USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 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 94 LYS NZ :NH3+ -164:sc= -0.062 (180deg=-0.479) USER MOD Single : A 97 ASN :FLIP amide:sc= -2.73! C(o=-14!,f=-2.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.242 USER MOD Single : A 107 HIS : no HE2:sc= 0.947 K(o=0.95,f=-3.1!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -2.78 K(o=-2.8,f=-6!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 144 MET CE :methyl 161:sc= -4.31! (180deg=-5.27!) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 8.383 13.547 0.053 1.00 0.00 N ATOM 53 CA GLU A 82 7.386 13.078 1.002 1.00 0.00 C ATOM 54 C GLU A 82 5.990 13.191 0.393 1.00 0.00 C ATOM 55 O GLU A 82 5.120 12.354 0.630 1.00 0.00 O ATOM 56 CB GLU A 82 7.472 13.919 2.285 1.00 0.00 C ATOM 57 CG GLU A 82 6.853 13.160 3.465 1.00 0.00 C ATOM 58 CD GLU A 82 7.831 12.118 4.001 1.00 0.00 C ATOM 59 OE1 GLU A 82 8.942 12.060 3.497 1.00 0.00 O ATOM 60 OE2 GLU A 82 7.460 11.400 4.915 1.00 0.00 O ATOM 0 HA GLU A 82 7.577 12.032 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.513 14.156 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.953 14.867 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.588 13.860 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.931 12.673 3.148 1.00 0.00 H new ATOM 67 N GLU A 83 5.783 14.242 -0.389 1.00 0.00 N ATOM 68 CA GLU A 83 4.492 14.465 -1.018 1.00 0.00 C ATOM 69 C GLU A 83 4.194 13.424 -2.100 1.00 0.00 C ATOM 70 O GLU A 83 3.124 12.818 -2.096 1.00 0.00 O ATOM 71 CB GLU A 83 4.461 15.872 -1.602 1.00 0.00 C ATOM 72 CG GLU A 83 4.443 16.882 -0.451 1.00 0.00 C ATOM 73 CD GLU A 83 4.514 18.301 -0.995 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.554 18.448 -2.204 1.00 0.00 O ATOM 75 OE2 GLU A 83 4.528 19.220 -0.194 1.00 0.00 O ATOM 0 H GLU A 83 6.488 14.948 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 83 3.716 14.361 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.332 16.037 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.580 16.001 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.535 16.756 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.285 16.698 0.217 1.00 0.00 H new ATOM 82 N GLU A 84 5.124 13.220 -3.032 1.00 0.00 N ATOM 83 CA GLU A 84 4.897 12.244 -4.100 1.00 0.00 C ATOM 84 C GLU A 84 4.446 10.928 -3.488 1.00 0.00 C ATOM 85 O GLU A 84 3.575 10.244 -4.027 1.00 0.00 O ATOM 86 CB GLU A 84 6.179 12.018 -4.912 1.00 0.00 C ATOM 87 CG GLU A 84 5.894 11.086 -6.101 1.00 0.00 C ATOM 88 CD GLU A 84 5.026 11.803 -7.129 1.00 0.00 C ATOM 89 OE1 GLU A 84 4.821 12.995 -6.974 1.00 0.00 O ATOM 90 OE2 GLU A 84 4.575 11.148 -8.055 1.00 0.00 O ATOM 0 H GLU A 84 6.021 13.704 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 84 4.127 12.629 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.564 12.972 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.950 11.583 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.831 10.772 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.391 10.184 -5.754 1.00 0.00 H new ATOM 97 N ILE A 85 5.040 10.590 -2.349 1.00 0.00 N ATOM 98 CA ILE A 85 4.686 9.364 -1.659 1.00 0.00 C ATOM 99 C ILE A 85 3.225 9.434 -1.227 1.00 0.00 C ATOM 100 O ILE A 85 2.454 8.497 -1.432 1.00 0.00 O ATOM 101 CB ILE A 85 5.567 9.202 -0.413 1.00 0.00 C ATOM 102 CG1 ILE A 85 7.028 8.982 -0.826 1.00 0.00 C ATOM 103 CG2 ILE A 85 5.106 7.989 0.384 1.00 0.00 C ATOM 104 CD1 ILE A 85 7.954 9.049 0.403 1.00 0.00 C ATOM 0 H ILE A 85 5.762 11.145 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 85 4.837 8.516 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 85 5.485 10.106 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.132 8.013 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.324 9.738 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.733 7.875 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.069 8.127 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.186 7.095 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.986 8.891 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.864 10.028 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.668 8.276 1.116 1.00 0.00 H new ATOM 116 N ARG A 86 2.853 10.563 -0.637 1.00 0.00 N ATOM 117 CA ARG A 86 1.487 10.752 -0.170 1.00 0.00 C ATOM 118 C ARG A 86 0.509 10.619 -1.335 1.00 0.00 C ATOM 119 O ARG A 86 -0.585 10.047 -1.196 1.00 0.00 O ATOM 120 CB ARG A 86 1.359 12.135 0.492 1.00 0.00 C ATOM 121 CG ARG A 86 2.084 12.118 1.846 1.00 0.00 C ATOM 122 CD ARG A 86 2.068 13.514 2.483 1.00 0.00 C ATOM 123 NE ARG A 86 2.747 13.480 3.781 1.00 0.00 N ATOM 124 CZ ARG A 86 2.590 14.456 4.676 1.00 0.00 C ATOM 125 NH1 ARG A 86 1.792 15.455 4.423 1.00 0.00 N ATOM 126 NH2 ARG A 86 3.227 14.408 5.813 1.00 0.00 N ATOM 0 H ARG A 86 3.473 11.356 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 86 1.246 9.985 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.788 12.901 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.308 12.388 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.604 11.402 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.113 11.786 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.561 14.229 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.040 13.853 2.610 1.00 0.00 H new ATOM 0 HE ARG A 86 3.354 12.691 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.285 15.492 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.674 16.200 5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.846 13.624 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.106 15.155 6.497 1.00 0.00 H new ATOM 140 N GLU A 87 0.927 11.098 -2.497 1.00 0.00 N ATOM 141 CA GLU A 87 0.087 10.994 -3.681 1.00 0.00 C ATOM 142 C GLU A 87 0.059 9.560 -4.193 1.00 0.00 C ATOM 143 O GLU A 87 -0.948 8.889 -4.098 1.00 0.00 O ATOM 144 CB GLU A 87 0.612 11.911 -4.783 1.00 0.00 C ATOM 145 CG GLU A 87 0.429 13.366 -4.360 1.00 0.00 C ATOM 146 CD GLU A 87 1.054 14.294 -5.397 1.00 0.00 C ATOM 147 OE1 GLU A 87 1.603 13.788 -6.362 1.00 0.00 O ATOM 148 OE2 GLU A 87 0.976 15.497 -5.209 1.00 0.00 O ATOM 0 H GLU A 87 1.827 11.555 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.924 11.296 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.666 11.705 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.078 11.721 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.632 13.591 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.891 13.531 -3.387 1.00 0.00 H new ATOM 155 N ALA A 88 1.174 9.097 -4.741 1.00 0.00 N ATOM 156 CA ALA A 88 1.250 7.740 -5.290 1.00 0.00 C ATOM 157 C ALA A 88 0.399 6.757 -4.490 1.00 0.00 C ATOM 158 O ALA A 88 -0.318 5.941 -5.065 1.00 0.00 O ATOM 159 CB ALA A 88 2.701 7.253 -5.302 1.00 0.00 C ATOM 0 H ALA A 88 2.038 9.634 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 88 0.863 7.782 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.743 6.244 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.304 7.920 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.091 7.247 -4.284 1.00 0.00 H new ATOM 165 N PHE A 89 0.491 6.834 -3.171 1.00 0.00 N ATOM 166 CA PHE A 89 -0.258 5.931 -2.310 1.00 0.00 C ATOM 167 C PHE A 89 -1.781 6.139 -2.385 1.00 0.00 C ATOM 168 O PHE A 89 -2.528 5.189 -2.635 1.00 0.00 O ATOM 169 CB PHE A 89 0.218 6.113 -0.865 1.00 0.00 C ATOM 170 CG PHE A 89 1.293 5.077 -0.557 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.983 3.704 -0.543 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.605 5.489 -0.334 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.994 2.761 -0.304 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.608 4.553 -0.090 1.00 0.00 C ATOM 175 CZ PHE A 89 3.308 3.189 -0.079 1.00 0.00 C ATOM 0 H PHE A 89 1.074 7.509 -2.675 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.067 4.917 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.614 7.119 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.620 6.001 -0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.032 3.377 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.846 6.542 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.759 1.707 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.620 4.883 0.091 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.089 2.465 0.103 1.00 0.00 H new ATOM 185 N ARG A 90 -2.233 7.365 -2.137 1.00 0.00 N ATOM 186 CA ARG A 90 -3.665 7.641 -2.149 1.00 0.00 C ATOM 187 C ARG A 90 -4.296 7.198 -3.472 1.00 0.00 C ATOM 188 O ARG A 90 -5.387 6.624 -3.488 1.00 0.00 O ATOM 189 CB ARG A 90 -3.900 9.131 -1.851 1.00 0.00 C ATOM 190 CG ARG A 90 -3.785 9.961 -3.128 1.00 0.00 C ATOM 191 CD ARG A 90 -5.075 9.893 -3.980 1.00 0.00 C ATOM 192 NE ARG A 90 -5.580 11.246 -4.202 1.00 0.00 N ATOM 193 CZ ARG A 90 -6.526 11.503 -5.099 1.00 0.00 C ATOM 194 NH1 ARG A 90 -7.024 10.540 -5.824 1.00 0.00 N ATOM 195 NH2 ARG A 90 -6.956 12.729 -5.247 1.00 0.00 N ATOM 0 H ARG A 90 -1.641 8.169 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.157 7.062 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.887 9.268 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.173 9.480 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.576 10.999 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.941 9.604 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.869 9.408 -4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.828 9.290 -3.473 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.196 12.015 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.687 9.585 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.750 10.742 -6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.565 13.479 -4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.682 12.936 -5.933 1.00 0.00 H new ATOM 209 N VAL A 91 -3.604 7.462 -4.566 1.00 0.00 N ATOM 210 CA VAL A 91 -4.090 7.080 -5.885 1.00 0.00 C ATOM 211 C VAL A 91 -3.875 5.588 -6.114 1.00 0.00 C ATOM 212 O VAL A 91 -4.481 4.988 -7.003 1.00 0.00 O ATOM 213 CB VAL A 91 -3.361 7.901 -6.958 1.00 0.00 C ATOM 214 CG1 VAL A 91 -1.872 7.554 -6.985 1.00 0.00 C ATOM 215 CG2 VAL A 91 -3.964 7.617 -8.332 1.00 0.00 C ATOM 0 H VAL A 91 -2.703 7.940 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.159 7.284 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.477 8.957 -6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.374 8.147 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.430 7.773 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.749 6.494 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.441 8.204 -9.087 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.862 6.556 -8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.020 7.888 -8.329 1.00 0.00 H new ATOM 225 N PHE A 92 -2.974 5.008 -5.329 1.00 0.00 N ATOM 226 CA PHE A 92 -2.648 3.593 -5.477 1.00 0.00 C ATOM 227 C PHE A 92 -3.903 2.748 -5.381 1.00 0.00 C ATOM 228 O PHE A 92 -4.135 1.870 -6.210 1.00 0.00 O ATOM 229 CB PHE A 92 -1.674 3.161 -4.368 1.00 0.00 C ATOM 230 CG PHE A 92 -0.754 2.078 -4.874 1.00 0.00 C ATOM 231 CD1 PHE A 92 0.138 2.370 -5.913 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.778 0.798 -4.311 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.009 1.385 -6.386 1.00 0.00 C ATOM 234 CE2 PHE A 92 0.095 -0.189 -4.791 1.00 0.00 C ATOM 235 CZ PHE A 92 0.987 0.105 -5.826 1.00 0.00 C ATOM 0 H PHE A 92 -2.460 5.489 -4.591 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.187 3.448 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.089 4.018 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.232 2.800 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.153 3.358 -6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.466 0.571 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.699 1.613 -7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.078 -1.179 -4.360 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.659 -0.657 -6.193 1.00 0.00 H new ATOM 245 N ASP A 93 -4.714 3.014 -4.368 1.00 0.00 N ATOM 246 CA ASP A 93 -5.938 2.258 -4.200 1.00 0.00 C ATOM 247 C ASP A 93 -6.702 2.231 -5.515 1.00 0.00 C ATOM 248 O ASP A 93 -7.222 3.244 -5.972 1.00 0.00 O ATOM 249 CB ASP A 93 -6.791 2.878 -3.089 1.00 0.00 C ATOM 250 CG ASP A 93 -8.133 2.157 -2.972 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.411 1.311 -3.807 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.867 2.465 -2.047 1.00 0.00 O ATOM 0 H ASP A 93 -4.549 3.734 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.697 1.235 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.258 2.821 -2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.957 3.935 -3.298 1.00 0.00 H new ATOM 257 N LYS A 94 -6.717 1.060 -6.134 1.00 0.00 N ATOM 258 CA LYS A 94 -7.379 0.893 -7.423 1.00 0.00 C ATOM 259 C LYS A 94 -8.717 1.626 -7.411 1.00 0.00 C ATOM 260 O LYS A 94 -9.072 2.312 -8.371 1.00 0.00 O ATOM 261 CB LYS A 94 -7.614 -0.606 -7.691 1.00 0.00 C ATOM 262 CG LYS A 94 -7.746 -0.871 -9.207 1.00 0.00 C ATOM 263 CD LYS A 94 -6.363 -1.146 -9.810 1.00 0.00 C ATOM 264 CE LYS A 94 -6.483 -1.260 -11.328 1.00 0.00 C ATOM 265 NZ LYS A 94 -7.456 -2.338 -11.675 1.00 0.00 N ATOM 0 H LYS A 94 -6.281 0.214 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.748 1.307 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.787 -1.188 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.518 -0.936 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.404 -1.722 -9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.202 -0.011 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.674 -0.343 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.951 -2.067 -9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.812 -0.310 -11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.509 -1.481 -11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.341 -2.601 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.281 -3.170 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.425 -1.995 -11.517 1.00 0.00 H new ATOM 279 N ASP A 95 -9.445 1.474 -6.313 1.00 0.00 N ATOM 280 CA ASP A 95 -10.739 2.123 -6.173 1.00 0.00 C ATOM 281 C ASP A 95 -10.566 3.609 -5.862 1.00 0.00 C ATOM 282 O ASP A 95 -11.452 4.417 -6.130 1.00 0.00 O ATOM 283 CB ASP A 95 -11.513 1.450 -5.044 1.00 0.00 C ATOM 284 CG ASP A 95 -11.889 0.029 -5.448 1.00 0.00 C ATOM 285 OD1 ASP A 95 -11.745 -0.293 -6.616 1.00 0.00 O ATOM 286 OD2 ASP A 95 -12.308 -0.721 -4.581 1.00 0.00 O ATOM 0 H ASP A 95 -9.163 0.910 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 95 -11.287 2.029 -7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.908 1.432 -4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.412 2.023 -4.816 1.00 0.00 H new ATOM 291 N GLY A 96 -9.412 3.956 -5.308 1.00 0.00 N ATOM 292 CA GLY A 96 -9.114 5.351 -4.977 1.00 0.00 C ATOM 293 C GLY A 96 -10.091 5.918 -3.943 1.00 0.00 C ATOM 294 O GLY A 96 -10.738 6.934 -4.197 1.00 0.00 O ATOM 0 H GLY A 96 -8.668 3.298 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.097 5.423 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.155 5.955 -5.883 1.00 0.00 H new ATOM 298 N ASN A 97 -10.203 5.267 -2.777 1.00 0.00 N ATOM 299 CA ASN A 97 -11.120 5.744 -1.724 1.00 0.00 C ATOM 300 C ASN A 97 -10.361 6.380 -0.557 1.00 0.00 C ATOM 301 O ASN A 97 -10.960 6.733 0.460 1.00 0.00 O ATOM 302 CB ASN A 97 -11.980 4.586 -1.211 1.00 0.00 C ATOM 303 CG ASN A 97 -11.134 3.573 -0.441 1.00 0.00 C ATOM 304 OD1 ASN A 97 -9.853 3.768 -0.283 1.00 0.00 O flip ATOM 305 ND2 ASN A 97 -11.661 2.564 0.029 1.00 0.00 N flip ATOM 0 H ASN A 97 -9.682 4.423 -2.538 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.759 6.508 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.768 4.972 -0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.470 4.092 -2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.662 2.408 -0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.097 1.885 0.539 1.00 0.00 H new ATOM 312 N GLY A 98 -9.049 6.547 -0.711 1.00 0.00 N ATOM 313 CA GLY A 98 -8.237 7.163 0.338 1.00 0.00 C ATOM 314 C GLY A 98 -7.812 6.158 1.407 1.00 0.00 C ATOM 315 O GLY A 98 -7.491 6.536 2.534 1.00 0.00 O ATOM 0 H GLY A 98 -8.529 6.268 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.350 7.612 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.802 7.970 0.805 1.00 0.00 H new ATOM 319 N TYR A 99 -7.802 4.883 1.041 1.00 0.00 N ATOM 320 CA TYR A 99 -7.400 3.820 1.962 1.00 0.00 C ATOM 321 C TYR A 99 -6.746 2.683 1.177 1.00 0.00 C ATOM 322 O TYR A 99 -7.097 2.450 0.021 1.00 0.00 O ATOM 323 CB TYR A 99 -8.624 3.318 2.727 1.00 0.00 C ATOM 324 CG TYR A 99 -9.104 4.406 3.660 1.00 0.00 C ATOM 325 CD1 TYR A 99 -8.416 4.651 4.855 1.00 0.00 C ATOM 326 CD2 TYR A 99 -10.234 5.169 3.336 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.854 5.656 5.724 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.673 6.176 4.206 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.982 6.418 5.400 1.00 0.00 C ATOM 330 OH TYR A 99 -10.415 7.408 6.259 1.00 0.00 O ATOM 0 H TYR A 99 -8.068 4.556 0.112 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.676 4.206 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.416 3.043 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.372 2.421 3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.546 4.063 5.106 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.767 4.981 2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -8.322 5.844 6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.543 6.765 3.956 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.209 7.842 5.884 1.00 0.00 H new ATOM 340 N ILE A 100 -5.773 1.990 1.788 1.00 0.00 N ATOM 341 CA ILE A 100 -5.075 0.902 1.088 1.00 0.00 C ATOM 342 C ILE A 100 -5.463 -0.471 1.639 1.00 0.00 C ATOM 343 O ILE A 100 -5.173 -0.793 2.794 1.00 0.00 O ATOM 344 CB ILE A 100 -3.566 1.091 1.257 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.159 2.521 0.863 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.801 0.095 0.386 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.653 2.851 -0.543 1.00 0.00 C ATOM 0 H ILE A 100 -5.457 2.158 2.743 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.361 0.940 0.037 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.319 0.918 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.574 3.233 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.075 2.621 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.729 0.244 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.065 -0.921 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.062 0.251 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.356 3.867 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.217 2.151 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.740 2.772 -0.575 1.00 0.00 H new ATOM 359 N SER A 101 -6.105 -1.286 0.792 1.00 0.00 N ATOM 360 CA SER A 101 -6.519 -2.644 1.173 1.00 0.00 C ATOM 361 C SER A 101 -5.636 -3.660 0.454 1.00 0.00 C ATOM 362 O SER A 101 -5.007 -3.338 -0.548 1.00 0.00 O ATOM 363 CB SER A 101 -7.977 -2.888 0.785 1.00 0.00 C ATOM 364 OG SER A 101 -8.221 -4.290 0.732 1.00 0.00 O ATOM 0 H SER A 101 -6.350 -1.028 -0.164 1.00 0.00 H new ATOM 0 HA SER A 101 -6.416 -2.752 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.642 -2.419 1.510 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.189 -2.433 -0.183 1.00 0.00 H new ATOM 0 HG SER A 101 -9.156 -4.450 0.485 1.00 0.00 H new ATOM 370 N ALA A 102 -5.583 -4.872 0.984 1.00 0.00 N ATOM 371 CA ALA A 102 -4.756 -5.930 0.407 1.00 0.00 C ATOM 372 C ALA A 102 -5.164 -6.278 -1.029 1.00 0.00 C ATOM 373 O ALA A 102 -4.305 -6.534 -1.874 1.00 0.00 O ATOM 374 CB ALA A 102 -4.865 -7.185 1.285 1.00 0.00 C ATOM 0 H ALA A 102 -6.103 -5.152 1.816 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.729 -5.566 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.251 -7.980 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.518 -6.956 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.904 -7.512 1.325 1.00 0.00 H new ATOM 380 N ALA A 103 -6.458 -6.308 -1.296 1.00 0.00 N ATOM 381 CA ALA A 103 -6.939 -6.651 -2.626 1.00 0.00 C ATOM 382 C ALA A 103 -6.423 -5.664 -3.665 1.00 0.00 C ATOM 383 O ALA A 103 -6.174 -6.025 -4.818 1.00 0.00 O ATOM 384 CB ALA A 103 -8.465 -6.648 -2.632 1.00 0.00 C ATOM 0 H ALA A 103 -7.190 -6.101 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.568 -7.644 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.825 -6.905 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.833 -7.380 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.828 -5.657 -2.359 1.00 0.00 H new ATOM 390 N GLU A 104 -6.293 -4.409 -3.264 1.00 0.00 N ATOM 391 CA GLU A 104 -5.830 -3.378 -4.174 1.00 0.00 C ATOM 392 C GLU A 104 -4.364 -3.586 -4.542 1.00 0.00 C ATOM 393 O GLU A 104 -3.971 -3.351 -5.683 1.00 0.00 O ATOM 394 CB GLU A 104 -5.982 -2.012 -3.506 1.00 0.00 C ATOM 395 CG GLU A 104 -7.427 -1.833 -3.049 1.00 0.00 C ATOM 396 CD GLU A 104 -7.553 -0.564 -2.218 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.545 0.105 -2.037 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.652 -0.278 -1.769 1.00 0.00 O ATOM 0 H GLU A 104 -6.501 -4.083 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.429 -3.430 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.307 -1.934 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.708 -1.221 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.087 -1.779 -3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.742 -2.696 -2.462 1.00 0.00 H new ATOM 405 N LEU A 105 -3.555 -3.995 -3.561 1.00 0.00 N ATOM 406 CA LEU A 105 -2.127 -4.194 -3.801 1.00 0.00 C ATOM 407 C LEU A 105 -1.887 -5.307 -4.803 1.00 0.00 C ATOM 408 O LEU A 105 -1.134 -5.137 -5.753 1.00 0.00 O ATOM 409 CB LEU A 105 -1.412 -4.551 -2.499 1.00 0.00 C ATOM 410 CG LEU A 105 -1.780 -3.533 -1.420 1.00 0.00 C ATOM 411 CD1 LEU A 105 -1.056 -3.872 -0.116 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.390 -2.122 -1.872 1.00 0.00 C ATOM 0 H LEU A 105 -3.860 -4.192 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.733 -3.260 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.695 -5.554 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.333 -4.558 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.857 -3.570 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.323 -3.142 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.350 -4.868 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.021 -3.847 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.657 -1.405 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.315 -2.081 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.920 -1.875 -2.792 1.00 0.00 H new ATOM 424 N ARG A 106 -2.510 -6.458 -4.592 1.00 0.00 N ATOM 425 CA ARG A 106 -2.309 -7.569 -5.502 1.00 0.00 C ATOM 426 C ARG A 106 -2.815 -7.226 -6.898 1.00 0.00 C ATOM 427 O ARG A 106 -2.159 -7.550 -7.891 1.00 0.00 O ATOM 428 CB ARG A 106 -3.012 -8.823 -4.971 1.00 0.00 C ATOM 429 CG ARG A 106 -4.513 -8.565 -4.864 1.00 0.00 C ATOM 430 CD ARG A 106 -5.198 -9.766 -4.222 1.00 0.00 C ATOM 431 NE ARG A 106 -6.650 -9.631 -4.340 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.469 -10.582 -3.894 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.983 -11.638 -3.310 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.760 -10.457 -4.050 1.00 0.00 N ATOM 0 H ARG A 106 -3.145 -6.642 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.239 -7.768 -5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.825 -9.666 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.609 -9.092 -3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.696 -7.670 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.931 -8.382 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.869 -10.685 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.915 -9.839 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.042 -8.794 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.975 -11.738 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.610 -12.366 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.140 -9.632 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.388 -11.185 -3.709 1.00 0.00 H new ATOM 448 N HIS A 107 -3.987 -6.600 -6.982 1.00 0.00 N ATOM 449 CA HIS A 107 -4.562 -6.252 -8.274 1.00 0.00 C ATOM 450 C HIS A 107 -3.720 -5.206 -8.997 1.00 0.00 C ATOM 451 O HIS A 107 -3.330 -5.410 -10.141 1.00 0.00 O ATOM 452 CB HIS A 107 -5.985 -5.699 -8.059 1.00 0.00 C ATOM 453 CG HIS A 107 -6.976 -6.824 -8.006 1.00 0.00 C ATOM 454 ND1 HIS A 107 -7.616 -7.178 -6.831 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.461 -7.671 -8.970 1.00 0.00 C ATOM 456 CE1 HIS A 107 -8.447 -8.195 -7.113 1.00 0.00 C ATOM 457 NE2 HIS A 107 -8.392 -8.536 -8.406 1.00 0.00 N ATOM 0 H HIS A 107 -4.551 -6.327 -6.177 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.589 -7.151 -8.890 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.024 -5.126 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.243 -5.015 -8.868 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -7.481 -6.745 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.165 -7.667 -10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.082 -8.678 -6.385 1.00 0.00 H new ATOM 466 N VAL A 108 -3.458 -4.082 -8.338 1.00 0.00 N ATOM 467 CA VAL A 108 -2.677 -3.021 -8.960 1.00 0.00 C ATOM 468 C VAL A 108 -1.258 -3.496 -9.277 1.00 0.00 C ATOM 469 O VAL A 108 -0.747 -3.246 -10.365 1.00 0.00 O ATOM 470 CB VAL A 108 -2.648 -1.785 -8.053 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.673 -2.009 -6.899 1.00 0.00 C ATOM 472 CG2 VAL A 108 -2.210 -0.563 -8.870 1.00 0.00 C ATOM 0 H VAL A 108 -3.770 -3.884 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.154 -2.751 -9.902 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.645 -1.613 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.658 -1.127 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.991 -2.874 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.674 -2.186 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.189 0.316 -8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.215 -0.737 -9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.914 -0.399 -9.685 1.00 0.00 H new ATOM 482 N MET A 109 -0.619 -4.163 -8.324 1.00 0.00 N ATOM 483 CA MET A 109 0.740 -4.642 -8.548 1.00 0.00 C ATOM 484 C MET A 109 0.757 -5.600 -9.730 1.00 0.00 C ATOM 485 O MET A 109 1.576 -5.467 -10.643 1.00 0.00 O ATOM 486 CB MET A 109 1.270 -5.335 -7.294 1.00 0.00 C ATOM 487 CG MET A 109 1.405 -4.307 -6.164 1.00 0.00 C ATOM 488 SD MET A 109 2.924 -3.343 -6.396 1.00 0.00 S ATOM 489 CE MET A 109 3.441 -3.270 -4.663 1.00 0.00 C ATOM 0 H MET A 109 -1.009 -4.381 -7.407 1.00 0.00 H new ATOM 0 HA MET A 109 1.386 -3.793 -8.770 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.594 -6.135 -6.994 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.237 -5.795 -7.500 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.540 -3.644 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.427 -4.813 -5.199 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.373 -2.710 -4.585 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.669 -2.775 -4.074 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.593 -4.281 -4.286 1.00 0.00 H new ATOM 499 N THR A 110 -0.153 -6.565 -9.722 1.00 0.00 N ATOM 500 CA THR A 110 -0.230 -7.523 -10.810 1.00 0.00 C ATOM 501 C THR A 110 -0.566 -6.796 -12.113 1.00 0.00 C ATOM 502 O THR A 110 0.018 -7.075 -13.161 1.00 0.00 O ATOM 503 CB THR A 110 -1.300 -8.573 -10.501 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.922 -9.297 -9.337 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.436 -9.535 -11.683 1.00 0.00 C ATOM 0 H THR A 110 -0.840 -6.702 -8.981 1.00 0.00 H new ATOM 0 HA THR A 110 0.732 -8.022 -10.921 1.00 0.00 H new ATOM 0 HB THR A 110 -2.257 -8.079 -10.331 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.012 -8.720 -8.550 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.199 -10.281 -11.459 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.724 -8.978 -12.574 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.482 -10.033 -11.859 1.00 0.00 H new ATOM 513 N ASN A 111 -1.508 -5.863 -12.026 1.00 0.00 N ATOM 514 CA ASN A 111 -1.929 -5.077 -13.183 1.00 0.00 C ATOM 515 C ASN A 111 -0.768 -4.241 -13.707 1.00 0.00 C ATOM 516 O ASN A 111 -0.605 -4.071 -14.914 1.00 0.00 O ATOM 517 CB ASN A 111 -3.076 -4.151 -12.792 1.00 0.00 C ATOM 518 CG ASN A 111 -3.692 -3.530 -14.035 1.00 0.00 C ATOM 519 OD1 ASN A 111 -3.461 -2.360 -14.327 1.00 0.00 O ATOM 520 ND2 ASN A 111 -4.477 -4.252 -14.786 1.00 0.00 N ATOM 0 H ASN A 111 -1.998 -5.631 -11.162 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.259 -5.762 -13.964 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.833 -4.709 -12.241 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.711 -3.368 -12.127 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.902 -3.845 -15.619 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.666 -5.224 -14.540 1.00 0.00 H new ATOM 527 N LEU A 112 0.032 -3.727 -12.777 1.00 0.00 N ATOM 528 CA LEU A 112 1.185 -2.913 -13.125 1.00 0.00 C ATOM 529 C LEU A 112 2.157 -3.740 -13.953 1.00 0.00 C ATOM 530 O LEU A 112 2.794 -3.227 -14.875 1.00 0.00 O ATOM 531 CB LEU A 112 1.882 -2.400 -11.847 1.00 0.00 C ATOM 532 CG LEU A 112 1.181 -1.130 -11.313 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.484 -0.955 -9.815 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.680 0.116 -12.072 1.00 0.00 C ATOM 0 H LEU A 112 -0.100 -3.862 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 112 0.854 -2.054 -13.708 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.868 -3.177 -11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.928 -2.181 -12.061 1.00 0.00 H new ATOM 0 HG LEU A 112 0.107 -1.241 -11.463 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.987 -0.058 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.120 -1.824 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.560 -0.859 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.178 1.003 -11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.756 0.219 -11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.459 0.008 -13.134 1.00 0.00 H new ATOM 546 N GLY A 113 2.271 -5.028 -13.627 1.00 0.00 N ATOM 547 CA GLY A 113 3.177 -5.915 -14.362 1.00 0.00 C ATOM 548 C GLY A 113 3.959 -6.806 -13.406 1.00 0.00 C ATOM 549 O GLY A 113 4.746 -7.649 -13.840 1.00 0.00 O ATOM 0 H GLY A 113 1.756 -5.477 -12.870 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.605 -6.532 -15.055 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.868 -5.321 -14.960 1.00 0.00 H new ATOM 553 N GLU A 114 3.743 -6.616 -12.104 1.00 0.00 N ATOM 554 CA GLU A 114 4.437 -7.415 -11.089 1.00 0.00 C ATOM 555 C GLU A 114 3.436 -8.290 -10.340 1.00 0.00 C ATOM 556 O GLU A 114 2.673 -7.800 -9.507 1.00 0.00 O ATOM 557 CB GLU A 114 5.151 -6.486 -10.105 1.00 0.00 C ATOM 558 CG GLU A 114 5.960 -5.445 -10.883 1.00 0.00 C ATOM 559 CD GLU A 114 7.023 -6.130 -11.737 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.366 -7.258 -11.431 1.00 0.00 O ATOM 561 OE2 GLU A 114 7.470 -5.517 -12.693 1.00 0.00 O ATOM 0 H GLU A 114 3.098 -5.921 -11.727 1.00 0.00 H new ATOM 0 HA GLU A 114 5.171 -8.056 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.423 -5.991 -9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.809 -7.063 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.296 -4.859 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.433 -4.750 -10.190 1.00 0.00 H new ATOM 568 N LYS A 115 3.435 -9.586 -10.656 1.00 0.00 N ATOM 569 CA LYS A 115 2.513 -10.524 -10.020 1.00 0.00 C ATOM 570 C LYS A 115 3.061 -11.003 -8.678 1.00 0.00 C ATOM 571 O LYS A 115 3.812 -11.975 -8.609 1.00 0.00 O ATOM 572 CB LYS A 115 2.284 -11.727 -10.944 1.00 0.00 C ATOM 573 CG LYS A 115 1.227 -12.657 -10.341 1.00 0.00 C ATOM 574 CD LYS A 115 0.955 -13.816 -11.306 1.00 0.00 C ATOM 575 CE LYS A 115 -0.112 -14.739 -10.710 1.00 0.00 C ATOM 576 NZ LYS A 115 -0.411 -15.844 -11.667 1.00 0.00 N ATOM 0 H LYS A 115 4.059 -10.007 -11.345 1.00 0.00 H new ATOM 0 HA LYS A 115 1.568 -10.011 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.961 -11.385 -11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.219 -12.269 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 115 1.571 -13.042 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.307 -12.104 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 115 0.620 -13.430 -12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.873 -14.374 -11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.237 -15.150 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.019 -14.173 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.136 -16.469 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.761 -15.444 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 0.455 -16.390 -11.848 1.00 0.00 H new ATOM 590 N LEU A 116 2.656 -10.315 -7.614 1.00 0.00 N ATOM 591 CA LEU A 116 3.084 -10.665 -6.262 1.00 0.00 C ATOM 592 C LEU A 116 2.320 -11.898 -5.777 1.00 0.00 C ATOM 593 O LEU A 116 1.602 -12.541 -6.546 1.00 0.00 O ATOM 594 CB LEU A 116 2.838 -9.479 -5.304 1.00 0.00 C ATOM 595 CG LEU A 116 4.027 -8.513 -5.331 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.264 -8.027 -6.763 1.00 0.00 C ATOM 597 CD2 LEU A 116 3.718 -7.316 -4.423 1.00 0.00 C ATOM 0 H LEU A 116 2.031 -9.510 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 116 4.150 -10.891 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.928 -8.953 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.685 -9.848 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 116 4.923 -9.022 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.110 -7.340 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.477 -8.881 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.373 -7.514 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.559 -6.623 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.823 -6.808 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.552 -7.666 -3.404 1.00 0.00 H new ATOM 609 N THR A 117 2.479 -12.216 -4.491 1.00 0.00 N ATOM 610 CA THR A 117 1.798 -13.367 -3.891 1.00 0.00 C ATOM 611 C THR A 117 0.705 -12.888 -2.940 1.00 0.00 C ATOM 612 O THR A 117 0.947 -12.068 -2.056 1.00 0.00 O ATOM 613 CB THR A 117 2.807 -14.240 -3.114 1.00 0.00 C ATOM 614 OG1 THR A 117 4.098 -14.086 -3.683 1.00 0.00 O ATOM 615 CG2 THR A 117 2.402 -15.721 -3.174 1.00 0.00 C ATOM 0 H THR A 117 3.072 -11.695 -3.845 1.00 0.00 H new ATOM 0 HA THR A 117 1.351 -13.961 -4.689 1.00 0.00 H new ATOM 0 HB THR A 117 2.815 -13.920 -2.072 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.741 -14.638 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 117 3.126 -16.319 -2.620 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.414 -15.846 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 117 2.378 -16.050 -4.213 1.00 0.00 H new ATOM 623 N ASP A 118 -0.493 -13.397 -3.153 1.00 0.00 N ATOM 624 CA ASP A 118 -1.639 -13.018 -2.335 1.00 0.00 C ATOM 625 C ASP A 118 -1.346 -13.272 -0.864 1.00 0.00 C ATOM 626 O ASP A 118 -1.765 -12.507 0.003 1.00 0.00 O ATOM 627 CB ASP A 118 -2.877 -13.816 -2.752 1.00 0.00 C ATOM 628 CG ASP A 118 -3.158 -13.619 -4.239 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.771 -12.587 -4.765 1.00 0.00 O ATOM 630 OD2 ASP A 118 -3.756 -14.506 -4.829 1.00 0.00 O ATOM 0 H ASP A 118 -0.703 -14.075 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.829 -11.955 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.724 -14.874 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.739 -13.496 -2.167 1.00 0.00 H new ATOM 635 N GLU A 119 -0.629 -14.351 -0.588 1.00 0.00 N ATOM 636 CA GLU A 119 -0.289 -14.688 0.784 1.00 0.00 C ATOM 637 C GLU A 119 0.664 -13.649 1.374 1.00 0.00 C ATOM 638 O GLU A 119 0.562 -13.291 2.553 1.00 0.00 O ATOM 639 CB GLU A 119 0.361 -16.071 0.827 1.00 0.00 C ATOM 640 CG GLU A 119 -0.654 -17.105 0.346 1.00 0.00 C ATOM 641 CD GLU A 119 -0.051 -18.504 0.391 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.082 -18.625 0.825 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.734 -19.434 -0.006 1.00 0.00 O ATOM 0 H GLU A 119 -0.275 -15.002 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.203 -14.696 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.249 -16.091 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.686 -16.304 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.546 -17.066 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.968 -16.870 -0.671 1.00 0.00 H new ATOM 650 N GLU A 120 1.559 -13.133 0.532 1.00 0.00 N ATOM 651 CA GLU A 120 2.499 -12.103 0.971 1.00 0.00 C ATOM 652 C GLU A 120 1.769 -10.778 1.155 1.00 0.00 C ATOM 653 O GLU A 120 1.949 -10.090 2.160 1.00 0.00 O ATOM 654 CB GLU A 120 3.625 -11.929 -0.054 1.00 0.00 C ATOM 655 CG GLU A 120 4.657 -10.935 0.486 1.00 0.00 C ATOM 656 CD GLU A 120 5.804 -10.785 -0.506 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.892 -11.603 -1.407 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.577 -9.853 -0.352 1.00 0.00 O ATOM 0 H GLU A 120 1.653 -13.407 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 120 2.933 -12.415 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.100 -12.889 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.218 -11.570 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.186 -9.967 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.039 -11.280 1.447 1.00 0.00 H new ATOM 665 N VAL A 121 0.930 -10.436 0.180 1.00 0.00 N ATOM 666 CA VAL A 121 0.166 -9.199 0.246 1.00 0.00 C ATOM 667 C VAL A 121 -0.670 -9.198 1.517 1.00 0.00 C ATOM 668 O VAL A 121 -0.490 -8.363 2.397 1.00 0.00 O ATOM 669 CB VAL A 121 -0.750 -9.100 -0.983 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.762 -7.968 -0.799 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.100 -8.816 -2.223 1.00 0.00 C ATOM 0 H VAL A 121 0.765 -10.995 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 121 0.842 -8.344 0.257 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.286 -10.041 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.405 -7.909 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.371 -8.164 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.233 -7.024 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.546 -8.745 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.635 -7.876 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.817 -9.625 -2.366 1.00 0.00 H new ATOM 681 N ASP A 122 -1.579 -10.151 1.610 1.00 0.00 N ATOM 682 CA ASP A 122 -2.433 -10.264 2.784 1.00 0.00 C ATOM 683 C ASP A 122 -1.602 -10.093 4.051 1.00 0.00 C ATOM 684 O ASP A 122 -2.012 -9.402 4.978 1.00 0.00 O ATOM 685 CB ASP A 122 -3.116 -11.633 2.776 1.00 0.00 C ATOM 686 CG ASP A 122 -3.918 -11.844 4.053 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.764 -11.014 4.343 1.00 0.00 O ATOM 688 OD2 ASP A 122 -3.676 -12.837 4.719 1.00 0.00 O ATOM 0 H ASP A 122 -1.747 -10.856 0.892 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.192 -9.482 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.774 -11.711 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.366 -12.418 2.678 1.00 0.00 H new ATOM 693 N GLU A 123 -0.420 -10.701 4.078 1.00 0.00 N ATOM 694 CA GLU A 123 0.452 -10.567 5.240 1.00 0.00 C ATOM 695 C GLU A 123 1.102 -9.176 5.283 1.00 0.00 C ATOM 696 O GLU A 123 1.408 -8.660 6.358 1.00 0.00 O ATOM 697 CB GLU A 123 1.537 -11.638 5.214 1.00 0.00 C ATOM 698 CG GLU A 123 2.327 -11.590 6.521 1.00 0.00 C ATOM 699 CD GLU A 123 3.384 -12.686 6.526 1.00 0.00 C ATOM 700 OE1 GLU A 123 3.628 -13.249 5.472 1.00 0.00 O ATOM 701 OE2 GLU A 123 3.935 -12.948 7.582 1.00 0.00 O ATOM 0 H GLU A 123 -0.049 -11.280 3.325 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.159 -10.694 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.089 -12.623 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.204 -11.476 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.801 -10.615 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.654 -11.718 7.368 1.00 0.00 H new ATOM 708 N MET A 124 1.332 -8.592 4.104 1.00 0.00 N ATOM 709 CA MET A 124 1.969 -7.272 4.003 1.00 0.00 C ATOM 710 C MET A 124 1.271 -6.237 4.884 1.00 0.00 C ATOM 711 O MET A 124 1.881 -5.691 5.806 1.00 0.00 O ATOM 712 CB MET A 124 1.935 -6.799 2.548 1.00 0.00 C ATOM 713 CG MET A 124 2.800 -5.549 2.377 1.00 0.00 C ATOM 714 SD MET A 124 3.045 -5.239 0.611 1.00 0.00 S ATOM 715 CE MET A 124 4.614 -6.126 0.431 1.00 0.00 C ATOM 0 H MET A 124 1.088 -9.010 3.206 1.00 0.00 H new ATOM 0 HA MET A 124 2.998 -7.371 4.347 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.295 -7.592 1.892 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.908 -6.583 2.252 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.319 -4.691 2.847 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.761 -5.686 2.872 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.952 -6.060 -0.603 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.362 -5.679 1.087 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.473 -7.173 0.701 1.00 0.00 H new ATOM 725 N ILE A 125 0.001 -5.951 4.586 1.00 0.00 N ATOM 726 CA ILE A 125 -0.750 -4.964 5.354 1.00 0.00 C ATOM 727 C ILE A 125 -0.842 -5.388 6.816 1.00 0.00 C ATOM 728 O ILE A 125 -0.653 -4.578 7.719 1.00 0.00 O ATOM 729 CB ILE A 125 -2.175 -4.819 4.764 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.117 -3.961 3.481 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.133 -4.181 5.801 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.487 -3.949 2.779 1.00 0.00 C ATOM 0 H ILE A 125 -0.522 -6.386 3.826 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.232 -4.006 5.297 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.559 -5.808 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.821 -2.942 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.359 -4.357 2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.129 -4.088 5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.181 -4.812 6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.764 -3.193 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.428 -3.340 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.768 -4.968 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.236 -3.531 3.451 1.00 0.00 H new ATOM 744 N ARG A 126 -1.154 -6.652 7.032 1.00 0.00 N ATOM 745 CA ARG A 126 -1.301 -7.173 8.382 1.00 0.00 C ATOM 746 C ARG A 126 -0.177 -6.690 9.293 1.00 0.00 C ATOM 747 O ARG A 126 -0.405 -6.402 10.469 1.00 0.00 O ATOM 748 CB ARG A 126 -1.317 -8.703 8.335 1.00 0.00 C ATOM 749 CG ARG A 126 -2.623 -9.207 7.686 1.00 0.00 C ATOM 750 CD ARG A 126 -3.722 -9.339 8.745 1.00 0.00 C ATOM 751 NE ARG A 126 -3.291 -10.252 9.796 1.00 0.00 N ATOM 752 CZ ARG A 126 -3.985 -10.380 10.920 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.075 -9.687 11.091 1.00 0.00 N ATOM 754 NH2 ARG A 126 -3.577 -11.200 11.846 1.00 0.00 N ATOM 0 H ARG A 126 -1.311 -7.337 6.293 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.241 -6.804 8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.459 -9.065 7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.226 -9.105 9.344 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.941 -8.515 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.451 -10.171 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.948 -8.361 9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.640 -9.707 8.286 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.442 -10.802 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.393 -9.048 10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.610 -9.783 11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.725 -11.743 11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.110 -11.299 12.710 1.00 0.00 H new ATOM 768 N GLU A 127 1.033 -6.596 8.757 1.00 0.00 N ATOM 769 CA GLU A 127 2.171 -6.135 9.551 1.00 0.00 C ATOM 770 C GLU A 127 2.221 -4.608 9.594 1.00 0.00 C ATOM 771 O GLU A 127 2.641 -4.023 10.592 1.00 0.00 O ATOM 772 CB GLU A 127 3.465 -6.691 8.966 1.00 0.00 C ATOM 773 CG GLU A 127 3.496 -8.201 9.185 1.00 0.00 C ATOM 774 CD GLU A 127 4.715 -8.803 8.499 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.450 -8.054 7.876 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.895 -10.005 8.606 1.00 0.00 O ATOM 0 H GLU A 127 1.253 -6.829 7.789 1.00 0.00 H new ATOM 0 HA GLU A 127 2.054 -6.498 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.527 -6.463 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.326 -6.223 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.524 -8.421 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.586 -8.653 8.790 1.00 0.00 H new ATOM 783 N ALA A 128 1.794 -3.969 8.503 1.00 0.00 N ATOM 784 CA ALA A 128 1.795 -2.504 8.422 1.00 0.00 C ATOM 785 C ALA A 128 0.440 -1.944 8.842 1.00 0.00 C ATOM 786 O ALA A 128 -0.009 -0.918 8.324 1.00 0.00 O ATOM 787 CB ALA A 128 2.121 -2.057 6.986 1.00 0.00 C ATOM 0 H ALA A 128 1.445 -4.438 7.667 1.00 0.00 H new ATOM 0 HA ALA A 128 2.557 -2.120 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.120 -0.968 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.104 -2.432 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.370 -2.453 6.302 1.00 0.00 H new ATOM 793 N ASP A 129 -0.213 -2.619 9.792 1.00 0.00 N ATOM 794 CA ASP A 129 -1.522 -2.177 10.287 1.00 0.00 C ATOM 795 C ASP A 129 -1.437 -1.839 11.774 1.00 0.00 C ATOM 796 O ASP A 129 -1.189 -2.707 12.611 1.00 0.00 O ATOM 797 CB ASP A 129 -2.559 -3.282 10.046 1.00 0.00 C ATOM 798 CG ASP A 129 -3.949 -2.687 9.826 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.581 -2.342 10.798 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.352 -2.588 8.679 1.00 0.00 O ATOM 0 H ASP A 129 0.140 -3.469 10.232 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.827 -1.279 9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.271 -3.874 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.580 -3.959 10.900 1.00 0.00 H new ATOM 805 N ILE A 130 -1.647 -0.565 12.085 1.00 0.00 N ATOM 806 CA ILE A 130 -1.603 -0.093 13.475 1.00 0.00 C ATOM 807 C ILE A 130 -2.979 -0.185 14.128 1.00 0.00 C ATOM 808 O ILE A 130 -3.088 -0.449 15.325 1.00 0.00 O ATOM 809 CB ILE A 130 -1.101 1.358 13.544 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.260 1.437 12.842 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.949 1.785 15.015 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.869 2.835 13.004 1.00 0.00 C ATOM 0 H ILE A 130 -1.849 0.163 11.399 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.910 -0.737 14.017 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.813 2.022 13.055 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.935 0.690 13.259 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.143 1.205 11.783 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.593 2.814 15.060 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.914 1.713 15.516 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.232 1.131 15.512 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.834 2.872 12.499 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.201 3.576 12.564 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.005 3.052 14.063 1.00 0.00 H new ATOM 824 N ASP A 131 -4.021 0.056 13.345 1.00 0.00 N ATOM 825 CA ASP A 131 -5.390 0.021 13.868 1.00 0.00 C ATOM 826 C ASP A 131 -5.943 -1.403 13.854 1.00 0.00 C ATOM 827 O ASP A 131 -6.874 -1.730 14.589 1.00 0.00 O ATOM 828 CB ASP A 131 -6.289 0.924 13.014 1.00 0.00 C ATOM 829 CG ASP A 131 -7.668 1.067 13.650 1.00 0.00 C ATOM 830 OD1 ASP A 131 -7.930 0.375 14.621 1.00 0.00 O ATOM 831 OD2 ASP A 131 -8.444 1.868 13.155 1.00 0.00 O ATOM 0 H ASP A 131 -3.952 0.277 12.352 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.374 0.378 14.898 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.829 1.906 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.387 0.506 12.012 1.00 0.00 H new ATOM 836 N GLY A 132 -5.370 -2.239 13.002 1.00 0.00 N ATOM 837 CA GLY A 132 -5.814 -3.623 12.881 1.00 0.00 C ATOM 838 C GLY A 132 -7.228 -3.681 12.325 1.00 0.00 C ATOM 839 O GLY A 132 -8.073 -4.433 12.818 1.00 0.00 O ATOM 0 H GLY A 132 -4.598 -1.986 12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.137 -4.173 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.780 -4.109 13.856 1.00 0.00 H new ATOM 843 N ASP A 133 -7.485 -2.864 11.304 1.00 0.00 N ATOM 844 CA ASP A 133 -8.807 -2.802 10.679 1.00 0.00 C ATOM 845 C ASP A 133 -8.765 -3.339 9.247 1.00 0.00 C ATOM 846 O ASP A 133 -9.748 -3.893 8.760 1.00 0.00 O ATOM 847 CB ASP A 133 -9.282 -1.351 10.657 1.00 0.00 C ATOM 848 CG ASP A 133 -8.279 -0.489 9.897 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.091 -0.776 9.981 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.713 0.444 9.242 1.00 0.00 O ATOM 0 H ASP A 133 -6.795 -2.236 10.892 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.493 -3.419 11.259 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.262 -1.287 10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.395 -0.980 11.676 1.00 0.00 H new ATOM 855 N GLY A 134 -7.619 -3.180 8.576 1.00 0.00 N ATOM 856 CA GLY A 134 -7.460 -3.663 7.195 1.00 0.00 C ATOM 857 C GLY A 134 -7.220 -2.511 6.223 1.00 0.00 C ATOM 858 O GLY A 134 -7.224 -2.700 5.005 1.00 0.00 O ATOM 0 H GLY A 134 -6.792 -2.724 8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.624 -4.361 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.352 -4.213 6.896 1.00 0.00 H new ATOM 862 N GLN A 135 -7.005 -1.317 6.771 1.00 0.00 N ATOM 863 CA GLN A 135 -6.754 -0.122 5.955 1.00 0.00 C ATOM 864 C GLN A 135 -5.443 0.521 6.385 1.00 0.00 C ATOM 865 O GLN A 135 -5.260 0.852 7.554 1.00 0.00 O ATOM 866 CB GLN A 135 -7.900 0.880 6.116 1.00 0.00 C ATOM 867 CG GLN A 135 -9.238 0.191 5.829 1.00 0.00 C ATOM 868 CD GLN A 135 -9.219 -0.450 4.443 1.00 0.00 C ATOM 869 OE1 GLN A 135 -8.953 0.218 3.447 1.00 0.00 O ATOM 870 NE2 GLN A 135 -9.481 -1.720 4.322 1.00 0.00 N ATOM 0 H GLN A 135 -6.999 -1.147 7.777 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.689 -0.415 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -7.900 1.287 7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.759 1.719 5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.433 -0.569 6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.049 0.917 5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.702 -2.276 5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.465 -2.159 3.401 1.00 0.00 H new ATOM 879 N VAL A 136 -4.531 0.701 5.425 1.00 0.00 N ATOM 880 CA VAL A 136 -3.229 1.311 5.707 1.00 0.00 C ATOM 881 C VAL A 136 -3.120 2.667 5.042 1.00 0.00 C ATOM 882 O VAL A 136 -3.365 2.809 3.844 1.00 0.00 O ATOM 883 CB VAL A 136 -2.099 0.413 5.191 1.00 0.00 C ATOM 884 CG1 VAL A 136 -0.745 0.969 5.631 1.00 0.00 C ATOM 885 CG2 VAL A 136 -2.274 -0.991 5.752 1.00 0.00 C ATOM 0 H VAL A 136 -4.669 0.434 4.450 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.140 1.430 6.787 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.136 0.383 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.051 0.324 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.616 1.974 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.703 1.006 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.471 -1.632 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.242 -0.954 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.235 -1.394 5.431 1.00 0.00 H new ATOM 895 N ASN A 137 -2.736 3.656 5.839 1.00 0.00 N ATOM 896 CA ASN A 137 -2.576 5.013 5.342 1.00 0.00 C ATOM 897 C ASN A 137 -1.306 5.105 4.516 1.00 0.00 C ATOM 898 O ASN A 137 -0.853 4.112 3.941 1.00 0.00 O ATOM 899 CB ASN A 137 -2.503 6.006 6.500 1.00 0.00 C ATOM 900 CG ASN A 137 -3.750 5.892 7.365 1.00 0.00 C ATOM 901 OD1 ASN A 137 -4.868 5.938 6.854 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.622 5.748 8.654 1.00 0.00 N ATOM 0 H ASN A 137 -2.530 3.542 6.831 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.438 5.261 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.615 5.811 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.410 7.021 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.451 5.673 9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.693 5.710 9.073 1.00 0.00 H new ATOM 909 N TYR A 138 -0.734 6.297 4.437 1.00 0.00 N ATOM 910 CA TYR A 138 0.473 6.490 3.651 1.00 0.00 C ATOM 911 C TYR A 138 1.716 6.053 4.423 1.00 0.00 C ATOM 912 O TYR A 138 2.435 5.159 3.990 1.00 0.00 O ATOM 913 CB TYR A 138 0.601 7.973 3.263 1.00 0.00 C ATOM 914 CG TYR A 138 -0.781 8.551 3.046 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.673 7.907 2.190 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.174 9.716 3.715 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.960 8.423 1.991 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.462 10.235 3.523 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.356 9.588 2.661 1.00 0.00 C ATOM 920 OH TYR A 138 -4.628 10.093 2.479 1.00 0.00 O ATOM 0 H TYR A 138 -1.082 7.136 4.902 1.00 0.00 H new ATOM 0 HA TYR A 138 0.398 5.875 2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.119 8.523 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.197 8.074 2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.370 7.006 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.484 10.215 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.646 7.924 1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.765 11.134 4.040 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.738 10.904 3.018 1.00 0.00 H new ATOM 930 N GLU A 139 1.944 6.678 5.577 1.00 0.00 N ATOM 931 CA GLU A 139 3.110 6.346 6.401 1.00 0.00 C ATOM 932 C GLU A 139 3.113 4.869 6.765 1.00 0.00 C ATOM 933 O GLU A 139 4.013 4.119 6.354 1.00 0.00 O ATOM 934 CB GLU A 139 3.127 7.200 7.667 1.00 0.00 C ATOM 935 CG GLU A 139 3.401 8.649 7.275 1.00 0.00 C ATOM 936 CD GLU A 139 3.356 9.555 8.498 1.00 0.00 C ATOM 937 OE1 GLU A 139 3.153 9.044 9.587 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.526 10.751 8.326 1.00 0.00 O ATOM 0 H GLU A 139 1.346 7.409 5.961 1.00 0.00 H new ATOM 0 HA GLU A 139 4.008 6.559 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.172 7.123 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.894 6.843 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.378 8.723 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.663 8.979 6.544 1.00 0.00 H new ATOM 945 N GLU A 140 2.118 4.469 7.572 1.00 0.00 N ATOM 946 CA GLU A 140 2.000 3.074 8.034 1.00 0.00 C ATOM 947 C GLU A 140 2.509 2.137 6.945 1.00 0.00 C ATOM 948 O GLU A 140 3.096 1.091 7.219 1.00 0.00 O ATOM 949 CB GLU A 140 0.537 2.722 8.337 1.00 0.00 C ATOM 950 CG GLU A 140 0.043 3.494 9.554 1.00 0.00 C ATOM 951 CD GLU A 140 -1.453 3.262 9.764 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.012 2.428 9.063 1.00 0.00 O ATOM 953 OE2 GLU A 140 -2.017 3.923 10.623 1.00 0.00 O ATOM 0 H GLU A 140 1.385 5.088 7.918 1.00 0.00 H new ATOM 0 HA GLU A 140 2.590 2.962 8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.086 2.956 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.444 1.651 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.594 3.179 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.237 4.558 9.420 1.00 0.00 H new ATOM 960 N PHE A 141 2.300 2.566 5.698 1.00 0.00 N ATOM 961 CA PHE A 141 2.749 1.811 4.536 1.00 0.00 C ATOM 962 C PHE A 141 4.227 2.099 4.249 1.00 0.00 C ATOM 963 O PHE A 141 5.023 1.189 4.115 1.00 0.00 O ATOM 964 CB PHE A 141 1.901 2.200 3.310 1.00 0.00 C ATOM 965 CG PHE A 141 1.845 1.037 2.347 1.00 0.00 C ATOM 966 CD1 PHE A 141 3.016 0.577 1.724 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.624 0.404 2.092 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.956 -0.516 0.849 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.567 -0.679 1.217 1.00 0.00 C ATOM 970 CZ PHE A 141 1.730 -1.145 0.596 1.00 0.00 C ATOM 0 H PHE A 141 1.820 3.437 5.471 1.00 0.00 H new ATOM 0 HA PHE A 141 2.632 0.747 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.894 2.475 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.332 3.073 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.960 1.064 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.276 0.755 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.855 -0.874 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.379 -1.160 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.683 -1.988 -0.077 1.00 0.00 H new ATOM 980 N VAL A 142 4.566 3.384 4.116 1.00 0.00 N ATOM 981 CA VAL A 142 5.952 3.782 3.808 1.00 0.00 C ATOM 982 C VAL A 142 6.936 2.875 4.555 1.00 0.00 C ATOM 983 O VAL A 142 7.745 2.179 3.939 1.00 0.00 O ATOM 984 CB VAL A 142 6.197 5.246 4.216 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.697 5.578 4.145 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.422 6.185 3.280 1.00 0.00 C ATOM 0 H VAL A 142 3.913 4.161 4.214 1.00 0.00 H new ATOM 0 HA VAL A 142 6.107 3.682 2.734 1.00 0.00 H new ATOM 0 HB VAL A 142 5.850 5.384 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.854 6.617 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.247 4.924 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.055 5.429 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.599 7.220 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.759 6.036 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.356 5.967 3.347 1.00 0.00 H new ATOM 996 N GLN A 143 6.865 2.903 5.884 1.00 0.00 N ATOM 997 CA GLN A 143 7.755 2.091 6.716 1.00 0.00 C ATOM 998 C GLN A 143 7.889 0.668 6.158 1.00 0.00 C ATOM 999 O GLN A 143 8.811 -0.067 6.511 1.00 0.00 O ATOM 1000 CB GLN A 143 7.205 2.043 8.149 1.00 0.00 C ATOM 1001 CG GLN A 143 8.194 1.322 9.067 1.00 0.00 C ATOM 1002 CD GLN A 143 7.704 1.388 10.510 1.00 0.00 C ATOM 1003 OE1 GLN A 143 6.528 1.148 10.784 1.00 0.00 O ATOM 1004 NE2 GLN A 143 8.546 1.702 11.457 1.00 0.00 N ATOM 0 H GLN A 143 6.204 3.476 6.408 1.00 0.00 H new ATOM 0 HA GLN A 143 8.745 2.546 6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 143 7.030 3.055 8.514 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.244 1.529 8.161 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.300 0.282 8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.179 1.781 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 143 9.520 1.901 11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.230 1.749 12.426 1.00 0.00 H new ATOM 1013 N MET A 144 6.965 0.304 5.266 1.00 0.00 N ATOM 1014 CA MET A 144 6.964 -1.021 4.628 1.00 0.00 C ATOM 1015 C MET A 144 7.608 -0.970 3.239 1.00 0.00 C ATOM 1016 O MET A 144 8.488 -1.771 2.932 1.00 0.00 O ATOM 1017 CB MET A 144 5.527 -1.548 4.503 1.00 0.00 C ATOM 1018 CG MET A 144 5.520 -3.050 4.193 1.00 0.00 C ATOM 1019 SD MET A 144 3.919 -3.733 4.680 1.00 0.00 S ATOM 1020 CE MET A 144 4.413 -4.316 6.320 1.00 0.00 C ATOM 0 H MET A 144 6.202 0.910 4.966 1.00 0.00 H new ATOM 0 HA MET A 144 7.548 -1.692 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.985 -1.361 5.430 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.004 -1.007 3.714 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.695 -3.218 3.130 1.00 0.00 H new ATOM 0 HG3 MET A 144 6.324 -3.551 4.731 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.526 -4.469 6.934 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.954 -5.257 6.224 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.057 -3.574 6.791 1.00 0.00 H new ATOM 1030 N MET A 145 7.155 -0.040 2.396 1.00 0.00 N ATOM 1031 CA MET A 145 7.698 0.071 1.044 1.00 0.00 C ATOM 1032 C MET A 145 9.219 0.212 1.077 1.00 0.00 C ATOM 1033 O MET A 145 9.765 0.991 1.858 1.00 0.00 O ATOM 1034 CB MET A 145 7.079 1.277 0.327 1.00 0.00 C ATOM 1035 CG MET A 145 7.681 1.425 -1.078 1.00 0.00 C ATOM 1036 SD MET A 145 6.552 2.388 -2.122 1.00 0.00 S ATOM 1037 CE MET A 145 6.924 4.028 -1.452 1.00 0.00 C ATOM 0 H MET A 145 6.425 0.636 2.622 1.00 0.00 H new ATOM 0 HA MET A 145 7.448 -0.840 0.500 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.998 1.152 0.256 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.258 2.184 0.905 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.650 1.920 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.851 0.442 -1.518 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.323 4.777 -1.968 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.692 4.047 -0.387 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.982 4.249 -1.597 1.00 0.00 H new