USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 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 141 CYS SG : rot 180:sc= -0.0874 USER MOD Set 1.2: A 145 GLN : amide:sc= -0.127 X(o=-0.21,f=0.11) USER MOD Set 2.1: A 89 LYS NZ :NH3+ -140:sc= 0.931 (180deg=0) USER MOD Set 2.2: A 134 GLN : amide:sc= 0.818 K(o=1.7,f=-3.4) USER MOD Set 3.1: A 76 LYS NZ :NH3+ 180:sc= 0.544 (180deg=0.544) USER MOD Set 3.2: A 106 THR OG1 : rot -40:sc= -0.294 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 179:sc= 0.989 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.401) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -172:sc= 0 (180deg=-0.0463) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc=-0.00328 X(o=-0.0033,f=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.097) USER MOD Single : A 130 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-3.6!) USER MOD Single : A 131 THR OG1 : rot 100:sc= 0 USER MOD Single : A 135 MET CE :methyl -116:sc= -3.92 (180deg=-10.9!) USER MOD Single : A 139 SER OG : rot 94:sc= 0.122 USER MOD Single : A 143 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 2.820 6.845 2.740 1.00 0.00 N ATOM 53 CA TRP A 64 2.180 6.939 1.456 1.00 0.00 C ATOM 54 C TRP A 64 2.451 8.330 0.923 1.00 0.00 C ATOM 55 O TRP A 64 2.906 9.213 1.661 1.00 0.00 O ATOM 56 CB TRP A 64 0.674 6.735 1.624 1.00 0.00 C ATOM 57 CG TRP A 64 0.157 5.414 1.179 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.303 4.237 1.817 1.00 0.00 C ATOM 59 CD2 TRP A 64 -0.649 5.136 0.005 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.471 3.284 1.190 1.00 0.00 N ATOM 61 CE2 TRP A 64 -1.099 3.789 0.073 1.00 0.00 C ATOM 62 CE3 TRP A 64 -1.048 5.903 -1.105 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -2.002 3.258 -0.860 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -1.896 5.360 -2.088 1.00 0.00 C ATOM 65 CH2 TRP A 64 -2.414 4.054 -1.942 1.00 0.00 C ATOM 0 HA TRP A 64 2.560 6.181 0.771 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.421 6.870 2.676 1.00 0.00 H new ATOM 0 HB3 TRP A 64 0.154 7.516 1.069 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.927 4.067 2.682 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.567 2.322 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.699 6.920 -1.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.376 2.251 -0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -2.152 5.945 -2.959 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.124 3.669 -2.659 1.00 0.00 H new ATOM 76 N GLY A 65 2.144 8.537 -0.346 1.00 0.00 N ATOM 77 CA GLY A 65 2.384 9.787 -1.010 1.00 0.00 C ATOM 78 C GLY A 65 3.883 9.891 -1.234 1.00 0.00 C ATOM 79 O GLY A 65 4.399 9.325 -2.196 1.00 0.00 O ATOM 0 H GLY A 65 1.717 7.828 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.849 9.829 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.026 10.620 -0.405 1.00 0.00 H new ATOM 83 N ARG A 66 4.604 10.489 -0.281 1.00 0.00 N ATOM 84 CA ARG A 66 6.067 10.540 -0.261 1.00 0.00 C ATOM 85 C ARG A 66 6.722 9.175 -0.446 1.00 0.00 C ATOM 86 O ARG A 66 7.847 9.114 -0.920 1.00 0.00 O ATOM 87 CB ARG A 66 6.560 11.201 1.039 1.00 0.00 C ATOM 88 CG ARG A 66 6.143 10.433 2.313 1.00 0.00 C ATOM 89 CD ARG A 66 7.317 10.027 3.211 1.00 0.00 C ATOM 90 NE ARG A 66 7.791 11.158 4.020 1.00 0.00 N ATOM 91 CZ ARG A 66 8.164 11.121 5.303 1.00 0.00 C ATOM 92 NH1 ARG A 66 8.305 9.956 5.930 1.00 0.00 N ATOM 93 NH2 ARG A 66 8.370 12.246 5.970 1.00 0.00 N ATOM 0 H ARG A 66 4.176 10.961 0.515 1.00 0.00 H new ATOM 0 HA ARG A 66 6.368 11.144 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.647 11.278 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.170 12.217 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.456 11.053 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.596 9.537 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.010 9.212 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.134 9.650 2.596 1.00 0.00 H new ATOM 0 HE ARG A 66 7.841 12.064 3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.128 9.084 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.590 9.935 6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.244 13.145 5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.655 12.214 6.949 1.00 0.00 H new ATOM 107 N LEU A 67 6.058 8.084 -0.061 1.00 0.00 N ATOM 108 CA LEU A 67 6.610 6.740 -0.156 1.00 0.00 C ATOM 109 C LEU A 67 6.750 6.365 -1.636 1.00 0.00 C ATOM 110 O LEU A 67 7.864 6.188 -2.131 1.00 0.00 O ATOM 111 CB LEU A 67 5.732 5.770 0.667 1.00 0.00 C ATOM 112 CG LEU A 67 6.476 4.639 1.405 1.00 0.00 C ATOM 113 CD1 LEU A 67 7.255 3.735 0.458 1.00 0.00 C ATOM 114 CD2 LEU A 67 7.390 5.189 2.508 1.00 0.00 C ATOM 0 H LEU A 67 5.115 8.113 0.328 1.00 0.00 H new ATOM 0 HA LEU A 67 7.610 6.681 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.176 6.351 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.000 5.319 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 67 5.707 4.025 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.759 2.957 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.569 3.275 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.995 4.325 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.897 4.363 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.130 5.857 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.792 5.739 3.235 1.00 0.00 H new ATOM 126 N ALA A 68 5.629 6.294 -2.365 1.00 0.00 N ATOM 127 CA ALA A 68 5.639 5.939 -3.781 1.00 0.00 C ATOM 128 C ALA A 68 6.370 6.987 -4.634 1.00 0.00 C ATOM 129 O ALA A 68 6.910 6.625 -5.673 1.00 0.00 O ATOM 130 CB ALA A 68 4.203 5.752 -4.283 1.00 0.00 C ATOM 0 H ALA A 68 4.699 6.480 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 68 6.185 5.001 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.219 5.487 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.720 4.955 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.647 6.680 -4.150 1.00 0.00 H new ATOM 136 N CYS A 69 6.450 8.250 -4.184 1.00 0.00 N ATOM 137 CA CYS A 69 7.017 9.390 -4.917 1.00 0.00 C ATOM 138 C CYS A 69 8.498 9.230 -5.307 1.00 0.00 C ATOM 139 O CYS A 69 9.030 10.066 -6.036 1.00 0.00 O ATOM 140 CB CYS A 69 6.849 10.648 -4.044 1.00 0.00 C ATOM 141 SG CYS A 69 6.487 12.128 -5.016 1.00 0.00 S ATOM 0 H CYS A 69 6.106 8.514 -3.261 1.00 0.00 H new ATOM 0 HA CYS A 69 6.475 9.463 -5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.044 10.483 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 69 7.760 10.810 -3.468 1.00 0.00 H new ATOM 0 HG CYS A 69 6.356 13.148 -4.221 1.00 0.00 H new ATOM 147 N TYR A 70 9.166 8.206 -4.776 1.00 0.00 N ATOM 148 CA TYR A 70 10.570 7.873 -4.989 1.00 0.00 C ATOM 149 C TYR A 70 10.639 6.537 -5.728 1.00 0.00 C ATOM 150 O TYR A 70 11.395 6.365 -6.679 1.00 0.00 O ATOM 151 CB TYR A 70 11.286 7.775 -3.630 1.00 0.00 C ATOM 152 CG TYR A 70 11.476 9.067 -2.842 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.369 9.829 -2.430 1.00 0.00 C ATOM 154 CD2 TYR A 70 12.761 9.473 -2.438 1.00 0.00 C ATOM 155 CE1 TYR A 70 10.524 10.976 -1.638 1.00 0.00 C ATOM 156 CE2 TYR A 70 12.932 10.624 -1.651 1.00 0.00 C ATOM 157 CZ TYR A 70 11.813 11.383 -1.239 1.00 0.00 C ATOM 158 OH TYR A 70 11.938 12.450 -0.400 1.00 0.00 O ATOM 0 H TYR A 70 8.710 7.546 -4.146 1.00 0.00 H new ATOM 0 HA TYR A 70 11.062 8.644 -5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.728 7.078 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.269 7.335 -3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.377 9.524 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.623 8.895 -2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.658 11.546 -1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.925 10.931 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 70 12.886 12.600 -0.201 1.00 0.00 H new ATOM 168 N LEU A 71 9.776 5.605 -5.324 1.00 0.00 N ATOM 169 CA LEU A 71 9.586 4.264 -5.870 1.00 0.00 C ATOM 170 C LEU A 71 8.973 4.284 -7.271 1.00 0.00 C ATOM 171 O LEU A 71 8.652 3.225 -7.809 1.00 0.00 O ATOM 172 CB LEU A 71 8.680 3.501 -4.893 1.00 0.00 C ATOM 173 CG LEU A 71 9.372 2.896 -3.661 1.00 0.00 C ATOM 174 CD1 LEU A 71 10.635 3.606 -3.188 1.00 0.00 C ATOM 175 CD2 LEU A 71 8.350 2.702 -2.543 1.00 0.00 C ATOM 0 H LEU A 71 9.142 5.784 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 71 10.554 3.775 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.899 4.179 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.187 2.697 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 71 9.757 1.927 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.036 3.092 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.377 3.598 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.396 4.636 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.842 2.273 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.915 3.665 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.563 2.029 -2.883 1.00 0.00 H new ATOM 187 N GLU A 72 8.778 5.471 -7.839 1.00 0.00 N ATOM 188 CA GLU A 72 8.311 5.701 -9.188 1.00 0.00 C ATOM 189 C GLU A 72 9.437 6.189 -10.103 1.00 0.00 C ATOM 190 O GLU A 72 9.270 6.083 -11.319 1.00 0.00 O ATOM 191 CB GLU A 72 7.128 6.682 -9.158 1.00 0.00 C ATOM 192 CG GLU A 72 7.455 8.076 -8.580 1.00 0.00 C ATOM 193 CD GLU A 72 7.216 9.214 -9.573 1.00 0.00 C ATOM 194 OE1 GLU A 72 6.097 9.265 -10.141 1.00 0.00 O ATOM 195 OE2 GLU A 72 8.092 10.096 -9.732 1.00 0.00 O ATOM 0 H GLU A 72 8.954 6.341 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 72 7.969 4.755 -9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.751 6.805 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.323 6.240 -8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.847 8.245 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.497 8.094 -8.261 1.00 0.00 H new ATOM 202 N PHE A 73 10.574 6.673 -9.573 1.00 0.00 N ATOM 203 CA PHE A 73 11.717 7.027 -10.414 1.00 0.00 C ATOM 204 C PHE A 73 12.231 5.755 -11.081 1.00 0.00 C ATOM 205 O PHE A 73 12.416 5.744 -12.301 1.00 0.00 O ATOM 206 CB PHE A 73 12.826 7.789 -9.647 1.00 0.00 C ATOM 207 CG PHE A 73 14.178 7.102 -9.520 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.147 7.194 -10.540 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.460 6.349 -8.370 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.370 6.504 -10.420 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.669 5.639 -8.262 1.00 0.00 C ATOM 212 CZ PHE A 73 16.624 5.705 -9.290 1.00 0.00 C ATOM 0 H PHE A 73 10.720 6.825 -8.575 1.00 0.00 H new ATOM 0 HA PHE A 73 11.389 7.732 -11.178 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.979 8.749 -10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.459 8.001 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.951 7.795 -11.416 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.744 6.315 -7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 73 17.115 6.589 -11.198 1.00 0.00 H new ATOM 0 HE2 PHE A 73 15.864 5.040 -7.385 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.546 5.147 -9.214 1.00 0.00 H new ATOM 222 N LEU A 74 12.404 4.686 -10.298 1.00 0.00 N ATOM 223 CA LEU A 74 12.946 3.412 -10.741 1.00 0.00 C ATOM 224 C LEU A 74 11.853 2.393 -11.018 1.00 0.00 C ATOM 225 O LEU A 74 10.718 2.522 -10.564 1.00 0.00 O ATOM 226 CB LEU A 74 14.045 2.902 -9.787 1.00 0.00 C ATOM 227 CG LEU A 74 13.697 2.389 -8.366 1.00 0.00 C ATOM 228 CD1 LEU A 74 15.007 2.187 -7.578 1.00 0.00 C ATOM 229 CD2 LEU A 74 12.716 3.231 -7.549 1.00 0.00 C ATOM 0 H LEU A 74 12.161 4.691 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 74 13.437 3.574 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.562 2.092 -10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.764 3.713 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 74 13.159 1.455 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.777 1.826 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.632 1.457 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.540 3.135 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.558 2.764 -6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.125 4.232 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.766 3.298 -8.078 1.00 0.00 H new ATOM 241 N LYS A 75 12.215 1.375 -11.793 1.00 0.00 N ATOM 242 CA LYS A 75 11.344 0.294 -12.245 1.00 0.00 C ATOM 243 C LYS A 75 12.107 -1.010 -12.074 1.00 0.00 C ATOM 244 O LYS A 75 13.069 -1.052 -11.311 1.00 0.00 O ATOM 245 CB LYS A 75 10.910 0.552 -13.698 1.00 0.00 C ATOM 246 CG LYS A 75 9.480 0.058 -13.973 1.00 0.00 C ATOM 247 CD LYS A 75 8.895 0.535 -15.310 1.00 0.00 C ATOM 248 CE LYS A 75 8.680 2.054 -15.327 1.00 0.00 C ATOM 249 NZ LYS A 75 7.832 2.469 -16.459 1.00 0.00 N ATOM 0 H LYS A 75 13.169 1.276 -12.140 1.00 0.00 H new ATOM 0 HA LYS A 75 10.427 0.237 -11.658 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.971 1.620 -13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.602 0.053 -14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.474 -1.032 -13.955 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.830 0.393 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.566 0.254 -16.122 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.946 0.031 -15.492 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.217 2.367 -14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.644 2.558 -15.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.708 3.501 -16.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.286 2.192 -17.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.903 2.007 -16.385 1.00 0.00 H new ATOM 263 N LYS A 76 11.686 -2.088 -12.742 1.00 0.00 N ATOM 264 CA LYS A 76 12.182 -3.445 -12.508 1.00 0.00 C ATOM 265 C LYS A 76 13.705 -3.606 -12.604 1.00 0.00 C ATOM 266 O LYS A 76 14.206 -4.618 -12.111 1.00 0.00 O ATOM 267 CB LYS A 76 11.488 -4.441 -13.455 1.00 0.00 C ATOM 268 CG LYS A 76 10.254 -5.128 -12.858 1.00 0.00 C ATOM 269 CD LYS A 76 9.051 -4.209 -12.593 1.00 0.00 C ATOM 270 CE LYS A 76 7.791 -5.083 -12.634 1.00 0.00 C ATOM 271 NZ LYS A 76 6.525 -4.329 -12.540 1.00 0.00 N ATOM 0 H LYS A 76 10.977 -2.040 -13.474 1.00 0.00 H new ATOM 0 HA LYS A 76 11.931 -3.662 -11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.192 -3.915 -14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.207 -5.205 -13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.940 -5.924 -13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.541 -5.602 -11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.148 -3.719 -11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.997 -3.421 -13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.791 -5.656 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.834 -5.801 -11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.723 -4.991 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.500 -3.802 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.458 -3.662 -13.335 1.00 0.00 H new ATOM 285 N GLU A 77 14.429 -2.653 -13.195 1.00 0.00 N ATOM 286 CA GLU A 77 15.882 -2.591 -13.141 1.00 0.00 C ATOM 287 C GLU A 77 16.356 -2.675 -11.684 1.00 0.00 C ATOM 288 O GLU A 77 17.054 -3.629 -11.350 1.00 0.00 O ATOM 289 CB GLU A 77 16.397 -1.348 -13.878 1.00 0.00 C ATOM 290 CG GLU A 77 16.303 -1.434 -15.411 1.00 0.00 C ATOM 291 CD GLU A 77 17.121 -2.584 -16.019 1.00 0.00 C ATOM 292 OE1 GLU A 77 16.609 -3.727 -16.113 1.00 0.00 O ATOM 293 OE2 GLU A 77 18.270 -2.364 -16.462 1.00 0.00 O ATOM 0 H GLU A 77 14.011 -1.893 -13.732 1.00 0.00 H new ATOM 0 HA GLU A 77 16.308 -3.449 -13.661 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.832 -0.480 -13.540 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.437 -1.180 -13.599 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.258 -1.554 -15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.644 -0.492 -15.840 1.00 0.00 H new ATOM 300 N GLU A 78 15.929 -1.758 -10.806 1.00 0.00 N ATOM 301 CA GLU A 78 16.486 -1.603 -9.465 1.00 0.00 C ATOM 302 C GLU A 78 15.380 -1.676 -8.395 1.00 0.00 C ATOM 303 O GLU A 78 15.634 -2.004 -7.240 1.00 0.00 O ATOM 304 CB GLU A 78 17.223 -0.253 -9.398 1.00 0.00 C ATOM 305 CG GLU A 78 18.296 -0.011 -10.468 1.00 0.00 C ATOM 306 CD GLU A 78 18.798 1.435 -10.415 1.00 0.00 C ATOM 307 OE1 GLU A 78 18.189 2.293 -11.093 1.00 0.00 O ATOM 308 OE2 GLU A 78 19.796 1.695 -9.707 1.00 0.00 O ATOM 0 H GLU A 78 15.179 -1.098 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 78 17.183 -2.416 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.483 0.545 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.692 -0.167 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.130 -0.696 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.886 -0.223 -11.456 1.00 0.00 H new ATOM 315 N LEU A 79 14.115 -1.434 -8.754 1.00 0.00 N ATOM 316 CA LEU A 79 12.966 -1.603 -7.858 1.00 0.00 C ATOM 317 C LEU A 79 12.801 -3.068 -7.453 1.00 0.00 C ATOM 318 O LEU A 79 12.390 -3.378 -6.336 1.00 0.00 O ATOM 319 CB LEU A 79 11.692 -1.148 -8.580 1.00 0.00 C ATOM 320 CG LEU A 79 10.424 -1.186 -7.716 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.488 -0.187 -6.553 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.251 -0.893 -8.652 1.00 0.00 C ATOM 0 H LEU A 79 13.857 -1.111 -9.687 1.00 0.00 H new ATOM 0 HA LEU A 79 13.136 -1.004 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.839 -0.131 -8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.540 -1.780 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 79 10.311 -2.163 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.570 -0.249 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.340 -0.424 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.600 0.823 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.320 -0.908 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.384 0.089 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.212 -1.651 -9.434 1.00 0.00 H new ATOM 334 N LYS A 80 13.121 -3.978 -8.371 1.00 0.00 N ATOM 335 CA LYS A 80 13.211 -5.404 -8.050 1.00 0.00 C ATOM 336 C LYS A 80 14.230 -5.609 -6.948 1.00 0.00 C ATOM 337 O LYS A 80 13.902 -6.300 -5.989 1.00 0.00 O ATOM 338 CB LYS A 80 13.454 -6.264 -9.300 1.00 0.00 C ATOM 339 CG LYS A 80 12.951 -7.711 -9.118 1.00 0.00 C ATOM 340 CD LYS A 80 13.933 -8.701 -8.472 1.00 0.00 C ATOM 341 CE LYS A 80 13.170 -9.697 -7.579 1.00 0.00 C ATOM 342 NZ LYS A 80 13.674 -11.080 -7.693 1.00 0.00 N ATOM 0 H LYS A 80 13.323 -3.754 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 80 12.251 -5.752 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.951 -5.811 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.520 -6.278 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.045 -7.684 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.668 -8.100 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.480 -9.240 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.670 -8.159 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.243 -9.374 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.113 -9.679 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.512 -11.583 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.172 -11.570 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.693 -11.062 -7.901 1.00 0.00 H new ATOM 356 N GLU A 81 15.400 -4.980 -7.009 1.00 0.00 N ATOM 357 CA GLU A 81 16.341 -5.078 -5.908 1.00 0.00 C ATOM 358 C GLU A 81 15.789 -4.449 -4.630 1.00 0.00 C ATOM 359 O GLU A 81 15.990 -5.048 -3.585 1.00 0.00 O ATOM 360 CB GLU A 81 17.731 -4.559 -6.300 1.00 0.00 C ATOM 361 CG GLU A 81 18.447 -5.680 -7.055 1.00 0.00 C ATOM 362 CD GLU A 81 19.964 -5.576 -7.192 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.595 -4.597 -6.755 1.00 0.00 O ATOM 364 OE2 GLU A 81 20.531 -6.573 -7.706 1.00 0.00 O ATOM 0 H GLU A 81 15.711 -4.409 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 81 16.475 -6.135 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.646 -3.670 -6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.297 -4.272 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.217 -6.622 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.021 -5.737 -8.057 1.00 0.00 H new ATOM 371 N PHE A 82 15.002 -3.364 -4.662 1.00 0.00 N ATOM 372 CA PHE A 82 14.317 -2.864 -3.458 1.00 0.00 C ATOM 373 C PHE A 82 13.559 -4.011 -2.768 1.00 0.00 C ATOM 374 O PHE A 82 13.838 -4.327 -1.610 1.00 0.00 O ATOM 375 CB PHE A 82 13.418 -1.647 -3.789 1.00 0.00 C ATOM 376 CG PHE A 82 12.768 -0.882 -2.631 1.00 0.00 C ATOM 377 CD1 PHE A 82 12.097 -1.515 -1.566 1.00 0.00 C ATOM 378 CD2 PHE A 82 12.823 0.523 -2.616 1.00 0.00 C ATOM 379 CE1 PHE A 82 11.594 -0.765 -0.490 1.00 0.00 C ATOM 380 CE2 PHE A 82 12.434 1.258 -1.489 1.00 0.00 C ATOM 381 CZ PHE A 82 11.782 0.616 -0.436 1.00 0.00 C ATOM 0 H PHE A 82 14.824 -2.817 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 82 15.059 -2.499 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.017 -0.938 -4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.621 -1.993 -4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.968 -2.587 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.173 1.047 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.056 -1.263 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.638 2.317 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.427 1.182 0.412 1.00 0.00 H new ATOM 391 N GLN A 83 12.592 -4.636 -3.449 1.00 0.00 N ATOM 392 CA GLN A 83 11.757 -5.683 -2.846 1.00 0.00 C ATOM 393 C GLN A 83 12.547 -6.955 -2.488 1.00 0.00 C ATOM 394 O GLN A 83 12.127 -7.706 -1.603 1.00 0.00 O ATOM 395 CB GLN A 83 10.549 -6.009 -3.753 1.00 0.00 C ATOM 396 CG GLN A 83 10.953 -6.447 -5.167 1.00 0.00 C ATOM 397 CD GLN A 83 9.775 -6.815 -6.058 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.153 -5.962 -6.691 1.00 0.00 O ATOM 399 NE2 GLN A 83 9.491 -8.097 -6.200 1.00 0.00 N ATOM 0 H GLN A 83 12.367 -4.434 -4.423 1.00 0.00 H new ATOM 0 HA GLN A 83 11.387 -5.283 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.959 -6.800 -3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.907 -5.131 -3.822 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.516 -5.642 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 83 11.623 -7.304 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.012 -8.796 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.751 -8.388 -6.839 1.00 0.00 H new ATOM 408 N LEU A 84 13.663 -7.223 -3.170 1.00 0.00 N ATOM 409 CA LEU A 84 14.528 -8.358 -2.953 1.00 0.00 C ATOM 410 C LEU A 84 15.384 -8.106 -1.704 1.00 0.00 C ATOM 411 O LEU A 84 15.223 -8.795 -0.697 1.00 0.00 O ATOM 412 CB LEU A 84 15.339 -8.547 -4.249 1.00 0.00 C ATOM 413 CG LEU A 84 15.829 -9.981 -4.441 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.559 -10.090 -5.780 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.736 -10.458 -3.307 1.00 0.00 C ATOM 0 H LEU A 84 13.993 -6.618 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 84 13.986 -9.283 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.723 -8.262 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.197 -7.874 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 84 14.953 -10.630 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.910 -11.112 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.877 -9.826 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.411 -9.410 -5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.052 -11.483 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.613 -9.814 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.191 -10.418 -2.364 1.00 0.00 H new ATOM 427 N LEU A 85 16.245 -7.086 -1.750 1.00 0.00 N ATOM 428 CA LEU A 85 17.190 -6.678 -0.714 1.00 0.00 C ATOM 429 C LEU A 85 16.475 -6.469 0.609 1.00 0.00 C ATOM 430 O LEU A 85 16.955 -6.902 1.651 1.00 0.00 O ATOM 431 CB LEU A 85 17.887 -5.357 -1.105 1.00 0.00 C ATOM 432 CG LEU A 85 18.813 -5.449 -2.331 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.214 -4.058 -2.827 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.081 -6.224 -1.995 1.00 0.00 C ATOM 0 H LEU A 85 16.302 -6.483 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 85 17.931 -7.471 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.123 -4.605 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.470 -5.005 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 85 18.258 -5.968 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.868 -4.155 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.321 -3.500 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 85 19.740 -3.526 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.720 -6.276 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.614 -5.718 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.817 -7.233 -1.678 1.00 0.00 H new ATOM 446 N LEU A 86 15.316 -5.809 0.599 1.00 0.00 N ATOM 447 CA LEU A 86 14.565 -5.531 1.803 1.00 0.00 C ATOM 448 C LEU A 86 14.151 -6.834 2.477 1.00 0.00 C ATOM 449 O LEU A 86 14.384 -6.981 3.674 1.00 0.00 O ATOM 450 CB LEU A 86 13.398 -4.616 1.431 1.00 0.00 C ATOM 451 CG LEU A 86 12.725 -3.999 2.655 1.00 0.00 C ATOM 452 CD1 LEU A 86 11.972 -2.749 2.234 1.00 0.00 C ATOM 453 CD2 LEU A 86 11.734 -4.944 3.320 1.00 0.00 C ATOM 0 H LEU A 86 14.879 -5.455 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 86 15.168 -5.006 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.758 -3.820 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.661 -5.185 0.863 1.00 0.00 H new ATOM 0 HG LEU A 86 13.514 -3.773 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.489 -2.304 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.670 -2.033 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.216 -3.012 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.286 -4.453 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.952 -5.211 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.253 -5.846 3.644 1.00 0.00 H new ATOM 465 N ALA A 87 13.579 -7.790 1.739 1.00 0.00 N ATOM 466 CA ALA A 87 13.248 -9.098 2.299 1.00 0.00 C ATOM 467 C ALA A 87 14.515 -9.853 2.734 1.00 0.00 C ATOM 468 O ALA A 87 14.466 -10.670 3.653 1.00 0.00 O ATOM 469 CB ALA A 87 12.451 -9.908 1.270 1.00 0.00 C ATOM 0 H ALA A 87 13.337 -7.680 0.754 1.00 0.00 H new ATOM 0 HA ALA A 87 12.636 -8.955 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.204 -10.884 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.532 -9.377 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.049 -10.040 0.368 1.00 0.00 H new ATOM 475 N ASN A 88 15.652 -9.595 2.083 1.00 0.00 N ATOM 476 CA ASN A 88 16.931 -10.220 2.410 1.00 0.00 C ATOM 477 C ASN A 88 17.518 -9.675 3.724 1.00 0.00 C ATOM 478 O ASN A 88 18.130 -10.424 4.493 1.00 0.00 O ATOM 479 CB ASN A 88 17.913 -10.054 1.236 1.00 0.00 C ATOM 480 CG ASN A 88 19.091 -11.012 1.345 1.00 0.00 C ATOM 481 OD1 ASN A 88 19.073 -11.944 2.137 1.00 0.00 O ATOM 482 ND2 ASN A 88 20.115 -10.859 0.532 1.00 0.00 N ATOM 0 H ASN A 88 15.708 -8.938 1.305 1.00 0.00 H new ATOM 0 HA ASN A 88 16.759 -11.285 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.389 -10.228 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.280 -9.028 1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 88 20.893 -11.518 0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 88 20.130 -10.082 -0.128 1.00 0.00 H new ATOM 489 N LYS A 89 17.313 -8.387 4.024 1.00 0.00 N ATOM 490 CA LYS A 89 17.518 -7.793 5.344 1.00 0.00 C ATOM 491 C LYS A 89 16.468 -8.358 6.291 1.00 0.00 C ATOM 492 O LYS A 89 16.780 -9.250 7.084 1.00 0.00 O ATOM 493 CB LYS A 89 17.416 -6.256 5.286 1.00 0.00 C ATOM 494 CG LYS A 89 18.759 -5.564 5.079 1.00 0.00 C ATOM 495 CD LYS A 89 19.315 -5.758 3.671 1.00 0.00 C ATOM 496 CE LYS A 89 20.670 -5.047 3.583 1.00 0.00 C ATOM 497 NZ LYS A 89 21.723 -5.885 2.990 1.00 0.00 N ATOM 0 H LYS A 89 16.990 -7.711 3.331 1.00 0.00 H new ATOM 0 HA LYS A 89 18.519 -8.038 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.743 -5.975 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.969 -5.894 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.647 -4.498 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.476 -5.949 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.429 -6.820 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.625 -5.352 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.559 -4.139 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.978 -4.740 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.615 -5.738 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.447 -6.886 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.853 -5.625 1.992 1.00 0.00 H new ATOM 511 N ALA A 90 15.222 -7.883 6.174 1.00 0.00 N ATOM 512 CA ALA A 90 14.117 -8.172 7.078 1.00 0.00 C ATOM 513 C ALA A 90 14.548 -7.977 8.542 1.00 0.00 C ATOM 514 O ALA A 90 15.543 -7.301 8.804 1.00 0.00 O ATOM 515 CB ALA A 90 13.594 -9.562 6.712 1.00 0.00 C ATOM 0 H ALA A 90 14.951 -7.261 5.412 1.00 0.00 H new ATOM 0 HA ALA A 90 13.286 -7.476 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.762 -9.822 7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.255 -9.562 5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.392 -10.294 6.832 1.00 0.00 H new ATOM 712 N LYS A 105 2.868 -7.733 -6.003 1.00 0.00 N ATOM 713 CA LYS A 105 2.877 -6.293 -5.781 1.00 0.00 C ATOM 714 C LYS A 105 4.146 -5.711 -6.377 1.00 0.00 C ATOM 715 O LYS A 105 5.232 -6.073 -5.923 1.00 0.00 O ATOM 716 CB LYS A 105 2.661 -5.925 -4.301 1.00 0.00 C ATOM 717 CG LYS A 105 1.183 -6.080 -3.882 1.00 0.00 C ATOM 718 CD LYS A 105 0.844 -7.445 -3.273 1.00 0.00 C ATOM 719 CE LYS A 105 -0.674 -7.586 -3.076 1.00 0.00 C ATOM 720 NZ LYS A 105 -0.993 -8.550 -2.002 1.00 0.00 N ATOM 0 HA LYS A 105 2.027 -5.842 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.285 -6.561 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.981 -4.897 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.938 -5.301 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.550 -5.916 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.207 -8.240 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.353 -7.559 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.102 -6.614 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.134 -7.913 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.025 -8.622 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.605 -9.483 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.574 -8.224 -1.108 1.00 0.00 H new ATOM 734 N THR A 106 4.034 -4.887 -7.422 1.00 0.00 N ATOM 735 CA THR A 106 5.168 -4.603 -8.298 1.00 0.00 C ATOM 736 C THR A 106 5.115 -3.235 -8.989 1.00 0.00 C ATOM 737 O THR A 106 5.882 -2.998 -9.933 1.00 0.00 O ATOM 738 CB THR A 106 5.322 -5.810 -9.247 1.00 0.00 C ATOM 739 OG1 THR A 106 6.611 -5.841 -9.818 1.00 0.00 O ATOM 740 CG2 THR A 106 4.257 -5.876 -10.347 1.00 0.00 C ATOM 0 H THR A 106 3.171 -4.407 -7.680 1.00 0.00 H new ATOM 0 HA THR A 106 6.075 -4.495 -7.704 1.00 0.00 H new ATOM 0 HB THR A 106 5.175 -6.692 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.888 -4.930 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.433 -6.751 -10.972 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.269 -5.948 -9.893 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.310 -4.976 -10.960 1.00 0.00 H new ATOM 748 N SER A 107 4.268 -2.317 -8.522 1.00 0.00 N ATOM 749 CA SER A 107 4.220 -0.959 -9.053 1.00 0.00 C ATOM 750 C SER A 107 4.520 0.092 -7.991 1.00 0.00 C ATOM 751 O SER A 107 4.327 -0.175 -6.803 1.00 0.00 O ATOM 752 CB SER A 107 2.853 -0.704 -9.679 1.00 0.00 C ATOM 753 OG SER A 107 2.386 -1.804 -10.432 1.00 0.00 O ATOM 0 H SER A 107 3.601 -2.494 -7.771 1.00 0.00 H new ATOM 0 HA SER A 107 4.998 -0.873 -9.812 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.134 -0.476 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.910 0.174 -10.323 1.00 0.00 H new ATOM 0 HG SER A 107 1.507 -1.592 -10.810 1.00 0.00 H new ATOM 759 N GLY A 108 4.903 1.293 -8.450 1.00 0.00 N ATOM 760 CA GLY A 108 5.234 2.490 -7.677 1.00 0.00 C ATOM 761 C GLY A 108 4.469 2.580 -6.365 1.00 0.00 C ATOM 762 O GLY A 108 5.054 2.550 -5.280 1.00 0.00 O ATOM 0 H GLY A 108 4.995 1.461 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.304 2.497 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.020 3.374 -8.277 1.00 0.00 H new ATOM 766 N MET A 109 3.148 2.654 -6.493 1.00 0.00 N ATOM 767 CA MET A 109 2.202 2.892 -5.404 1.00 0.00 C ATOM 768 C MET A 109 1.741 1.615 -4.711 1.00 0.00 C ATOM 769 O MET A 109 1.142 1.661 -3.636 1.00 0.00 O ATOM 770 CB MET A 109 0.995 3.656 -5.960 1.00 0.00 C ATOM 771 CG MET A 109 0.409 3.029 -7.235 1.00 0.00 C ATOM 772 SD MET A 109 -1.365 2.692 -7.269 1.00 0.00 S ATOM 773 CE MET A 109 -1.466 1.443 -5.965 1.00 0.00 C ATOM 0 H MET A 109 2.686 2.545 -7.396 1.00 0.00 H new ATOM 0 HA MET A 109 2.718 3.477 -4.643 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.219 3.700 -5.196 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.291 4.683 -6.172 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.640 3.690 -8.070 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.932 2.090 -7.417 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.469 1.017 -5.946 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.741 0.653 -6.161 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.249 1.904 -5.002 1.00 0.00 H new ATOM 783 N GLU A 110 1.996 0.472 -5.324 1.00 0.00 N ATOM 784 CA GLU A 110 1.481 -0.803 -4.872 1.00 0.00 C ATOM 785 C GLU A 110 2.450 -1.453 -3.891 1.00 0.00 C ATOM 786 O GLU A 110 2.035 -1.862 -2.807 1.00 0.00 O ATOM 787 CB GLU A 110 1.237 -1.672 -6.104 1.00 0.00 C ATOM 788 CG GLU A 110 0.536 -2.974 -5.730 1.00 0.00 C ATOM 789 CD GLU A 110 0.379 -3.875 -6.946 1.00 0.00 C ATOM 790 OE1 GLU A 110 1.363 -4.063 -7.688 1.00 0.00 O ATOM 791 OE2 GLU A 110 -0.721 -4.450 -7.118 1.00 0.00 O ATOM 0 H GLU A 110 2.575 0.406 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 110 0.541 -0.674 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.631 -1.124 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.187 -1.894 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.108 -3.492 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.444 -2.755 -5.306 1.00 0.00 H new ATOM 798 N VAL A 111 3.740 -1.495 -4.239 1.00 0.00 N ATOM 799 CA VAL A 111 4.806 -1.938 -3.346 1.00 0.00 C ATOM 800 C VAL A 111 4.716 -1.135 -2.046 1.00 0.00 C ATOM 801 O VAL A 111 4.844 -1.719 -0.976 1.00 0.00 O ATOM 802 CB VAL A 111 6.169 -1.790 -4.054 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.349 -2.166 -3.149 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.242 -2.686 -5.303 1.00 0.00 C ATOM 0 H VAL A 111 4.074 -1.218 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 111 4.699 -2.993 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 111 6.245 -0.737 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.282 -2.043 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.356 -1.518 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.248 -3.204 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.213 -2.563 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.111 -3.728 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.454 -2.403 -6.000 1.00 0.00 H new ATOM 814 N ALA A 112 4.415 0.166 -2.126 1.00 0.00 N ATOM 815 CA ALA A 112 4.229 1.032 -0.975 1.00 0.00 C ATOM 816 C ALA A 112 3.183 0.487 -0.005 1.00 0.00 C ATOM 817 O ALA A 112 3.514 0.182 1.137 1.00 0.00 O ATOM 818 CB ALA A 112 3.880 2.443 -1.460 1.00 0.00 C ATOM 0 H ALA A 112 4.293 0.649 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 112 5.161 1.070 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.739 3.099 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.691 2.826 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.961 2.410 -2.046 1.00 0.00 H new ATOM 824 N SER A 113 1.931 0.343 -0.441 1.00 0.00 N ATOM 825 CA SER A 113 0.844 -0.133 0.413 1.00 0.00 C ATOM 826 C SER A 113 1.085 -1.567 0.902 1.00 0.00 C ATOM 827 O SER A 113 0.555 -1.945 1.949 1.00 0.00 O ATOM 828 CB SER A 113 -0.453 -0.013 -0.390 1.00 0.00 C ATOM 829 OG SER A 113 -1.623 -0.322 0.347 1.00 0.00 O ATOM 0 H SER A 113 1.643 0.553 -1.397 1.00 0.00 H new ATOM 0 HA SER A 113 0.783 0.474 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.537 1.004 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.395 -0.676 -1.253 1.00 0.00 H new ATOM 0 HG SER A 113 -2.409 -0.222 -0.230 1.00 0.00 H new ATOM 835 N TYR A 114 1.881 -2.360 0.180 1.00 0.00 N ATOM 836 CA TYR A 114 2.310 -3.676 0.639 1.00 0.00 C ATOM 837 C TYR A 114 3.257 -3.479 1.822 1.00 0.00 C ATOM 838 O TYR A 114 3.077 -4.083 2.877 1.00 0.00 O ATOM 839 CB TYR A 114 2.929 -4.456 -0.535 1.00 0.00 C ATOM 840 CG TYR A 114 3.986 -5.488 -0.187 1.00 0.00 C ATOM 841 CD1 TYR A 114 3.616 -6.777 0.241 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.350 -5.169 -0.341 1.00 0.00 C ATOM 843 CE1 TYR A 114 4.602 -7.749 0.491 1.00 0.00 C ATOM 844 CE2 TYR A 114 6.339 -6.136 -0.094 1.00 0.00 C ATOM 845 CZ TYR A 114 5.968 -7.437 0.314 1.00 0.00 C ATOM 846 OH TYR A 114 6.924 -8.392 0.481 1.00 0.00 O ATOM 0 H TYR A 114 2.244 -2.104 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 114 1.472 -4.280 0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.124 -4.960 -1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.370 -3.737 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 114 2.573 -7.020 0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.637 -4.175 -0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 114 4.313 -8.737 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.382 -5.885 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 114 7.808 -8.002 0.319 1.00 0.00 H new ATOM 856 N LEU A 115 4.235 -2.589 1.679 1.00 0.00 N ATOM 857 CA LEU A 115 5.296 -2.381 2.645 1.00 0.00 C ATOM 858 C LEU A 115 4.777 -1.840 3.973 1.00 0.00 C ATOM 859 O LEU A 115 5.182 -2.346 5.019 1.00 0.00 O ATOM 860 CB LEU A 115 6.353 -1.453 2.030 1.00 0.00 C ATOM 861 CG LEU A 115 7.790 -1.808 2.428 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.179 -3.220 1.964 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.709 -0.788 1.750 1.00 0.00 C ATOM 0 H LEU A 115 4.308 -1.979 0.865 1.00 0.00 H new ATOM 0 HA LEU A 115 5.749 -3.345 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.267 -1.488 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.144 -0.427 2.333 1.00 0.00 H new ATOM 0 HG LEU A 115 7.881 -1.785 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.205 -3.433 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.509 -3.950 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.100 -3.281 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.746 -1.005 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.584 -0.848 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.453 0.215 2.090 1.00 0.00 H new ATOM 875 N VAL A 116 3.865 -0.860 3.960 1.00 0.00 N ATOM 876 CA VAL A 116 3.295 -0.361 5.213 1.00 0.00 C ATOM 877 C VAL A 116 2.484 -1.472 5.904 1.00 0.00 C ATOM 878 O VAL A 116 2.442 -1.507 7.130 1.00 0.00 O ATOM 879 CB VAL A 116 2.494 0.954 5.029 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.314 1.696 6.363 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.102 1.914 4.010 1.00 0.00 C ATOM 0 H VAL A 116 3.514 -0.407 3.116 1.00 0.00 H new ATOM 0 HA VAL A 116 4.118 -0.091 5.874 1.00 0.00 H new ATOM 0 HB VAL A 116 1.526 0.634 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.748 2.613 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.774 1.059 7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.292 1.943 6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.484 2.809 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.107 2.192 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.150 1.428 3.036 1.00 0.00 H new ATOM 891 N ALA A 117 1.891 -2.419 5.165 1.00 0.00 N ATOM 892 CA ALA A 117 1.206 -3.557 5.775 1.00 0.00 C ATOM 893 C ALA A 117 2.193 -4.597 6.314 1.00 0.00 C ATOM 894 O ALA A 117 1.883 -5.273 7.296 1.00 0.00 O ATOM 895 CB ALA A 117 0.244 -4.196 4.775 1.00 0.00 C ATOM 0 H ALA A 117 1.874 -2.416 4.145 1.00 0.00 H new ATOM 0 HA ALA A 117 0.636 -3.181 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.259 -5.042 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.498 -3.461 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.801 -4.542 3.904 1.00 0.00 H new ATOM 901 N GLN A 118 3.371 -4.741 5.699 1.00 0.00 N ATOM 902 CA GLN A 118 4.424 -5.617 6.194 1.00 0.00 C ATOM 903 C GLN A 118 4.957 -5.100 7.537 1.00 0.00 C ATOM 904 O GLN A 118 5.054 -5.874 8.492 1.00 0.00 O ATOM 905 CB GLN A 118 5.565 -5.727 5.165 1.00 0.00 C ATOM 906 CG GLN A 118 5.247 -6.563 3.919 1.00 0.00 C ATOM 907 CD GLN A 118 5.328 -8.055 4.218 1.00 0.00 C ATOM 908 OE1 GLN A 118 6.374 -8.682 4.064 1.00 0.00 O ATOM 909 NE2 GLN A 118 4.230 -8.671 4.615 1.00 0.00 N ATOM 0 H GLN A 118 3.617 -4.249 4.840 1.00 0.00 H new ATOM 0 HA GLN A 118 4.005 -6.612 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.843 -4.722 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.436 -6.158 5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.249 -6.316 3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 118 5.946 -6.311 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.366 -8.143 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.245 -9.675 4.796 1.00 0.00 H new ATOM 918 N TYR A 119 5.320 -3.816 7.605 1.00 0.00 N ATOM 919 CA TYR A 119 6.161 -3.276 8.675 1.00 0.00 C ATOM 920 C TYR A 119 5.505 -2.217 9.549 1.00 0.00 C ATOM 921 O TYR A 119 5.955 -2.006 10.673 1.00 0.00 O ATOM 922 CB TYR A 119 7.418 -2.693 8.029 1.00 0.00 C ATOM 923 CG TYR A 119 8.290 -3.756 7.413 1.00 0.00 C ATOM 924 CD1 TYR A 119 9.031 -4.605 8.250 1.00 0.00 C ATOM 925 CD2 TYR A 119 8.287 -3.957 6.023 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.775 -5.657 7.702 1.00 0.00 C ATOM 927 CE2 TYR A 119 8.983 -5.044 5.474 1.00 0.00 C ATOM 928 CZ TYR A 119 9.734 -5.899 6.313 1.00 0.00 C ATOM 929 OH TYR A 119 10.401 -6.966 5.795 1.00 0.00 O ATOM 0 H TYR A 119 5.037 -3.119 6.916 1.00 0.00 H new ATOM 0 HA TYR A 119 6.375 -4.104 9.351 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.130 -1.974 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 119 7.990 -2.147 8.780 1.00 0.00 H new ATOM 0 HD1 TYR A 119 9.027 -4.447 9.318 1.00 0.00 H new ATOM 0 HD2 TYR A 119 7.750 -3.276 5.379 1.00 0.00 H new ATOM 0 HE1 TYR A 119 10.380 -6.282 8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 119 8.945 -5.228 4.410 1.00 0.00 H new ATOM 0 HH TYR A 119 10.271 -6.993 4.824 1.00 0.00 H new ATOM 939 N GLY A 120 4.473 -1.537 9.057 1.00 0.00 N ATOM 940 CA GLY A 120 4.161 -0.199 9.498 1.00 0.00 C ATOM 941 C GLY A 120 5.087 0.793 8.813 1.00 0.00 C ATOM 942 O GLY A 120 6.012 0.432 8.085 1.00 0.00 O ATOM 0 H GLY A 120 3.839 -1.903 8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.123 0.038 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.271 -0.127 10.580 1.00 0.00 H new ATOM 946 N GLU A 121 4.820 2.069 9.048 1.00 0.00 N ATOM 947 CA GLU A 121 5.569 3.175 8.471 1.00 0.00 C ATOM 948 C GLU A 121 7.057 3.114 8.802 1.00 0.00 C ATOM 949 O GLU A 121 7.864 3.560 7.984 1.00 0.00 O ATOM 950 CB GLU A 121 5.072 4.517 9.004 1.00 0.00 C ATOM 951 CG GLU A 121 3.640 4.903 8.644 1.00 0.00 C ATOM 952 CD GLU A 121 3.524 6.412 8.862 1.00 0.00 C ATOM 953 OE1 GLU A 121 3.374 6.821 10.032 1.00 0.00 O ATOM 954 OE2 GLU A 121 3.772 7.168 7.899 1.00 0.00 O ATOM 0 H GLU A 121 4.060 2.371 9.658 1.00 0.00 H new ATOM 0 HA GLU A 121 5.418 3.087 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.160 4.507 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.738 5.298 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.418 4.643 7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.926 4.366 9.268 1.00 0.00 H new ATOM 961 N GLN A 122 7.391 2.637 10.005 1.00 0.00 N ATOM 962 CA GLN A 122 8.738 2.579 10.545 1.00 0.00 C ATOM 963 C GLN A 122 9.603 1.714 9.641 1.00 0.00 C ATOM 964 O GLN A 122 10.290 2.248 8.776 1.00 0.00 O ATOM 965 CB GLN A 122 8.692 2.050 11.986 1.00 0.00 C ATOM 966 CG GLN A 122 8.292 3.125 13.008 1.00 0.00 C ATOM 967 CD GLN A 122 9.428 4.117 13.248 1.00 0.00 C ATOM 968 OE1 GLN A 122 10.528 3.733 13.635 1.00 0.00 O ATOM 969 NE2 GLN A 122 9.226 5.398 12.988 1.00 0.00 N ATOM 0 H GLN A 122 6.694 2.267 10.651 1.00 0.00 H new ATOM 0 HA GLN A 122 9.181 3.574 10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.984 1.223 12.041 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.671 1.650 12.252 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.411 3.658 12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.017 2.650 13.950 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.311 5.715 12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.985 6.069 13.109 1.00 0.00 H new ATOM 978 N ARG A 123 9.596 0.385 9.805 1.00 0.00 N ATOM 979 CA ARG A 123 10.533 -0.453 9.056 1.00 0.00 C ATOM 980 C ARG A 123 10.260 -0.400 7.549 1.00 0.00 C ATOM 981 O ARG A 123 11.196 -0.600 6.774 1.00 0.00 O ATOM 982 CB ARG A 123 10.561 -1.894 9.607 1.00 0.00 C ATOM 983 CG ARG A 123 11.664 -2.140 10.637 1.00 0.00 C ATOM 984 CD ARG A 123 11.422 -1.384 11.950 1.00 0.00 C ATOM 985 NE ARG A 123 12.465 -1.670 12.949 1.00 0.00 N ATOM 986 CZ ARG A 123 12.342 -2.410 14.059 1.00 0.00 C ATOM 987 NH1 ARG A 123 11.255 -3.139 14.290 1.00 0.00 N ATOM 988 NH2 ARG A 123 13.331 -2.429 14.942 1.00 0.00 N ATOM 0 H ARG A 123 8.970 -0.120 10.432 1.00 0.00 H new ATOM 0 HA ARG A 123 11.533 -0.045 9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.596 -2.118 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.691 -2.588 8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.732 -3.208 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.623 -1.835 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.393 -0.313 11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.448 -1.660 12.353 1.00 0.00 H new ATOM 0 HE ARG A 123 13.383 -1.259 12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.491 -3.143 13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.185 -3.694 15.143 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.176 -1.883 14.773 1.00 0.00 H new ATOM 0 HH22 ARG A 123 13.247 -2.989 15.790 1.00 0.00 H new ATOM 1002 N ALA A 124 9.050 -0.032 7.103 1.00 0.00 N ATOM 1003 CA ALA A 124 8.796 0.132 5.675 1.00 0.00 C ATOM 1004 C ALA A 124 9.681 1.209 5.048 1.00 0.00 C ATOM 1005 O ALA A 124 9.840 1.201 3.831 1.00 0.00 O ATOM 1006 CB ALA A 124 7.326 0.469 5.392 1.00 0.00 C ATOM 0 H ALA A 124 8.247 0.154 7.704 1.00 0.00 H new ATOM 0 HA ALA A 124 9.039 -0.829 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.179 0.583 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.691 -0.336 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.063 1.400 5.895 1.00 0.00 H new ATOM 1012 N TRP A 125 10.269 2.115 5.832 1.00 0.00 N ATOM 1013 CA TRP A 125 11.218 3.095 5.332 1.00 0.00 C ATOM 1014 C TRP A 125 12.560 2.912 6.034 1.00 0.00 C ATOM 1015 O TRP A 125 13.580 2.737 5.384 1.00 0.00 O ATOM 1016 CB TRP A 125 10.617 4.501 5.436 1.00 0.00 C ATOM 1017 CG TRP A 125 11.000 5.431 4.326 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.462 6.686 4.492 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.963 5.208 2.881 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.709 7.259 3.257 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.446 6.380 2.225 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.573 4.131 2.055 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.549 6.463 0.823 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.655 4.209 0.656 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.130 5.374 0.036 1.00 0.00 C ATOM 0 H TRP A 125 10.095 2.185 6.835 1.00 0.00 H new ATOM 0 HA TRP A 125 11.419 2.945 4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.531 4.416 5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 125 10.924 4.943 6.384 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.616 7.171 5.445 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.044 8.213 3.125 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.202 3.225 2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.945 7.353 0.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.350 3.366 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.174 5.435 -1.041 1.00 0.00 H new ATOM 1036 N ASP A 126 12.576 2.838 7.354 1.00 0.00 N ATOM 1037 CA ASP A 126 13.785 2.719 8.167 1.00 0.00 C ATOM 1038 C ASP A 126 14.625 1.464 7.852 1.00 0.00 C ATOM 1039 O ASP A 126 15.822 1.458 8.124 1.00 0.00 O ATOM 1040 CB ASP A 126 13.342 2.710 9.643 1.00 0.00 C ATOM 1041 CG ASP A 126 14.311 3.324 10.651 1.00 0.00 C ATOM 1042 OD1 ASP A 126 15.265 4.045 10.280 1.00 0.00 O ATOM 1043 OD2 ASP A 126 13.996 3.230 11.863 1.00 0.00 O ATOM 0 H ASP A 126 11.722 2.859 7.912 1.00 0.00 H new ATOM 0 HA ASP A 126 14.437 3.563 7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.392 3.240 9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.154 1.677 9.936 1.00 0.00 H new ATOM 1048 N LEU A 127 14.046 0.397 7.273 1.00 0.00 N ATOM 1049 CA LEU A 127 14.777 -0.766 6.766 1.00 0.00 C ATOM 1050 C LEU A 127 15.045 -0.588 5.275 1.00 0.00 C ATOM 1051 O LEU A 127 16.150 -0.837 4.807 1.00 0.00 O ATOM 1052 CB LEU A 127 14.023 -2.060 7.141 1.00 0.00 C ATOM 1053 CG LEU A 127 13.755 -3.151 6.092 1.00 0.00 C ATOM 1054 CD1 LEU A 127 15.028 -3.710 5.458 1.00 0.00 C ATOM 1055 CD2 LEU A 127 13.036 -4.331 6.753 1.00 0.00 C ATOM 0 H LEU A 127 13.037 0.323 7.144 1.00 0.00 H new ATOM 0 HA LEU A 127 15.757 -0.854 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.577 -2.528 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.056 -1.761 7.545 1.00 0.00 H new ATOM 0 HG LEU A 127 13.156 -2.677 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.765 -4.475 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.571 -2.906 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.658 -4.149 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 127 12.846 -5.104 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.660 -4.738 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 127 12.089 -3.991 7.173 1.00 0.00 H new ATOM 1067 N ALA A 128 14.068 -0.086 4.528 1.00 0.00 N ATOM 1068 CA ALA A 128 14.248 0.327 3.129 1.00 0.00 C ATOM 1069 C ALA A 128 15.528 1.147 2.915 1.00 0.00 C ATOM 1070 O ALA A 128 16.257 0.938 1.950 1.00 0.00 O ATOM 1071 CB ALA A 128 13.076 1.181 2.666 1.00 0.00 C ATOM 0 H ALA A 128 13.118 0.049 4.874 1.00 0.00 H new ATOM 0 HA ALA A 128 14.314 -0.596 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.229 1.476 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.153 0.607 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.006 2.072 3.290 1.00 0.00 H new ATOM 1077 N LEU A 129 15.775 2.110 3.799 1.00 0.00 N ATOM 1078 CA LEU A 129 16.878 3.057 3.739 1.00 0.00 C ATOM 1079 C LEU A 129 18.195 2.376 4.088 1.00 0.00 C ATOM 1080 O LEU A 129 19.214 2.671 3.466 1.00 0.00 O ATOM 1081 CB LEU A 129 16.566 4.238 4.669 1.00 0.00 C ATOM 1082 CG LEU A 129 15.512 5.157 4.015 1.00 0.00 C ATOM 1083 CD1 LEU A 129 14.635 5.845 5.052 1.00 0.00 C ATOM 1084 CD2 LEU A 129 16.171 6.211 3.131 1.00 0.00 C ATOM 0 H LEU A 129 15.181 2.256 4.615 1.00 0.00 H new ATOM 0 HA LEU A 129 16.990 3.438 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.197 3.871 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.476 4.802 4.873 1.00 0.00 H new ATOM 0 HG LEU A 129 14.881 4.516 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.908 6.482 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.112 5.093 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 129 15.257 6.454 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 129 15.403 6.843 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 129 16.841 6.825 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 129 16.741 5.720 2.342 1.00 0.00 H new ATOM 1096 N HIS A 130 18.177 1.390 4.983 1.00 0.00 N ATOM 1097 CA HIS A 130 19.287 0.462 5.139 1.00 0.00 C ATOM 1098 C HIS A 130 19.517 -0.274 3.803 1.00 0.00 C ATOM 1099 O HIS A 130 20.646 -0.342 3.324 1.00 0.00 O ATOM 1100 CB HIS A 130 19.009 -0.459 6.343 1.00 0.00 C ATOM 1101 CG HIS A 130 20.021 -1.544 6.587 1.00 0.00 C ATOM 1102 ND1 HIS A 130 20.578 -1.869 7.803 1.00 0.00 N ATOM 1103 CD2 HIS A 130 20.465 -2.452 5.669 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.342 -2.960 7.627 1.00 0.00 C ATOM 1105 NE2 HIS A 130 21.340 -3.319 6.331 1.00 0.00 N ATOM 0 H HIS A 130 17.396 1.215 5.615 1.00 0.00 H new ATOM 0 HA HIS A 130 20.221 0.976 5.365 1.00 0.00 H new ATOM 0 HB2 HIS A 130 18.942 0.157 7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.033 -0.924 6.203 1.00 0.00 H new ATOM 0 HD1 HIS A 130 20.436 -1.370 8.681 1.00 0.00 H new ATOM 0 HD2 HIS A 130 20.191 -2.493 4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 130 21.879 -3.473 8.411 1.00 0.00 H new ATOM 1113 N THR A 131 18.484 -0.833 3.169 1.00 0.00 N ATOM 1114 CA THR A 131 18.558 -1.517 1.869 1.00 0.00 C ATOM 1115 C THR A 131 19.142 -0.620 0.757 1.00 0.00 C ATOM 1116 O THR A 131 19.765 -1.104 -0.190 1.00 0.00 O ATOM 1117 CB THR A 131 17.149 -2.095 1.572 1.00 0.00 C ATOM 1118 OG1 THR A 131 17.166 -3.457 1.926 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.588 -1.965 0.151 1.00 0.00 C ATOM 0 H THR A 131 17.540 -0.824 3.556 1.00 0.00 H new ATOM 0 HA THR A 131 19.269 -2.343 1.903 1.00 0.00 H new ATOM 0 HB THR A 131 16.474 -1.474 2.161 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.752 -3.571 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.597 -2.417 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.518 -0.911 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.250 -2.474 -0.549 1.00 0.00 H new ATOM 1127 N TRP A 132 19.002 0.694 0.894 1.00 0.00 N ATOM 1128 CA TRP A 132 19.512 1.695 -0.048 1.00 0.00 C ATOM 1129 C TRP A 132 21.011 1.883 0.091 1.00 0.00 C ATOM 1130 O TRP A 132 21.669 2.275 -0.876 1.00 0.00 O ATOM 1131 CB TRP A 132 18.767 3.019 0.171 1.00 0.00 C ATOM 1132 CG TRP A 132 17.611 3.302 -0.735 1.00 0.00 C ATOM 1133 CD1 TRP A 132 17.158 4.547 -0.993 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.904 2.422 -1.667 1.00 0.00 C ATOM 1135 NE1 TRP A 132 16.167 4.489 -1.942 1.00 0.00 N ATOM 1136 CE2 TRP A 132 16.031 3.226 -2.455 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.943 1.046 -1.988 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 15.297 2.720 -3.533 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 16.247 0.531 -3.090 1.00 0.00 C ATOM 1140 CH2 TRP A 132 15.489 1.383 -3.906 1.00 0.00 C ATOM 0 H TRP A 132 18.515 1.110 1.688 1.00 0.00 H new ATOM 0 HA TRP A 132 19.333 1.343 -1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.405 3.039 1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.485 3.833 0.070 1.00 0.00 H new ATOM 0 HD1 TRP A 132 17.520 5.451 -0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 132 15.602 5.288 -2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 132 17.522 0.376 -1.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 14.597 3.346 -4.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 16.295 -0.525 -3.311 1.00 0.00 H new ATOM 0 HH2 TRP A 132 15.054 1.009 -4.821 1.00 0.00 H new ATOM 1151 N GLU A 133 21.559 1.567 1.260 1.00 0.00 N ATOM 1152 CA GLU A 133 22.977 1.696 1.518 1.00 0.00 C ATOM 1153 C GLU A 133 23.765 0.722 0.640 1.00 0.00 C ATOM 1154 O GLU A 133 24.914 1.030 0.313 1.00 0.00 O ATOM 1155 CB GLU A 133 23.246 1.510 3.023 1.00 0.00 C ATOM 1156 CG GLU A 133 24.029 2.664 3.660 1.00 0.00 C ATOM 1157 CD GLU A 133 23.435 3.036 5.018 1.00 0.00 C ATOM 1158 OE1 GLU A 133 23.674 2.298 5.997 1.00 0.00 O ATOM 1159 OE2 GLU A 133 22.706 4.055 5.098 1.00 0.00 O ATOM 0 H GLU A 133 21.025 1.214 2.054 1.00 0.00 H new ATOM 0 HA GLU A 133 23.320 2.696 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.294 1.400 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.799 0.583 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.074 2.378 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.010 3.531 3.000 1.00 0.00 H new ATOM 1166 N GLN A 134 23.154 -0.396 0.213 1.00 0.00 N ATOM 1167 CA GLN A 134 23.720 -1.273 -0.805 1.00 0.00 C ATOM 1168 C GLN A 134 23.616 -0.631 -2.187 1.00 0.00 C ATOM 1169 O GLN A 134 24.661 -0.336 -2.763 1.00 0.00 O ATOM 1170 CB GLN A 134 23.095 -2.680 -0.804 1.00 0.00 C ATOM 1171 CG GLN A 134 23.549 -3.509 0.405 1.00 0.00 C ATOM 1172 CD GLN A 134 23.610 -5.006 0.092 1.00 0.00 C ATOM 1173 OE1 GLN A 134 22.651 -5.743 0.317 1.00 0.00 O ATOM 1174 NE2 GLN A 134 24.735 -5.493 -0.405 1.00 0.00 N ATOM 0 H GLN A 134 22.252 -0.711 0.570 1.00 0.00 H new ATOM 0 HA GLN A 134 24.772 -1.405 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 134 22.008 -2.594 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 134 23.368 -3.199 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 134 24.532 -3.167 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 134 22.864 -3.341 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 134 25.523 -4.872 -0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 134 24.814 -6.490 -0.606 1.00 0.00 H new ATOM 1183 N MET A 135 22.401 -0.412 -2.732 1.00 0.00 N ATOM 1184 CA MET A 135 22.265 -0.101 -4.161 1.00 0.00 C ATOM 1185 C MET A 135 23.072 1.130 -4.594 1.00 0.00 C ATOM 1186 O MET A 135 23.451 1.214 -5.759 1.00 0.00 O ATOM 1187 CB MET A 135 20.805 0.090 -4.594 1.00 0.00 C ATOM 1188 CG MET A 135 19.938 -1.169 -4.582 1.00 0.00 C ATOM 1189 SD MET A 135 18.892 -1.313 -6.060 1.00 0.00 S ATOM 1190 CE MET A 135 17.727 0.048 -5.807 1.00 0.00 C ATOM 0 H MET A 135 21.522 -0.445 -2.215 1.00 0.00 H new ATOM 0 HA MET A 135 22.673 -0.978 -4.662 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.346 0.831 -3.940 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.796 0.505 -5.602 1.00 0.00 H new ATOM 0 HG2 MET A 135 20.580 -2.047 -4.509 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.306 -1.162 -3.694 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.720 -0.352 -5.686 1.00 0.00 H new ATOM 0 HE2 MET A 135 18.006 0.604 -4.912 1.00 0.00 H new ATOM 0 HE3 MET A 135 17.752 0.713 -6.670 1.00 0.00 H new ATOM 1200 N GLY A 136 23.376 2.062 -3.686 1.00 0.00 N ATOM 1201 CA GLY A 136 24.275 3.169 -3.988 1.00 0.00 C ATOM 1202 C GLY A 136 23.553 4.369 -4.581 1.00 0.00 C ATOM 1203 O GLY A 136 24.217 5.312 -5.027 1.00 0.00 O ATOM 0 H GLY A 136 23.009 2.068 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.788 3.474 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.040 2.830 -4.686 1.00 0.00 H new ATOM 1207 N LEU A 137 22.215 4.382 -4.546 1.00 0.00 N ATOM 1208 CA LEU A 137 21.407 5.519 -4.954 1.00 0.00 C ATOM 1209 C LEU A 137 21.425 6.517 -3.808 1.00 0.00 C ATOM 1210 O LEU A 137 20.441 6.718 -3.092 1.00 0.00 O ATOM 1211 CB LEU A 137 19.968 5.113 -5.332 1.00 0.00 C ATOM 1212 CG LEU A 137 19.801 4.303 -6.632 1.00 0.00 C ATOM 1213 CD1 LEU A 137 20.615 4.792 -7.815 1.00 0.00 C ATOM 1214 CD2 LEU A 137 20.069 2.818 -6.411 1.00 0.00 C ATOM 0 H LEU A 137 21.662 3.586 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 137 21.825 5.964 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.551 4.530 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 137 19.369 6.020 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 137 18.756 4.463 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 137 20.424 4.153 -8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 137 20.331 5.817 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.676 4.758 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 137 19.941 2.281 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 137 21.089 2.682 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.369 2.428 -5.672 1.00 0.00 H new ATOM 1226 N ARG A 138 22.579 7.160 -3.635 1.00 0.00 N ATOM 1227 CA ARG A 138 22.781 8.110 -2.568 1.00 0.00 C ATOM 1228 C ARG A 138 21.813 9.266 -2.727 1.00 0.00 C ATOM 1229 O ARG A 138 21.269 9.719 -1.730 1.00 0.00 O ATOM 1230 CB ARG A 138 24.229 8.587 -2.587 1.00 0.00 C ATOM 1231 CG ARG A 138 24.673 9.106 -1.228 1.00 0.00 C ATOM 1232 CD ARG A 138 26.172 9.394 -1.286 1.00 0.00 C ATOM 1233 NE ARG A 138 26.542 10.264 -0.169 1.00 0.00 N ATOM 1234 CZ ARG A 138 27.637 11.009 -0.039 1.00 0.00 C ATOM 1235 NH1 ARG A 138 28.677 10.873 -0.860 1.00 0.00 N ATOM 1236 NH2 ARG A 138 27.654 11.916 0.927 1.00 0.00 N ATOM 0 H ARG A 138 23.393 7.030 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 138 22.588 7.641 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.878 7.766 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.342 9.375 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 138 24.123 10.011 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.458 8.370 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 138 26.735 8.462 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.426 9.871 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 138 25.879 10.304 0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 138 28.647 10.184 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 138 29.504 11.458 -0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 138 26.846 12.024 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 138 28.476 12.506 1.058 1.00 0.00 H new ATOM 1250 N SER A 139 21.550 9.689 -3.966 1.00 0.00 N ATOM 1251 CA SER A 139 20.577 10.712 -4.316 1.00 0.00 C ATOM 1252 C SER A 139 19.232 10.419 -3.656 1.00 0.00 C ATOM 1253 O SER A 139 18.653 11.301 -3.033 1.00 0.00 O ATOM 1254 CB SER A 139 20.426 10.764 -5.845 1.00 0.00 C ATOM 1255 OG SER A 139 21.640 10.426 -6.490 1.00 0.00 O ATOM 0 H SER A 139 22.031 9.309 -4.781 1.00 0.00 H new ATOM 0 HA SER A 139 20.926 11.680 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 139 19.640 10.077 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 139 20.115 11.764 -6.149 1.00 0.00 H new ATOM 0 HG SER A 139 21.643 9.469 -6.700 1.00 0.00 H new ATOM 1261 N LEU A 140 18.752 9.176 -3.761 1.00 0.00 N ATOM 1262 CA LEU A 140 17.468 8.747 -3.224 1.00 0.00 C ATOM 1263 C LEU A 140 17.481 8.831 -1.704 1.00 0.00 C ATOM 1264 O LEU A 140 16.567 9.393 -1.106 1.00 0.00 O ATOM 1265 CB LEU A 140 17.172 7.291 -3.630 1.00 0.00 C ATOM 1266 CG LEU A 140 16.381 7.064 -4.926 1.00 0.00 C ATOM 1267 CD1 LEU A 140 14.953 7.594 -4.783 1.00 0.00 C ATOM 1268 CD2 LEU A 140 17.030 7.617 -6.191 1.00 0.00 C ATOM 0 H LEU A 140 19.260 8.428 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 140 16.698 9.404 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 140 18.123 6.767 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.624 6.819 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 140 16.372 5.983 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 140 14.407 7.424 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 140 14.452 7.073 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 140 14.981 8.662 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.393 7.405 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 140 17.159 8.695 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 140 18.003 7.147 -6.336 1.00 0.00 H new ATOM 1280 N CYS A 141 18.484 8.219 -1.073 1.00 0.00 N ATOM 1281 CA CYS A 141 18.570 8.151 0.380 1.00 0.00 C ATOM 1282 C CYS A 141 18.706 9.546 0.989 1.00 0.00 C ATOM 1283 O CYS A 141 18.051 9.846 1.988 1.00 0.00 O ATOM 1284 CB CYS A 141 19.757 7.273 0.761 1.00 0.00 C ATOM 1285 SG CYS A 141 19.714 6.989 2.551 1.00 0.00 S ATOM 0 H CYS A 141 19.256 7.759 -1.556 1.00 0.00 H new ATOM 0 HA CYS A 141 17.653 7.716 0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 141 19.713 6.324 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.692 7.756 0.477 1.00 0.00 H new ATOM 0 HG CYS A 141 20.719 6.239 2.896 1.00 0.00 H new ATOM 1291 N ALA A 142 19.548 10.380 0.376 1.00 0.00 N ATOM 1292 CA ALA A 142 19.726 11.779 0.691 1.00 0.00 C ATOM 1293 C ALA A 142 18.370 12.467 0.577 1.00 0.00 C ATOM 1294 O ALA A 142 17.847 12.889 1.599 1.00 0.00 O ATOM 1295 CB ALA A 142 20.817 12.358 -0.217 1.00 0.00 C ATOM 0 H ALA A 142 20.149 10.073 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 142 20.073 11.940 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.959 13.414 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.751 11.822 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.518 12.251 -1.260 1.00 0.00 H new ATOM 1301 N GLN A 143 17.738 12.486 -0.601 1.00 0.00 N ATOM 1302 CA GLN A 143 16.406 13.058 -0.819 1.00 0.00 C ATOM 1303 C GLN A 143 15.364 12.561 0.192 1.00 0.00 C ATOM 1304 O GLN A 143 14.428 13.292 0.521 1.00 0.00 O ATOM 1305 CB GLN A 143 15.935 12.736 -2.245 1.00 0.00 C ATOM 1306 CG GLN A 143 16.567 13.641 -3.314 1.00 0.00 C ATOM 1307 CD GLN A 143 15.956 15.040 -3.319 1.00 0.00 C ATOM 1308 OE1 GLN A 143 14.763 15.228 -3.084 1.00 0.00 O ATOM 1309 NE2 GLN A 143 16.736 16.070 -3.583 1.00 0.00 N ATOM 0 H GLN A 143 18.148 12.095 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 143 16.496 14.135 -0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.172 11.697 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.850 12.833 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 143 17.640 13.715 -3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 143 16.437 13.186 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 143 17.726 15.923 -3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 143 16.349 17.014 -3.591 1.00 0.00 H new ATOM 1318 N ALA A 144 15.473 11.325 0.679 1.00 0.00 N ATOM 1319 CA ALA A 144 14.541 10.748 1.634 1.00 0.00 C ATOM 1320 C ALA A 144 14.824 11.191 3.081 1.00 0.00 C ATOM 1321 O ALA A 144 14.002 10.871 3.939 1.00 0.00 O ATOM 1322 CB ALA A 144 14.540 9.218 1.487 1.00 0.00 C ATOM 0 H ALA A 144 16.226 10.690 0.413 1.00 0.00 H new ATOM 0 HA ALA A 144 13.543 11.124 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 144 13.842 8.784 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.236 8.950 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.542 8.833 1.679 1.00 0.00 H new ATOM 1328 N GLN A 145 15.928 11.891 3.393 1.00 0.00 N ATOM 1329 CA GLN A 145 16.387 12.126 4.767 1.00 0.00 C ATOM 1330 C GLN A 145 17.109 13.482 4.935 1.00 0.00 C ATOM 1331 O GLN A 145 17.896 13.649 5.872 1.00 0.00 O ATOM 1332 CB GLN A 145 17.291 10.962 5.217 1.00 0.00 C ATOM 1333 CG GLN A 145 16.555 9.615 5.261 1.00 0.00 C ATOM 1334 CD GLN A 145 17.403 8.538 5.914 1.00 0.00 C ATOM 1335 OE1 GLN A 145 17.060 7.998 6.955 1.00 0.00 O ATOM 1336 NE2 GLN A 145 18.519 8.187 5.307 1.00 0.00 N ATOM 0 H GLN A 145 16.532 12.313 2.688 1.00 0.00 H new ATOM 0 HA GLN A 145 15.504 12.171 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 145 18.140 10.884 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 145 17.693 11.183 6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 145 15.621 9.728 5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.293 9.309 4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 145 18.793 8.646 4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.108 7.456 5.706 1.00 0.00 H new