USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.91) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.88! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.092) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.55) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.689) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00699 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0.187 (180deg=0.119) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -28:sc= 0.0847 USER MOD Single : A 62 MET CE :methyl -110:sc= -1.48 (180deg=-6.42!) USER MOD Single : A 64 MET CE :methyl 168:sc=-0.00246 (180deg=-0.187) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= -2.55 USER MOD Single : A 85 SER OG : rot -160:sc= -0.381 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -90:sc= 0.123 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.401 20.164 -1.556 1.00 0.00 N ATOM 81 CA ALA A 9 4.658 18.732 -1.469 1.00 0.00 C ATOM 82 C ALA A 9 3.398 17.929 -1.770 1.00 0.00 C ATOM 83 O ALA A 9 3.205 16.836 -1.238 1.00 0.00 O ATOM 84 CB ALA A 9 5.198 18.375 -0.092 1.00 0.00 C ATOM 0 HA ALA A 9 5.407 18.476 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.385 17.302 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.128 18.915 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.468 18.652 0.668 1.00 0.00 H new ATOM 90 N ALA A 10 2.542 18.478 -2.626 1.00 0.00 N ATOM 91 CA ALA A 10 1.300 17.812 -2.998 1.00 0.00 C ATOM 92 C ALA A 10 1.577 16.531 -3.779 1.00 0.00 C ATOM 93 O ALA A 10 2.714 16.264 -4.168 1.00 0.00 O ATOM 94 CB ALA A 10 0.422 18.749 -3.813 1.00 0.00 C ATOM 0 H ALA A 10 2.686 19.383 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 10 0.773 17.542 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.502 18.238 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.187 19.634 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.950 19.047 -4.718 1.00 0.00 H new ATOM 100 N ILE A 11 0.531 15.743 -4.003 1.00 0.00 N ATOM 101 CA ILE A 11 0.663 14.490 -4.737 1.00 0.00 C ATOM 102 C ILE A 11 0.268 14.667 -6.200 1.00 0.00 C ATOM 103 O ILE A 11 -0.860 15.053 -6.506 1.00 0.00 O ATOM 104 CB ILE A 11 -0.202 13.379 -4.114 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.116 13.228 -2.625 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.019 12.063 -4.845 1.00 0.00 C ATOM 107 CD1 ILE A 11 -1.003 12.596 -1.829 1.00 0.00 C ATOM 0 H ILE A 11 -0.417 15.950 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 11 1.712 14.198 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.251 13.657 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.016 12.624 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.338 14.210 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.599 11.287 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.254 12.179 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.069 11.778 -4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.708 12.521 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.899 13.211 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.210 11.600 -2.220 1.00 0.00 H new ATOM 119 N ILE A 12 1.204 14.379 -7.098 1.00 0.00 N ATOM 120 CA ILE A 12 0.953 14.503 -8.528 1.00 0.00 C ATOM 121 C ILE A 12 0.522 13.169 -9.128 1.00 0.00 C ATOM 122 O ILE A 12 -0.324 13.122 -10.022 1.00 0.00 O ATOM 123 CB ILE A 12 2.200 15.011 -9.277 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.472 14.496 -8.601 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.201 16.531 -9.333 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.923 15.346 -7.434 1.00 0.00 C ATOM 0 H ILE A 12 2.143 14.058 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 12 0.148 15.229 -8.645 1.00 0.00 H new ATOM 0 HB ILE A 12 2.174 14.630 -10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.302 13.477 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.273 14.452 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.088 16.875 -9.865 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.308 16.876 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.207 16.932 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.830 14.921 -7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.125 16.360 -7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.139 15.370 -6.677 1.00 0.00 H new ATOM 138 N LYS A 13 1.107 12.085 -8.630 1.00 0.00 N ATOM 139 CA LYS A 13 0.782 10.749 -9.113 1.00 0.00 C ATOM 140 C LYS A 13 -0.009 9.969 -8.068 1.00 0.00 C ATOM 141 O LYS A 13 0.549 9.397 -7.131 1.00 0.00 O ATOM 142 CB LYS A 13 2.061 9.989 -9.471 1.00 0.00 C ATOM 143 CG LYS A 13 2.804 10.574 -10.659 1.00 0.00 C ATOM 144 CD LYS A 13 4.008 9.726 -11.037 1.00 0.00 C ATOM 145 CE LYS A 13 4.618 10.180 -12.354 1.00 0.00 C ATOM 146 NZ LYS A 13 3.918 9.581 -13.525 1.00 0.00 N ATOM 0 H LYS A 13 1.810 12.106 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 13 0.166 10.853 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.724 9.983 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.808 8.951 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.128 10.648 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.131 11.586 -10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.758 9.785 -10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.708 8.681 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.572 11.267 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.672 9.904 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.363 9.915 -14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.984 8.544 -13.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.918 9.865 -13.514 1.00 0.00 H new ATOM 160 N PRO A 14 -1.341 9.944 -8.229 1.00 0.00 N ATOM 161 CA PRO A 14 -2.237 9.237 -7.310 1.00 0.00 C ATOM 162 C PRO A 14 -2.097 7.722 -7.416 1.00 0.00 C ATOM 163 O PRO A 14 -1.631 7.200 -8.430 1.00 0.00 O ATOM 164 CB PRO A 14 -3.630 9.678 -7.763 1.00 0.00 C ATOM 165 CG PRO A 14 -3.464 10.046 -9.197 1.00 0.00 C ATOM 166 CD PRO A 14 -2.074 10.605 -9.322 1.00 0.00 C ATOM 0 HA PRO A 14 -2.019 9.471 -6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.358 8.876 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.988 10.524 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.594 9.176 -9.841 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.209 10.781 -9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.636 10.379 -10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.066 11.690 -9.213 1.00 0.00 H new ATOM 174 N LEU A 15 -2.503 7.020 -6.364 1.00 0.00 N ATOM 175 CA LEU A 15 -2.424 5.564 -6.338 1.00 0.00 C ATOM 176 C LEU A 15 -3.328 4.951 -7.403 1.00 0.00 C ATOM 177 O LEU A 15 -4.055 5.661 -8.097 1.00 0.00 O ATOM 178 CB LEU A 15 -2.814 5.036 -4.956 1.00 0.00 C ATOM 179 CG LEU A 15 -2.094 5.673 -3.767 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.841 5.385 -2.474 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.660 5.170 -3.680 1.00 0.00 C ATOM 0 H LEU A 15 -2.891 7.436 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.394 5.277 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.887 5.178 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.630 3.962 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.071 6.752 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.314 5.846 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.849 5.794 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.896 4.308 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.163 5.634 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.661 4.087 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.128 5.428 -4.595 1.00 0.00 H new ATOM 193 N GLU A 16 -3.279 3.628 -7.524 1.00 0.00 N ATOM 194 CA GLU A 16 -4.095 2.920 -8.503 1.00 0.00 C ATOM 195 C GLU A 16 -4.646 1.623 -7.916 1.00 0.00 C ATOM 196 O GLU A 16 -3.956 0.922 -7.175 1.00 0.00 O ATOM 197 CB GLU A 16 -3.276 2.617 -9.759 1.00 0.00 C ATOM 198 CG GLU A 16 -2.750 3.860 -10.457 1.00 0.00 C ATOM 199 CD GLU A 16 -1.409 4.312 -9.911 1.00 0.00 C ATOM 200 OE1 GLU A 16 -1.121 4.021 -8.731 1.00 0.00 O ATOM 201 OE2 GLU A 16 -0.648 4.956 -10.663 1.00 0.00 O ATOM 0 H GLU A 16 -2.683 3.025 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.934 3.562 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.435 1.979 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.893 2.052 -10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.655 3.660 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.474 4.668 -10.347 1.00 0.00 H new ATOM 208 N ASP A 17 -5.892 1.311 -8.253 1.00 0.00 N ATOM 209 CA ASP A 17 -6.536 0.098 -7.761 1.00 0.00 C ATOM 210 C ASP A 17 -5.657 -1.123 -8.010 1.00 0.00 C ATOM 211 O ASP A 17 -5.355 -1.459 -9.155 1.00 0.00 O ATOM 212 CB ASP A 17 -7.897 -0.091 -8.435 1.00 0.00 C ATOM 213 CG ASP A 17 -8.902 0.963 -8.015 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.698 1.589 -6.954 1.00 0.00 O ATOM 215 OD2 ASP A 17 -9.893 1.162 -8.749 1.00 0.00 O ATOM 0 H ASP A 17 -6.477 1.881 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.683 0.204 -6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.771 -0.058 -9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.287 -1.079 -8.189 1.00 0.00 H new ATOM 220 N GLN A 18 -5.250 -1.782 -6.930 1.00 0.00 N ATOM 221 CA GLN A 18 -4.404 -2.965 -7.032 1.00 0.00 C ATOM 222 C GLN A 18 -5.247 -4.236 -7.072 1.00 0.00 C ATOM 223 O GLN A 18 -6.286 -4.324 -6.417 1.00 0.00 O ATOM 224 CB GLN A 18 -3.429 -3.024 -5.854 1.00 0.00 C ATOM 225 CG GLN A 18 -2.364 -1.940 -5.892 1.00 0.00 C ATOM 226 CD GLN A 18 -1.497 -2.016 -7.133 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.293 -3.092 -7.697 1.00 0.00 O ATOM 228 NE2 GLN A 18 -0.982 -0.872 -7.567 1.00 0.00 N ATOM 0 H GLN A 18 -5.492 -1.517 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.838 -2.896 -7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.990 -2.938 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.943 -3.999 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.844 -0.963 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.733 -2.025 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.177 -0.003 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.391 -0.862 -8.399 1.00 0.00 H new ATOM 237 N TRP A 19 -4.794 -5.216 -7.845 1.00 0.00 N ATOM 238 CA TRP A 19 -5.508 -6.482 -7.972 1.00 0.00 C ATOM 239 C TRP A 19 -4.585 -7.659 -7.675 1.00 0.00 C ATOM 240 O TRP A 19 -3.699 -7.980 -8.467 1.00 0.00 O ATOM 241 CB TRP A 19 -6.097 -6.621 -9.376 1.00 0.00 C ATOM 242 CG TRP A 19 -7.396 -5.894 -9.550 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.641 -6.353 -9.227 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.578 -4.580 -10.090 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.586 -5.404 -9.534 1.00 0.00 N ATOM 246 CE2 TRP A 19 -8.960 -4.307 -10.064 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.708 -3.608 -10.591 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.488 -3.103 -10.520 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.235 -2.414 -11.044 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.614 -2.169 -11.005 1.00 0.00 C ATOM 0 H TRP A 19 -3.936 -5.159 -8.393 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.319 -6.488 -7.244 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.378 -6.244 -10.103 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.248 -7.678 -9.596 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.852 -7.320 -8.794 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.591 -5.501 -9.390 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.643 -3.787 -10.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.551 -2.913 -10.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.572 -1.656 -11.435 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.994 -1.224 -11.365 1.00 0.00 H new ATOM 261 N VAL A 20 -4.799 -8.299 -6.530 1.00 0.00 N ATOM 262 CA VAL A 20 -3.986 -9.442 -6.130 1.00 0.00 C ATOM 263 C VAL A 20 -4.850 -10.549 -5.536 1.00 0.00 C ATOM 264 O VAL A 20 -6.076 -10.446 -5.508 1.00 0.00 O ATOM 265 CB VAL A 20 -2.914 -9.036 -5.102 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.089 -7.868 -5.623 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.558 -8.690 -3.768 1.00 0.00 C ATOM 0 H VAL A 20 -5.528 -8.046 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.494 -9.811 -7.030 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.245 -9.883 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.337 -7.595 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.597 -8.156 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.742 -7.015 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.785 -8.405 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.251 -7.859 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.100 -9.557 -3.390 1.00 0.00 H new ATOM 277 N ALA A 21 -4.202 -11.607 -5.061 1.00 0.00 N ATOM 278 CA ALA A 21 -4.910 -12.733 -4.465 1.00 0.00 C ATOM 279 C ALA A 21 -4.729 -12.756 -2.951 1.00 0.00 C ATOM 280 O ALA A 21 -3.846 -12.101 -2.398 1.00 0.00 O ATOM 281 CB ALA A 21 -4.431 -14.041 -5.076 1.00 0.00 C ATOM 0 H ALA A 21 -3.187 -11.708 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.973 -12.615 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.968 -14.873 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.618 -14.031 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.362 -14.157 -4.895 1.00 0.00 H new ATOM 287 N PRO A 22 -5.584 -13.528 -2.264 1.00 0.00 N ATOM 288 CA PRO A 22 -5.538 -13.655 -0.804 1.00 0.00 C ATOM 289 C PRO A 22 -4.309 -14.422 -0.328 1.00 0.00 C ATOM 290 O PRO A 22 -4.367 -15.631 -0.108 1.00 0.00 O ATOM 291 CB PRO A 22 -6.814 -14.433 -0.475 1.00 0.00 C ATOM 292 CG PRO A 22 -7.122 -15.198 -1.716 1.00 0.00 C ATOM 293 CD PRO A 22 -6.661 -14.337 -2.859 1.00 0.00 C ATOM 0 HA PRO A 22 -5.476 -12.684 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.663 -15.100 0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.631 -13.761 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.608 -16.159 -1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.189 -15.407 -1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.298 -14.937 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.468 -13.712 -3.242 1.00 0.00 H new ATOM 301 N GLY A 23 -3.197 -13.710 -0.169 1.00 0.00 N ATOM 302 CA GLY A 23 -1.970 -14.341 0.281 1.00 0.00 C ATOM 303 C GLY A 23 -0.736 -13.719 -0.342 1.00 0.00 C ATOM 304 O GLY A 23 0.389 -14.051 0.031 1.00 0.00 O ATOM 0 H GLY A 23 -3.124 -12.708 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.903 -14.265 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.000 -15.403 0.037 1.00 0.00 H new ATOM 308 N GLU A 24 -0.947 -12.816 -1.294 1.00 0.00 N ATOM 309 CA GLU A 24 0.159 -12.149 -1.971 1.00 0.00 C ATOM 310 C GLU A 24 0.439 -10.787 -1.344 1.00 0.00 C ATOM 311 O GLU A 24 -0.318 -10.315 -0.495 1.00 0.00 O ATOM 312 CB GLU A 24 -0.151 -11.983 -3.461 1.00 0.00 C ATOM 313 CG GLU A 24 -0.497 -13.287 -4.160 1.00 0.00 C ATOM 314 CD GLU A 24 0.726 -14.000 -4.702 1.00 0.00 C ATOM 315 OE1 GLU A 24 1.675 -13.309 -5.127 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.734 -15.249 -4.702 1.00 0.00 O ATOM 0 H GLU A 24 -1.872 -12.530 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 24 1.047 -12.771 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.983 -11.288 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.710 -11.533 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.016 -13.943 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.187 -13.084 -4.979 1.00 0.00 H new ATOM 323 N ASP A 25 1.531 -10.160 -1.767 1.00 0.00 N ATOM 324 CA ASP A 25 1.912 -8.852 -1.247 1.00 0.00 C ATOM 325 C ASP A 25 1.415 -7.738 -2.163 1.00 0.00 C ATOM 326 O ASP A 25 1.027 -7.986 -3.305 1.00 0.00 O ATOM 327 CB ASP A 25 3.431 -8.763 -1.093 1.00 0.00 C ATOM 328 CG ASP A 25 4.161 -9.015 -2.397 1.00 0.00 C ATOM 329 OD1 ASP A 25 3.772 -9.955 -3.122 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.122 -8.274 -2.692 1.00 0.00 O ATOM 0 H ASP A 25 2.168 -10.537 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 25 1.448 -8.728 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.698 -7.776 -0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.761 -9.488 -0.349 1.00 0.00 H new ATOM 335 N VAL A 26 1.430 -6.510 -1.655 1.00 0.00 N ATOM 336 CA VAL A 26 0.981 -5.357 -2.427 1.00 0.00 C ATOM 337 C VAL A 26 1.892 -4.156 -2.201 1.00 0.00 C ATOM 338 O VAL A 26 2.421 -3.963 -1.106 1.00 0.00 O ATOM 339 CB VAL A 26 -0.464 -4.968 -2.065 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.886 -3.717 -2.822 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.414 -6.120 -2.353 1.00 0.00 C ATOM 0 H VAL A 26 1.748 -6.288 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 26 1.019 -5.645 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.506 -4.750 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.910 -3.457 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.222 -2.893 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.828 -3.904 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.431 -5.827 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.370 -6.371 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.123 -6.988 -1.762 1.00 0.00 H new ATOM 351 N GLU A 27 2.070 -3.350 -3.243 1.00 0.00 N ATOM 352 CA GLU A 27 2.917 -2.166 -3.157 1.00 0.00 C ATOM 353 C GLU A 27 2.243 -0.966 -3.815 1.00 0.00 C ATOM 354 O GLU A 27 1.971 -0.973 -5.016 1.00 0.00 O ATOM 355 CB GLU A 27 4.271 -2.432 -3.819 1.00 0.00 C ATOM 356 CG GLU A 27 5.005 -3.631 -3.243 1.00 0.00 C ATOM 357 CD GLU A 27 6.173 -4.069 -4.106 1.00 0.00 C ATOM 358 OE1 GLU A 27 6.138 -3.810 -5.327 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.122 -4.670 -3.560 1.00 0.00 O ATOM 0 H GLU A 27 1.639 -3.495 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 27 3.075 -1.939 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.119 -2.588 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.898 -1.547 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.367 -3.385 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.307 -4.461 -3.133 1.00 0.00 H new ATOM 366 N LEU A 28 1.977 0.064 -3.020 1.00 0.00 N ATOM 367 CA LEU A 28 1.334 1.273 -3.524 1.00 0.00 C ATOM 368 C LEU A 28 2.301 2.453 -3.504 1.00 0.00 C ATOM 369 O LEU A 28 2.498 3.090 -2.469 1.00 0.00 O ATOM 370 CB LEU A 28 0.095 1.601 -2.690 1.00 0.00 C ATOM 371 CG LEU A 28 -0.928 0.475 -2.536 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.659 0.595 -1.208 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.916 0.490 -3.694 1.00 0.00 C ATOM 0 H LEU A 28 2.196 0.087 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 28 1.032 1.091 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.421 1.907 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.404 2.459 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.397 -0.477 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.383 -0.215 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.941 0.534 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.178 1.552 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.637 -0.318 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.441 1.445 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.379 0.354 -4.633 1.00 0.00 H new ATOM 385 N ARG A 29 2.901 2.739 -4.655 1.00 0.00 N ATOM 386 CA ARG A 29 3.847 3.843 -4.769 1.00 0.00 C ATOM 387 C ARG A 29 3.140 5.121 -5.211 1.00 0.00 C ATOM 388 O ARG A 29 2.149 5.074 -5.942 1.00 0.00 O ATOM 389 CB ARG A 29 4.955 3.491 -5.763 1.00 0.00 C ATOM 390 CG ARG A 29 6.007 2.552 -5.195 1.00 0.00 C ATOM 391 CD ARG A 29 6.639 1.700 -6.284 1.00 0.00 C ATOM 392 NE ARG A 29 5.654 0.869 -6.970 1.00 0.00 N ATOM 393 CZ ARG A 29 5.974 -0.159 -7.749 1.00 0.00 C ATOM 394 NH1 ARG A 29 7.247 -0.480 -7.939 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.021 -0.868 -8.340 1.00 0.00 N ATOM 0 H ARG A 29 2.749 2.222 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 29 4.289 4.014 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.508 3.032 -6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.440 4.409 -6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.780 3.132 -4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.552 1.906 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.135 2.347 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.408 1.064 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 29 4.666 1.090 -6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.983 0.063 -7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.490 -1.269 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.041 -0.624 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.268 -1.657 -8.938 1.00 0.00 H new ATOM 409 N CYS A 30 3.654 6.261 -4.763 1.00 0.00 N ATOM 410 CA CYS A 30 3.071 7.552 -5.111 1.00 0.00 C ATOM 411 C CYS A 30 4.159 8.569 -5.438 1.00 0.00 C ATOM 412 O CYS A 30 5.346 8.244 -5.435 1.00 0.00 O ATOM 413 CB CYS A 30 2.202 8.068 -3.963 1.00 0.00 C ATOM 414 SG CYS A 30 3.108 9.019 -2.721 1.00 0.00 S ATOM 0 H CYS A 30 4.473 6.318 -4.158 1.00 0.00 H new ATOM 0 HA CYS A 30 2.449 7.416 -5.995 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.408 8.691 -4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.721 7.220 -3.476 1.00 0.00 H new ATOM 0 HG CYS A 30 2.288 9.414 -1.793 1.00 0.00 H new ATOM 420 N GLU A 31 3.746 9.800 -5.723 1.00 0.00 N ATOM 421 CA GLU A 31 4.686 10.863 -6.055 1.00 0.00 C ATOM 422 C GLU A 31 4.309 12.163 -5.350 1.00 0.00 C ATOM 423 O GLU A 31 3.137 12.409 -5.062 1.00 0.00 O ATOM 424 CB GLU A 31 4.725 11.085 -7.569 1.00 0.00 C ATOM 425 CG GLU A 31 5.914 11.909 -8.033 1.00 0.00 C ATOM 426 CD GLU A 31 6.113 11.853 -9.535 1.00 0.00 C ATOM 427 OE1 GLU A 31 5.342 12.515 -10.260 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.040 11.147 -9.985 1.00 0.00 O ATOM 0 H GLU A 31 2.767 10.085 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 31 5.675 10.558 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.747 10.117 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.806 11.583 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.774 12.946 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.816 11.550 -7.537 1.00 0.00 H new ATOM 435 N LEU A 32 5.311 12.991 -5.073 1.00 0.00 N ATOM 436 CA LEU A 32 5.087 14.265 -4.400 1.00 0.00 C ATOM 437 C LEU A 32 5.868 15.385 -5.080 1.00 0.00 C ATOM 438 O LEU A 32 7.007 15.191 -5.505 1.00 0.00 O ATOM 439 CB LEU A 32 5.492 14.166 -2.929 1.00 0.00 C ATOM 440 CG LEU A 32 5.124 12.863 -2.218 1.00 0.00 C ATOM 441 CD1 LEU A 32 5.985 12.670 -0.979 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.647 12.855 -1.850 1.00 0.00 C ATOM 0 H LEU A 32 6.286 12.802 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 32 4.024 14.498 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.571 14.302 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.031 14.994 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 32 5.313 12.033 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.709 11.738 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.035 12.631 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.828 13.503 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.403 11.920 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.433 13.693 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.046 12.946 -2.755 1.00 0.00 H new ATOM 454 N SER A 33 5.249 16.557 -5.179 1.00 0.00 N ATOM 455 CA SER A 33 5.886 17.708 -5.808 1.00 0.00 C ATOM 456 C SER A 33 7.181 18.073 -5.089 1.00 0.00 C ATOM 457 O SER A 33 8.082 18.672 -5.676 1.00 0.00 O ATOM 458 CB SER A 33 4.935 18.906 -5.810 1.00 0.00 C ATOM 459 OG SER A 33 5.588 20.075 -6.273 1.00 0.00 O ATOM 0 H SER A 33 4.307 16.735 -4.831 1.00 0.00 H new ATOM 0 HA SER A 33 6.126 17.442 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.075 18.691 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.554 19.073 -4.803 1.00 0.00 H new ATOM 0 HG SER A 33 4.958 20.826 -6.266 1.00 0.00 H new ATOM 465 N ARG A 34 7.266 17.707 -3.815 1.00 0.00 N ATOM 466 CA ARG A 34 8.450 17.996 -3.014 1.00 0.00 C ATOM 467 C ARG A 34 8.678 16.908 -1.969 1.00 0.00 C ATOM 468 O ARG A 34 7.730 16.392 -1.378 1.00 0.00 O ATOM 469 CB ARG A 34 8.307 19.356 -2.328 1.00 0.00 C ATOM 470 CG ARG A 34 9.331 19.594 -1.230 1.00 0.00 C ATOM 471 CD ARG A 34 8.823 19.114 0.120 1.00 0.00 C ATOM 472 NE ARG A 34 7.932 20.088 0.747 1.00 0.00 N ATOM 473 CZ ARG A 34 8.359 21.182 1.366 1.00 0.00 C ATOM 474 NH1 ARG A 34 9.657 21.442 1.441 1.00 0.00 N ATOM 475 NH2 ARG A 34 7.487 22.020 1.912 1.00 0.00 N ATOM 0 H ARG A 34 6.529 17.210 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 34 9.312 18.021 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.400 20.143 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.306 19.436 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.257 19.075 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.566 20.657 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.295 18.169 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.670 18.921 0.778 1.00 0.00 H new ATOM 0 HE ARG A 34 6.927 19.918 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.331 20.801 1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.982 22.283 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.488 21.824 1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.816 22.860 2.387 1.00 0.00 H new ATOM 489 N ALA A 35 9.943 16.564 -1.747 1.00 0.00 N ATOM 490 CA ALA A 35 10.296 15.539 -0.773 1.00 0.00 C ATOM 491 C ALA A 35 10.502 16.145 0.611 1.00 0.00 C ATOM 492 O ALA A 35 11.125 17.196 0.753 1.00 0.00 O ATOM 493 CB ALA A 35 11.548 14.798 -1.218 1.00 0.00 C ATOM 0 H ALA A 35 10.740 16.980 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 35 9.470 14.831 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.801 14.035 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.367 14.325 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.375 15.502 -1.309 1.00 0.00 H new ATOM 534 N VAL A 39 3.618 11.440 4.832 1.00 0.00 N ATOM 535 CA VAL A 39 2.395 10.917 4.236 1.00 0.00 C ATOM 536 C VAL A 39 1.489 10.297 5.294 1.00 0.00 C ATOM 537 O VAL A 39 1.952 9.879 6.355 1.00 0.00 O ATOM 538 CB VAL A 39 2.703 9.862 3.157 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.058 8.530 3.799 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.522 9.709 2.209 1.00 0.00 C ATOM 0 HA VAL A 39 1.883 11.761 3.773 1.00 0.00 H new ATOM 0 HB VAL A 39 3.563 10.200 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.272 7.797 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.936 8.654 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.220 8.183 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.757 8.960 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.643 9.394 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.319 10.663 1.723 1.00 0.00 H new ATOM 550 N HIS A 40 0.194 10.240 4.997 1.00 0.00 N ATOM 551 CA HIS A 40 -0.778 9.669 5.923 1.00 0.00 C ATOM 552 C HIS A 40 -1.517 8.499 5.281 1.00 0.00 C ATOM 553 O HIS A 40 -2.436 8.694 4.486 1.00 0.00 O ATOM 554 CB HIS A 40 -1.777 10.736 6.368 1.00 0.00 C ATOM 555 CG HIS A 40 -2.263 10.553 7.773 1.00 0.00 C ATOM 556 ND1 HIS A 40 -3.471 11.045 8.222 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.698 9.926 8.831 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.626 10.730 9.495 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.564 10.050 9.889 1.00 0.00 N ATOM 0 H HIS A 40 -0.206 10.582 4.123 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.239 9.300 6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.312 11.718 6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.632 10.726 5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.743 9.422 8.841 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.477 10.985 10.110 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.412 9.678 10.826 1.00 0.00 H new ATOM 568 N TRP A 41 -1.109 7.285 5.631 1.00 0.00 N ATOM 569 CA TRP A 41 -1.733 6.083 5.088 1.00 0.00 C ATOM 570 C TRP A 41 -2.922 5.655 5.940 1.00 0.00 C ATOM 571 O TRP A 41 -2.753 5.092 7.023 1.00 0.00 O ATOM 572 CB TRP A 41 -0.712 4.946 5.007 1.00 0.00 C ATOM 573 CG TRP A 41 0.372 5.192 4.002 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.619 5.694 4.248 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.306 4.950 2.593 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.331 5.778 3.077 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.549 5.326 2.047 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.680 4.448 1.740 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.827 5.218 0.687 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.402 4.342 0.390 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.843 4.725 -0.126 1.00 0.00 C ATOM 0 H TRP A 41 -0.349 7.106 6.288 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.093 6.312 4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.261 4.801 5.989 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.229 4.020 4.754 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.990 5.982 5.220 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.287 6.121 2.988 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.642 4.148 2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.786 5.513 0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.158 3.957 -0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.030 4.629 -1.185 1.00 0.00 H new ATOM 592 N LEU A 42 -4.126 5.924 5.446 1.00 0.00 N ATOM 593 CA LEU A 42 -5.345 5.566 6.162 1.00 0.00 C ATOM 594 C LEU A 42 -6.007 4.344 5.533 1.00 0.00 C ATOM 595 O LEU A 42 -6.212 4.291 4.320 1.00 0.00 O ATOM 596 CB LEU A 42 -6.321 6.743 6.168 1.00 0.00 C ATOM 597 CG LEU A 42 -5.769 8.070 6.692 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.448 9.241 5.998 1.00 0.00 C ATOM 599 CD2 LEU A 42 -5.949 8.164 8.200 1.00 0.00 C ATOM 0 H LEU A 42 -4.284 6.389 4.552 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.075 5.321 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.679 6.898 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.186 6.469 6.772 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.703 8.111 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.043 10.177 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.268 9.182 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.521 9.204 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.551 9.114 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.009 8.101 8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.416 7.344 8.682 1.00 0.00 H new ATOM 611 N LYS A 43 -6.343 3.365 6.366 1.00 0.00 N ATOM 612 CA LYS A 43 -6.986 2.145 5.893 1.00 0.00 C ATOM 613 C LYS A 43 -8.411 2.039 6.426 1.00 0.00 C ATOM 614 O LYS A 43 -8.623 1.744 7.603 1.00 0.00 O ATOM 615 CB LYS A 43 -6.177 0.918 6.322 1.00 0.00 C ATOM 616 CG LYS A 43 -6.920 -0.394 6.139 1.00 0.00 C ATOM 617 CD LYS A 43 -7.185 -0.685 4.671 1.00 0.00 C ATOM 618 CE LYS A 43 -7.396 -2.172 4.427 1.00 0.00 C ATOM 619 NZ LYS A 43 -8.737 -2.625 4.888 1.00 0.00 N ATOM 0 H LYS A 43 -6.181 3.393 7.373 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.026 2.184 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.251 0.885 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.898 1.025 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.337 -1.207 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.866 -0.356 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.065 -0.133 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.346 -0.332 4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.287 -2.385 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.623 -2.738 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.952 -3.553 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.740 -2.702 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.457 -1.937 4.590 1.00 0.00 H new ATOM 633 N ASP A 44 -9.384 2.279 5.554 1.00 0.00 N ATOM 634 CA ASP A 44 -10.789 2.209 5.937 1.00 0.00 C ATOM 635 C ASP A 44 -11.086 3.160 7.092 1.00 0.00 C ATOM 636 O ASP A 44 -11.758 2.792 8.055 1.00 0.00 O ATOM 637 CB ASP A 44 -11.161 0.778 6.330 1.00 0.00 C ATOM 638 CG ASP A 44 -11.605 -0.052 5.141 1.00 0.00 C ATOM 639 OD1 ASP A 44 -12.799 0.016 4.782 1.00 0.00 O ATOM 640 OD2 ASP A 44 -10.757 -0.769 4.569 1.00 0.00 O ATOM 0 H ASP A 44 -9.225 2.524 4.577 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.390 2.510 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.304 0.300 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.961 0.804 7.070 1.00 0.00 H new ATOM 645 N ARG A 45 -10.580 4.385 6.988 1.00 0.00 N ATOM 646 CA ARG A 45 -10.790 5.388 8.024 1.00 0.00 C ATOM 647 C ARG A 45 -10.032 5.022 9.297 1.00 0.00 C ATOM 648 O ARG A 45 -10.568 5.116 10.401 1.00 0.00 O ATOM 649 CB ARG A 45 -12.282 5.533 8.330 1.00 0.00 C ATOM 650 CG ARG A 45 -13.144 5.704 7.090 1.00 0.00 C ATOM 651 CD ARG A 45 -13.306 7.171 6.723 1.00 0.00 C ATOM 652 NE ARG A 45 -14.405 7.799 7.450 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.813 9.045 7.234 1.00 0.00 C ATOM 654 NH1 ARG A 45 -14.215 9.791 6.315 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.820 9.546 7.937 1.00 0.00 N ATOM 0 H ARG A 45 -10.022 4.706 6.197 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.408 6.340 7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.619 4.653 8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.428 6.392 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.694 5.166 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.125 5.261 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.379 7.703 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.483 7.259 5.651 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.886 7.251 8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.440 9.409 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.530 10.747 6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.282 8.975 8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.132 10.503 7.770 1.00 0.00 H new ATOM 669 N LYS A 46 -8.782 4.602 9.135 1.00 0.00 N ATOM 670 CA LYS A 46 -7.948 4.222 10.269 1.00 0.00 C ATOM 671 C LYS A 46 -6.482 4.543 9.999 1.00 0.00 C ATOM 672 O LYS A 46 -5.926 4.138 8.979 1.00 0.00 O ATOM 673 CB LYS A 46 -8.108 2.729 10.568 1.00 0.00 C ATOM 674 CG LYS A 46 -9.509 2.344 11.012 1.00 0.00 C ATOM 675 CD LYS A 46 -9.782 2.787 12.439 1.00 0.00 C ATOM 676 CE LYS A 46 -9.263 1.772 13.447 1.00 0.00 C ATOM 677 NZ LYS A 46 -9.818 2.009 14.808 1.00 0.00 N ATOM 0 H LYS A 46 -8.324 4.516 8.228 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.273 4.797 11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.849 2.159 9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.399 2.445 11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.241 2.796 10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.632 1.264 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.310 3.753 12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.854 2.925 12.579 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.525 0.767 13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.175 1.821 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.441 1.297 15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.547 2.959 15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.855 1.937 14.777 1.00 0.00 H new ATOM 691 N ALA A 47 -5.861 5.272 10.921 1.00 0.00 N ATOM 692 CA ALA A 47 -4.459 5.644 10.783 1.00 0.00 C ATOM 693 C ALA A 47 -3.562 4.411 10.776 1.00 0.00 C ATOM 694 O ALA A 47 -3.424 3.726 11.790 1.00 0.00 O ATOM 695 CB ALA A 47 -4.051 6.589 11.904 1.00 0.00 C ATOM 0 H ALA A 47 -6.307 5.616 11.771 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.337 6.156 9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.001 6.859 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.664 7.489 11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.195 6.097 12.866 1.00 0.00 H new ATOM 701 N ILE A 48 -2.955 4.133 9.627 1.00 0.00 N ATOM 702 CA ILE A 48 -2.072 2.982 9.489 1.00 0.00 C ATOM 703 C ILE A 48 -0.763 3.200 10.241 1.00 0.00 C ATOM 704 O ILE A 48 -0.261 4.321 10.322 1.00 0.00 O ATOM 705 CB ILE A 48 -1.757 2.688 8.010 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.048 2.416 7.235 1.00 0.00 C ATOM 707 CG2 ILE A 48 -0.805 1.507 7.896 1.00 0.00 C ATOM 708 CD1 ILE A 48 -2.859 2.392 5.735 1.00 0.00 C ATOM 0 H ILE A 48 -3.059 4.689 8.778 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.597 2.128 9.917 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.273 3.563 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.460 1.460 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.782 3.181 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.592 1.312 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.124 1.737 8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.264 0.625 8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.815 2.194 5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.476 3.356 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.149 1.608 5.470 1.00 0.00 H new ATOM 720 N ARG A 49 -0.216 2.120 10.790 1.00 0.00 N ATOM 721 CA ARG A 49 1.035 2.193 11.536 1.00 0.00 C ATOM 722 C ARG A 49 2.098 1.301 10.902 1.00 0.00 C ATOM 723 O ARG A 49 1.877 0.108 10.689 1.00 0.00 O ATOM 724 CB ARG A 49 0.809 1.782 12.992 1.00 0.00 C ATOM 725 CG ARG A 49 0.158 2.864 13.837 1.00 0.00 C ATOM 726 CD ARG A 49 0.360 2.608 15.322 1.00 0.00 C ATOM 727 NE ARG A 49 -0.616 3.324 16.138 1.00 0.00 N ATOM 728 CZ ARG A 49 -1.915 3.043 16.147 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.389 2.066 15.387 1.00 0.00 N ATOM 730 NH2 ARG A 49 -2.741 3.739 16.917 1.00 0.00 N ATOM 0 H ARG A 49 -0.619 1.185 10.732 1.00 0.00 H new ATOM 0 HA ARG A 49 1.387 3.224 11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.184 0.889 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.767 1.512 13.437 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.578 3.835 13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.908 2.907 13.616 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.283 1.539 15.519 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.366 2.913 15.609 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.283 4.082 16.734 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.757 1.529 14.794 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.386 1.852 15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.380 4.491 17.503 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.738 3.522 16.923 1.00 0.00 H new ATOM 744 N LYS A 50 3.253 1.886 10.604 1.00 0.00 N ATOM 745 CA LYS A 50 4.352 1.145 9.995 1.00 0.00 C ATOM 746 C LYS A 50 4.757 -0.040 10.866 1.00 0.00 C ATOM 747 O LYS A 50 5.283 0.136 11.965 1.00 0.00 O ATOM 748 CB LYS A 50 5.555 2.066 9.777 1.00 0.00 C ATOM 749 CG LYS A 50 6.733 1.378 9.109 1.00 0.00 C ATOM 750 CD LYS A 50 7.860 2.356 8.821 1.00 0.00 C ATOM 751 CE LYS A 50 8.821 2.460 9.996 1.00 0.00 C ATOM 752 NZ LYS A 50 8.395 3.503 10.970 1.00 0.00 N ATOM 0 H LYS A 50 3.453 2.872 10.774 1.00 0.00 H new ATOM 0 HA LYS A 50 4.012 0.766 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.247 2.915 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.876 2.465 10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.100 0.577 9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.405 0.915 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.403 2.035 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.443 3.339 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.884 1.496 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.820 2.693 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.233 3.905 11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.882 4.257 10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.772 3.076 11.685 1.00 0.00 H new ATOM 766 N SER A 51 4.509 -1.247 10.367 1.00 0.00 N ATOM 767 CA SER A 51 4.846 -2.461 11.101 1.00 0.00 C ATOM 768 C SER A 51 5.165 -3.604 10.142 1.00 0.00 C ATOM 769 O SER A 51 4.906 -3.512 8.942 1.00 0.00 O ATOM 770 CB SER A 51 3.694 -2.861 12.024 1.00 0.00 C ATOM 771 OG SER A 51 4.109 -3.835 12.966 1.00 0.00 O ATOM 0 H SER A 51 4.076 -1.410 9.458 1.00 0.00 H new ATOM 0 HA SER A 51 5.731 -2.258 11.704 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.321 -1.981 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.868 -3.253 11.431 1.00 0.00 H new ATOM 0 HG SER A 51 3.355 -4.072 13.545 1.00 0.00 H new ATOM 777 N GLN A 52 5.727 -4.681 10.681 1.00 0.00 N ATOM 778 CA GLN A 52 6.082 -5.842 9.874 1.00 0.00 C ATOM 779 C GLN A 52 5.065 -6.061 8.759 1.00 0.00 C ATOM 780 O GLN A 52 5.419 -6.472 7.653 1.00 0.00 O ATOM 781 CB GLN A 52 6.171 -7.092 10.752 1.00 0.00 C ATOM 782 CG GLN A 52 6.712 -8.311 10.022 1.00 0.00 C ATOM 783 CD GLN A 52 6.755 -9.546 10.900 1.00 0.00 C ATOM 784 OE1 GLN A 52 7.333 -9.529 11.987 1.00 0.00 O ATOM 785 NE2 GLN A 52 6.141 -10.627 10.432 1.00 0.00 N ATOM 0 H GLN A 52 5.946 -4.774 11.673 1.00 0.00 H new ATOM 0 HA GLN A 52 7.056 -5.654 9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.810 -6.879 11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.180 -7.323 11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.091 -8.512 9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.716 -8.095 9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.674 -10.596 9.526 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.136 -11.488 10.979 1.00 0.00 H new ATOM 794 N LYS A 53 3.800 -5.785 9.056 1.00 0.00 N ATOM 795 CA LYS A 53 2.730 -5.950 8.079 1.00 0.00 C ATOM 796 C LYS A 53 2.741 -4.812 7.063 1.00 0.00 C ATOM 797 O LYS A 53 2.829 -5.044 5.857 1.00 0.00 O ATOM 798 CB LYS A 53 1.373 -6.007 8.783 1.00 0.00 C ATOM 799 CG LYS A 53 0.206 -5.631 7.886 1.00 0.00 C ATOM 800 CD LYS A 53 -0.030 -6.678 6.810 1.00 0.00 C ATOM 801 CE LYS A 53 -0.910 -7.810 7.318 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.355 -7.450 7.278 1.00 0.00 N ATOM 0 H LYS A 53 3.490 -5.446 9.967 1.00 0.00 H new ATOM 0 HA LYS A 53 2.897 -6.888 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.215 -7.014 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.391 -5.337 9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.695 -5.517 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.401 -4.666 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.499 -6.212 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.926 -7.081 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.741 -8.701 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.626 -8.060 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.897 -8.124 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.484 -6.489 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.694 -7.485 6.296 1.00 0.00 H new ATOM 816 N TYR A 54 2.651 -3.583 7.558 1.00 0.00 N ATOM 817 CA TYR A 54 2.649 -2.409 6.693 1.00 0.00 C ATOM 818 C TYR A 54 4.020 -1.740 6.680 1.00 0.00 C ATOM 819 O TYR A 54 4.449 -1.158 7.676 1.00 0.00 O ATOM 820 CB TYR A 54 1.586 -1.410 7.156 1.00 0.00 C ATOM 821 CG TYR A 54 0.176 -1.948 7.078 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.336 -2.442 5.884 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.646 -1.963 8.198 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.625 -2.934 5.808 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.936 -2.454 8.132 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.421 -2.938 6.935 1.00 0.00 C ATOM 827 OH TYR A 54 -3.704 -3.428 6.864 1.00 0.00 O ATOM 0 H TYR A 54 2.578 -3.374 8.554 1.00 0.00 H new ATOM 0 HA TYR A 54 2.414 -2.736 5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.798 -1.117 8.184 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.656 -0.509 6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.285 -2.441 5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.270 -1.584 9.137 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.007 -3.313 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.561 -2.459 9.013 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.129 -3.360 7.744 1.00 0.00 H new ATOM 837 N ASP A 55 4.702 -1.827 5.543 1.00 0.00 N ATOM 838 CA ASP A 55 6.024 -1.229 5.397 1.00 0.00 C ATOM 839 C ASP A 55 5.961 0.023 4.528 1.00 0.00 C ATOM 840 O ASP A 55 5.987 -0.059 3.299 1.00 0.00 O ATOM 841 CB ASP A 55 7.000 -2.238 4.790 1.00 0.00 C ATOM 842 CG ASP A 55 6.656 -3.668 5.157 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.089 -3.881 6.249 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.954 -4.575 4.352 1.00 0.00 O ATOM 0 H ASP A 55 4.361 -2.306 4.709 1.00 0.00 H new ATOM 0 HA ASP A 55 6.378 -0.944 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.998 -2.134 3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.011 -2.012 5.130 1.00 0.00 H new ATOM 849 N VAL A 56 5.878 1.182 5.173 1.00 0.00 N ATOM 850 CA VAL A 56 5.811 2.452 4.459 1.00 0.00 C ATOM 851 C VAL A 56 7.206 3.016 4.209 1.00 0.00 C ATOM 852 O VAL A 56 7.958 3.278 5.148 1.00 0.00 O ATOM 853 CB VAL A 56 4.981 3.490 5.237 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.348 3.470 6.713 1.00 0.00 C ATOM 855 CG2 VAL A 56 5.180 4.879 4.648 1.00 0.00 C ATOM 0 H VAL A 56 5.856 1.268 6.189 1.00 0.00 H new ATOM 0 HA VAL A 56 5.326 2.253 3.503 1.00 0.00 H new ATOM 0 HB VAL A 56 3.927 3.229 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.751 4.210 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.150 2.480 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.406 3.706 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.587 5.601 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.234 5.152 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.862 4.881 3.605 1.00 0.00 H new ATOM 865 N VAL A 57 7.544 3.201 2.937 1.00 0.00 N ATOM 866 CA VAL A 57 8.848 3.735 2.563 1.00 0.00 C ATOM 867 C VAL A 57 8.729 5.166 2.050 1.00 0.00 C ATOM 868 O VAL A 57 7.823 5.486 1.279 1.00 0.00 O ATOM 869 CB VAL A 57 9.521 2.869 1.483 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.901 3.412 1.145 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.606 1.420 1.939 1.00 0.00 C ATOM 0 H VAL A 57 6.933 2.989 2.148 1.00 0.00 H new ATOM 0 HA VAL A 57 9.464 3.724 3.462 1.00 0.00 H new ATOM 0 HB VAL A 57 8.912 2.907 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.361 2.786 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.809 4.432 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.523 3.407 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.084 0.822 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.192 1.361 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.602 1.038 2.125 1.00 0.00 H new ATOM 914 N THR A 61 10.849 12.187 -3.129 1.00 0.00 N ATOM 915 CA THR A 61 9.525 12.415 -3.692 1.00 0.00 C ATOM 916 C THR A 61 8.901 11.111 -4.177 1.00 0.00 C ATOM 917 O THR A 61 8.330 11.053 -5.266 1.00 0.00 O ATOM 918 CB THR A 61 9.577 13.413 -4.864 1.00 0.00 C ATOM 919 OG1 THR A 61 10.462 12.929 -5.881 1.00 0.00 O ATOM 920 CG2 THR A 61 10.042 14.782 -4.389 1.00 0.00 C ATOM 0 HA THR A 61 8.911 12.834 -2.895 1.00 0.00 H new ATOM 0 HB THR A 61 8.572 13.510 -5.274 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.147 12.358 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.071 15.470 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.350 15.160 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.039 14.698 -3.956 1.00 0.00 H new ATOM 928 N MET A 62 9.014 10.068 -3.362 1.00 0.00 N ATOM 929 CA MET A 62 8.459 8.765 -3.709 1.00 0.00 C ATOM 930 C MET A 62 8.121 7.966 -2.454 1.00 0.00 C ATOM 931 O MET A 62 9.011 7.556 -1.709 1.00 0.00 O ATOM 932 CB MET A 62 9.445 7.980 -4.576 1.00 0.00 C ATOM 933 CG MET A 62 9.141 6.493 -4.650 1.00 0.00 C ATOM 934 SD MET A 62 9.997 5.544 -3.378 1.00 0.00 S ATOM 935 CE MET A 62 8.625 4.675 -2.623 1.00 0.00 C ATOM 0 H MET A 62 9.484 10.099 -2.457 1.00 0.00 H new ATOM 0 HA MET A 62 7.541 8.929 -4.273 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.439 8.394 -5.584 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.452 8.117 -4.181 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.066 6.341 -4.550 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.426 6.116 -5.632 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.450 5.071 -1.623 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.730 4.812 -3.230 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.860 3.613 -2.556 1.00 0.00 H new ATOM 945 N ALA A 63 6.830 7.750 -2.225 1.00 0.00 N ATOM 946 CA ALA A 63 6.376 6.999 -1.061 1.00 0.00 C ATOM 947 C ALA A 63 5.719 5.687 -1.476 1.00 0.00 C ATOM 948 O ALA A 63 5.040 5.619 -2.500 1.00 0.00 O ATOM 949 CB ALA A 63 5.410 7.838 -0.237 1.00 0.00 C ATOM 0 H ALA A 63 6.080 8.084 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 63 7.247 6.761 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.078 7.265 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.911 8.746 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.547 8.104 -0.848 1.00 0.00 H new ATOM 955 N MET A 64 5.927 4.647 -0.674 1.00 0.00 N ATOM 956 CA MET A 64 5.354 3.337 -0.959 1.00 0.00 C ATOM 957 C MET A 64 4.859 2.670 0.320 1.00 0.00 C ATOM 958 O MET A 64 5.298 3.010 1.420 1.00 0.00 O ATOM 959 CB MET A 64 6.388 2.443 -1.647 1.00 0.00 C ATOM 960 CG MET A 64 5.862 1.060 -1.993 1.00 0.00 C ATOM 961 SD MET A 64 7.062 0.067 -2.901 1.00 0.00 S ATOM 962 CE MET A 64 8.277 -0.248 -1.623 1.00 0.00 C ATOM 0 H MET A 64 6.488 4.686 0.177 1.00 0.00 H new ATOM 0 HA MET A 64 4.504 3.478 -1.627 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.729 2.932 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.257 2.340 -0.997 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.587 0.540 -1.075 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.954 1.159 -2.588 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.969 -1.019 -1.961 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.829 0.668 -1.412 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.773 -0.585 -0.717 1.00 0.00 H new ATOM 972 N LEU A 65 3.943 1.720 0.170 1.00 0.00 N ATOM 973 CA LEU A 65 3.387 1.006 1.315 1.00 0.00 C ATOM 974 C LEU A 65 3.213 -0.476 0.999 1.00 0.00 C ATOM 975 O LEU A 65 2.392 -0.852 0.162 1.00 0.00 O ATOM 976 CB LEU A 65 2.043 1.614 1.718 1.00 0.00 C ATOM 977 CG LEU A 65 1.263 0.864 2.798 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.711 1.303 4.183 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.233 1.083 2.625 1.00 0.00 C ATOM 0 H LEU A 65 3.569 1.426 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 65 4.086 1.103 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.217 2.632 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.417 1.683 0.828 1.00 0.00 H new ATOM 0 HG LEU A 65 1.469 -0.201 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.145 0.758 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.774 1.093 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.536 2.373 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.772 0.542 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.456 2.147 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.543 0.717 1.646 1.00 0.00 H new ATOM 991 N VAL A 66 3.991 -1.316 1.676 1.00 0.00 N ATOM 992 CA VAL A 66 3.920 -2.757 1.471 1.00 0.00 C ATOM 993 C VAL A 66 2.851 -3.387 2.356 1.00 0.00 C ATOM 994 O VAL A 66 2.601 -2.925 3.469 1.00 0.00 O ATOM 995 CB VAL A 66 5.274 -3.432 1.761 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.189 -4.930 1.508 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.374 -2.803 0.920 1.00 0.00 C ATOM 0 H VAL A 66 4.677 -1.022 2.371 1.00 0.00 H new ATOM 0 HA VAL A 66 3.660 -2.915 0.424 1.00 0.00 H new ATOM 0 HB VAL A 66 5.519 -3.278 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.155 -5.390 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.430 -5.366 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.921 -5.108 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.323 -3.292 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.138 -2.924 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.450 -1.742 1.156 1.00 0.00 H new ATOM 1007 N ILE A 67 2.223 -4.445 1.854 1.00 0.00 N ATOM 1008 CA ILE A 67 1.181 -5.139 2.600 1.00 0.00 C ATOM 1009 C ILE A 67 1.436 -6.643 2.631 1.00 0.00 C ATOM 1010 O ILE A 67 0.963 -7.380 1.766 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.212 -4.879 1.997 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.511 -3.378 1.979 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.278 -5.627 2.784 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.418 -2.957 0.843 1.00 0.00 C ATOM 0 H ILE A 67 2.418 -4.840 0.934 1.00 0.00 H new ATOM 0 HA ILE A 67 1.207 -4.747 3.617 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.222 -5.245 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.972 -3.096 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.428 -2.829 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.257 -5.433 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.071 -6.697 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.271 -5.288 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.587 -1.881 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.949 -3.208 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.372 -3.478 0.926 1.00 0.00 H new ATOM 1026 N ARG A 68 2.185 -7.090 3.634 1.00 0.00 N ATOM 1027 CA ARG A 68 2.502 -8.505 3.778 1.00 0.00 C ATOM 1028 C ARG A 68 1.232 -9.332 3.957 1.00 0.00 C ATOM 1029 O ARG A 68 0.332 -8.952 4.705 1.00 0.00 O ATOM 1030 CB ARG A 68 3.436 -8.722 4.970 1.00 0.00 C ATOM 1031 CG ARG A 68 4.884 -8.357 4.683 1.00 0.00 C ATOM 1032 CD ARG A 68 5.588 -9.450 3.895 1.00 0.00 C ATOM 1033 NE ARG A 68 5.585 -10.726 4.606 1.00 0.00 N ATOM 1034 CZ ARG A 68 6.111 -11.842 4.114 1.00 0.00 C ATOM 1035 NH1 ARG A 68 6.680 -11.839 2.917 1.00 0.00 N ATOM 1036 NH2 ARG A 68 6.070 -12.964 4.822 1.00 0.00 N ATOM 0 H ARG A 68 2.583 -6.492 4.358 1.00 0.00 H new ATOM 0 HA ARG A 68 3.003 -8.833 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.080 -8.128 5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.387 -9.768 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.921 -7.422 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.411 -8.187 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.099 -9.572 2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.616 -9.148 3.696 1.00 0.00 H new ATOM 0 HE ARG A 68 5.156 -10.762 5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.715 -10.978 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.083 -12.698 2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.634 -12.969 5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.474 -13.821 4.444 1.00 0.00 H new ATOM 1050 N GLY A 69 1.166 -10.464 3.263 1.00 0.00 N ATOM 1051 CA GLY A 69 0.002 -11.326 3.359 1.00 0.00 C ATOM 1052 C GLY A 69 -1.298 -10.567 3.178 1.00 0.00 C ATOM 1053 O GLY A 69 -1.993 -10.274 4.150 1.00 0.00 O ATOM 0 H GLY A 69 1.897 -10.800 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.070 -12.109 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.001 -11.820 4.331 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.626 -10.248 1.930 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.851 -9.519 1.626 1.00 0.00 C ATOM 1059 C ALA A 70 -4.020 -10.475 1.412 1.00 0.00 C ATOM 1060 O ALA A 70 -4.154 -11.078 0.348 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.652 -8.643 0.398 1.00 0.00 C ATOM 0 H ALA A 70 -1.061 -10.483 1.114 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.087 -8.883 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.575 -8.104 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.850 -7.929 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.388 -9.268 -0.456 1.00 0.00 H new ATOM 1067 N SER A 71 -4.863 -10.608 2.431 1.00 0.00 N ATOM 1068 CA SER A 71 -6.018 -11.494 2.356 1.00 0.00 C ATOM 1069 C SER A 71 -7.266 -10.726 1.931 1.00 0.00 C ATOM 1070 O SER A 71 -7.245 -9.499 1.817 1.00 0.00 O ATOM 1071 CB SER A 71 -6.257 -12.171 3.707 1.00 0.00 C ATOM 1072 OG SER A 71 -5.147 -12.968 4.082 1.00 0.00 O ATOM 0 H SER A 71 -4.768 -10.113 3.318 1.00 0.00 H new ATOM 0 HA SER A 71 -5.810 -12.258 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.439 -11.414 4.470 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.152 -12.791 3.653 1.00 0.00 H new ATOM 0 HG SER A 71 -5.324 -13.388 4.949 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.352 -11.455 1.699 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.610 -10.843 1.287 1.00 0.00 C ATOM 1080 C LEU A 72 -9.931 -9.625 2.147 1.00 0.00 C ATOM 1081 O LEU A 72 -10.545 -8.666 1.679 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.749 -11.861 1.379 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.528 -13.184 0.645 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.425 -14.269 1.220 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.781 -13.015 -0.846 1.00 0.00 C ATOM 0 H LEU A 72 -8.387 -12.470 1.789 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.505 -10.516 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.931 -12.079 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.655 -11.399 0.988 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.490 -13.487 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.254 -15.203 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.196 -14.408 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.469 -13.974 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.619 -13.966 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.809 -12.689 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.097 -12.268 -1.249 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.509 -9.668 3.406 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.747 -8.567 4.331 1.00 0.00 C ATOM 1099 C LYS A 73 -8.880 -7.363 3.979 1.00 0.00 C ATOM 1100 O LYS A 73 -9.382 -6.250 3.817 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.463 -9.011 5.768 1.00 0.00 C ATOM 1102 CG LYS A 73 -9.978 -8.041 6.818 1.00 0.00 C ATOM 1103 CD LYS A 73 -11.495 -8.061 6.898 1.00 0.00 C ATOM 1104 CE LYS A 73 -12.010 -7.084 7.944 1.00 0.00 C ATOM 1105 NZ LYS A 73 -11.721 -7.549 9.328 1.00 0.00 N ATOM 0 H LYS A 73 -9.000 -10.454 3.809 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.794 -8.275 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.917 -9.988 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.387 -9.134 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.558 -8.299 7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.638 -7.033 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.915 -7.809 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.835 -9.068 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.551 -6.108 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.085 -6.955 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.161 -6.900 10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.107 -8.505 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.692 -7.567 9.481 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.577 -7.592 3.860 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.640 -6.526 3.524 1.00 0.00 C ATOM 1121 C ASP A 74 -7.248 -5.572 2.501 1.00 0.00 C ATOM 1122 O ASP A 74 -6.989 -4.369 2.530 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.338 -7.115 2.980 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.564 -7.882 4.034 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -5.148 -8.799 4.650 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.375 -7.565 4.244 1.00 0.00 O ATOM 0 H ASP A 74 -7.145 -8.507 3.991 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.423 -5.966 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.564 -7.778 2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.715 -6.311 2.589 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.056 -6.116 1.598 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.701 -5.313 0.567 1.00 0.00 C ATOM 1133 C ALA A 75 -9.521 -4.184 1.182 1.00 0.00 C ATOM 1134 O ALA A 75 -10.474 -4.428 1.922 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.582 -6.190 -0.311 1.00 0.00 C ATOM 0 H ALA A 75 -8.280 -7.110 1.559 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.922 -4.866 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.058 -5.577 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.972 -6.957 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.349 -6.665 0.302 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.143 -2.948 0.873 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.853 -1.800 1.406 1.00 0.00 C ATOM 1143 C GLY A 76 -9.473 -0.508 0.710 1.00 0.00 C ATOM 1144 O GLY A 76 -8.842 -0.528 -0.347 1.00 0.00 O ATOM 0 H GLY A 76 -8.358 -2.721 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.926 -1.961 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.643 -1.710 2.472 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.858 0.618 1.303 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.555 1.924 0.730 1.00 0.00 C ATOM 1150 C GLU A 77 -8.331 2.541 1.401 1.00 0.00 C ATOM 1151 O GLU A 77 -8.270 2.651 2.626 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.756 2.860 0.875 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.864 3.889 -0.237 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.985 4.884 -0.006 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -13.142 4.565 -0.350 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -11.704 5.981 0.520 1.00 0.00 O ATOM 0 H GLU A 77 -10.380 0.652 2.179 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.337 1.786 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.669 2.265 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.689 3.377 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.919 4.426 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.027 3.377 -1.185 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.358 2.942 0.590 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.134 3.545 1.104 1.00 0.00 C ATOM 1165 C TYR A 78 -6.068 5.028 0.752 1.00 0.00 C ATOM 1166 O TYR A 78 -5.762 5.396 -0.383 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.909 2.820 0.544 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.719 1.429 1.105 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.291 1.239 2.413 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -4.966 0.305 0.327 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.116 -0.030 2.930 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.794 -0.968 0.836 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.369 -1.130 2.138 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.195 -2.396 2.648 1.00 0.00 O ATOM 0 H TYR A 78 -7.393 2.860 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.139 3.448 2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.000 2.756 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.019 3.412 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.092 2.098 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.298 0.428 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.783 -0.160 3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.991 -1.831 0.218 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.417 -3.059 1.961 1.00 0.00 H new ATOM 1184 N THR A 79 -6.356 5.876 1.733 1.00 0.00 N ATOM 1185 CA THR A 79 -6.331 7.319 1.529 1.00 0.00 C ATOM 1186 C THR A 79 -4.946 7.890 1.812 1.00 0.00 C ATOM 1187 O THR A 79 -4.498 7.916 2.959 1.00 0.00 O ATOM 1188 CB THR A 79 -7.361 8.032 2.425 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.674 7.528 2.158 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.332 9.535 2.192 1.00 0.00 C ATOM 0 H THR A 79 -6.610 5.588 2.678 1.00 0.00 H new ATOM 0 HA THR A 79 -6.587 7.495 0.484 1.00 0.00 H new ATOM 0 HB THR A 79 -7.102 7.837 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.323 7.985 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.068 10.017 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.339 9.920 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.568 9.746 1.149 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.273 8.346 0.762 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.937 8.917 0.898 1.00 0.00 C ATOM 1200 C CYS A 80 -3.011 10.423 1.125 1.00 0.00 C ATOM 1201 O CYS A 80 -2.880 11.209 0.187 1.00 0.00 O ATOM 1202 CB CYS A 80 -2.102 8.617 -0.347 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.320 8.573 -0.048 1.00 0.00 S ATOM 0 H CYS A 80 -4.630 8.332 -0.193 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.460 8.460 1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.414 7.657 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.314 9.372 -1.104 1.00 0.00 H new ATOM 0 HG CYS A 80 0.300 8.310 -1.160 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.223 10.818 2.377 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.316 12.231 2.726 1.00 0.00 C ATOM 1211 C GLU A 81 -1.937 12.884 2.726 1.00 0.00 C ATOM 1212 O GLU A 81 -0.955 12.285 3.164 1.00 0.00 O ATOM 1213 CB GLU A 81 -3.972 12.398 4.098 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.762 13.688 4.243 1.00 0.00 C ATOM 1215 CD GLU A 81 -3.944 14.806 4.861 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -3.034 14.504 5.660 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -4.215 15.983 4.544 1.00 0.00 O ATOM 0 H GLU A 81 -3.333 10.180 3.165 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.932 12.725 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.636 11.553 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.200 12.367 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.119 14.003 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.642 13.504 4.859 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.872 14.116 2.232 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.614 14.851 2.175 1.00 0.00 C ATOM 1226 C VAL A 82 -0.787 16.276 2.687 1.00 0.00 C ATOM 1227 O VAL A 82 -1.883 16.676 3.080 1.00 0.00 O ATOM 1228 CB VAL A 82 -0.055 14.897 0.741 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.695 16.030 -0.046 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.459 15.043 0.764 1.00 0.00 C ATOM 0 H VAL A 82 -2.676 14.626 1.865 1.00 0.00 H new ATOM 0 HA VAL A 82 0.091 14.321 2.815 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.300 13.958 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.287 16.047 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.773 15.877 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.484 16.979 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.837 15.074 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.728 15.966 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.898 14.194 1.288 1.00 0.00 H new ATOM 1240 N GLU A 83 0.302 17.038 2.680 1.00 0.00 N ATOM 1241 CA GLU A 83 0.270 18.420 3.145 1.00 0.00 C ATOM 1242 C GLU A 83 -1.080 19.065 2.842 1.00 0.00 C ATOM 1243 O GLU A 83 -1.771 19.536 3.745 1.00 0.00 O ATOM 1244 CB GLU A 83 1.392 19.228 2.490 1.00 0.00 C ATOM 1245 CG GLU A 83 1.631 18.868 1.033 1.00 0.00 C ATOM 1246 CD GLU A 83 0.893 19.784 0.077 1.00 0.00 C ATOM 1247 OE1 GLU A 83 1.168 21.002 0.092 1.00 0.00 O ATOM 1248 OE2 GLU A 83 0.041 19.284 -0.687 1.00 0.00 O ATOM 0 H GLU A 83 1.217 16.722 2.358 1.00 0.00 H new ATOM 0 HA GLU A 83 0.417 18.416 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.152 20.289 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.314 19.073 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.699 18.914 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.316 17.839 0.861 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.448 19.081 1.565 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.714 19.666 1.143 1.00 0.00 C ATOM 1257 C ALA A 84 -3.496 18.701 0.258 1.00 0.00 C ATOM 1258 O ALA A 84 -4.714 18.577 0.383 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.472 20.978 0.411 1.00 0.00 C ATOM 0 H ALA A 84 -0.887 18.696 0.805 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.309 19.865 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.427 21.404 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.962 21.676 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.854 20.795 -0.468 1.00 0.00 H new ATOM 1265 N SER A 85 -2.788 18.021 -0.638 1.00 0.00 N ATOM 1266 CA SER A 85 -3.417 17.070 -1.548 1.00 0.00 C ATOM 1267 C SER A 85 -3.741 15.764 -0.829 1.00 0.00 C ATOM 1268 O SER A 85 -3.526 15.634 0.376 1.00 0.00 O ATOM 1269 CB SER A 85 -2.502 16.794 -2.743 1.00 0.00 C ATOM 1270 OG SER A 85 -2.783 17.678 -3.815 1.00 0.00 O ATOM 0 H SER A 85 -1.779 18.111 -0.754 1.00 0.00 H new ATOM 0 HA SER A 85 -4.348 17.508 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.461 16.903 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.631 15.763 -3.074 1.00 0.00 H new ATOM 0 HG SER A 85 -2.435 17.301 -4.650 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.262 14.798 -1.578 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.616 13.500 -1.016 1.00 0.00 C ATOM 1278 C LYS A 86 -5.098 12.548 -2.106 1.00 0.00 C ATOM 1279 O LYS A 86 -5.696 12.972 -3.094 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.702 13.663 0.051 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.364 12.355 0.449 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.736 12.588 1.059 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.828 12.562 0.002 1.00 0.00 C ATOM 1284 NZ LYS A 86 -10.045 13.299 0.443 1.00 0.00 N ATOM 0 H LYS A 86 -4.449 14.890 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.724 13.075 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.263 14.123 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.464 14.348 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.458 11.713 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.731 11.829 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.936 11.823 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.748 13.549 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.451 13.003 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.091 11.528 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.766 13.258 -0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.420 12.863 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.800 14.292 0.633 1.00 0.00 H new ATOM 1298 N SER A 87 -4.833 11.259 -1.918 1.00 0.00 N ATOM 1299 CA SER A 87 -5.238 10.247 -2.887 1.00 0.00 C ATOM 1300 C SER A 87 -6.109 9.181 -2.228 1.00 0.00 C ATOM 1301 O SER A 87 -6.079 9.004 -1.009 1.00 0.00 O ATOM 1302 CB SER A 87 -4.007 9.596 -3.520 1.00 0.00 C ATOM 1303 OG SER A 87 -4.361 8.845 -4.669 1.00 0.00 O ATOM 0 H SER A 87 -4.340 10.891 -1.104 1.00 0.00 H new ATOM 0 HA SER A 87 -5.822 10.738 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.285 10.365 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.521 8.946 -2.792 1.00 0.00 H new ATOM 0 HG SER A 87 -4.565 7.923 -4.407 1.00 0.00 H new ATOM 1309 N THR A 88 -6.884 8.472 -3.042 1.00 0.00 N ATOM 1310 CA THR A 88 -7.764 7.425 -2.540 1.00 0.00 C ATOM 1311 C THR A 88 -7.893 6.286 -3.546 1.00 0.00 C ATOM 1312 O THR A 88 -8.204 6.510 -4.715 1.00 0.00 O ATOM 1313 CB THR A 88 -9.167 7.974 -2.222 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.069 9.062 -1.296 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.056 6.886 -1.640 1.00 0.00 C ATOM 0 H THR A 88 -6.920 8.604 -4.053 1.00 0.00 H new ATOM 0 HA THR A 88 -7.313 7.047 -1.622 1.00 0.00 H new ATOM 0 HB THR A 88 -9.613 8.327 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.965 9.407 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.042 7.298 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.153 6.072 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.612 6.506 -0.720 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.652 5.064 -3.082 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.744 3.890 -3.941 1.00 0.00 C ATOM 1325 C ALA A 89 -8.549 2.782 -3.272 1.00 0.00 C ATOM 1326 O ALA A 89 -9.064 2.956 -2.167 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.353 3.389 -4.302 1.00 0.00 C ATOM 0 H ALA A 89 -7.392 4.862 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.263 4.180 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.437 2.512 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.809 4.173 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.815 3.123 -3.392 1.00 0.00 H new ATOM 1333 N SER A 90 -8.655 1.642 -3.948 1.00 0.00 N ATOM 1334 CA SER A 90 -9.403 0.507 -3.420 1.00 0.00 C ATOM 1335 C SER A 90 -8.753 -0.811 -3.832 1.00 0.00 C ATOM 1336 O SER A 90 -8.836 -1.222 -4.990 1.00 0.00 O ATOM 1337 CB SER A 90 -10.851 0.549 -3.912 1.00 0.00 C ATOM 1338 OG SER A 90 -11.595 1.538 -3.221 1.00 0.00 O ATOM 0 H SER A 90 -8.232 1.480 -4.862 1.00 0.00 H new ATOM 0 HA SER A 90 -9.394 0.573 -2.332 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.869 0.757 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.316 -0.427 -3.769 1.00 0.00 H new ATOM 0 HG SER A 90 -12.517 1.547 -3.554 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.105 -1.468 -2.876 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.440 -2.739 -3.137 1.00 0.00 C ATOM 1346 C LEU A 91 -8.459 -3.855 -3.343 1.00 0.00 C ATOM 1347 O LEU A 91 -9.517 -3.868 -2.713 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.504 -3.095 -1.981 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.010 -4.541 -1.938 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.064 -4.817 -3.096 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.327 -4.832 -0.609 1.00 0.00 C ATOM 0 H LEU A 91 -8.026 -1.141 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.855 -2.633 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.636 -2.437 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.018 -2.880 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.872 -5.202 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.723 -5.851 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.585 -4.649 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.205 -4.148 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.982 -5.866 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.475 -4.163 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.034 -4.675 0.206 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.133 -4.793 -4.227 1.00 0.00 N ATOM 1364 CA HIS A 92 -9.019 -5.915 -4.513 1.00 0.00 C ATOM 1365 C HIS A 92 -8.284 -7.242 -4.354 1.00 0.00 C ATOM 1366 O HIS A 92 -7.226 -7.453 -4.948 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.584 -5.798 -5.929 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.331 -4.523 -6.173 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.647 -4.340 -5.805 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.938 -3.363 -6.749 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -12.032 -3.123 -6.147 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -11.013 -2.509 -6.721 1.00 0.00 N ATOM 0 H HIS A 92 -7.262 -4.798 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.842 -5.888 -3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.766 -5.873 -6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.249 -6.641 -6.117 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.960 -3.149 -7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -13.013 -2.702 -5.985 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.023 -1.556 -7.084 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.850 -8.134 -3.548 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.249 -9.441 -3.311 1.00 0.00 C ATOM 1383 C VAL A 93 -9.269 -10.558 -3.498 1.00 0.00 C ATOM 1384 O VAL A 93 -10.231 -10.667 -2.738 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.654 -9.537 -1.893 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.138 -10.942 -1.624 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.547 -8.509 -1.710 1.00 0.00 C ATOM 0 H VAL A 93 -9.725 -7.975 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.449 -9.558 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.442 -9.322 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.722 -10.990 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.959 -11.654 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.363 -11.190 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.138 -8.590 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.757 -8.691 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.952 -7.508 -1.857 1.00 0.00 H new ATOM 1397 N GLU A 94 -9.052 -11.386 -4.516 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.954 -12.495 -4.803 1.00 0.00 C ATOM 1399 C GLU A 94 -9.181 -13.803 -4.945 1.00 0.00 C ATOM 1400 O GLU A 94 -8.078 -13.827 -5.490 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.748 -12.218 -6.081 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.744 -11.079 -5.944 1.00 0.00 C ATOM 1403 CD GLU A 94 -11.984 -10.353 -7.254 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.554 -10.971 -8.178 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -11.603 -9.168 -7.355 1.00 0.00 O ATOM 0 H GLU A 94 -8.260 -11.309 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.647 -12.592 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.053 -11.986 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.282 -13.123 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.690 -11.472 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.379 -10.370 -5.201 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.768 -14.888 -4.450 1.00 0.00 N ATOM 1413 CA GLU A 95 -9.133 -16.199 -4.520 1.00 0.00 C ATOM 1414 C GLU A 95 -9.298 -16.809 -5.909 1.00 0.00 C ATOM 1415 O GLU A 95 -10.114 -16.351 -6.709 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.727 -17.135 -3.466 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.777 -18.237 -3.026 1.00 0.00 C ATOM 1418 CD GLU A 95 -9.244 -18.941 -1.767 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.237 -18.302 -0.693 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -9.616 -20.129 -1.854 1.00 0.00 O ATOM 0 H GLU A 95 -10.682 -14.885 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.069 -16.070 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.019 -16.549 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.635 -17.587 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.676 -18.967 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.788 -17.812 -2.855 1.00 0.00 H new