USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 114 TYR OH : rot -54:sc= 0.604 USER MOD Set 1.2: A 118 GLN : amide:sc= 0.543 K(o=1.1,f=0.39) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.153) USER MOD Single : A 83 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.34) USER MOD Single : A 88 ASN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -138:sc= 0.202 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.324 USER MOD Single : A 109 MET CE :methyl 167:sc= -0.0013 (180deg=-0.152) USER MOD Single : A 113 SER OG : rot 121:sc= 0.364 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0.865 K(o=0.86,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -2.83! K(o=-2.8!,f=-2) USER MOD Single : A 131 THR OG1 : rot 78:sc= 1.03 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 MET CE :methyl 168:sc= -2.49! (180deg=-3.12!) USER MOD Single : A 139 SER OG : rot 180:sc= 0.0773 USER MOD Single : A 141 CYS SG : rot 180:sc= -0.31 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 145 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 1.114 5.443 4.091 1.00 0.00 N ATOM 53 CA TRP A 64 2.186 5.789 3.181 1.00 0.00 C ATOM 54 C TRP A 64 1.739 7.029 2.416 1.00 0.00 C ATOM 55 O TRP A 64 0.563 7.406 2.457 1.00 0.00 O ATOM 56 CB TRP A 64 2.546 4.609 2.272 1.00 0.00 C ATOM 57 CG TRP A 64 1.472 3.979 1.432 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.841 2.829 1.756 1.00 0.00 C ATOM 59 CD2 TRP A 64 1.003 4.323 0.087 1.00 0.00 C ATOM 60 NE1 TRP A 64 0.035 2.426 0.713 1.00 0.00 N ATOM 61 CE2 TRP A 64 0.161 3.266 -0.370 1.00 0.00 C ATOM 62 CE3 TRP A 64 1.223 5.385 -0.821 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -0.356 3.226 -1.671 1.00 0.00 C ATOM 64 CZ3 TRP A 64 0.750 5.330 -2.147 1.00 0.00 C ATOM 65 CH2 TRP A 64 -0.033 4.245 -2.581 1.00 0.00 C ATOM 0 HA TRP A 64 3.107 6.014 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 64 3.336 4.942 1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 64 2.972 3.827 2.901 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.952 2.304 2.693 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.576 1.610 0.740 1.00 0.00 H new ATOM 0 HE3 TRP A 64 1.766 6.258 -0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.001 2.414 -1.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.990 6.127 -2.835 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.382 4.196 -3.602 1.00 0.00 H new ATOM 76 N GLY A 65 2.674 7.660 1.709 1.00 0.00 N ATOM 77 CA GLY A 65 2.375 8.851 0.939 1.00 0.00 C ATOM 78 C GLY A 65 3.595 9.248 0.126 1.00 0.00 C ATOM 79 O GLY A 65 3.842 8.676 -0.930 1.00 0.00 O ATOM 0 H GLY A 65 3.647 7.360 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.528 8.666 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.088 9.665 1.605 1.00 0.00 H new ATOM 83 N ARG A 66 4.418 10.163 0.653 1.00 0.00 N ATOM 84 CA ARG A 66 5.621 10.666 -0.026 1.00 0.00 C ATOM 85 C ARG A 66 6.618 9.552 -0.331 1.00 0.00 C ATOM 86 O ARG A 66 7.419 9.711 -1.246 1.00 0.00 O ATOM 87 CB ARG A 66 6.338 11.756 0.792 1.00 0.00 C ATOM 88 CG ARG A 66 5.447 12.947 1.173 1.00 0.00 C ATOM 89 CD ARG A 66 6.259 14.125 1.734 1.00 0.00 C ATOM 90 NE ARG A 66 6.899 14.902 0.660 1.00 0.00 N ATOM 91 CZ ARG A 66 6.286 15.729 -0.194 1.00 0.00 C ATOM 92 NH1 ARG A 66 4.984 16.004 -0.079 1.00 0.00 N ATOM 93 NH2 ARG A 66 6.993 16.281 -1.170 1.00 0.00 N ATOM 0 H ARG A 66 4.267 10.580 1.572 1.00 0.00 H new ATOM 0 HA ARG A 66 5.266 11.096 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.735 11.308 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.190 12.123 0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.890 13.277 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.714 12.628 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.604 14.775 2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.022 13.750 2.417 1.00 0.00 H new ATOM 0 HE ARG A 66 7.909 14.800 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.438 15.580 0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.536 16.638 -0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.987 16.073 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.543 16.914 -1.831 1.00 0.00 H new ATOM 107 N LEU A 67 6.550 8.430 0.393 1.00 0.00 N ATOM 108 CA LEU A 67 7.312 7.210 0.140 1.00 0.00 C ATOM 109 C LEU A 67 7.312 6.883 -1.353 1.00 0.00 C ATOM 110 O LEU A 67 8.384 6.686 -1.924 1.00 0.00 O ATOM 111 CB LEU A 67 6.750 6.039 0.975 1.00 0.00 C ATOM 112 CG LEU A 67 7.421 5.872 2.348 1.00 0.00 C ATOM 113 CD1 LEU A 67 7.252 7.095 3.248 1.00 0.00 C ATOM 114 CD2 LEU A 67 6.935 4.598 3.051 1.00 0.00 C ATOM 0 H LEU A 67 5.936 8.347 1.204 1.00 0.00 H new ATOM 0 HA LEU A 67 8.346 7.370 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.680 6.191 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.867 5.114 0.410 1.00 0.00 H new ATOM 0 HG LEU A 67 8.490 5.775 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.747 6.916 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.697 7.966 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.191 7.277 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.427 4.507 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.856 4.651 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.176 3.730 2.438 1.00 0.00 H new ATOM 126 N ALA A 68 6.131 6.883 -1.987 1.00 0.00 N ATOM 127 CA ALA A 68 5.967 6.518 -3.383 1.00 0.00 C ATOM 128 C ALA A 68 6.784 7.431 -4.301 1.00 0.00 C ATOM 129 O ALA A 68 7.206 6.950 -5.337 1.00 0.00 O ATOM 130 CB ALA A 68 4.488 6.551 -3.809 1.00 0.00 C ATOM 0 H ALA A 68 5.257 7.142 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 68 6.336 5.497 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.406 6.272 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.919 5.848 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.091 7.556 -3.668 1.00 0.00 H new ATOM 136 N CYS A 69 7.056 8.695 -3.962 1.00 0.00 N ATOM 137 CA CYS A 69 7.821 9.619 -4.802 1.00 0.00 C ATOM 138 C CYS A 69 9.219 9.046 -5.074 1.00 0.00 C ATOM 139 O CYS A 69 9.591 8.795 -6.223 1.00 0.00 O ATOM 140 CB CYS A 69 7.878 10.987 -4.104 1.00 0.00 C ATOM 141 SG CYS A 69 8.683 12.236 -5.137 1.00 0.00 S ATOM 0 H CYS A 69 6.746 9.110 -3.083 1.00 0.00 H new ATOM 0 HA CYS A 69 7.337 9.749 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.867 11.313 -3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 69 8.418 10.892 -3.162 1.00 0.00 H new ATOM 0 HG CYS A 69 8.705 13.372 -4.506 1.00 0.00 H new ATOM 147 N TYR A 70 9.970 8.755 -4.008 1.00 0.00 N ATOM 148 CA TYR A 70 11.299 8.139 -4.078 1.00 0.00 C ATOM 149 C TYR A 70 11.256 6.750 -4.739 1.00 0.00 C ATOM 150 O TYR A 70 12.279 6.210 -5.156 1.00 0.00 O ATOM 151 CB TYR A 70 11.888 8.031 -2.661 1.00 0.00 C ATOM 152 CG TYR A 70 11.841 9.317 -1.854 1.00 0.00 C ATOM 153 CD1 TYR A 70 12.908 10.235 -1.908 1.00 0.00 C ATOM 154 CD2 TYR A 70 10.710 9.604 -1.063 1.00 0.00 C ATOM 155 CE1 TYR A 70 12.846 11.437 -1.180 1.00 0.00 C ATOM 156 CE2 TYR A 70 10.634 10.809 -0.346 1.00 0.00 C ATOM 157 CZ TYR A 70 11.705 11.728 -0.399 1.00 0.00 C ATOM 158 OH TYR A 70 11.645 12.876 0.331 1.00 0.00 O ATOM 0 H TYR A 70 9.666 8.945 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 70 11.932 8.774 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.348 7.256 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.925 7.704 -2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.777 10.015 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.898 8.894 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.669 12.136 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.758 11.033 0.245 1.00 0.00 H new ATOM 0 HH TYR A 70 10.789 12.917 0.807 1.00 0.00 H new ATOM 168 N LEU A 71 10.060 6.171 -4.848 1.00 0.00 N ATOM 169 CA LEU A 71 9.765 4.835 -5.339 1.00 0.00 C ATOM 170 C LEU A 71 9.098 4.875 -6.724 1.00 0.00 C ATOM 171 O LEU A 71 8.782 3.823 -7.286 1.00 0.00 O ATOM 172 CB LEU A 71 8.902 4.146 -4.263 1.00 0.00 C ATOM 173 CG LEU A 71 9.612 3.163 -3.314 1.00 0.00 C ATOM 174 CD1 LEU A 71 11.049 3.530 -2.929 1.00 0.00 C ATOM 175 CD2 LEU A 71 8.766 2.952 -2.053 1.00 0.00 C ATOM 0 H LEU A 71 9.211 6.666 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 71 10.678 4.260 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.434 4.922 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.099 3.608 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 71 9.706 2.239 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.452 2.770 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.664 3.584 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.055 4.497 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.274 2.256 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.627 3.906 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.794 2.544 -2.331 1.00 0.00 H new ATOM 187 N GLU A 72 8.904 6.060 -7.306 1.00 0.00 N ATOM 188 CA GLU A 72 8.235 6.291 -8.583 1.00 0.00 C ATOM 189 C GLU A 72 9.252 6.678 -9.654 1.00 0.00 C ATOM 190 O GLU A 72 8.924 6.594 -10.837 1.00 0.00 O ATOM 191 CB GLU A 72 7.202 7.429 -8.452 1.00 0.00 C ATOM 192 CG GLU A 72 5.773 6.996 -8.081 1.00 0.00 C ATOM 193 CD GLU A 72 4.884 8.182 -7.656 1.00 0.00 C ATOM 194 OE1 GLU A 72 5.299 9.361 -7.809 1.00 0.00 O ATOM 195 OE2 GLU A 72 3.733 7.945 -7.223 1.00 0.00 O ATOM 0 H GLU A 72 9.226 6.927 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 72 7.731 5.368 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.556 8.131 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.164 7.970 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.317 6.493 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.817 6.271 -7.269 1.00 0.00 H new ATOM 202 N PHE A 73 10.467 7.101 -9.286 1.00 0.00 N ATOM 203 CA PHE A 73 11.492 7.473 -10.260 1.00 0.00 C ATOM 204 C PHE A 73 12.043 6.241 -11.000 1.00 0.00 C ATOM 205 O PHE A 73 12.397 6.342 -12.177 1.00 0.00 O ATOM 206 CB PHE A 73 12.604 8.305 -9.590 1.00 0.00 C ATOM 207 CG PHE A 73 13.853 7.518 -9.261 1.00 0.00 C ATOM 208 CD1 PHE A 73 13.862 6.690 -8.128 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.965 7.549 -10.127 1.00 0.00 C ATOM 210 CE1 PHE A 73 14.954 5.841 -7.889 1.00 0.00 C ATOM 211 CE2 PHE A 73 16.068 6.714 -9.876 1.00 0.00 C ATOM 212 CZ PHE A 73 16.046 5.833 -8.780 1.00 0.00 C ATOM 0 H PHE A 73 10.763 7.193 -8.314 1.00 0.00 H new ATOM 0 HA PHE A 73 11.029 8.104 -11.019 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.871 9.131 -10.249 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.212 8.743 -8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.029 6.706 -7.440 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.970 8.212 -10.980 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.957 5.195 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.931 6.749 -10.524 1.00 0.00 H new ATOM 0 HZ PHE A 73 16.867 5.149 -8.621 1.00 0.00 H new ATOM 222 N LEU A 74 12.099 5.087 -10.321 1.00 0.00 N ATOM 223 CA LEU A 74 12.678 3.839 -10.812 1.00 0.00 C ATOM 224 C LEU A 74 11.598 2.865 -11.246 1.00 0.00 C ATOM 225 O LEU A 74 10.426 2.981 -10.869 1.00 0.00 O ATOM 226 CB LEU A 74 13.691 3.238 -9.817 1.00 0.00 C ATOM 227 CG LEU A 74 13.229 2.674 -8.451 1.00 0.00 C ATOM 228 CD1 LEU A 74 14.452 2.444 -7.547 1.00 0.00 C ATOM 229 CD2 LEU A 74 12.166 3.480 -7.702 1.00 0.00 C ATOM 0 H LEU A 74 11.725 4.999 -9.376 1.00 0.00 H new ATOM 0 HA LEU A 74 13.258 4.067 -11.706 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.209 2.432 -10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.431 4.011 -9.609 1.00 0.00 H new ATOM 0 HG LEU A 74 12.726 1.739 -8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.125 2.047 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.127 1.733 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 74 14.972 3.389 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.927 2.982 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.546 4.481 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.266 3.552 -8.313 1.00 0.00 H new ATOM 241 N LYS A 75 12.009 1.902 -12.063 1.00 0.00 N ATOM 242 CA LYS A 75 11.195 0.785 -12.540 1.00 0.00 C ATOM 243 C LYS A 75 11.938 -0.481 -12.159 1.00 0.00 C ATOM 244 O LYS A 75 12.855 -0.415 -11.339 1.00 0.00 O ATOM 245 CB LYS A 75 10.872 0.909 -14.043 1.00 0.00 C ATOM 246 CG LYS A 75 10.048 2.175 -14.313 1.00 0.00 C ATOM 247 CD LYS A 75 9.509 2.282 -15.743 1.00 0.00 C ATOM 248 CE LYS A 75 8.621 3.529 -15.813 1.00 0.00 C ATOM 249 NZ LYS A 75 7.898 3.637 -17.095 1.00 0.00 N ATOM 0 H LYS A 75 12.961 1.875 -12.429 1.00 0.00 H new ATOM 0 HA LYS A 75 10.210 0.774 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.797 0.941 -14.618 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.319 0.030 -14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.209 2.204 -13.618 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.666 3.048 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.330 2.356 -16.457 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.939 1.391 -16.005 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.901 3.505 -14.995 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.236 4.418 -15.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.312 4.496 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.582 3.688 -17.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.289 2.803 -17.221 1.00 0.00 H new ATOM 263 N LYS A 76 11.495 -1.641 -12.652 1.00 0.00 N ATOM 264 CA LYS A 76 11.929 -2.941 -12.135 1.00 0.00 C ATOM 265 C LYS A 76 13.445 -3.090 -12.105 1.00 0.00 C ATOM 266 O LYS A 76 13.921 -3.713 -11.166 1.00 0.00 O ATOM 267 CB LYS A 76 11.300 -4.092 -12.924 1.00 0.00 C ATOM 268 CG LYS A 76 9.790 -4.205 -12.685 1.00 0.00 C ATOM 269 CD LYS A 76 8.934 -3.434 -13.705 1.00 0.00 C ATOM 270 CE LYS A 76 8.103 -4.374 -14.586 1.00 0.00 C ATOM 271 NZ LYS A 76 8.924 -5.139 -15.541 1.00 0.00 N ATOM 0 H LYS A 76 10.826 -1.705 -13.420 1.00 0.00 H new ATOM 0 HA LYS A 76 11.579 -2.987 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.487 -3.945 -13.988 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.781 -5.028 -12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.507 -5.257 -12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.563 -3.838 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.269 -2.750 -13.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.582 -2.825 -14.335 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.553 -5.068 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.364 -3.791 -15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.310 -5.757 -16.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.430 -4.482 -16.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.612 -5.719 -15.020 1.00 0.00 H new ATOM 285 N GLU A 77 14.149 -2.437 -13.034 1.00 0.00 N ATOM 286 CA GLU A 77 15.595 -2.211 -13.074 1.00 0.00 C ATOM 287 C GLU A 77 16.201 -2.202 -11.667 1.00 0.00 C ATOM 288 O GLU A 77 17.107 -2.980 -11.378 1.00 0.00 O ATOM 289 CB GLU A 77 15.862 -0.847 -13.731 1.00 0.00 C ATOM 290 CG GLU A 77 15.291 -0.670 -15.148 1.00 0.00 C ATOM 291 CD GLU A 77 15.103 0.813 -15.477 1.00 0.00 C ATOM 292 OE1 GLU A 77 14.456 1.517 -14.658 1.00 0.00 O ATOM 293 OE2 GLU A 77 15.536 1.282 -16.550 1.00 0.00 O ATOM 0 H GLU A 77 13.685 -2.020 -13.841 1.00 0.00 H new ATOM 0 HA GLU A 77 16.053 -3.020 -13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.447 -0.068 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.939 -0.687 -13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.963 -1.126 -15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.336 -1.189 -15.227 1.00 0.00 H new ATOM 300 N GLU A 78 15.655 -1.352 -10.793 1.00 0.00 N ATOM 301 CA GLU A 78 16.131 -1.118 -9.444 1.00 0.00 C ATOM 302 C GLU A 78 15.003 -1.382 -8.441 1.00 0.00 C ATOM 303 O GLU A 78 15.264 -1.853 -7.345 1.00 0.00 O ATOM 304 CB GLU A 78 16.643 0.330 -9.356 1.00 0.00 C ATOM 305 CG GLU A 78 17.913 0.628 -10.170 1.00 0.00 C ATOM 306 CD GLU A 78 19.201 0.109 -9.525 1.00 0.00 C ATOM 307 OE1 GLU A 78 19.139 -0.630 -8.525 1.00 0.00 O ATOM 308 OE2 GLU A 78 20.284 0.497 -10.029 1.00 0.00 O ATOM 0 H GLU A 78 14.836 -0.789 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 78 16.948 -1.797 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.851 0.999 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.838 0.566 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.810 0.184 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.998 1.706 -10.311 1.00 0.00 H new ATOM 315 N LEU A 79 13.725 -1.158 -8.780 1.00 0.00 N ATOM 316 CA LEU A 79 12.604 -1.412 -7.871 1.00 0.00 C ATOM 317 C LEU A 79 12.525 -2.883 -7.437 1.00 0.00 C ATOM 318 O LEU A 79 12.180 -3.182 -6.292 1.00 0.00 O ATOM 319 CB LEU A 79 11.298 -0.941 -8.544 1.00 0.00 C ATOM 320 CG LEU A 79 10.015 -0.903 -7.689 1.00 0.00 C ATOM 321 CD1 LEU A 79 9.329 -2.271 -7.614 1.00 0.00 C ATOM 322 CD2 LEU A 79 10.222 -0.280 -6.299 1.00 0.00 C ATOM 0 H LEU A 79 13.443 -0.796 -9.691 1.00 0.00 H new ATOM 0 HA LEU A 79 12.762 -0.844 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.467 0.062 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.110 -1.590 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 79 9.334 -0.231 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.431 -2.194 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.057 -2.597 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.011 -2.996 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.278 -0.286 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.964 -0.858 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.571 0.747 -6.409 1.00 0.00 H new ATOM 334 N LYS A 80 12.843 -3.819 -8.336 1.00 0.00 N ATOM 335 CA LYS A 80 12.890 -5.245 -7.990 1.00 0.00 C ATOM 336 C LYS A 80 13.981 -5.468 -6.970 1.00 0.00 C ATOM 337 O LYS A 80 13.738 -6.149 -5.977 1.00 0.00 O ATOM 338 CB LYS A 80 13.110 -6.115 -9.242 1.00 0.00 C ATOM 339 CG LYS A 80 13.499 -7.567 -8.969 1.00 0.00 C ATOM 340 CD LYS A 80 12.418 -8.398 -8.274 1.00 0.00 C ATOM 341 CE LYS A 80 13.080 -9.509 -7.463 1.00 0.00 C ATOM 342 NZ LYS A 80 13.973 -10.360 -8.278 1.00 0.00 N ATOM 0 H LYS A 80 13.072 -3.616 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 80 11.933 -5.542 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.196 -6.107 -9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.889 -5.656 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.754 -8.045 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.399 -7.578 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.818 -7.763 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.740 -8.826 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.652 -9.066 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.308 -10.131 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.247 -11.200 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.476 -10.657 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.825 -9.822 -8.536 1.00 0.00 H new ATOM 356 N GLU A 81 15.158 -4.911 -7.212 1.00 0.00 N ATOM 357 CA GLU A 81 16.256 -5.004 -6.278 1.00 0.00 C ATOM 358 C GLU A 81 15.843 -4.407 -4.946 1.00 0.00 C ATOM 359 O GLU A 81 15.916 -5.117 -3.955 1.00 0.00 O ATOM 360 CB GLU A 81 17.520 -4.412 -6.905 1.00 0.00 C ATOM 361 CG GLU A 81 18.016 -5.462 -7.899 1.00 0.00 C ATOM 362 CD GLU A 81 19.477 -5.340 -8.300 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.360 -5.183 -7.421 1.00 0.00 O ATOM 364 OE2 GLU A 81 19.777 -5.739 -9.442 1.00 0.00 O ATOM 0 H GLU A 81 15.373 -4.385 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 81 16.509 -6.041 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.304 -3.469 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.274 -4.204 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 81 17.856 -6.450 -7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 81 17.404 -5.404 -8.799 1.00 0.00 H new ATOM 371 N PHE A 82 15.256 -3.214 -4.923 1.00 0.00 N ATOM 372 CA PHE A 82 14.755 -2.568 -3.721 1.00 0.00 C ATOM 373 C PHE A 82 13.925 -3.546 -2.889 1.00 0.00 C ATOM 374 O PHE A 82 14.282 -3.832 -1.750 1.00 0.00 O ATOM 375 CB PHE A 82 13.969 -1.298 -4.101 1.00 0.00 C ATOM 376 CG PHE A 82 13.760 -0.330 -2.955 1.00 0.00 C ATOM 377 CD1 PHE A 82 12.981 -0.711 -1.848 1.00 0.00 C ATOM 378 CD2 PHE A 82 14.372 0.938 -2.972 1.00 0.00 C ATOM 379 CE1 PHE A 82 12.869 0.141 -0.743 1.00 0.00 C ATOM 380 CE2 PHE A 82 14.256 1.794 -1.863 1.00 0.00 C ATOM 381 CZ PHE A 82 13.525 1.384 -0.737 1.00 0.00 C ATOM 0 H PHE A 82 15.113 -2.657 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 82 15.593 -2.260 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.497 -0.784 -4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.996 -1.591 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.469 -1.662 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.932 1.254 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.276 -0.158 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.728 2.765 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.467 2.022 0.132 1.00 0.00 H new ATOM 391 N GLN A 83 12.828 -4.081 -3.441 1.00 0.00 N ATOM 392 CA GLN A 83 11.911 -4.902 -2.646 1.00 0.00 C ATOM 393 C GLN A 83 12.536 -6.242 -2.210 1.00 0.00 C ATOM 394 O GLN A 83 12.057 -6.849 -1.248 1.00 0.00 O ATOM 395 CB GLN A 83 10.556 -5.045 -3.373 1.00 0.00 C ATOM 396 CG GLN A 83 10.499 -5.963 -4.604 1.00 0.00 C ATOM 397 CD GLN A 83 10.209 -7.424 -4.253 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.065 -7.803 -4.035 1.00 0.00 O ATOM 399 NE2 GLN A 83 11.224 -8.267 -4.201 1.00 0.00 N ATOM 0 H GLN A 83 12.558 -3.962 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 83 11.713 -4.386 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.824 -5.407 -2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.234 -4.050 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.729 -5.600 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 83 11.448 -5.905 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.171 -7.937 -4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.061 -9.249 -3.977 1.00 0.00 H new ATOM 408 N LEU A 84 13.592 -6.714 -2.890 1.00 0.00 N ATOM 409 CA LEU A 84 14.222 -8.007 -2.640 1.00 0.00 C ATOM 410 C LEU A 84 15.377 -7.872 -1.661 1.00 0.00 C ATOM 411 O LEU A 84 15.419 -8.576 -0.651 1.00 0.00 O ATOM 412 CB LEU A 84 14.568 -8.683 -3.977 1.00 0.00 C ATOM 413 CG LEU A 84 16.042 -8.789 -4.424 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.711 -9.935 -3.665 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.179 -9.062 -5.920 1.00 0.00 C ATOM 0 H LEU A 84 14.037 -6.191 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 84 13.525 -8.680 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.165 -9.695 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.028 -8.150 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 84 16.518 -7.832 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.753 -10.017 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.665 -9.738 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.193 -10.868 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.235 -9.128 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.685 -10.002 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.715 -8.251 -6.482 1.00 0.00 H new ATOM 427 N LEU A 85 16.292 -6.950 -1.936 1.00 0.00 N ATOM 428 CA LEU A 85 17.427 -6.623 -1.097 1.00 0.00 C ATOM 429 C LEU A 85 16.933 -6.211 0.283 1.00 0.00 C ATOM 430 O LEU A 85 17.589 -6.483 1.279 1.00 0.00 O ATOM 431 CB LEU A 85 18.250 -5.506 -1.765 1.00 0.00 C ATOM 432 CG LEU A 85 18.868 -5.910 -3.122 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.475 -4.711 -3.836 1.00 0.00 C ATOM 434 CD2 LEU A 85 19.877 -7.044 -2.992 1.00 0.00 C ATOM 0 H LEU A 85 16.257 -6.389 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 85 18.074 -7.492 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.610 -4.636 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.049 -5.203 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 85 18.049 -6.288 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.901 -5.031 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.701 -3.965 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.259 -4.277 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.280 -7.287 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.689 -6.735 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.385 -7.922 -2.574 1.00 0.00 H new ATOM 446 N LEU A 86 15.715 -5.675 0.354 1.00 0.00 N ATOM 447 CA LEU A 86 15.043 -5.282 1.578 1.00 0.00 C ATOM 448 C LEU A 86 14.716 -6.515 2.410 1.00 0.00 C ATOM 449 O LEU A 86 15.126 -6.625 3.566 1.00 0.00 O ATOM 450 CB LEU A 86 13.801 -4.485 1.160 1.00 0.00 C ATOM 451 CG LEU A 86 12.786 -4.128 2.244 1.00 0.00 C ATOM 452 CD1 LEU A 86 13.424 -3.727 3.564 1.00 0.00 C ATOM 453 CD2 LEU A 86 11.958 -2.962 1.724 1.00 0.00 C ATOM 0 H LEU A 86 15.152 -5.498 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 86 15.669 -4.656 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.138 -3.557 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.282 -5.054 0.389 1.00 0.00 H new ATOM 0 HG LEU A 86 12.185 -5.014 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.644 -3.487 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 86 14.028 -4.552 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.058 -2.854 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.219 -2.678 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.612 -2.114 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.449 -3.258 0.807 1.00 0.00 H new ATOM 465 N ALA A 87 14.006 -7.479 1.819 1.00 0.00 N ATOM 466 CA ALA A 87 13.679 -8.720 2.507 1.00 0.00 C ATOM 467 C ALA A 87 14.938 -9.491 2.934 1.00 0.00 C ATOM 468 O ALA A 87 14.867 -10.258 3.893 1.00 0.00 O ATOM 469 CB ALA A 87 12.792 -9.582 1.603 1.00 0.00 C ATOM 0 H ALA A 87 13.649 -7.419 0.865 1.00 0.00 H new ATOM 0 HA ALA A 87 13.138 -8.473 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.545 -10.512 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.875 -9.041 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.324 -9.807 0.679 1.00 0.00 H new ATOM 475 N ASN A 88 16.077 -9.272 2.264 1.00 0.00 N ATOM 476 CA ASN A 88 17.374 -9.852 2.626 1.00 0.00 C ATOM 477 C ASN A 88 18.011 -9.074 3.780 1.00 0.00 C ATOM 478 O ASN A 88 18.522 -9.685 4.713 1.00 0.00 O ATOM 479 CB ASN A 88 18.338 -9.890 1.425 1.00 0.00 C ATOM 480 CG ASN A 88 18.068 -11.061 0.490 1.00 0.00 C ATOM 481 OD1 ASN A 88 18.815 -12.033 0.447 1.00 0.00 O ATOM 482 ND2 ASN A 88 16.982 -11.026 -0.263 1.00 0.00 N ATOM 0 H ASN A 88 16.122 -8.674 1.439 1.00 0.00 H new ATOM 0 HA ASN A 88 17.190 -10.878 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 88 18.253 -8.958 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 88 19.363 -9.951 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 88 16.764 -11.808 -0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.362 -10.217 -0.226 1.00 0.00 H new ATOM 489 N LYS A 89 17.961 -7.738 3.765 1.00 0.00 N ATOM 490 CA LYS A 89 18.435 -6.865 4.838 1.00 0.00 C ATOM 491 C LYS A 89 17.807 -7.272 6.162 1.00 0.00 C ATOM 492 O LYS A 89 18.504 -7.413 7.164 1.00 0.00 O ATOM 493 CB LYS A 89 18.088 -5.413 4.474 1.00 0.00 C ATOM 494 CG LYS A 89 19.004 -4.349 5.072 1.00 0.00 C ATOM 495 CD LYS A 89 19.222 -4.303 6.596 1.00 0.00 C ATOM 496 CE LYS A 89 20.530 -5.001 6.993 1.00 0.00 C ATOM 497 NZ LYS A 89 20.907 -4.743 8.400 1.00 0.00 N ATOM 0 H LYS A 89 17.575 -7.219 2.976 1.00 0.00 H new ATOM 0 HA LYS A 89 19.515 -6.955 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 89 18.106 -5.315 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.066 -5.210 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.983 -4.462 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.616 -3.377 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.244 -3.266 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.383 -4.783 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.426 -6.075 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 89 21.332 -4.662 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.796 -5.236 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.034 -3.721 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.156 -5.090 9.030 1.00 0.00 H new ATOM 511 N ALA A 90 16.486 -7.447 6.146 1.00 0.00 N ATOM 512 CA ALA A 90 15.744 -8.073 7.226 1.00 0.00 C ATOM 513 C ALA A 90 16.302 -9.468 7.469 1.00 0.00 C ATOM 514 O ALA A 90 16.891 -9.719 8.524 1.00 0.00 O ATOM 515 CB ALA A 90 14.245 -8.090 6.888 1.00 0.00 C ATOM 0 H ALA A 90 15.897 -7.151 5.367 1.00 0.00 H new ATOM 0 HA ALA A 90 15.856 -7.503 8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.694 -8.561 7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.891 -7.068 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.086 -8.653 5.969 1.00 0.00 H new ATOM 712 N LYS A 105 4.177 -8.033 -6.268 1.00 0.00 N ATOM 713 CA LYS A 105 4.820 -6.744 -6.449 1.00 0.00 C ATOM 714 C LYS A 105 4.731 -6.290 -7.891 1.00 0.00 C ATOM 715 O LYS A 105 4.900 -7.091 -8.814 1.00 0.00 O ATOM 716 CB LYS A 105 6.295 -6.761 -6.000 1.00 0.00 C ATOM 717 CG LYS A 105 7.252 -7.549 -6.926 1.00 0.00 C ATOM 718 CD LYS A 105 8.040 -6.641 -7.891 1.00 0.00 C ATOM 719 CE LYS A 105 8.654 -7.421 -9.060 1.00 0.00 C ATOM 720 NZ LYS A 105 7.717 -7.627 -10.189 1.00 0.00 N ATOM 0 HA LYS A 105 4.283 -6.037 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.649 -5.733 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.349 -7.188 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.954 -8.117 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.676 -8.271 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.377 -5.869 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.832 -6.133 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.533 -6.887 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.995 -8.391 -8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.814 -8.598 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.741 -7.474 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.937 -6.953 -10.950 1.00 0.00 H new ATOM 734 N THR A 106 4.661 -4.976 -8.086 1.00 0.00 N ATOM 735 CA THR A 106 4.987 -4.408 -9.371 1.00 0.00 C ATOM 736 C THR A 106 5.678 -3.065 -9.311 1.00 0.00 C ATOM 737 O THR A 106 6.768 -2.957 -9.884 1.00 0.00 O ATOM 738 CB THR A 106 3.779 -4.523 -10.311 1.00 0.00 C ATOM 739 OG1 THR A 106 4.229 -4.671 -11.647 1.00 0.00 O ATOM 740 CG2 THR A 106 2.757 -3.389 -10.207 1.00 0.00 C ATOM 0 H THR A 106 4.384 -4.300 -7.374 1.00 0.00 H new ATOM 0 HA THR A 106 5.778 -5.005 -9.824 1.00 0.00 H new ATOM 0 HB THR A 106 3.235 -5.409 -9.984 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.457 -4.746 -12.246 1.00 0.00 H new ATOM 0 HG21 THR A 106 1.945 -3.566 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.357 -3.352 -9.194 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.241 -2.441 -10.441 1.00 0.00 H new ATOM 748 N SER A 107 5.109 -2.087 -8.610 1.00 0.00 N ATOM 749 CA SER A 107 5.604 -0.723 -8.673 1.00 0.00 C ATOM 750 C SER A 107 5.802 -0.195 -7.262 1.00 0.00 C ATOM 751 O SER A 107 5.099 -0.620 -6.346 1.00 0.00 O ATOM 752 CB SER A 107 4.622 0.213 -9.393 1.00 0.00 C ATOM 753 OG SER A 107 4.139 -0.246 -10.639 1.00 0.00 O ATOM 0 H SER A 107 4.306 -2.218 -7.994 1.00 0.00 H new ATOM 0 HA SER A 107 6.542 -0.743 -9.228 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.770 0.390 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.111 1.175 -9.546 1.00 0.00 H new ATOM 0 HG SER A 107 3.522 0.416 -11.015 1.00 0.00 H new ATOM 759 N GLY A 108 6.688 0.781 -7.085 1.00 0.00 N ATOM 760 CA GLY A 108 7.051 1.254 -5.761 1.00 0.00 C ATOM 761 C GLY A 108 5.887 1.820 -4.947 1.00 0.00 C ATOM 762 O GLY A 108 5.834 1.585 -3.743 1.00 0.00 O ATOM 0 H GLY A 108 7.167 1.259 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.499 0.430 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.816 2.024 -5.861 1.00 0.00 H new ATOM 766 N MET A 109 4.924 2.498 -5.581 1.00 0.00 N ATOM 767 CA MET A 109 3.734 2.994 -4.887 1.00 0.00 C ATOM 768 C MET A 109 2.910 1.857 -4.252 1.00 0.00 C ATOM 769 O MET A 109 2.388 2.014 -3.154 1.00 0.00 O ATOM 770 CB MET A 109 2.904 3.866 -5.848 1.00 0.00 C ATOM 771 CG MET A 109 2.198 3.029 -6.925 1.00 0.00 C ATOM 772 SD MET A 109 1.452 3.909 -8.329 1.00 0.00 S ATOM 773 CE MET A 109 2.895 4.681 -9.105 1.00 0.00 C ATOM 0 H MET A 109 4.947 2.716 -6.577 1.00 0.00 H new ATOM 0 HA MET A 109 4.052 3.617 -4.051 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.161 4.425 -5.279 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.555 4.597 -6.327 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.921 2.316 -7.322 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.414 2.450 -6.438 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.622 5.053 -10.092 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.240 5.510 -8.487 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.693 3.945 -9.203 1.00 0.00 H new ATOM 783 N GLU A 110 2.836 0.702 -4.919 1.00 0.00 N ATOM 784 CA GLU A 110 2.043 -0.448 -4.490 1.00 0.00 C ATOM 785 C GLU A 110 2.846 -1.295 -3.490 1.00 0.00 C ATOM 786 O GLU A 110 2.327 -1.726 -2.459 1.00 0.00 O ATOM 787 CB GLU A 110 1.664 -1.212 -5.769 1.00 0.00 C ATOM 788 CG GLU A 110 0.985 -2.582 -5.591 1.00 0.00 C ATOM 789 CD GLU A 110 1.576 -3.583 -6.586 1.00 0.00 C ATOM 790 OE1 GLU A 110 2.790 -3.874 -6.428 1.00 0.00 O ATOM 791 OE2 GLU A 110 0.864 -4.028 -7.520 1.00 0.00 O ATOM 0 H GLU A 110 3.338 0.539 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 110 1.134 -0.158 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.000 -0.579 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.570 -1.357 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.128 -2.940 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.090 -2.489 -5.748 1.00 0.00 H new ATOM 798 N VAL A 111 4.150 -1.446 -3.737 1.00 0.00 N ATOM 799 CA VAL A 111 5.129 -1.989 -2.797 1.00 0.00 C ATOM 800 C VAL A 111 5.087 -1.214 -1.472 1.00 0.00 C ATOM 801 O VAL A 111 5.362 -1.804 -0.423 1.00 0.00 O ATOM 802 CB VAL A 111 6.507 -1.989 -3.491 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.686 -2.344 -2.581 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.525 -3.019 -4.641 1.00 0.00 C ATOM 0 H VAL A 111 4.566 -1.183 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 111 4.898 -3.019 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 111 6.634 -0.962 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.611 -2.318 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.746 -1.623 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.542 -3.344 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.503 -3.009 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.327 -4.014 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.758 -2.762 -5.372 1.00 0.00 H new ATOM 814 N ALA A 112 4.701 0.068 -1.483 1.00 0.00 N ATOM 815 CA ALA A 112 4.517 0.818 -0.252 1.00 0.00 C ATOM 816 C ALA A 112 3.426 0.215 0.619 1.00 0.00 C ATOM 817 O ALA A 112 3.664 -0.070 1.794 1.00 0.00 O ATOM 818 CB ALA A 112 4.289 2.308 -0.507 1.00 0.00 C ATOM 0 H ALA A 112 4.512 0.599 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 112 5.451 0.740 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.157 2.824 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.151 2.724 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.396 2.440 -1.118 1.00 0.00 H new ATOM 824 N SER A 113 2.257 -0.011 0.028 1.00 0.00 N ATOM 825 CA SER A 113 1.146 -0.688 0.668 1.00 0.00 C ATOM 826 C SER A 113 1.579 -2.047 1.212 1.00 0.00 C ATOM 827 O SER A 113 1.182 -2.421 2.317 1.00 0.00 O ATOM 828 CB SER A 113 0.013 -0.858 -0.358 1.00 0.00 C ATOM 829 OG SER A 113 -1.182 -0.245 0.090 1.00 0.00 O ATOM 0 H SER A 113 2.056 0.279 -0.929 1.00 0.00 H new ATOM 0 HA SER A 113 0.796 -0.091 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 113 0.313 -0.421 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.164 -1.919 -0.535 1.00 0.00 H new ATOM 0 HG SER A 113 -1.461 0.438 -0.555 1.00 0.00 H new ATOM 835 N TYR A 114 2.370 -2.788 0.440 1.00 0.00 N ATOM 836 CA TYR A 114 2.746 -4.148 0.803 1.00 0.00 C ATOM 837 C TYR A 114 3.622 -4.136 2.061 1.00 0.00 C ATOM 838 O TYR A 114 3.497 -5.010 2.918 1.00 0.00 O ATOM 839 CB TYR A 114 3.421 -4.832 -0.400 1.00 0.00 C ATOM 840 CG TYR A 114 4.592 -5.736 -0.064 1.00 0.00 C ATOM 841 CD1 TYR A 114 4.377 -7.084 0.275 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.901 -5.217 -0.064 1.00 0.00 C ATOM 843 CE1 TYR A 114 5.458 -7.890 0.680 1.00 0.00 C ATOM 844 CE2 TYR A 114 6.985 -6.027 0.304 1.00 0.00 C ATOM 845 CZ TYR A 114 6.768 -7.361 0.716 1.00 0.00 C ATOM 846 OH TYR A 114 7.809 -8.114 1.169 1.00 0.00 O ATOM 0 H TYR A 114 2.763 -2.466 -0.444 1.00 0.00 H new ATOM 0 HA TYR A 114 1.860 -4.733 1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.671 -5.420 -0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.766 -4.060 -1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.382 -7.501 0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.071 -4.189 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.285 -8.917 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.989 -5.630 0.272 1.00 0.00 H new ATOM 0 HH TYR A 114 7.599 -8.458 2.062 1.00 0.00 H new ATOM 856 N LEU A 115 4.509 -3.149 2.175 1.00 0.00 N ATOM 857 CA LEU A 115 5.537 -3.123 3.199 1.00 0.00 C ATOM 858 C LEU A 115 5.067 -2.437 4.477 1.00 0.00 C ATOM 859 O LEU A 115 5.457 -2.871 5.561 1.00 0.00 O ATOM 860 CB LEU A 115 6.749 -2.399 2.632 1.00 0.00 C ATOM 861 CG LEU A 115 7.999 -2.543 3.509 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.618 -3.938 3.364 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.981 -1.469 3.070 1.00 0.00 C ATOM 0 H LEU A 115 4.530 -2.342 1.552 1.00 0.00 H new ATOM 0 HA LEU A 115 5.786 -4.149 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.964 -2.787 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.512 -1.341 2.517 1.00 0.00 H new ATOM 0 HG LEU A 115 7.740 -2.422 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.502 -4.011 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.891 -4.692 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.901 -4.104 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.887 -1.537 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.231 -1.613 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.529 -0.486 3.204 1.00 0.00 H new ATOM 875 N VAL A 116 4.233 -1.393 4.389 1.00 0.00 N ATOM 876 CA VAL A 116 3.642 -0.816 5.596 1.00 0.00 C ATOM 877 C VAL A 116 2.719 -1.854 6.253 1.00 0.00 C ATOM 878 O VAL A 116 2.583 -1.846 7.473 1.00 0.00 O ATOM 879 CB VAL A 116 2.979 0.561 5.324 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.391 1.147 6.605 1.00 0.00 C ATOM 881 CG2 VAL A 116 4.030 1.578 4.841 1.00 0.00 C ATOM 0 H VAL A 116 3.959 -0.942 3.516 1.00 0.00 H new ATOM 0 HA VAL A 116 4.427 -0.586 6.317 1.00 0.00 H new ATOM 0 HB VAL A 116 2.205 0.393 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.933 2.112 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.636 0.468 7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.183 1.280 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.549 2.538 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.797 1.699 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.489 1.218 3.920 1.00 0.00 H new ATOM 891 N ALA A 117 2.156 -2.802 5.495 1.00 0.00 N ATOM 892 CA ALA A 117 1.469 -3.956 6.063 1.00 0.00 C ATOM 893 C ALA A 117 2.445 -4.886 6.796 1.00 0.00 C ATOM 894 O ALA A 117 2.157 -5.313 7.911 1.00 0.00 O ATOM 895 CB ALA A 117 0.707 -4.699 4.968 1.00 0.00 C ATOM 0 H ALA A 117 2.166 -2.787 4.475 1.00 0.00 H new ATOM 0 HA ALA A 117 0.753 -3.601 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.196 -5.560 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.027 -4.030 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.406 -5.038 4.204 1.00 0.00 H new ATOM 901 N GLN A 118 3.592 -5.209 6.186 1.00 0.00 N ATOM 902 CA GLN A 118 4.598 -6.098 6.768 1.00 0.00 C ATOM 903 C GLN A 118 5.142 -5.540 8.092 1.00 0.00 C ATOM 904 O GLN A 118 5.196 -6.279 9.076 1.00 0.00 O ATOM 905 CB GLN A 118 5.739 -6.354 5.764 1.00 0.00 C ATOM 906 CG GLN A 118 5.318 -7.119 4.493 1.00 0.00 C ATOM 907 CD GLN A 118 5.787 -8.575 4.464 1.00 0.00 C ATOM 908 OE1 GLN A 118 6.764 -8.911 3.790 1.00 0.00 O ATOM 909 NE2 GLN A 118 5.098 -9.466 5.163 1.00 0.00 N ATOM 0 H GLN A 118 3.848 -4.855 5.264 1.00 0.00 H new ATOM 0 HA GLN A 118 4.116 -7.050 6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.168 -5.396 5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.527 -6.916 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.231 -7.095 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 118 5.716 -6.601 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 118 4.293 -9.169 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.373 -10.448 5.149 1.00 0.00 H new ATOM 918 N TYR A 119 5.528 -4.261 8.134 1.00 0.00 N ATOM 919 CA TYR A 119 6.118 -3.623 9.311 1.00 0.00 C ATOM 920 C TYR A 119 5.183 -2.551 9.873 1.00 0.00 C ATOM 921 O TYR A 119 4.605 -2.719 10.943 1.00 0.00 O ATOM 922 CB TYR A 119 7.509 -3.049 8.973 1.00 0.00 C ATOM 923 CG TYR A 119 8.502 -4.085 8.495 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.559 -4.422 7.131 1.00 0.00 C ATOM 925 CD2 TYR A 119 9.355 -4.729 9.411 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.427 -5.433 6.691 1.00 0.00 C ATOM 927 CE2 TYR A 119 10.256 -5.711 8.968 1.00 0.00 C ATOM 928 CZ TYR A 119 10.281 -6.087 7.608 1.00 0.00 C ATOM 929 OH TYR A 119 11.141 -7.055 7.194 1.00 0.00 O ATOM 0 H TYR A 119 5.437 -3.631 7.337 1.00 0.00 H new ATOM 0 HA TYR A 119 6.251 -4.377 10.087 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.398 -2.285 8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 119 7.912 -2.555 9.857 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.934 -3.902 6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 119 9.316 -4.467 10.458 1.00 0.00 H new ATOM 0 HE1 TYR A 119 9.443 -5.712 5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 119 10.931 -6.179 9.669 1.00 0.00 H new ATOM 0 HH TYR A 119 11.649 -7.391 7.962 1.00 0.00 H new ATOM 939 N GLY A 120 5.085 -1.425 9.176 1.00 0.00 N ATOM 940 CA GLY A 120 4.603 -0.149 9.685 1.00 0.00 C ATOM 941 C GLY A 120 5.617 0.904 9.249 1.00 0.00 C ATOM 942 O GLY A 120 6.770 0.552 9.001 1.00 0.00 O ATOM 0 H GLY A 120 5.353 -1.376 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.614 0.078 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.513 -0.174 10.771 1.00 0.00 H new ATOM 946 N GLU A 121 5.234 2.175 9.116 1.00 0.00 N ATOM 947 CA GLU A 121 6.032 3.194 8.427 1.00 0.00 C ATOM 948 C GLU A 121 7.373 3.481 9.089 1.00 0.00 C ATOM 949 O GLU A 121 8.245 4.069 8.455 1.00 0.00 O ATOM 950 CB GLU A 121 5.230 4.474 8.167 1.00 0.00 C ATOM 951 CG GLU A 121 4.733 5.285 9.368 1.00 0.00 C ATOM 952 CD GLU A 121 5.827 6.008 10.161 1.00 0.00 C ATOM 953 OE1 GLU A 121 6.449 6.969 9.642 1.00 0.00 O ATOM 954 OE2 GLU A 121 6.062 5.624 11.326 1.00 0.00 O ATOM 0 H GLU A 121 4.353 2.531 9.487 1.00 0.00 H new ATOM 0 HA GLU A 121 6.278 2.761 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.847 5.133 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.361 4.204 7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.013 6.024 9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.199 4.616 10.043 1.00 0.00 H new ATOM 961 N GLN A 122 7.531 3.056 10.340 1.00 0.00 N ATOM 962 CA GLN A 122 8.793 2.967 11.047 1.00 0.00 C ATOM 963 C GLN A 122 9.770 2.115 10.224 1.00 0.00 C ATOM 964 O GLN A 122 10.581 2.622 9.453 1.00 0.00 O ATOM 965 CB GLN A 122 8.530 2.347 12.432 1.00 0.00 C ATOM 966 CG GLN A 122 7.637 3.173 13.355 1.00 0.00 C ATOM 967 CD GLN A 122 8.351 4.402 13.877 1.00 0.00 C ATOM 968 OE1 GLN A 122 9.037 4.336 14.894 1.00 0.00 O ATOM 969 NE2 GLN A 122 8.180 5.548 13.247 1.00 0.00 N ATOM 0 H GLN A 122 6.742 2.751 10.910 1.00 0.00 H new ATOM 0 HA GLN A 122 9.239 3.952 11.184 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.074 1.367 12.293 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.487 2.186 12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 122 6.739 3.476 12.816 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.313 2.557 14.194 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.607 5.586 12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.620 6.396 13.603 1.00 0.00 H new ATOM 978 N ARG A 123 9.681 0.790 10.370 1.00 0.00 N ATOM 979 CA ARG A 123 10.621 -0.145 9.760 1.00 0.00 C ATOM 980 C ARG A 123 10.403 -0.270 8.261 1.00 0.00 C ATOM 981 O ARG A 123 11.332 -0.660 7.560 1.00 0.00 O ATOM 982 CB ARG A 123 10.498 -1.523 10.445 1.00 0.00 C ATOM 983 CG ARG A 123 11.624 -1.768 11.448 1.00 0.00 C ATOM 984 CD ARG A 123 11.556 -0.839 12.671 1.00 0.00 C ATOM 985 NE ARG A 123 12.874 -0.331 13.076 1.00 0.00 N ATOM 986 CZ ARG A 123 13.085 0.621 13.996 1.00 0.00 C ATOM 987 NH1 ARG A 123 12.074 1.112 14.712 1.00 0.00 N ATOM 988 NH2 ARG A 123 14.308 1.090 14.200 1.00 0.00 N ATOM 0 H ARG A 123 8.950 0.337 10.918 1.00 0.00 H new ATOM 0 HA ARG A 123 11.629 0.243 9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.537 -1.589 10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.511 -2.307 9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.584 -2.804 11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.583 -1.632 10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.901 0.003 12.446 1.00 0.00 H new ATOM 0 HD3 ARG A 123 11.107 -1.378 13.506 1.00 0.00 H new ATOM 0 HE ARG A 123 13.693 -0.735 12.621 1.00 0.00 H new ATOM 0 HH11 ARG A 123 11.127 0.764 14.563 1.00 0.00 H new ATOM 0 HH12 ARG A 123 12.247 1.836 15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 123 15.091 0.727 13.656 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.466 1.814 14.900 1.00 0.00 H new ATOM 1002 N ALA A 124 9.217 0.047 7.741 1.00 0.00 N ATOM 1003 CA ALA A 124 8.998 0.064 6.303 1.00 0.00 C ATOM 1004 C ALA A 124 9.832 1.161 5.629 1.00 0.00 C ATOM 1005 O ALA A 124 10.073 1.071 4.424 1.00 0.00 O ATOM 1006 CB ALA A 124 7.502 0.216 5.992 1.00 0.00 C ATOM 0 H ALA A 124 8.398 0.294 8.296 1.00 0.00 H new ATOM 0 HA ALA A 124 9.331 -0.889 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.354 0.227 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.954 -0.621 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.135 1.150 6.418 1.00 0.00 H new ATOM 1012 N TRP A 125 10.317 2.157 6.384 1.00 0.00 N ATOM 1013 CA TRP A 125 11.256 3.135 5.871 1.00 0.00 C ATOM 1014 C TRP A 125 12.645 2.871 6.423 1.00 0.00 C ATOM 1015 O TRP A 125 13.510 2.559 5.620 1.00 0.00 O ATOM 1016 CB TRP A 125 10.719 4.563 6.025 1.00 0.00 C ATOM 1017 CG TRP A 125 10.959 5.480 4.858 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.390 6.755 4.964 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.808 5.238 3.417 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.461 7.335 3.715 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.113 6.447 2.719 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.434 4.132 2.619 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.006 6.561 1.320 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.344 4.226 1.216 1.00 0.00 C ATOM 1025 CH2 TRP A 125 10.600 5.445 0.566 1.00 0.00 C ATOM 0 H TRP A 125 10.064 2.297 7.362 1.00 0.00 H new ATOM 0 HA TRP A 125 11.365 3.026 4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.646 4.510 6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.171 5.008 6.912 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.642 7.248 5.891 1.00 0.00 H new ATOM 0 HE1 TRP A 125 11.737 8.303 3.548 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.211 3.190 3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.233 7.496 0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.076 3.355 0.636 1.00 0.00 H new ATOM 0 HH2 TRP A 125 10.486 5.525 -0.505 1.00 0.00 H new ATOM 1036 N ASP A 126 12.877 2.876 7.738 1.00 0.00 N ATOM 1037 CA ASP A 126 14.222 2.711 8.333 1.00 0.00 C ATOM 1038 C ASP A 126 15.049 1.588 7.693 1.00 0.00 C ATOM 1039 O ASP A 126 16.230 1.741 7.383 1.00 0.00 O ATOM 1040 CB ASP A 126 14.104 2.380 9.825 1.00 0.00 C ATOM 1041 CG ASP A 126 15.488 2.209 10.463 1.00 0.00 C ATOM 1042 OD1 ASP A 126 16.091 3.204 10.918 1.00 0.00 O ATOM 1043 OD2 ASP A 126 15.953 1.055 10.596 1.00 0.00 O ATOM 0 H ASP A 126 12.138 2.995 8.431 1.00 0.00 H new ATOM 0 HA ASP A 126 14.729 3.660 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.560 3.175 10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.525 1.465 9.953 1.00 0.00 H new ATOM 1048 N LEU A 127 14.403 0.439 7.490 1.00 0.00 N ATOM 1049 CA LEU A 127 15.052 -0.779 7.020 1.00 0.00 C ATOM 1050 C LEU A 127 15.331 -0.662 5.507 1.00 0.00 C ATOM 1051 O LEU A 127 16.340 -1.130 4.970 1.00 0.00 O ATOM 1052 CB LEU A 127 14.069 -1.915 7.361 1.00 0.00 C ATOM 1053 CG LEU A 127 14.638 -3.310 7.625 1.00 0.00 C ATOM 1054 CD1 LEU A 127 13.469 -4.300 7.709 1.00 0.00 C ATOM 1055 CD2 LEU A 127 15.615 -3.762 6.556 1.00 0.00 C ATOM 0 H LEU A 127 13.402 0.330 7.650 1.00 0.00 H new ATOM 0 HA LEU A 127 16.019 -0.965 7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.505 -1.613 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.357 -1.996 6.540 1.00 0.00 H new ATOM 0 HG LEU A 127 15.196 -3.275 8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 127 13.854 -5.302 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 127 12.803 -4.009 8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.918 -4.293 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 127 15.984 -4.758 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 127 15.111 -3.787 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 127 16.452 -3.066 6.511 1.00 0.00 H new ATOM 1067 N ALA A 128 14.409 -0.009 4.805 1.00 0.00 N ATOM 1068 CA ALA A 128 14.438 0.268 3.384 1.00 0.00 C ATOM 1069 C ALA A 128 15.403 1.408 3.035 1.00 0.00 C ATOM 1070 O ALA A 128 15.936 1.418 1.931 1.00 0.00 O ATOM 1071 CB ALA A 128 13.010 0.604 2.970 1.00 0.00 C ATOM 0 H ALA A 128 13.569 0.362 5.249 1.00 0.00 H new ATOM 0 HA ALA A 128 14.807 -0.602 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.982 0.821 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.360 -0.244 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.665 1.476 3.526 1.00 0.00 H new ATOM 1077 N LEU A 129 15.674 2.339 3.957 1.00 0.00 N ATOM 1078 CA LEU A 129 16.698 3.359 3.808 1.00 0.00 C ATOM 1079 C LEU A 129 18.034 2.662 3.646 1.00 0.00 C ATOM 1080 O LEU A 129 18.635 2.763 2.578 1.00 0.00 O ATOM 1081 CB LEU A 129 16.721 4.316 5.017 1.00 0.00 C ATOM 1082 CG LEU A 129 15.903 5.604 4.866 1.00 0.00 C ATOM 1083 CD1 LEU A 129 16.370 6.449 3.685 1.00 0.00 C ATOM 1084 CD2 LEU A 129 14.403 5.400 4.716 1.00 0.00 C ATOM 0 H LEU A 129 15.173 2.399 4.843 1.00 0.00 H new ATOM 0 HA LEU A 129 16.482 3.968 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.355 3.776 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.757 4.588 5.221 1.00 0.00 H new ATOM 0 HG LEU A 129 16.082 6.117 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 129 15.761 7.350 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 129 17.414 6.727 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 129 16.269 5.875 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.912 6.368 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.204 4.799 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 129 14.016 4.886 5.596 1.00 0.00 H new ATOM 1096 N HIS A 130 18.447 1.910 4.674 1.00 0.00 N ATOM 1097 CA HIS A 130 19.694 1.152 4.672 1.00 0.00 C ATOM 1098 C HIS A 130 19.862 0.372 3.365 1.00 0.00 C ATOM 1099 O HIS A 130 20.956 0.307 2.817 1.00 0.00 O ATOM 1100 CB HIS A 130 19.706 0.204 5.883 1.00 0.00 C ATOM 1101 CG HIS A 130 20.828 -0.809 5.871 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.907 -0.836 6.722 1.00 0.00 N ATOM 1103 CD2 HIS A 130 20.975 -1.842 4.983 1.00 0.00 C ATOM 1104 CE1 HIS A 130 22.687 -1.866 6.359 1.00 0.00 C ATOM 1105 NE2 HIS A 130 22.146 -2.528 5.320 1.00 0.00 N ATOM 0 H HIS A 130 17.915 1.813 5.539 1.00 0.00 H new ATOM 0 HA HIS A 130 20.534 1.843 4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.779 0.798 6.794 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.754 -0.326 5.924 1.00 0.00 H new ATOM 0 HD2 HIS A 130 20.307 -2.083 4.169 1.00 0.00 H new ATOM 0 HE1 HIS A 130 23.620 -2.128 6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 130 22.516 -3.364 4.868 1.00 0.00 H new ATOM 1113 N THR A 131 18.795 -0.246 2.862 1.00 0.00 N ATOM 1114 CA THR A 131 18.805 -1.079 1.663 1.00 0.00 C ATOM 1115 C THR A 131 19.335 -0.345 0.407 1.00 0.00 C ATOM 1116 O THR A 131 19.743 -1.015 -0.546 1.00 0.00 O ATOM 1117 CB THR A 131 17.384 -1.643 1.509 1.00 0.00 C ATOM 1118 OG1 THR A 131 17.061 -2.477 2.612 1.00 0.00 O ATOM 1119 CG2 THR A 131 17.147 -2.435 0.223 1.00 0.00 C ATOM 0 H THR A 131 17.872 -0.178 3.291 1.00 0.00 H new ATOM 0 HA THR A 131 19.517 -1.897 1.772 1.00 0.00 H new ATOM 0 HB THR A 131 16.739 -0.765 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.826 -1.921 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.118 -2.794 0.201 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.325 -1.792 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.828 -3.285 0.188 1.00 0.00 H new ATOM 1127 N TRP A 132 19.454 0.994 0.416 1.00 0.00 N ATOM 1128 CA TRP A 132 20.138 1.733 -0.648 1.00 0.00 C ATOM 1129 C TRP A 132 21.536 1.174 -0.901 1.00 0.00 C ATOM 1130 O TRP A 132 22.023 1.213 -2.030 1.00 0.00 O ATOM 1131 CB TRP A 132 20.228 3.243 -0.329 1.00 0.00 C ATOM 1132 CG TRP A 132 21.377 3.764 0.509 1.00 0.00 C ATOM 1133 CD1 TRP A 132 22.688 3.659 0.183 1.00 0.00 C ATOM 1134 CD2 TRP A 132 21.364 4.561 1.740 1.00 0.00 C ATOM 1135 NE1 TRP A 132 23.476 4.174 1.181 1.00 0.00 N ATOM 1136 CE2 TRP A 132 22.715 4.772 2.157 1.00 0.00 C ATOM 1137 CE3 TRP A 132 20.364 5.173 2.526 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 23.049 5.498 3.309 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 20.687 5.894 3.690 1.00 0.00 C ATOM 1140 CH2 TRP A 132 22.024 6.045 4.091 1.00 0.00 C ATOM 0 H TRP A 132 19.080 1.587 1.157 1.00 0.00 H new ATOM 0 HA TRP A 132 19.541 1.608 -1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 132 20.250 3.776 -1.279 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.303 3.526 0.174 1.00 0.00 H new ATOM 0 HD1 TRP A 132 23.061 3.229 -0.735 1.00 0.00 H new ATOM 0 HE1 TRP A 132 24.494 4.120 1.197 1.00 0.00 H new ATOM 0 HE3 TRP A 132 19.330 5.086 2.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 24.083 5.634 3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 19.898 6.336 4.281 1.00 0.00 H new ATOM 0 HH2 TRP A 132 22.261 6.581 4.998 1.00 0.00 H new ATOM 1151 N GLU A 133 22.197 0.719 0.164 1.00 0.00 N ATOM 1152 CA GLU A 133 23.599 0.321 0.197 1.00 0.00 C ATOM 1153 C GLU A 133 23.825 -0.880 -0.718 1.00 0.00 C ATOM 1154 O GLU A 133 24.878 -0.990 -1.344 1.00 0.00 O ATOM 1155 CB GLU A 133 23.970 0.034 1.666 1.00 0.00 C ATOM 1156 CG GLU A 133 25.385 0.451 2.086 1.00 0.00 C ATOM 1157 CD GLU A 133 26.376 -0.701 2.253 1.00 0.00 C ATOM 1158 OE1 GLU A 133 26.179 -1.575 3.124 1.00 0.00 O ATOM 1159 OE2 GLU A 133 27.499 -0.618 1.699 1.00 0.00 O ATOM 0 H GLU A 133 21.743 0.614 1.071 1.00 0.00 H new ATOM 0 HA GLU A 133 24.248 1.113 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 133 23.254 0.545 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.856 -1.035 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.779 1.144 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 133 25.322 0.996 3.028 1.00 0.00 H new ATOM 1166 N GLN A 134 22.803 -1.729 -0.835 1.00 0.00 N ATOM 1167 CA GLN A 134 22.808 -2.907 -1.686 1.00 0.00 C ATOM 1168 C GLN A 134 22.551 -2.540 -3.164 1.00 0.00 C ATOM 1169 O GLN A 134 23.056 -3.213 -4.064 1.00 0.00 O ATOM 1170 CB GLN A 134 21.749 -3.888 -1.150 1.00 0.00 C ATOM 1171 CG GLN A 134 21.932 -4.381 0.300 1.00 0.00 C ATOM 1172 CD GLN A 134 22.310 -5.862 0.362 1.00 0.00 C ATOM 1173 OE1 GLN A 134 21.463 -6.729 0.582 1.00 0.00 O ATOM 1174 NE2 GLN A 134 23.578 -6.185 0.183 1.00 0.00 N ATOM 0 H GLN A 134 21.928 -1.608 -0.324 1.00 0.00 H new ATOM 0 HA GLN A 134 23.791 -3.378 -1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 134 20.773 -3.409 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 134 21.729 -4.759 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 134 22.706 -3.789 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 134 21.009 -4.220 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 134 24.269 -5.457 0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 134 23.866 -7.162 0.226 1.00 0.00 H new ATOM 1183 N MET A 135 21.748 -1.504 -3.450 1.00 0.00 N ATOM 1184 CA MET A 135 21.417 -1.094 -4.807 1.00 0.00 C ATOM 1185 C MET A 135 22.456 -0.138 -5.413 1.00 0.00 C ATOM 1186 O MET A 135 22.645 -0.131 -6.627 1.00 0.00 O ATOM 1187 CB MET A 135 20.077 -0.367 -4.752 1.00 0.00 C ATOM 1188 CG MET A 135 18.945 -1.231 -4.181 1.00 0.00 C ATOM 1189 SD MET A 135 17.434 -0.313 -3.846 1.00 0.00 S ATOM 1190 CE MET A 135 17.137 0.108 -5.570 1.00 0.00 C ATOM 0 H MET A 135 21.310 -0.927 -2.732 1.00 0.00 H new ATOM 0 HA MET A 135 21.389 -1.986 -5.433 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.183 0.531 -4.143 1.00 0.00 H new ATOM 0 HB3 MET A 135 19.806 -0.041 -5.756 1.00 0.00 H new ATOM 0 HG2 MET A 135 18.723 -2.035 -4.883 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.287 -1.699 -3.258 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.130 0.510 -5.678 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.862 0.855 -5.892 1.00 0.00 H new ATOM 0 HE3 MET A 135 17.239 -0.786 -6.186 1.00 0.00 H new ATOM 1200 N GLY A 136 23.083 0.709 -4.591 1.00 0.00 N ATOM 1201 CA GLY A 136 24.059 1.721 -4.987 1.00 0.00 C ATOM 1202 C GLY A 136 23.498 3.149 -4.979 1.00 0.00 C ATOM 1203 O GLY A 136 24.262 4.110 -4.825 1.00 0.00 O ATOM 0 H GLY A 136 22.914 0.705 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.915 1.672 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.426 1.489 -5.987 1.00 0.00 H new ATOM 1207 N LEU A 137 22.174 3.331 -5.064 1.00 0.00 N ATOM 1208 CA LEU A 137 21.493 4.640 -5.093 1.00 0.00 C ATOM 1209 C LEU A 137 21.341 5.314 -3.713 1.00 0.00 C ATOM 1210 O LEU A 137 20.242 5.594 -3.236 1.00 0.00 O ATOM 1211 CB LEU A 137 20.353 4.805 -6.144 1.00 0.00 C ATOM 1212 CG LEU A 137 19.277 3.728 -6.241 1.00 0.00 C ATOM 1213 CD1 LEU A 137 19.730 2.549 -7.104 1.00 0.00 C ATOM 1214 CD2 LEU A 137 18.967 3.372 -4.802 1.00 0.00 C ATOM 0 H LEU A 137 21.522 2.548 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 137 22.212 5.312 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.853 5.752 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 137 20.820 4.894 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 137 18.375 4.067 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 137 18.936 1.804 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.954 2.900 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 137 20.623 2.102 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 137 18.198 2.600 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 137 19.870 3.002 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 137 18.609 4.258 -4.277 1.00 0.00 H new ATOM 1226 N ARG A 138 22.473 5.657 -3.079 1.00 0.00 N ATOM 1227 CA ARG A 138 22.496 6.355 -1.805 1.00 0.00 C ATOM 1228 C ARG A 138 21.705 7.649 -1.851 1.00 0.00 C ATOM 1229 O ARG A 138 20.805 7.789 -1.039 1.00 0.00 O ATOM 1230 CB ARG A 138 23.944 6.543 -1.340 1.00 0.00 C ATOM 1231 CG ARG A 138 24.077 7.215 0.032 1.00 0.00 C ATOM 1232 CD ARG A 138 24.187 8.731 -0.115 1.00 0.00 C ATOM 1233 NE ARG A 138 24.379 9.401 1.168 1.00 0.00 N ATOM 1234 CZ ARG A 138 24.779 10.659 1.358 1.00 0.00 C ATOM 1235 NH1 ARG A 138 24.989 11.492 0.340 1.00 0.00 N ATOM 1236 NH2 ARG A 138 24.968 11.058 2.602 1.00 0.00 N ATOM 0 H ARG A 138 23.401 5.451 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 138 21.991 5.742 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.433 5.569 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.477 7.141 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 138 23.213 6.967 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.957 6.830 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 138 25.021 8.970 -0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 138 23.284 9.114 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 138 24.188 8.850 2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 138 24.844 11.173 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 138 25.295 12.449 0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 138 24.808 10.412 3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 138 25.274 12.013 2.791 1.00 0.00 H new ATOM 1250 N SER A 139 22.035 8.594 -2.734 1.00 0.00 N ATOM 1251 CA SER A 139 21.482 9.953 -2.746 1.00 0.00 C ATOM 1252 C SER A 139 19.952 9.927 -2.726 1.00 0.00 C ATOM 1253 O SER A 139 19.330 10.658 -1.961 1.00 0.00 O ATOM 1254 CB SER A 139 22.005 10.737 -3.960 1.00 0.00 C ATOM 1255 OG SER A 139 23.262 10.241 -4.402 1.00 0.00 O ATOM 0 H SER A 139 22.711 8.433 -3.480 1.00 0.00 H new ATOM 0 HA SER A 139 21.814 10.463 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 139 21.282 10.674 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 139 22.100 11.791 -3.699 1.00 0.00 H new ATOM 0 HG SER A 139 23.565 10.760 -5.176 1.00 0.00 H new ATOM 1261 N LEU A 140 19.379 9.001 -3.502 1.00 0.00 N ATOM 1262 CA LEU A 140 17.959 8.664 -3.614 1.00 0.00 C ATOM 1263 C LEU A 140 17.274 8.649 -2.258 1.00 0.00 C ATOM 1264 O LEU A 140 16.312 9.361 -1.973 1.00 0.00 O ATOM 1265 CB LEU A 140 17.875 7.244 -4.223 1.00 0.00 C ATOM 1266 CG LEU A 140 16.788 7.010 -5.263 1.00 0.00 C ATOM 1267 CD1 LEU A 140 15.401 7.459 -4.773 1.00 0.00 C ATOM 1268 CD2 LEU A 140 17.172 7.697 -6.576 1.00 0.00 C ATOM 0 H LEU A 140 19.946 8.420 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 140 17.461 9.412 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 140 18.838 7.011 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 140 17.727 6.533 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 140 16.712 5.936 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 140 14.662 7.271 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 140 15.134 6.901 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.423 8.524 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.391 7.527 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 140 17.285 8.768 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 140 18.114 7.286 -6.940 1.00 0.00 H new ATOM 1280 N CYS A 141 17.784 7.742 -1.448 1.00 0.00 N ATOM 1281 CA CYS A 141 17.178 7.244 -0.259 1.00 0.00 C ATOM 1282 C CYS A 141 17.652 8.111 0.888 1.00 0.00 C ATOM 1283 O CYS A 141 16.854 8.469 1.738 1.00 0.00 O ATOM 1284 CB CYS A 141 17.639 5.792 -0.120 1.00 0.00 C ATOM 1285 SG CYS A 141 16.905 4.760 -1.414 1.00 0.00 S ATOM 0 H CYS A 141 18.693 7.314 -1.627 1.00 0.00 H new ATOM 0 HA CYS A 141 16.088 7.272 -0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 141 18.726 5.743 -0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 141 17.358 5.408 0.861 1.00 0.00 H new ATOM 0 HG CYS A 141 17.314 3.534 -1.275 1.00 0.00 H new ATOM 1291 N ALA A 142 18.923 8.513 0.881 1.00 0.00 N ATOM 1292 CA ALA A 142 19.450 9.538 1.749 1.00 0.00 C ATOM 1293 C ALA A 142 18.485 10.726 1.752 1.00 0.00 C ATOM 1294 O ALA A 142 17.988 11.067 2.815 1.00 0.00 O ATOM 1295 CB ALA A 142 20.871 9.907 1.313 1.00 0.00 C ATOM 0 H ALA A 142 19.623 8.118 0.252 1.00 0.00 H new ATOM 0 HA ALA A 142 19.529 9.182 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 142 21.264 10.681 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.509 9.025 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.852 10.278 0.288 1.00 0.00 H new ATOM 1301 N GLN A 143 18.133 11.310 0.598 1.00 0.00 N ATOM 1302 CA GLN A 143 17.162 12.411 0.504 1.00 0.00 C ATOM 1303 C GLN A 143 15.786 12.128 1.133 1.00 0.00 C ATOM 1304 O GLN A 143 15.047 13.061 1.464 1.00 0.00 O ATOM 1305 CB GLN A 143 16.940 12.789 -0.970 1.00 0.00 C ATOM 1306 CG GLN A 143 18.044 13.664 -1.570 1.00 0.00 C ATOM 1307 CD GLN A 143 18.054 15.089 -1.022 1.00 0.00 C ATOM 1308 OE1 GLN A 143 17.185 15.526 -0.272 1.00 0.00 O ATOM 1309 NE2 GLN A 143 19.035 15.885 -1.401 1.00 0.00 N ATOM 0 H GLN A 143 18.517 11.030 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 143 17.609 13.222 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.857 11.875 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.989 13.313 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 143 19.011 13.201 -1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 143 17.921 13.700 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 143 19.764 15.536 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 143 19.065 16.850 -1.071 1.00 0.00 H new ATOM 1318 N ALA A 144 15.417 10.865 1.340 1.00 0.00 N ATOM 1319 CA ALA A 144 14.218 10.503 2.078 1.00 0.00 C ATOM 1320 C ALA A 144 14.288 10.861 3.575 1.00 0.00 C ATOM 1321 O ALA A 144 13.246 10.841 4.238 1.00 0.00 O ATOM 1322 CB ALA A 144 13.873 9.038 1.829 1.00 0.00 C ATOM 0 H ALA A 144 15.947 10.064 0.997 1.00 0.00 H new ATOM 0 HA ALA A 144 13.399 11.112 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 144 12.973 8.776 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 144 13.699 8.881 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 144 14.700 8.408 2.158 1.00 0.00 H new ATOM 1328 N GLN A 145 15.482 11.202 4.090 1.00 0.00 N ATOM 1329 CA GLN A 145 15.768 11.589 5.466 1.00 0.00 C ATOM 1330 C GLN A 145 17.171 12.211 5.597 1.00 0.00 C ATOM 1331 O GLN A 145 17.995 11.763 6.390 1.00 0.00 O ATOM 1332 CB GLN A 145 15.471 10.472 6.462 1.00 0.00 C ATOM 1333 CG GLN A 145 15.969 9.111 6.021 1.00 0.00 C ATOM 1334 CD GLN A 145 17.170 8.631 6.794 1.00 0.00 C ATOM 1335 OE1 GLN A 145 17.192 8.553 8.011 1.00 0.00 O ATOM 1336 NE2 GLN A 145 18.204 8.331 6.041 1.00 0.00 N ATOM 0 H GLN A 145 16.322 11.213 3.511 1.00 0.00 H new ATOM 0 HA GLN A 145 15.073 12.382 5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 145 15.926 10.722 7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 145 14.394 10.419 6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 145 15.163 8.385 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.221 9.151 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 145 18.137 8.412 5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.074 8.017 6.471 1.00 0.00 H new