USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 803 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 36 LYS NZ :NH3+ -138:sc= 0.785 (180deg=-0.104) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 14 TYR OH : rot -147:sc= -2.01 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.157 K(o=-0.16,f=-1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.79) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 160:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.000399 X(o=-0.0004,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.1) USER MOD Single : A 53 HIS : no HE2:sc= -6.23! C(o=-6.2!,f=-4.2!) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= -0.307 (180deg=-0.458) USER MOD Single : A 55 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.41) USER MOD Single : A 57 THR OG1 : rot -23:sc= 0.329 USER MOD Single : A 58 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.0037) USER MOD Single : A 59 MET CE :methyl 154:sc= -1.29 (180deg=-3.16!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -134:sc= -0.894 (180deg=-3.99!) USER MOD Single : A 65 SER OG : rot -67:sc= 0.0608 USER MOD Single : A 70 HIS : no HE2:sc= -4.23! C(o=-4.2!,f=-7.1!) USER MOD Single : A 71 TYR OH : rot 148:sc= 0.502 USER MOD Single : A 72 TYR OH : rot -34:sc= -0.354 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0664) USER MOD Single : A 83 GLN : amide:sc= -0.878 K(o=-0.88,f=-4.8!) USER MOD Single : A 90 MET CE :methyl 156:sc= -3.3! (180deg=-5.21!) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0278) USER MOD Single : A 109 SER OG : rot 73:sc= 1.16 USER MOD Single : A 110 GLN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -9.948 11.728 11.156 1.00 0.00 N ATOM 102 CA LEU A 10 -8.514 11.461 11.187 1.00 0.00 C ATOM 103 C LEU A 10 -8.096 10.596 10.002 1.00 0.00 C ATOM 104 O LEU A 10 -8.929 9.948 9.368 1.00 0.00 O ATOM 105 CB LEU A 10 -8.131 10.771 12.497 1.00 0.00 C ATOM 106 CG LEU A 10 -8.325 11.595 13.771 1.00 0.00 C ATOM 107 CD1 LEU A 10 -8.316 10.693 14.996 1.00 0.00 C ATOM 108 CD2 LEU A 10 -7.248 12.663 13.885 1.00 0.00 C ATOM 0 HA LEU A 10 -7.991 12.415 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.717 9.856 12.587 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.084 10.475 12.436 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.294 12.090 13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.455 11.296 15.893 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.124 9.966 14.918 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.362 10.169 15.055 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.402 13.239 14.797 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.267 12.189 13.917 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.302 13.328 13.023 1.00 0.00 H new ATOM 120 N LEU A 11 -6.800 10.588 9.710 1.00 0.00 N ATOM 121 CA LEU A 11 -6.269 9.800 8.603 1.00 0.00 C ATOM 122 C LEU A 11 -5.709 8.471 9.100 1.00 0.00 C ATOM 123 O LEU A 11 -6.233 7.405 8.776 1.00 0.00 O ATOM 124 CB LEU A 11 -5.180 10.583 7.869 1.00 0.00 C ATOM 125 CG LEU A 11 -4.152 9.749 7.105 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.842 8.834 6.106 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.149 10.651 6.401 1.00 0.00 C ATOM 0 H LEU A 11 -6.097 11.119 10.225 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.086 9.593 7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.661 11.263 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.650 11.198 8.596 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.612 9.129 7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.094 8.248 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.519 8.163 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.409 9.434 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.425 10.039 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.673 11.298 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.630 11.263 7.139 1.00 0.00 H new ATOM 139 N TRP A 12 -4.643 8.543 9.888 1.00 0.00 N ATOM 140 CA TRP A 12 -4.012 7.345 10.432 1.00 0.00 C ATOM 141 C TRP A 12 -5.050 6.265 10.715 1.00 0.00 C ATOM 142 O TRP A 12 -4.833 5.090 10.419 1.00 0.00 O ATOM 143 CB TRP A 12 -3.247 7.683 11.712 1.00 0.00 C ATOM 144 CG TRP A 12 -4.118 7.727 12.931 1.00 0.00 C ATOM 145 CD1 TRP A 12 -5.120 8.617 13.191 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.062 6.843 14.056 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.691 8.340 14.409 1.00 0.00 N ATOM 148 CE2 TRP A 12 -5.061 7.256 14.960 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.268 5.742 14.387 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.283 6.606 16.171 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.490 5.098 15.590 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.491 5.531 16.470 1.00 0.00 C ATOM 0 H TRP A 12 -4.197 9.418 10.165 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.311 6.964 9.689 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.461 6.943 11.863 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.757 8.649 11.589 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.420 9.421 12.535 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.460 8.858 14.834 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.495 5.400 13.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.054 6.939 16.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.881 4.246 15.856 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.640 5.006 17.402 1.00 0.00 H new ATOM 163 N ASP A 13 -6.177 6.669 11.290 1.00 0.00 N ATOM 164 CA ASP A 13 -7.249 5.735 11.612 1.00 0.00 C ATOM 165 C ASP A 13 -7.906 5.202 10.342 1.00 0.00 C ATOM 166 O ASP A 13 -8.074 3.994 10.179 1.00 0.00 O ATOM 167 CB ASP A 13 -8.297 6.413 12.497 1.00 0.00 C ATOM 168 CG ASP A 13 -9.437 5.482 12.860 1.00 0.00 C ATOM 169 OD1 ASP A 13 -9.253 4.642 13.766 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.515 5.595 12.240 1.00 0.00 O ATOM 0 H ASP A 13 -6.372 7.638 11.543 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.815 4.895 12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.821 6.772 13.409 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.695 7.286 11.980 1.00 0.00 H new ATOM 175 N TYR A 14 -8.275 6.112 9.447 1.00 0.00 N ATOM 176 CA TYR A 14 -8.916 5.734 8.194 1.00 0.00 C ATOM 177 C TYR A 14 -8.300 4.457 7.630 1.00 0.00 C ATOM 178 O TYR A 14 -8.952 3.707 6.903 1.00 0.00 O ATOM 179 CB TYR A 14 -8.794 6.866 7.172 1.00 0.00 C ATOM 180 CG TYR A 14 -9.025 6.422 5.746 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.308 6.167 5.276 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.961 6.257 4.868 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.524 5.761 3.973 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.168 5.852 3.563 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.451 5.605 3.121 1.00 0.00 C ATOM 186 OH TYR A 14 -9.660 5.201 1.822 1.00 0.00 O ATOM 0 H TYR A 14 -8.141 7.116 9.566 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.971 5.549 8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.512 7.648 7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.801 7.309 7.249 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.151 6.288 5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.955 6.448 5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.527 5.567 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.330 5.730 2.893 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.903 4.655 1.523 1.00 0.00 H new ATOM 196 N VAL A 15 -7.038 4.215 7.971 1.00 0.00 N ATOM 197 CA VAL A 15 -6.333 3.029 7.502 1.00 0.00 C ATOM 198 C VAL A 15 -7.039 1.755 7.952 1.00 0.00 C ATOM 199 O VAL A 15 -7.528 0.980 7.130 1.00 0.00 O ATOM 200 CB VAL A 15 -4.879 3.003 8.009 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.150 1.777 7.481 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.153 4.279 7.610 1.00 0.00 C ATOM 0 H VAL A 15 -6.483 4.825 8.571 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.330 3.074 6.413 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.893 2.946 9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.124 1.777 7.850 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.659 0.876 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.143 1.799 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.127 4.244 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.147 4.370 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.664 5.139 8.044 1.00 0.00 H new ATOM 212 N TYR A 16 -7.090 1.545 9.263 1.00 0.00 N ATOM 213 CA TYR A 16 -7.735 0.364 9.823 1.00 0.00 C ATOM 214 C TYR A 16 -9.021 0.036 9.069 1.00 0.00 C ATOM 215 O TYR A 16 -9.161 -1.047 8.502 1.00 0.00 O ATOM 216 CB TYR A 16 -8.042 0.580 11.306 1.00 0.00 C ATOM 217 CG TYR A 16 -8.065 -0.700 12.112 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.907 -1.441 12.309 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.246 -1.168 12.675 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.924 -2.611 13.044 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.272 -2.336 13.412 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.109 -3.054 13.593 1.00 0.00 C ATOM 223 OH TYR A 16 -8.131 -4.218 14.326 1.00 0.00 O ATOM 0 H TYR A 16 -6.692 2.178 9.957 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.049 -0.477 9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.296 1.252 11.729 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.008 1.076 11.400 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.977 -1.097 11.880 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.159 -0.609 12.534 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.014 -3.175 13.188 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.198 -2.685 13.844 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.043 -4.388 14.643 1.00 0.00 H new ATOM 233 N GLN A 17 -9.956 0.981 9.069 1.00 0.00 N ATOM 234 CA GLN A 17 -11.230 0.793 8.385 1.00 0.00 C ATOM 235 C GLN A 17 -11.048 -0.023 7.109 1.00 0.00 C ATOM 236 O GLN A 17 -11.830 -0.931 6.825 1.00 0.00 O ATOM 237 CB GLN A 17 -11.859 2.148 8.053 1.00 0.00 C ATOM 238 CG GLN A 17 -12.154 2.998 9.277 1.00 0.00 C ATOM 239 CD GLN A 17 -13.286 2.439 10.117 1.00 0.00 C ATOM 240 OE1 GLN A 17 -13.127 1.425 10.798 1.00 0.00 O ATOM 241 NE2 GLN A 17 -14.438 3.099 10.073 1.00 0.00 N ATOM 0 H GLN A 17 -9.855 1.883 9.534 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.895 0.245 9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.189 2.698 7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.786 1.984 7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.255 3.072 9.889 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.407 4.010 8.960 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.525 3.935 9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.235 2.770 10.617 1.00 0.00 H new ATOM 250 N LEU A 18 -10.013 0.306 6.345 1.00 0.00 N ATOM 251 CA LEU A 18 -9.729 -0.396 5.098 1.00 0.00 C ATOM 252 C LEU A 18 -9.238 -1.814 5.372 1.00 0.00 C ATOM 253 O LEU A 18 -9.863 -2.790 4.954 1.00 0.00 O ATOM 254 CB LEU A 18 -8.684 0.369 4.285 1.00 0.00 C ATOM 255 CG LEU A 18 -8.973 1.852 4.046 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.806 2.515 3.330 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.257 2.023 3.248 1.00 0.00 C ATOM 0 H LEU A 18 -9.356 1.054 6.567 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.654 -0.455 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.724 0.284 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.577 -0.120 3.317 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.102 2.338 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.030 3.569 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.906 2.424 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.644 2.027 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.447 3.084 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.156 1.523 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.089 1.585 3.799 1.00 0.00 H new ATOM 269 N LEU A 19 -8.118 -1.921 6.078 1.00 0.00 N ATOM 270 CA LEU A 19 -7.544 -3.220 6.411 1.00 0.00 C ATOM 271 C LEU A 19 -8.639 -4.239 6.707 1.00 0.00 C ATOM 272 O LEU A 19 -8.660 -5.328 6.133 1.00 0.00 O ATOM 273 CB LEU A 19 -6.610 -3.093 7.615 1.00 0.00 C ATOM 274 CG LEU A 19 -5.149 -2.770 7.301 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.615 -3.703 6.225 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.005 -1.318 6.869 1.00 0.00 C ATOM 0 H LEU A 19 -7.589 -1.124 6.431 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.972 -3.569 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.000 -2.315 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.642 -4.028 8.174 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.561 -2.919 8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.574 -3.458 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.682 -4.734 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.206 -3.586 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.959 -1.106 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.606 -1.143 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.347 -0.664 7.671 1.00 0.00 H new ATOM 288 N SER A 20 -9.549 -3.878 7.606 1.00 0.00 N ATOM 289 CA SER A 20 -10.647 -4.762 7.980 1.00 0.00 C ATOM 290 C SER A 20 -11.225 -5.460 6.752 1.00 0.00 C ATOM 291 O SER A 20 -11.189 -6.686 6.647 1.00 0.00 O ATOM 292 CB SER A 20 -11.745 -3.972 8.695 1.00 0.00 C ATOM 293 OG SER A 20 -12.598 -4.834 9.429 1.00 0.00 O ATOM 0 H SER A 20 -9.548 -2.980 8.089 1.00 0.00 H new ATOM 0 HA SER A 20 -10.255 -5.521 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.293 -3.243 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.329 -3.413 7.964 1.00 0.00 H new ATOM 0 HG SER A 20 -13.290 -4.305 9.878 1.00 0.00 H new ATOM 299 N ASP A 21 -11.758 -4.670 5.827 1.00 0.00 N ATOM 300 CA ASP A 21 -12.343 -5.210 4.605 1.00 0.00 C ATOM 301 C ASP A 21 -11.294 -5.950 3.781 1.00 0.00 C ATOM 302 O ASP A 21 -10.100 -5.668 3.881 1.00 0.00 O ATOM 303 CB ASP A 21 -12.965 -4.088 3.773 1.00 0.00 C ATOM 304 CG ASP A 21 -13.965 -3.266 4.563 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.608 -3.829 5.474 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.104 -2.060 4.271 1.00 0.00 O ATOM 0 H ASP A 21 -11.797 -3.653 5.900 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.123 -5.918 4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.175 -3.435 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.460 -4.517 2.902 1.00 0.00 H new ATOM 311 N SER A 22 -11.749 -6.898 2.968 1.00 0.00 N ATOM 312 CA SER A 22 -10.849 -7.682 2.130 1.00 0.00 C ATOM 313 C SER A 22 -10.892 -7.197 0.685 1.00 0.00 C ATOM 314 O SER A 22 -9.983 -7.470 -0.100 1.00 0.00 O ATOM 315 CB SER A 22 -11.222 -9.165 2.194 1.00 0.00 C ATOM 316 OG SER A 22 -12.480 -9.401 1.585 1.00 0.00 O ATOM 0 H SER A 22 -12.735 -7.142 2.872 1.00 0.00 H new ATOM 0 HA SER A 22 -9.835 -7.553 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.456 -9.758 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.251 -9.492 3.234 1.00 0.00 H new ATOM 0 HG SER A 22 -12.695 -10.356 1.637 1.00 0.00 H new ATOM 322 N ARG A 23 -11.953 -6.475 0.340 1.00 0.00 N ATOM 323 CA ARG A 23 -12.116 -5.952 -1.011 1.00 0.00 C ATOM 324 C ARG A 23 -11.110 -4.839 -1.288 1.00 0.00 C ATOM 325 O ARG A 23 -10.977 -4.376 -2.421 1.00 0.00 O ATOM 326 CB ARG A 23 -13.540 -5.429 -1.210 1.00 0.00 C ATOM 327 CG ARG A 23 -14.576 -6.529 -1.375 1.00 0.00 C ATOM 328 CD ARG A 23 -15.990 -5.985 -1.254 1.00 0.00 C ATOM 329 NE ARG A 23 -16.993 -6.983 -1.615 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.158 -7.446 -2.849 1.00 0.00 C ATOM 331 NH1 ARG A 23 -16.389 -7.004 -3.835 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.093 -8.354 -3.098 1.00 0.00 N ATOM 0 H ARG A 23 -12.713 -6.239 0.978 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.934 -6.766 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.813 -4.810 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.562 -4.786 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.450 -7.006 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.415 -7.298 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.163 -5.650 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.099 -5.112 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.600 -7.344 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.669 -6.307 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.518 -7.361 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.685 -8.697 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.219 -8.709 -4.046 1.00 0.00 H new ATOM 346 N TYR A 24 -10.405 -4.414 -0.245 1.00 0.00 N ATOM 347 CA TYR A 24 -9.413 -3.353 -0.375 1.00 0.00 C ATOM 348 C TYR A 24 -7.999 -3.926 -0.374 1.00 0.00 C ATOM 349 O TYR A 24 -7.039 -3.237 -0.717 1.00 0.00 O ATOM 350 CB TYR A 24 -9.566 -2.341 0.761 1.00 0.00 C ATOM 351 CG TYR A 24 -10.873 -1.582 0.724 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.088 -2.247 0.834 1.00 0.00 C ATOM 353 CD2 TYR A 24 -10.893 -0.200 0.578 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.285 -1.558 0.800 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.085 0.497 0.545 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.279 -0.186 0.656 1.00 0.00 C ATOM 357 OH TYR A 24 -14.468 0.505 0.621 1.00 0.00 O ATOM 0 H TYR A 24 -10.502 -4.788 0.699 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.580 -2.849 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.486 -2.863 1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.741 -1.630 0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.097 -3.321 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.961 0.338 0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.221 -2.091 0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.083 1.571 0.433 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.287 1.462 0.516 1.00 0.00 H new ATOM 367 N GLU A 25 -7.881 -5.192 0.013 1.00 0.00 N ATOM 368 CA GLU A 25 -6.584 -5.858 0.060 1.00 0.00 C ATOM 369 C GLU A 25 -5.667 -5.341 -1.045 1.00 0.00 C ATOM 370 O GLU A 25 -4.510 -5.005 -0.799 1.00 0.00 O ATOM 371 CB GLU A 25 -6.759 -7.372 -0.074 1.00 0.00 C ATOM 372 CG GLU A 25 -5.801 -8.174 0.790 1.00 0.00 C ATOM 373 CD GLU A 25 -4.491 -8.472 0.086 1.00 0.00 C ATOM 374 OE1 GLU A 25 -4.381 -8.160 -1.118 1.00 0.00 O ATOM 375 OE2 GLU A 25 -3.576 -9.016 0.739 1.00 0.00 O ATOM 0 H GLU A 25 -8.667 -5.777 0.298 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.124 -5.636 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.783 -7.636 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.618 -7.655 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.598 -7.624 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.276 -9.112 1.078 1.00 0.00 H new ATOM 382 N ASN A 26 -6.194 -5.282 -2.264 1.00 0.00 N ATOM 383 CA ASN A 26 -5.424 -4.807 -3.408 1.00 0.00 C ATOM 384 C ASN A 26 -4.815 -3.438 -3.123 1.00 0.00 C ATOM 385 O ASN A 26 -3.628 -3.213 -3.357 1.00 0.00 O ATOM 386 CB ASN A 26 -6.311 -4.735 -4.652 1.00 0.00 C ATOM 387 CG ASN A 26 -7.307 -5.877 -4.719 1.00 0.00 C ATOM 388 OD1 ASN A 26 -7.005 -7.003 -4.324 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.502 -5.590 -5.221 1.00 0.00 N ATOM 0 H ASN A 26 -7.151 -5.557 -2.485 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.614 -5.514 -3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.849 -3.787 -4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.684 -4.751 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.214 -6.317 -5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.708 -4.642 -5.536 1.00 0.00 H new ATOM 396 N PHE A 27 -5.637 -2.525 -2.616 1.00 0.00 N ATOM 397 CA PHE A 27 -5.181 -1.177 -2.299 1.00 0.00 C ATOM 398 C PHE A 27 -4.273 -1.184 -1.073 1.00 0.00 C ATOM 399 O PHE A 27 -3.254 -0.494 -1.038 1.00 0.00 O ATOM 400 CB PHE A 27 -6.377 -0.254 -2.057 1.00 0.00 C ATOM 401 CG PHE A 27 -7.158 0.055 -3.302 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.535 0.617 -4.404 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.515 -0.217 -3.370 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.251 0.902 -5.552 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.236 0.066 -4.515 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.603 0.627 -5.607 1.00 0.00 C ATOM 0 H PHE A 27 -6.623 -2.694 -2.416 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.610 -0.804 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.041 -0.717 -1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.023 0.679 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.478 0.835 -4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.015 -0.655 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.753 1.339 -6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.293 -0.151 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.164 0.850 -6.502 1.00 0.00 H new ATOM 416 N ILE A 28 -4.651 -1.968 -0.069 1.00 0.00 N ATOM 417 CA ILE A 28 -3.872 -2.066 1.159 1.00 0.00 C ATOM 418 C ILE A 28 -4.159 -3.372 1.890 1.00 0.00 C ATOM 419 O ILE A 28 -5.316 -3.750 2.076 1.00 0.00 O ATOM 420 CB ILE A 28 -4.162 -0.886 2.106 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.324 -1.008 3.380 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.644 -0.830 2.443 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.171 0.297 4.129 1.00 0.00 C ATOM 0 H ILE A 28 -5.492 -2.545 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.822 -2.039 0.869 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.889 0.041 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.784 -1.744 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.335 -1.387 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.833 0.009 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.221 -0.700 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.942 -1.758 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.566 0.136 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.683 1.030 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.154 0.667 4.420 1.00 0.00 H new ATOM 435 N ARG A 29 -3.099 -4.058 2.305 1.00 0.00 N ATOM 436 CA ARG A 29 -3.237 -5.323 3.016 1.00 0.00 C ATOM 437 C ARG A 29 -2.323 -5.363 4.237 1.00 0.00 C ATOM 438 O ARG A 29 -1.458 -4.503 4.405 1.00 0.00 O ATOM 439 CB ARG A 29 -2.916 -6.494 2.087 1.00 0.00 C ATOM 440 CG ARG A 29 -1.571 -6.366 1.389 1.00 0.00 C ATOM 441 CD ARG A 29 -1.517 -7.210 0.125 1.00 0.00 C ATOM 442 NE ARG A 29 -1.036 -8.563 0.390 1.00 0.00 N ATOM 443 CZ ARG A 29 0.245 -8.867 0.565 1.00 0.00 C ATOM 444 NH1 ARG A 29 1.169 -7.918 0.503 1.00 0.00 N ATOM 445 NH2 ARG A 29 0.605 -10.122 0.803 1.00 0.00 N ATOM 0 H ARG A 29 -2.135 -3.759 2.161 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.270 -5.409 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.930 -7.419 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.700 -6.576 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.388 -5.321 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.776 -6.675 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.511 -7.259 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.864 -6.730 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.722 -9.316 0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.897 -6.952 0.321 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.152 -8.154 0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.103 -10.855 0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.589 -10.354 0.937 1.00 0.00 H new ATOM 459 N TRP A 30 -2.520 -6.365 5.085 1.00 0.00 N ATOM 460 CA TRP A 30 -1.713 -6.516 6.291 1.00 0.00 C ATOM 461 C TRP A 30 -0.374 -7.172 5.971 1.00 0.00 C ATOM 462 O TRP A 30 -0.327 -8.244 5.369 1.00 0.00 O ATOM 463 CB TRP A 30 -2.466 -7.347 7.332 1.00 0.00 C ATOM 464 CG TRP A 30 -3.424 -6.540 8.155 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.775 -6.716 8.248 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.103 -5.430 9.001 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.314 -5.782 9.099 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.309 -4.982 9.575 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.915 -4.771 9.330 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.358 -3.906 10.458 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.966 -3.704 10.205 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.180 -3.280 10.762 1.00 0.00 C ATOM 0 H TRP A 30 -3.231 -7.085 4.961 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.522 -5.523 6.698 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.013 -8.142 6.825 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.745 -7.828 7.993 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.337 -7.478 7.729 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.302 -5.698 9.338 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.974 -5.091 8.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.293 -3.577 10.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.054 -3.187 10.465 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.186 -2.443 11.444 1.00 0.00 H new ATOM 483 N GLU A 31 0.711 -6.520 6.378 1.00 0.00 N ATOM 484 CA GLU A 31 2.051 -7.041 6.133 1.00 0.00 C ATOM 485 C GLU A 31 2.473 -8.000 7.243 1.00 0.00 C ATOM 486 O GLU A 31 2.813 -9.154 6.985 1.00 0.00 O ATOM 487 CB GLU A 31 3.057 -5.893 6.025 1.00 0.00 C ATOM 488 CG GLU A 31 3.230 -5.368 4.611 1.00 0.00 C ATOM 489 CD GLU A 31 3.723 -6.432 3.649 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.939 -6.714 3.648 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.891 -6.982 2.897 1.00 0.00 O ATOM 0 H GLU A 31 0.688 -5.631 6.878 1.00 0.00 H new ATOM 0 HA GLU A 31 2.034 -7.589 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.734 -5.076 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.023 -6.231 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.278 -4.975 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.935 -4.537 4.620 1.00 0.00 H new ATOM 498 N ASP A 32 2.449 -7.512 8.479 1.00 0.00 N ATOM 499 CA ASP A 32 2.828 -8.324 9.629 1.00 0.00 C ATOM 500 C ASP A 32 1.783 -8.221 10.735 1.00 0.00 C ATOM 501 O ASP A 32 1.943 -7.456 11.686 1.00 0.00 O ATOM 502 CB ASP A 32 4.195 -7.888 10.159 1.00 0.00 C ATOM 503 CG ASP A 32 4.966 -9.034 10.784 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.324 -10.014 11.217 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.211 -8.951 10.841 1.00 0.00 O ATOM 0 H ASP A 32 2.171 -6.558 8.710 1.00 0.00 H new ATOM 0 HA ASP A 32 2.887 -9.363 9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.779 -7.463 9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.060 -7.099 10.899 1.00 0.00 H new ATOM 510 N LYS A 33 0.712 -8.997 10.604 1.00 0.00 N ATOM 511 CA LYS A 33 -0.361 -8.994 11.592 1.00 0.00 C ATOM 512 C LYS A 33 0.199 -9.137 13.003 1.00 0.00 C ATOM 513 O LYS A 33 -0.448 -8.757 13.978 1.00 0.00 O ATOM 514 CB LYS A 33 -1.348 -10.128 11.306 1.00 0.00 C ATOM 515 CG LYS A 33 -2.462 -9.738 10.350 1.00 0.00 C ATOM 516 CD LYS A 33 -3.655 -9.157 11.091 1.00 0.00 C ATOM 517 CE LYS A 33 -4.934 -9.289 10.279 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.526 -10.650 10.394 1.00 0.00 N ATOM 0 H LYS A 33 0.564 -9.636 9.823 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.883 -8.040 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.804 -10.976 10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.787 -10.462 12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.088 -9.008 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.777 -10.613 9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.775 -9.668 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.470 -8.106 11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.658 -8.548 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.723 -9.072 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.396 -10.699 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.845 -11.355 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.751 -10.848 11.390 1.00 0.00 H new ATOM 532 N GLU A 34 1.406 -9.685 13.104 1.00 0.00 N ATOM 533 CA GLU A 34 2.052 -9.877 14.397 1.00 0.00 C ATOM 534 C GLU A 34 2.329 -8.536 15.071 1.00 0.00 C ATOM 535 O GLU A 34 2.119 -8.378 16.273 1.00 0.00 O ATOM 536 CB GLU A 34 3.359 -10.655 14.229 1.00 0.00 C ATOM 537 CG GLU A 34 3.161 -12.076 13.731 1.00 0.00 C ATOM 538 CD GLU A 34 2.466 -12.960 14.748 1.00 0.00 C ATOM 539 OE1 GLU A 34 3.119 -13.351 15.738 1.00 0.00 O ATOM 540 OE2 GLU A 34 1.269 -13.260 14.555 1.00 0.00 O ATOM 0 H GLU A 34 1.956 -10.004 12.306 1.00 0.00 H new ATOM 0 HA GLU A 34 1.375 -10.450 15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.003 -10.121 13.531 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.881 -10.684 15.186 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.575 -12.056 12.812 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.130 -12.508 13.482 1.00 0.00 H new ATOM 547 N SER A 35 2.802 -7.573 14.286 1.00 0.00 N ATOM 548 CA SER A 35 3.113 -6.246 14.807 1.00 0.00 C ATOM 549 C SER A 35 2.212 -5.190 14.174 1.00 0.00 C ATOM 550 O SER A 35 2.569 -4.014 14.103 1.00 0.00 O ATOM 551 CB SER A 35 4.580 -5.903 14.546 1.00 0.00 C ATOM 552 OG SER A 35 5.101 -5.077 15.573 1.00 0.00 O ATOM 0 H SER A 35 2.978 -7.686 13.288 1.00 0.00 H new ATOM 0 HA SER A 35 2.935 -6.254 15.882 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.165 -6.820 14.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.673 -5.397 13.585 1.00 0.00 H new ATOM 0 HG SER A 35 6.080 -5.131 15.571 1.00 0.00 H new ATOM 558 N LYS A 36 1.041 -5.618 13.715 1.00 0.00 N ATOM 559 CA LYS A 36 0.086 -4.712 13.088 1.00 0.00 C ATOM 560 C LYS A 36 0.766 -3.856 12.024 1.00 0.00 C ATOM 561 O LYS A 36 0.513 -2.655 11.926 1.00 0.00 O ATOM 562 CB LYS A 36 -0.563 -3.813 14.143 1.00 0.00 C ATOM 563 CG LYS A 36 -1.623 -4.516 14.973 1.00 0.00 C ATOM 564 CD LYS A 36 -1.878 -3.791 16.283 1.00 0.00 C ATOM 565 CE LYS A 36 -0.840 -4.155 17.333 1.00 0.00 C ATOM 566 NZ LYS A 36 -0.717 -3.104 18.381 1.00 0.00 N ATOM 0 H LYS A 36 0.730 -6.588 13.766 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.686 -5.313 12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.211 -3.430 14.807 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.013 -2.953 13.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.550 -4.577 14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.307 -5.539 15.178 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.863 -2.714 16.113 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.873 -4.042 16.651 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.112 -5.102 17.799 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.127 -4.303 16.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.287 -2.955 18.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.129 -2.215 18.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.223 -3.407 19.238 1.00 0.00 H new ATOM 580 N ILE A 37 1.628 -4.482 11.230 1.00 0.00 N ATOM 581 CA ILE A 37 2.342 -3.777 10.172 1.00 0.00 C ATOM 582 C ILE A 37 1.530 -3.755 8.882 1.00 0.00 C ATOM 583 O ILE A 37 1.193 -4.802 8.329 1.00 0.00 O ATOM 584 CB ILE A 37 3.712 -4.421 9.892 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.435 -4.726 11.206 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.557 -3.508 9.016 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.762 -5.428 11.017 1.00 0.00 C ATOM 0 H ILE A 37 1.849 -5.475 11.299 1.00 0.00 H new ATOM 0 HA ILE A 37 2.494 -2.755 10.520 1.00 0.00 H new ATOM 0 HB ILE A 37 3.554 -5.359 9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.600 -3.793 11.745 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.791 -5.346 11.830 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.523 -3.977 8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.045 -3.336 8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.709 -2.556 9.524 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.218 -5.612 11.990 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.602 -6.377 10.505 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.424 -4.801 10.419 1.00 0.00 H new ATOM 599 N PHE A 38 1.219 -2.554 8.405 1.00 0.00 N ATOM 600 CA PHE A 38 0.446 -2.394 7.179 1.00 0.00 C ATOM 601 C PHE A 38 1.246 -1.628 6.129 1.00 0.00 C ATOM 602 O PHE A 38 2.124 -0.832 6.461 1.00 0.00 O ATOM 603 CB PHE A 38 -0.867 -1.665 7.469 1.00 0.00 C ATOM 604 CG PHE A 38 -0.677 -0.253 7.942 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.135 0.006 9.191 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.039 0.816 7.139 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.040 1.305 9.630 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.865 2.117 7.572 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.324 2.362 8.818 1.00 0.00 C ATOM 0 H PHE A 38 1.491 -1.677 8.849 1.00 0.00 H new ATOM 0 HA PHE A 38 0.222 -3.386 6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.477 -1.658 6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.423 -2.221 8.224 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.154 -0.816 9.829 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.462 0.631 6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.461 1.494 10.607 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.152 2.941 6.936 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.186 3.378 9.158 1.00 0.00 H new ATOM 619 N ARG A 39 0.934 -1.875 4.860 1.00 0.00 N ATOM 620 CA ARG A 39 1.624 -1.210 3.761 1.00 0.00 C ATOM 621 C ARG A 39 0.644 -0.832 2.654 1.00 0.00 C ATOM 622 O ARG A 39 -0.138 -1.664 2.194 1.00 0.00 O ATOM 623 CB ARG A 39 2.722 -2.114 3.198 1.00 0.00 C ATOM 624 CG ARG A 39 3.377 -1.566 1.941 1.00 0.00 C ATOM 625 CD ARG A 39 3.962 -2.680 1.087 1.00 0.00 C ATOM 626 NE ARG A 39 4.512 -2.176 -0.168 1.00 0.00 N ATOM 627 CZ ARG A 39 5.608 -1.430 -0.242 1.00 0.00 C ATOM 628 NH1 ARG A 39 6.268 -1.103 0.861 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.047 -1.009 -1.422 1.00 0.00 N ATOM 0 H ARG A 39 0.209 -2.530 4.568 1.00 0.00 H new ATOM 0 HA ARG A 39 2.078 -0.298 4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.486 -2.261 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.297 -3.094 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.642 -1.008 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.165 -0.865 2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.745 -3.192 1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.188 -3.417 0.873 1.00 0.00 H new ATOM 0 HE ARG A 39 4.028 -2.410 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.934 -1.425 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.110 -0.530 0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.542 -1.259 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.889 -0.436 -1.478 1.00 0.00 H new ATOM 643 N ILE A 40 0.693 0.427 2.233 1.00 0.00 N ATOM 644 CA ILE A 40 -0.190 0.915 1.180 1.00 0.00 C ATOM 645 C ILE A 40 0.213 0.352 -0.179 1.00 0.00 C ATOM 646 O ILE A 40 1.125 0.862 -0.829 1.00 0.00 O ATOM 647 CB ILE A 40 -0.185 2.453 1.108 1.00 0.00 C ATOM 648 CG1 ILE A 40 -1.017 3.042 2.249 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.715 2.922 -0.238 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.852 4.537 2.409 1.00 0.00 C ATOM 0 H ILE A 40 1.334 1.128 2.604 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.195 0.575 1.428 1.00 0.00 H new ATOM 0 HB ILE A 40 0.842 2.803 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.069 2.818 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.738 2.552 3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.705 4.011 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.085 2.527 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.736 2.564 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.471 4.885 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.193 4.768 2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.159 5.037 1.491 1.00 0.00 H new ATOM 662 N VAL A 41 -0.476 -0.702 -0.604 1.00 0.00 N ATOM 663 CA VAL A 41 -0.193 -1.333 -1.888 1.00 0.00 C ATOM 664 C VAL A 41 -0.076 -0.294 -2.997 1.00 0.00 C ATOM 665 O VAL A 41 0.796 -0.388 -3.861 1.00 0.00 O ATOM 666 CB VAL A 41 -1.285 -2.351 -2.266 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.910 -3.087 -3.543 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.518 -3.330 -1.126 1.00 0.00 C ATOM 0 H VAL A 41 -1.234 -1.137 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 41 0.758 -1.855 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.214 -1.811 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.693 -3.802 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.798 -2.370 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.031 -3.617 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.293 -4.042 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.593 -3.866 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.835 -2.785 -0.237 1.00 0.00 H new ATOM 678 N ASP A 42 -0.960 0.697 -2.967 1.00 0.00 N ATOM 679 CA ASP A 42 -0.956 1.756 -3.969 1.00 0.00 C ATOM 680 C ASP A 42 -1.545 3.044 -3.402 1.00 0.00 C ATOM 681 O ASP A 42 -2.747 3.152 -3.162 1.00 0.00 O ATOM 682 CB ASP A 42 -1.744 1.321 -5.205 1.00 0.00 C ATOM 683 CG ASP A 42 -1.373 2.119 -6.440 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.216 2.582 -6.521 1.00 0.00 O ATOM 685 OD2 ASP A 42 -2.239 2.280 -7.325 1.00 0.00 O ATOM 0 H ASP A 42 -1.689 0.789 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 42 0.078 1.947 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.564 0.262 -5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.811 1.434 -5.010 1.00 0.00 H new ATOM 690 N PRO A 43 -0.679 4.044 -3.180 1.00 0.00 N ATOM 691 CA PRO A 43 -1.090 5.342 -2.638 1.00 0.00 C ATOM 692 C PRO A 43 -1.919 6.149 -3.631 1.00 0.00 C ATOM 693 O PRO A 43 -2.769 6.948 -3.240 1.00 0.00 O ATOM 694 CB PRO A 43 0.239 6.046 -2.354 1.00 0.00 C ATOM 695 CG PRO A 43 1.209 5.414 -3.292 1.00 0.00 C ATOM 696 CD PRO A 43 0.769 3.985 -3.443 1.00 0.00 C ATOM 0 HA PRO A 43 -1.726 5.233 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.163 7.120 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.545 5.911 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.211 5.925 -4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.224 5.470 -2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.981 3.603 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.279 3.331 -2.736 1.00 0.00 H new ATOM 704 N ASN A 44 -1.666 5.934 -4.918 1.00 0.00 N ATOM 705 CA ASN A 44 -2.389 6.643 -5.968 1.00 0.00 C ATOM 706 C ASN A 44 -3.851 6.207 -6.010 1.00 0.00 C ATOM 707 O ASN A 44 -4.743 7.015 -6.266 1.00 0.00 O ATOM 708 CB ASN A 44 -1.731 6.393 -7.327 1.00 0.00 C ATOM 709 CG ASN A 44 -2.160 7.406 -8.371 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.875 7.074 -9.317 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.723 8.649 -8.204 1.00 0.00 N ATOM 0 H ASN A 44 -0.966 5.275 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.352 7.709 -5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.647 6.427 -7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.984 5.390 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.978 9.374 -8.875 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.132 8.879 -7.405 1.00 0.00 H new ATOM 718 N GLY A 45 -4.088 4.924 -5.757 1.00 0.00 N ATOM 719 CA GLY A 45 -5.442 4.403 -5.771 1.00 0.00 C ATOM 720 C GLY A 45 -6.097 4.454 -4.405 1.00 0.00 C ATOM 721 O GLY A 45 -7.312 4.294 -4.284 1.00 0.00 O ATOM 0 H GLY A 45 -3.366 4.236 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.041 4.975 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.428 3.372 -6.125 1.00 0.00 H new ATOM 725 N LEU A 46 -5.291 4.677 -3.372 1.00 0.00 N ATOM 726 CA LEU A 46 -5.799 4.747 -2.006 1.00 0.00 C ATOM 727 C LEU A 46 -6.086 6.191 -1.606 1.00 0.00 C ATOM 728 O LEU A 46 -7.147 6.495 -1.062 1.00 0.00 O ATOM 729 CB LEU A 46 -4.794 4.127 -1.035 1.00 0.00 C ATOM 730 CG LEU A 46 -5.299 3.882 0.388 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.751 5.186 1.026 1.00 0.00 C ATOM 732 CD2 LEU A 46 -6.432 2.866 0.384 1.00 0.00 C ATOM 0 H LEU A 46 -4.283 4.812 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.732 4.185 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.458 3.176 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.921 4.778 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.478 3.478 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.107 4.992 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.913 5.882 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.557 5.620 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.779 2.704 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.255 3.241 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.074 1.924 -0.032 1.00 0.00 H new ATOM 744 N ALA A 47 -5.134 7.076 -1.881 1.00 0.00 N ATOM 745 CA ALA A 47 -5.286 8.488 -1.554 1.00 0.00 C ATOM 746 C ALA A 47 -6.653 9.008 -1.985 1.00 0.00 C ATOM 747 O ALA A 47 -7.276 9.803 -1.281 1.00 0.00 O ATOM 748 CB ALA A 47 -4.179 9.304 -2.206 1.00 0.00 C ATOM 0 H ALA A 47 -4.249 6.840 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.211 8.594 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.306 10.357 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.211 8.958 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.227 9.183 -3.288 1.00 0.00 H new ATOM 754 N ARG A 48 -7.114 8.554 -3.147 1.00 0.00 N ATOM 755 CA ARG A 48 -8.407 8.975 -3.673 1.00 0.00 C ATOM 756 C ARG A 48 -9.522 8.679 -2.675 1.00 0.00 C ATOM 757 O ARG A 48 -10.331 9.550 -2.354 1.00 0.00 O ATOM 758 CB ARG A 48 -8.695 8.272 -5.000 1.00 0.00 C ATOM 759 CG ARG A 48 -8.483 6.767 -4.950 1.00 0.00 C ATOM 760 CD ARG A 48 -8.637 6.137 -6.326 1.00 0.00 C ATOM 761 NE ARG A 48 -10.017 5.743 -6.596 1.00 0.00 N ATOM 762 CZ ARG A 48 -10.446 5.336 -7.785 1.00 0.00 C ATOM 763 NH1 ARG A 48 -9.606 5.270 -8.809 1.00 0.00 N ATOM 764 NH2 ARG A 48 -11.717 4.993 -7.952 1.00 0.00 N ATOM 0 H ARG A 48 -6.611 7.895 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.370 10.051 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.725 8.476 -5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.053 8.695 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.489 6.551 -4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.200 6.320 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.306 6.843 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.990 5.263 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.688 5.783 -5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.628 5.532 -8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.938 4.957 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.366 5.042 -7.167 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.045 4.681 -8.866 1.00 0.00 H new ATOM 778 N LEU A 49 -9.560 7.443 -2.188 1.00 0.00 N ATOM 779 CA LEU A 49 -10.577 7.030 -1.226 1.00 0.00 C ATOM 780 C LEU A 49 -10.553 7.925 0.009 1.00 0.00 C ATOM 781 O LEU A 49 -11.581 8.141 0.651 1.00 0.00 O ATOM 782 CB LEU A 49 -10.359 5.572 -0.819 1.00 0.00 C ATOM 783 CG LEU A 49 -10.542 4.532 -1.925 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.681 3.308 -1.653 1.00 0.00 C ATOM 785 CD2 LEU A 49 -12.006 4.139 -2.051 1.00 0.00 C ATOM 0 H LEU A 49 -8.899 6.710 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.553 7.125 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.350 5.474 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.047 5.335 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.223 4.973 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.824 2.578 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.632 3.602 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.969 2.865 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.117 3.398 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.352 3.716 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.600 5.020 -2.293 1.00 0.00 H new ATOM 797 N TRP A 50 -9.374 8.442 0.335 1.00 0.00 N ATOM 798 CA TRP A 50 -9.217 9.316 1.493 1.00 0.00 C ATOM 799 C TRP A 50 -9.682 10.732 1.173 1.00 0.00 C ATOM 800 O TRP A 50 -10.306 11.393 2.003 1.00 0.00 O ATOM 801 CB TRP A 50 -7.757 9.335 1.948 1.00 0.00 C ATOM 802 CG TRP A 50 -7.409 10.535 2.775 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.709 11.636 2.369 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.743 10.755 4.150 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.588 12.526 3.409 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.214 12.010 4.512 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.439 10.015 5.110 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.360 12.537 5.792 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.582 10.540 6.380 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.046 11.791 6.712 1.00 0.00 C ATOM 0 H TRP A 50 -8.513 8.272 -0.185 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.837 8.925 2.300 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.552 8.433 2.525 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.110 9.307 1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.310 11.785 1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.109 13.426 3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.857 9.050 4.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.947 13.501 6.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.116 9.976 7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.177 12.174 7.713 1.00 0.00 H new ATOM 821 N GLY A 51 -9.374 11.193 -0.035 1.00 0.00 N ATOM 822 CA GLY A 51 -9.768 12.529 -0.442 1.00 0.00 C ATOM 823 C GLY A 51 -11.243 12.621 -0.781 1.00 0.00 C ATOM 824 O GLY A 51 -11.857 13.676 -0.629 1.00 0.00 O ATOM 0 H GLY A 51 -8.859 10.665 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.538 13.232 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.180 12.830 -1.309 1.00 0.00 H new ATOM 828 N ASN A 52 -11.812 11.512 -1.243 1.00 0.00 N ATOM 829 CA ASN A 52 -13.224 11.472 -1.607 1.00 0.00 C ATOM 830 C ASN A 52 -14.093 12.009 -0.474 1.00 0.00 C ATOM 831 O ASN A 52 -14.704 13.071 -0.595 1.00 0.00 O ATOM 832 CB ASN A 52 -13.643 10.041 -1.951 1.00 0.00 C ATOM 833 CG ASN A 52 -15.149 9.876 -2.001 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.877 10.810 -2.338 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.625 8.683 -1.664 1.00 0.00 N ATOM 0 H ASN A 52 -11.317 10.630 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.366 12.106 -2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.218 9.763 -2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.230 9.356 -1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.631 8.513 -1.678 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.985 7.937 -1.391 1.00 0.00 H new ATOM 842 N HIS A 53 -14.143 11.268 0.629 1.00 0.00 N ATOM 843 CA HIS A 53 -14.936 11.670 1.785 1.00 0.00 C ATOM 844 C HIS A 53 -14.468 13.019 2.323 1.00 0.00 C ATOM 845 O HIS A 53 -15.279 13.862 2.706 1.00 0.00 O ATOM 846 CB HIS A 53 -14.847 10.611 2.884 1.00 0.00 C ATOM 847 CG HIS A 53 -13.718 10.835 3.842 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.664 9.958 3.981 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.482 11.846 4.711 1.00 0.00 C ATOM 850 CE1 HIS A 53 -11.828 10.418 4.895 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.301 11.563 5.353 1.00 0.00 N ATOM 0 H HIS A 53 -13.644 10.386 0.746 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.974 11.766 1.467 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.785 10.595 3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.732 9.630 2.423 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.547 9.089 3.460 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.106 12.713 4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.914 9.939 5.213 1.00 0.00 H new ATOM 860 N LYS A 54 -13.154 13.216 2.349 1.00 0.00 N ATOM 861 CA LYS A 54 -12.576 14.462 2.839 1.00 0.00 C ATOM 862 C LYS A 54 -13.035 15.644 1.991 1.00 0.00 C ATOM 863 O LYS A 54 -12.786 16.799 2.335 1.00 0.00 O ATOM 864 CB LYS A 54 -11.048 14.377 2.830 1.00 0.00 C ATOM 865 CG LYS A 54 -10.391 15.152 3.959 1.00 0.00 C ATOM 866 CD LYS A 54 -10.898 14.698 5.317 1.00 0.00 C ATOM 867 CE LYS A 54 -9.829 14.846 6.390 1.00 0.00 C ATOM 868 NZ LYS A 54 -9.865 16.193 7.025 1.00 0.00 N ATOM 0 H LYS A 54 -12.469 12.528 2.036 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.919 14.616 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.750 13.331 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.677 14.754 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.310 15.020 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.588 16.217 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.775 15.283 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.215 13.657 5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.971 14.081 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.846 14.678 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.217 16.211 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.571 16.911 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.832 16.399 7.348 1.00 0.00 H new ATOM 882 N ASN A 55 -13.708 15.348 0.884 1.00 0.00 N ATOM 883 CA ASN A 55 -14.202 16.387 -0.012 1.00 0.00 C ATOM 884 C ASN A 55 -13.046 17.134 -0.669 1.00 0.00 C ATOM 885 O ASN A 55 -13.008 18.365 -0.670 1.00 0.00 O ATOM 886 CB ASN A 55 -15.089 17.371 0.755 1.00 0.00 C ATOM 887 CG ASN A 55 -15.762 18.376 -0.159 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.635 18.024 -0.952 1.00 0.00 O ATOM 889 ND2 ASN A 55 -15.356 19.636 -0.052 1.00 0.00 N ATOM 0 H ASN A 55 -13.924 14.397 0.586 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.792 15.908 -0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.850 16.817 1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -14.486 17.901 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -15.771 20.357 -0.641 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.629 19.882 0.620 1.00 0.00 H new ATOM 896 N ARG A 56 -12.104 16.381 -1.229 1.00 0.00 N ATOM 897 CA ARG A 56 -10.946 16.971 -1.889 1.00 0.00 C ATOM 898 C ARG A 56 -10.687 16.300 -3.235 1.00 0.00 C ATOM 899 O ARG A 56 -9.994 15.284 -3.312 1.00 0.00 O ATOM 900 CB ARG A 56 -9.708 16.849 -0.999 1.00 0.00 C ATOM 901 CG ARG A 56 -8.516 17.647 -1.502 1.00 0.00 C ATOM 902 CD ARG A 56 -8.620 19.113 -1.108 1.00 0.00 C ATOM 903 NE ARG A 56 -8.578 19.295 0.340 1.00 0.00 N ATOM 904 CZ ARG A 56 -8.248 20.440 0.927 1.00 0.00 C ATOM 905 NH1 ARG A 56 -7.934 21.498 0.194 1.00 0.00 N ATOM 906 NH2 ARG A 56 -8.232 20.527 2.251 1.00 0.00 N ATOM 0 H ARG A 56 -12.121 15.361 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.157 18.026 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.960 17.183 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.426 15.799 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.597 17.225 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.453 17.564 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.804 19.670 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.549 19.528 -1.499 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.815 18.500 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.945 21.435 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.681 22.376 0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.473 19.714 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.979 21.406 2.701 1.00 0.00 H new ATOM 920 N THR A 57 -11.248 16.873 -4.294 1.00 0.00 N ATOM 921 CA THR A 57 -11.080 16.330 -5.636 1.00 0.00 C ATOM 922 C THR A 57 -9.609 16.293 -6.034 1.00 0.00 C ATOM 923 O THR A 57 -9.242 15.678 -7.034 1.00 0.00 O ATOM 924 CB THR A 57 -11.861 17.154 -6.678 1.00 0.00 C ATOM 925 OG1 THR A 57 -11.673 16.597 -7.984 1.00 0.00 O ATOM 926 CG2 THR A 57 -11.408 18.606 -6.670 1.00 0.00 C ATOM 0 H THR A 57 -11.823 17.714 -4.249 1.00 0.00 H new ATOM 0 HA THR A 57 -11.475 15.314 -5.617 1.00 0.00 H new ATOM 0 HB THR A 57 -12.919 17.119 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.838 16.085 -8.004 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.973 19.168 -7.414 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.580 19.035 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.345 18.657 -6.908 1.00 0.00 H new ATOM 934 N ASN A 58 -8.770 16.956 -5.244 1.00 0.00 N ATOM 935 CA ASN A 58 -7.338 16.999 -5.514 1.00 0.00 C ATOM 936 C ASN A 58 -6.542 16.518 -4.305 1.00 0.00 C ATOM 937 O ASN A 58 -5.731 17.258 -3.749 1.00 0.00 O ATOM 938 CB ASN A 58 -6.910 18.419 -5.888 1.00 0.00 C ATOM 939 CG ASN A 58 -7.091 18.707 -7.366 1.00 0.00 C ATOM 940 OD1 ASN A 58 -7.931 19.519 -7.754 1.00 0.00 O ATOM 941 ND2 ASN A 58 -6.300 18.041 -8.200 1.00 0.00 N ATOM 0 H ASN A 58 -9.058 17.471 -4.412 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.132 16.333 -6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.491 19.135 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.864 18.563 -5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.375 18.194 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.617 17.377 -7.835 1.00 0.00 H new ATOM 948 N MET A 59 -6.779 15.273 -3.904 1.00 0.00 N ATOM 949 CA MET A 59 -6.083 14.692 -2.762 1.00 0.00 C ATOM 950 C MET A 59 -4.874 13.881 -3.217 1.00 0.00 C ATOM 951 O MET A 59 -5.017 12.853 -3.881 1.00 0.00 O ATOM 952 CB MET A 59 -7.033 13.805 -1.955 1.00 0.00 C ATOM 953 CG MET A 59 -6.330 12.957 -0.907 1.00 0.00 C ATOM 954 SD MET A 59 -5.397 13.947 0.276 1.00 0.00 S ATOM 955 CE MET A 59 -6.726 14.699 1.211 1.00 0.00 C ATOM 0 H MET A 59 -7.448 14.647 -4.353 1.00 0.00 H new ATOM 0 HA MET A 59 -5.734 15.507 -2.129 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.775 14.434 -1.463 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.573 13.150 -2.638 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.069 12.360 -0.372 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.655 12.259 -1.403 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.372 14.946 2.212 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.056 15.608 0.708 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.560 14.001 1.283 1.00 0.00 H new ATOM 965 N THR A 60 -3.683 14.348 -2.857 1.00 0.00 N ATOM 966 CA THR A 60 -2.450 13.666 -3.229 1.00 0.00 C ATOM 967 C THR A 60 -1.787 13.025 -2.015 1.00 0.00 C ATOM 968 O THR A 60 -1.779 13.597 -0.925 1.00 0.00 O ATOM 969 CB THR A 60 -1.452 14.633 -3.893 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.258 13.931 -4.258 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.105 15.780 -2.956 1.00 0.00 C ATOM 0 H THR A 60 -3.546 15.197 -2.308 1.00 0.00 H new ATOM 0 HA THR A 60 -2.723 12.889 -3.943 1.00 0.00 H new ATOM 0 HB THR A 60 -1.919 15.044 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.371 14.553 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.399 16.450 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.011 16.330 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.656 15.383 -2.046 1.00 0.00 H new ATOM 979 N TYR A 61 -1.232 11.834 -2.210 1.00 0.00 N ATOM 980 CA TYR A 61 -0.568 11.114 -1.130 1.00 0.00 C ATOM 981 C TYR A 61 0.392 12.028 -0.376 1.00 0.00 C ATOM 982 O TYR A 61 0.491 11.966 0.849 1.00 0.00 O ATOM 983 CB TYR A 61 0.189 9.906 -1.684 1.00 0.00 C ATOM 984 CG TYR A 61 0.888 9.090 -0.621 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.166 8.283 0.251 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.270 9.126 -0.486 1.00 0.00 C ATOM 987 CE1 TYR A 61 0.801 7.537 1.225 1.00 0.00 C ATOM 988 CE2 TYR A 61 2.913 8.381 0.483 1.00 0.00 C ATOM 989 CZ TYR A 61 2.174 7.588 1.337 1.00 0.00 C ATOM 990 OH TYR A 61 2.811 6.846 2.305 1.00 0.00 O ATOM 0 H TYR A 61 -1.229 11.347 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.332 10.767 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.510 9.265 -2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.926 10.251 -2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.910 8.239 0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.852 9.747 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.225 6.917 1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.989 8.419 0.572 1.00 0.00 H new ATOM 0 HH TYR A 61 3.778 6.994 2.247 1.00 0.00 H new ATOM 1000 N GLU A 62 1.098 12.876 -1.118 1.00 0.00 N ATOM 1001 CA GLU A 62 2.051 13.803 -0.520 1.00 0.00 C ATOM 1002 C GLU A 62 1.416 14.563 0.641 1.00 0.00 C ATOM 1003 O GLU A 62 2.073 14.857 1.640 1.00 0.00 O ATOM 1004 CB GLU A 62 2.564 14.790 -1.570 1.00 0.00 C ATOM 1005 CG GLU A 62 3.672 15.698 -1.063 1.00 0.00 C ATOM 1006 CD GLU A 62 5.006 14.985 -0.953 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.176 14.186 -0.008 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.879 15.227 -1.812 1.00 0.00 O ATOM 0 H GLU A 62 1.028 12.940 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 62 2.890 13.223 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.929 14.232 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.732 15.404 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.774 16.550 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.394 16.094 -0.086 1.00 0.00 H new ATOM 1015 N LYS A 63 0.133 14.880 0.501 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.594 15.605 1.536 1.00 0.00 C ATOM 1017 C LYS A 63 -1.265 14.639 2.508 1.00 0.00 C ATOM 1018 O LYS A 63 -1.780 15.049 3.548 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.644 16.521 0.904 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.056 17.574 -0.020 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.142 18.406 -0.680 1.00 0.00 C ATOM 1022 CE LYS A 63 -2.757 19.396 0.298 1.00 0.00 C ATOM 1023 NZ LYS A 63 -3.480 20.492 -0.404 1.00 0.00 N ATOM 0 H LYS A 63 -0.425 14.646 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 63 0.122 16.212 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.354 15.913 0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.205 17.017 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.391 18.226 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.451 17.090 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.723 18.945 -1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.919 17.749 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.446 18.872 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.974 19.821 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.885 21.145 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.817 21.008 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.244 20.089 -0.983 1.00 0.00 H new ATOM 1037 N MET A 64 -1.254 13.356 2.162 1.00 0.00 N ATOM 1038 CA MET A 64 -1.860 12.333 3.006 1.00 0.00 C ATOM 1039 C MET A 64 -0.856 11.806 4.027 1.00 0.00 C ATOM 1040 O MET A 64 -1.044 11.962 5.234 1.00 0.00 O ATOM 1041 CB MET A 64 -2.385 11.180 2.149 1.00 0.00 C ATOM 1042 CG MET A 64 -3.273 10.210 2.912 1.00 0.00 C ATOM 1043 SD MET A 64 -4.093 9.022 1.832 1.00 0.00 S ATOM 1044 CE MET A 64 -3.313 7.496 2.354 1.00 0.00 C ATOM 0 H MET A 64 -0.833 13.000 1.304 1.00 0.00 H new ATOM 0 HA MET A 64 -2.693 12.787 3.542 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.946 11.589 1.309 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.539 10.634 1.732 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.672 9.673 3.646 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.026 10.771 3.466 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.016 6.921 1.477 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.432 7.724 2.953 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.016 6.913 2.949 1.00 0.00 H new ATOM 1054 N SER A 65 0.209 11.182 3.536 1.00 0.00 N ATOM 1055 CA SER A 65 1.240 10.629 4.406 1.00 0.00 C ATOM 1056 C SER A 65 1.668 11.648 5.457 1.00 0.00 C ATOM 1057 O SER A 65 2.242 11.291 6.486 1.00 0.00 O ATOM 1058 CB SER A 65 2.452 10.190 3.582 1.00 0.00 C ATOM 1059 OG SER A 65 2.961 11.265 2.812 1.00 0.00 O ATOM 0 H SER A 65 0.381 11.046 2.540 1.00 0.00 H new ATOM 0 HA SER A 65 0.822 9.761 4.916 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.230 9.814 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.170 9.368 2.924 1.00 0.00 H new ATOM 0 HG SER A 65 2.305 11.518 2.129 1.00 0.00 H new ATOM 1065 N ARG A 66 1.385 12.919 5.190 1.00 0.00 N ATOM 1066 CA ARG A 66 1.741 13.991 6.111 1.00 0.00 C ATOM 1067 C ARG A 66 1.302 13.655 7.533 1.00 0.00 C ATOM 1068 O ARG A 66 2.071 13.804 8.482 1.00 0.00 O ATOM 1069 CB ARG A 66 1.102 15.308 5.666 1.00 0.00 C ATOM 1070 CG ARG A 66 1.977 16.124 4.729 1.00 0.00 C ATOM 1071 CD ARG A 66 2.871 17.085 5.497 1.00 0.00 C ATOM 1072 NE ARG A 66 3.801 17.789 4.618 1.00 0.00 N ATOM 1073 CZ ARG A 66 4.689 18.678 5.049 1.00 0.00 C ATOM 1074 NH1 ARG A 66 4.767 18.970 6.340 1.00 0.00 N ATOM 1075 NH2 ARG A 66 5.501 19.277 4.187 1.00 0.00 N ATOM 0 H ARG A 66 0.910 13.231 4.343 1.00 0.00 H new ATOM 0 HA ARG A 66 2.826 14.099 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.155 15.093 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.872 15.906 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.592 15.454 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.348 16.684 4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.253 17.810 6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.432 16.534 6.251 1.00 0.00 H new ATOM 0 HE ARG A 66 3.767 17.587 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.144 18.512 7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.450 19.653 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.443 19.055 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.183 19.960 4.518 1.00 0.00 H new ATOM 1089 N ALA A 67 0.060 13.202 7.671 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.481 12.843 8.977 1.00 0.00 C ATOM 1091 C ALA A 67 0.346 11.740 9.629 1.00 0.00 C ATOM 1092 O ALA A 67 1.012 11.966 10.640 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.933 12.409 8.845 1.00 0.00 C ATOM 0 H ALA A 67 -0.590 13.075 6.895 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.433 13.724 9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.324 12.144 9.827 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.521 13.227 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.996 11.545 8.184 1.00 0.00 H new ATOM 1099 N LEU A 68 0.297 10.548 9.047 1.00 0.00 N ATOM 1100 CA LEU A 68 1.042 9.409 9.573 1.00 0.00 C ATOM 1101 C LEU A 68 2.365 9.858 10.184 1.00 0.00 C ATOM 1102 O LEU A 68 2.836 9.280 11.164 1.00 0.00 O ATOM 1103 CB LEU A 68 1.300 8.387 8.464 1.00 0.00 C ATOM 1104 CG LEU A 68 0.088 7.576 8.002 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.811 7.242 9.183 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.688 8.337 6.937 1.00 0.00 C ATOM 0 H LEU A 68 -0.250 10.344 8.211 1.00 0.00 H new ATOM 0 HA LEU A 68 0.442 8.944 10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.710 8.912 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.066 7.693 8.809 1.00 0.00 H new ATOM 0 HG LEU A 68 0.443 6.642 7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.668 6.665 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.251 6.657 9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.159 8.165 9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.547 7.745 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.033 9.286 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.041 8.525 6.080 1.00 0.00 H new ATOM 1118 N ARG A 69 2.959 10.894 9.600 1.00 0.00 N ATOM 1119 CA ARG A 69 4.228 11.421 10.087 1.00 0.00 C ATOM 1120 C ARG A 69 4.064 12.036 11.474 1.00 0.00 C ATOM 1121 O ARG A 69 4.828 11.737 12.392 1.00 0.00 O ATOM 1122 CB ARG A 69 4.776 12.468 9.116 1.00 0.00 C ATOM 1123 CG ARG A 69 6.263 12.736 9.285 1.00 0.00 C ATOM 1124 CD ARG A 69 7.099 11.799 8.428 1.00 0.00 C ATOM 1125 NE ARG A 69 8.523 12.116 8.500 1.00 0.00 N ATOM 1126 CZ ARG A 69 9.419 11.678 7.623 1.00 0.00 C ATOM 1127 NH1 ARG A 69 9.040 10.908 6.612 1.00 0.00 N ATOM 1128 NH2 ARG A 69 10.697 12.009 7.756 1.00 0.00 N ATOM 0 H ARG A 69 2.582 11.385 8.789 1.00 0.00 H new ATOM 0 HA ARG A 69 4.934 10.594 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.589 12.137 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.229 13.401 9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.481 13.769 9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.539 12.616 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.940 10.771 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.766 11.861 7.392 1.00 0.00 H new ATOM 0 HE ARG A 69 8.847 12.706 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.059 10.651 6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.730 10.573 5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.992 12.601 8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.384 11.672 7.082 1.00 0.00 H new ATOM 1142 N HIS A 70 3.062 12.898 11.619 1.00 0.00 N ATOM 1143 CA HIS A 70 2.797 13.555 12.894 1.00 0.00 C ATOM 1144 C HIS A 70 2.690 12.531 14.021 1.00 0.00 C ATOM 1145 O HIS A 70 3.132 12.780 15.143 1.00 0.00 O ATOM 1146 CB HIS A 70 1.510 14.376 12.811 1.00 0.00 C ATOM 1147 CG HIS A 70 1.718 15.764 12.289 1.00 0.00 C ATOM 1148 ND1 HIS A 70 1.678 16.884 13.092 1.00 0.00 N ATOM 1149 CD2 HIS A 70 1.971 16.210 11.036 1.00 0.00 C ATOM 1150 CE1 HIS A 70 1.895 17.959 12.356 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.076 17.578 11.105 1.00 0.00 N ATOM 0 H HIS A 70 2.421 13.158 10.870 1.00 0.00 H new ATOM 0 HA HIS A 70 3.631 14.222 13.111 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.799 13.858 12.168 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.061 14.433 13.802 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.507 16.883 14.098 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.072 15.604 10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.920 18.977 12.716 1.00 0.00 H new ATOM 1160 N TYR A 71 2.099 11.382 13.715 1.00 0.00 N ATOM 1161 CA TYR A 71 1.931 10.322 14.702 1.00 0.00 C ATOM 1162 C TYR A 71 3.274 9.696 15.063 1.00 0.00 C ATOM 1163 O TYR A 71 3.517 9.341 16.217 1.00 0.00 O ATOM 1164 CB TYR A 71 0.981 9.248 14.171 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.379 9.781 13.781 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -0.611 10.283 12.506 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.433 9.783 14.687 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -1.851 10.772 12.145 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.677 10.268 14.334 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.881 10.762 13.063 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.119 11.247 12.707 1.00 0.00 O ATOM 0 H TYR A 71 1.728 11.160 12.791 1.00 0.00 H new ATOM 0 HA TYR A 71 1.503 10.763 15.602 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.436 8.769 13.304 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.855 8.478 14.932 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.193 10.291 11.785 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.277 9.399 15.684 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.014 11.160 11.150 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.486 10.260 15.050 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.815 10.750 13.186 1.00 0.00 H new ATOM 1181 N TYR A 72 4.144 9.563 14.068 1.00 0.00 N ATOM 1182 CA TYR A 72 5.463 8.978 14.279 1.00 0.00 C ATOM 1183 C TYR A 72 6.110 9.534 15.543 1.00 0.00 C ATOM 1184 O TYR A 72 6.560 8.782 16.408 1.00 0.00 O ATOM 1185 CB TYR A 72 6.362 9.247 13.071 1.00 0.00 C ATOM 1186 CG TYR A 72 5.868 8.607 11.793 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.772 7.753 11.800 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.496 8.857 10.579 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.317 7.165 10.635 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.047 8.275 9.410 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.957 7.430 9.443 1.00 0.00 C ATOM 1192 OH TYR A 72 4.507 6.848 8.280 1.00 0.00 O ATOM 0 H TYR A 72 3.960 9.852 13.107 1.00 0.00 H new ATOM 0 HA TYR A 72 5.340 7.902 14.400 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.442 10.324 12.921 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.365 8.880 13.287 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.267 7.545 12.732 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.350 9.518 10.549 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.465 6.502 10.658 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.547 8.480 8.475 1.00 0.00 H new ATOM 0 HH TYR A 72 4.162 5.952 8.475 1.00 0.00 H new ATOM 1202 N LYS A 73 6.154 10.859 15.644 1.00 0.00 N ATOM 1203 CA LYS A 73 6.743 11.519 16.802 1.00 0.00 C ATOM 1204 C LYS A 73 5.980 11.170 18.075 1.00 0.00 C ATOM 1205 O LYS A 73 6.555 11.124 19.164 1.00 0.00 O ATOM 1206 CB LYS A 73 6.752 13.036 16.600 1.00 0.00 C ATOM 1207 CG LYS A 73 7.815 13.514 15.625 1.00 0.00 C ATOM 1208 CD LYS A 73 7.287 13.553 14.201 1.00 0.00 C ATOM 1209 CE LYS A 73 8.369 13.971 13.217 1.00 0.00 C ATOM 1210 NZ LYS A 73 9.137 12.802 12.707 1.00 0.00 N ATOM 0 H LYS A 73 5.788 11.496 14.937 1.00 0.00 H new ATOM 0 HA LYS A 73 7.769 11.166 16.907 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.773 13.352 16.240 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.910 13.521 17.563 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.156 14.508 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.680 12.853 15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.904 12.570 13.927 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.450 14.249 14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.914 14.500 12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.051 14.670 13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.864 13.129 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.593 12.312 13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.491 12.147 12.222 1.00 0.00 H new ATOM 1224 N LEU A 74 4.682 10.923 17.932 1.00 0.00 N ATOM 1225 CA LEU A 74 3.840 10.576 19.072 1.00 0.00 C ATOM 1226 C LEU A 74 4.100 9.143 19.525 1.00 0.00 C ATOM 1227 O LEU A 74 3.427 8.633 20.419 1.00 0.00 O ATOM 1228 CB LEU A 74 2.363 10.749 18.710 1.00 0.00 C ATOM 1229 CG LEU A 74 1.802 12.165 18.838 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.605 12.350 17.918 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.419 12.459 20.281 1.00 0.00 C ATOM 0 H LEU A 74 4.190 10.957 17.039 1.00 0.00 H new ATOM 0 HA LEU A 74 4.088 11.247 19.894 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.220 10.415 17.682 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.774 10.088 19.345 1.00 0.00 H new ATOM 0 HG LEU A 74 2.577 12.871 18.538 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.219 13.364 18.023 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.911 12.183 16.885 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.174 11.636 18.186 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.022 13.471 20.353 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.661 11.748 20.608 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.300 12.369 20.917 1.00 0.00 H new ATOM 1243 N ASN A 75 5.082 8.500 18.902 1.00 0.00 N ATOM 1244 CA ASN A 75 5.433 7.126 19.242 1.00 0.00 C ATOM 1245 C ASN A 75 4.244 6.193 19.032 1.00 0.00 C ATOM 1246 O ASN A 75 3.998 5.293 19.836 1.00 0.00 O ATOM 1247 CB ASN A 75 5.909 7.044 20.694 1.00 0.00 C ATOM 1248 CG ASN A 75 7.397 7.305 20.829 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.813 8.359 21.310 1.00 0.00 O ATOM 1250 ND2 ASN A 75 8.207 6.342 20.404 1.00 0.00 N ATOM 0 H ASN A 75 5.649 8.908 18.159 1.00 0.00 H new ATOM 0 HA ASN A 75 6.241 6.810 18.583 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.360 7.768 21.295 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.678 6.057 21.094 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.218 6.460 20.470 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.818 5.484 20.012 1.00 0.00 H new ATOM 1257 N ILE A 76 3.510 6.414 17.947 1.00 0.00 N ATOM 1258 CA ILE A 76 2.348 5.593 17.630 1.00 0.00 C ATOM 1259 C ILE A 76 2.632 4.672 16.448 1.00 0.00 C ATOM 1260 O ILE A 76 2.273 3.494 16.466 1.00 0.00 O ATOM 1261 CB ILE A 76 1.117 6.459 17.308 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.806 7.398 18.476 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.084 5.579 16.996 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.247 8.434 18.155 1.00 0.00 C ATOM 0 H ILE A 76 3.699 7.155 17.272 1.00 0.00 H new ATOM 0 HA ILE A 76 2.136 4.991 18.514 1.00 0.00 H new ATOM 0 HB ILE A 76 1.338 7.064 16.429 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.473 6.806 19.329 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.723 7.905 18.778 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.946 6.207 16.770 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.141 4.948 16.136 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.308 4.951 17.858 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.416 9.064 19.028 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.091 9.051 17.323 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.177 7.935 17.882 1.00 0.00 H new ATOM 1276 N ILE A 77 3.278 5.217 15.423 1.00 0.00 N ATOM 1277 CA ILE A 77 3.612 4.444 14.233 1.00 0.00 C ATOM 1278 C ILE A 77 5.099 4.545 13.911 1.00 0.00 C ATOM 1279 O ILE A 77 5.724 5.582 14.134 1.00 0.00 O ATOM 1280 CB ILE A 77 2.801 4.913 13.011 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.306 4.920 13.335 1.00 0.00 C ATOM 1282 CG2 ILE A 77 3.084 4.019 11.813 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.495 5.821 12.431 1.00 0.00 C ATOM 0 H ILE A 77 3.581 6.191 15.392 1.00 0.00 H new ATOM 0 HA ILE A 77 3.359 3.406 14.450 1.00 0.00 H new ATOM 0 HB ILE A 77 3.104 5.930 12.761 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.922 3.903 13.260 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.168 5.237 14.369 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.503 4.363 10.957 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.146 4.060 11.571 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.805 2.992 12.051 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.555 5.776 12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.853 6.846 12.524 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.602 5.491 11.398 1.00 0.00 H new ATOM 1295 N ARG A 78 5.660 3.461 13.385 1.00 0.00 N ATOM 1296 CA ARG A 78 7.074 3.428 13.032 1.00 0.00 C ATOM 1297 C ARG A 78 7.262 3.004 11.578 1.00 0.00 C ATOM 1298 O ARG A 78 6.998 1.857 11.215 1.00 0.00 O ATOM 1299 CB ARG A 78 7.830 2.470 13.955 1.00 0.00 C ATOM 1300 CG ARG A 78 9.245 2.165 13.490 1.00 0.00 C ATOM 1301 CD ARG A 78 10.212 3.269 13.888 1.00 0.00 C ATOM 1302 NE ARG A 78 10.089 4.442 13.026 1.00 0.00 N ATOM 1303 CZ ARG A 78 10.989 5.417 12.980 1.00 0.00 C ATOM 1304 NH1 ARG A 78 12.073 5.361 13.742 1.00 0.00 N ATOM 1305 NH2 ARG A 78 10.807 6.452 12.170 1.00 0.00 N ATOM 0 H ARG A 78 5.157 2.594 13.194 1.00 0.00 H new ATOM 0 HA ARG A 78 7.476 4.434 13.154 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.870 2.900 14.956 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.272 1.536 14.031 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.574 1.219 13.920 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.255 2.044 12.407 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.026 3.558 14.922 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.233 2.891 13.842 1.00 0.00 H new ATOM 0 HE ARG A 78 9.267 4.516 12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.217 4.567 14.366 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.762 6.112 13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.975 6.499 11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.499 7.200 12.136 1.00 0.00 H new ATOM 1319 N LYS A 79 7.718 3.937 10.749 1.00 0.00 N ATOM 1320 CA LYS A 79 7.942 3.661 9.335 1.00 0.00 C ATOM 1321 C LYS A 79 9.145 2.744 9.143 1.00 0.00 C ATOM 1322 O LYS A 79 10.289 3.164 9.311 1.00 0.00 O ATOM 1323 CB LYS A 79 8.156 4.968 8.567 1.00 0.00 C ATOM 1324 CG LYS A 79 7.788 4.877 7.096 1.00 0.00 C ATOM 1325 CD LYS A 79 8.119 6.163 6.358 1.00 0.00 C ATOM 1326 CE LYS A 79 8.298 5.919 4.867 1.00 0.00 C ATOM 1327 NZ LYS A 79 9.596 5.255 4.566 1.00 0.00 N ATOM 0 H LYS A 79 7.940 4.891 11.032 1.00 0.00 H new ATOM 0 HA LYS A 79 7.058 3.157 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.563 5.755 9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.202 5.263 8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.322 4.045 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.723 4.664 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.322 6.890 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.031 6.595 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.480 5.300 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.244 6.868 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.774 5.289 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.363 5.748 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.560 4.264 4.879 1.00 0.00 H new ATOM 1341 N GLU A 80 8.878 1.491 8.789 1.00 0.00 N ATOM 1342 CA GLU A 80 9.940 0.515 8.574 1.00 0.00 C ATOM 1343 C GLU A 80 10.979 1.050 7.592 1.00 0.00 C ATOM 1344 O GLU A 80 10.652 1.665 6.577 1.00 0.00 O ATOM 1345 CB GLU A 80 9.357 -0.799 8.051 1.00 0.00 C ATOM 1346 CG GLU A 80 8.957 -1.768 9.151 1.00 0.00 C ATOM 1347 CD GLU A 80 10.152 -2.324 9.902 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.995 -2.989 9.264 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.244 -2.094 11.126 1.00 0.00 O ATOM 0 H GLU A 80 7.936 1.128 8.645 1.00 0.00 H new ATOM 0 HA GLU A 80 10.429 0.331 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.484 -0.580 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.090 -1.280 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.295 -1.261 9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.391 -2.592 8.716 1.00 0.00 H new ATOM 1356 N PRO A 81 12.262 0.810 7.900 1.00 0.00 N ATOM 1357 CA PRO A 81 13.375 1.258 7.059 1.00 0.00 C ATOM 1358 C PRO A 81 13.448 0.497 5.740 1.00 0.00 C ATOM 1359 O PRO A 81 12.895 -0.595 5.610 1.00 0.00 O ATOM 1360 CB PRO A 81 14.609 0.963 7.915 1.00 0.00 C ATOM 1361 CG PRO A 81 14.186 -0.143 8.820 1.00 0.00 C ATOM 1362 CD PRO A 81 12.724 0.082 9.094 1.00 0.00 C ATOM 0 HA PRO A 81 13.276 2.306 6.777 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.457 0.667 7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.918 1.842 8.481 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.351 -1.114 8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.763 -0.132 9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.190 -0.859 9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.570 0.663 10.003 1.00 0.00 H new ATOM 1370 N GLY A 82 14.134 1.080 4.762 1.00 0.00 N ATOM 1371 CA GLY A 82 14.267 0.442 3.465 1.00 0.00 C ATOM 1372 C GLY A 82 13.061 0.676 2.578 1.00 0.00 C ATOM 1373 O GLY A 82 13.142 1.407 1.591 1.00 0.00 O ATOM 0 H GLY A 82 14.600 1.983 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.159 0.821 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.410 -0.630 3.604 1.00 0.00 H new ATOM 1377 N GLN A 83 11.940 0.052 2.928 1.00 0.00 N ATOM 1378 CA GLN A 83 10.713 0.195 2.153 1.00 0.00 C ATOM 1379 C GLN A 83 10.366 1.666 1.949 1.00 0.00 C ATOM 1380 O GLN A 83 11.042 2.552 2.474 1.00 0.00 O ATOM 1381 CB GLN A 83 9.557 -0.521 2.853 1.00 0.00 C ATOM 1382 CG GLN A 83 9.785 -2.014 3.031 1.00 0.00 C ATOM 1383 CD GLN A 83 9.682 -2.780 1.727 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.252 -2.379 0.712 1.00 0.00 O ATOM 1385 NE2 GLN A 83 8.954 -3.889 1.748 1.00 0.00 N ATOM 0 H GLN A 83 11.857 -0.557 3.742 1.00 0.00 H new ATOM 0 HA GLN A 83 10.875 -0.260 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.398 -0.067 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.644 -0.367 2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.770 -2.178 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.054 -2.407 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.499 -4.184 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.849 -4.447 0.900 1.00 0.00 H new ATOM 1394 N ARG A 84 9.310 1.920 1.184 1.00 0.00 N ATOM 1395 CA ARG A 84 8.874 3.284 0.910 1.00 0.00 C ATOM 1396 C ARG A 84 7.585 3.604 1.661 1.00 0.00 C ATOM 1397 O ARG A 84 7.530 4.552 2.446 1.00 0.00 O ATOM 1398 CB ARG A 84 8.665 3.482 -0.592 1.00 0.00 C ATOM 1399 CG ARG A 84 9.961 3.611 -1.376 1.00 0.00 C ATOM 1400 CD ARG A 84 9.701 3.995 -2.824 1.00 0.00 C ATOM 1401 NE ARG A 84 10.805 4.763 -3.393 1.00 0.00 N ATOM 1402 CZ ARG A 84 11.000 6.056 -3.158 1.00 0.00 C ATOM 1403 NH1 ARG A 84 10.169 6.722 -2.368 1.00 0.00 N ATOM 1404 NH2 ARG A 84 12.028 6.685 -3.713 1.00 0.00 N ATOM 0 H ARG A 84 8.740 1.199 0.742 1.00 0.00 H new ATOM 0 HA ARG A 84 9.653 3.964 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.095 2.640 -0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.063 4.377 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.597 4.362 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.504 2.667 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.544 3.093 -3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.783 4.580 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 84 11.463 4.280 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.378 6.242 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.321 7.715 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.670 6.176 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.177 7.678 -3.532 1.00 0.00 H new ATOM 1418 N LEU A 85 6.550 2.809 1.414 1.00 0.00 N ATOM 1419 CA LEU A 85 5.260 3.008 2.066 1.00 0.00 C ATOM 1420 C LEU A 85 4.984 1.899 3.076 1.00 0.00 C ATOM 1421 O LEU A 85 3.990 1.180 2.969 1.00 0.00 O ATOM 1422 CB LEU A 85 4.141 3.054 1.023 1.00 0.00 C ATOM 1423 CG LEU A 85 3.903 4.408 0.353 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.162 4.881 -0.357 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.738 4.322 -0.622 1.00 0.00 C ATOM 0 H LEU A 85 6.579 2.021 0.767 1.00 0.00 H new ATOM 0 HA LEU A 85 5.292 3.959 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.364 2.322 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.213 2.739 1.501 1.00 0.00 H new ATOM 0 HG LEU A 85 3.652 5.135 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.974 5.846 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.971 4.982 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.445 4.155 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.582 5.294 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.960 3.581 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.836 4.029 -0.086 1.00 0.00 H new ATOM 1437 N LEU A 86 5.868 1.768 4.059 1.00 0.00 N ATOM 1438 CA LEU A 86 5.719 0.748 5.091 1.00 0.00 C ATOM 1439 C LEU A 86 5.576 1.386 6.469 1.00 0.00 C ATOM 1440 O LEU A 86 6.417 2.182 6.887 1.00 0.00 O ATOM 1441 CB LEU A 86 6.920 -0.199 5.077 1.00 0.00 C ATOM 1442 CG LEU A 86 6.647 -1.636 5.523 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.761 -1.651 6.760 1.00 0.00 C ATOM 1444 CD2 LEU A 86 6.006 -2.432 4.396 1.00 0.00 C ATOM 0 H LEU A 86 6.695 2.355 4.163 1.00 0.00 H new ATOM 0 HA LEU A 86 4.814 0.179 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.325 -0.225 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.694 0.219 5.720 1.00 0.00 H new ATOM 0 HG LEU A 86 7.598 -2.105 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.577 -2.682 7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.258 -1.118 7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.812 -1.165 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.819 -3.452 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.063 -1.965 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.676 -2.450 3.536 1.00 0.00 H new ATOM 1456 N PHE A 87 4.505 1.029 7.172 1.00 0.00 N ATOM 1457 CA PHE A 87 4.252 1.565 8.504 1.00 0.00 C ATOM 1458 C PHE A 87 4.060 0.439 9.516 1.00 0.00 C ATOM 1459 O PHE A 87 3.630 -0.659 9.164 1.00 0.00 O ATOM 1460 CB PHE A 87 3.017 2.468 8.488 1.00 0.00 C ATOM 1461 CG PHE A 87 2.976 3.406 7.315 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.943 4.386 7.161 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.971 3.307 6.367 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.907 5.251 6.084 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.930 4.169 5.287 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.900 5.142 5.145 1.00 0.00 C ATOM 0 H PHE A 87 3.799 0.371 6.841 1.00 0.00 H new ATOM 0 HA PHE A 87 5.120 2.154 8.802 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.122 1.846 8.477 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.990 3.050 9.409 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.734 4.475 7.891 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.211 2.547 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.666 6.012 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.141 4.082 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.871 5.816 4.302 1.00 0.00 H new ATOM 1476 N ARG A 88 4.381 0.721 10.774 1.00 0.00 N ATOM 1477 CA ARG A 88 4.246 -0.267 11.837 1.00 0.00 C ATOM 1478 C ARG A 88 3.422 0.289 12.995 1.00 0.00 C ATOM 1479 O ARG A 88 3.809 1.270 13.631 1.00 0.00 O ATOM 1480 CB ARG A 88 5.625 -0.700 12.340 1.00 0.00 C ATOM 1481 CG ARG A 88 5.570 -1.667 13.511 1.00 0.00 C ATOM 1482 CD ARG A 88 6.760 -2.614 13.507 1.00 0.00 C ATOM 1483 NE ARG A 88 8.002 -1.934 13.868 1.00 0.00 N ATOM 1484 CZ ARG A 88 8.403 -1.754 15.122 1.00 0.00 C ATOM 1485 NH1 ARG A 88 7.664 -2.200 16.128 1.00 0.00 N ATOM 1486 NH2 ARG A 88 9.545 -1.126 15.370 1.00 0.00 N ATOM 0 H ARG A 88 4.737 1.626 11.082 1.00 0.00 H new ATOM 0 HA ARG A 88 3.728 -1.134 11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.172 -1.166 11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.189 0.185 12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.552 -1.107 14.446 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.645 -2.242 13.466 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.577 -3.430 14.207 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.865 -3.060 12.518 1.00 0.00 H new ATOM 0 HE ARG A 88 8.593 -1.578 13.117 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.785 -2.683 15.940 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.974 -2.061 17.090 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.115 -0.781 14.598 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.853 -0.988 16.333 1.00 0.00 H new ATOM 1500 N PHE A 89 2.285 -0.344 13.263 1.00 0.00 N ATOM 1501 CA PHE A 89 1.405 0.088 14.343 1.00 0.00 C ATOM 1502 C PHE A 89 1.801 -0.569 15.662 1.00 0.00 C ATOM 1503 O PHE A 89 1.043 -1.357 16.227 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.050 -0.248 14.009 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.727 0.792 13.163 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.613 2.138 13.473 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.477 0.424 12.058 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.234 3.098 12.696 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.100 1.380 11.277 1.00 0.00 C ATOM 1510 CZ PHE A 89 -1.979 2.718 11.598 1.00 0.00 C ATOM 0 H PHE A 89 1.951 -1.158 12.747 1.00 0.00 H new ATOM 0 HA PHE A 89 1.505 1.168 14.451 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.083 -1.205 13.489 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.609 -0.370 14.937 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.032 2.440 14.332 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.576 -0.621 11.804 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.136 4.144 12.948 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.681 1.081 10.417 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.467 3.466 10.991 1.00 0.00 H new ATOM 1520 N MET A 90 2.994 -0.238 16.146 1.00 0.00 N ATOM 1521 CA MET A 90 3.491 -0.794 17.399 1.00 0.00 C ATOM 1522 C MET A 90 2.378 -0.870 18.440 1.00 0.00 C ATOM 1523 O MET A 90 1.865 -1.949 18.739 1.00 0.00 O ATOM 1524 CB MET A 90 4.648 0.051 17.934 1.00 0.00 C ATOM 1525 CG MET A 90 5.839 0.117 16.991 1.00 0.00 C ATOM 1526 SD MET A 90 7.406 0.299 17.864 1.00 0.00 S ATOM 1527 CE MET A 90 8.118 1.694 16.994 1.00 0.00 C ATOM 0 H MET A 90 3.634 0.412 15.690 1.00 0.00 H new ATOM 0 HA MET A 90 3.850 -1.804 17.202 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.290 1.063 18.126 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.974 -0.358 18.890 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.868 -0.788 16.385 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.709 0.955 16.306 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.840 2.195 17.639 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.619 1.343 16.092 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.328 2.394 16.721 1.00 0.00 H new ATOM 1537 N LYS A 91 2.008 0.282 18.989 1.00 0.00 N ATOM 1538 CA LYS A 91 0.955 0.348 19.996 1.00 0.00 C ATOM 1539 C LYS A 91 -0.423 0.336 19.343 1.00 0.00 C ATOM 1540 O LYS A 91 -0.622 0.917 18.275 1.00 0.00 O ATOM 1541 CB LYS A 91 1.116 1.607 20.850 1.00 0.00 C ATOM 1542 CG LYS A 91 1.890 1.375 22.136 1.00 0.00 C ATOM 1543 CD LYS A 91 2.655 2.619 22.558 1.00 0.00 C ATOM 1544 CE LYS A 91 1.729 3.666 23.158 1.00 0.00 C ATOM 1545 NZ LYS A 91 1.312 3.310 24.542 1.00 0.00 N ATOM 0 H LYS A 91 2.422 1.184 18.753 1.00 0.00 H new ATOM 0 HA LYS A 91 1.042 -0.530 20.635 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.625 2.372 20.263 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.129 1.998 21.096 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.201 1.084 22.929 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.586 0.548 21.999 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.419 2.348 23.286 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.171 3.040 21.695 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.232 4.633 23.168 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.845 3.773 22.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.795 4.107 24.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.695 2.473 24.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.154 3.101 25.115 1.00 0.00 H new ATOM 1559 N THR A 92 -1.375 -0.329 19.991 1.00 0.00 N ATOM 1560 CA THR A 92 -2.734 -0.417 19.474 1.00 0.00 C ATOM 1561 C THR A 92 -3.299 0.968 19.175 1.00 0.00 C ATOM 1562 O THR A 92 -3.122 1.915 19.941 1.00 0.00 O ATOM 1563 CB THR A 92 -3.668 -1.136 20.466 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.927 -2.097 21.227 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.805 -1.830 19.733 1.00 0.00 C ATOM 0 H THR A 92 -1.229 -0.815 20.876 1.00 0.00 H new ATOM 0 HA THR A 92 -2.684 -0.994 18.551 1.00 0.00 H new ATOM 0 HB THR A 92 -4.092 -0.390 21.138 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.527 -2.549 21.857 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.451 -2.331 20.454 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.384 -1.092 19.178 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.396 -2.566 19.040 1.00 0.00 H new ATOM 1573 N PRO A 93 -3.995 1.090 18.035 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.601 2.355 17.610 1.00 0.00 C ATOM 1575 C PRO A 93 -5.780 2.757 18.489 1.00 0.00 C ATOM 1576 O PRO A 93 -6.192 3.918 18.499 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.072 2.061 16.184 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.277 0.586 16.149 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.245 0.003 17.074 1.00 0.00 C ATOM 0 HA PRO A 93 -3.900 3.187 17.679 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.994 2.594 15.954 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.330 2.375 15.450 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.284 0.324 16.473 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.157 0.199 15.137 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.612 -0.895 17.570 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.338 -0.277 16.539 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.320 1.792 19.224 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.452 2.046 20.108 1.00 0.00 C ATOM 1589 C ASP A 94 -6.980 2.312 21.534 1.00 0.00 C ATOM 1590 O ASP A 94 -7.773 2.672 22.403 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.417 0.860 20.090 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.445 0.966 18.980 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -9.051 1.265 17.833 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.642 0.750 19.258 1.00 0.00 O ATOM 0 H ASP A 94 -5.992 0.826 19.226 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.972 2.933 19.745 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.851 -0.064 19.970 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.929 0.797 21.050 1.00 0.00 H new ATOM 1599 N GLU A 95 -5.683 2.130 21.766 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.107 2.348 23.087 1.00 0.00 C ATOM 1601 C GLU A 95 -5.037 3.838 23.411 1.00 0.00 C ATOM 1602 O GLU A 95 -5.119 4.235 24.574 1.00 0.00 O ATOM 1603 CB GLU A 95 -3.708 1.733 23.166 1.00 0.00 C ATOM 1604 CG GLU A 95 -2.825 2.361 24.230 1.00 0.00 C ATOM 1605 CD GLU A 95 -3.532 2.507 25.564 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -4.414 1.674 25.861 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.206 3.454 26.309 1.00 0.00 O ATOM 0 H GLU A 95 -5.013 1.833 21.057 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.752 1.863 23.820 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.801 0.666 23.367 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.221 1.834 22.196 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.931 1.751 24.362 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.494 3.342 23.889 1.00 0.00 H new ATOM 1794 N LEU A 107 -4.861 16.875 15.782 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.205 16.655 14.498 1.00 0.00 C ATOM 1796 C LEU A 107 -5.211 16.213 13.440 1.00 0.00 C ATOM 1797 O LEU A 107 -4.879 15.443 12.539 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.102 15.605 14.640 1.00 0.00 C ATOM 1799 CG LEU A 107 -1.715 16.133 15.009 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.062 16.801 13.809 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.808 17.104 16.177 1.00 0.00 C ATOM 0 HA LEU A 107 -3.762 17.598 14.179 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.409 14.886 15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.023 15.061 13.699 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.094 15.290 15.312 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.076 17.171 14.090 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.961 16.077 13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.680 17.634 13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.812 17.470 16.426 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.445 17.945 15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.234 16.594 17.041 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.440 16.706 13.556 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.493 16.362 12.609 1.00 0.00 C ATOM 1815 C GLU A 108 -7.335 17.147 11.310 1.00 0.00 C ATOM 1816 O GLU A 108 -7.420 16.585 10.218 1.00 0.00 O ATOM 1817 CB GLU A 108 -8.869 16.637 13.219 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.061 18.077 13.663 1.00 0.00 C ATOM 1819 CD GLU A 108 -9.640 18.953 12.569 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -9.839 18.444 11.446 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -9.895 20.146 12.836 1.00 0.00 O ATOM 0 H GLU A 108 -6.730 17.345 14.296 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.409 15.299 12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.638 16.385 12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.016 15.979 14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.721 18.101 14.530 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.102 18.486 13.981 1.00 0.00 H new ATOM 1828 N SER A 109 -7.104 18.450 11.438 1.00 0.00 N ATOM 1829 CA SER A 109 -6.938 19.314 10.275 1.00 0.00 C ATOM 1830 C SER A 109 -5.748 20.251 10.459 1.00 0.00 C ATOM 1831 O SER A 109 -5.851 21.455 10.228 1.00 0.00 O ATOM 1832 CB SER A 109 -8.210 20.129 10.033 1.00 0.00 C ATOM 1833 OG SER A 109 -9.146 19.398 9.261 1.00 0.00 O ATOM 0 H SER A 109 -7.028 18.930 12.335 1.00 0.00 H new ATOM 0 HA SER A 109 -6.749 18.681 9.408 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.657 20.403 10.989 1.00 0.00 H new ATOM 0 HB3 SER A 109 -7.958 21.058 9.521 1.00 0.00 H new ATOM 0 HG SER A 109 -9.544 18.692 9.812 1.00 0.00 H new ATOM 1839 N GLN A 110 -4.619 19.687 10.878 1.00 0.00 N ATOM 1840 CA GLN A 110 -3.409 20.471 11.095 1.00 0.00 C ATOM 1841 C GLN A 110 -2.493 20.407 9.877 1.00 0.00 C ATOM 1842 O GLN A 110 -2.237 21.421 9.228 1.00 0.00 O ATOM 1843 CB GLN A 110 -2.666 19.969 12.334 1.00 0.00 C ATOM 1844 CG GLN A 110 -1.664 20.968 12.889 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.231 20.636 14.303 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -0.055 20.377 14.560 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -2.181 20.643 15.231 1.00 0.00 N ATOM 0 H GLN A 110 -4.517 18.691 11.074 1.00 0.00 H new ATOM 0 HA GLN A 110 -3.702 21.509 11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.392 19.727 13.110 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.145 19.044 12.085 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -0.787 20.995 12.242 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.104 21.965 12.872 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.143 20.863 14.974 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.948 20.428 16.201 1.00 0.00 H new ATOM 1856 N GLU A 111 -2.004 19.209 9.573 1.00 0.00 N ATOM 1857 CA GLU A 111 -1.116 19.014 8.433 1.00 0.00 C ATOM 1858 C GLU A 111 -1.852 19.264 7.120 1.00 0.00 C ATOM 1859 O GLU A 111 -1.335 19.929 6.222 1.00 0.00 O ATOM 1860 CB GLU A 111 -0.538 17.597 8.445 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.589 16.510 8.298 1.00 0.00 C ATOM 1862 CD GLU A 111 -1.856 16.148 6.850 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -1.551 16.975 5.966 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -2.370 15.037 6.603 1.00 0.00 O ATOM 0 H GLU A 111 -2.208 18.360 10.100 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.300 19.732 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.186 17.502 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 111 0.004 17.443 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.264 15.620 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.517 16.842 8.763 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.062 18.726 7.016 1.00 0.00 N ATOM 1872 CA LEU A 112 -3.872 18.889 5.813 1.00 0.00 C ATOM 1873 C LEU A 112 -3.953 20.357 5.407 1.00 0.00 C ATOM 1874 O LEU A 112 -3.678 20.709 4.260 1.00 0.00 O ATOM 1875 CB LEU A 112 -5.278 18.332 6.042 1.00 0.00 C ATOM 1876 CG LEU A 112 -5.368 16.835 6.337 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -6.762 16.469 6.823 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.002 16.025 5.102 1.00 0.00 C ATOM 0 H LEU A 112 -3.504 18.173 7.750 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.396 18.334 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.730 18.873 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.879 18.544 5.158 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.656 16.597 7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.807 15.399 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.987 17.023 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.493 16.722 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.072 14.962 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.689 16.268 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.983 16.265 4.798 1.00 0.00 H new