USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=8 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+ 157:sc= -0.217 (180deg=-1.27!) USER MOD Single : A 97 ASN : amide:sc= -1.97 X(o=-2,f=-2.2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.416 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.4!) USER MOD Single : A 115 LYS NZ :NH3+ -110:sc= 0.587 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -76:sc= -4.18! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0161 X(o=-0.016,f=0.051) USER MOD Single : A 137 ASN : amide:sc= -0.595 X(o=-0.6,f=-1!) USER MOD Single : A 138 TYR OH : rot -15:sc= -0.752 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 167:sc= -0.0076 (180deg=-0.455) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.616 14.465 0.292 1.00 0.00 N ATOM 53 CA GLU A 82 6.490 13.771 0.909 1.00 0.00 C ATOM 54 C GLU A 82 5.286 13.759 -0.033 1.00 0.00 C ATOM 55 O GLU A 82 4.348 12.979 0.143 1.00 0.00 O ATOM 56 CB GLU A 82 6.121 14.477 2.220 1.00 0.00 C ATOM 57 CG GLU A 82 5.037 13.691 2.963 1.00 0.00 C ATOM 58 CD GLU A 82 4.731 14.368 4.295 1.00 0.00 C ATOM 59 OE1 GLU A 82 4.549 15.575 4.295 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.686 13.671 5.295 1.00 0.00 O ATOM 0 HA GLU A 82 6.775 12.739 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.005 14.574 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.768 15.486 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.133 13.637 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.369 12.667 3.133 1.00 0.00 H new ATOM 67 N GLU A 83 5.318 14.639 -1.033 1.00 0.00 N ATOM 68 CA GLU A 83 4.224 14.735 -1.992 1.00 0.00 C ATOM 69 C GLU A 83 4.089 13.450 -2.810 1.00 0.00 C ATOM 70 O GLU A 83 2.991 12.906 -2.933 1.00 0.00 O ATOM 71 CB GLU A 83 4.459 15.928 -2.921 1.00 0.00 C ATOM 72 CG GLU A 83 3.216 16.170 -3.782 1.00 0.00 C ATOM 73 CD GLU A 83 2.067 16.683 -2.915 1.00 0.00 C ATOM 74 OE1 GLU A 83 2.310 16.986 -1.758 1.00 0.00 O ATOM 75 OE2 GLU A 83 0.962 16.770 -3.425 1.00 0.00 O ATOM 0 H GLU A 83 6.085 15.291 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 83 3.295 14.879 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.685 16.818 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.323 15.739 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.442 16.894 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.922 15.245 -4.278 1.00 0.00 H new ATOM 82 N GLU A 84 5.196 12.963 -3.378 1.00 0.00 N ATOM 83 CA GLU A 84 5.131 11.743 -4.181 1.00 0.00 C ATOM 84 C GLU A 84 4.384 10.673 -3.403 1.00 0.00 C ATOM 85 O GLU A 84 3.511 10.001 -3.943 1.00 0.00 O ATOM 86 CB GLU A 84 6.529 11.232 -4.542 1.00 0.00 C ATOM 87 CG GLU A 84 6.405 9.991 -5.438 1.00 0.00 C ATOM 88 CD GLU A 84 7.790 9.482 -5.817 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.741 10.221 -5.630 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.877 8.360 -6.286 1.00 0.00 O ATOM 0 H GLU A 84 6.123 13.382 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 84 4.608 11.972 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.091 12.011 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.083 10.986 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.851 9.210 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.840 10.236 -6.337 1.00 0.00 H new ATOM 97 N ILE A 85 4.736 10.511 -2.136 1.00 0.00 N ATOM 98 CA ILE A 85 4.086 9.516 -1.301 1.00 0.00 C ATOM 99 C ILE A 85 2.589 9.783 -1.271 1.00 0.00 C ATOM 100 O ILE A 85 1.772 8.883 -1.457 1.00 0.00 O ATOM 101 CB ILE A 85 4.651 9.621 0.119 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.167 9.411 0.084 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.010 8.574 1.027 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.747 9.668 1.475 1.00 0.00 C ATOM 0 H ILE A 85 5.463 11.052 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 85 4.266 8.518 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 85 4.427 10.612 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.397 8.395 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.622 10.085 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.423 8.662 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.932 8.733 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.217 7.578 0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.827 9.519 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.528 10.692 1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.300 8.976 2.189 1.00 0.00 H new ATOM 116 N ARG A 86 2.242 11.035 -1.031 1.00 0.00 N ATOM 117 CA ARG A 86 0.843 11.422 -0.967 1.00 0.00 C ATOM 118 C ARG A 86 0.134 11.113 -2.286 1.00 0.00 C ATOM 119 O ARG A 86 -1.009 10.656 -2.297 1.00 0.00 O ATOM 120 CB ARG A 86 0.729 12.917 -0.648 1.00 0.00 C ATOM 121 CG ARG A 86 1.139 13.166 0.808 1.00 0.00 C ATOM 122 CD ARG A 86 1.146 14.673 1.092 1.00 0.00 C ATOM 123 NE ARG A 86 -0.183 15.235 0.867 1.00 0.00 N ATOM 124 CZ ARG A 86 -1.122 15.194 1.807 1.00 0.00 C ATOM 125 NH1 ARG A 86 -0.862 14.660 2.965 1.00 0.00 N ATOM 126 NH2 ARG A 86 -2.303 15.692 1.567 1.00 0.00 N ATOM 0 H ARG A 86 2.903 11.796 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 86 0.362 10.848 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.367 13.492 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.294 13.257 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.446 12.662 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.128 12.746 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.456 14.855 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.872 15.168 0.448 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.395 15.669 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.063 14.273 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.583 14.629 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.505 16.112 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.025 15.662 2.287 1.00 0.00 H new ATOM 140 N GLU A 87 0.823 11.345 -3.396 1.00 0.00 N ATOM 141 CA GLU A 87 0.244 11.080 -4.709 1.00 0.00 C ATOM 142 C GLU A 87 0.241 9.586 -5.025 1.00 0.00 C ATOM 143 O GLU A 87 -0.811 8.979 -5.226 1.00 0.00 O ATOM 144 CB GLU A 87 1.048 11.813 -5.783 1.00 0.00 C ATOM 145 CG GLU A 87 0.911 13.325 -5.591 1.00 0.00 C ATOM 146 CD GLU A 87 -0.528 13.760 -5.843 1.00 0.00 C ATOM 147 OE1 GLU A 87 -1.053 13.422 -6.891 1.00 0.00 O ATOM 148 OE2 GLU A 87 -1.085 14.420 -4.981 1.00 0.00 O ATOM 0 H GLU A 87 1.774 11.713 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.786 11.435 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.097 11.523 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.693 11.529 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.209 13.599 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.581 13.848 -6.273 1.00 0.00 H new ATOM 155 N ALA A 88 1.438 9.017 -5.101 1.00 0.00 N ATOM 156 CA ALA A 88 1.595 7.603 -5.432 1.00 0.00 C ATOM 157 C ALA A 88 0.524 6.768 -4.740 1.00 0.00 C ATOM 158 O ALA A 88 -0.197 6.007 -5.388 1.00 0.00 O ATOM 159 CB ALA A 88 2.978 7.106 -5.011 1.00 0.00 C ATOM 0 H ALA A 88 2.315 9.512 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 88 1.488 7.496 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.078 6.051 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.745 7.679 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.098 7.233 -3.935 1.00 0.00 H new ATOM 165 N PHE A 89 0.424 6.914 -3.427 1.00 0.00 N ATOM 166 CA PHE A 89 -0.563 6.166 -2.667 1.00 0.00 C ATOM 167 C PHE A 89 -1.988 6.570 -3.054 1.00 0.00 C ATOM 168 O PHE A 89 -2.852 5.711 -3.227 1.00 0.00 O ATOM 169 CB PHE A 89 -0.323 6.374 -1.168 1.00 0.00 C ATOM 170 CG PHE A 89 0.754 5.414 -0.701 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.506 4.036 -0.719 1.00 0.00 C ATOM 172 CD2 PHE A 89 1.993 5.895 -0.270 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.499 3.142 -0.305 1.00 0.00 C ATOM 174 CE2 PHE A 89 2.981 4.999 0.148 1.00 0.00 C ATOM 175 CZ PHE A 89 2.736 3.628 0.128 1.00 0.00 C ATOM 0 H PHE A 89 1.009 7.538 -2.871 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.453 5.107 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.019 7.403 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.245 6.204 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.451 3.664 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.187 6.957 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.310 2.079 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.937 5.371 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.504 2.939 0.448 1.00 0.00 H new ATOM 185 N ARG A 90 -2.235 7.874 -3.194 1.00 0.00 N ATOM 186 CA ARG A 90 -3.571 8.334 -3.564 1.00 0.00 C ATOM 187 C ARG A 90 -4.025 7.641 -4.845 1.00 0.00 C ATOM 188 O ARG A 90 -5.157 7.166 -4.940 1.00 0.00 O ATOM 189 CB ARG A 90 -3.568 9.857 -3.769 1.00 0.00 C ATOM 190 CG ARG A 90 -3.670 10.582 -2.412 1.00 0.00 C ATOM 191 CD ARG A 90 -5.138 10.708 -1.986 1.00 0.00 C ATOM 192 NE ARG A 90 -5.251 11.546 -0.794 1.00 0.00 N ATOM 193 CZ ARG A 90 -5.351 12.867 -0.885 1.00 0.00 C ATOM 194 NH1 ARG A 90 -5.355 13.445 -2.052 1.00 0.00 N ATOM 195 NH2 ARG A 90 -5.450 13.588 0.196 1.00 0.00 N ATOM 0 H ARG A 90 -1.545 8.613 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.263 8.086 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.655 10.159 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.403 10.146 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.110 10.032 -1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.219 11.572 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.724 11.139 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.551 9.720 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.253 11.107 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.281 12.883 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.432 14.460 -2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.451 13.138 1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.527 14.603 0.127 1.00 0.00 H new ATOM 209 N VAL A 91 -3.131 7.585 -5.821 1.00 0.00 N ATOM 210 CA VAL A 91 -3.434 6.947 -7.095 1.00 0.00 C ATOM 211 C VAL A 91 -3.687 5.452 -6.904 1.00 0.00 C ATOM 212 O VAL A 91 -4.587 4.880 -7.521 1.00 0.00 O ATOM 213 CB VAL A 91 -2.270 7.148 -8.067 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.547 6.385 -9.363 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.114 8.639 -8.376 1.00 0.00 C ATOM 0 H VAL A 91 -2.190 7.973 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.335 7.405 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.352 6.772 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.717 6.529 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.656 5.323 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.465 6.758 -9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.285 8.782 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.032 9.015 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.914 9.183 -7.453 1.00 0.00 H new ATOM 225 N PHE A 92 -2.870 4.826 -6.063 1.00 0.00 N ATOM 226 CA PHE A 92 -2.997 3.389 -5.816 1.00 0.00 C ATOM 227 C PHE A 92 -4.402 3.059 -5.338 1.00 0.00 C ATOM 228 O PHE A 92 -5.053 2.172 -5.887 1.00 0.00 O ATOM 229 CB PHE A 92 -1.964 2.946 -4.764 1.00 0.00 C ATOM 230 CG PHE A 92 -0.654 2.574 -5.434 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.170 3.324 -6.519 1.00 0.00 C ATOM 232 CD2 PHE A 92 0.073 1.472 -4.971 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.037 2.967 -7.133 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.279 1.117 -5.584 1.00 0.00 C ATOM 235 CZ PHE A 92 1.761 1.864 -6.666 1.00 0.00 C ATOM 0 H PHE A 92 -2.120 5.283 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.810 2.853 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.798 3.750 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.348 2.094 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.728 4.175 -6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.298 0.894 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.409 3.543 -7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.839 0.267 -5.223 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.692 1.589 -7.140 1.00 0.00 H new ATOM 245 N ASP A 93 -4.864 3.760 -4.311 1.00 0.00 N ATOM 246 CA ASP A 93 -6.198 3.503 -3.794 1.00 0.00 C ATOM 247 C ASP A 93 -7.215 3.649 -4.921 1.00 0.00 C ATOM 248 O ASP A 93 -7.794 4.718 -5.115 1.00 0.00 O ATOM 249 CB ASP A 93 -6.520 4.476 -2.654 1.00 0.00 C ATOM 250 CG ASP A 93 -7.748 3.994 -1.888 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.626 3.422 -2.515 1.00 0.00 O ATOM 252 OD2 ASP A 93 -7.793 4.194 -0.684 1.00 0.00 O ATOM 0 H ASP A 93 -4.347 4.495 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.244 2.487 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.667 4.553 -1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.700 5.473 -3.056 1.00 0.00 H new ATOM 257 N LYS A 94 -7.410 2.563 -5.669 1.00 0.00 N ATOM 258 CA LYS A 94 -8.345 2.574 -6.792 1.00 0.00 C ATOM 259 C LYS A 94 -9.708 3.090 -6.337 1.00 0.00 C ATOM 260 O LYS A 94 -10.247 4.032 -6.920 1.00 0.00 O ATOM 261 CB LYS A 94 -8.483 1.141 -7.373 1.00 0.00 C ATOM 262 CG LYS A 94 -7.797 1.031 -8.744 1.00 0.00 C ATOM 263 CD LYS A 94 -6.274 1.038 -8.582 1.00 0.00 C ATOM 264 CE LYS A 94 -5.632 1.087 -9.969 1.00 0.00 C ATOM 265 NZ LYS A 94 -6.121 2.296 -10.693 1.00 0.00 N ATOM 0 H LYS A 94 -6.937 1.672 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.962 3.238 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.042 0.422 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.538 0.884 -7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.112 0.114 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.105 1.861 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.961 1.898 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.947 0.147 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.546 1.116 -9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.881 0.187 -10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.439 2.557 -11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.043 2.091 -11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.223 3.085 -10.023 1.00 0.00 H new ATOM 279 N ASP A 95 -10.260 2.458 -5.312 1.00 0.00 N ATOM 280 CA ASP A 95 -11.564 2.849 -4.800 1.00 0.00 C ATOM 281 C ASP A 95 -11.447 4.107 -3.951 1.00 0.00 C ATOM 282 O ASP A 95 -12.388 4.482 -3.254 1.00 0.00 O ATOM 283 CB ASP A 95 -12.149 1.709 -3.965 1.00 0.00 C ATOM 284 CG ASP A 95 -12.535 0.546 -4.876 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.628 0.764 -6.072 1.00 0.00 O ATOM 286 OD2 ASP A 95 -12.724 -0.544 -4.363 1.00 0.00 O ATOM 0 H ASP A 95 -9.827 1.676 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.225 3.059 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.421 1.377 -3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.024 2.059 -3.417 1.00 0.00 H new ATOM 291 N GLY A 96 -10.282 4.757 -4.043 1.00 0.00 N ATOM 292 CA GLY A 96 -10.014 5.996 -3.304 1.00 0.00 C ATOM 293 C GLY A 96 -10.825 6.076 -2.011 1.00 0.00 C ATOM 294 O GLY A 96 -11.463 7.090 -1.727 1.00 0.00 O ATOM 0 H GLY A 96 -9.505 4.444 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.951 6.056 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.251 6.853 -3.934 1.00 0.00 H new ATOM 298 N ASN A 97 -10.802 4.997 -1.238 1.00 0.00 N ATOM 299 CA ASN A 97 -11.549 4.952 0.013 1.00 0.00 C ATOM 300 C ASN A 97 -10.887 5.823 1.081 1.00 0.00 C ATOM 301 O ASN A 97 -11.476 6.080 2.131 1.00 0.00 O ATOM 302 CB ASN A 97 -11.653 3.508 0.511 1.00 0.00 C ATOM 303 CG ASN A 97 -12.269 2.620 -0.570 1.00 0.00 C ATOM 304 OD1 ASN A 97 -11.705 1.580 -0.914 1.00 0.00 O ATOM 305 ND2 ASN A 97 -13.400 2.966 -1.120 1.00 0.00 N ATOM 0 H ASN A 97 -10.279 4.148 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.549 5.342 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.664 3.136 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.262 3.470 1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.820 2.375 -1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.864 3.828 -0.833 1.00 0.00 H new ATOM 312 N GLY A 98 -9.660 6.279 0.811 1.00 0.00 N ATOM 313 CA GLY A 98 -8.929 7.130 1.763 1.00 0.00 C ATOM 314 C GLY A 98 -7.800 6.357 2.441 1.00 0.00 C ATOM 315 O GLY A 98 -6.851 6.951 2.952 1.00 0.00 O ATOM 0 H GLY A 98 -9.153 6.077 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.519 7.995 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.617 7.510 2.518 1.00 0.00 H new ATOM 319 N TYR A 99 -7.906 5.031 2.433 1.00 0.00 N ATOM 320 CA TYR A 99 -6.882 4.177 3.044 1.00 0.00 C ATOM 321 C TYR A 99 -6.554 3.021 2.101 1.00 0.00 C ATOM 322 O TYR A 99 -7.405 2.589 1.328 1.00 0.00 O ATOM 323 CB TYR A 99 -7.384 3.653 4.388 1.00 0.00 C ATOM 324 CG TYR A 99 -7.858 4.819 5.225 1.00 0.00 C ATOM 325 CD1 TYR A 99 -9.146 5.334 5.033 1.00 0.00 C ATOM 326 CD2 TYR A 99 -7.015 5.389 6.188 1.00 0.00 C ATOM 327 CE1 TYR A 99 -9.592 6.415 5.802 1.00 0.00 C ATOM 328 CE2 TYR A 99 -7.462 6.472 6.958 1.00 0.00 C ATOM 329 CZ TYR A 99 -8.749 6.984 6.765 1.00 0.00 C ATOM 330 OH TYR A 99 -9.189 8.050 7.523 1.00 0.00 O ATOM 0 H TYR A 99 -8.685 4.523 2.014 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.974 4.756 3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.198 2.944 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -6.587 3.118 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -9.796 4.896 4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.021 4.994 6.337 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.586 6.810 5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.812 6.911 7.701 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.482 8.324 8.144 1.00 0.00 H new ATOM 340 N ILE A 100 -5.306 2.555 2.131 1.00 0.00 N ATOM 341 CA ILE A 100 -4.884 1.482 1.224 1.00 0.00 C ATOM 342 C ILE A 100 -5.298 0.095 1.716 1.00 0.00 C ATOM 343 O ILE A 100 -5.097 -0.245 2.886 1.00 0.00 O ATOM 344 CB ILE A 100 -3.360 1.502 1.064 1.00 0.00 C ATOM 345 CG1 ILE A 100 -2.874 2.947 0.884 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.953 0.671 -0.164 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.582 3.604 -0.305 1.00 0.00 C ATOM 0 H ILE A 100 -4.579 2.895 2.761 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.381 1.667 0.272 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.905 1.075 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.068 3.518 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.796 2.958 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.869 0.689 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.288 -0.358 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.414 1.092 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.227 4.628 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.366 3.041 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.658 3.611 -0.129 1.00 0.00 H new ATOM 359 N SER A 101 -5.856 -0.702 0.794 1.00 0.00 N ATOM 360 CA SER A 101 -6.285 -2.069 1.091 1.00 0.00 C ATOM 361 C SER A 101 -5.334 -3.078 0.444 1.00 0.00 C ATOM 362 O SER A 101 -4.542 -2.733 -0.431 1.00 0.00 O ATOM 363 CB SER A 101 -7.695 -2.303 0.551 1.00 0.00 C ATOM 364 OG SER A 101 -7.876 -3.692 0.308 1.00 0.00 O ATOM 0 H SER A 101 -6.020 -0.416 -0.171 1.00 0.00 H new ATOM 0 HA SER A 101 -6.276 -2.203 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.436 -1.947 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.844 -1.738 -0.369 1.00 0.00 H new ATOM 0 HG SER A 101 -8.780 -3.849 -0.037 1.00 0.00 H new ATOM 370 N ALA A 102 -5.423 -4.320 0.899 1.00 0.00 N ATOM 371 CA ALA A 102 -4.575 -5.397 0.390 1.00 0.00 C ATOM 372 C ALA A 102 -4.923 -5.791 -1.044 1.00 0.00 C ATOM 373 O ALA A 102 -4.038 -6.130 -1.831 1.00 0.00 O ATOM 374 CB ALA A 102 -4.704 -6.612 1.313 1.00 0.00 C ATOM 0 H ALA A 102 -6.078 -4.611 1.625 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.547 -5.034 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.075 -7.420 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.387 -6.340 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.742 -6.942 1.337 1.00 0.00 H new ATOM 380 N ALA A 103 -6.203 -5.777 -1.375 1.00 0.00 N ATOM 381 CA ALA A 103 -6.632 -6.165 -2.710 1.00 0.00 C ATOM 382 C ALA A 103 -6.057 -5.233 -3.769 1.00 0.00 C ATOM 383 O ALA A 103 -5.757 -5.652 -4.890 1.00 0.00 O ATOM 384 CB ALA A 103 -8.160 -6.147 -2.785 1.00 0.00 C ATOM 0 H ALA A 103 -6.958 -5.504 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.263 -7.172 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.479 -6.438 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.568 -6.847 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.523 -5.143 -2.566 1.00 0.00 H new ATOM 390 N GLU A 104 -5.927 -3.963 -3.423 1.00 0.00 N ATOM 391 CA GLU A 104 -5.414 -2.982 -4.362 1.00 0.00 C ATOM 392 C GLU A 104 -3.958 -3.256 -4.711 1.00 0.00 C ATOM 393 O GLU A 104 -3.534 -3.023 -5.844 1.00 0.00 O ATOM 394 CB GLU A 104 -5.529 -1.583 -3.753 1.00 0.00 C ATOM 395 CG GLU A 104 -6.982 -1.315 -3.368 1.00 0.00 C ATOM 396 CD GLU A 104 -7.105 0.078 -2.765 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.252 0.435 -1.968 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.049 0.771 -3.109 1.00 0.00 O ATOM 0 H GLU A 104 -6.168 -3.590 -2.505 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.005 -3.048 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.888 -1.503 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.187 -0.834 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.622 -1.399 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.322 -2.063 -2.652 1.00 0.00 H new ATOM 405 N LEU A 105 -3.189 -3.735 -3.735 1.00 0.00 N ATOM 406 CA LEU A 105 -1.775 -4.002 -3.974 1.00 0.00 C ATOM 407 C LEU A 105 -1.577 -5.144 -4.963 1.00 0.00 C ATOM 408 O LEU A 105 -0.816 -5.018 -5.917 1.00 0.00 O ATOM 409 CB LEU A 105 -1.080 -4.360 -2.666 1.00 0.00 C ATOM 410 CG LEU A 105 -1.439 -3.344 -1.583 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.609 -3.640 -0.331 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.147 -1.924 -2.076 1.00 0.00 C ATOM 0 H LEU A 105 -3.514 -3.942 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.341 -3.095 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.377 -5.360 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.000 -4.380 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.501 -3.420 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.858 -2.920 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.829 -4.648 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.451 -3.563 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.406 -1.208 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.087 -1.832 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.739 -1.720 -2.968 1.00 0.00 H new ATOM 424 N ARG A 106 -2.235 -6.274 -4.722 1.00 0.00 N ATOM 425 CA ARG A 106 -2.072 -7.420 -5.602 1.00 0.00 C ATOM 426 C ARG A 106 -2.541 -7.096 -7.012 1.00 0.00 C ATOM 427 O ARG A 106 -1.877 -7.451 -7.987 1.00 0.00 O ATOM 428 CB ARG A 106 -2.826 -8.628 -5.037 1.00 0.00 C ATOM 429 CG ARG A 106 -4.302 -8.276 -4.867 1.00 0.00 C ATOM 430 CD ARG A 106 -5.042 -9.435 -4.203 1.00 0.00 C ATOM 431 NE ARG A 106 -6.476 -9.162 -4.185 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.329 -9.999 -3.608 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.889 -11.080 -3.035 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.606 -9.734 -3.613 1.00 0.00 N ATOM 0 H ARG A 106 -2.874 -6.418 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.012 -7.667 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.720 -9.481 -5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.399 -8.920 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.402 -7.375 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.747 -8.058 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.846 -10.361 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.677 -9.576 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.829 -8.312 -4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.890 -11.284 -3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.543 -11.724 -2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.949 -8.884 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.262 -10.377 -3.170 1.00 0.00 H new ATOM 448 N HIS A 107 -3.692 -6.446 -7.132 1.00 0.00 N ATOM 449 CA HIS A 107 -4.231 -6.119 -8.442 1.00 0.00 C ATOM 450 C HIS A 107 -3.270 -5.260 -9.251 1.00 0.00 C ATOM 451 O HIS A 107 -2.874 -5.639 -10.356 1.00 0.00 O ATOM 452 CB HIS A 107 -5.561 -5.375 -8.267 1.00 0.00 C ATOM 453 CG HIS A 107 -6.055 -4.890 -9.598 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.212 -5.738 -10.681 1.00 0.00 N ATOM 455 CD2 HIS A 107 -6.436 -3.645 -10.035 1.00 0.00 C ATOM 456 CE1 HIS A 107 -6.673 -5.000 -11.710 1.00 0.00 C ATOM 457 NE2 HIS A 107 -6.827 -3.719 -11.369 1.00 0.00 N ATOM 0 H HIS A 107 -4.264 -6.138 -6.345 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.384 -7.050 -8.988 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.300 -6.036 -7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.429 -4.532 -7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.433 -2.747 -9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.891 -5.397 -12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -7.160 -2.957 -11.960 1.00 0.00 H new ATOM 466 N VAL A 108 -2.910 -4.098 -8.721 1.00 0.00 N ATOM 467 CA VAL A 108 -2.023 -3.207 -9.444 1.00 0.00 C ATOM 468 C VAL A 108 -0.648 -3.835 -9.627 1.00 0.00 C ATOM 469 O VAL A 108 0.017 -3.597 -10.630 1.00 0.00 O ATOM 470 CB VAL A 108 -1.905 -1.864 -8.718 1.00 0.00 C ATOM 471 CG1 VAL A 108 -3.307 -1.300 -8.457 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.164 -2.049 -7.388 1.00 0.00 C ATOM 0 H VAL A 108 -3.214 -3.758 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.450 -3.034 -10.432 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.343 -1.168 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.224 -0.344 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.824 -1.156 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.871 -1.999 -7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.085 -1.088 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.714 -2.749 -6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.165 -2.441 -7.579 1.00 0.00 H new ATOM 482 N MET A 109 -0.221 -4.637 -8.655 1.00 0.00 N ATOM 483 CA MET A 109 1.090 -5.276 -8.743 1.00 0.00 C ATOM 484 C MET A 109 1.176 -6.147 -9.997 1.00 0.00 C ATOM 485 O MET A 109 2.086 -5.988 -10.815 1.00 0.00 O ATOM 486 CB MET A 109 1.327 -6.139 -7.488 1.00 0.00 C ATOM 487 CG MET A 109 1.853 -5.269 -6.338 1.00 0.00 C ATOM 488 SD MET A 109 3.634 -5.014 -6.533 1.00 0.00 S ATOM 489 CE MET A 109 3.861 -3.949 -5.087 1.00 0.00 C ATOM 0 H MET A 109 -0.752 -4.857 -7.812 1.00 0.00 H new ATOM 0 HA MET A 109 1.857 -4.504 -8.804 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.397 -6.624 -7.191 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.042 -6.930 -7.712 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.337 -4.309 -6.330 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.647 -5.750 -5.382 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.910 -3.662 -5.007 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.247 -3.055 -5.194 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.563 -4.488 -4.188 1.00 0.00 H new ATOM 499 N THR A 110 0.221 -7.055 -10.150 1.00 0.00 N ATOM 500 CA THR A 110 0.200 -7.933 -11.312 1.00 0.00 C ATOM 501 C THR A 110 0.000 -7.116 -12.585 1.00 0.00 C ATOM 502 O THR A 110 0.656 -7.346 -13.602 1.00 0.00 O ATOM 503 CB THR A 110 -0.917 -8.966 -11.165 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.650 -9.785 -10.034 1.00 0.00 O ATOM 505 CG2 THR A 110 -0.978 -9.836 -12.417 1.00 0.00 C ATOM 0 H THR A 110 -0.543 -7.202 -9.490 1.00 0.00 H new ATOM 0 HA THR A 110 1.155 -8.454 -11.379 1.00 0.00 H new ATOM 0 HB THR A 110 -1.871 -8.455 -11.033 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.365 -10.448 -9.934 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.775 -10.572 -12.310 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.177 -9.209 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.026 -10.349 -12.550 1.00 0.00 H new ATOM 513 N ASN A 111 -0.914 -6.154 -12.504 1.00 0.00 N ATOM 514 CA ASN A 111 -1.216 -5.283 -13.634 1.00 0.00 C ATOM 515 C ASN A 111 0.025 -4.499 -14.033 1.00 0.00 C ATOM 516 O ASN A 111 0.292 -4.293 -15.217 1.00 0.00 O ATOM 517 CB ASN A 111 -2.324 -4.307 -13.252 1.00 0.00 C ATOM 518 CG ASN A 111 -2.859 -3.606 -14.493 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.892 -4.192 -15.574 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.285 -2.377 -14.397 1.00 0.00 N ATOM 0 H ASN A 111 -1.460 -5.958 -11.665 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.542 -5.897 -14.473 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.131 -4.840 -12.750 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.942 -3.570 -12.546 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.648 -1.897 -15.221 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.255 -1.896 -13.498 1.00 0.00 H new ATOM 527 N LEU A 112 0.779 -4.067 -13.029 1.00 0.00 N ATOM 528 CA LEU A 112 1.992 -3.307 -13.268 1.00 0.00 C ATOM 529 C LEU A 112 2.973 -4.160 -14.061 1.00 0.00 C ATOM 530 O LEU A 112 3.657 -3.661 -14.954 1.00 0.00 O ATOM 531 CB LEU A 112 2.627 -2.880 -11.931 1.00 0.00 C ATOM 532 CG LEU A 112 1.926 -1.622 -11.372 1.00 0.00 C ATOM 533 CD1 LEU A 112 2.107 -1.565 -9.848 1.00 0.00 C ATOM 534 CD2 LEU A 112 2.547 -0.356 -11.982 1.00 0.00 C ATOM 0 H LEU A 112 0.569 -4.232 -12.044 1.00 0.00 H new ATOM 0 HA LEU A 112 1.747 -2.410 -13.837 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.553 -3.695 -11.211 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.688 -2.678 -12.075 1.00 0.00 H new ATOM 0 HG LEU A 112 0.867 -1.673 -11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.612 -0.677 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.668 -2.455 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.170 -1.523 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.045 0.525 -11.581 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.607 -0.315 -11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.429 -0.379 -13.065 1.00 0.00 H new ATOM 546 N GLY A 113 3.031 -5.455 -13.741 1.00 0.00 N ATOM 547 CA GLY A 113 3.933 -6.376 -14.442 1.00 0.00 C ATOM 548 C GLY A 113 4.663 -7.282 -13.459 1.00 0.00 C ATOM 549 O GLY A 113 5.423 -8.164 -13.859 1.00 0.00 O ATOM 0 H GLY A 113 2.470 -5.888 -13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.363 -6.982 -15.146 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.658 -5.807 -15.025 1.00 0.00 H new ATOM 553 N GLU A 114 4.423 -7.064 -12.168 1.00 0.00 N ATOM 554 CA GLU A 114 5.056 -7.868 -11.122 1.00 0.00 C ATOM 555 C GLU A 114 4.008 -8.701 -10.391 1.00 0.00 C ATOM 556 O GLU A 114 3.212 -8.171 -9.616 1.00 0.00 O ATOM 557 CB GLU A 114 5.764 -6.946 -10.129 1.00 0.00 C ATOM 558 CG GLU A 114 6.940 -6.262 -10.830 1.00 0.00 C ATOM 559 CD GLU A 114 7.612 -5.276 -9.883 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.147 -5.149 -8.763 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.583 -4.662 -10.292 1.00 0.00 O ATOM 0 H GLU A 114 3.796 -6.339 -11.820 1.00 0.00 H new ATOM 0 HA GLU A 114 5.783 -8.539 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.068 -6.199 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.119 -7.518 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.661 -7.010 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.589 -5.741 -11.721 1.00 0.00 H new ATOM 568 N LYS A 115 3.999 -10.004 -10.655 1.00 0.00 N ATOM 569 CA LYS A 115 3.028 -10.896 -10.025 1.00 0.00 C ATOM 570 C LYS A 115 3.519 -11.343 -8.648 1.00 0.00 C ATOM 571 O LYS A 115 4.216 -12.350 -8.518 1.00 0.00 O ATOM 572 CB LYS A 115 2.800 -12.119 -10.931 1.00 0.00 C ATOM 573 CG LYS A 115 1.386 -12.690 -10.738 1.00 0.00 C ATOM 574 CD LYS A 115 1.172 -13.080 -9.273 1.00 0.00 C ATOM 575 CE LYS A 115 -0.123 -13.882 -9.138 1.00 0.00 C ATOM 576 NZ LYS A 115 -0.304 -14.283 -7.715 1.00 0.00 N ATOM 0 H LYS A 115 4.647 -10.464 -11.295 1.00 0.00 H new ATOM 0 HA LYS A 115 2.088 -10.361 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.943 -11.835 -11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.540 -12.887 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.643 -11.951 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 115 1.246 -13.561 -11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 115 2.016 -13.671 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.124 -12.186 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.972 -13.284 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.086 -14.765 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.167 -15.310 -7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.393 -13.787 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.264 -14.033 -7.403 1.00 0.00 H new ATOM 590 N LEU A 116 3.135 -10.591 -7.623 1.00 0.00 N ATOM 591 CA LEU A 116 3.524 -10.916 -6.254 1.00 0.00 C ATOM 592 C LEU A 116 2.669 -12.068 -5.724 1.00 0.00 C ATOM 593 O LEU A 116 1.885 -12.664 -6.463 1.00 0.00 O ATOM 594 CB LEU A 116 3.348 -9.677 -5.353 1.00 0.00 C ATOM 595 CG LEU A 116 4.626 -8.827 -5.343 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.947 -8.344 -6.758 1.00 0.00 C ATOM 597 CD2 LEU A 116 4.414 -7.620 -4.424 1.00 0.00 C ATOM 0 H LEU A 116 2.557 -9.755 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 116 4.571 -11.220 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.510 -9.078 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.106 -9.991 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 116 5.459 -9.429 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.855 -7.742 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.095 -9.204 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.120 -7.741 -7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.317 -7.010 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.579 -7.024 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.195 -7.966 -3.414 1.00 0.00 H new ATOM 609 N THR A 117 2.818 -12.361 -4.435 1.00 0.00 N ATOM 610 CA THR A 117 2.050 -13.432 -3.798 1.00 0.00 C ATOM 611 C THR A 117 0.979 -12.840 -2.887 1.00 0.00 C ATOM 612 O THR A 117 1.278 -12.039 -2.002 1.00 0.00 O ATOM 613 CB THR A 117 2.980 -14.325 -2.972 1.00 0.00 C ATOM 614 OG1 THR A 117 3.799 -13.513 -2.144 1.00 0.00 O ATOM 615 CG2 THR A 117 3.862 -15.157 -3.902 1.00 0.00 C ATOM 0 H THR A 117 3.461 -11.874 -3.811 1.00 0.00 H new ATOM 0 HA THR A 117 1.573 -14.027 -4.576 1.00 0.00 H new ATOM 0 HB THR A 117 2.381 -14.994 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.506 -13.103 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.521 -15.790 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.234 -15.782 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.461 -14.493 -4.525 1.00 0.00 H new ATOM 623 N ASP A 118 -0.271 -13.223 -3.124 1.00 0.00 N ATOM 624 CA ASP A 118 -1.378 -12.704 -2.331 1.00 0.00 C ATOM 625 C ASP A 118 -1.161 -12.999 -0.855 1.00 0.00 C ATOM 626 O ASP A 118 -1.573 -12.227 0.012 1.00 0.00 O ATOM 627 CB ASP A 118 -2.692 -13.340 -2.791 1.00 0.00 C ATOM 628 CG ASP A 118 -3.095 -12.784 -4.152 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.521 -11.787 -4.557 1.00 0.00 O ATOM 630 OD2 ASP A 118 -3.972 -13.364 -4.769 1.00 0.00 O ATOM 0 H ASP A 118 -0.541 -13.885 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.427 -11.624 -2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.580 -14.423 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.477 -13.141 -2.061 1.00 0.00 H new ATOM 635 N GLU A 119 -0.516 -14.118 -0.570 1.00 0.00 N ATOM 636 CA GLU A 119 -0.257 -14.501 0.808 1.00 0.00 C ATOM 637 C GLU A 119 0.677 -13.493 1.468 1.00 0.00 C ATOM 638 O GLU A 119 0.507 -13.147 2.640 1.00 0.00 O ATOM 639 CB GLU A 119 0.372 -15.890 0.840 1.00 0.00 C ATOM 640 CG GLU A 119 -0.625 -16.895 0.264 1.00 0.00 C ATOM 641 CD GLU A 119 -0.014 -18.291 0.246 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.090 -18.440 0.744 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.657 -19.191 -0.268 1.00 0.00 O ATOM 0 H GLU A 119 -0.164 -14.773 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.198 -14.517 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.295 -15.900 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.634 -16.162 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.537 -16.897 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.907 -16.600 -0.747 1.00 0.00 H new ATOM 650 N GLU A 120 1.641 -12.991 0.701 1.00 0.00 N ATOM 651 CA GLU A 120 2.565 -11.994 1.230 1.00 0.00 C ATOM 652 C GLU A 120 1.864 -10.650 1.344 1.00 0.00 C ATOM 653 O GLU A 120 1.945 -9.986 2.372 1.00 0.00 O ATOM 654 CB GLU A 120 3.792 -11.856 0.326 1.00 0.00 C ATOM 655 CG GLU A 120 4.640 -13.126 0.414 1.00 0.00 C ATOM 656 CD GLU A 120 5.823 -13.032 -0.543 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.961 -12.004 -1.185 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.576 -13.990 -0.620 1.00 0.00 O ATOM 0 H GLU A 120 1.801 -13.253 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 120 2.894 -12.321 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.480 -11.686 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.383 -10.991 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.998 -13.264 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.032 -13.997 0.169 1.00 0.00 H new ATOM 665 N VAL A 121 1.160 -10.269 0.281 1.00 0.00 N ATOM 666 CA VAL A 121 0.429 -9.009 0.278 1.00 0.00 C ATOM 667 C VAL A 121 -0.445 -8.941 1.519 1.00 0.00 C ATOM 668 O VAL A 121 -0.246 -8.105 2.398 1.00 0.00 O ATOM 669 CB VAL A 121 -0.441 -8.920 -0.982 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.369 -7.708 -0.898 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.459 -8.785 -2.212 1.00 0.00 C ATOM 0 H VAL A 121 1.082 -10.810 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 121 1.130 -8.175 0.281 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.044 -9.825 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.981 -7.656 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.015 -7.804 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.774 -6.799 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.157 -8.722 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.064 -7.883 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.113 -9.654 -2.282 1.00 0.00 H new ATOM 681 N ASP A 122 -1.421 -9.834 1.578 1.00 0.00 N ATOM 682 CA ASP A 122 -2.328 -9.875 2.712 1.00 0.00 C ATOM 683 C ASP A 122 -1.532 -9.828 4.014 1.00 0.00 C ATOM 684 O ASP A 122 -1.928 -9.158 4.968 1.00 0.00 O ATOM 685 CB ASP A 122 -3.178 -11.149 2.656 1.00 0.00 C ATOM 686 CG ASP A 122 -4.338 -11.042 3.637 1.00 0.00 C ATOM 687 OD1 ASP A 122 -5.149 -10.146 3.466 1.00 0.00 O ATOM 688 OD2 ASP A 122 -4.405 -11.861 4.540 1.00 0.00 O ATOM 0 H ASP A 122 -1.604 -10.535 0.859 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.990 -9.010 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.558 -11.299 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.565 -12.017 2.898 1.00 0.00 H new ATOM 693 N GLU A 123 -0.405 -10.538 4.047 1.00 0.00 N ATOM 694 CA GLU A 123 0.435 -10.557 5.243 1.00 0.00 C ATOM 695 C GLU A 123 1.110 -9.197 5.472 1.00 0.00 C ATOM 696 O GLU A 123 1.251 -8.750 6.611 1.00 0.00 O ATOM 697 CB GLU A 123 1.499 -11.648 5.117 1.00 0.00 C ATOM 698 CG GLU A 123 2.293 -11.737 6.423 1.00 0.00 C ATOM 699 CD GLU A 123 3.310 -12.869 6.337 1.00 0.00 C ATOM 700 OE1 GLU A 123 3.512 -13.377 5.246 1.00 0.00 O ATOM 701 OE2 GLU A 123 3.874 -13.211 7.364 1.00 0.00 O ATOM 0 H GLU A 123 -0.056 -11.100 3.271 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.204 -10.768 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.029 -12.607 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.168 -11.425 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.803 -10.793 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.615 -11.908 7.260 1.00 0.00 H new ATOM 708 N MET A 124 1.557 -8.562 4.384 1.00 0.00 N ATOM 709 CA MET A 124 2.251 -7.272 4.483 1.00 0.00 C ATOM 710 C MET A 124 1.437 -6.261 5.279 1.00 0.00 C ATOM 711 O MET A 124 1.883 -5.785 6.324 1.00 0.00 O ATOM 712 CB MET A 124 2.536 -6.694 3.085 1.00 0.00 C ATOM 713 CG MET A 124 3.734 -7.405 2.454 1.00 0.00 C ATOM 714 SD MET A 124 5.259 -6.703 3.124 1.00 0.00 S ATOM 715 CE MET A 124 6.391 -7.921 2.415 1.00 0.00 C ATOM 0 H MET A 124 1.453 -8.915 3.433 1.00 0.00 H new ATOM 0 HA MET A 124 3.192 -7.456 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.658 -6.811 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.736 -5.625 3.159 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.689 -8.474 2.662 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.711 -7.290 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.414 -7.680 2.705 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.134 -8.914 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.309 -7.905 1.328 1.00 0.00 H new ATOM 725 N ILE A 125 0.262 -5.909 4.770 1.00 0.00 N ATOM 726 CA ILE A 125 -0.578 -4.928 5.439 1.00 0.00 C ATOM 727 C ILE A 125 -0.922 -5.408 6.838 1.00 0.00 C ATOM 728 O ILE A 125 -0.909 -4.637 7.790 1.00 0.00 O ATOM 729 CB ILE A 125 -1.874 -4.698 4.627 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.581 -3.761 3.441 1.00 0.00 C ATOM 731 CG2 ILE A 125 -2.951 -4.073 5.530 1.00 0.00 C ATOM 732 CD1 ILE A 125 -2.843 -3.569 2.584 1.00 0.00 C ATOM 0 H ILE A 125 -0.126 -6.285 3.905 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.033 -3.987 5.510 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.236 -5.654 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.234 -2.796 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.779 -4.177 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.862 -3.913 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.162 -4.744 6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.593 -3.118 5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.619 -2.904 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.172 -4.534 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.634 -3.132 3.194 1.00 0.00 H new ATOM 744 N ARG A 126 -1.251 -6.680 6.950 1.00 0.00 N ATOM 745 CA ARG A 126 -1.624 -7.244 8.234 1.00 0.00 C ATOM 746 C ARG A 126 -0.595 -6.901 9.308 1.00 0.00 C ATOM 747 O ARG A 126 -0.963 -6.581 10.436 1.00 0.00 O ATOM 748 CB ARG A 126 -1.757 -8.765 8.099 1.00 0.00 C ATOM 749 CG ARG A 126 -3.088 -9.122 7.403 1.00 0.00 C ATOM 750 CD ARG A 126 -4.216 -9.202 8.442 1.00 0.00 C ATOM 751 NE ARG A 126 -5.466 -9.613 7.811 1.00 0.00 N ATOM 752 CZ ARG A 126 -6.587 -9.704 8.516 1.00 0.00 C ATOM 753 NH1 ARG A 126 -6.573 -9.433 9.791 1.00 0.00 N ATOM 754 NH2 ARG A 126 -7.700 -10.061 7.937 1.00 0.00 N ATOM 0 H ARG A 126 -1.268 -7.340 6.173 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.579 -6.815 8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.920 -9.161 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.717 -9.230 9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.328 -8.371 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.992 -10.075 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.947 -9.911 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.346 -8.232 8.921 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.478 -9.833 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.703 -9.152 10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.432 -9.502 10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.711 -10.271 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -8.559 -10.130 8.482 1.00 0.00 H new ATOM 768 N GLU A 127 0.687 -6.956 8.957 1.00 0.00 N ATOM 769 CA GLU A 127 1.734 -6.633 9.924 1.00 0.00 C ATOM 770 C GLU A 127 1.863 -5.120 10.105 1.00 0.00 C ATOM 771 O GLU A 127 1.952 -4.629 11.230 1.00 0.00 O ATOM 772 CB GLU A 127 3.073 -7.220 9.472 1.00 0.00 C ATOM 773 CG GLU A 127 2.983 -8.750 9.456 1.00 0.00 C ATOM 774 CD GLU A 127 2.783 -9.286 10.871 1.00 0.00 C ATOM 775 OE1 GLU A 127 3.080 -8.561 11.806 1.00 0.00 O ATOM 776 OE2 GLU A 127 2.332 -10.413 10.999 1.00 0.00 O ATOM 0 H GLU A 127 1.022 -7.216 8.029 1.00 0.00 H new ATOM 0 HA GLU A 127 1.457 -7.073 10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.327 -6.850 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.868 -6.899 10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.155 -9.065 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.893 -9.170 9.026 1.00 0.00 H new ATOM 783 N ALA A 128 1.880 -4.390 8.996 1.00 0.00 N ATOM 784 CA ALA A 128 2.003 -2.935 9.060 1.00 0.00 C ATOM 785 C ALA A 128 0.800 -2.334 9.779 1.00 0.00 C ATOM 786 O ALA A 128 0.946 -1.528 10.699 1.00 0.00 O ATOM 787 CB ALA A 128 2.117 -2.358 7.633 1.00 0.00 C ATOM 0 H ALA A 128 1.811 -4.773 8.053 1.00 0.00 H new ATOM 0 HA ALA A 128 2.903 -2.679 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.208 -1.273 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.997 -2.773 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.226 -2.620 7.062 1.00 0.00 H new ATOM 793 N ASP A 129 -0.390 -2.714 9.330 1.00 0.00 N ATOM 794 CA ASP A 129 -1.619 -2.191 9.909 1.00 0.00 C ATOM 795 C ASP A 129 -1.525 -2.168 11.429 1.00 0.00 C ATOM 796 O ASP A 129 -1.201 -3.174 12.061 1.00 0.00 O ATOM 797 CB ASP A 129 -2.809 -3.045 9.468 1.00 0.00 C ATOM 798 CG ASP A 129 -4.105 -2.274 9.648 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.347 -1.817 10.744 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.833 -2.144 8.683 1.00 0.00 O ATOM 0 H ASP A 129 -0.529 -3.380 8.570 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.764 -1.170 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.691 -3.333 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.841 -3.965 10.051 1.00 0.00 H new ATOM 805 N ILE A 130 -1.797 -1.003 12.001 1.00 0.00 N ATOM 806 CA ILE A 130 -1.732 -0.831 13.452 1.00 0.00 C ATOM 807 C ILE A 130 -3.124 -0.893 14.074 1.00 0.00 C ATOM 808 O ILE A 130 -3.280 -1.258 15.238 1.00 0.00 O ATOM 809 CB ILE A 130 -1.088 0.518 13.782 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.234 0.647 13.017 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.814 0.590 15.290 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.925 1.964 13.388 1.00 0.00 C ATOM 0 H ILE A 130 -2.064 -0.163 11.487 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.131 -1.641 13.865 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.758 1.328 13.493 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.885 -0.195 13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.048 0.614 11.944 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.355 1.549 15.531 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.752 0.489 15.836 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.140 -0.217 15.576 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.864 2.049 12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.277 2.801 13.128 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.127 1.980 14.459 1.00 0.00 H new ATOM 824 N ASP A 131 -4.133 -0.534 13.291 1.00 0.00 N ATOM 825 CA ASP A 131 -5.519 -0.545 13.776 1.00 0.00 C ATOM 826 C ASP A 131 -6.196 -1.883 13.486 1.00 0.00 C ATOM 827 O ASP A 131 -7.234 -2.204 14.064 1.00 0.00 O ATOM 828 CB ASP A 131 -6.304 0.581 13.103 1.00 0.00 C ATOM 829 CG ASP A 131 -5.794 1.931 13.591 1.00 0.00 C ATOM 830 OD1 ASP A 131 -5.170 1.962 14.640 1.00 0.00 O ATOM 831 OD2 ASP A 131 -6.028 2.913 12.907 1.00 0.00 O ATOM 0 H ASP A 131 -4.026 -0.232 12.323 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.504 -0.397 14.856 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.199 0.513 12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.366 0.481 13.328 1.00 0.00 H new ATOM 836 N GLY A 132 -5.611 -2.646 12.575 1.00 0.00 N ATOM 837 CA GLY A 132 -6.171 -3.937 12.195 1.00 0.00 C ATOM 838 C GLY A 132 -7.502 -3.756 11.466 1.00 0.00 C ATOM 839 O GLY A 132 -8.430 -4.543 11.647 1.00 0.00 O ATOM 0 H GLY A 132 -4.752 -2.396 12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.469 -4.469 11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.318 -4.551 13.084 1.00 0.00 H new ATOM 843 N ASP A 133 -7.593 -2.700 10.652 1.00 0.00 N ATOM 844 CA ASP A 133 -8.821 -2.402 9.904 1.00 0.00 C ATOM 845 C ASP A 133 -8.668 -2.745 8.421 1.00 0.00 C ATOM 846 O ASP A 133 -9.201 -2.049 7.557 1.00 0.00 O ATOM 847 CB ASP A 133 -9.159 -0.917 10.052 1.00 0.00 C ATOM 848 CG ASP A 133 -7.951 -0.070 9.669 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.857 -0.608 9.655 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.137 1.105 9.392 1.00 0.00 O ATOM 0 H ASP A 133 -6.834 -2.038 10.494 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.626 -3.013 10.313 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.008 -0.663 9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.454 -0.703 11.079 1.00 0.00 H new ATOM 855 N GLY A 134 -7.953 -3.830 8.138 1.00 0.00 N ATOM 856 CA GLY A 134 -7.749 -4.273 6.760 1.00 0.00 C ATOM 857 C GLY A 134 -7.238 -3.146 5.873 1.00 0.00 C ATOM 858 O GLY A 134 -7.139 -3.301 4.655 1.00 0.00 O ATOM 0 H GLY A 134 -7.506 -4.418 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.037 -5.098 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.688 -4.655 6.358 1.00 0.00 H new ATOM 862 N GLN A 135 -6.913 -2.011 6.481 1.00 0.00 N ATOM 863 CA GLN A 135 -6.410 -0.867 5.727 1.00 0.00 C ATOM 864 C GLN A 135 -5.418 -0.077 6.567 1.00 0.00 C ATOM 865 O GLN A 135 -5.482 -0.098 7.794 1.00 0.00 O ATOM 866 CB GLN A 135 -7.564 0.037 5.304 1.00 0.00 C ATOM 867 CG GLN A 135 -8.415 -0.677 4.255 1.00 0.00 C ATOM 868 CD GLN A 135 -9.458 0.280 3.687 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.183 1.001 2.725 1.00 0.00 O ATOM 870 NE2 GLN A 135 -10.644 0.330 4.225 1.00 0.00 N ATOM 0 H GLN A 135 -6.988 -1.858 7.487 1.00 0.00 H new ATOM 0 HA GLN A 135 -5.904 -1.237 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.175 0.293 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.177 0.972 4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.779 -1.052 3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -8.907 -1.541 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.869 -0.267 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.347 0.967 3.850 1.00 0.00 H new ATOM 879 N VAL A 136 -4.507 0.633 5.903 1.00 0.00 N ATOM 880 CA VAL A 136 -3.514 1.428 6.625 1.00 0.00 C ATOM 881 C VAL A 136 -3.351 2.805 5.988 1.00 0.00 C ATOM 882 O VAL A 136 -3.502 2.964 4.774 1.00 0.00 O ATOM 883 CB VAL A 136 -2.165 0.678 6.644 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.420 -0.823 6.686 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.337 1.014 5.404 1.00 0.00 C ATOM 0 H VAL A 136 -4.435 0.675 4.886 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.858 1.573 7.649 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.610 0.989 7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.468 -1.354 6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.986 -1.071 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.989 -1.120 5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.391 0.473 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.887 0.723 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.141 2.086 5.377 1.00 0.00 H new ATOM 895 N ASN A 137 -3.045 3.792 6.825 1.00 0.00 N ATOM 896 CA ASN A 137 -2.862 5.153 6.345 1.00 0.00 C ATOM 897 C ASN A 137 -1.651 5.221 5.426 1.00 0.00 C ATOM 898 O ASN A 137 -1.241 4.213 4.850 1.00 0.00 O ATOM 899 CB ASN A 137 -2.676 6.114 7.517 1.00 0.00 C ATOM 900 CG ASN A 137 -3.707 5.815 8.598 1.00 0.00 C ATOM 901 OD1 ASN A 137 -4.896 5.699 8.307 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.316 5.678 9.835 1.00 0.00 N ATOM 0 H ASN A 137 -2.920 3.674 7.830 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.753 5.447 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.670 6.015 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.782 7.144 7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.998 5.474 10.566 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.329 5.775 10.071 1.00 0.00 H new ATOM 909 N TYR A 138 -1.091 6.414 5.274 1.00 0.00 N ATOM 910 CA TYR A 138 0.062 6.598 4.401 1.00 0.00 C ATOM 911 C TYR A 138 1.367 6.120 5.049 1.00 0.00 C ATOM 912 O TYR A 138 2.087 5.316 4.467 1.00 0.00 O ATOM 913 CB TYR A 138 0.184 8.079 4.033 1.00 0.00 C ATOM 914 CG TYR A 138 -0.935 8.462 3.087 1.00 0.00 C ATOM 915 CD1 TYR A 138 -2.245 8.609 3.568 1.00 0.00 C ATOM 916 CD2 TYR A 138 -0.664 8.671 1.729 1.00 0.00 C ATOM 917 CE1 TYR A 138 -3.279 8.961 2.691 1.00 0.00 C ATOM 918 CE2 TYR A 138 -1.698 9.025 0.853 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.005 9.171 1.333 1.00 0.00 C ATOM 920 OH TYR A 138 -4.022 9.520 0.468 1.00 0.00 O ATOM 0 H TYR A 138 -1.413 7.263 5.739 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.098 5.993 3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.139 8.692 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.150 8.269 3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.456 8.451 4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 138 0.344 8.559 1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.288 9.071 3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -1.487 9.186 -0.194 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.887 9.347 0.894 1.00 0.00 H new ATOM 930 N GLU A 139 1.664 6.617 6.250 1.00 0.00 N ATOM 931 CA GLU A 139 2.894 6.232 6.944 1.00 0.00 C ATOM 932 C GLU A 139 2.932 4.725 7.163 1.00 0.00 C ATOM 933 O GLU A 139 3.803 4.032 6.613 1.00 0.00 O ATOM 934 CB GLU A 139 2.981 6.966 8.281 1.00 0.00 C ATOM 935 CG GLU A 139 3.100 8.473 8.031 1.00 0.00 C ATOM 936 CD GLU A 139 4.419 8.788 7.334 1.00 0.00 C ATOM 937 OE1 GLU A 139 5.317 7.967 7.415 1.00 0.00 O ATOM 938 OE2 GLU A 139 4.512 9.845 6.732 1.00 0.00 O ATOM 0 H GLU A 139 1.078 7.279 6.758 1.00 0.00 H new ATOM 0 HA GLU A 139 3.750 6.509 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.096 6.755 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.842 6.612 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.266 8.814 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.042 9.012 8.977 1.00 0.00 H new ATOM 945 N GLU A 140 1.999 4.239 7.995 1.00 0.00 N ATOM 946 CA GLU A 140 1.901 2.806 8.313 1.00 0.00 C ATOM 947 C GLU A 140 2.326 1.983 7.095 1.00 0.00 C ATOM 948 O GLU A 140 2.874 0.887 7.220 1.00 0.00 O ATOM 949 CB GLU A 140 0.460 2.440 8.671 1.00 0.00 C ATOM 950 CG GLU A 140 0.071 3.082 10.007 1.00 0.00 C ATOM 951 CD GLU A 140 -1.419 2.889 10.262 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.058 2.225 9.461 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.901 3.408 11.255 1.00 0.00 O ATOM 0 H GLU A 140 1.300 4.818 8.461 1.00 0.00 H new ATOM 0 HA GLU A 140 2.552 2.592 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.215 2.779 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.357 1.357 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.648 2.635 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.312 4.145 9.993 1.00 0.00 H new ATOM 960 N PHE A 141 2.092 2.561 5.913 1.00 0.00 N ATOM 961 CA PHE A 141 2.466 1.930 4.658 1.00 0.00 C ATOM 962 C PHE A 141 3.915 2.267 4.310 1.00 0.00 C ATOM 963 O PHE A 141 4.717 1.371 4.048 1.00 0.00 O ATOM 964 CB PHE A 141 1.551 2.432 3.524 1.00 0.00 C ATOM 965 CG PHE A 141 1.419 1.366 2.455 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.552 0.903 1.778 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.165 0.825 2.161 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.428 -0.096 0.806 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.039 -0.174 1.197 1.00 0.00 C ATOM 970 CZ PHE A 141 1.170 -0.636 0.514 1.00 0.00 C ATOM 0 H PHE A 141 1.642 3.470 5.806 1.00 0.00 H new ATOM 0 HA PHE A 141 2.359 0.851 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.568 2.683 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.962 3.344 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.523 1.317 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.711 1.182 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.303 -0.450 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.932 -0.592 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.072 -1.407 -0.236 1.00 0.00 H new ATOM 980 N VAL A 142 4.223 3.576 4.271 1.00 0.00 N ATOM 981 CA VAL A 142 5.567 4.046 3.904 1.00 0.00 C ATOM 982 C VAL A 142 6.618 3.062 4.378 1.00 0.00 C ATOM 983 O VAL A 142 7.396 2.546 3.584 1.00 0.00 O ATOM 984 CB VAL A 142 5.842 5.431 4.509 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.328 5.794 4.353 1.00 0.00 C ATOM 986 CG2 VAL A 142 4.991 6.484 3.783 1.00 0.00 C ATOM 0 H VAL A 142 3.562 4.322 4.488 1.00 0.00 H new ATOM 0 HA VAL A 142 5.614 4.122 2.818 1.00 0.00 H new ATOM 0 HB VAL A 142 5.586 5.409 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.510 6.778 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.940 5.053 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.590 5.809 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.185 7.467 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.248 6.492 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.935 6.240 3.898 1.00 0.00 H new ATOM 996 N GLN A 143 6.662 2.827 5.677 1.00 0.00 N ATOM 997 CA GLN A 143 7.658 1.911 6.218 1.00 0.00 C ATOM 998 C GLN A 143 7.796 0.671 5.332 1.00 0.00 C ATOM 999 O GLN A 143 8.833 0.465 4.702 1.00 0.00 O ATOM 1000 CB GLN A 143 7.252 1.498 7.627 1.00 0.00 C ATOM 1001 CG GLN A 143 7.327 2.718 8.539 1.00 0.00 C ATOM 1002 CD GLN A 143 6.790 2.357 9.913 1.00 0.00 C ATOM 1003 OE1 GLN A 143 6.466 1.198 10.167 1.00 0.00 O ATOM 1004 NE2 GLN A 143 6.668 3.286 10.817 1.00 0.00 N ATOM 0 H GLN A 143 6.037 3.245 6.366 1.00 0.00 H new ATOM 0 HA GLN A 143 8.622 2.419 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.241 1.091 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.911 0.711 7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.358 3.063 8.619 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.748 3.539 8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.938 4.246 10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.302 3.054 11.741 1.00 0.00 H new ATOM 1013 N MET A 144 6.753 -0.154 5.302 1.00 0.00 N ATOM 1014 CA MET A 144 6.788 -1.380 4.501 1.00 0.00 C ATOM 1015 C MET A 144 6.995 -1.076 3.014 1.00 0.00 C ATOM 1016 O MET A 144 7.875 -1.655 2.379 1.00 0.00 O ATOM 1017 CB MET A 144 5.482 -2.156 4.679 1.00 0.00 C ATOM 1018 CG MET A 144 5.369 -2.675 6.114 1.00 0.00 C ATOM 1019 SD MET A 144 6.601 -3.975 6.402 1.00 0.00 S ATOM 1020 CE MET A 144 5.501 -5.189 7.185 1.00 0.00 C ATOM 0 H MET A 144 5.884 -0.002 5.814 1.00 0.00 H new ATOM 0 HA MET A 144 7.630 -1.978 4.850 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.633 -1.512 4.449 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.448 -2.990 3.979 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.520 -1.857 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.367 -3.066 6.290 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.071 -6.081 7.446 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.068 -4.758 8.088 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.703 -5.457 6.492 1.00 0.00 H new ATOM 1030 N MET A 145 6.174 -0.186 2.454 1.00 0.00 N ATOM 1031 CA MET A 145 6.275 0.158 1.035 1.00 0.00 C ATOM 1032 C MET A 145 6.515 -1.085 0.183 1.00 0.00 C ATOM 1033 O MET A 145 5.569 -1.740 -0.255 1.00 0.00 O ATOM 1034 CB MET A 145 7.403 1.175 0.818 1.00 0.00 C ATOM 1035 CG MET A 145 7.514 1.557 -0.664 1.00 0.00 C ATOM 1036 SD MET A 145 5.982 2.356 -1.211 1.00 0.00 S ATOM 1037 CE MET A 145 6.338 4.022 -0.592 1.00 0.00 C ATOM 0 H MET A 145 5.436 0.307 2.958 1.00 0.00 H new ATOM 0 HA MET A 145 5.329 0.602 0.725 1.00 0.00 H new ATOM 0 HB2 MET A 145 7.214 2.067 1.415 1.00 0.00 H new ATOM 0 HB3 MET A 145 8.348 0.755 1.162 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.359 2.230 -0.813 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.705 0.668 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 145 5.628 4.729 -1.021 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.250 4.033 0.494 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.351 4.307 -0.876 1.00 0.00 H new