USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl 166:sc= -21! (180deg=-20.1!) USER MOD Set 1.2: A 145 MET CE :methyl -145:sc= -11.9! (180deg=-17.2!) USER MOD Single : A 97 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.109 USER MOD Single : A 107 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-0.54) USER MOD Single : A 110 THR OG1 : rot -18:sc= 0.336! USER MOD Single : A 111 ASN : amide:sc= -5.48! C(o=-5.5!,f=-13!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 124 MET CE :methyl 153:sc= -0.53 (180deg=-2.69!) USER MOD Single : A 135 GLN : amide:sc= -3.45! C(o=-3.5!,f=-5.2!) USER MOD Single : A 137 ASN : amide:sc= -5.96! K(o=-6!,f=-0.94) USER MOD Single : A 138 TYR OH : rot -59:sc= -5.21! USER MOD Single : A 143 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.56) USER MOD Single : A 144 MET CE :methyl -107:sc= -4.3! (180deg=-8.65!) USER MOD Single : A 146 THR OG1 : rot -61:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -6.493 -2.364 -7.977 1.00 0.00 N ATOM 92 CA GLU A 82 -6.440 -1.824 -6.591 1.00 0.00 C ATOM 93 C GLU A 82 -7.857 -1.755 -6.018 1.00 0.00 C ATOM 94 O GLU A 82 -8.136 -0.991 -5.116 1.00 0.00 O ATOM 95 CB GLU A 82 -5.816 -0.425 -6.595 1.00 0.00 C ATOM 96 CG GLU A 82 -4.651 -0.386 -7.586 1.00 0.00 C ATOM 97 CD GLU A 82 -4.920 0.677 -8.653 1.00 0.00 C ATOM 98 OE1 GLU A 82 -5.378 1.748 -8.291 1.00 0.00 O ATOM 99 OE2 GLU A 82 -4.664 0.402 -9.813 1.00 0.00 O ATOM 0 HA GLU A 82 -5.828 -2.481 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.565 0.318 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.465 -0.169 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.722 -0.163 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.526 -1.362 -8.054 1.00 0.00 H new ATOM 106 N GLU A 83 -8.755 -2.555 -6.525 1.00 0.00 N ATOM 107 CA GLU A 83 -10.145 -2.539 -5.992 1.00 0.00 C ATOM 108 C GLU A 83 -10.140 -3.155 -4.593 1.00 0.00 C ATOM 109 O GLU A 83 -10.922 -2.795 -3.736 1.00 0.00 O ATOM 110 CB GLU A 83 -11.058 -3.347 -6.912 1.00 0.00 C ATOM 111 CG GLU A 83 -10.741 -4.826 -6.749 1.00 0.00 C ATOM 112 CD GLU A 83 -11.546 -5.643 -7.763 1.00 0.00 C ATOM 113 OE1 GLU A 83 -12.739 -5.792 -7.559 1.00 0.00 O ATOM 114 OE2 GLU A 83 -10.954 -6.104 -8.725 1.00 0.00 O ATOM 0 H GLU A 83 -8.586 -3.217 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.514 -1.514 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.103 -3.157 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.913 -3.043 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.674 -4.997 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.980 -5.149 -5.736 1.00 0.00 H new ATOM 121 N GLU A 84 -9.247 -4.077 -4.356 1.00 0.00 N ATOM 122 CA GLU A 84 -9.163 -4.719 -3.016 1.00 0.00 C ATOM 123 C GLU A 84 -8.126 -3.969 -2.179 1.00 0.00 C ATOM 124 O GLU A 84 -8.285 -3.778 -0.990 1.00 0.00 O ATOM 125 CB GLU A 84 -8.731 -6.178 -3.180 1.00 0.00 C ATOM 126 CG GLU A 84 -9.774 -7.095 -2.538 1.00 0.00 C ATOM 127 CD GLU A 84 -10.071 -8.268 -3.475 1.00 0.00 C ATOM 128 OE1 GLU A 84 -9.125 -8.857 -3.973 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.238 -8.557 -3.679 1.00 0.00 O ATOM 0 H GLU A 84 -8.568 -4.414 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.134 -4.685 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.621 -6.419 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.758 -6.335 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.408 -7.465 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.688 -6.537 -2.336 1.00 0.00 H new ATOM 136 N ILE A 85 -7.068 -3.533 -2.805 1.00 0.00 N ATOM 137 CA ILE A 85 -6.010 -2.780 -2.075 1.00 0.00 C ATOM 138 C ILE A 85 -6.607 -1.481 -1.522 1.00 0.00 C ATOM 139 O ILE A 85 -6.622 -1.254 -0.330 1.00 0.00 O ATOM 140 CB ILE A 85 -4.879 -2.456 -3.052 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.155 -3.749 -3.433 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.891 -1.495 -2.397 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.513 -4.137 -4.868 1.00 0.00 C ATOM 0 H ILE A 85 -6.890 -3.668 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.623 -3.376 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.295 -1.990 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.077 -3.614 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.436 -4.550 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.087 -1.267 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.406 -0.574 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.473 -1.957 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.996 -5.058 -5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.589 -4.290 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.210 -3.340 -5.547 1.00 0.00 H new ATOM 155 N ARG A 86 -7.096 -0.629 -2.384 1.00 0.00 N ATOM 156 CA ARG A 86 -7.689 0.652 -1.920 1.00 0.00 C ATOM 157 C ARG A 86 -8.538 0.419 -0.670 1.00 0.00 C ATOM 158 O ARG A 86 -8.495 1.191 0.265 1.00 0.00 O ATOM 159 CB ARG A 86 -8.547 1.239 -3.043 1.00 0.00 C ATOM 160 CG ARG A 86 -8.286 2.737 -3.163 1.00 0.00 C ATOM 161 CD ARG A 86 -8.709 3.442 -1.873 1.00 0.00 C ATOM 162 NE ARG A 86 -8.023 4.762 -1.780 1.00 0.00 N ATOM 163 CZ ARG A 86 -8.098 5.607 -2.771 1.00 0.00 C ATOM 164 NH1 ARG A 86 -9.261 5.924 -3.272 1.00 0.00 N ATOM 165 NH2 ARG A 86 -7.011 6.137 -3.260 1.00 0.00 N ATOM 0 H ARG A 86 -7.109 -0.769 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.893 1.352 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.316 0.744 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.602 1.060 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.228 2.917 -3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.839 3.145 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.790 3.580 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.455 2.827 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.495 5.005 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.111 5.511 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.320 6.585 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.102 5.891 -2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.070 6.798 -4.035 1.00 0.00 H new ATOM 179 N GLU A 87 -9.295 -0.640 -0.628 1.00 0.00 N ATOM 180 CA GLU A 87 -10.117 -0.897 0.585 1.00 0.00 C ATOM 181 C GLU A 87 -9.177 -1.204 1.751 1.00 0.00 C ATOM 182 O GLU A 87 -9.326 -0.684 2.839 1.00 0.00 O ATOM 183 CB GLU A 87 -11.041 -2.090 0.335 1.00 0.00 C ATOM 184 CG GLU A 87 -11.706 -2.501 1.648 1.00 0.00 C ATOM 185 CD GLU A 87 -13.215 -2.640 1.436 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.829 -1.666 1.032 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.732 -3.717 1.682 1.00 0.00 O ATOM 0 H GLU A 87 -9.380 -1.332 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.726 -0.024 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.799 -1.828 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.472 -2.925 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.289 -3.445 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.504 -1.757 2.419 1.00 0.00 H new ATOM 194 N ALA A 88 -8.195 -2.034 1.523 1.00 0.00 N ATOM 195 CA ALA A 88 -7.226 -2.365 2.605 1.00 0.00 C ATOM 196 C ALA A 88 -6.111 -1.319 2.590 1.00 0.00 C ATOM 197 O ALA A 88 -4.972 -1.612 2.291 1.00 0.00 O ATOM 198 CB ALA A 88 -6.634 -3.751 2.351 1.00 0.00 C ATOM 0 H ALA A 88 -8.022 -2.498 0.631 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.726 -2.364 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.925 -3.994 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.434 -4.492 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.121 -3.757 1.389 1.00 0.00 H new ATOM 204 N PHE A 89 -6.446 -0.097 2.897 1.00 0.00 N ATOM 205 CA PHE A 89 -5.443 1.004 2.892 1.00 0.00 C ATOM 206 C PHE A 89 -6.204 2.318 3.048 1.00 0.00 C ATOM 207 O PHE A 89 -5.697 3.290 3.572 1.00 0.00 O ATOM 208 CB PHE A 89 -4.689 1.011 1.557 1.00 0.00 C ATOM 209 CG PHE A 89 -3.229 1.334 1.779 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.529 0.741 2.836 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.571 2.223 0.919 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.177 1.037 3.035 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.220 2.516 1.116 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.522 1.924 2.174 1.00 0.00 C ATOM 0 H PHE A 89 -7.390 0.190 3.156 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.724 0.871 3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.784 0.039 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.133 1.746 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.034 0.054 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.109 2.682 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.639 0.581 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.714 3.200 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.523 2.152 2.326 1.00 0.00 H new ATOM 224 N ARG A 90 -7.435 2.340 2.609 1.00 0.00 N ATOM 225 CA ARG A 90 -8.256 3.560 2.737 1.00 0.00 C ATOM 226 C ARG A 90 -8.475 3.829 4.217 1.00 0.00 C ATOM 227 O ARG A 90 -8.845 4.911 4.625 1.00 0.00 O ATOM 228 CB ARG A 90 -9.605 3.327 2.051 1.00 0.00 C ATOM 229 CG ARG A 90 -10.380 2.242 2.804 1.00 0.00 C ATOM 230 CD ARG A 90 -11.817 2.710 3.040 1.00 0.00 C ATOM 231 NE ARG A 90 -12.496 2.907 1.729 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.750 3.266 1.691 1.00 0.00 C ATOM 233 NH1 ARG A 90 -14.084 4.497 1.966 1.00 0.00 N ATOM 234 NH2 ARG A 90 -14.669 2.393 1.380 1.00 0.00 N ATOM 0 H ARG A 90 -7.904 1.551 2.164 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.758 4.411 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.180 4.253 2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.451 3.026 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.378 1.315 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.895 2.029 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.358 1.974 3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.819 3.641 3.607 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.981 2.761 0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.365 5.178 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.064 4.778 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.407 1.431 1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.649 2.673 1.350 1.00 0.00 H new ATOM 248 N VAL A 91 -8.246 2.833 5.022 1.00 0.00 N ATOM 249 CA VAL A 91 -8.434 2.990 6.480 1.00 0.00 C ATOM 250 C VAL A 91 -7.690 4.233 6.962 1.00 0.00 C ATOM 251 O VAL A 91 -8.050 4.844 7.949 1.00 0.00 O ATOM 252 CB VAL A 91 -7.867 1.761 7.187 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.117 1.873 8.690 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.551 0.506 6.642 1.00 0.00 C ATOM 0 H VAL A 91 -7.933 1.909 4.725 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.496 3.094 6.703 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.794 1.698 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.712 0.995 9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.629 2.769 9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.189 1.935 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.149 -0.374 7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.624 0.569 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.368 0.428 5.570 1.00 0.00 H new ATOM 264 N PHE A 92 -6.641 4.600 6.283 1.00 0.00 N ATOM 265 CA PHE A 92 -5.855 5.786 6.706 1.00 0.00 C ATOM 266 C PHE A 92 -6.091 6.948 5.739 1.00 0.00 C ATOM 267 O PHE A 92 -6.253 8.080 6.145 1.00 0.00 O ATOM 268 CB PHE A 92 -4.382 5.400 6.712 1.00 0.00 C ATOM 269 CG PHE A 92 -4.185 4.257 7.677 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.305 2.932 7.234 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.888 4.524 9.016 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.125 1.876 8.137 1.00 0.00 C ATOM 273 CE2 PHE A 92 -3.709 3.468 9.919 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.826 2.144 9.478 1.00 0.00 C ATOM 0 H PHE A 92 -6.294 4.126 5.449 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.164 6.105 7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.064 5.108 5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.769 6.252 7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.536 2.726 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.796 5.545 9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.217 0.855 7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.481 3.675 10.954 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.685 1.329 10.173 1.00 0.00 H new ATOM 284 N ASP A 93 -6.113 6.679 4.462 1.00 0.00 N ATOM 285 CA ASP A 93 -6.342 7.771 3.477 1.00 0.00 C ATOM 286 C ASP A 93 -7.849 7.968 3.282 1.00 0.00 C ATOM 287 O ASP A 93 -8.345 8.017 2.175 1.00 0.00 O ATOM 288 CB ASP A 93 -5.685 7.398 2.145 1.00 0.00 C ATOM 289 CG ASP A 93 -4.282 8.003 2.085 1.00 0.00 C ATOM 290 OD1 ASP A 93 -4.092 9.069 2.648 1.00 0.00 O ATOM 291 OD2 ASP A 93 -3.420 7.390 1.477 1.00 0.00 O ATOM 0 H ASP A 93 -5.982 5.751 4.060 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.904 8.699 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.630 6.314 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.287 7.765 1.314 1.00 0.00 H new ATOM 337 N ASN A 97 -6.010 11.348 0.899 1.00 0.00 N ATOM 338 CA ASN A 97 -4.604 11.827 0.773 1.00 0.00 C ATOM 339 C ASN A 97 -3.916 11.035 -0.338 1.00 0.00 C ATOM 340 O ASN A 97 -3.163 11.572 -1.128 1.00 0.00 O ATOM 341 CB ASN A 97 -3.864 11.606 2.094 1.00 0.00 C ATOM 342 CG ASN A 97 -3.398 12.953 2.649 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.156 13.880 1.902 1.00 0.00 O ATOM 344 ND2 ASN A 97 -3.259 13.102 3.938 1.00 0.00 N ATOM 0 HA ASN A 97 -4.594 12.891 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.519 11.112 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.008 10.949 1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.947 13.996 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.462 12.324 4.566 1.00 0.00 H new ATOM 351 N GLY A 98 -4.170 9.758 -0.399 1.00 0.00 N ATOM 352 CA GLY A 98 -3.540 8.913 -1.446 1.00 0.00 C ATOM 353 C GLY A 98 -2.345 8.192 -0.838 1.00 0.00 C ATOM 354 O GLY A 98 -2.377 7.002 -0.600 1.00 0.00 O ATOM 0 H GLY A 98 -4.793 9.261 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.260 8.192 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.222 9.529 -2.287 1.00 0.00 H new ATOM 358 N TYR A 99 -1.294 8.913 -0.579 1.00 0.00 N ATOM 359 CA TYR A 99 -0.083 8.294 0.019 1.00 0.00 C ATOM 360 C TYR A 99 -0.203 8.292 1.539 1.00 0.00 C ATOM 361 O TYR A 99 -0.684 9.234 2.137 1.00 0.00 O ATOM 362 CB TYR A 99 1.141 9.103 -0.418 1.00 0.00 C ATOM 363 CG TYR A 99 1.329 10.303 0.488 1.00 0.00 C ATOM 364 CD1 TYR A 99 2.096 10.186 1.652 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.736 11.529 0.160 1.00 0.00 C ATOM 366 CE1 TYR A 99 2.272 11.294 2.490 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.912 12.637 0.998 1.00 0.00 C ATOM 368 CZ TYR A 99 1.680 12.519 2.162 1.00 0.00 C ATOM 369 OH TYR A 99 1.853 13.612 2.988 1.00 0.00 O ATOM 0 H TYR A 99 -1.222 9.915 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 99 0.020 7.263 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.031 8.474 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.018 9.433 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.553 9.240 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.144 11.620 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.864 11.203 3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.455 13.583 0.746 1.00 0.00 H new ATOM 0 HH TYR A 99 1.377 14.383 2.614 1.00 0.00 H new ATOM 379 N ILE A 100 0.241 7.246 2.172 1.00 0.00 N ATOM 380 CA ILE A 100 0.161 7.198 3.647 1.00 0.00 C ATOM 381 C ILE A 100 1.561 6.963 4.223 1.00 0.00 C ATOM 382 O ILE A 100 2.495 6.661 3.506 1.00 0.00 O ATOM 383 CB ILE A 100 -0.800 6.093 4.088 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.885 4.980 3.040 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.192 6.696 4.290 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.913 3.958 3.514 1.00 0.00 C ATOM 0 H ILE A 100 0.655 6.425 1.729 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.221 8.147 4.023 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.428 5.662 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.175 5.390 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.088 4.507 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.885 5.915 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.146 7.470 5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.539 7.133 3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.991 3.154 2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.601 3.546 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.883 4.442 3.626 1.00 0.00 H new ATOM 398 N SER A 101 1.717 7.128 5.506 1.00 0.00 N ATOM 399 CA SER A 101 3.058 6.947 6.133 1.00 0.00 C ATOM 400 C SER A 101 3.478 5.479 6.103 1.00 0.00 C ATOM 401 O SER A 101 2.672 4.592 5.895 1.00 0.00 O ATOM 402 CB SER A 101 2.991 7.413 7.585 1.00 0.00 C ATOM 403 OG SER A 101 4.289 7.340 8.163 1.00 0.00 O ATOM 0 H SER A 101 0.970 7.382 6.152 1.00 0.00 H new ATOM 0 HA SER A 101 3.789 7.532 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.616 8.435 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.295 6.791 8.147 1.00 0.00 H new ATOM 0 HG SER A 101 4.249 7.640 9.095 1.00 0.00 H new ATOM 409 N ALA A 102 4.738 5.216 6.330 1.00 0.00 N ATOM 410 CA ALA A 102 5.218 3.808 6.341 1.00 0.00 C ATOM 411 C ALA A 102 4.545 3.083 7.500 1.00 0.00 C ATOM 412 O ALA A 102 4.443 1.874 7.514 1.00 0.00 O ATOM 413 CB ALA A 102 6.737 3.782 6.526 1.00 0.00 C ATOM 0 H ALA A 102 5.455 5.919 6.508 1.00 0.00 H new ATOM 0 HA ALA A 102 4.972 3.319 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.085 2.749 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.213 4.319 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.997 4.259 7.471 1.00 0.00 H new ATOM 419 N ALA A 103 4.061 3.818 8.463 1.00 0.00 N ATOM 420 CA ALA A 103 3.366 3.174 9.607 1.00 0.00 C ATOM 421 C ALA A 103 2.013 2.676 9.106 1.00 0.00 C ATOM 422 O ALA A 103 1.491 1.678 9.562 1.00 0.00 O ATOM 423 CB ALA A 103 3.160 4.194 10.729 1.00 0.00 C ATOM 0 H ALA A 103 4.118 4.836 8.505 1.00 0.00 H new ATOM 0 HA ALA A 103 3.958 2.346 9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.650 3.717 11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.128 4.570 11.061 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.555 5.023 10.361 1.00 0.00 H new ATOM 429 N GLU A 104 1.452 3.366 8.148 1.00 0.00 N ATOM 430 CA GLU A 104 0.144 2.943 7.582 1.00 0.00 C ATOM 431 C GLU A 104 0.295 1.552 6.977 1.00 0.00 C ATOM 432 O GLU A 104 -0.452 0.647 7.281 1.00 0.00 O ATOM 433 CB GLU A 104 -0.272 3.920 6.485 1.00 0.00 C ATOM 434 CG GLU A 104 -1.449 4.761 6.974 1.00 0.00 C ATOM 435 CD GLU A 104 -0.972 6.185 7.271 1.00 0.00 C ATOM 436 OE1 GLU A 104 -0.012 6.325 8.011 1.00 0.00 O ATOM 437 OE2 GLU A 104 -1.576 7.110 6.755 1.00 0.00 O ATOM 0 H GLU A 104 1.849 4.209 7.733 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.611 2.930 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.566 4.566 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.550 3.374 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.235 4.780 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.880 4.316 7.871 1.00 0.00 H new ATOM 444 N LEU A 105 1.264 1.381 6.121 1.00 0.00 N ATOM 445 CA LEU A 105 1.483 0.052 5.491 1.00 0.00 C ATOM 446 C LEU A 105 1.843 -0.959 6.577 1.00 0.00 C ATOM 447 O LEU A 105 1.329 -2.055 6.618 1.00 0.00 O ATOM 448 CB LEU A 105 2.625 0.157 4.487 1.00 0.00 C ATOM 449 CG LEU A 105 2.176 -0.441 3.159 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.449 0.551 2.030 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.950 -1.739 2.902 1.00 0.00 C ATOM 0 H LEU A 105 1.916 2.109 5.830 1.00 0.00 H new ATOM 0 HA LEU A 105 0.578 -0.272 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.913 1.200 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.503 -0.370 4.859 1.00 0.00 H new ATOM 0 HG LEU A 105 1.108 -0.654 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.127 0.121 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.899 1.474 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.516 0.768 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.632 -2.170 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.018 -1.524 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.751 -2.447 3.707 1.00 0.00 H new ATOM 463 N ARG A 106 2.716 -0.598 7.472 1.00 0.00 N ATOM 464 CA ARG A 106 3.089 -1.543 8.559 1.00 0.00 C ATOM 465 C ARG A 106 1.822 -1.988 9.295 1.00 0.00 C ATOM 466 O ARG A 106 1.823 -2.967 10.014 1.00 0.00 O ATOM 467 CB ARG A 106 4.039 -0.845 9.537 1.00 0.00 C ATOM 468 CG ARG A 106 4.124 -1.647 10.839 1.00 0.00 C ATOM 469 CD ARG A 106 3.057 -1.148 11.815 1.00 0.00 C ATOM 470 NE ARG A 106 3.694 -0.281 12.846 1.00 0.00 N ATOM 471 CZ ARG A 106 3.291 -0.339 14.086 1.00 0.00 C ATOM 472 NH1 ARG A 106 3.665 -1.330 14.848 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.513 0.594 14.563 1.00 0.00 N ATOM 0 H ARG A 106 3.186 0.307 7.499 1.00 0.00 H new ATOM 0 HA ARG A 106 3.588 -2.415 8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.029 -0.751 9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.685 0.165 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.978 -2.708 10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.115 -1.540 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.290 -0.590 11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.561 -1.993 12.291 1.00 0.00 H new ATOM 0 HE ARG A 106 4.445 0.357 12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.272 -2.059 14.475 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.350 -1.375 15.817 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.220 1.368 13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.198 0.549 15.532 1.00 0.00 H new ATOM 487 N HIS A 107 0.744 -1.271 9.131 1.00 0.00 N ATOM 488 CA HIS A 107 -0.516 -1.646 9.830 1.00 0.00 C ATOM 489 C HIS A 107 -1.554 -2.167 8.827 1.00 0.00 C ATOM 490 O HIS A 107 -2.520 -2.793 9.207 1.00 0.00 O ATOM 491 CB HIS A 107 -1.075 -0.412 10.542 1.00 0.00 C ATOM 492 CG HIS A 107 -2.195 -0.822 11.458 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.096 -0.717 12.836 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.445 -1.334 11.209 1.00 0.00 C ATOM 495 CE1 HIS A 107 -3.256 -1.156 13.361 1.00 0.00 C ATOM 496 NE2 HIS A 107 -4.113 -1.544 12.412 1.00 0.00 N ATOM 0 H HIS A 107 0.682 -0.441 8.542 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.302 -2.434 10.552 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.287 0.079 11.112 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.436 0.310 9.810 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.848 -1.542 10.229 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -3.468 -1.190 14.420 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -5.054 -1.914 12.541 1.00 0.00 H new ATOM 504 N VAL A 108 -1.375 -1.917 7.555 1.00 0.00 N ATOM 505 CA VAL A 108 -2.377 -2.408 6.561 1.00 0.00 C ATOM 506 C VAL A 108 -1.884 -3.697 5.917 1.00 0.00 C ATOM 507 O VAL A 108 -2.610 -4.662 5.824 1.00 0.00 O ATOM 508 CB VAL A 108 -2.606 -1.362 5.473 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.936 -1.661 4.781 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.656 0.031 6.103 1.00 0.00 C ATOM 0 H VAL A 108 -0.587 -1.400 7.164 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.315 -2.594 7.084 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.793 -1.394 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.114 -0.922 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.900 -2.656 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.744 -1.619 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.820 0.777 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.472 0.075 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.712 0.236 6.609 1.00 0.00 H new ATOM 520 N MET A 109 -0.671 -3.727 5.452 1.00 0.00 N ATOM 521 CA MET A 109 -0.173 -4.974 4.815 1.00 0.00 C ATOM 522 C MET A 109 -0.173 -6.111 5.846 1.00 0.00 C ATOM 523 O MET A 109 0.019 -7.260 5.508 1.00 0.00 O ATOM 524 CB MET A 109 1.268 -4.776 4.308 1.00 0.00 C ATOM 525 CG MET A 109 1.363 -4.620 2.771 1.00 0.00 C ATOM 526 SD MET A 109 -0.034 -5.375 1.899 1.00 0.00 S ATOM 527 CE MET A 109 0.562 -5.082 0.223 1.00 0.00 C ATOM 0 H MET A 109 -0.008 -2.952 5.484 1.00 0.00 H new ATOM 0 HA MET A 109 -0.825 -5.220 3.977 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.694 -3.892 4.782 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.874 -5.627 4.618 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.411 -3.560 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.291 -5.073 2.421 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.017 -5.681 -0.479 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.451 -4.026 -0.023 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.614 -5.361 0.157 1.00 0.00 H new ATOM 537 N THR A 110 -0.364 -5.803 7.101 1.00 0.00 N ATOM 538 CA THR A 110 -0.347 -6.873 8.140 1.00 0.00 C ATOM 539 C THR A 110 -1.750 -7.457 8.346 1.00 0.00 C ATOM 540 O THR A 110 -1.917 -8.456 9.017 1.00 0.00 O ATOM 541 CB THR A 110 0.148 -6.280 9.460 1.00 0.00 C ATOM 542 OG1 THR A 110 -0.126 -7.187 10.518 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.571 -4.957 9.718 1.00 0.00 C ATOM 0 H THR A 110 -0.531 -4.859 7.451 1.00 0.00 H new ATOM 0 HA THR A 110 0.317 -7.671 7.808 1.00 0.00 H new ATOM 0 HB THR A 110 1.223 -6.105 9.405 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.810 -7.828 10.231 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.221 -4.530 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.360 -4.263 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.645 -5.132 9.776 1.00 0.00 H new ATOM 551 N ASN A 111 -2.762 -6.850 7.787 1.00 0.00 N ATOM 552 CA ASN A 111 -4.139 -7.392 7.976 1.00 0.00 C ATOM 553 C ASN A 111 -4.760 -7.784 6.631 1.00 0.00 C ATOM 554 O ASN A 111 -5.442 -8.786 6.537 1.00 0.00 O ATOM 555 CB ASN A 111 -5.028 -6.354 8.676 1.00 0.00 C ATOM 556 CG ASN A 111 -4.802 -4.964 8.077 1.00 0.00 C ATOM 557 OD1 ASN A 111 -4.806 -4.794 6.876 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.618 -3.949 8.875 1.00 0.00 N ATOM 0 H ASN A 111 -2.697 -6.010 7.213 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.069 -8.283 8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.076 -6.635 8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.806 -6.337 9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.478 -3.015 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.614 -4.089 9.885 1.00 0.00 H new ATOM 565 N LEU A 112 -4.548 -7.026 5.582 1.00 0.00 N ATOM 566 CA LEU A 112 -5.161 -7.424 4.281 1.00 0.00 C ATOM 567 C LEU A 112 -4.635 -8.805 3.878 1.00 0.00 C ATOM 568 O LEU A 112 -3.991 -9.482 4.656 1.00 0.00 O ATOM 569 CB LEU A 112 -4.864 -6.396 3.167 1.00 0.00 C ATOM 570 CG LEU A 112 -3.405 -5.905 3.186 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.468 -7.018 3.661 1.00 0.00 C ATOM 572 CD2 LEU A 112 -3.008 -5.497 1.768 1.00 0.00 C ATOM 0 H LEU A 112 -3.992 -6.171 5.570 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.243 -7.459 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.080 -6.845 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.532 -5.542 3.279 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.323 -5.060 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.442 -6.651 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.750 -7.326 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.544 -7.871 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.976 -5.147 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.101 -6.355 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.663 -4.697 1.423 1.00 0.00 H new ATOM 584 N GLY A 113 -4.903 -9.233 2.674 1.00 0.00 N ATOM 585 CA GLY A 113 -4.416 -10.573 2.233 1.00 0.00 C ATOM 586 C GLY A 113 -2.912 -10.689 2.505 1.00 0.00 C ATOM 587 O GLY A 113 -2.451 -11.643 3.100 1.00 0.00 O ATOM 0 H GLY A 113 -5.437 -8.714 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.953 -11.359 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.615 -10.712 1.170 1.00 0.00 H new ATOM 591 N GLU A 114 -2.149 -9.721 2.073 1.00 0.00 N ATOM 592 CA GLU A 114 -0.673 -9.752 2.299 1.00 0.00 C ATOM 593 C GLU A 114 -0.366 -10.293 3.699 1.00 0.00 C ATOM 594 O GLU A 114 0.166 -11.375 3.855 1.00 0.00 O ATOM 595 CB GLU A 114 -0.129 -8.335 2.169 1.00 0.00 C ATOM 596 CG GLU A 114 0.932 -8.301 1.070 1.00 0.00 C ATOM 597 CD GLU A 114 2.118 -9.176 1.481 1.00 0.00 C ATOM 598 OE1 GLU A 114 1.963 -9.950 2.411 1.00 0.00 O ATOM 599 OE2 GLU A 114 3.160 -9.058 0.858 1.00 0.00 O ATOM 0 H GLU A 114 -2.488 -8.902 1.568 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.204 -10.403 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.937 -7.643 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.301 -8.010 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.510 -8.659 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.263 -7.276 0.901 1.00 0.00 H new ATOM 606 N LYS A 115 -0.702 -9.552 4.717 1.00 0.00 N ATOM 607 CA LYS A 115 -0.439 -10.022 6.107 1.00 0.00 C ATOM 608 C LYS A 115 0.980 -10.598 6.210 1.00 0.00 C ATOM 609 O LYS A 115 1.182 -11.791 6.106 1.00 0.00 O ATOM 610 CB LYS A 115 -1.459 -11.103 6.470 1.00 0.00 C ATOM 611 CG LYS A 115 -1.470 -11.310 7.985 1.00 0.00 C ATOM 612 CD LYS A 115 -2.906 -11.547 8.457 1.00 0.00 C ATOM 613 CE LYS A 115 -2.898 -11.927 9.939 1.00 0.00 C ATOM 614 NZ LYS A 115 -2.908 -13.412 10.072 1.00 0.00 N ATOM 0 H LYS A 115 -1.149 -8.638 4.647 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.528 -9.182 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.451 -10.811 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.209 -12.037 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.843 -12.161 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.051 -10.437 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.504 -10.648 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.367 -12.341 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.015 -11.514 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.767 -11.501 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.903 -13.670 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.763 -13.795 9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.065 -13.808 9.609 1.00 0.00 H new ATOM 628 N LEU A 116 1.964 -9.761 6.423 1.00 0.00 N ATOM 629 CA LEU A 116 3.362 -10.266 6.540 1.00 0.00 C ATOM 630 C LEU A 116 3.927 -9.850 7.908 1.00 0.00 C ATOM 631 O LEU A 116 3.379 -10.190 8.938 1.00 0.00 O ATOM 632 CB LEU A 116 4.212 -9.675 5.407 1.00 0.00 C ATOM 633 CG LEU A 116 4.068 -8.150 5.388 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.256 -7.537 4.646 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.771 -7.772 4.673 1.00 0.00 C ATOM 0 H LEU A 116 1.858 -8.751 6.521 1.00 0.00 H new ATOM 0 HA LEU A 116 3.380 -11.353 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.258 -9.948 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.897 -10.091 4.450 1.00 0.00 H new ATOM 0 HG LEU A 116 4.044 -7.773 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.155 -6.452 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.182 -7.809 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.279 -7.913 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.666 -6.687 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.796 -8.148 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.924 -8.211 5.200 1.00 0.00 H new ATOM 647 N THR A 117 5.009 -9.115 7.937 1.00 0.00 N ATOM 648 CA THR A 117 5.580 -8.682 9.244 1.00 0.00 C ATOM 649 C THR A 117 5.629 -7.153 9.282 1.00 0.00 C ATOM 650 O THR A 117 5.316 -6.491 8.313 1.00 0.00 O ATOM 651 CB THR A 117 6.998 -9.244 9.398 1.00 0.00 C ATOM 652 OG1 THR A 117 7.241 -10.200 8.377 1.00 0.00 O ATOM 653 CG2 THR A 117 7.138 -9.914 10.767 1.00 0.00 C ATOM 0 H THR A 117 5.520 -8.797 7.113 1.00 0.00 H new ATOM 0 HA THR A 117 4.958 -9.053 10.059 1.00 0.00 H new ATOM 0 HB THR A 117 7.720 -8.432 9.316 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.148 -10.559 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.146 -10.313 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.952 -9.181 11.552 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.416 -10.726 10.850 1.00 0.00 H new ATOM 661 N ASP A 118 6.015 -6.584 10.391 1.00 0.00 N ATOM 662 CA ASP A 118 6.079 -5.097 10.475 1.00 0.00 C ATOM 663 C ASP A 118 7.459 -4.623 10.021 1.00 0.00 C ATOM 664 O ASP A 118 7.592 -3.598 9.381 1.00 0.00 O ATOM 665 CB ASP A 118 5.837 -4.650 11.921 1.00 0.00 C ATOM 666 CG ASP A 118 4.334 -4.639 12.210 1.00 0.00 C ATOM 667 OD1 ASP A 118 3.623 -5.402 11.575 1.00 0.00 O ATOM 668 OD2 ASP A 118 3.919 -3.868 13.059 1.00 0.00 O ATOM 0 H ASP A 118 6.288 -7.081 11.239 1.00 0.00 H new ATOM 0 HA ASP A 118 5.313 -4.665 9.831 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.345 -5.324 12.611 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.255 -3.656 12.080 1.00 0.00 H new ATOM 673 N GLU A 119 8.486 -5.359 10.340 1.00 0.00 N ATOM 674 CA GLU A 119 9.852 -4.948 9.918 1.00 0.00 C ATOM 675 C GLU A 119 10.077 -5.381 8.470 1.00 0.00 C ATOM 676 O GLU A 119 10.930 -4.860 7.778 1.00 0.00 O ATOM 677 CB GLU A 119 10.895 -5.614 10.822 1.00 0.00 C ATOM 678 CG GLU A 119 10.882 -7.126 10.593 1.00 0.00 C ATOM 679 CD GLU A 119 11.887 -7.793 11.535 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.008 -7.315 11.606 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.519 -8.767 12.169 1.00 0.00 O ATOM 0 H GLU A 119 8.438 -6.227 10.874 1.00 0.00 H new ATOM 0 HA GLU A 119 9.950 -3.865 9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.886 -5.212 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.680 -5.392 11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.882 -7.523 10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.135 -7.350 9.557 1.00 0.00 H new ATOM 688 N GLU A 120 9.309 -6.327 8.008 1.00 0.00 N ATOM 689 CA GLU A 120 9.460 -6.797 6.604 1.00 0.00 C ATOM 690 C GLU A 120 8.652 -5.875 5.689 1.00 0.00 C ATOM 691 O GLU A 120 8.985 -5.674 4.538 1.00 0.00 O ATOM 692 CB GLU A 120 8.937 -8.233 6.493 1.00 0.00 C ATOM 693 CG GLU A 120 8.723 -8.603 5.022 1.00 0.00 C ATOM 694 CD GLU A 120 9.590 -9.813 4.667 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.489 -10.118 5.433 1.00 0.00 O ATOM 696 OE2 GLU A 120 9.343 -10.411 3.633 1.00 0.00 O ATOM 0 H GLU A 120 8.580 -6.797 8.545 1.00 0.00 H new ATOM 0 HA GLU A 120 10.509 -6.777 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.646 -8.923 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.000 -8.330 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.672 -8.830 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.980 -7.758 4.383 1.00 0.00 H new ATOM 703 N VAL A 121 7.590 -5.312 6.197 1.00 0.00 N ATOM 704 CA VAL A 121 6.758 -4.398 5.363 1.00 0.00 C ATOM 705 C VAL A 121 7.351 -2.986 5.398 1.00 0.00 C ATOM 706 O VAL A 121 7.504 -2.346 4.376 1.00 0.00 O ATOM 707 CB VAL A 121 5.316 -4.364 5.888 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.291 -3.983 7.369 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.516 -3.335 5.088 1.00 0.00 C ATOM 0 H VAL A 121 7.262 -5.445 7.154 1.00 0.00 H new ATOM 0 HA VAL A 121 6.752 -4.765 4.337 1.00 0.00 H new ATOM 0 HB VAL A 121 4.876 -5.355 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.260 -3.964 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.858 -4.716 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.737 -2.997 7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.490 -3.306 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.971 -2.351 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.516 -3.614 4.034 1.00 0.00 H new ATOM 719 N ASP A 122 7.684 -2.488 6.559 1.00 0.00 N ATOM 720 CA ASP A 122 8.261 -1.113 6.633 1.00 0.00 C ATOM 721 C ASP A 122 9.569 -1.062 5.837 1.00 0.00 C ATOM 722 O ASP A 122 9.852 -0.096 5.155 1.00 0.00 O ATOM 723 CB ASP A 122 8.510 -0.732 8.103 1.00 0.00 C ATOM 724 CG ASP A 122 9.879 -1.240 8.565 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.103 -2.436 8.490 1.00 0.00 O ATOM 726 OD2 ASP A 122 10.682 -0.422 8.986 1.00 0.00 O ATOM 0 H ASP A 122 7.583 -2.969 7.453 1.00 0.00 H new ATOM 0 HA ASP A 122 7.559 -0.399 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.460 0.351 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 122 7.727 -1.156 8.732 1.00 0.00 H new ATOM 731 N GLU A 123 10.364 -2.094 5.904 1.00 0.00 N ATOM 732 CA GLU A 123 11.638 -2.095 5.137 1.00 0.00 C ATOM 733 C GLU A 123 11.329 -2.419 3.675 1.00 0.00 C ATOM 734 O GLU A 123 12.142 -2.223 2.795 1.00 0.00 O ATOM 735 CB GLU A 123 12.588 -3.149 5.711 1.00 0.00 C ATOM 736 CG GLU A 123 13.918 -2.489 6.078 1.00 0.00 C ATOM 737 CD GLU A 123 15.062 -3.478 5.847 1.00 0.00 C ATOM 738 OE1 GLU A 123 14.776 -4.642 5.619 1.00 0.00 O ATOM 739 OE2 GLU A 123 16.205 -3.054 5.901 1.00 0.00 O ATOM 0 H GLU A 123 10.186 -2.934 6.455 1.00 0.00 H new ATOM 0 HA GLU A 123 12.114 -1.117 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.144 -3.613 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.752 -3.942 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.070 -1.594 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.903 -2.172 7.121 1.00 0.00 H new ATOM 746 N MET A 124 10.147 -2.910 3.412 1.00 0.00 N ATOM 747 CA MET A 124 9.770 -3.242 2.012 1.00 0.00 C ATOM 748 C MET A 124 9.157 -2.006 1.354 1.00 0.00 C ATOM 749 O MET A 124 9.037 -1.929 0.147 1.00 0.00 O ATOM 750 CB MET A 124 8.750 -4.385 2.017 1.00 0.00 C ATOM 751 CG MET A 124 8.122 -4.520 0.627 1.00 0.00 C ATOM 752 SD MET A 124 9.378 -5.081 -0.549 1.00 0.00 S ATOM 753 CE MET A 124 9.916 -6.542 0.374 1.00 0.00 C ATOM 0 H MET A 124 9.426 -3.095 4.110 1.00 0.00 H new ATOM 0 HA MET A 124 10.653 -3.552 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.237 -5.319 2.299 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.976 -4.192 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.294 -5.228 0.657 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.711 -3.563 0.307 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.309 -7.286 -0.319 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.694 -6.259 1.082 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.069 -6.963 0.915 1.00 0.00 H new ATOM 763 N ILE A 125 8.774 -1.033 2.139 1.00 0.00 N ATOM 764 CA ILE A 125 8.177 0.199 1.553 1.00 0.00 C ATOM 765 C ILE A 125 9.252 0.928 0.747 1.00 0.00 C ATOM 766 O ILE A 125 8.961 1.770 -0.075 1.00 0.00 O ATOM 767 CB ILE A 125 7.616 1.089 2.684 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.094 1.137 2.559 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.168 2.520 2.607 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.465 0.743 3.894 1.00 0.00 C ATOM 0 H ILE A 125 8.849 -1.040 3.156 1.00 0.00 H new ATOM 0 HA ILE A 125 7.352 -0.052 0.887 1.00 0.00 H new ATOM 0 HB ILE A 125 7.918 0.661 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.772 2.139 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.761 0.460 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.750 3.115 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.254 2.496 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.892 2.966 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.379 0.776 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.777 -0.267 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.789 1.438 4.668 1.00 0.00 H new ATOM 782 N ARG A 126 10.493 0.597 0.962 1.00 0.00 N ATOM 783 CA ARG A 126 11.576 1.260 0.187 1.00 0.00 C ATOM 784 C ARG A 126 11.349 0.992 -1.304 1.00 0.00 C ATOM 785 O ARG A 126 11.956 1.607 -2.155 1.00 0.00 O ATOM 786 CB ARG A 126 12.933 0.692 0.611 1.00 0.00 C ATOM 787 CG ARG A 126 13.045 0.724 2.138 1.00 0.00 C ATOM 788 CD ARG A 126 14.519 0.822 2.537 1.00 0.00 C ATOM 789 NE ARG A 126 14.620 1.216 3.971 1.00 0.00 N ATOM 790 CZ ARG A 126 15.720 0.985 4.634 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.879 1.185 4.067 1.00 0.00 N ATOM 792 NH2 ARG A 126 15.661 0.556 5.864 1.00 0.00 N ATOM 0 H ARG A 126 10.804 -0.101 1.638 1.00 0.00 H new ATOM 0 HA ARG A 126 11.565 2.333 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.040 -0.331 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.739 1.274 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.492 1.574 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.600 -0.175 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.015 -0.135 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.029 1.554 1.911 1.00 0.00 H new ATOM 0 HE ARG A 126 13.830 1.666 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.925 1.522 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.738 1.004 4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.755 0.401 6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.520 0.375 6.383 1.00 0.00 H new ATOM 806 N GLU A 127 10.478 0.072 -1.623 1.00 0.00 N ATOM 807 CA GLU A 127 10.206 -0.244 -3.050 1.00 0.00 C ATOM 808 C GLU A 127 9.070 0.641 -3.577 1.00 0.00 C ATOM 809 O GLU A 127 9.001 0.932 -4.755 1.00 0.00 O ATOM 810 CB GLU A 127 9.794 -1.713 -3.162 1.00 0.00 C ATOM 811 CG GLU A 127 9.457 -2.043 -4.616 1.00 0.00 C ATOM 812 CD GLU A 127 10.740 -2.400 -5.370 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.267 -3.474 -5.126 1.00 0.00 O ATOM 814 OE2 GLU A 127 11.174 -1.595 -6.176 1.00 0.00 O ATOM 0 H GLU A 127 9.942 -0.476 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 127 11.104 -0.059 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.602 -2.355 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.931 -1.909 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.755 -2.876 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 127 8.970 -1.191 -5.090 1.00 0.00 H new ATOM 821 N ALA A 128 8.169 1.060 -2.726 1.00 0.00 N ATOM 822 CA ALA A 128 7.037 1.909 -3.204 1.00 0.00 C ATOM 823 C ALA A 128 7.326 3.391 -2.938 1.00 0.00 C ATOM 824 O ALA A 128 7.258 4.214 -3.829 1.00 0.00 O ATOM 825 CB ALA A 128 5.758 1.503 -2.470 1.00 0.00 C ATOM 0 H ALA A 128 8.168 0.853 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 128 6.915 1.763 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.929 2.120 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.539 0.455 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.893 1.645 -1.398 1.00 0.00 H new ATOM 831 N ASP A 129 7.627 3.742 -1.717 1.00 0.00 N ATOM 832 CA ASP A 129 7.898 5.174 -1.388 1.00 0.00 C ATOM 833 C ASP A 129 9.270 5.598 -1.925 1.00 0.00 C ATOM 834 O ASP A 129 10.234 5.677 -1.191 1.00 0.00 O ATOM 835 CB ASP A 129 7.871 5.356 0.131 1.00 0.00 C ATOM 836 CG ASP A 129 8.439 6.729 0.497 1.00 0.00 C ATOM 837 OD1 ASP A 129 8.386 7.613 -0.343 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.917 6.874 1.610 1.00 0.00 O ATOM 0 H ASP A 129 7.697 3.098 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 129 7.132 5.794 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.849 5.265 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.455 4.571 0.611 1.00 0.00 H new ATOM 893 N GLY A 134 4.719 11.228 -2.640 1.00 0.00 N ATOM 894 CA GLY A 134 3.855 10.502 -1.667 1.00 0.00 C ATOM 895 C GLY A 134 4.464 9.129 -1.378 1.00 0.00 C ATOM 896 O GLY A 134 4.748 8.364 -2.277 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.766 11.075 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.849 10.389 -2.070 1.00 0.00 H new ATOM 900 N GLN A 135 4.669 8.810 -0.128 1.00 0.00 N ATOM 901 CA GLN A 135 5.263 7.487 0.214 1.00 0.00 C ATOM 902 C GLN A 135 4.510 6.381 -0.534 1.00 0.00 C ATOM 903 O GLN A 135 4.780 6.108 -1.686 1.00 0.00 O ATOM 904 CB GLN A 135 5.159 7.256 1.724 1.00 0.00 C ATOM 905 CG GLN A 135 6.066 8.247 2.455 1.00 0.00 C ATOM 906 CD GLN A 135 7.045 7.481 3.348 1.00 0.00 C ATOM 907 OE1 GLN A 135 6.832 6.324 3.649 1.00 0.00 O ATOM 908 NE2 GLN A 135 8.117 8.082 3.785 1.00 0.00 N ATOM 0 H GLN A 135 4.451 9.408 0.669 1.00 0.00 H new ATOM 0 HA GLN A 135 6.312 7.470 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.127 7.381 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.449 6.234 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.614 8.855 1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.466 8.930 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.296 9.054 3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.777 7.580 4.380 1.00 0.00 H new ATOM 917 N VAL A 136 3.566 5.743 0.106 1.00 0.00 N ATOM 918 CA VAL A 136 2.801 4.663 -0.580 1.00 0.00 C ATOM 919 C VAL A 136 1.404 5.174 -0.904 1.00 0.00 C ATOM 920 O VAL A 136 0.579 5.332 -0.030 1.00 0.00 O ATOM 921 CB VAL A 136 2.683 3.462 0.345 1.00 0.00 C ATOM 922 CG1 VAL A 136 1.898 3.865 1.595 1.00 0.00 C ATOM 923 CG2 VAL A 136 1.950 2.337 -0.390 1.00 0.00 C ATOM 0 H VAL A 136 3.293 5.923 1.072 1.00 0.00 H new ATOM 0 HA VAL A 136 3.317 4.374 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 136 3.674 3.117 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.810 3.007 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.421 4.672 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.903 4.203 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.861 1.471 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.956 2.678 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.511 2.060 -1.282 1.00 0.00 H new ATOM 933 N ASN A 137 1.125 5.451 -2.144 1.00 0.00 N ATOM 934 CA ASN A 137 -0.222 5.978 -2.477 1.00 0.00 C ATOM 935 C ASN A 137 -1.025 4.988 -3.316 1.00 0.00 C ATOM 936 O ASN A 137 -1.334 5.258 -4.452 1.00 0.00 O ATOM 937 CB ASN A 137 -0.067 7.283 -3.248 1.00 0.00 C ATOM 938 CG ASN A 137 1.146 7.187 -4.182 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.911 8.123 -4.299 1.00 0.00 O ATOM 940 ND2 ASN A 137 1.358 6.084 -4.856 1.00 0.00 N ATOM 0 H ASN A 137 1.763 5.337 -2.932 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.763 6.143 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.969 7.485 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.060 8.114 -2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.164 6.013 -5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 137 0.717 5.296 -4.760 1.00 0.00 H new ATOM 947 N TYR A 138 -1.397 3.872 -2.747 1.00 0.00 N ATOM 948 CA TYR A 138 -2.225 2.873 -3.491 1.00 0.00 C ATOM 949 C TYR A 138 -1.570 2.488 -4.805 1.00 0.00 C ATOM 950 O TYR A 138 -0.958 1.453 -4.906 1.00 0.00 O ATOM 951 CB TYR A 138 -3.606 3.457 -3.735 1.00 0.00 C ATOM 952 CG TYR A 138 -4.208 3.719 -2.393 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.650 4.679 -1.547 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.293 2.968 -1.982 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.192 4.891 -0.278 1.00 0.00 C ATOM 956 CE2 TYR A 138 -5.848 3.178 -0.715 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.297 4.142 0.138 1.00 0.00 C ATOM 958 OH TYR A 138 -5.835 4.345 1.392 1.00 0.00 O ATOM 0 H TYR A 138 -1.162 3.606 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.311 1.967 -2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.539 4.377 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.223 2.764 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.799 5.258 -1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.712 2.220 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.760 5.630 0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.701 2.597 -0.395 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.149 4.180 2.073 1.00 0.00 H new ATOM 968 N GLU A 139 -1.693 3.292 -5.819 1.00 0.00 N ATOM 969 CA GLU A 139 -1.057 2.931 -7.108 1.00 0.00 C ATOM 970 C GLU A 139 0.356 2.408 -6.820 1.00 0.00 C ATOM 971 O GLU A 139 0.896 1.597 -7.545 1.00 0.00 O ATOM 972 CB GLU A 139 -0.978 4.162 -8.019 1.00 0.00 C ATOM 973 CG GLU A 139 -2.261 4.985 -7.886 1.00 0.00 C ATOM 974 CD GLU A 139 -2.463 5.824 -9.149 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.659 6.712 -9.381 1.00 0.00 O ATOM 976 OE2 GLU A 139 -3.416 5.563 -9.863 1.00 0.00 O ATOM 0 H GLU A 139 -2.202 4.176 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.647 2.165 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.115 4.771 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.839 3.852 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.115 4.325 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.201 5.633 -7.012 1.00 0.00 H new ATOM 983 N GLU A 140 0.944 2.861 -5.738 1.00 0.00 N ATOM 984 CA GLU A 140 2.306 2.391 -5.358 1.00 0.00 C ATOM 985 C GLU A 140 2.167 1.303 -4.283 1.00 0.00 C ATOM 986 O GLU A 140 2.988 0.417 -4.165 1.00 0.00 O ATOM 987 CB GLU A 140 3.112 3.564 -4.793 1.00 0.00 C ATOM 988 CG GLU A 140 3.788 4.317 -5.941 1.00 0.00 C ATOM 989 CD GLU A 140 5.172 3.718 -6.200 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.243 2.525 -6.443 1.00 0.00 O ATOM 991 OE2 GLU A 140 6.136 4.463 -6.151 1.00 0.00 O ATOM 0 H GLU A 140 0.532 3.541 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 140 2.820 1.990 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.457 4.236 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.862 3.199 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.178 4.252 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 140 3.878 5.375 -5.693 1.00 0.00 H new ATOM 998 N PHE A 141 1.121 1.376 -3.500 1.00 0.00 N ATOM 999 CA PHE A 141 0.886 0.362 -2.421 1.00 0.00 C ATOM 1000 C PHE A 141 0.702 -1.028 -3.042 1.00 0.00 C ATOM 1001 O PHE A 141 0.980 -2.034 -2.423 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.396 0.751 -1.674 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.681 -0.199 -0.529 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.357 -0.700 0.258 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.006 -0.566 -0.249 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.070 -1.566 1.319 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.286 -1.432 0.815 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.249 -1.929 1.597 1.00 0.00 C ATOM 0 H PHE A 141 0.409 2.104 -3.561 1.00 0.00 H new ATOM 0 HA PHE A 141 1.738 0.337 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -0.301 1.767 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.237 0.750 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.379 -0.420 0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.812 -0.180 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.874 -1.956 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.307 -1.714 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.464 -2.596 2.419 1.00 0.00 H new ATOM 1018 N VAL A 142 0.225 -1.087 -4.256 1.00 0.00 N ATOM 1019 CA VAL A 142 0.003 -2.401 -4.920 1.00 0.00 C ATOM 1020 C VAL A 142 1.347 -3.095 -5.153 1.00 0.00 C ATOM 1021 O VAL A 142 1.412 -4.288 -5.371 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.706 -2.172 -6.259 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.063 -0.988 -6.983 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.589 -3.428 -7.130 1.00 0.00 C ATOM 0 H VAL A 142 -0.022 -0.274 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.616 -3.035 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.759 -1.958 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.568 -0.826 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.153 -0.093 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.991 -1.200 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.095 -3.260 -8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.463 -3.648 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.052 -4.271 -6.617 1.00 0.00 H new ATOM 1034 N GLN A 143 2.420 -2.358 -5.110 1.00 0.00 N ATOM 1035 CA GLN A 143 3.756 -2.976 -5.329 1.00 0.00 C ATOM 1036 C GLN A 143 4.094 -3.885 -4.147 1.00 0.00 C ATOM 1037 O GLN A 143 4.838 -4.836 -4.277 1.00 0.00 O ATOM 1038 CB GLN A 143 4.812 -1.876 -5.444 1.00 0.00 C ATOM 1039 CG GLN A 143 6.193 -2.512 -5.609 1.00 0.00 C ATOM 1040 CD GLN A 143 6.954 -1.795 -6.725 1.00 0.00 C ATOM 1041 OE1 GLN A 143 7.624 -2.424 -7.521 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.878 -0.496 -6.820 1.00 0.00 N ATOM 0 H GLN A 143 2.430 -1.354 -4.933 1.00 0.00 H new ATOM 0 HA GLN A 143 3.741 -3.563 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.592 -1.233 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.794 -1.245 -4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.750 -2.446 -4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.092 -3.571 -5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.316 0.032 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.381 -0.009 -7.562 1.00 0.00 H new ATOM 1051 N MET A 144 3.552 -3.602 -2.994 1.00 0.00 N ATOM 1052 CA MET A 144 3.844 -4.451 -1.805 1.00 0.00 C ATOM 1053 C MET A 144 3.012 -5.732 -1.887 1.00 0.00 C ATOM 1054 O MET A 144 3.519 -6.823 -1.727 1.00 0.00 O ATOM 1055 CB MET A 144 3.484 -3.695 -0.521 1.00 0.00 C ATOM 1056 CG MET A 144 3.907 -2.230 -0.636 1.00 0.00 C ATOM 1057 SD MET A 144 5.436 -1.968 0.294 1.00 0.00 S ATOM 1058 CE MET A 144 6.540 -1.806 -1.131 1.00 0.00 C ATOM 0 H MET A 144 2.920 -2.820 -2.824 1.00 0.00 H new ATOM 0 HA MET A 144 4.906 -4.697 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.411 -3.758 -0.341 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.978 -4.158 0.333 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.056 -1.965 -1.683 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.119 -1.582 -0.251 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.153 -2.703 -1.220 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.948 -1.680 -2.037 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.184 -0.937 -0.995 1.00 0.00 H new ATOM 1068 N MET A 145 1.734 -5.606 -2.128 1.00 0.00 N ATOM 1069 CA MET A 145 0.875 -6.827 -2.215 1.00 0.00 C ATOM 1070 C MET A 145 1.426 -7.764 -3.290 1.00 0.00 C ATOM 1071 O MET A 145 1.609 -8.944 -3.064 1.00 0.00 O ATOM 1072 CB MET A 145 -0.581 -6.465 -2.563 1.00 0.00 C ATOM 1073 CG MET A 145 -0.660 -5.090 -3.231 1.00 0.00 C ATOM 1074 SD MET A 145 -1.014 -3.835 -1.974 1.00 0.00 S ATOM 1075 CE MET A 145 -2.516 -4.594 -1.312 1.00 0.00 C ATOM 0 H MET A 145 1.249 -4.719 -2.268 1.00 0.00 H new ATOM 0 HA MET A 145 0.887 -7.317 -1.242 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.998 -7.221 -3.228 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.187 -6.468 -1.657 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.280 -4.863 -3.734 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.439 -5.087 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.219 -3.814 -1.020 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.971 -5.226 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.264 -5.200 -0.442 1.00 0.00 H new ATOM 1085 N THR A 146 1.688 -7.252 -4.462 1.00 0.00 N ATOM 1086 CA THR A 146 2.223 -8.121 -5.549 1.00 0.00 C ATOM 1087 C THR A 146 3.748 -8.017 -5.589 1.00 0.00 C ATOM 1088 O THR A 146 4.371 -8.274 -6.600 1.00 0.00 O ATOM 1089 CB THR A 146 1.644 -7.673 -6.893 1.00 0.00 C ATOM 1090 OG1 THR A 146 2.285 -8.383 -7.943 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.873 -6.172 -7.075 1.00 0.00 C ATOM 0 H THR A 146 1.555 -6.272 -4.713 1.00 0.00 H new ATOM 0 HA THR A 146 1.938 -9.155 -5.357 1.00 0.00 H new ATOM 0 HB THR A 146 0.574 -7.879 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.245 -8.189 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 146 1.460 -5.854 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.380 -5.628 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.942 -5.962 -7.053 1.00 0.00 H new