 0 H SER A 35 13.262 -4.127 -15.981 1.00 0.00 H new ATOM 0 HA SER A 35 16.007 -4.053 -17.037 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.673 -3.665 -14.779 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.251 -2.670 -15.019 1.00 0.00 H new ATOM 0 HG SER A 35 15.370 -5.233 -13.732 1.00 0.00 H new ATOM 533 N ALA A 36 15.106 -6.690 -17.104 1.00 0.00 N ATOM 534 CA ALA A 36 15.256 -8.139 -17.069 1.00 0.00 C ATOM 535 C ALA A 36 16.547 -8.574 -17.756 1.00 0.00 C ATOM 536 O ALA A 36 17.376 -9.263 -17.161 1.00 0.00 O ATOM 537 CB ALA A 36 14.057 -8.810 -17.722 1.00 0.00 C ATOM 0 H ALA A 36 14.651 -6.333 -17.944 1.00 0.00 H new ATOM 0 HA ALA A 36 15.308 -8.449 -16.025 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.183 -9.892 -17.689 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.149 -8.534 -17.186 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.979 -8.486 -18.760 1.00 0.00 H new ATOM 543 N ASP A 37 16.709 -8.169 -19.010 1.00 0.00 N ATOM 544 CA ASP A 37 17.899 -8.517 -19.778 1.00 0.00 C ATOM 545 C ASP A 37 19.089 -7.662 -19.353 1.00 0.00 C ATOM 546 O ASP A 37 20.202 -7.844 -19.845 1.00 0.00 O ATOM 547 CB ASP A 37 17.637 -8.339 -21.274 1.00 0.00 C ATOM 548 CG ASP A 37 17.079 -6.969 -21.606 1.00 0.00 C ATOM 549 OD1 ASP A 37 15.840 -6.814 -21.598 1.00 0.00 O ATOM 550 OD2 ASP A 37 17.883 -6.051 -21.872 1.00 0.00 O ATOM 0 H ASP A 37 16.032 -7.599 -19.517 1.00 0.00 H new ATOM 0 HA ASP A 37 18.136 -9.562 -19.580 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.566 -8.492 -21.823 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.938 -9.104 -21.611 1.00 0.00 H new ATOM 555 N GLU A 38 18.845 -6.730 -18.437 1.00 0.00 N ATOM 556 CA GLU A 38 19.897 -5.847 -17.948 1.00 0.00 C ATOM 557 C GLU A 38 20.651 -6.489 -16.787 1.00 0.00 C ATOM 558 O GLU A 38 21.790 -6.125 -16.495 1.00 0.00 O ATOM 559 CB GLU A 38 19.304 -4.507 -17.506 1.00 0.00 C ATOM 560 CG GLU A 38 18.634 -3.737 -18.632 1.00 0.00 C ATOM 561 CD GLU A 38 19.591 -2.808 -19.353 1.00 0.00 C ATOM 562 OE1 GLU A 38 20.220 -3.251 -20.336 1.00 0.00 O ATOM 563 OE2 GLU A 38 19.711 -1.637 -18.934 1.00 0.00 O ATOM 0 H GLU A 38 17.929 -6.567 -18.019 1.00 0.00 H new ATOM 0 HA GLU A 38 20.599 -5.675 -18.764 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.575 -4.685 -16.715 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.096 -3.892 -17.078 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.210 -4.442 -19.347 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.805 -3.156 -18.227 1.00 0.00 H new ATOM 570 N VAL A 39 20.007 -7.447 -16.129 1.00 0.00 N ATOM 571 CA VAL A 39 20.616 -8.142 -15.000 1.00 0.00 C ATOM 572 C VAL A 39 20.798 -9.625 -15.301 1.00 0.00 C ATOM 573 O VAL A 39 21.611 -10.301 -14.671 1.00 0.00 O ATOM 574 CB VAL A 39 19.768 -7.988 -13.723 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.327 -8.397 -13.987 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.364 -8.806 -12.588 1.00 0.00 C ATOM 0 H VAL A 39 19.064 -7.760 -16.358 1.00 0.00 H new ATOM 0 HA VAL A 39 21.592 -7.686 -14.836 1.00 0.00 H new ATOM 0 HB VAL A 39 19.774 -6.939 -13.427 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.743 -8.282 -13.074 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.907 -7.765 -14.769 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.297 -9.438 -14.308 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.753 -8.686 -11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.389 -9.858 -12.872 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.378 -8.461 -12.384 1.00 0.00 H new ATOM 586 N GLN A 40 20.035 -10.125 -16.268 1.00 0.00 N ATOM 587 CA GLN A 40 20.113 -11.529 -16.653 1.00 0.00 C ATOM 588 C GLN A 40 21.546 -11.922 -16.994 1.00 0.00 C ATOM 589 O GLN A 40 21.918 -13.092 -16.902 1.00 0.00 O ATOM 590 CB GLN A 40 19.198 -11.804 -17.848 1.00 0.00 C ATOM 591 CG GLN A 40 18.190 -12.914 -17.599 1.00 0.00 C ATOM 592 CD GLN A 40 17.733 -13.585 -18.880 1.00 0.00 C ATOM 593 OE1 GLN A 40 17.098 -12.960 -19.730 1.00 0.00 O ATOM 594 NE2 GLN A 40 18.055 -14.865 -19.025 1.00 0.00 N ATOM 0 H GLN A 40 19.356 -9.579 -16.799 1.00 0.00 H new ATOM 0 HA GLN A 40 19.783 -12.130 -15.806 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.663 -10.889 -18.104 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.810 -12.067 -18.711 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.633 -13.661 -16.940 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.324 -12.504 -17.079 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.582 -15.344 -18.295 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.775 -15.369 -19.866 1.00 0.00 H new ATOM 603 N ARG A 41 22.347 -10.937 -17.388 1.00 0.00 N ATOM 604 CA ARG A 41 23.739 -11.181 -17.744 1.00 0.00 C ATOM 605 C ARG A 41 24.680 -10.452 -16.789 1.00 0.00 C ATOM 606 O ARG A 41 25.895 -10.448 -16.982 1.00 0.00 O ATOM 607 CB ARG A 41 24.006 -10.730 -19.182 1.00 0.00 C ATOM 608 CG ARG A 41 23.698 -9.262 -19.427 1.00 0.00 C ATOM 609 CD ARG A 41 24.808 -8.585 -20.215 1.00 0.00 C ATOM 610 NE ARG A 41 24.282 -7.737 -21.282 1.00 0.00 N ATOM 611 CZ ARG A 41 23.799 -6.516 -21.081 1.00 0.00 C ATOM 612 NH1 ARG A 41 23.776 -6.002 -19.859 1.00 0.00 N ATOM 613 NH2 ARG A 41 23.339 -5.806 -22.103 1.00 0.00 N ATOM 0 H ARG A 41 22.055 -9.963 -17.469 1.00 0.00 H new ATOM 0 HA ARG A 41 23.926 -12.252 -17.665 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.052 -10.918 -19.425 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.407 -11.336 -19.861 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.757 -9.172 -19.970 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.565 -8.753 -18.473 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.417 -7.983 -19.540 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.463 -9.343 -20.644 1.00 0.00 H new ATOM 0 HE ARG A 41 24.286 -8.103 -22.234 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.130 -6.544 -19.071 1.00 0.00 H new ATOM 0 HH12 ARG A 41 23.405 -5.064 -19.707 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.356 -6.198 -23.045 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.968 -4.869 -21.947 1.00 0.00 H new ATOM 627 N MET A 42 24.109 -9.837 -15.759 1.00 0.00 N ATOM 628 CA MET A 42 24.897 -9.106 -14.773 1.00 0.00 C ATOM 629 C MET A 42 24.340 -9.315 -13.368 1.00 0.00 C ATOM 630 O MET A 42 24.381 -8.412 -12.534 1.00 0.00 O ATOM 631 CB MET A 42 24.917 -7.614 -15.109 1.00 0.00 C ATOM 632 CG MET A 42 25.175 -7.326 -16.579 1.00 0.00 C ATOM 633 SD MET A 42 26.165 -5.841 -16.833 1.00 0.00 S ATOM 634 CE MET A 42 27.081 -6.292 -18.305 1.00 0.00 C ATOM 0 H MET A 42 23.104 -9.830 -15.585 1.00 0.00 H new ATOM 0 HA MET A 42 25.916 -9.491 -14.802 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.962 -7.173 -14.823 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.686 -7.125 -14.511 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.684 -8.179 -17.028 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.222 -7.215 -17.096 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.035 -5.765 -18.316 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.260 -7.367 -18.307 1.00 0.00 H new ATOM 0 HE3 MET A 42 26.506 -6.019 -19.190 1.00 0.00 H new ATOM 644 N MET A 43 23.820 -10.512 -13.115 1.00 0.00 N ATOM 645 CA MET A 43 23.256 -10.839 -11.810 1.00 0.00 C ATOM 646 C MET A 43 24.331 -11.379 -10.873 1.00 0.00 C ATOM 647 O MET A 43 24.160 -11.384 -9.654 1.00 0.00 O ATOM 648 CB MET A 43 22.131 -11.864 -11.960 1.00 0.00 C ATOM 649 CG MET A 43 22.619 -13.248 -12.356 1.00 0.00 C ATOM 650 SD MET A 43 21.304 -14.282 -13.030 1.00 0.00 S ATOM 651 CE MET A 43 22.239 -15.351 -14.121 1.00 0.00 C ATOM 0 H MET A 43 23.777 -11.271 -13.795 1.00 0.00 H new ATOM 0 HA MET A 43 22.849 -9.925 -11.378 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.587 -11.935 -11.018 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.424 -11.509 -12.710 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.414 -13.151 -13.095 1.00 0.00 H new ATOM 0 HG3 MET A 43 23.052 -13.739 -11.485 1.00 0.00 H new ATOM 0 HE1 MET A 43 21.563 -16.050 -14.613 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.748 -14.748 -14.873 1.00 0.00 H new ATOM 0 HE3 MET A 43 22.976 -15.907 -13.542 1.00 0.00 H new ATOM 661 N ALA A 44 25.438 -11.834 -11.450 1.00 0.00 N ATOM 662 CA ALA A 44 26.541 -12.375 -10.665 1.00 0.00 C ATOM 663 C ALA A 44 27.667 -11.356 -10.524 1.00 0.00 C ATOM 664 O ALA A 44 28.729 -11.662 -9.984 1.00 0.00 O ATOM 665 CB ALA A 44 27.063 -13.655 -11.301 1.00 0.00 C ATOM 0 H ALA A 44 25.595 -11.839 -12.458 1.00 0.00 H new ATOM 0 HA ALA A 44 26.166 -12.604 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.886 -14.048 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.262 -14.393 -11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.415 -13.442 -12.310 1.00 0.00 H new ATOM 671 N GLU A 45 27.425 -10.143 -11.013 1.00 0.00 N ATOM 672 CA GLU A 45 28.420 -9.080 -10.942 1.00 0.00 C ATOM 673 C GLU A 45 27.830 -7.825 -10.304 1.00 0.00 C ATOM 674 O GLU A 45 28.326 -6.718 -10.515 1.00 0.00 O ATOM 675 CB GLU A 45 28.952 -8.754 -12.339 1.00 0.00 C ATOM 676 CG GLU A 45 27.948 -8.026 -13.218 1.00 0.00 C ATOM 677 CD GLU A 45 28.440 -7.848 -14.641 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.287 -8.793 -15.443 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.977 -6.765 -14.952 1.00 0.00 O ATOM 0 H GLU A 45 26.550 -9.873 -11.462 1.00 0.00 H new ATOM 0 HA GLU A 45 29.244 -9.430 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.849 -8.142 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.249 -9.680 -12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.010 -8.581 -13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.735 -7.048 -12.786 1.00 0.00 H new ATOM 686 N ILE A 46 26.769 -8.007 -9.526 1.00 0.00 N ATOM 687 CA ILE A 46 26.112 -6.890 -8.858 1.00 0.00 C ATOM 688 C ILE A 46 26.230 -7.010 -7.342 1.00 0.00 C ATOM 689 O ILE A 46 26.193 -6.010 -6.625 1.00 0.00 O ATOM 690 CB ILE A 46 24.623 -6.803 -9.240 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.005 -8.202 -9.296 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.460 -6.092 -10.576 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.595 -8.262 -8.751 1.00 0.00 C ATOM 0 H ILE A 46 26.346 -8.917 -9.342 1.00 0.00 H new ATOM 0 HA ILE A 46 26.617 -5.983 -9.189 1.00 0.00 H new ATOM 0 HB ILE A 46 24.100 -6.226 -8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.001 -8.548 -10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.634 -8.891 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.402 -6.038 -10.833 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.868 -5.084 -10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 46 24.993 -6.644 -11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.221 -9.283 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.595 -7.947 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.953 -7.599 -9.330 1.00 0.00 H new ATOM 705 N ASP A 47 26.373 -8.240 -6.861 1.00 0.00 N ATOM 706 CA ASP A 47 26.499 -8.492 -5.430 1.00 0.00 C ATOM 707 C ASP A 47 26.642 -9.985 -5.151 1.00 0.00 C ATOM 708 O ASP A 47 27.592 -10.418 -4.498 1.00 0.00 O ATOM 709 CB ASP A 47 25.286 -7.935 -4.684 1.00 0.00 C ATOM 710 CG ASP A 47 25.680 -7.042 -3.523 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.721 -7.317 -2.891 1.00 0.00 O ATOM 712 OD2 ASP A 47 24.947 -6.070 -3.247 1.00 0.00 O ATOM 0 H ASP A 47 26.405 -9.078 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 47 27.397 -7.987 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.664 -7.370 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.680 -8.762 -4.313 1.00 0.00 H new ATOM 717 N THR A 48 25.691 -10.769 -5.650 1.00 0.00 N ATOM 718 CA THR A 48 25.709 -12.213 -5.453 1.00 0.00 C ATOM 719 C THR A 48 27.067 -12.800 -5.820 1.00 0.00 C ATOM 720 O THR A 48 27.571 -12.583 -6.922 1.00 0.00 O ATOM 721 CB THR A 48 24.618 -12.908 -6.290 1.00 0.00 C ATOM 722 OG1 THR A 48 23.367 -12.232 -6.122 1.00 0.00 O ATOM 723 CG2 THR A 48 24.472 -14.366 -5.884 1.00 0.00 C ATOM 0 H THR A 48 24.898 -10.428 -6.194 1.00 0.00 H new ATOM 0 HA THR A 48 25.513 -12.391 -4.396 1.00 0.00 H new ATOM 0 HB THR A 48 24.914 -12.868 -7.338 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.209 -11.641 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.696 -14.836 -6.488 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.418 -14.884 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.197 -14.425 -4.831 1.00 0.00 H new ATOM 731 N ASP A 49 27.654 -13.546 -4.890 1.00 0.00 N ATOM 732 CA ASP A 49 28.954 -14.167 -5.117 1.00 0.00 C ATOM 733 C ASP A 49 28.857 -15.686 -5.005 1.00 0.00 C ATOM 734 O ASP A 49 29.745 -16.409 -5.455 1.00 0.00 O ATOM 735 CB ASP A 49 29.979 -13.634 -4.115 1.00 0.00 C ATOM 736 CG ASP A 49 30.260 -12.156 -4.305 1.00 0.00 C ATOM 737 OD1 ASP A 49 30.948 -11.805 -5.286 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.793 -11.351 -3.473 1.00 0.00 O ATOM 0 H ASP A 49 27.250 -13.735 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 49 29.279 -13.915 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.615 -13.804 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.909 -14.194 -4.218 1.00 0.00 H new ATOM 743 N GLY A 50 27.773 -16.162 -4.400 1.00 0.00 N ATOM 744 CA GLY A 50 27.581 -17.591 -4.239 1.00 0.00 C ATOM 745 C GLY A 50 27.146 -18.266 -5.525 1.00 0.00 C ATOM 746 O GLY A 50 27.777 -18.096 -6.568 1.00 0.00 O ATOM 0 H GLY A 50 27.025 -15.583 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 50 28.510 -18.042 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 50 26.832 -17.769 -3.467 1.00 0.00 H new ATOM 750 N ASP A 51 26.066 -19.037 -5.450 1.00 0.00 N ATOM 751 CA ASP A 51 25.547 -19.741 -6.617 1.00 0.00 C ATOM 752 C ASP A 51 24.628 -18.837 -7.433 1.00 0.00 C ATOM 753 O ASP A 51 24.678 -18.831 -8.662 1.00 0.00 O ATOM 754 CB ASP A 51 24.793 -21.000 -6.186 1.00 0.00 C ATOM 755 CG ASP A 51 25.608 -21.870 -5.248 1.00 0.00 C ATOM 756 OD1 ASP A 51 26.850 -21.877 -5.374 1.00 0.00 O ATOM 757 OD2 ASP A 51 25.002 -22.542 -4.387 1.00 0.00 O ATOM 0 H ASP A 51 25.533 -19.190 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 51 26.392 -20.029 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 51 23.863 -20.713 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.522 -21.578 -7.069 1.00 0.00 H new ATOM 762 N GLY A 52 23.788 -18.075 -6.740 1.00 0.00 N ATOM 763 CA GLY A 52 22.868 -17.179 -7.417 1.00 0.00 C ATOM 764 C GLY A 52 21.662 -16.835 -6.565 1.00 0.00 C ATOM 765 O GLY A 52 20.522 -17.053 -6.975 1.00 0.00 O ATOM 0 H GLY A 52 23.728 -18.062 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 52 23.391 -16.262 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.533 -17.641 -8.346 1.00 0.00 H new ATOM 769 N PHE A 53 21.913 -16.297 -5.377 1.00 0.00 N ATOM 770 CA PHE A 53 20.838 -15.924 -4.464 1.00 0.00 C ATOM 771 C PHE A 53 21.166 -14.621 -3.740 1.00 0.00 C ATOM 772 O PHE A 53 22.286 -14.116 -3.827 1.00 0.00 O ATOM 773 CB PHE A 53 20.596 -17.040 -3.445 1.00 0.00 C ATOM 774 CG PHE A 53 20.270 -18.365 -4.073 1.00 0.00 C ATOM 775 CD1 PHE A 53 21.272 -19.162 -4.601 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.960 -18.813 -4.135 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.975 -20.382 -5.179 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.657 -20.032 -4.711 1.00 0.00 C ATOM 779 CZ PHE A 53 19.666 -20.817 -5.235 1.00 0.00 C ATOM 0 H PHE A 53 22.851 -16.109 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 53 19.932 -15.774 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.483 -17.151 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.778 -16.748 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 53 22.298 -18.826 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 53 18.167 -18.203 -3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 53 21.766 -20.994 -5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.632 -20.371 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.431 -21.769 -5.688 1.00 0.00 H new ATOM 789 N ILE A 54 20.182 -14.083 -3.028 1.00 0.00 N ATOM 790 CA ILE A 54 20.366 -12.840 -2.289 1.00 0.00 C ATOM 791 C ILE A 54 19.407 -12.757 -1.107 1.00 0.00 C ATOM 792 O ILE A 54 18.195 -12.903 -1.266 1.00 0.00 O ATOM 793 CB ILE A 54 20.156 -11.612 -3.194 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.943 -11.821 -4.102 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.404 -11.344 -4.022 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.666 -10.651 -5.020 1.00 0.00 C ATOM 0 H ILE A 54 19.249 -14.488 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 54 21.392 -12.839 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 54 19.968 -10.743 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.100 -12.716 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.064 -12.003 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.240 -10.473 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.248 -11.155 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.620 -12.211 -4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.792 -10.869 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.477 -9.758 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.529 -10.481 -5.664 1.00 0.00 H new ATOM 808 N ASP A 55 19.958 -12.518 0.078 1.00 0.00 N ATOM 809 CA ASP A 55 19.151 -12.412 1.289 1.00 0.00 C ATOM 810 C ASP A 55 18.158 -11.259 1.180 1.00 0.00 C ATOM 811 O ASP A 55 16.951 -11.473 1.070 1.00 0.00 O ATOM 812 CB ASP A 55 20.050 -12.214 2.510 1.00 0.00 C ATOM 813 CG ASP A 55 19.275 -11.757 3.731 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.113 -12.186 3.891 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.830 -10.970 4.526 1.00 0.00 O ATOM 0 H ASP A 55 20.960 -12.394 0.226 1.00 0.00 H new ATOM 0 HA ASP A 55 18.591 -13.340 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.561 -13.150 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.820 -11.479 2.276 1.00 0.00 H new ATOM 820 N PHE A 56 18.675 -10.035 1.214 1.00 0.00 N ATOM 821 CA PHE A 56 17.834 -8.847 1.121 1.00 0.00 C ATOM 822 C PHE A 56 18.660 -7.625 0.731 1.00 0.00 C ATOM 823 O PHE A 56 18.292 -6.877 -0.174 1.00 0.00 O ATOM 824 CB PHE A 56 17.125 -8.593 2.453 1.00 0.00 C ATOM 825 CG PHE A 56 15.870 -7.779 2.319 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.915 -6.493 1.805 1.00 0.00 C ATOM 827 CD2 PHE A 56 14.646 -8.299 2.706 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.762 -5.741 1.682 1.00 0.00 C ATOM 829 CE2 PHE A 56 13.489 -7.552 2.584 1.00 0.00 C ATOM 830 CZ PHE A 56 13.548 -6.271 2.070 1.00 0.00 C ATOM 0 H PHE A 56 19.672 -9.840 1.305 1.00 0.00 H new ATOM 0 HA PHE A 56 17.087 -9.021 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.880 -9.550 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 56 17.810 -8.081 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 56 16.861 -6.074 1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.595 -9.300 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.811 -4.739 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.541 -7.969 2.890 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.646 -5.685 1.972 1.00 0.00 H new ATOM 840 N ASN A 57 19.778 -7.429 1.422 1.00 0.00 N ATOM 841 CA ASN A 57 20.656 -6.297 1.149 1.00 0.00 C ATOM 842 C ASN A 57 21.093 -6.287 -0.313 1.00 0.00 C ATOM 843 O ASN A 57 20.965 -5.276 -1.002 1.00 0.00 O ATOM 844 CB ASN A 57 21.885 -6.347 2.060 1.00 0.00 C ATOM 845 CG ASN A 57 21.924 -5.192 3.042 1.00 0.00 C ATOM 846 OD1 ASN A 57 21.977 -4.028 2.646 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.898 -5.511 4.331 1.00 0.00 N ATOM 0 H ASN A 57 20.097 -8.039 2.175 1.00 0.00 H new ATOM 0 HA ASN A 57 20.100 -5.381 1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.888 -7.288 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.788 -6.332 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.922 -4.777 5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.854 -6.490 4.613 1.00 0.00 H new ATOM 854 N GLU A 58 21.609 -7.421 -0.778 1.00 0.00 N ATOM 855 CA GLU A 58 22.065 -7.542 -2.158 1.00 0.00 C ATOM 856 C GLU A 58 20.907 -7.345 -3.133 1.00 0.00 C ATOM 857 O GLU A 58 21.103 -6.908 -4.267 1.00 0.00 O ATOM 858 CB GLU A 58 22.712 -8.909 -2.386 1.00 0.00 C ATOM 859 CG GLU A 58 24.006 -9.107 -1.615 1.00 0.00 C ATOM 860 CD GLU A 58 24.911 -10.144 -2.250 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.412 -11.238 -2.591 1.00 0.00 O ATOM 862 OE2 GLU A 58 26.118 -9.864 -2.407 1.00 0.00 O ATOM 0 H GLU A 58 21.721 -8.268 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 58 22.806 -6.763 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 58 22.006 -9.688 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.910 -9.034 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.536 -8.157 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.773 -9.410 -0.594 1.00 0.00 H new ATOM 869 N PHE A 59 19.700 -7.672 -2.682 1.00 0.00 N ATOM 870 CA PHE A 59 18.511 -7.533 -3.514 1.00 0.00 C ATOM 871 C PHE A 59 18.143 -6.063 -3.696 1.00 0.00 C ATOM 872 O PHE A 59 17.529 -5.686 -4.695 1.00 0.00 O ATOM 873 CB PHE A 59 17.336 -8.291 -2.891 1.00 0.00 C ATOM 874 CG PHE A 59 15.993 -7.784 -3.334 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.460 -8.171 -4.553 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.264 -6.921 -2.532 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.225 -7.706 -4.963 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.029 -6.453 -2.936 1.00 0.00 C ATOM 879 CZ PHE A 59 13.508 -6.847 -4.154 1.00 0.00 C ATOM 0 H PHE A 59 19.520 -8.035 -1.746 1.00 0.00 H new ATOM 0 HA PHE A 59 18.731 -7.958 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.419 -9.347 -3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.402 -8.219 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.016 -8.843 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.666 -6.610 -1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.821 -8.014 -5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.471 -5.780 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.542 -6.484 -4.472 1.00 0.00 H new ATOM 889 N ILE A 60 18.522 -5.240 -2.725 1.00 0.00 N ATOM 890 CA ILE A 60 18.232 -3.812 -2.778 1.00 0.00 C ATOM 891 C ILE A 60 19.297 -3.065 -3.575 1.00 0.00 C ATOM 892 O ILE A 60 19.018 -2.036 -4.190 1.00 0.00 O ATOM 893 CB ILE A 60 18.142 -3.203 -1.366 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.995 -3.844 -0.583 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.956 -1.696 -1.451 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.629 -3.548 -1.161 1.00 0.00 C ATOM 0 H ILE A 60 19.030 -5.537 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 60 17.267 -3.703 -3.273 1.00 0.00 H new ATOM 0 HB ILE A 60 19.074 -3.405 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.143 -4.924 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.028 -3.492 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.894 -1.280 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.803 -1.254 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.037 -1.473 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.864 -4.034 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.460 -2.471 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.577 -3.925 -2.182 1.00 0.00 H new ATOM 908 N SER A 61 20.517 -3.592 -3.560 1.00 0.00 N ATOM 909 CA SER A 61 21.625 -2.974 -4.280 1.00 0.00 C ATOM 910 C SER A 61 21.244 -2.702 -5.732 1.00 0.00 C ATOM 911 O SER A 61 21.345 -1.572 -6.212 1.00 0.00 O ATOM 912 CB SER A 61 22.861 -3.872 -4.224 1.00 0.00 C ATOM 913 OG SER A 61 23.959 -3.271 -4.889 1.00 0.00 O ATOM 0 H SER A 61 20.763 -4.445 -3.058 1.00 0.00 H new ATOM 0 HA SER A 61 21.854 -2.023 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.125 -4.069 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.636 -4.835 -4.683 1.00 0.00 H new ATOM 0 HG SER A 61 24.769 -3.799 -4.726 1.00 0.00 H new ATOM 919 N PHE A 62 20.807 -3.746 -6.428 1.00 0.00 N ATOM 920 CA PHE A 62 20.412 -3.622 -7.826 1.00 0.00 C ATOM 921 C PHE A 62 19.031 -2.986 -7.947 1.00 0.00 C ATOM 922 O PHE A 62 18.625 -2.558 -9.028 1.00 0.00 O ATOM 923 CB PHE A 62 20.415 -4.995 -8.503 1.00 0.00 C ATOM 924 CG PHE A 62 19.079 -5.388 -9.065 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.090 -5.903 -8.243 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.812 -5.244 -10.417 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.859 -6.265 -8.757 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.583 -5.604 -10.937 1.00 0.00 C ATOM 929 CZ PHE A 62 16.606 -6.117 -10.107 1.00 0.00 C ATOM 0 H PHE A 62 20.717 -4.688 -6.047 1.00 0.00 H new ATOM 0 HA PHE A 62 21.135 -2.977 -8.325 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.152 -4.994 -9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.732 -5.747 -7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.283 -6.023 -7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.573 -4.846 -11.072 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.096 -6.663 -8.104 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.387 -5.484 -11.992 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.646 -6.402 -10.512 1.00 0.00 H new ATOM 939 N CYS A 63 18.314 -2.927 -6.830 1.00 0.00 N ATOM 940 CA CYS A 63 16.977 -2.344 -6.810 1.00 0.00 C ATOM 941 C CYS A 63 17.047 -0.828 -6.662 1.00 0.00 C ATOM 942 O CYS A 63 16.446 -0.255 -5.754 1.00 0.00 O ATOM 943 CB CYS A 63 16.154 -2.943 -5.669 1.00 0.00 C ATOM 944 SG CYS A 63 14.389 -2.560 -5.750 1.00 0.00 S ATOM 0 H CYS A 63 18.636 -3.275 -5.927 1.00 0.00 H new ATOM 0 HA CYS A 63 16.492 -2.576 -7.758 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.280 -4.026 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.550 -2.580 -4.721 1.00 0.00 H new ATOM 0 HG CYS A 63 13.701 -3.656 -5.622 1.00 0.00 H new ATOM 950 N ASN A 64 17.787 -0.184 -7.559 1.00 0.00 N ATOM 951 CA ASN A 64 17.938 1.266 -7.526 1.00 0.00 C ATOM 952 C ASN A 64 16.576 1.954 -7.502 1.00 0.00 C ATOM 953 O ASN A 64 16.383 2.945 -6.799 1.00 0.00 O ATOM 954 CB ASN A 64 18.741 1.743 -8.738 1.00 0.00 C ATOM 955 CG ASN A 64 20.005 0.931 -8.949 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.936 0.991 -8.146 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.042 0.168 -10.035 1.00 0.00 N ATOM 0 H ASN A 64 18.291 -0.643 -8.317 1.00 0.00 H new ATOM 0 HA ASN A 64 18.475 1.530 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.119 1.680 -9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.004 2.793 -8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 64 20.866 -0.400 -10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.246 0.150 -10.673 1.00 0.00 H new ATOM 964 N ALA A 65 15.636 1.420 -8.274 1.00 0.00 N ATOM 965 CA ALA A 65 14.292 1.981 -8.340 1.00 0.00 C ATOM 966 C ALA A 65 14.336 3.486 -8.581 1.00 0.00 C ATOM 967 O ALA A 65 13.579 4.243 -7.974 1.00 0.00 O ATOM 968 CB ALA A 65 13.528 1.671 -7.061 1.00 0.00 C ATOM 0 H ALA A 65 15.780 0.600 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 65 13.774 1.521 -9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.526 2.096 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.457 0.591 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.053 2.104 -6.210 1.00 0.00 H new ATOM 974 N ASN A 66 15.228 3.912 -9.469 1.00 0.00 N ATOM 975 CA ASN A 66 15.371 5.328 -9.789 1.00 0.00 C ATOM 976 C ASN A 66 14.385 5.743 -10.877 1.00 0.00 C ATOM 977 O ASN A 66 13.469 6.533 -10.651 1.00 0.00 O ATOM 978 CB ASN A 66 16.802 5.628 -10.240 1.00 0.00 C ATOM 979 CG ASN A 66 17.605 6.348 -9.174 1.00 0.00 C ATOM 980 OD1 ASN A 66 17.924 7.529 -9.312 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.937 5.637 -8.102 1.00 0.00 N ATOM 0 H ASN A 66 15.862 3.298 -9.980 1.00 0.00 H new ATOM 0 HA ASN A 66 15.153 5.902 -8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.302 4.695 -10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.775 6.237 -11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.478 6.068 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.651 4.661 -8.029 1.00 0.00 H new ATOM 988 N PRO A 67 14.576 5.196 -12.087 1.00 0.00 N ATOM 989 CA PRO A 67 13.713 5.494 -13.234 1.00 0.00 C ATOM 990 C PRO A 67 12.317 4.901 -13.079 1.00 0.00 C ATOM 991 O PRO A 67 11.326 5.510 -13.479 1.00 0.00 O ATOM 992 CB PRO A 67 14.445 4.837 -14.408 1.00 0.00 C ATOM 993 CG PRO A 67 15.250 3.747 -13.790 1.00 0.00 C ATOM 994 CD PRO A 67 15.648 4.246 -12.428 1.00 0.00 C ATOM 0 HA PRO A 67 13.555 6.565 -13.357 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.742 4.443 -15.142 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.081 5.553 -14.928 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.669 2.828 -13.714 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.128 3.520 -14.394 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.710 3.433 -11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.624 4.731 -12.447 1.00 0.00 H new ATOM 1002 N GLY A 68 12.246 3.709 -12.493 1.00 0.00 N ATOM 1003 CA GLY A 68 10.966 3.055 -12.295 1.00 0.00 C ATOM 1004 C GLY A 68 10.989 1.599 -12.715 1.00 0.00 C ATOM 1005 O GLY A 68 9.993 1.074 -13.217 1.00 0.00 O ATOM 0 H GLY A 68 13.052 3.185 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.686 3.123 -11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.200 3.582 -12.864 1.00 0.00 H new ATOM 1009 N LEU A 69 12.126 0.943 -12.512 1.00 0.00 N ATOM 1010 CA LEU A 69 12.275 -0.462 -12.875 1.00 0.00 C ATOM 1011 C LEU A 69 11.711 -1.369 -11.786 1.00 0.00 C ATOM 1012 O LEU A 69 11.188 -2.446 -12.070 1.00 0.00 O ATOM 1013 CB LEU A 69 13.748 -0.793 -13.119 1.00 0.00 C ATOM 1014 CG LEU A 69 14.710 -0.452 -11.980 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.693 -1.589 -11.753 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.449 0.844 -12.277 1.00 0.00 C ATOM 0 H LEU A 69 12.959 1.362 -12.098 1.00 0.00 H new ATOM 0 HA LEU A 69 11.714 -0.636 -13.793 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.830 -1.859 -13.330 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.075 -0.265 -14.015 1.00 0.00 H new ATOM 0 HG LEU A 69 14.129 -0.315 -11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.369 -1.328 -10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.147 -2.496 -11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.269 -1.759 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.129 1.071 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.018 0.735 -13.200 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.730 1.656 -12.388 1.00 0.00 H new ATOM 1028 N MET A 70 11.820 -0.924 -10.538 1.00 0.00 N ATOM 1029 CA MET A 70 11.318 -1.694 -9.406 1.00 0.00 C ATOM 1030 C MET A 70 10.180 -0.956 -8.708 1.00 0.00 C ATOM 1031 O MET A 70 9.369 -1.563 -8.009 1.00 0.00 O ATOM 1032 CB MET A 70 12.446 -1.973 -8.411 1.00 0.00 C ATOM 1033 CG MET A 70 13.752 -2.385 -9.072 1.00 0.00 C ATOM 1034 SD MET A 70 13.920 -4.174 -9.222 1.00 0.00 S ATOM 1035 CE MET A 70 13.428 -4.419 -10.927 1.00 0.00 C ATOM 0 H MET A 70 12.251 -0.035 -10.285 1.00 0.00 H new ATOM 0 HA MET A 70 10.935 -2.641 -9.785 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.618 -1.080 -7.810 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.130 -2.761 -7.728 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.812 -1.934 -10.063 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.588 -1.993 -8.492 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.060 -5.181 -11.382 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.388 -4.742 -10.963 1.00 0.00 H new ATOM 0 HE3 MET A 70 13.536 -3.483 -11.475 1.00 0.00 H new ATOM 1045 N LYS A 71 10.126 0.358 -8.902 1.00 0.00 N ATOM 1046 CA LYS A 71 9.087 1.179 -8.293 1.00 0.00 C ATOM 1047 C LYS A 71 7.807 1.140 -9.121 1.00 0.00 C ATOM 1048 O LYS A 71 6.704 1.227 -8.580 1.00 0.00 O ATOM 1049 CB LYS A 71 9.570 2.624 -8.149 1.00 0.00 C ATOM 1050 CG LYS A 71 8.468 3.599 -7.770 1.00 0.00 C ATOM 1051 CD LYS A 71 7.857 3.252 -6.422 1.00 0.00 C ATOM 1052 CE LYS A 71 6.917 4.345 -5.939 1.00 0.00 C ATOM 1053 NZ LYS A 71 5.555 4.206 -6.526 1.00 0.00 N ATOM 0 H LYS A 71 10.790 0.877 -9.477 1.00 0.00 H new ATOM 0 HA LYS A 71 8.871 0.774 -7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.354 2.663 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.019 2.944 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.871 4.611 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.692 3.589 -8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.313 2.311 -6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.650 3.103 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.849 4.311 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.328 5.320 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.945 4.970 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.616 4.264 -7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.152 3.287 -6.254 1.00 0.00 H new ATOM 1067 N ASP A 72 7.960 1.007 -10.434 1.00 0.00 N ATOM 1068 CA ASP A 72 6.816 0.953 -11.336 1.00 0.00 C ATOM 1069 C ASP A 72 6.499 -0.487 -11.727 1.00 0.00 C ATOM 1070 O ASP A 72 6.003 -0.750 -12.822 1.00 0.00 O ATOM 1071 CB ASP A 72 7.088 1.786 -12.589 1.00 0.00 C ATOM 1072 CG ASP A 72 5.819 2.360 -13.189 1.00 0.00 C ATOM 1073 OD1 ASP A 72 5.285 3.337 -12.623 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.360 1.832 -14.224 1.00 0.00 O ATOM 0 H ASP A 72 8.866 0.935 -10.897 1.00 0.00 H new ATOM 0 HA ASP A 72 5.953 1.367 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.769 2.600 -12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.590 1.166 -13.332 1.00 0.00 H new ATOM 1079 N VAL A 73 6.790 -1.418 -10.823 1.00 0.00 N ATOM 1080 CA VAL A 73 6.536 -2.832 -11.073 1.00 0.00 C ATOM 1081 C VAL A 73 5.761 -3.463 -9.922 1.00 0.00 C ATOM 1082 O VAL A 73 4.958 -4.373 -10.126 1.00 0.00 O ATOM 1083 CB VAL A 73 7.850 -3.610 -11.280 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.244 -4.340 -10.005 1.00 0.00 C ATOM 1085 CG2 VAL A 73 7.715 -4.582 -12.442 1.00 0.00 C ATOM 0 H VAL A 73 7.202 -1.218 -9.911 1.00 0.00 H new ATOM 0 HA VAL A 73 5.940 -2.890 -11.984 1.00 0.00 H new ATOM 0 HB VAL A 73 8.640 -2.899 -11.521 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.174 -4.884 -10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.384 -3.618 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.457 -5.042 -9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.652 -5.123 -12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.913 -5.290 -12.233 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.483 -4.030 -13.353 1.00 0.00 H new ATOM 1095 N ALA A 74 6.006 -2.972 -8.711 1.00 0.00 N ATOM 1096 CA ALA A 74 5.329 -3.486 -7.527 1.00 0.00 C ATOM 1097 C ALA A 74 3.815 -3.380 -7.671 1.00 0.00 C ATOM 1098 O ALA A 74 3.069 -4.185 -7.113 1.00 0.00 O ATOM 1099 CB ALA A 74 5.797 -2.741 -6.286 1.00 0.00 C ATOM 0 H ALA A 74 6.668 -2.219 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 74 5.584 -4.540 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.283 -3.135 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.872 -2.873 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.571 -1.680 -6.392 1.00 0.00 H new ATOM 1105 N LYS A 75 3.365 -2.381 -8.423 1.00 0.00 N ATOM 1106 CA LYS A 75 1.939 -2.169 -8.642 1.00 0.00 C ATOM 1107 C LYS A 75 1.463 -2.913 -9.885 1.00 0.00 C ATOM 1108 O LYS A 75 0.262 -3.077 -10.101 1.00 0.00 O ATOM 1109 CB LYS A 75 1.641 -0.674 -8.783 1.00 0.00 C ATOM 1110 CG LYS A 75 2.492 0.204 -7.882 1.00 0.00 C ATOM 1111 CD LYS A 75 2.250 -0.104 -6.414 1.00 0.00 C ATOM 1112 CE LYS A 75 1.362 0.946 -5.763 1.00 0.00 C ATOM 1113 NZ LYS A 75 1.534 0.978 -4.284 1.00 0.00 N ATOM 0 H LYS A 75 3.968 -1.705 -8.891 1.00 0.00 H new ATOM 0 HA LYS A 75 1.402 -2.561 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.799 -0.377 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.589 -0.499 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.546 0.055 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.267 1.253 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.785 -1.085 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.204 -0.151 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.596 1.927 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.319 0.739 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.912 1.706 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.287 0.050 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.524 1.201 -4.054 1.00 0.00 H new ATOM 1127 N VAL A 76 2.412 -3.362 -10.700 1.00 0.00 N ATOM 1128 CA VAL A 76 2.089 -4.092 -11.921 1.00 0.00 C ATOM 1129 C VAL A 76 1.974 -5.588 -11.653 1.00 0.00 C ATOM 1130 O VAL A 76 2.397 -6.076 -10.605 1.00 0.00 O ATOM 1131 CB VAL A 76 3.150 -3.857 -13.012 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.580 -4.172 -14.387 1.00 0.00 C ATOM 1133 CG2 VAL A 76 3.665 -2.427 -12.955 1.00 0.00 C ATOM 0 H VAL A 76 3.411 -3.233 -10.537 1.00 0.00 H new ATOM 0 HA VAL A 76 1.128 -3.714 -12.271 1.00 0.00 H new ATOM 0 HB VAL A 76 3.989 -4.529 -12.829 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.344 -4.000 -15.146 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.264 -5.215 -14.420 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.723 -3.527 -14.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.414 -2.279 -13.733 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.837 -1.736 -13.112 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.114 -2.240 -11.979 1.00 0.00 H new ATOM 1143 N PHE A 77 1.398 -6.312 -12.607 1.00 0.00 N ATOM 1144 CA PHE A 77 1.227 -7.754 -12.475 1.00 0.00 C ATOM 1145 C PHE A 77 1.458 -8.454 -13.810 1.00 0.00 C ATOM 1146 O PHE A 77 1.342 -7.842 -14.871 1.00 0.00 O ATOM 1147 CB PHE A 77 -0.175 -8.076 -11.953 1.00 0.00 C ATOM 1148 CG PHE A 77 -0.311 -9.475 -11.424 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.412 -10.551 -12.292 1.00 0.00 C ATOM 1150 CD2 PHE A 77 -0.337 -9.715 -10.060 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -0.538 -11.840 -11.808 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -0.463 -11.002 -9.570 1.00 0.00 C ATOM 1153 CZ PHE A 77 -0.562 -12.065 -10.446 1.00 0.00 C ATOM 0 H PHE A 77 1.042 -5.923 -13.480 1.00 0.00 H new ATOM 0 HA PHE A 77 1.966 -8.119 -11.762 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.430 -7.371 -11.162 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.896 -7.928 -12.757 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.392 -10.381 -13.358 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.258 -8.887 -9.371 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.618 -12.670 -12.495 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.484 -11.175 -8.504 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.658 -13.071 -10.066 1.00 0.00 H new