USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 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 -116:sc= -0.647 (180deg=-0.7) USER MOD Set 1.2: A 124 MET CE :methyl 158:sc= -0.187 (180deg=-2.06) USER MOD Set 2.1: A 107 HIS :FLIP no HE2:sc= -1.74 F(o=-4.8!,f=-2.2) USER MOD Set 2.2: A 111 ASN : amide:sc= -0.471 K(o=-2.2,f=-3.2) USER MOD Single : A 81 SER OG : rot -28:sc= 0.0145 USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.0614 (180deg=-0.503) USER MOD Single : A 97 ASN : amide:sc= 0.0264 K(o=0.026,f=-11!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -92:sc= 1.28 USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= -0.0745 (180deg=-0.562) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 137 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.8!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.236 USER MOD Single : A 143 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 144 MET CE :methyl 178:sc= -3.79 (180deg=-3.84) USER MOD Single : A 145 MET CE :methyl -129:sc= 0 (180deg=-3.2) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -5.79! C(o=-5.8!,f=-14!) USER MOD Single : B 48 SER OG : rot 62:sc= 1.3 USER MOD Single : B 49 GLN : amide:sc= -12.2! C(o=-12!,f=-17!) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 GLN : amide:sc= -0.861 K(o=-0.86,f=-1.7!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 5.818 -8.841 -11.422 1.00 0.00 N ATOM 81 CA SER A 81 5.928 -8.560 -9.994 1.00 0.00 C ATOM 82 C SER A 81 4.620 -8.010 -9.438 1.00 0.00 C ATOM 83 O SER A 81 4.485 -7.827 -8.229 1.00 0.00 O ATOM 84 CB SER A 81 7.055 -7.559 -9.740 1.00 0.00 C ATOM 85 OG SER A 81 6.688 -6.295 -10.278 1.00 0.00 O ATOM 0 HA SER A 81 6.152 -9.497 -9.485 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.245 -7.471 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.979 -7.909 -10.200 1.00 0.00 H new ATOM 0 HG SER A 81 6.081 -6.426 -11.036 1.00 0.00 H new ATOM 91 N GLU A 82 3.661 -7.738 -10.313 1.00 0.00 N ATOM 92 CA GLU A 82 2.384 -7.203 -9.864 1.00 0.00 C ATOM 93 C GLU A 82 1.763 -8.125 -8.830 1.00 0.00 C ATOM 94 O GLU A 82 1.135 -7.677 -7.874 1.00 0.00 O ATOM 95 CB GLU A 82 1.436 -7.042 -11.055 1.00 0.00 C ATOM 96 CG GLU A 82 1.141 -8.412 -11.674 1.00 0.00 C ATOM 97 CD GLU A 82 0.302 -8.241 -12.935 1.00 0.00 C ATOM 98 OE1 GLU A 82 -0.007 -7.109 -13.268 1.00 0.00 O ATOM 99 OE2 GLU A 82 -0.022 -9.245 -13.547 1.00 0.00 O ATOM 0 H GLU A 82 3.740 -7.876 -11.320 1.00 0.00 H new ATOM 0 HA GLU A 82 2.553 -6.227 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.507 -6.572 -10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.883 -6.385 -11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.074 -8.921 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.611 -9.039 -10.956 1.00 0.00 H new ATOM 106 N GLU A 83 1.964 -9.416 -9.022 1.00 0.00 N ATOM 107 CA GLU A 83 1.438 -10.406 -8.091 1.00 0.00 C ATOM 108 C GLU A 83 2.118 -10.272 -6.734 1.00 0.00 C ATOM 109 O GLU A 83 1.484 -10.436 -5.692 1.00 0.00 O ATOM 110 CB GLU A 83 1.656 -11.816 -8.640 1.00 0.00 C ATOM 111 CG GLU A 83 2.968 -11.865 -9.423 1.00 0.00 C ATOM 112 CD GLU A 83 3.535 -13.280 -9.406 1.00 0.00 C ATOM 113 OE1 GLU A 83 3.645 -13.841 -8.329 1.00 0.00 O ATOM 114 OE2 GLU A 83 3.852 -13.783 -10.473 1.00 0.00 O ATOM 0 H GLU A 83 2.484 -9.805 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 83 0.369 -10.232 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.682 -12.536 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.825 -12.098 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.799 -11.545 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.687 -11.171 -8.987 1.00 0.00 H new ATOM 121 N GLU A 84 3.411 -9.964 -6.755 1.00 0.00 N ATOM 122 CA GLU A 84 4.162 -9.803 -5.518 1.00 0.00 C ATOM 123 C GLU A 84 3.590 -8.644 -4.704 1.00 0.00 C ATOM 124 O GLU A 84 3.392 -8.755 -3.494 1.00 0.00 O ATOM 125 CB GLU A 84 5.637 -9.536 -5.840 1.00 0.00 C ATOM 126 CG GLU A 84 6.439 -9.423 -4.540 1.00 0.00 C ATOM 127 CD GLU A 84 7.918 -9.229 -4.858 1.00 0.00 C ATOM 128 OE1 GLU A 84 8.251 -9.188 -6.031 1.00 0.00 O ATOM 129 OE2 GLU A 84 8.695 -9.123 -3.923 1.00 0.00 O ATOM 0 H GLU A 84 3.955 -9.822 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 84 4.082 -10.718 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.036 -10.342 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.732 -8.617 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.072 -8.584 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.302 -10.322 -3.939 1.00 0.00 H new ATOM 136 N ILE A 85 3.314 -7.537 -5.386 1.00 0.00 N ATOM 137 CA ILE A 85 2.751 -6.362 -4.732 1.00 0.00 C ATOM 138 C ILE A 85 1.337 -6.648 -4.235 1.00 0.00 C ATOM 139 O ILE A 85 0.982 -6.281 -3.117 1.00 0.00 O ATOM 140 CB ILE A 85 2.735 -5.183 -5.708 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.176 -4.791 -6.077 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.013 -3.989 -5.077 1.00 0.00 C ATOM 143 CD1 ILE A 85 4.972 -4.352 -4.834 1.00 0.00 C ATOM 0 H ILE A 85 3.471 -7.429 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 85 3.373 -6.110 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 85 2.204 -5.478 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.675 -5.636 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.159 -3.981 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.007 -3.155 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.987 -4.269 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.530 -3.692 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.986 -4.081 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.485 -3.491 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.009 -5.172 -4.117 1.00 0.00 H new ATOM 155 N ARG A 86 0.543 -7.315 -5.070 1.00 0.00 N ATOM 156 CA ARG A 86 -0.833 -7.651 -4.710 1.00 0.00 C ATOM 157 C ARG A 86 -0.869 -8.533 -3.468 1.00 0.00 C ATOM 158 O ARG A 86 -1.766 -8.408 -2.636 1.00 0.00 O ATOM 159 CB ARG A 86 -1.528 -8.367 -5.871 1.00 0.00 C ATOM 160 CG ARG A 86 -1.822 -7.362 -6.988 1.00 0.00 C ATOM 161 CD ARG A 86 -2.316 -8.107 -8.231 1.00 0.00 C ATOM 162 NE ARG A 86 -2.705 -7.157 -9.267 1.00 0.00 N ATOM 163 CZ ARG A 86 -3.016 -7.568 -10.493 1.00 0.00 C ATOM 164 NH1 ARG A 86 -2.974 -8.839 -10.786 1.00 0.00 N ATOM 165 NH2 ARG A 86 -3.362 -6.699 -11.404 1.00 0.00 N ATOM 0 H ARG A 86 0.827 -7.632 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.361 -6.722 -4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.895 -9.171 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.455 -8.826 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.574 -6.646 -6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.923 -6.793 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.531 -8.764 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.164 -8.740 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.739 -6.161 -9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.703 -9.518 -10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.213 -9.154 -11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.394 -5.705 -11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.601 -7.014 -12.344 1.00 0.00 H new ATOM 179 N GLU A 87 0.111 -9.418 -3.344 1.00 0.00 N ATOM 180 CA GLU A 87 0.165 -10.308 -2.191 1.00 0.00 C ATOM 181 C GLU A 87 0.151 -9.482 -0.913 1.00 0.00 C ATOM 182 O GLU A 87 -0.508 -9.839 0.064 1.00 0.00 O ATOM 183 CB GLU A 87 1.438 -11.160 -2.245 1.00 0.00 C ATOM 184 CG GLU A 87 1.415 -12.203 -1.120 1.00 0.00 C ATOM 185 CD GLU A 87 1.821 -11.564 0.207 1.00 0.00 C ATOM 186 OE1 GLU A 87 2.567 -10.599 0.180 1.00 0.00 O ATOM 187 OE2 GLU A 87 1.380 -12.054 1.234 1.00 0.00 O ATOM 0 H GLU A 87 0.869 -9.539 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.702 -10.969 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.513 -11.657 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.317 -10.523 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.417 -12.632 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.094 -13.021 -1.360 1.00 0.00 H new ATOM 194 N ALA A 88 0.873 -8.371 -0.932 1.00 0.00 N ATOM 195 CA ALA A 88 0.936 -7.486 0.223 1.00 0.00 C ATOM 196 C ALA A 88 -0.451 -6.959 0.584 1.00 0.00 C ATOM 197 O ALA A 88 -0.769 -6.795 1.762 1.00 0.00 O ATOM 198 CB ALA A 88 1.871 -6.310 -0.069 1.00 0.00 C ATOM 0 H ALA A 88 1.423 -8.061 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 88 1.321 -8.058 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.912 -5.653 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.871 -6.686 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.497 -5.752 -0.928 1.00 0.00 H new ATOM 204 N PHE A 89 -1.287 -6.720 -0.426 1.00 0.00 N ATOM 205 CA PHE A 89 -2.644 -6.244 -0.170 1.00 0.00 C ATOM 206 C PHE A 89 -3.546 -7.410 0.230 1.00 0.00 C ATOM 207 O PHE A 89 -4.389 -7.278 1.116 1.00 0.00 O ATOM 208 CB PHE A 89 -3.197 -5.537 -1.409 1.00 0.00 C ATOM 209 CG PHE A 89 -2.447 -4.239 -1.598 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.888 -3.073 -0.963 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.303 -4.207 -2.401 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.182 -1.876 -1.132 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.596 -3.011 -2.572 1.00 0.00 C ATOM 214 CZ PHE A 89 -1.036 -1.845 -1.936 1.00 0.00 C ATOM 0 H PHE A 89 -1.054 -6.845 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.618 -5.530 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.084 -6.171 -2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.263 -5.344 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.772 -3.096 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.964 -5.108 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.522 -0.976 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.287 -2.988 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.492 -0.921 -2.065 1.00 0.00 H new ATOM 224 N ARG A 90 -3.371 -8.548 -0.442 1.00 0.00 N ATOM 225 CA ARG A 90 -4.192 -9.721 -0.152 1.00 0.00 C ATOM 226 C ARG A 90 -4.207 -10.000 1.346 1.00 0.00 C ATOM 227 O ARG A 90 -5.157 -10.585 1.867 1.00 0.00 O ATOM 228 CB ARG A 90 -3.680 -10.950 -0.910 1.00 0.00 C ATOM 229 CG ARG A 90 -4.021 -10.806 -2.397 1.00 0.00 C ATOM 230 CD ARG A 90 -3.555 -12.050 -3.158 1.00 0.00 C ATOM 231 NE ARG A 90 -3.879 -11.923 -4.574 1.00 0.00 N ATOM 232 CZ ARG A 90 -3.586 -12.889 -5.438 1.00 0.00 C ATOM 233 NH1 ARG A 90 -2.995 -13.977 -5.024 1.00 0.00 N ATOM 234 NH2 ARG A 90 -3.888 -12.749 -6.700 1.00 0.00 N ATOM 0 H ARG A 90 -2.679 -8.681 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.209 -9.512 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.602 -11.049 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.134 -11.855 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.096 -10.673 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.540 -9.917 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.480 -12.180 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.034 -12.938 -2.746 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.339 -11.076 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.758 -14.085 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.770 -14.719 -5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.349 -11.898 -7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.663 -13.490 -7.363 1.00 0.00 H new ATOM 248 N VAL A 91 -3.167 -9.556 2.040 1.00 0.00 N ATOM 249 CA VAL A 91 -3.092 -9.742 3.482 1.00 0.00 C ATOM 250 C VAL A 91 -4.247 -9.017 4.170 1.00 0.00 C ATOM 251 O VAL A 91 -4.827 -9.525 5.129 1.00 0.00 O ATOM 252 CB VAL A 91 -1.760 -9.212 4.022 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.803 -9.185 5.555 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.627 -10.132 3.564 1.00 0.00 C ATOM 0 H VAL A 91 -2.370 -9.068 1.631 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.162 -10.809 3.693 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.590 -8.204 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.855 -8.808 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.613 -8.534 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.972 -10.194 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.323 -9.758 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.800 -11.139 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.595 -10.156 2.475 1.00 0.00 H new ATOM 264 N PHE A 92 -4.573 -7.823 3.675 1.00 0.00 N ATOM 265 CA PHE A 92 -5.658 -7.039 4.258 1.00 0.00 C ATOM 266 C PHE A 92 -6.999 -7.418 3.627 1.00 0.00 C ATOM 267 O PHE A 92 -8.050 -7.279 4.253 1.00 0.00 O ATOM 268 CB PHE A 92 -5.397 -5.546 4.045 1.00 0.00 C ATOM 269 CG PHE A 92 -3.959 -5.224 4.391 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.444 -5.535 5.658 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.133 -4.617 3.436 1.00 0.00 C ATOM 272 CE1 PHE A 92 -2.110 -5.239 5.963 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.801 -4.324 3.746 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.291 -4.636 5.007 1.00 0.00 C ATOM 0 H PHE A 92 -4.107 -7.383 2.882 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.700 -7.253 5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.601 -5.276 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.071 -4.957 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.076 -6.003 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.525 -4.375 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.714 -5.478 6.939 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.166 -3.856 3.008 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.262 -4.411 5.243 1.00 0.00 H new ATOM 284 N ASP A 93 -6.955 -7.919 2.393 1.00 0.00 N ATOM 285 CA ASP A 93 -8.175 -8.339 1.706 1.00 0.00 C ATOM 286 C ASP A 93 -8.391 -9.835 1.936 1.00 0.00 C ATOM 287 O ASP A 93 -7.659 -10.660 1.392 1.00 0.00 O ATOM 288 CB ASP A 93 -8.083 -8.061 0.202 1.00 0.00 C ATOM 289 CG ASP A 93 -9.390 -8.456 -0.478 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.236 -9.022 0.194 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.523 -8.190 -1.660 1.00 0.00 O ATOM 0 H ASP A 93 -6.098 -8.043 1.854 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.014 -7.771 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.878 -7.004 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.254 -8.621 -0.230 1.00 0.00 H new ATOM 296 N LYS A 94 -9.385 -10.186 2.749 1.00 0.00 N ATOM 297 CA LYS A 94 -9.646 -11.597 3.031 1.00 0.00 C ATOM 298 C LYS A 94 -10.762 -12.116 2.144 1.00 0.00 C ATOM 299 O LYS A 94 -10.636 -13.159 1.503 1.00 0.00 O ATOM 300 CB LYS A 94 -10.079 -11.765 4.485 1.00 0.00 C ATOM 301 CG LYS A 94 -9.097 -11.037 5.391 1.00 0.00 C ATOM 302 CD LYS A 94 -9.447 -11.321 6.853 1.00 0.00 C ATOM 303 CE LYS A 94 -8.530 -10.509 7.768 1.00 0.00 C ATOM 304 NZ LYS A 94 -8.833 -9.058 7.610 1.00 0.00 N ATOM 0 H LYS A 94 -10.011 -9.530 3.216 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.730 -12.156 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.084 -11.367 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.116 -12.823 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.079 -11.364 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.134 -9.965 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.489 -11.064 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.338 -12.385 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.673 -10.811 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.486 -10.703 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.509 -8.542 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.343 -8.690 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.859 -8.928 7.497 1.00 0.00 H new ATOM 318 N ASP A 95 -11.867 -11.392 2.145 1.00 0.00 N ATOM 319 CA ASP A 95 -13.036 -11.791 1.373 1.00 0.00 C ATOM 320 C ASP A 95 -12.749 -11.750 -0.124 1.00 0.00 C ATOM 321 O ASP A 95 -13.470 -12.358 -0.915 1.00 0.00 O ATOM 322 CB ASP A 95 -14.211 -10.864 1.694 1.00 0.00 C ATOM 323 CG ASP A 95 -15.505 -11.442 1.129 1.00 0.00 C ATOM 324 OD1 ASP A 95 -15.428 -12.415 0.397 1.00 0.00 O ATOM 325 OD2 ASP A 95 -16.555 -10.902 1.437 1.00 0.00 O ATOM 0 H ASP A 95 -11.982 -10.525 2.670 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.288 -12.816 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.301 -10.738 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.030 -9.876 1.272 1.00 0.00 H new ATOM 330 N GLY A 96 -11.692 -11.050 -0.518 1.00 0.00 N ATOM 331 CA GLY A 96 -11.344 -10.977 -1.932 1.00 0.00 C ATOM 332 C GLY A 96 -12.408 -10.227 -2.718 1.00 0.00 C ATOM 333 O GLY A 96 -12.747 -10.606 -3.840 1.00 0.00 O ATOM 0 H GLY A 96 -11.072 -10.534 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.382 -10.478 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.231 -11.984 -2.335 1.00 0.00 H new ATOM 337 N ASN A 97 -12.918 -9.147 -2.137 1.00 0.00 N ATOM 338 CA ASN A 97 -13.923 -8.344 -2.817 1.00 0.00 C ATOM 339 C ASN A 97 -13.232 -7.292 -3.675 1.00 0.00 C ATOM 340 O ASN A 97 -13.874 -6.567 -4.434 1.00 0.00 O ATOM 341 CB ASN A 97 -14.840 -7.667 -1.795 1.00 0.00 C ATOM 342 CG ASN A 97 -14.051 -6.648 -0.979 1.00 0.00 C ATOM 343 OD1 ASN A 97 -12.821 -6.660 -0.992 1.00 0.00 O ATOM 344 ND2 ASN A 97 -14.691 -5.762 -0.264 1.00 0.00 N ATOM 0 H ASN A 97 -12.656 -8.812 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.529 -8.990 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.666 -7.174 -2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.276 -8.416 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.171 -5.078 0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.711 -5.754 -0.255 1.00 0.00 H new ATOM 351 N GLY A 98 -11.909 -7.237 -3.551 1.00 0.00 N ATOM 352 CA GLY A 98 -11.110 -6.285 -4.312 1.00 0.00 C ATOM 353 C GLY A 98 -10.886 -4.990 -3.531 1.00 0.00 C ATOM 354 O GLY A 98 -10.328 -4.030 -4.062 1.00 0.00 O ATOM 0 H GLY A 98 -11.369 -7.841 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.148 -6.733 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.609 -6.061 -5.255 1.00 0.00 H new ATOM 358 N TYR A 99 -11.321 -4.966 -2.272 1.00 0.00 N ATOM 359 CA TYR A 99 -11.152 -3.773 -1.444 1.00 0.00 C ATOM 360 C TYR A 99 -10.685 -4.145 -0.042 1.00 0.00 C ATOM 361 O TYR A 99 -10.893 -5.269 0.418 1.00 0.00 O ATOM 362 CB TYR A 99 -12.474 -3.013 -1.320 1.00 0.00 C ATOM 363 CG TYR A 99 -13.050 -2.726 -2.682 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.596 -3.769 -3.431 1.00 0.00 C ATOM 365 CD2 TYR A 99 -13.035 -1.426 -3.197 1.00 0.00 C ATOM 366 CE1 TYR A 99 -14.133 -3.518 -4.698 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.573 -1.171 -4.465 1.00 0.00 C ATOM 368 CZ TYR A 99 -14.121 -2.218 -5.217 1.00 0.00 C ATOM 369 OH TYR A 99 -14.652 -1.967 -6.466 1.00 0.00 O ATOM 0 H TYR A 99 -11.786 -5.746 -1.808 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.403 -3.146 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.183 -3.599 -0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.313 -2.078 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.604 -4.772 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.609 -0.620 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.557 -4.327 -5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.565 -0.167 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.564 -1.013 -6.673 1.00 0.00 H new ATOM 379 N ILE A 100 -10.092 -3.174 0.648 1.00 0.00 N ATOM 380 CA ILE A 100 -9.639 -3.378 2.019 1.00 0.00 C ATOM 381 C ILE A 100 -10.169 -2.221 2.856 1.00 0.00 C ATOM 382 O ILE A 100 -10.320 -1.112 2.344 1.00 0.00 O ATOM 383 CB ILE A 100 -8.102 -3.417 2.091 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.544 -2.007 2.294 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.538 -3.960 0.781 1.00 0.00 C ATOM 386 CD1 ILE A 100 -6.043 -2.010 2.003 1.00 0.00 C ATOM 0 H ILE A 100 -9.915 -2.240 0.280 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.010 -4.332 2.394 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.816 -4.056 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.052 -1.304 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.727 -1.675 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.450 -3.986 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.917 -4.968 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.844 -3.315 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.642 -1.006 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.542 -2.701 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.873 -2.325 0.973 1.00 0.00 H new ATOM 398 N SER A 101 -10.461 -2.458 4.126 1.00 0.00 N ATOM 399 CA SER A 101 -10.980 -1.382 4.958 1.00 0.00 C ATOM 400 C SER A 101 -9.982 -0.229 4.995 1.00 0.00 C ATOM 401 O SER A 101 -8.793 -0.435 5.196 1.00 0.00 O ATOM 402 CB SER A 101 -11.232 -1.891 6.377 1.00 0.00 C ATOM 403 OG SER A 101 -11.658 -0.808 7.194 1.00 0.00 O ATOM 0 H SER A 101 -10.352 -3.358 4.593 1.00 0.00 H new ATOM 0 HA SER A 101 -11.921 -1.030 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.990 -2.674 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.323 -2.334 6.784 1.00 0.00 H new ATOM 0 HG SER A 101 -11.822 -1.130 8.105 1.00 0.00 H new ATOM 409 N ALA A 102 -10.475 0.981 4.787 1.00 0.00 N ATOM 410 CA ALA A 102 -9.615 2.160 4.792 1.00 0.00 C ATOM 411 C ALA A 102 -9.005 2.402 6.172 1.00 0.00 C ATOM 412 O ALA A 102 -7.868 2.859 6.288 1.00 0.00 O ATOM 413 CB ALA A 102 -10.406 3.393 4.360 1.00 0.00 C ATOM 0 H ALA A 102 -11.461 1.175 4.613 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.804 1.979 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.753 4.266 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.796 3.241 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.235 3.554 5.050 1.00 0.00 H new ATOM 419 N ALA A 103 -9.783 2.131 7.213 1.00 0.00 N ATOM 420 CA ALA A 103 -9.331 2.366 8.582 1.00 0.00 C ATOM 421 C ALA A 103 -8.066 1.574 8.919 1.00 0.00 C ATOM 422 O ALA A 103 -7.179 2.091 9.599 1.00 0.00 O ATOM 423 CB ALA A 103 -10.440 1.981 9.564 1.00 0.00 C ATOM 0 H ALA A 103 -10.726 1.750 7.138 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.095 3.427 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.100 2.157 10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.326 2.585 9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.685 0.926 9.441 1.00 0.00 H new ATOM 429 N GLU A 104 -7.978 0.329 8.464 1.00 0.00 N ATOM 430 CA GLU A 104 -6.800 -0.483 8.766 1.00 0.00 C ATOM 431 C GLU A 104 -5.582 0.051 8.024 1.00 0.00 C ATOM 432 O GLU A 104 -4.449 -0.102 8.479 1.00 0.00 O ATOM 433 CB GLU A 104 -7.042 -1.942 8.371 1.00 0.00 C ATOM 434 CG GLU A 104 -6.691 -2.154 6.897 1.00 0.00 C ATOM 435 CD GLU A 104 -7.361 -3.421 6.378 1.00 0.00 C ATOM 436 OE1 GLU A 104 -7.479 -4.363 7.146 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.750 -3.431 5.222 1.00 0.00 O ATOM 0 H GLU A 104 -8.689 -0.134 7.898 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.615 -0.430 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.438 -2.601 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.085 -2.206 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.016 -1.295 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.610 -2.230 6.779 1.00 0.00 H new ATOM 444 N LEU A 105 -5.822 0.681 6.880 1.00 0.00 N ATOM 445 CA LEU A 105 -4.728 1.233 6.087 1.00 0.00 C ATOM 446 C LEU A 105 -4.001 2.289 6.910 1.00 0.00 C ATOM 447 O LEU A 105 -2.773 2.297 6.988 1.00 0.00 O ATOM 448 CB LEU A 105 -5.280 1.877 4.811 1.00 0.00 C ATOM 449 CG LEU A 105 -4.126 2.300 3.887 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.440 1.060 3.298 1.00 0.00 C ATOM 451 CD2 LEU A 105 -4.680 3.158 2.750 1.00 0.00 C ATOM 0 H LEU A 105 -6.751 0.822 6.484 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.040 0.433 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.931 1.174 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.888 2.745 5.067 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.398 2.871 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.624 1.371 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.044 0.445 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.164 0.482 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.865 3.460 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.410 2.582 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.160 4.045 3.164 1.00 0.00 H new ATOM 463 N ARG A 106 -4.777 3.187 7.512 1.00 0.00 N ATOM 464 CA ARG A 106 -4.203 4.258 8.316 1.00 0.00 C ATOM 465 C ARG A 106 -3.326 3.662 9.413 1.00 0.00 C ATOM 466 O ARG A 106 -2.174 4.050 9.571 1.00 0.00 O ATOM 467 CB ARG A 106 -5.344 5.078 8.940 1.00 0.00 C ATOM 468 CG ARG A 106 -4.798 6.225 9.806 1.00 0.00 C ATOM 469 CD ARG A 106 -4.083 7.260 8.939 1.00 0.00 C ATOM 470 NE ARG A 106 -4.507 8.605 9.312 1.00 0.00 N ATOM 471 CZ ARG A 106 -3.977 9.230 10.358 1.00 0.00 C ATOM 472 NH1 ARG A 106 -3.053 8.645 11.070 1.00 0.00 N ATOM 473 NH2 ARG A 106 -4.382 10.430 10.672 1.00 0.00 N ATOM 0 H ARG A 106 -5.796 3.194 7.458 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.589 4.905 7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.976 5.485 8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.972 4.427 9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.616 6.700 10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.109 5.829 10.552 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.004 7.164 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.304 7.079 7.887 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.224 9.075 8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.737 7.707 10.824 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.647 9.126 11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.104 10.887 10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.976 10.911 11.475 1.00 0.00 H new ATOM 487 N HIS A 107 -3.864 2.705 10.157 1.00 0.00 N ATOM 488 CA HIS A 107 -3.100 2.058 11.217 1.00 0.00 C ATOM 489 C HIS A 107 -1.888 1.318 10.652 1.00 0.00 C ATOM 490 O HIS A 107 -0.784 1.410 11.182 1.00 0.00 O ATOM 491 CB HIS A 107 -3.999 1.072 11.961 1.00 0.00 C ATOM 492 CG HIS A 107 -3.172 0.248 12.904 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.791 -1.069 12.868 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.620 0.772 14.062 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -2.013 -1.362 13.984 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -1.941 -0.219 14.671 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.818 2.361 10.048 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.742 2.827 11.901 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.769 1.612 12.513 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.512 0.424 11.250 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.040 -1.733 12.135 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.717 1.789 14.412 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.564 -2.310 14.240 1.00 0.00 H new ATOM 505 N VAL A 108 -2.127 0.567 9.586 1.00 0.00 N ATOM 506 CA VAL A 108 -1.087 -0.230 8.941 1.00 0.00 C ATOM 507 C VAL A 108 0.060 0.634 8.406 1.00 0.00 C ATOM 508 O VAL A 108 1.227 0.249 8.495 1.00 0.00 O ATOM 509 CB VAL A 108 -1.719 -1.032 7.794 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.640 -1.723 6.953 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.647 -2.093 8.384 1.00 0.00 C ATOM 0 H VAL A 108 -3.043 0.491 9.144 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.659 -0.900 9.687 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.276 -0.349 7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.111 -2.285 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.028 -0.972 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.068 -2.404 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.101 -2.668 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.074 -2.760 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.429 -1.608 8.969 1.00 0.00 H new ATOM 521 N MET A 109 -0.271 1.789 7.840 1.00 0.00 N ATOM 522 CA MET A 109 0.754 2.676 7.285 1.00 0.00 C ATOM 523 C MET A 109 1.439 3.483 8.379 1.00 0.00 C ATOM 524 O MET A 109 2.515 4.041 8.158 1.00 0.00 O ATOM 525 CB MET A 109 0.124 3.634 6.266 1.00 0.00 C ATOM 526 CG MET A 109 0.178 3.024 4.860 1.00 0.00 C ATOM 527 SD MET A 109 -0.125 1.239 4.947 1.00 0.00 S ATOM 528 CE MET A 109 0.348 0.834 3.249 1.00 0.00 C ATOM 0 H MET A 109 -1.227 2.133 7.752 1.00 0.00 H new ATOM 0 HA MET A 109 1.502 2.054 6.794 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.910 3.840 6.541 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.653 4.587 6.277 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.567 3.497 4.221 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.152 3.214 4.409 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.520 0.453 2.711 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.719 1.730 2.751 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.130 0.075 3.260 1.00 0.00 H new ATOM 538 N THR A 110 0.810 3.559 9.545 1.00 0.00 N ATOM 539 CA THR A 110 1.374 4.328 10.649 1.00 0.00 C ATOM 540 C THR A 110 1.894 3.418 11.762 1.00 0.00 C ATOM 541 O THR A 110 2.664 3.863 12.611 1.00 0.00 O ATOM 542 CB THR A 110 0.315 5.284 11.208 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.743 4.535 11.790 1.00 0.00 O ATOM 544 CG2 THR A 110 -0.237 6.150 10.083 1.00 0.00 C ATOM 0 H THR A 110 -0.080 3.104 9.750 1.00 0.00 H new ATOM 0 HA THR A 110 2.219 4.899 10.264 1.00 0.00 H new ATOM 0 HB THR A 110 0.770 5.921 11.967 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.441 4.380 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.990 6.829 10.483 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.573 6.728 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.689 5.514 9.322 1.00 0.00 H new ATOM 552 N ASN A 111 1.455 2.155 11.771 1.00 0.00 N ATOM 553 CA ASN A 111 1.884 1.215 12.813 1.00 0.00 C ATOM 554 C ASN A 111 2.766 0.092 12.262 1.00 0.00 C ATOM 555 O ASN A 111 3.642 -0.409 12.968 1.00 0.00 O ATOM 556 CB ASN A 111 0.663 0.594 13.497 1.00 0.00 C ATOM 557 CG ASN A 111 1.109 -0.266 14.673 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.524 -1.409 14.485 1.00 0.00 O ATOM 559 ND2 ASN A 111 1.050 0.219 15.883 1.00 0.00 N ATOM 0 H ASN A 111 0.813 1.764 11.081 1.00 0.00 H new ATOM 0 HA ASN A 111 2.474 1.788 13.529 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.009 1.379 13.844 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.104 -0.012 12.783 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.348 -0.350 16.675 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.706 1.167 16.036 1.00 0.00 H new ATOM 566 N LEU A 112 2.519 -0.324 11.020 1.00 0.00 N ATOM 567 CA LEU A 112 3.293 -1.418 10.425 1.00 0.00 C ATOM 568 C LEU A 112 4.238 -0.923 9.334 1.00 0.00 C ATOM 569 O LEU A 112 3.867 -0.089 8.507 1.00 0.00 O ATOM 570 CB LEU A 112 2.343 -2.452 9.822 1.00 0.00 C ATOM 571 CG LEU A 112 1.397 -2.992 10.900 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.416 -3.980 10.263 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.200 -3.712 11.988 1.00 0.00 C ATOM 0 H LEU A 112 1.801 0.071 10.413 1.00 0.00 H new ATOM 0 HA LEU A 112 3.892 -1.863 11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.766 -2.000 9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.915 -3.271 9.386 1.00 0.00 H new ATOM 0 HG LEU A 112 0.851 -2.161 11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.259 -4.366 11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.162 -3.472 9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.970 -4.806 9.817 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.520 -4.093 12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.750 -4.542 11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.902 -3.014 12.444 1.00 0.00 H new ATOM 585 N GLY A 113 5.453 -1.473 9.331 1.00 0.00 N ATOM 586 CA GLY A 113 6.463 -1.121 8.335 1.00 0.00 C ATOM 587 C GLY A 113 6.723 0.379 8.304 1.00 0.00 C ATOM 588 O GLY A 113 5.791 1.158 8.119 1.00 0.00 O ATOM 0 H GLY A 113 5.761 -2.167 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.392 -1.647 8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.135 -1.454 7.350 1.00 0.00 H new ATOM 592 N GLU A 114 7.997 0.767 8.484 1.00 0.00 N ATOM 593 CA GLU A 114 8.403 2.180 8.468 1.00 0.00 C ATOM 594 C GLU A 114 7.198 3.103 8.573 1.00 0.00 C ATOM 595 O GLU A 114 6.622 3.503 7.562 1.00 0.00 O ATOM 596 CB GLU A 114 9.175 2.484 7.184 1.00 0.00 C ATOM 597 CG GLU A 114 10.394 1.564 7.095 1.00 0.00 C ATOM 598 CD GLU A 114 11.196 1.877 5.836 1.00 0.00 C ATOM 599 OE1 GLU A 114 11.663 2.998 5.720 1.00 0.00 O ATOM 600 OE2 GLU A 114 11.330 0.992 5.008 1.00 0.00 O ATOM 0 H GLU A 114 8.766 0.116 8.643 1.00 0.00 H new ATOM 0 HA GLU A 114 9.043 2.357 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.531 2.338 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.491 3.527 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.022 1.693 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.073 0.522 7.082 1.00 0.00 H new ATOM 607 N LYS A 115 6.796 3.399 9.797 1.00 0.00 N ATOM 608 CA LYS A 115 5.625 4.232 10.027 1.00 0.00 C ATOM 609 C LYS A 115 5.654 5.482 9.151 1.00 0.00 C ATOM 610 O LYS A 115 6.673 6.167 9.058 1.00 0.00 O ATOM 611 CB LYS A 115 5.591 4.649 11.497 1.00 0.00 C ATOM 612 CG LYS A 115 5.542 3.401 12.381 1.00 0.00 C ATOM 613 CD LYS A 115 5.465 3.820 13.852 1.00 0.00 C ATOM 614 CE LYS A 115 5.427 2.575 14.740 1.00 0.00 C ATOM 615 NZ LYS A 115 6.701 1.819 14.586 1.00 0.00 N ATOM 0 H LYS A 115 7.261 3.077 10.646 1.00 0.00 H new ATOM 0 HA LYS A 115 4.736 3.656 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.472 5.244 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.721 5.277 11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.677 2.791 12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.427 2.788 12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.326 4.437 14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.576 4.427 14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.285 2.862 15.782 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.581 1.944 14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.840 1.201 15.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.659 1.241 13.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.495 2.487 14.517 1.00 0.00 H new ATOM 629 N LEU A 116 4.513 5.783 8.533 1.00 0.00 N ATOM 630 CA LEU A 116 4.399 6.967 7.688 1.00 0.00 C ATOM 631 C LEU A 116 3.934 8.143 8.545 1.00 0.00 C ATOM 632 O LEU A 116 3.299 7.940 9.579 1.00 0.00 O ATOM 633 CB LEU A 116 3.372 6.740 6.563 1.00 0.00 C ATOM 634 CG LEU A 116 4.035 6.190 5.289 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.019 7.213 4.717 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.782 4.895 5.613 1.00 0.00 C ATOM 0 H LEU A 116 3.661 5.227 8.602 1.00 0.00 H new ATOM 0 HA LEU A 116 5.372 7.173 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.606 6.043 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.869 7.680 6.335 1.00 0.00 H new ATOM 0 HG LEU A 116 3.259 5.991 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.480 6.810 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.487 8.132 4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.792 7.427 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.250 4.509 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.549 5.095 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.080 4.157 6.001 1.00 0.00 H new ATOM 648 N THR A 117 4.226 9.368 8.117 1.00 0.00 N ATOM 649 CA THR A 117 3.798 10.537 8.871 1.00 0.00 C ATOM 650 C THR A 117 2.382 10.920 8.460 1.00 0.00 C ATOM 651 O THR A 117 1.890 10.472 7.426 1.00 0.00 O ATOM 652 CB THR A 117 4.745 11.709 8.610 1.00 0.00 C ATOM 653 OG1 THR A 117 4.683 12.068 7.237 1.00 0.00 O ATOM 654 CG2 THR A 117 6.176 11.302 8.968 1.00 0.00 C ATOM 0 H THR A 117 4.749 9.573 7.266 1.00 0.00 H new ATOM 0 HA THR A 117 3.816 10.299 9.935 1.00 0.00 H new ATOM 0 HB THR A 117 4.448 12.560 9.223 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.288 12.820 7.068 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.850 12.138 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.223 11.026 10.021 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.476 10.451 8.356 1.00 0.00 H new ATOM 662 N ASP A 118 1.729 11.746 9.264 1.00 0.00 N ATOM 663 CA ASP A 118 0.368 12.162 8.953 1.00 0.00 C ATOM 664 C ASP A 118 0.331 12.826 7.582 1.00 0.00 C ATOM 665 O ASP A 118 -0.581 12.590 6.789 1.00 0.00 O ATOM 666 CB ASP A 118 -0.130 13.145 10.015 1.00 0.00 C ATOM 667 CG ASP A 118 -1.581 13.523 9.741 1.00 0.00 C ATOM 668 OD1 ASP A 118 -2.093 13.116 8.711 1.00 0.00 O ATOM 669 OD2 ASP A 118 -2.158 14.214 10.564 1.00 0.00 O ATOM 0 H ASP A 118 2.112 12.137 10.125 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.279 11.285 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.044 12.697 11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.493 14.039 10.014 1.00 0.00 H new ATOM 674 N GLU A 119 1.327 13.659 7.312 1.00 0.00 N ATOM 675 CA GLU A 119 1.395 14.354 6.032 1.00 0.00 C ATOM 676 C GLU A 119 1.526 13.352 4.888 1.00 0.00 C ATOM 677 O GLU A 119 0.897 13.508 3.841 1.00 0.00 O ATOM 678 CB GLU A 119 2.595 15.309 6.012 1.00 0.00 C ATOM 679 CG GLU A 119 2.355 16.484 6.969 1.00 0.00 C ATOM 680 CD GLU A 119 2.677 16.076 8.404 1.00 0.00 C ATOM 681 OE1 GLU A 119 3.090 14.944 8.604 1.00 0.00 O ATOM 682 OE2 GLU A 119 2.503 16.901 9.286 1.00 0.00 O ATOM 0 H GLU A 119 2.092 13.869 7.954 1.00 0.00 H new ATOM 0 HA GLU A 119 0.476 14.925 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.499 14.774 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.755 15.682 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.975 17.331 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.317 16.810 6.901 1.00 0.00 H new ATOM 689 N GLU A 120 2.336 12.318 5.094 1.00 0.00 N ATOM 690 CA GLU A 120 2.523 11.297 4.070 1.00 0.00 C ATOM 691 C GLU A 120 1.265 10.449 3.908 1.00 0.00 C ATOM 692 O GLU A 120 0.835 10.172 2.793 1.00 0.00 O ATOM 693 CB GLU A 120 3.703 10.400 4.448 1.00 0.00 C ATOM 694 CG GLU A 120 5.005 11.191 4.287 1.00 0.00 C ATOM 695 CD GLU A 120 6.197 10.341 4.709 1.00 0.00 C ATOM 696 OE1 GLU A 120 6.249 9.964 5.869 1.00 0.00 O ATOM 697 OE2 GLU A 120 7.040 10.079 3.867 1.00 0.00 O ATOM 0 H GLU A 120 2.868 12.166 5.951 1.00 0.00 H new ATOM 0 HA GLU A 120 2.727 11.794 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.598 10.054 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.720 9.514 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.122 11.504 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.964 12.098 4.891 1.00 0.00 H new ATOM 704 N VAL A 121 0.685 10.046 5.033 1.00 0.00 N ATOM 705 CA VAL A 121 -0.522 9.224 5.008 1.00 0.00 C ATOM 706 C VAL A 121 -1.697 10.009 4.429 1.00 0.00 C ATOM 707 O VAL A 121 -2.484 9.473 3.654 1.00 0.00 O ATOM 708 CB VAL A 121 -0.877 8.753 6.424 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.230 8.041 6.407 1.00 0.00 C ATOM 710 CG2 VAL A 121 0.186 7.784 6.951 1.00 0.00 C ATOM 0 H VAL A 121 1.027 10.272 5.967 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.326 8.358 4.376 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.922 9.626 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.479 7.708 7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.998 8.728 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.179 7.179 5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.083 7.461 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.245 6.916 6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.154 8.285 6.978 1.00 0.00 H new ATOM 720 N ASP A 122 -1.844 11.265 4.825 1.00 0.00 N ATOM 721 CA ASP A 122 -2.965 12.053 4.337 1.00 0.00 C ATOM 722 C ASP A 122 -2.958 12.066 2.816 1.00 0.00 C ATOM 723 O ASP A 122 -4.005 11.963 2.177 1.00 0.00 O ATOM 724 CB ASP A 122 -2.870 13.487 4.865 1.00 0.00 C ATOM 725 CG ASP A 122 -3.174 13.515 6.357 1.00 0.00 C ATOM 726 OD1 ASP A 122 -3.676 12.522 6.858 1.00 0.00 O ATOM 727 OD2 ASP A 122 -2.901 14.528 6.979 1.00 0.00 O ATOM 0 H ASP A 122 -1.218 11.751 5.467 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.894 11.606 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.872 13.885 4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.572 14.127 4.331 1.00 0.00 H new ATOM 732 N GLU A 123 -1.769 12.164 2.242 1.00 0.00 N ATOM 733 CA GLU A 123 -1.628 12.156 0.795 1.00 0.00 C ATOM 734 C GLU A 123 -2.117 10.819 0.239 1.00 0.00 C ATOM 735 O GLU A 123 -2.738 10.762 -0.823 1.00 0.00 O ATOM 736 CB GLU A 123 -0.161 12.376 0.414 1.00 0.00 C ATOM 737 CG GLU A 123 -0.016 12.438 -1.112 1.00 0.00 C ATOM 738 CD GLU A 123 -0.777 13.638 -1.667 1.00 0.00 C ATOM 739 OE1 GLU A 123 -1.050 14.548 -0.903 1.00 0.00 O ATOM 740 OE2 GLU A 123 -1.075 13.628 -2.851 1.00 0.00 O ATOM 0 H GLU A 123 -0.891 12.250 2.754 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.228 12.961 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.204 13.302 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.452 11.567 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.038 12.510 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.397 11.519 -1.558 1.00 0.00 H new ATOM 747 N MET A 124 -1.832 9.746 0.974 1.00 0.00 N ATOM 748 CA MET A 124 -2.245 8.406 0.566 1.00 0.00 C ATOM 749 C MET A 124 -3.765 8.273 0.653 1.00 0.00 C ATOM 750 O MET A 124 -4.397 7.644 -0.194 1.00 0.00 O ATOM 751 CB MET A 124 -1.591 7.373 1.485 1.00 0.00 C ATOM 752 CG MET A 124 -0.077 7.414 1.286 1.00 0.00 C ATOM 753 SD MET A 124 0.733 6.375 2.525 1.00 0.00 S ATOM 754 CE MET A 124 0.175 4.784 1.884 1.00 0.00 C ATOM 0 H MET A 124 -1.317 9.779 1.854 1.00 0.00 H new ATOM 0 HA MET A 124 -1.933 8.235 -0.464 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.839 7.584 2.525 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.973 6.377 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.177 7.066 0.285 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.282 8.440 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.843 3.997 2.233 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.837 4.584 2.237 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.181 4.808 0.794 1.00 0.00 H new ATOM 764 N ILE A 125 -4.335 8.870 1.699 1.00 0.00 N ATOM 765 CA ILE A 125 -5.777 8.823 1.928 1.00 0.00 C ATOM 766 C ILE A 125 -6.537 9.419 0.743 1.00 0.00 C ATOM 767 O ILE A 125 -7.570 8.892 0.332 1.00 0.00 O ATOM 768 CB ILE A 125 -6.097 9.586 3.224 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.382 8.594 4.359 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.298 10.526 3.050 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.138 7.746 4.630 1.00 0.00 C ATOM 0 H ILE A 125 -3.816 9.394 2.404 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.095 7.785 2.029 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.227 10.194 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.670 9.133 5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.220 7.951 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.492 11.046 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.080 11.255 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.177 9.945 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.345 7.043 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.870 7.195 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.311 8.395 4.918 1.00 0.00 H new ATOM 783 N ARG A 126 -6.023 10.517 0.204 1.00 0.00 N ATOM 784 CA ARG A 126 -6.665 11.173 -0.931 1.00 0.00 C ATOM 785 C ARG A 126 -6.606 10.283 -2.167 1.00 0.00 C ATOM 786 O ARG A 126 -7.447 10.385 -3.060 1.00 0.00 O ATOM 787 CB ARG A 126 -5.974 12.505 -1.226 1.00 0.00 C ATOM 788 CG ARG A 126 -6.263 13.492 -0.093 1.00 0.00 C ATOM 789 CD ARG A 126 -5.461 14.774 -0.317 1.00 0.00 C ATOM 790 NE ARG A 126 -5.882 15.423 -1.552 1.00 0.00 N ATOM 791 CZ ARG A 126 -5.212 16.457 -2.050 1.00 0.00 C ATOM 792 NH1 ARG A 126 -4.155 16.908 -1.429 1.00 0.00 N ATOM 793 NH2 ARG A 126 -5.610 17.021 -3.157 1.00 0.00 N ATOM 0 H ARG A 126 -5.170 10.971 0.530 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.709 11.355 -0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.899 12.355 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -6.329 12.909 -2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.329 13.719 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.999 13.048 0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.603 15.452 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.397 14.542 -0.364 1.00 0.00 H new ATOM 0 HE ARG A 126 -6.706 15.077 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.845 16.467 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.640 17.702 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.436 16.668 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.095 17.815 -3.539 1.00 0.00 H new ATOM 807 N GLU A 127 -5.612 9.405 -2.201 1.00 0.00 N ATOM 808 CA GLU A 127 -5.452 8.490 -3.323 1.00 0.00 C ATOM 809 C GLU A 127 -6.088 7.136 -3.009 1.00 0.00 C ATOM 810 O GLU A 127 -6.243 6.291 -3.890 1.00 0.00 O ATOM 811 CB GLU A 127 -3.965 8.310 -3.631 1.00 0.00 C ATOM 812 CG GLU A 127 -3.413 9.613 -4.214 1.00 0.00 C ATOM 813 CD GLU A 127 -1.892 9.546 -4.314 1.00 0.00 C ATOM 814 OE1 GLU A 127 -1.308 8.717 -3.635 1.00 0.00 O ATOM 815 OE2 GLU A 127 -1.333 10.327 -5.067 1.00 0.00 O ATOM 0 H GLU A 127 -4.908 9.307 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.954 8.912 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.423 8.045 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.824 7.492 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.842 9.788 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.706 10.454 -3.585 1.00 0.00 H new ATOM 822 N ALA A 128 -6.436 6.937 -1.741 1.00 0.00 N ATOM 823 CA ALA A 128 -7.037 5.678 -1.306 1.00 0.00 C ATOM 824 C ALA A 128 -8.526 5.612 -1.665 1.00 0.00 C ATOM 825 O ALA A 128 -8.895 4.913 -2.603 1.00 0.00 O ATOM 826 CB ALA A 128 -6.852 5.521 0.207 1.00 0.00 C ATOM 0 H ALA A 128 -6.314 7.627 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.536 4.861 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.300 4.582 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.788 5.517 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.336 6.352 0.721 1.00 0.00 H new ATOM 832 N ASP A 129 -9.356 6.359 -0.924 1.00 0.00 N ATOM 833 CA ASP A 129 -10.812 6.403 -1.165 1.00 0.00 C ATOM 834 C ASP A 129 -11.540 7.056 0.013 1.00 0.00 C ATOM 835 O ASP A 129 -11.522 8.275 0.175 1.00 0.00 O ATOM 836 CB ASP A 129 -11.385 4.988 -1.370 1.00 0.00 C ATOM 837 CG ASP A 129 -12.909 5.036 -1.391 1.00 0.00 C ATOM 838 OD1 ASP A 129 -13.452 5.551 -2.355 1.00 0.00 O ATOM 839 OD2 ASP A 129 -13.512 4.556 -0.446 1.00 0.00 O ATOM 0 H ASP A 129 -9.046 6.945 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.969 6.993 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.014 4.569 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -11.045 4.331 -0.570 1.00 0.00 H new ATOM 844 N ILE A 130 -12.185 6.218 0.823 1.00 0.00 N ATOM 845 CA ILE A 130 -12.937 6.676 1.989 1.00 0.00 C ATOM 846 C ILE A 130 -14.061 7.633 1.595 1.00 0.00 C ATOM 847 O ILE A 130 -14.886 7.311 0.742 1.00 0.00 O ATOM 848 CB ILE A 130 -12.016 7.346 3.016 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.708 6.557 3.163 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.730 7.394 4.369 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.533 7.424 2.712 1.00 0.00 C ATOM 0 H ILE A 130 -12.201 5.207 0.690 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.384 5.792 2.444 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.781 8.354 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.570 6.251 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.752 5.646 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -12.082 7.869 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.652 7.967 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.965 6.380 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.605 6.862 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.669 7.707 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.485 8.322 3.328 1.00 0.00 H new ATOM 894 N GLY A 134 -15.502 4.127 3.781 1.00 0.00 N ATOM 895 CA GLY A 134 -14.313 3.723 4.531 1.00 0.00 C ATOM 896 C GLY A 134 -13.625 2.477 3.967 1.00 0.00 C ATOM 897 O GLY A 134 -12.970 1.747 4.712 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.601 4.548 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.594 3.535 5.567 1.00 0.00 H new ATOM 901 N GLN A 135 -13.744 2.249 2.661 1.00 0.00 N ATOM 902 CA GLN A 135 -13.086 1.101 2.029 1.00 0.00 C ATOM 903 C GLN A 135 -12.145 1.588 0.939 1.00 0.00 C ATOM 904 O GLN A 135 -12.378 2.632 0.333 1.00 0.00 O ATOM 905 CB GLN A 135 -14.107 0.135 1.429 1.00 0.00 C ATOM 906 CG GLN A 135 -15.207 0.929 0.732 1.00 0.00 C ATOM 907 CD GLN A 135 -16.205 -0.023 0.082 1.00 0.00 C ATOM 908 OE1 GLN A 135 -16.527 -1.068 0.648 1.00 0.00 O ATOM 909 NE2 GLN A 135 -16.715 0.277 -1.081 1.00 0.00 N ATOM 0 H GLN A 135 -14.283 2.835 2.023 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.523 0.569 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.619 -0.532 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.535 -0.491 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.718 1.568 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.772 1.584 -0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -16.446 1.143 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -17.382 -0.355 -1.524 1.00 0.00 H new ATOM 918 N VAL A 136 -11.070 0.842 0.712 1.00 0.00 N ATOM 919 CA VAL A 136 -10.076 1.219 -0.284 1.00 0.00 C ATOM 920 C VAL A 136 -9.812 0.104 -1.286 1.00 0.00 C ATOM 921 O VAL A 136 -9.633 -1.056 -0.912 1.00 0.00 O ATOM 922 CB VAL A 136 -8.775 1.578 0.425 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.634 1.620 -0.591 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.932 2.949 1.085 1.00 0.00 C ATOM 0 H VAL A 136 -10.865 -0.027 1.205 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.465 2.073 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.547 0.830 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.704 1.877 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.532 0.643 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.851 2.370 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.006 3.215 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.154 3.696 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.747 2.914 1.808 1.00 0.00 H new ATOM 934 N ASN A 137 -9.759 0.474 -2.562 1.00 0.00 N ATOM 935 CA ASN A 137 -9.480 -0.488 -3.616 1.00 0.00 C ATOM 936 C ASN A 137 -7.978 -0.524 -3.885 1.00 0.00 C ATOM 937 O ASN A 137 -7.418 0.420 -4.444 1.00 0.00 O ATOM 938 CB ASN A 137 -10.218 -0.102 -4.899 1.00 0.00 C ATOM 939 CG ASN A 137 -10.628 1.365 -4.850 1.00 0.00 C ATOM 940 OD1 ASN A 137 -11.525 1.734 -4.092 1.00 0.00 O ATOM 941 ND2 ASN A 137 -10.020 2.227 -5.615 1.00 0.00 N ATOM 0 H ASN A 137 -9.905 1.430 -2.887 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.822 -1.472 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.577 -0.279 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -11.101 -0.730 -5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -10.287 3.211 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.277 1.918 -6.242 1.00 0.00 H new ATOM 948 N TYR A 138 -7.324 -1.603 -3.471 1.00 0.00 N ATOM 949 CA TYR A 138 -5.881 -1.722 -3.662 1.00 0.00 C ATOM 950 C TYR A 138 -5.510 -1.755 -5.142 1.00 0.00 C ATOM 951 O TYR A 138 -4.342 -1.592 -5.493 1.00 0.00 O ATOM 952 CB TYR A 138 -5.349 -2.983 -2.975 1.00 0.00 C ATOM 953 CG TYR A 138 -6.048 -4.210 -3.513 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.600 -4.814 -4.695 1.00 0.00 C ATOM 955 CD2 TYR A 138 -7.133 -4.758 -2.819 1.00 0.00 C ATOM 956 CE1 TYR A 138 -6.240 -5.962 -5.180 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.773 -5.901 -3.302 1.00 0.00 C ATOM 958 CZ TYR A 138 -7.327 -6.506 -4.484 1.00 0.00 C ATOM 959 OH TYR A 138 -7.958 -7.636 -4.963 1.00 0.00 O ATOM 0 H TYR A 138 -7.761 -2.399 -3.007 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.423 -0.841 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.275 -3.068 -3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.504 -2.911 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.762 -4.395 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.477 -4.295 -1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.895 -6.428 -6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.612 -6.318 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.324 -8.149 -4.213 1.00 0.00 H new ATOM 969 N GLU A 139 -6.493 -1.977 -6.008 1.00 0.00 N ATOM 970 CA GLU A 139 -6.210 -2.036 -7.437 1.00 0.00 C ATOM 971 C GLU A 139 -5.597 -0.716 -7.905 1.00 0.00 C ATOM 972 O GLU A 139 -4.564 -0.710 -8.574 1.00 0.00 O ATOM 973 CB GLU A 139 -7.505 -2.320 -8.209 1.00 0.00 C ATOM 974 CG GLU A 139 -7.216 -2.418 -9.712 1.00 0.00 C ATOM 975 CD GLU A 139 -6.284 -3.593 -9.994 1.00 0.00 C ATOM 976 OE1 GLU A 139 -6.209 -4.479 -9.159 1.00 0.00 O ATOM 977 OE2 GLU A 139 -5.658 -3.587 -11.041 1.00 0.00 O ATOM 0 H GLU A 139 -7.471 -2.116 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.498 -2.839 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.951 -3.250 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.230 -1.528 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.149 -2.544 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.762 -1.492 -10.064 1.00 0.00 H new ATOM 984 N GLU A 140 -6.238 0.399 -7.561 1.00 0.00 N ATOM 985 CA GLU A 140 -5.736 1.708 -7.969 1.00 0.00 C ATOM 986 C GLU A 140 -4.341 1.949 -7.401 1.00 0.00 C ATOM 987 O GLU A 140 -3.458 2.447 -8.098 1.00 0.00 O ATOM 988 CB GLU A 140 -6.690 2.805 -7.486 1.00 0.00 C ATOM 989 CG GLU A 140 -6.196 4.173 -7.965 1.00 0.00 C ATOM 990 CD GLU A 140 -7.181 5.256 -7.544 1.00 0.00 C ATOM 991 OE1 GLU A 140 -8.174 4.917 -6.920 1.00 0.00 O ATOM 992 OE2 GLU A 140 -6.930 6.410 -7.849 1.00 0.00 O ATOM 0 H GLU A 140 -7.095 0.423 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.677 1.733 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -7.695 2.618 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.752 2.792 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.212 4.381 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.086 4.171 -9.049 1.00 0.00 H new ATOM 999 N PHE A 141 -4.145 1.575 -6.145 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.839 1.742 -5.517 1.00 0.00 C ATOM 1001 C PHE A 141 -1.793 0.969 -6.299 1.00 0.00 C ATOM 1002 O PHE A 141 -0.748 1.504 -6.645 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.868 1.233 -4.073 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.932 2.394 -3.108 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.886 3.321 -3.073 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -4.018 2.531 -2.234 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.924 4.390 -2.173 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -4.052 3.599 -1.329 1.00 0.00 C ATOM 1009 CZ PHE A 141 -3.008 4.529 -1.299 1.00 0.00 C ATOM 0 H PHE A 141 -4.860 1.160 -5.547 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.589 2.803 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.730 0.582 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.979 0.634 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.046 3.211 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.826 1.815 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.117 5.108 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.887 3.705 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.038 5.354 -0.602 1.00 0.00 H new ATOM 1019 N VAL A 142 -2.086 -0.286 -6.589 1.00 0.00 N ATOM 1020 CA VAL A 142 -1.153 -1.108 -7.341 1.00 0.00 C ATOM 1021 C VAL A 142 -0.932 -0.518 -8.727 1.00 0.00 C ATOM 1022 O VAL A 142 0.206 -0.429 -9.190 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.683 -2.537 -7.438 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -0.806 -3.344 -8.395 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.660 -3.182 -6.044 1.00 0.00 C ATOM 0 H VAL A 142 -2.951 -0.754 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.194 -1.128 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.706 -2.524 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.185 -4.364 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.825 -2.883 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.218 -3.362 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.038 -4.202 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.637 -3.197 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.289 -2.605 -5.366 1.00 0.00 H new ATOM 1035 N GLN A 143 -2.007 -0.090 -9.383 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.867 0.511 -10.701 1.00 0.00 C ATOM 1037 C GLN A 143 -1.011 1.766 -10.578 1.00 0.00 C ATOM 1038 O GLN A 143 -0.117 2.008 -11.387 1.00 0.00 O ATOM 1039 CB GLN A 143 -3.246 0.871 -11.264 1.00 0.00 C ATOM 1040 CG GLN A 143 -3.104 1.367 -12.707 1.00 0.00 C ATOM 1041 CD GLN A 143 -2.600 0.242 -13.607 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -1.489 0.315 -14.132 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -3.355 -0.803 -13.814 1.00 0.00 N ATOM 0 H GLN A 143 -2.963 -0.147 -9.032 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.391 -0.197 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.901 0.000 -11.232 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.710 1.642 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -4.066 1.729 -13.070 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -2.412 2.208 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.275 -0.862 -13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -3.024 -1.561 -14.412 1.00 0.00 H new ATOM 1052 N MET A 144 -1.278 2.541 -9.531 1.00 0.00 N ATOM 1053 CA MET A 144 -0.521 3.758 -9.260 1.00 0.00 C ATOM 1054 C MET A 144 0.943 3.409 -8.992 1.00 0.00 C ATOM 1055 O MET A 144 1.849 4.035 -9.543 1.00 0.00 O ATOM 1056 CB MET A 144 -1.169 4.483 -8.063 1.00 0.00 C ATOM 1057 CG MET A 144 -0.138 5.277 -7.260 1.00 0.00 C ATOM 1058 SD MET A 144 -0.956 6.649 -6.402 1.00 0.00 S ATOM 1059 CE MET A 144 -1.337 5.783 -4.860 1.00 0.00 C ATOM 0 H MET A 144 -2.016 2.346 -8.854 1.00 0.00 H new ATOM 0 HA MET A 144 -0.542 4.425 -10.122 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.947 5.156 -8.423 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.653 3.753 -7.414 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.355 4.626 -6.538 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.637 5.661 -7.924 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.820 6.471 -4.166 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.006 4.948 -5.067 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.415 5.408 -4.416 1.00 0.00 H new ATOM 1069 N MET A 145 1.168 2.410 -8.149 1.00 0.00 N ATOM 1070 CA MET A 145 2.524 1.982 -7.817 1.00 0.00 C ATOM 1071 C MET A 145 3.212 1.349 -9.024 1.00 0.00 C ATOM 1072 O MET A 145 4.441 1.342 -9.112 1.00 0.00 O ATOM 1073 CB MET A 145 2.485 0.975 -6.664 1.00 0.00 C ATOM 1074 CG MET A 145 2.067 1.693 -5.381 1.00 0.00 C ATOM 1075 SD MET A 145 1.955 0.491 -4.035 1.00 0.00 S ATOM 1076 CE MET A 145 1.164 1.585 -2.838 1.00 0.00 C ATOM 0 H MET A 145 0.432 1.880 -7.682 1.00 0.00 H new ATOM 0 HA MET A 145 3.093 2.862 -7.518 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.783 0.172 -6.890 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.465 0.515 -6.534 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.791 2.469 -5.132 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.106 2.188 -5.524 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.716 1.556 -1.898 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.159 2.604 -3.224 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.139 1.257 -2.667 1.00 0.00 H new ATOM 1214 N ASP B 35 1.224 -10.348 14.036 1.00 0.00 N ATOM 1215 CA ASP B 35 2.357 -11.075 14.596 1.00 0.00 C ATOM 1216 C ASP B 35 3.136 -11.793 13.500 1.00 0.00 C ATOM 1217 O ASP B 35 4.347 -11.985 13.617 1.00 0.00 O ATOM 1218 CB ASP B 35 1.867 -12.093 15.630 1.00 0.00 C ATOM 1219 CG ASP B 35 0.904 -13.082 14.980 1.00 0.00 C ATOM 1220 OD1 ASP B 35 0.604 -12.907 13.811 1.00 0.00 O ATOM 1221 OD2 ASP B 35 0.478 -13.998 15.664 1.00 0.00 O ATOM 0 HA ASP B 35 3.018 -10.356 15.079 1.00 0.00 H new ATOM 0 HB2 ASP B 35 2.716 -12.627 16.056 1.00 0.00 H new ATOM 0 HB3 ASP B 35 1.370 -11.577 16.452 1.00 0.00 H new ATOM 1226 N ALA B 36 2.446 -12.181 12.433 1.00 0.00 N ATOM 1227 CA ALA B 36 3.106 -12.864 11.330 1.00 0.00 C ATOM 1228 C ALA B 36 4.073 -11.901 10.630 1.00 0.00 C ATOM 1229 O ALA B 36 3.766 -10.718 10.486 1.00 0.00 O ATOM 1230 CB ALA B 36 2.066 -13.367 10.329 1.00 0.00 C ATOM 0 H ALA B 36 1.444 -12.036 12.310 1.00 0.00 H new ATOM 0 HA ALA B 36 3.664 -13.715 11.722 1.00 0.00 H new ATOM 0 HB1 ALA B 36 2.569 -13.877 9.507 1.00 0.00 H new ATOM 0 HB2 ALA B 36 1.388 -14.061 10.826 1.00 0.00 H new ATOM 0 HB3 ALA B 36 1.498 -12.522 9.939 1.00 0.00 H new ATOM 1236 N PRO B 37 5.225 -12.363 10.199 1.00 0.00 N ATOM 1237 CA PRO B 37 6.225 -11.488 9.518 1.00 0.00 C ATOM 1238 C PRO B 37 5.748 -11.002 8.152 1.00 0.00 C ATOM 1239 O PRO B 37 6.173 -9.950 7.676 1.00 0.00 O ATOM 1240 CB PRO B 37 7.459 -12.374 9.380 1.00 0.00 C ATOM 1241 CG PRO B 37 6.934 -13.760 9.394 1.00 0.00 C ATOM 1242 CD PRO B 37 5.709 -13.747 10.302 1.00 0.00 C ATOM 0 HA PRO B 37 6.411 -10.577 10.086 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.995 -12.164 8.455 1.00 0.00 H new ATOM 0 HB3 PRO B 37 8.159 -12.208 10.199 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.668 -14.085 8.388 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.686 -14.456 9.766 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.956 -14.462 9.971 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.967 -14.007 11.329 1.00 0.00 H new ATOM 1250 N GLU B 38 4.871 -11.780 7.525 1.00 0.00 N ATOM 1251 CA GLU B 38 4.354 -11.422 6.209 1.00 0.00 C ATOM 1252 C GLU B 38 3.546 -10.125 6.263 1.00 0.00 C ATOM 1253 O GLU B 38 3.656 -9.284 5.370 1.00 0.00 O ATOM 1254 CB GLU B 38 3.465 -12.550 5.679 1.00 0.00 C ATOM 1255 CG GLU B 38 4.320 -13.786 5.389 1.00 0.00 C ATOM 1256 CD GLU B 38 5.223 -13.527 4.188 1.00 0.00 C ATOM 1257 OE1 GLU B 38 4.957 -12.581 3.464 1.00 0.00 O ATOM 1258 OE2 GLU B 38 6.166 -14.279 4.007 1.00 0.00 O ATOM 0 H GLU B 38 4.506 -12.654 7.903 1.00 0.00 H new ATOM 0 HA GLU B 38 5.204 -11.271 5.543 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.694 -12.793 6.410 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.954 -12.228 4.772 1.00 0.00 H new ATOM 0 HG2 GLU B 38 4.924 -14.033 6.262 1.00 0.00 H new ATOM 0 HG3 GLU B 38 3.678 -14.644 5.193 1.00 0.00 H new ATOM 1265 N THR B 39 2.724 -9.969 7.300 1.00 0.00 N ATOM 1266 CA THR B 39 1.902 -8.767 7.424 1.00 0.00 C ATOM 1267 C THR B 39 2.773 -7.523 7.579 1.00 0.00 C ATOM 1268 O THR B 39 2.585 -6.534 6.873 1.00 0.00 O ATOM 1269 CB THR B 39 0.964 -8.891 8.627 1.00 0.00 C ATOM 1270 OG1 THR B 39 0.122 -10.023 8.454 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.102 -7.632 8.732 1.00 0.00 C ATOM 0 H THR B 39 2.610 -10.647 8.054 1.00 0.00 H new ATOM 0 HA THR B 39 1.312 -8.667 6.513 1.00 0.00 H new ATOM 0 HB THR B 39 1.553 -9.008 9.537 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.478 -10.105 9.224 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.567 -7.719 9.588 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.744 -6.761 8.860 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.487 -7.517 7.822 1.00 0.00 H new ATOM 1279 N GLU B 40 3.736 -7.582 8.498 1.00 0.00 N ATOM 1280 CA GLU B 40 4.632 -6.451 8.713 1.00 0.00 C ATOM 1281 C GLU B 40 5.477 -6.227 7.467 1.00 0.00 C ATOM 1282 O GLU B 40 5.665 -5.097 7.016 1.00 0.00 O ATOM 1283 CB GLU B 40 5.537 -6.720 9.918 1.00 0.00 C ATOM 1284 CG GLU B 40 6.433 -5.505 10.172 1.00 0.00 C ATOM 1285 CD GLU B 40 7.281 -5.735 11.418 1.00 0.00 C ATOM 1286 OE1 GLU B 40 7.145 -6.789 12.016 1.00 0.00 O ATOM 1287 OE2 GLU B 40 8.053 -4.853 11.755 1.00 0.00 O ATOM 0 H GLU B 40 3.913 -8.389 9.097 1.00 0.00 H new ATOM 0 HA GLU B 40 4.040 -5.557 8.912 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.932 -6.928 10.800 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.149 -7.603 9.735 1.00 0.00 H new ATOM 0 HG2 GLU B 40 7.077 -5.331 9.310 1.00 0.00 H new ATOM 0 HG3 GLU B 40 5.821 -4.612 10.298 1.00 0.00 H new ATOM 1294 N ARG B 41 5.969 -7.327 6.912 1.00 0.00 N ATOM 1295 CA ARG B 41 6.781 -7.280 5.706 1.00 0.00 C ATOM 1296 C ARG B 41 5.973 -6.706 4.547 1.00 0.00 C ATOM 1297 O ARG B 41 6.473 -5.898 3.765 1.00 0.00 O ATOM 1298 CB ARG B 41 7.265 -8.699 5.379 1.00 0.00 C ATOM 1299 CG ARG B 41 7.916 -8.773 3.989 1.00 0.00 C ATOM 1300 CD ARG B 41 9.072 -7.776 3.883 1.00 0.00 C ATOM 1301 NE ARG B 41 10.002 -7.958 4.992 1.00 0.00 N ATOM 1302 CZ ARG B 41 10.975 -7.083 5.223 1.00 0.00 C ATOM 1303 NH1 ARG B 41 11.112 -6.040 4.449 1.00 0.00 N ATOM 1304 NH2 ARG B 41 11.794 -7.265 6.223 1.00 0.00 N ATOM 0 H ARG B 41 5.818 -8.266 7.281 1.00 0.00 H new ATOM 0 HA ARG B 41 7.643 -6.632 5.867 1.00 0.00 H new ATOM 0 HB2 ARG B 41 7.982 -9.022 6.134 1.00 0.00 H new ATOM 0 HB3 ARG B 41 6.423 -9.390 5.423 1.00 0.00 H new ATOM 0 HG2 ARG B 41 8.282 -9.783 3.806 1.00 0.00 H new ATOM 0 HG3 ARG B 41 7.172 -8.559 3.221 1.00 0.00 H new ATOM 0 HD2 ARG B 41 9.594 -7.913 2.936 1.00 0.00 H new ATOM 0 HD3 ARG B 41 8.684 -6.757 3.888 1.00 0.00 H new ATOM 0 HE ARG B 41 9.904 -8.771 5.600 1.00 0.00 H new ATOM 0 HH11 ARG B 41 10.472 -5.897 3.668 1.00 0.00 H new ATOM 0 HH12 ARG B 41 11.859 -5.368 4.626 1.00 0.00 H new ATOM 0 HH21 ARG B 41 11.687 -8.079 6.828 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.541 -6.593 6.400 1.00 0.00 H new ATOM 1318 N ALA B 42 4.720 -7.137 4.446 1.00 0.00 N ATOM 1319 CA ALA B 42 3.843 -6.669 3.381 1.00 0.00 C ATOM 1320 C ALA B 42 3.660 -5.159 3.466 1.00 0.00 C ATOM 1321 O ALA B 42 3.646 -4.467 2.447 1.00 0.00 O ATOM 1322 CB ALA B 42 2.482 -7.357 3.494 1.00 0.00 C ATOM 0 H ALA B 42 4.291 -7.806 5.085 1.00 0.00 H new ATOM 0 HA ALA B 42 4.298 -6.914 2.421 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.829 -7.004 2.696 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.611 -8.436 3.407 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.034 -7.122 4.460 1.00 0.00 H new ATOM 1328 N ALA B 43 3.524 -4.652 4.686 1.00 0.00 N ATOM 1329 CA ALA B 43 3.347 -3.220 4.886 1.00 0.00 C ATOM 1330 C ALA B 43 4.560 -2.457 4.361 1.00 0.00 C ATOM 1331 O ALA B 43 4.423 -1.399 3.750 1.00 0.00 O ATOM 1332 CB ALA B 43 3.160 -2.916 6.377 1.00 0.00 C ATOM 0 H ALA B 43 3.533 -5.205 5.543 1.00 0.00 H new ATOM 0 HA ALA B 43 2.460 -2.902 4.338 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.029 -1.843 6.516 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.279 -3.440 6.748 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.039 -3.248 6.929 1.00 0.00 H new ATOM 1338 N VAL B 44 5.746 -3.000 4.612 1.00 0.00 N ATOM 1339 CA VAL B 44 6.980 -2.357 4.171 1.00 0.00 C ATOM 1340 C VAL B 44 7.041 -2.245 2.649 1.00 0.00 C ATOM 1341 O VAL B 44 7.394 -1.194 2.114 1.00 0.00 O ATOM 1342 CB VAL B 44 8.184 -3.158 4.669 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.460 -2.615 4.024 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.288 -3.027 6.190 1.00 0.00 C ATOM 0 H VAL B 44 5.880 -3.877 5.115 1.00 0.00 H new ATOM 0 HA VAL B 44 7.001 -1.350 4.588 1.00 0.00 H new ATOM 0 HB VAL B 44 8.059 -4.207 4.401 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.318 -3.186 4.379 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.387 -2.706 2.940 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.586 -1.566 4.293 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.146 -3.597 6.547 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.414 -1.978 6.457 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.379 -3.412 6.651 1.00 0.00 H new ATOM 1354 N ALA B 45 6.710 -3.329 1.955 1.00 0.00 N ATOM 1355 CA ALA B 45 6.752 -3.324 0.495 1.00 0.00 C ATOM 1356 C ALA B 45 5.790 -2.288 -0.076 1.00 0.00 C ATOM 1357 O ALA B 45 6.136 -1.545 -0.994 1.00 0.00 O ATOM 1358 CB ALA B 45 6.386 -4.711 -0.040 1.00 0.00 C ATOM 0 H ALA B 45 6.413 -4.211 2.372 1.00 0.00 H new ATOM 0 HA ALA B 45 7.764 -3.065 0.185 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.419 -4.701 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.097 -5.446 0.338 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.381 -4.975 0.290 1.00 0.00 H new ATOM 1364 N ILE B 46 4.586 -2.238 0.479 1.00 0.00 N ATOM 1365 CA ILE B 46 3.584 -1.283 0.023 1.00 0.00 C ATOM 1366 C ILE B 46 4.057 0.144 0.281 1.00 0.00 C ATOM 1367 O ILE B 46 3.971 1.009 -0.591 1.00 0.00 O ATOM 1368 CB ILE B 46 2.265 -1.550 0.746 1.00 0.00 C ATOM 1369 CG1 ILE B 46 1.705 -2.889 0.263 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.264 -0.437 0.435 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.560 -3.323 1.171 1.00 0.00 C ATOM 0 H ILE B 46 4.281 -2.843 1.241 1.00 0.00 H new ATOM 0 HA ILE B 46 3.433 -1.401 -1.050 1.00 0.00 H new ATOM 0 HB ILE B 46 2.436 -1.580 1.822 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.353 -2.798 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.490 -3.645 0.265 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.326 -0.635 0.954 1.00 0.00 H new ATOM 0 HG22 ILE B 46 1.668 0.519 0.768 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.083 -0.400 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.163 -4.277 0.825 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.926 -3.431 2.192 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -0.229 -2.571 1.146 1.00 0.00 H new ATOM 1383 N GLN B 47 4.573 0.372 1.484 1.00 0.00 N ATOM 1384 CA GLN B 47 5.080 1.686 1.863 1.00 0.00 C ATOM 1385 C GLN B 47 6.270 2.066 0.993 1.00 0.00 C ATOM 1386 O GLN B 47 6.424 3.222 0.603 1.00 0.00 O ATOM 1387 CB GLN B 47 5.504 1.666 3.328 1.00 0.00 C ATOM 1388 CG GLN B 47 4.265 1.584 4.218 1.00 0.00 C ATOM 1389 CD GLN B 47 4.690 1.311 5.651 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.674 0.608 5.875 1.00 0.00 O ATOM 1391 NE2 GLN B 47 4.015 1.836 6.636 1.00 0.00 N ATOM 0 H GLN B 47 4.651 -0.336 2.214 1.00 0.00 H new ATOM 0 HA GLN B 47 4.290 2.423 1.720 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.157 0.814 3.517 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.075 2.564 3.564 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.703 2.517 4.165 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.603 0.793 3.866 1.00 0.00 H new ATOM 0 HE21 GLN B 47 3.200 2.418 6.443 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.302 1.665 7.600 1.00 0.00 H new ATOM 1400 N SER B 48 7.111 1.081 0.694 1.00 0.00 N ATOM 1401 CA SER B 48 8.287 1.327 -0.128 1.00 0.00 C ATOM 1402 C SER B 48 7.868 1.848 -1.496 1.00 0.00 C ATOM 1403 O SER B 48 8.475 2.776 -2.027 1.00 0.00 O ATOM 1404 CB SER B 48 9.089 0.036 -0.292 1.00 0.00 C ATOM 1405 OG SER B 48 9.612 -0.356 0.969 1.00 0.00 O ATOM 0 H SER B 48 7.001 0.116 1.005 1.00 0.00 H new ATOM 0 HA SER B 48 8.909 2.075 0.363 1.00 0.00 H new ATOM 0 HB2 SER B 48 8.453 -0.752 -0.695 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.900 0.187 -1.004 1.00 0.00 H new ATOM 0 HG SER B 48 8.874 -0.533 1.589 1.00 0.00 H new ATOM 1411 N GLN B 49 6.816 1.258 -2.059 1.00 0.00 N ATOM 1412 CA GLN B 49 6.329 1.695 -3.360 1.00 0.00 C ATOM 1413 C GLN B 49 5.832 3.135 -3.288 1.00 0.00 C ATOM 1414 O GLN B 49 6.054 3.928 -4.203 1.00 0.00 O ATOM 1415 CB GLN B 49 5.172 0.815 -3.829 1.00 0.00 C ATOM 1416 CG GLN B 49 5.666 -0.578 -4.200 1.00 0.00 C ATOM 1417 CD GLN B 49 4.490 -1.393 -4.717 1.00 0.00 C ATOM 1418 OE1 GLN B 49 3.559 -1.687 -3.966 1.00 0.00 O ATOM 1419 NE2 GLN B 49 4.466 -1.762 -5.967 1.00 0.00 N ATOM 0 H GLN B 49 6.293 0.488 -1.641 1.00 0.00 H new ATOM 0 HA GLN B 49 7.159 1.620 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN B 49 4.423 0.742 -3.041 1.00 0.00 H new ATOM 0 HB3 GLN B 49 4.686 1.274 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.444 -0.513 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.110 -1.065 -3.332 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.239 -1.517 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.675 -2.296 -6.326 1.00 0.00 H new ATOM 1428 N PHE B 50 5.144 3.458 -2.198 1.00 0.00 N ATOM 1429 CA PHE B 50 4.598 4.797 -2.020 1.00 0.00 C ATOM 1430 C PHE B 50 5.707 5.845 -2.024 1.00 0.00 C ATOM 1431 O PHE B 50 5.606 6.858 -2.716 1.00 0.00 O ATOM 1432 CB PHE B 50 3.796 4.874 -0.715 1.00 0.00 C ATOM 1433 CG PHE B 50 3.282 6.282 -0.518 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.386 6.834 -1.444 1.00 0.00 C ATOM 1435 CD2 PHE B 50 3.715 7.046 0.576 1.00 0.00 C ATOM 1436 CE1 PHE B 50 1.921 8.143 -1.277 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.250 8.357 0.738 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.353 8.904 -0.186 1.00 0.00 C ATOM 0 H PHE B 50 4.952 2.815 -1.430 1.00 0.00 H new ATOM 0 HA PHE B 50 3.931 5.007 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE B 50 2.962 4.173 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.424 4.584 0.127 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.054 6.248 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.405 6.624 1.292 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.229 8.566 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.585 8.947 1.578 1.00 0.00 H new ATOM 0 HZ PHE B 50 1.994 9.914 -0.057 1.00 0.00 H new ATOM 1448 N ARG B 51 6.763 5.603 -1.254 1.00 0.00 N ATOM 1449 CA ARG B 51 7.871 6.549 -1.194 1.00 0.00 C ATOM 1450 C ARG B 51 8.538 6.685 -2.562 1.00 0.00 C ATOM 1451 O ARG B 51 8.887 7.786 -2.987 1.00 0.00 O ATOM 1452 CB ARG B 51 8.905 6.087 -0.166 1.00 0.00 C ATOM 1453 CG ARG B 51 8.325 6.226 1.243 1.00 0.00 C ATOM 1454 CD ARG B 51 9.306 5.635 2.257 1.00 0.00 C ATOM 1455 NE ARG B 51 9.412 4.192 2.077 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.296 3.479 2.768 1.00 0.00 C ATOM 1457 NH1 ARG B 51 11.089 4.072 3.617 1.00 0.00 N ATOM 1458 NH2 ARG B 51 10.371 2.188 2.595 1.00 0.00 N ATOM 0 H ARG B 51 6.875 4.773 -0.671 1.00 0.00 H new ATOM 0 HA ARG B 51 7.474 7.519 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG B 51 9.183 5.050 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.814 6.682 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG B 51 8.139 7.276 1.470 1.00 0.00 H new ATOM 0 HG3 ARG B 51 7.366 5.712 1.306 1.00 0.00 H new ATOM 0 HD2 ARG B 51 10.286 6.096 2.136 1.00 0.00 H new ATOM 0 HD3 ARG B 51 8.971 5.858 3.270 1.00 0.00 H new ATOM 0 HE ARG B 51 8.799 3.722 1.411 1.00 0.00 H new ATOM 0 HH11 ARG B 51 11.030 5.082 3.750 1.00 0.00 H new ATOM 0 HH12 ARG B 51 11.768 3.526 4.148 1.00 0.00 H new ATOM 0 HH21 ARG B 51 9.751 1.726 1.930 1.00 0.00 H new ATOM 0 HH22 ARG B 51 11.049 1.641 3.125 1.00 0.00 H new ATOM 1472 N LYS B 52 8.711 5.559 -3.247 1.00 0.00 N ATOM 1473 CA LYS B 52 9.331 5.571 -4.568 1.00 0.00 C ATOM 1474 C LYS B 52 8.444 6.284 -5.587 1.00 0.00 C ATOM 1475 O LYS B 52 8.937 7.007 -6.452 1.00 0.00 O ATOM 1476 CB LYS B 52 9.606 4.139 -5.038 1.00 0.00 C ATOM 1477 CG LYS B 52 10.748 3.534 -4.208 1.00 0.00 C ATOM 1478 CD LYS B 52 11.180 2.184 -4.796 1.00 0.00 C ATOM 1479 CE LYS B 52 10.115 1.116 -4.528 1.00 0.00 C ATOM 1480 NZ LYS B 52 10.639 -0.217 -4.938 1.00 0.00 N ATOM 0 H LYS B 52 8.434 4.636 -2.914 1.00 0.00 H new ATOM 0 HA LYS B 52 10.273 6.114 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS B 52 8.706 3.532 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.871 4.137 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS B 52 11.596 4.219 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS B 52 10.425 3.401 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS B 52 11.342 2.283 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS B 52 12.130 1.877 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS B 52 9.852 1.106 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS B 52 9.205 1.347 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 9.918 -0.944 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 10.869 -0.203 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 11.496 -0.436 -4.391 1.00 0.00 H new ATOM 1494 N PHE B 53 7.135 6.063 -5.489 1.00 0.00 N ATOM 1495 CA PHE B 53 6.194 6.678 -6.421 1.00 0.00 C ATOM 1496 C PHE B 53 6.277 8.201 -6.353 1.00 0.00 C ATOM 1497 O PHE B 53 6.392 8.869 -7.381 1.00 0.00 O ATOM 1498 CB PHE B 53 4.769 6.232 -6.086 1.00 0.00 C ATOM 1499 CG PHE B 53 3.795 6.859 -7.056 1.00 0.00 C ATOM 1500 CD1 PHE B 53 3.494 6.215 -8.264 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.182 8.079 -6.743 1.00 0.00 C ATOM 1502 CE1 PHE B 53 2.582 6.790 -9.159 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.270 8.654 -7.637 1.00 0.00 C ATOM 1504 CZ PHE B 53 1.970 8.010 -8.845 1.00 0.00 C ATOM 0 H PHE B 53 6.705 5.468 -4.781 1.00 0.00 H new ATOM 0 HA PHE B 53 6.454 6.359 -7.430 1.00 0.00 H new ATOM 0 HB2 PHE B 53 4.697 5.146 -6.136 1.00 0.00 H new ATOM 0 HB3 PHE B 53 4.518 6.522 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE B 53 3.966 5.274 -8.505 1.00 0.00 H new ATOM 0 HD2 PHE B 53 3.413 8.576 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE B 53 2.351 6.293 -10.090 1.00 0.00 H new ATOM 0 HE2 PHE B 53 1.797 9.595 -7.395 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.267 8.454 -9.534 1.00 0.00 H new ATOM 1514 N GLN B 54 6.221 8.747 -5.141 1.00 0.00 N ATOM 1515 CA GLN B 54 6.295 10.193 -4.968 1.00 0.00 C ATOM 1516 C GLN B 54 7.709 10.697 -5.242 1.00 0.00 C ATOM 1517 O GLN B 54 7.898 11.829 -5.686 1.00 0.00 O ATOM 1518 CB GLN B 54 5.867 10.577 -3.548 1.00 0.00 C ATOM 1519 CG GLN B 54 6.821 9.949 -2.531 1.00 0.00 C ATOM 1520 CD GLN B 54 6.347 10.250 -1.114 1.00 0.00 C ATOM 1521 OE1 GLN B 54 5.277 9.796 -0.707 1.00 0.00 O ATOM 1522 NE2 GLN B 54 7.083 10.993 -0.333 1.00 0.00 N ATOM 0 H GLN B 54 6.126 8.217 -4.275 1.00 0.00 H new ATOM 0 HA GLN B 54 5.617 10.660 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN B 54 5.867 11.662 -3.439 1.00 0.00 H new ATOM 0 HB3 GLN B 54 4.848 10.238 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN B 54 6.871 8.871 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN B 54 7.828 10.339 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN B 54 7.969 11.368 -0.672 1.00 0.00 H new ATOM 0 HE22 GLN B 54 6.772 11.199 0.617 1.00 0.00 H new ATOM 1531 N LYS B 55 8.698 9.847 -4.981 1.00 0.00 N ATOM 1532 CA LYS B 55 10.089 10.218 -5.211 1.00 0.00 C ATOM 1533 C LYS B 55 10.318 10.519 -6.688 1.00 0.00 C ATOM 1534 O LYS B 55 10.973 11.500 -7.040 1.00 0.00 O ATOM 1535 CB LYS B 55 11.015 9.083 -4.773 1.00 0.00 C ATOM 1536 CG LYS B 55 12.472 9.504 -4.990 1.00 0.00 C ATOM 1537 CD LYS B 55 13.423 8.494 -4.335 1.00 0.00 C ATOM 1538 CE LYS B 55 13.436 7.183 -5.130 1.00 0.00 C ATOM 1539 NZ LYS B 55 14.505 6.293 -4.597 1.00 0.00 N ATOM 0 H LYS B 55 8.563 8.905 -4.613 1.00 0.00 H new ATOM 0 HA LYS B 55 10.310 11.110 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS B 55 10.846 8.845 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS B 55 10.797 8.180 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.683 9.572 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS B 55 12.638 10.495 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.430 8.909 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.110 8.302 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS B 55 12.467 6.690 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS B 55 13.610 7.387 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 14.516 5.403 -5.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.427 6.765 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 14.319 6.089 -3.594 1.00 0.00 H new