USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 566 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 10 GLN : amide:sc= -2.48! C(o=-2.3!,f=-1.9!) USER MOD Set 1.2: A 54 THR OG1 : rot 170:sc= 0.14 USER MOD Single : A 8 GLN : amide:sc=-0.00537 X(o=-0.0054,f=0) USER MOD Single : A 9 MET CE :methyl -126:sc= -0.264 (180deg=-0.645) USER MOD Single : A 16 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.29) USER MOD Single : A 19 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.0234 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= -8.03! C(o=-8!,f=-8.8!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.145 (180deg=-0.775) USER MOD Single : A 40 MET CE :methyl -135:sc= -1.03 (180deg=-3.52!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 47:sc= 0.0926 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -45:sc= 0.783 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= -0.519 (180deg=-2.46!) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 6 11.655 3.218 1.618 1.00 0.00 N ATOM 75 CA VAL A 6 12.112 4.597 1.738 1.00 0.00 C ATOM 76 C VAL A 6 11.016 5.492 2.306 1.00 0.00 C ATOM 77 O VAL A 6 9.856 5.404 1.900 1.00 0.00 O ATOM 78 CB VAL A 6 12.564 5.159 0.377 1.00 0.00 C ATOM 79 CG1 VAL A 6 13.748 4.369 -0.160 1.00 0.00 C ATOM 80 CG2 VAL A 6 11.410 5.146 -0.614 1.00 0.00 C ATOM 0 HA VAL A 6 12.962 4.590 2.421 1.00 0.00 H new ATOM 0 HB VAL A 6 12.881 6.192 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.054 4.780 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.578 4.435 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.462 3.325 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.747 5.546 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.060 4.123 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.595 5.759 -0.231 1.00 0.00 H new ATOM 90 N ILE A 7 11.390 6.353 3.246 1.00 0.00 N ATOM 91 CA ILE A 7 10.439 7.265 3.869 1.00 0.00 C ATOM 92 C ILE A 7 11.123 8.554 4.311 1.00 0.00 C ATOM 93 O ILE A 7 12.193 8.524 4.917 1.00 0.00 O ATOM 94 CB ILE A 7 9.752 6.618 5.086 1.00 0.00 C ATOM 95 CG1 ILE A 7 10.793 6.223 6.136 1.00 0.00 C ATOM 96 CG2 ILE A 7 8.941 5.406 4.654 1.00 0.00 C ATOM 97 CD1 ILE A 7 10.855 7.173 7.312 1.00 0.00 C ATOM 0 H ILE A 7 12.345 6.438 3.593 1.00 0.00 H new ATOM 0 HA ILE A 7 9.684 7.496 3.117 1.00 0.00 H new ATOM 0 HB ILE A 7 9.073 7.345 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.568 5.221 6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.774 6.177 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.462 4.960 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.179 5.714 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.601 4.674 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.614 6.831 8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.111 8.172 6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.885 7.201 7.809 1.00 0.00 H new ATOM 109 N GLN A 8 10.496 9.685 4.004 1.00 0.00 N ATOM 110 CA GLN A 8 11.044 10.986 4.372 1.00 0.00 C ATOM 111 C GLN A 8 10.732 11.316 5.828 1.00 0.00 C ATOM 112 O GLN A 8 9.571 11.345 6.233 1.00 0.00 O ATOM 113 CB GLN A 8 10.482 12.076 3.458 1.00 0.00 C ATOM 114 CG GLN A 8 8.968 12.199 3.516 1.00 0.00 C ATOM 115 CD GLN A 8 8.360 12.568 2.177 1.00 0.00 C ATOM 116 OE1 GLN A 8 7.861 13.679 1.995 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.399 11.637 1.231 1.00 0.00 N ATOM 0 H GLN A 8 9.609 9.727 3.502 1.00 0.00 H new ATOM 0 HA GLN A 8 12.127 10.943 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.926 13.033 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.782 11.868 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.543 11.254 3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.697 12.954 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.822 10.730 1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.006 11.829 0.310 1.00 0.00 H new ATOM 126 N MET A 9 11.778 11.564 6.610 1.00 0.00 N ATOM 127 CA MET A 9 11.615 11.893 8.021 1.00 0.00 C ATOM 128 C MET A 9 11.955 13.357 8.281 1.00 0.00 C ATOM 129 O MET A 9 12.608 14.006 7.463 1.00 0.00 O ATOM 130 CB MET A 9 12.502 10.991 8.882 1.00 0.00 C ATOM 131 CG MET A 9 11.902 10.668 10.241 1.00 0.00 C ATOM 132 SD MET A 9 10.438 9.621 10.122 1.00 0.00 S ATOM 133 CE MET A 9 11.051 8.100 10.843 1.00 0.00 C ATOM 0 H MET A 9 12.746 11.543 6.290 1.00 0.00 H new ATOM 0 HA MET A 9 10.571 11.728 8.289 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.689 10.061 8.346 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.468 11.475 9.026 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.652 10.170 10.856 1.00 0.00 H new ATOM 0 HG3 MET A 9 11.640 11.596 10.748 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.882 7.275 10.151 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.119 8.195 11.040 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.526 7.903 11.778 1.00 0.00 H new ATOM 143 N GLN A 10 11.508 13.870 9.422 1.00 0.00 N ATOM 144 CA GLN A 10 11.765 15.259 9.787 1.00 0.00 C ATOM 145 C GLN A 10 12.851 15.349 10.855 1.00 0.00 C ATOM 146 O GLN A 10 12.641 14.958 12.002 1.00 0.00 O ATOM 147 CB GLN A 10 10.482 15.921 10.291 1.00 0.00 C ATOM 148 CG GLN A 10 9.290 15.717 9.370 1.00 0.00 C ATOM 149 CD GLN A 10 9.356 16.585 8.129 1.00 0.00 C ATOM 150 OE1 GLN A 10 9.023 17.770 8.167 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.789 15.998 7.019 1.00 0.00 N ATOM 0 H GLN A 10 10.967 13.346 10.110 1.00 0.00 H new ATOM 0 HA GLN A 10 12.111 15.784 8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.241 15.524 11.277 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.658 16.990 10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.240 14.669 9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.372 15.938 9.915 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.055 15.013 7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.856 16.532 6.153 1.00 0.00 H new ATOM 160 N GLY A 11 14.013 15.867 10.468 1.00 0.00 N ATOM 161 CA GLY A 11 15.115 15.998 11.403 1.00 0.00 C ATOM 162 C GLY A 11 15.715 17.390 11.400 1.00 0.00 C ATOM 163 O GLY A 11 15.262 18.266 10.664 1.00 0.00 O ATOM 0 H GLY A 11 14.211 16.198 9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.766 15.758 12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.888 15.272 11.153 1.00 0.00 H new ATOM 167 N GLU A 12 16.736 17.595 12.226 1.00 0.00 N ATOM 168 CA GLU A 12 17.396 18.892 12.317 1.00 0.00 C ATOM 169 C GLU A 12 18.904 18.748 12.133 1.00 0.00 C ATOM 170 O GLU A 12 19.519 17.817 12.654 1.00 0.00 O ATOM 171 CB GLU A 12 17.096 19.548 13.666 1.00 0.00 C ATOM 172 CG GLU A 12 18.051 20.676 14.019 1.00 0.00 C ATOM 173 CD GLU A 12 17.658 21.394 15.296 1.00 0.00 C ATOM 174 OE1 GLU A 12 16.484 21.807 15.406 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.524 21.545 16.183 1.00 0.00 O ATOM 0 H GLU A 12 17.124 16.880 12.841 1.00 0.00 H new ATOM 0 HA GLU A 12 17.008 19.526 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.077 19.936 13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.139 18.789 14.447 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.058 20.274 14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.081 21.392 13.198 1.00 0.00 H new ATOM 182 N VAL A 13 19.495 19.677 11.387 1.00 0.00 N ATOM 183 CA VAL A 13 20.930 19.655 11.134 1.00 0.00 C ATOM 184 C VAL A 13 21.719 19.748 12.435 1.00 0.00 C ATOM 185 O VAL A 13 21.391 20.544 13.316 1.00 0.00 O ATOM 186 CB VAL A 13 21.354 20.810 10.206 1.00 0.00 C ATOM 187 CG1 VAL A 13 22.869 20.863 10.077 1.00 0.00 C ATOM 188 CG2 VAL A 13 20.699 20.663 8.841 1.00 0.00 C ATOM 0 H VAL A 13 19.001 20.454 10.948 1.00 0.00 H new ATOM 0 HA VAL A 13 21.151 18.706 10.646 1.00 0.00 H new ATOM 0 HB VAL A 13 21.018 21.749 10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.150 21.685 9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.313 21.019 11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.232 19.923 9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.009 21.487 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.003 19.718 8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.615 20.679 8.954 1.00 0.00 H new ATOM 198 N ILE A 14 22.761 18.931 12.549 1.00 0.00 N ATOM 199 CA ILE A 14 23.597 18.922 13.742 1.00 0.00 C ATOM 200 C ILE A 14 24.989 19.468 13.442 1.00 0.00 C ATOM 201 O ILE A 14 25.635 20.058 14.308 1.00 0.00 O ATOM 202 CB ILE A 14 23.731 17.503 14.326 1.00 0.00 C ATOM 203 CG1 ILE A 14 24.644 17.516 15.553 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.265 16.544 13.271 1.00 0.00 C ATOM 205 CD1 ILE A 14 24.156 18.425 16.659 1.00 0.00 C ATOM 0 H ILE A 14 23.046 18.267 11.829 1.00 0.00 H new ATOM 0 HA ILE A 14 23.107 19.563 14.475 1.00 0.00 H new ATOM 0 HB ILE A 14 22.744 17.159 14.635 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.733 16.501 15.940 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.643 17.830 15.250 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.354 15.545 13.699 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.579 16.516 12.424 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.244 16.883 12.934 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.852 18.384 17.497 1.00 0.00 H new ATOM 0 HD12 ILE A 14 24.094 19.448 16.288 1.00 0.00 H new ATOM 0 HD13 ILE A 14 23.170 18.098 16.990 1.00 0.00 H new ATOM 217 N GLU A 15 25.443 19.270 12.208 1.00 0.00 N ATOM 218 CA GLU A 15 26.758 19.745 11.794 1.00 0.00 C ATOM 219 C GLU A 15 26.807 19.962 10.284 1.00 0.00 C ATOM 220 O GLU A 15 26.076 19.321 9.530 1.00 0.00 O ATOM 221 CB GLU A 15 27.840 18.747 12.212 1.00 0.00 C ATOM 222 CG GLU A 15 29.212 19.376 12.390 1.00 0.00 C ATOM 223 CD GLU A 15 29.251 20.377 13.529 1.00 0.00 C ATOM 224 OE1 GLU A 15 28.778 20.039 14.634 1.00 0.00 O ATOM 225 OE2 GLU A 15 29.756 21.499 13.314 1.00 0.00 O ATOM 0 H GLU A 15 24.920 18.785 11.479 1.00 0.00 H new ATOM 0 HA GLU A 15 26.944 20.699 12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.543 18.272 13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.905 17.959 11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.946 18.592 12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 15 29.503 19.873 11.464 1.00 0.00 H new ATOM 232 N ASN A 16 27.675 20.871 9.851 1.00 0.00 N ATOM 233 CA ASN A 16 27.819 21.174 8.432 1.00 0.00 C ATOM 234 C ASN A 16 29.236 20.871 7.952 1.00 0.00 C ATOM 235 O ASN A 16 30.198 21.510 8.381 1.00 0.00 O ATOM 236 CB ASN A 16 27.482 22.642 8.165 1.00 0.00 C ATOM 237 CG ASN A 16 28.239 23.585 9.081 1.00 0.00 C ATOM 238 OD1 ASN A 16 29.253 24.165 8.691 1.00 0.00 O ATOM 239 ND2 ASN A 16 27.749 23.741 10.305 1.00 0.00 N ATOM 0 H ASN A 16 28.289 21.410 10.462 1.00 0.00 H new ATOM 0 HA ASN A 16 27.124 20.542 7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 16 27.715 22.883 7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 16 26.411 22.796 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 16 28.216 24.362 10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 16 26.906 23.240 10.584 1.00 0.00 H new ATOM 246 N LEU A 17 29.357 19.894 7.061 1.00 0.00 N ATOM 247 CA LEU A 17 30.656 19.506 6.522 1.00 0.00 C ATOM 248 C LEU A 17 30.696 19.697 5.009 1.00 0.00 C ATOM 249 O LEU A 17 29.669 19.695 4.330 1.00 0.00 O ATOM 250 CB LEU A 17 30.960 18.048 6.872 1.00 0.00 C ATOM 251 CG LEU A 17 30.341 16.994 5.953 1.00 0.00 C ATOM 252 CD1 LEU A 17 31.422 16.279 5.157 1.00 0.00 C ATOM 253 CD2 LEU A 17 29.524 15.997 6.761 1.00 0.00 C ATOM 0 H LEU A 17 28.571 19.355 6.696 1.00 0.00 H new ATOM 0 HA LEU A 17 31.415 20.147 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 17 32.042 17.913 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 17 30.617 17.860 7.890 1.00 0.00 H new ATOM 0 HG LEU A 17 29.675 17.496 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.963 15.533 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 17 31.965 17.003 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 17 32.114 15.788 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.091 15.254 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 17 30.169 15.500 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.726 16.522 7.286 1.00 0.00 H new ATOM 265 N PRO A 18 31.911 19.865 4.466 1.00 0.00 N ATOM 266 CA PRO A 18 32.116 20.058 3.027 1.00 0.00 C ATOM 267 C PRO A 18 31.825 18.793 2.226 1.00 0.00 C ATOM 268 O PRO A 18 31.221 17.850 2.735 1.00 0.00 O ATOM 269 CB PRO A 18 33.598 20.425 2.926 1.00 0.00 C ATOM 270 CG PRO A 18 34.223 19.818 4.134 1.00 0.00 C ATOM 271 CD PRO A 18 33.179 19.879 5.215 1.00 0.00 C ATOM 0 HA PRO A 18 31.447 20.815 2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 18 34.041 20.032 2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 18 33.738 21.506 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.526 18.789 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 18 35.120 20.365 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.254 19.030 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 18 33.279 20.781 5.820 1.00 0.00 H new ATOM 279 N ASN A 19 32.259 18.781 0.970 1.00 0.00 N ATOM 280 CA ASN A 19 32.044 17.632 0.098 1.00 0.00 C ATOM 281 C ASN A 19 30.560 17.450 -0.207 1.00 0.00 C ATOM 282 O ASN A 19 30.099 16.336 -0.453 1.00 0.00 O ATOM 283 CB ASN A 19 32.602 16.363 0.745 1.00 0.00 C ATOM 284 CG ASN A 19 33.970 16.583 1.362 1.00 0.00 C ATOM 285 OD1 ASN A 19 34.872 17.125 0.723 1.00 0.00 O ATOM 286 ND2 ASN A 19 34.131 16.160 2.611 1.00 0.00 N ATOM 0 H ASN A 19 32.762 19.554 0.533 1.00 0.00 H new ATOM 0 HA ASN A 19 32.569 17.816 -0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 19 31.911 16.016 1.513 1.00 0.00 H new ATOM 0 HB3 ASN A 19 32.667 15.574 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.030 16.279 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 19 33.356 15.716 3.103 1.00 0.00 H new ATOM 293 N ALA A 20 29.819 18.553 -0.189 1.00 0.00 N ATOM 294 CA ALA A 20 28.388 18.516 -0.466 1.00 0.00 C ATOM 295 C ALA A 20 27.674 17.540 0.462 1.00 0.00 C ATOM 296 O ALA A 20 26.653 16.954 0.099 1.00 0.00 O ATOM 297 CB ALA A 20 28.142 18.141 -1.920 1.00 0.00 C ATOM 0 H ALA A 20 30.186 19.483 0.014 1.00 0.00 H new ATOM 0 HA ALA A 20 27.982 19.511 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.070 18.117 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.611 18.879 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.569 17.158 -2.119 1.00 0.00 H new ATOM 303 N THR A 21 28.218 17.367 1.663 1.00 0.00 N ATOM 304 CA THR A 21 27.634 16.460 2.643 1.00 0.00 C ATOM 305 C THR A 21 27.036 17.229 3.816 1.00 0.00 C ATOM 306 O THR A 21 27.401 18.377 4.069 1.00 0.00 O ATOM 307 CB THR A 21 28.679 15.462 3.178 1.00 0.00 C ATOM 308 OG1 THR A 21 29.868 15.526 2.383 1.00 0.00 O ATOM 309 CG2 THR A 21 28.129 14.044 3.164 1.00 0.00 C ATOM 0 H THR A 21 29.062 17.843 1.980 1.00 0.00 H new ATOM 0 HA THR A 21 26.844 15.909 2.132 1.00 0.00 H new ATOM 0 HB THR A 21 28.915 15.733 4.207 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.371 16.336 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.884 13.357 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.240 13.992 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.868 13.765 2.143 1.00 0.00 H new ATOM 317 N PHE A 22 26.115 16.589 4.529 1.00 0.00 N ATOM 318 CA PHE A 22 25.466 17.213 5.676 1.00 0.00 C ATOM 319 C PHE A 22 24.963 16.158 6.657 1.00 0.00 C ATOM 320 O PHE A 22 24.700 15.017 6.277 1.00 0.00 O ATOM 321 CB PHE A 22 24.303 18.093 5.214 1.00 0.00 C ATOM 322 CG PHE A 22 24.694 19.521 4.963 1.00 0.00 C ATOM 323 CD1 PHE A 22 24.834 20.410 6.016 1.00 0.00 C ATOM 324 CD2 PHE A 22 24.922 19.974 3.673 1.00 0.00 C ATOM 325 CE1 PHE A 22 25.193 21.725 5.788 1.00 0.00 C ATOM 326 CE2 PHE A 22 25.281 21.288 3.439 1.00 0.00 C ATOM 327 CZ PHE A 22 25.418 22.164 4.497 1.00 0.00 C ATOM 0 H PHE A 22 25.801 15.639 4.333 1.00 0.00 H new ATOM 0 HA PHE A 22 26.203 17.835 6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 22 23.882 17.674 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.517 18.067 5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.661 20.072 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.818 19.293 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.298 22.409 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.454 21.629 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 22 25.701 23.191 4.316 1.00 0.00 H new ATOM 337 N ARG A 23 24.831 16.549 7.921 1.00 0.00 N ATOM 338 CA ARG A 23 24.361 15.637 8.957 1.00 0.00 C ATOM 339 C ARG A 23 23.101 16.178 9.626 1.00 0.00 C ATOM 340 O ARG A 23 23.047 17.341 10.025 1.00 0.00 O ATOM 341 CB ARG A 23 25.453 15.417 10.005 1.00 0.00 C ATOM 342 CG ARG A 23 26.317 14.195 9.738 1.00 0.00 C ATOM 343 CD ARG A 23 26.990 13.699 11.008 1.00 0.00 C ATOM 344 NE ARG A 23 28.312 13.138 10.743 1.00 0.00 N ATOM 345 CZ ARG A 23 29.390 13.876 10.508 1.00 0.00 C ATOM 346 NH1 ARG A 23 29.304 15.199 10.504 1.00 0.00 N ATOM 347 NH2 ARG A 23 30.559 13.292 10.275 1.00 0.00 N ATOM 0 H ARG A 23 25.043 17.490 8.252 1.00 0.00 H new ATOM 0 HA ARG A 23 24.121 14.684 8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.090 16.300 10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 23 24.988 15.316 10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 23 25.703 13.399 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.076 14.440 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.081 14.523 11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.363 12.942 11.479 1.00 0.00 H new ATOM 0 HE ARG A 23 28.413 12.123 10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.408 15.652 10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 23 30.134 15.763 10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 23 30.630 12.274 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.386 13.861 10.095 1.00 0.00 H new ATOM 361 N VAL A 24 22.088 15.325 9.744 1.00 0.00 N ATOM 362 CA VAL A 24 20.828 15.717 10.365 1.00 0.00 C ATOM 363 C VAL A 24 20.341 14.651 11.340 1.00 0.00 C ATOM 364 O VAL A 24 20.417 13.455 11.058 1.00 0.00 O ATOM 365 CB VAL A 24 19.736 15.968 9.308 1.00 0.00 C ATOM 366 CG1 VAL A 24 18.404 16.269 9.977 1.00 0.00 C ATOM 367 CG2 VAL A 24 20.144 17.102 8.380 1.00 0.00 C ATOM 0 H VAL A 24 22.115 14.359 9.418 1.00 0.00 H new ATOM 0 HA VAL A 24 21.017 16.643 10.908 1.00 0.00 H new ATOM 0 HB VAL A 24 19.619 15.064 8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 24 17.645 16.444 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 24 18.108 15.422 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 24 18.503 17.157 10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 24 19.361 17.266 7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 24 20.290 18.013 8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 24 21.073 16.841 7.874 1.00 0.00 H new ATOM 377 N LYS A 25 19.839 15.092 12.488 1.00 0.00 N ATOM 378 CA LYS A 25 19.337 14.177 13.506 1.00 0.00 C ATOM 379 C LYS A 25 17.850 13.902 13.305 1.00 0.00 C ATOM 380 O LYS A 25 17.047 14.829 13.191 1.00 0.00 O ATOM 381 CB LYS A 25 19.575 14.754 14.903 1.00 0.00 C ATOM 382 CG LYS A 25 20.959 15.352 15.086 1.00 0.00 C ATOM 383 CD LYS A 25 21.512 15.065 16.472 1.00 0.00 C ATOM 384 CE LYS A 25 21.059 16.110 17.480 1.00 0.00 C ATOM 385 NZ LYS A 25 21.939 16.141 18.681 1.00 0.00 N ATOM 0 H LYS A 25 19.769 16.079 12.737 1.00 0.00 H new ATOM 0 HA LYS A 25 19.879 13.236 13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.827 15.522 15.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.428 13.967 15.642 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.634 14.946 14.333 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.915 16.429 14.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.185 14.078 16.798 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.601 15.043 16.433 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.055 17.092 17.008 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.034 15.899 17.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.597 16.866 19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.924 15.211 19.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.912 16.368 18.393 1.00 0.00 H new ATOM 399 N LEU A 26 17.490 12.624 13.263 1.00 0.00 N ATOM 400 CA LEU A 26 16.098 12.227 13.077 1.00 0.00 C ATOM 401 C LEU A 26 15.325 12.321 14.388 1.00 0.00 C ATOM 402 O LEU A 26 15.634 13.150 15.243 1.00 0.00 O ATOM 403 CB LEU A 26 16.023 10.801 12.528 1.00 0.00 C ATOM 404 CG LEU A 26 17.024 10.453 11.426 1.00 0.00 C ATOM 405 CD1 LEU A 26 16.683 9.109 10.801 1.00 0.00 C ATOM 406 CD2 LEU A 26 17.051 11.544 10.366 1.00 0.00 C ATOM 0 H LEU A 26 18.142 11.845 13.355 1.00 0.00 H new ATOM 0 HA LEU A 26 15.644 12.910 12.359 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.168 10.106 13.355 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.017 10.633 12.144 1.00 0.00 H new ATOM 0 HG LEU A 26 18.016 10.383 11.872 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.406 8.878 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.715 8.333 11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.683 9.152 10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.769 11.279 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.060 11.646 9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.344 12.489 10.824 1.00 0.00 H new ATOM 418 N GLU A 27 14.321 11.463 14.540 1.00 0.00 N ATOM 419 CA GLU A 27 13.505 11.449 15.749 1.00 0.00 C ATOM 420 C GLU A 27 14.137 10.565 16.821 1.00 0.00 C ATOM 421 O GLU A 27 14.066 10.869 18.011 1.00 0.00 O ATOM 422 CB GLU A 27 12.093 10.954 15.432 1.00 0.00 C ATOM 423 CG GLU A 27 12.045 9.511 14.958 1.00 0.00 C ATOM 424 CD GLU A 27 10.742 9.167 14.264 1.00 0.00 C ATOM 425 OE1 GLU A 27 10.325 9.933 13.370 1.00 0.00 O ATOM 426 OE2 GLU A 27 10.138 8.132 14.615 1.00 0.00 O ATOM 0 H GLU A 27 14.053 10.769 13.842 1.00 0.00 H new ATOM 0 HA GLU A 27 13.448 12.469 16.130 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.473 11.056 16.323 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.656 11.594 14.665 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.875 9.329 14.275 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.184 8.848 15.812 1.00 0.00 H new ATOM 433 N ASN A 28 14.754 9.470 16.389 1.00 0.00 N ATOM 434 CA ASN A 28 15.398 8.542 17.312 1.00 0.00 C ATOM 435 C ASN A 28 16.538 9.223 18.062 1.00 0.00 C ATOM 436 O ASN A 28 17.006 8.725 19.085 1.00 0.00 O ATOM 437 CB ASN A 28 15.927 7.323 16.554 1.00 0.00 C ATOM 438 CG ASN A 28 14.856 6.274 16.325 1.00 0.00 C ATOM 439 OD1 ASN A 28 14.298 6.168 15.233 1.00 0.00 O ATOM 440 ND2 ASN A 28 14.564 5.491 17.358 1.00 0.00 N ATOM 0 H ASN A 28 14.822 9.204 15.407 1.00 0.00 H new ATOM 0 HA ASN A 28 14.654 8.216 18.039 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.329 7.643 15.593 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.751 6.880 17.113 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.852 4.767 17.264 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.052 5.614 18.245 1.00 0.00 H new ATOM 447 N GLY A 29 16.980 10.365 17.546 1.00 0.00 N ATOM 448 CA GLY A 29 18.061 11.097 18.180 1.00 0.00 C ATOM 449 C GLY A 29 19.382 10.922 17.457 1.00 0.00 C ATOM 450 O GLY A 29 20.270 11.769 17.558 1.00 0.00 O ATOM 0 H GLY A 29 16.609 10.797 16.700 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.807 12.156 18.215 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.167 10.761 19.211 1.00 0.00 H new ATOM 454 N HIS A 30 19.513 9.819 16.727 1.00 0.00 N ATOM 455 CA HIS A 30 20.736 9.535 15.985 1.00 0.00 C ATOM 456 C HIS A 30 20.887 10.486 14.801 1.00 0.00 C ATOM 457 O HIS A 30 19.903 11.027 14.298 1.00 0.00 O ATOM 458 CB HIS A 30 20.735 8.087 15.494 1.00 0.00 C ATOM 459 CG HIS A 30 19.606 7.771 14.562 1.00 0.00 C ATOM 460 ND1 HIS A 30 19.525 6.593 13.850 1.00 0.00 N ATOM 461 CD2 HIS A 30 18.507 8.487 14.228 1.00 0.00 C ATOM 462 CE1 HIS A 30 18.425 6.599 13.118 1.00 0.00 C ATOM 463 NE2 HIS A 30 17.790 7.737 13.329 1.00 0.00 N ATOM 0 H HIS A 30 18.788 9.108 16.633 1.00 0.00 H new ATOM 0 HA HIS A 30 21.582 9.683 16.657 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.679 7.882 14.990 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.682 7.420 16.355 1.00 0.00 H new ATOM 0 HD1 HIS A 30 20.207 5.836 13.883 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.243 9.466 14.600 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.100 5.807 12.459 1.00 0.00 H new ATOM 471 N VAL A 31 22.126 10.684 14.362 1.00 0.00 N ATOM 472 CA VAL A 31 22.405 11.569 13.237 1.00 0.00 C ATOM 473 C VAL A 31 22.616 10.776 11.953 1.00 0.00 C ATOM 474 O VAL A 31 23.253 9.723 11.958 1.00 0.00 O ATOM 475 CB VAL A 31 23.650 12.437 13.502 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.503 13.197 14.811 1.00 0.00 C ATOM 477 CG2 VAL A 31 24.905 11.578 13.513 1.00 0.00 C ATOM 0 H VAL A 31 22.952 10.244 14.768 1.00 0.00 H new ATOM 0 HA VAL A 31 21.537 12.217 13.121 1.00 0.00 H new ATOM 0 HB VAL A 31 23.742 13.165 12.696 1.00 0.00 H new ATOM 0 HG11 VAL A 31 24.392 13.804 14.981 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.626 13.843 14.760 1.00 0.00 H new ATOM 0 HG13 VAL A 31 23.385 12.489 15.631 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.775 12.207 13.701 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.824 10.826 14.298 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.017 11.084 12.548 1.00 0.00 H new ATOM 487 N VAL A 32 22.077 11.289 10.852 1.00 0.00 N ATOM 488 CA VAL A 32 22.206 10.630 9.558 1.00 0.00 C ATOM 489 C VAL A 32 23.117 11.422 8.626 1.00 0.00 C ATOM 490 O VAL A 32 23.083 12.653 8.605 1.00 0.00 O ATOM 491 CB VAL A 32 20.835 10.445 8.882 1.00 0.00 C ATOM 492 CG1 VAL A 32 19.909 9.625 9.767 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.216 11.796 8.556 1.00 0.00 C ATOM 0 H VAL A 32 21.546 12.160 10.830 1.00 0.00 H new ATOM 0 HA VAL A 32 22.645 9.650 9.745 1.00 0.00 H new ATOM 0 HB VAL A 32 20.980 9.902 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.945 9.505 9.272 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.350 8.644 9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 32 19.767 10.137 10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.247 11.647 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.084 12.367 9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.873 12.344 7.880 1.00 0.00 H new ATOM 503 N LEU A 33 23.932 10.708 7.857 1.00 0.00 N ATOM 504 CA LEU A 33 24.853 11.344 6.921 1.00 0.00 C ATOM 505 C LEU A 33 24.333 11.241 5.491 1.00 0.00 C ATOM 506 O LEU A 33 24.103 10.145 4.980 1.00 0.00 O ATOM 507 CB LEU A 33 26.237 10.700 7.021 1.00 0.00 C ATOM 508 CG LEU A 33 26.821 10.579 8.429 1.00 0.00 C ATOM 509 CD1 LEU A 33 26.350 9.294 9.093 1.00 0.00 C ATOM 510 CD2 LEU A 33 28.341 10.630 8.382 1.00 0.00 C ATOM 0 H LEU A 33 23.974 9.689 7.863 1.00 0.00 H new ATOM 0 HA LEU A 33 24.930 12.399 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 33 26.184 9.703 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 33 26.930 11.279 6.410 1.00 0.00 H new ATOM 0 HG LEU A 33 26.467 11.422 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 33 26.775 9.225 10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 33 25.262 9.297 9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 33 26.675 8.438 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 33 28.739 10.543 9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 33 28.714 9.807 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 33 28.660 11.577 7.947 1.00 0.00 H new ATOM 522 N GLY A 34 24.152 12.391 4.848 1.00 0.00 N ATOM 523 CA GLY A 34 23.663 12.408 3.482 1.00 0.00 C ATOM 524 C GLY A 34 24.217 13.571 2.682 1.00 0.00 C ATOM 525 O GLY A 34 25.244 14.147 3.041 1.00 0.00 O ATOM 0 H GLY A 34 24.335 13.311 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.932 11.473 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.574 12.462 3.490 1.00 0.00 H new ATOM 529 N HIS A 35 23.536 13.916 1.594 1.00 0.00 N ATOM 530 CA HIS A 35 23.966 15.018 0.741 1.00 0.00 C ATOM 531 C HIS A 35 22.796 15.565 -0.072 1.00 0.00 C ATOM 532 O HIS A 35 21.888 14.822 -0.447 1.00 0.00 O ATOM 533 CB HIS A 35 25.083 14.559 -0.196 1.00 0.00 C ATOM 534 CG HIS A 35 24.757 13.304 -0.947 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.165 13.305 -2.192 1.00 0.00 N ATOM 536 CD2 HIS A 35 24.945 12.004 -0.622 1.00 0.00 C ATOM 537 CE1 HIS A 35 24.002 12.059 -2.600 1.00 0.00 C ATOM 538 NE2 HIS A 35 24.468 11.250 -1.666 1.00 0.00 N ATOM 0 H HIS A 35 22.685 13.449 1.282 1.00 0.00 H new ATOM 0 HA HIS A 35 24.344 15.815 1.382 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.297 15.355 -0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 35 25.991 14.399 0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 35 25.388 11.629 0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 35 23.562 11.754 -3.538 1.00 0.00 H new ATOM 0 HE2 HIS A 35 24.473 10.231 -1.712 1.00 0.00 H new ATOM 546 N ILE A 36 22.825 16.866 -0.340 1.00 0.00 N ATOM 547 CA ILE A 36 21.768 17.510 -1.109 1.00 0.00 C ATOM 548 C ILE A 36 22.077 17.481 -2.602 1.00 0.00 C ATOM 549 O ILE A 36 23.230 17.621 -3.010 1.00 0.00 O ATOM 550 CB ILE A 36 21.562 18.971 -0.667 1.00 0.00 C ATOM 551 CG1 ILE A 36 20.450 19.624 -1.491 1.00 0.00 C ATOM 552 CG2 ILE A 36 22.859 19.754 -0.804 1.00 0.00 C ATOM 553 CD1 ILE A 36 19.098 18.973 -1.305 1.00 0.00 C ATOM 0 H ILE A 36 23.569 17.494 -0.036 1.00 0.00 H new ATOM 0 HA ILE A 36 20.853 16.948 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 36 21.265 18.979 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 36 20.378 20.677 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 36 20.721 19.586 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.697 20.784 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.627 19.299 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 36 23.184 19.741 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 36 18.359 19.488 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 36 19.154 17.927 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 36 18.805 19.035 -0.257 1.00 0.00 H new ATOM 565 N SER A 37 21.039 17.300 -3.412 1.00 0.00 N ATOM 566 CA SER A 37 21.199 17.250 -4.860 1.00 0.00 C ATOM 567 C SER A 37 19.985 17.849 -5.563 1.00 0.00 C ATOM 568 O SER A 37 18.898 17.924 -4.991 1.00 0.00 O ATOM 569 CB SER A 37 21.409 15.806 -5.322 1.00 0.00 C ATOM 570 OG SER A 37 22.637 15.666 -6.016 1.00 0.00 O ATOM 0 H SER A 37 20.078 17.186 -3.090 1.00 0.00 H new ATOM 0 HA SER A 37 22.077 17.840 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.397 15.140 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.585 15.505 -5.969 1.00 0.00 H new ATOM 0 HG SER A 37 22.748 14.734 -6.299 1.00 0.00 H new ATOM 576 N GLY A 38 20.178 18.274 -6.807 1.00 0.00 N ATOM 577 CA GLY A 38 19.091 18.862 -7.568 1.00 0.00 C ATOM 578 C GLY A 38 19.481 20.175 -8.217 1.00 0.00 C ATOM 579 O GLY A 38 20.656 20.541 -8.240 1.00 0.00 O ATOM 0 H GLY A 38 21.068 18.222 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 38 18.770 18.161 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 38 18.238 19.025 -6.910 1.00 0.00 H new ATOM 583 N LYS A 39 18.493 20.888 -8.747 1.00 0.00 N ATOM 584 CA LYS A 39 18.737 22.168 -9.400 1.00 0.00 C ATOM 585 C LYS A 39 18.630 23.317 -8.402 1.00 0.00 C ATOM 586 O LYS A 39 19.157 24.404 -8.635 1.00 0.00 O ATOM 587 CB LYS A 39 17.742 22.379 -10.544 1.00 0.00 C ATOM 588 CG LYS A 39 17.784 21.283 -11.595 1.00 0.00 C ATOM 589 CD LYS A 39 16.975 21.659 -12.825 1.00 0.00 C ATOM 590 CE LYS A 39 16.606 20.434 -13.647 1.00 0.00 C ATOM 591 NZ LYS A 39 15.770 19.477 -12.870 1.00 0.00 N ATOM 0 H LYS A 39 17.514 20.600 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 39 19.749 22.153 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.735 22.438 -10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.948 23.337 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.818 21.093 -11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.395 20.357 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.068 22.180 -12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.548 22.352 -13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.066 20.746 -14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.515 19.934 -13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.175 18.927 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.386 18.832 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.164 20.003 -12.209 1.00 0.00 H new ATOM 605 N MET A 40 17.947 23.068 -7.290 1.00 0.00 N ATOM 606 CA MET A 40 17.774 24.081 -6.256 1.00 0.00 C ATOM 607 C MET A 40 18.975 24.108 -5.316 1.00 0.00 C ATOM 608 O MET A 40 19.204 25.094 -4.614 1.00 0.00 O ATOM 609 CB MET A 40 16.495 23.816 -5.460 1.00 0.00 C ATOM 610 CG MET A 40 16.038 25.004 -4.630 1.00 0.00 C ATOM 611 SD MET A 40 15.353 26.333 -5.638 1.00 0.00 S ATOM 612 CE MET A 40 16.806 27.348 -5.895 1.00 0.00 C ATOM 0 H MET A 40 17.504 22.173 -7.082 1.00 0.00 H new ATOM 0 HA MET A 40 17.694 25.052 -6.744 1.00 0.00 H new ATOM 0 HB2 MET A 40 15.699 23.538 -6.150 1.00 0.00 H new ATOM 0 HB3 MET A 40 16.658 22.964 -4.800 1.00 0.00 H new ATOM 0 HG2 MET A 40 15.287 24.674 -3.912 1.00 0.00 H new ATOM 0 HG3 MET A 40 16.881 25.387 -4.055 1.00 0.00 H new ATOM 0 HE1 MET A 40 16.550 28.396 -5.739 1.00 0.00 H new ATOM 0 HE2 MET A 40 17.584 27.055 -5.190 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.170 27.211 -6.913 1.00 0.00 H new ATOM 622 N ARG A 41 19.739 23.021 -5.307 1.00 0.00 N ATOM 623 CA ARG A 41 20.916 22.920 -4.452 1.00 0.00 C ATOM 624 C ARG A 41 22.099 23.662 -5.066 1.00 0.00 C ATOM 625 O ARG A 41 23.039 24.039 -4.367 1.00 0.00 O ATOM 626 CB ARG A 41 21.282 21.453 -4.223 1.00 0.00 C ATOM 627 CG ARG A 41 21.942 20.796 -5.425 1.00 0.00 C ATOM 628 CD ARG A 41 23.458 20.814 -5.307 1.00 0.00 C ATOM 629 NE ARG A 41 24.068 19.636 -5.918 1.00 0.00 N ATOM 630 CZ ARG A 41 25.378 19.414 -5.939 1.00 0.00 C ATOM 631 NH1 ARG A 41 26.210 20.286 -5.387 1.00 0.00 N ATOM 632 NH2 ARG A 41 25.857 18.319 -6.514 1.00 0.00 N ATOM 0 H ARG A 41 19.564 22.197 -5.882 1.00 0.00 H new ATOM 0 HA ARG A 41 20.679 23.381 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.954 21.384 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.380 20.898 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.595 19.767 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.641 21.314 -6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.848 21.713 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.739 20.864 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 41 23.455 18.946 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.845 21.130 -4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.215 20.113 -5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.220 17.646 -6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.863 18.149 -6.530 1.00 0.00 H new ATOM 646 N MET A 42 22.046 23.867 -6.378 1.00 0.00 N ATOM 647 CA MET A 42 23.113 24.564 -7.087 1.00 0.00 C ATOM 648 C MET A 42 22.859 26.068 -7.110 1.00 0.00 C ATOM 649 O MET A 42 23.551 26.814 -7.803 1.00 0.00 O ATOM 650 CB MET A 42 23.237 24.034 -8.516 1.00 0.00 C ATOM 651 CG MET A 42 23.682 22.582 -8.589 1.00 0.00 C ATOM 652 SD MET A 42 23.110 21.755 -10.086 1.00 0.00 S ATOM 653 CE MET A 42 24.102 20.264 -10.049 1.00 0.00 C ATOM 0 H MET A 42 21.275 23.560 -6.972 1.00 0.00 H new ATOM 0 HA MET A 42 24.047 24.379 -6.557 1.00 0.00 H new ATOM 0 HB2 MET A 42 22.275 24.136 -9.018 1.00 0.00 H new ATOM 0 HB3 MET A 42 23.949 24.652 -9.063 1.00 0.00 H new ATOM 0 HG2 MET A 42 24.770 22.537 -8.547 1.00 0.00 H new ATOM 0 HG3 MET A 42 23.307 22.047 -7.717 1.00 0.00 H new ATOM 0 HE1 MET A 42 23.862 19.646 -10.914 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.159 20.529 -10.074 1.00 0.00 H new ATOM 0 HE3 MET A 42 23.889 19.708 -9.136 1.00 0.00 H new ATOM 663 N HIS A 43 21.861 26.507 -6.349 1.00 0.00 N ATOM 664 CA HIS A 43 21.516 27.922 -6.282 1.00 0.00 C ATOM 665 C HIS A 43 22.189 28.590 -5.087 1.00 0.00 C ATOM 666 O HIS A 43 21.712 29.606 -4.581 1.00 0.00 O ATOM 667 CB HIS A 43 19.999 28.095 -6.190 1.00 0.00 C ATOM 668 CG HIS A 43 19.511 29.401 -6.739 1.00 0.00 C ATOM 669 ND1 HIS A 43 19.366 29.643 -8.088 1.00 0.00 N ATOM 670 CD2 HIS A 43 19.132 30.538 -6.111 1.00 0.00 C ATOM 671 CE1 HIS A 43 18.920 30.874 -8.267 1.00 0.00 C ATOM 672 NE2 HIS A 43 18.770 31.438 -7.082 1.00 0.00 N ATOM 0 H HIS A 43 21.277 25.903 -5.770 1.00 0.00 H new ATOM 0 HA HIS A 43 21.875 28.401 -7.193 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.515 27.280 -6.729 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.695 28.012 -5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.117 30.706 -5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 43 18.713 31.339 -9.219 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.439 32.388 -6.916 1.00 0.00 H new ATOM 680 N TYR A 44 23.299 28.012 -4.640 1.00 0.00 N ATOM 681 CA TYR A 44 24.036 28.550 -3.503 1.00 0.00 C ATOM 682 C TYR A 44 23.112 28.764 -2.308 1.00 0.00 C ATOM 683 O TYR A 44 23.076 29.848 -1.723 1.00 0.00 O ATOM 684 CB TYR A 44 24.711 29.869 -3.883 1.00 0.00 C ATOM 685 CG TYR A 44 25.429 29.821 -5.212 1.00 0.00 C ATOM 686 CD1 TYR A 44 26.562 29.036 -5.384 1.00 0.00 C ATOM 687 CD2 TYR A 44 24.973 30.559 -6.297 1.00 0.00 C ATOM 688 CE1 TYR A 44 27.222 28.989 -6.597 1.00 0.00 C ATOM 689 CE2 TYR A 44 25.625 30.518 -7.515 1.00 0.00 C ATOM 690 CZ TYR A 44 26.749 29.732 -7.659 1.00 0.00 C ATOM 691 OH TYR A 44 27.403 29.687 -8.870 1.00 0.00 O ATOM 0 H TYR A 44 23.708 27.171 -5.048 1.00 0.00 H new ATOM 0 HA TYR A 44 24.801 27.826 -3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 44 23.958 30.657 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 44 25.424 30.140 -3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 44 26.934 28.452 -4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 44 24.093 31.176 -6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 44 28.103 28.375 -6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 44 25.257 31.098 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 44 26.942 30.266 -9.513 1.00 0.00 H new ATOM 701 N ILE A 45 22.367 27.723 -1.950 1.00 0.00 N ATOM 702 CA ILE A 45 21.445 27.796 -0.823 1.00 0.00 C ATOM 703 C ILE A 45 22.198 27.932 0.496 1.00 0.00 C ATOM 704 O ILE A 45 23.255 27.330 0.684 1.00 0.00 O ATOM 705 CB ILE A 45 20.538 26.553 -0.758 1.00 0.00 C ATOM 706 CG1 ILE A 45 21.381 25.277 -0.785 1.00 0.00 C ATOM 707 CG2 ILE A 45 19.543 26.562 -1.909 1.00 0.00 C ATOM 708 CD1 ILE A 45 20.756 24.123 -0.034 1.00 0.00 C ATOM 0 H ILE A 45 22.384 26.820 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 45 20.826 28.680 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 45 19.980 26.577 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 45 21.543 24.980 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 45 22.361 25.490 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.909 25.677 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.924 27.457 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 45 20.082 26.558 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 45 21.409 23.252 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 45 20.619 24.400 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 45 19.789 23.883 -0.475 1.00 0.00 H new ATOM 720 N ARG A 46 21.645 28.726 1.407 1.00 0.00 N ATOM 721 CA ARG A 46 22.263 28.941 2.710 1.00 0.00 C ATOM 722 C ARG A 46 21.854 27.848 3.693 1.00 0.00 C ATOM 723 O ARG A 46 20.686 27.462 3.755 1.00 0.00 O ATOM 724 CB ARG A 46 21.873 30.312 3.263 1.00 0.00 C ATOM 725 CG ARG A 46 22.676 31.459 2.671 1.00 0.00 C ATOM 726 CD ARG A 46 22.875 32.579 3.680 1.00 0.00 C ATOM 727 NE ARG A 46 23.944 32.277 4.629 1.00 0.00 N ATOM 728 CZ ARG A 46 24.257 33.059 5.656 1.00 0.00 C ATOM 729 NH1 ARG A 46 23.586 34.183 5.866 1.00 0.00 N ATOM 730 NH2 ARG A 46 25.242 32.716 6.476 1.00 0.00 N ATOM 0 H ARG A 46 20.770 29.231 1.267 1.00 0.00 H new ATOM 0 HA ARG A 46 23.345 28.903 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 46 20.814 30.484 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 46 22.004 30.308 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 46 23.647 31.091 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 46 22.163 31.847 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.109 33.504 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 46 21.945 32.747 4.223 1.00 0.00 H new ATOM 0 HE ARG A 46 24.479 31.419 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 46 22.827 34.449 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 46 23.828 34.782 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 46 25.759 31.851 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 46 25.482 33.317 7.264 1.00 0.00 H new ATOM 744 N ILE A 47 22.821 27.355 4.458 1.00 0.00 N ATOM 745 CA ILE A 47 22.561 26.308 5.438 1.00 0.00 C ATOM 746 C ILE A 47 23.251 26.612 6.764 1.00 0.00 C ATOM 747 O ILE A 47 24.357 27.153 6.791 1.00 0.00 O ATOM 748 CB ILE A 47 23.032 24.932 4.931 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.329 24.581 3.617 1.00 0.00 C ATOM 750 CG2 ILE A 47 22.769 23.862 5.980 1.00 0.00 C ATOM 751 CD1 ILE A 47 22.996 23.456 2.857 1.00 0.00 C ATOM 0 H ILE A 47 23.792 27.664 4.418 1.00 0.00 H new ATOM 0 HA ILE A 47 21.482 26.280 5.590 1.00 0.00 H new ATOM 0 HB ILE A 47 24.105 24.977 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.297 24.303 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.297 25.467 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 47 23.107 22.895 5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 23.310 24.108 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.701 23.815 6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.445 23.261 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.020 23.739 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.005 22.556 3.472 1.00 0.00 H new ATOM 763 N LEU A 48 22.592 26.258 7.862 1.00 0.00 N ATOM 764 CA LEU A 48 23.143 26.491 9.193 1.00 0.00 C ATOM 765 C LEU A 48 22.715 25.391 10.159 1.00 0.00 C ATOM 766 O LEU A 48 21.731 24.685 9.938 1.00 0.00 O ATOM 767 CB LEU A 48 22.692 27.854 9.721 1.00 0.00 C ATOM 768 CG LEU A 48 23.511 29.058 9.256 1.00 0.00 C ATOM 769 CD1 LEU A 48 22.861 30.355 9.714 1.00 0.00 C ATOM 770 CD2 LEU A 48 24.939 28.964 9.773 1.00 0.00 C ATOM 0 H LEU A 48 21.676 25.809 7.857 1.00 0.00 H new ATOM 0 HA LEU A 48 24.230 26.479 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.654 28.010 9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.713 27.824 10.810 1.00 0.00 H new ATOM 0 HG LEU A 48 23.539 29.054 8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.458 31.201 9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.858 30.427 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.801 30.367 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.507 29.830 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.931 28.942 10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.404 28.053 9.395 1.00 0.00 H new ATOM 782 N PRO A 49 23.469 25.242 11.258 1.00 0.00 N ATOM 783 CA PRO A 49 23.186 24.232 12.282 1.00 0.00 C ATOM 784 C PRO A 49 21.921 24.548 13.073 1.00 0.00 C ATOM 785 O PRO A 49 21.698 25.689 13.476 1.00 0.00 O ATOM 786 CB PRO A 49 24.415 24.294 13.191 1.00 0.00 C ATOM 787 CG PRO A 49 24.950 25.673 13.012 1.00 0.00 C ATOM 788 CD PRO A 49 24.657 26.048 11.586 1.00 0.00 C ATOM 0 HA PRO A 49 23.011 23.248 11.847 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.148 24.105 14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.154 23.543 12.910 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.475 26.369 13.704 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.021 25.705 13.212 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.459 27.115 11.484 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.495 25.815 10.929 1.00 0.00 H new ATOM 796 N GLY A 50 21.096 23.529 13.294 1.00 0.00 N ATOM 797 CA GLY A 50 19.864 23.719 14.037 1.00 0.00 C ATOM 798 C GLY A 50 18.653 23.828 13.133 1.00 0.00 C ATOM 799 O GLY A 50 17.525 23.583 13.563 1.00 0.00 O ATOM 0 H GLY A 50 21.259 22.575 12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.726 22.885 14.725 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.944 24.622 14.642 1.00 0.00 H new ATOM 803 N ASP A 51 18.884 24.198 11.879 1.00 0.00 N ATOM 804 CA ASP A 51 17.802 24.340 10.911 1.00 0.00 C ATOM 805 C ASP A 51 17.084 23.011 10.700 1.00 0.00 C ATOM 806 O ASP A 51 17.719 21.968 10.537 1.00 0.00 O ATOM 807 CB ASP A 51 18.346 24.858 9.579 1.00 0.00 C ATOM 808 CG ASP A 51 17.312 25.646 8.799 1.00 0.00 C ATOM 809 OD1 ASP A 51 16.547 26.407 9.428 1.00 0.00 O ATOM 810 OD2 ASP A 51 17.267 25.502 7.559 1.00 0.00 O ATOM 0 H ASP A 51 19.811 24.405 11.508 1.00 0.00 H new ATOM 0 HA ASP A 51 17.086 25.060 11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.215 25.489 9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.687 24.016 8.977 1.00 0.00 H new ATOM 815 N LYS A 52 15.756 23.054 10.705 1.00 0.00 N ATOM 816 CA LYS A 52 14.950 21.854 10.514 1.00 0.00 C ATOM 817 C LYS A 52 14.833 21.507 9.033 1.00 0.00 C ATOM 818 O LYS A 52 14.411 22.333 8.223 1.00 0.00 O ATOM 819 CB LYS A 52 13.557 22.050 11.114 1.00 0.00 C ATOM 820 CG LYS A 52 13.483 21.730 12.598 1.00 0.00 C ATOM 821 CD LYS A 52 13.987 22.888 13.443 1.00 0.00 C ATOM 822 CE LYS A 52 12.966 24.013 13.514 1.00 0.00 C ATOM 823 NZ LYS A 52 11.928 23.755 14.551 1.00 0.00 N ATOM 0 H LYS A 52 15.215 23.908 10.839 1.00 0.00 H new ATOM 0 HA LYS A 52 15.446 21.028 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.245 23.083 10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.848 21.418 10.579 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.453 21.500 12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.075 20.839 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.211 22.535 14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.919 23.267 13.024 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.474 24.952 13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.487 24.131 12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.251 24.544 14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.425 22.872 14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.382 23.668 15.483 1.00 0.00 H new ATOM 837 N VAL A 53 15.209 20.280 8.685 1.00 0.00 N ATOM 838 CA VAL A 53 15.143 19.824 7.302 1.00 0.00 C ATOM 839 C VAL A 53 14.652 18.383 7.222 1.00 0.00 C ATOM 840 O VAL A 53 14.642 17.661 8.220 1.00 0.00 O ATOM 841 CB VAL A 53 16.516 19.926 6.612 1.00 0.00 C ATOM 842 CG1 VAL A 53 17.051 21.347 6.695 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.497 18.941 7.230 1.00 0.00 C ATOM 0 H VAL A 53 15.562 19.584 9.342 1.00 0.00 H new ATOM 0 HA VAL A 53 14.436 20.475 6.787 1.00 0.00 H new ATOM 0 HB VAL A 53 16.394 19.670 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 53 18.022 21.400 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.356 22.027 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.159 21.635 7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.462 19.027 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.616 19.163 8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.116 17.926 7.113 1.00 0.00 H new ATOM 853 N THR A 54 14.244 17.968 6.026 1.00 0.00 N ATOM 854 CA THR A 54 13.750 16.613 5.815 1.00 0.00 C ATOM 855 C THR A 54 14.827 15.725 5.202 1.00 0.00 C ATOM 856 O THR A 54 15.578 16.156 4.327 1.00 0.00 O ATOM 857 CB THR A 54 12.511 16.603 4.901 1.00 0.00 C ATOM 858 OG1 THR A 54 11.498 17.460 5.439 1.00 0.00 O ATOM 859 CG2 THR A 54 11.961 15.193 4.749 1.00 0.00 C ATOM 0 H THR A 54 14.246 18.551 5.189 1.00 0.00 H new ATOM 0 HA THR A 54 13.473 16.221 6.794 1.00 0.00 H new ATOM 0 HB THR A 54 12.810 16.967 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.783 17.575 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.086 15.212 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.724 14.550 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.678 14.806 5.728 1.00 0.00 H new ATOM 867 N VAL A 55 14.898 14.482 5.667 1.00 0.00 N ATOM 868 CA VAL A 55 15.882 13.532 5.162 1.00 0.00 C ATOM 869 C VAL A 55 15.274 12.143 5.001 1.00 0.00 C ATOM 870 O VAL A 55 14.540 11.672 5.870 1.00 0.00 O ATOM 871 CB VAL A 55 17.103 13.440 6.097 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.019 14.638 5.899 1.00 0.00 C ATOM 873 CG2 VAL A 55 16.657 13.334 7.547 1.00 0.00 C ATOM 0 H VAL A 55 14.286 14.109 6.393 1.00 0.00 H new ATOM 0 HA VAL A 55 16.205 13.899 4.188 1.00 0.00 H new ATOM 0 HB VAL A 55 17.663 12.539 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.876 14.555 6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.366 14.664 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.472 15.555 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.532 13.270 8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.073 14.215 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.045 12.441 7.675 1.00 0.00 H new ATOM 883 N GLU A 56 15.584 11.493 3.884 1.00 0.00 N ATOM 884 CA GLU A 56 15.067 10.158 3.609 1.00 0.00 C ATOM 885 C GLU A 56 16.117 9.094 3.916 1.00 0.00 C ATOM 886 O GLU A 56 17.170 9.042 3.279 1.00 0.00 O ATOM 887 CB GLU A 56 14.625 10.048 2.149 1.00 0.00 C ATOM 888 CG GLU A 56 13.173 9.635 1.981 1.00 0.00 C ATOM 889 CD GLU A 56 12.847 9.209 0.562 1.00 0.00 C ATOM 890 OE1 GLU A 56 13.675 8.504 -0.051 1.00 0.00 O ATOM 891 OE2 GLU A 56 11.764 9.582 0.066 1.00 0.00 O ATOM 0 H GLU A 56 16.190 11.869 3.155 1.00 0.00 H new ATOM 0 HA GLU A 56 14.205 9.990 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.779 11.009 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.261 9.324 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.952 8.814 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.528 10.467 2.264 1.00 0.00 H new ATOM 898 N LEU A 57 15.824 8.247 4.897 1.00 0.00 N ATOM 899 CA LEU A 57 16.742 7.184 5.290 1.00 0.00 C ATOM 900 C LEU A 57 16.097 5.813 5.109 1.00 0.00 C ATOM 901 O LEU A 57 14.876 5.673 5.189 1.00 0.00 O ATOM 902 CB LEU A 57 17.174 7.369 6.746 1.00 0.00 C ATOM 903 CG LEU A 57 18.249 6.407 7.254 1.00 0.00 C ATOM 904 CD1 LEU A 57 19.576 6.676 6.561 1.00 0.00 C ATOM 905 CD2 LEU A 57 18.400 6.526 8.763 1.00 0.00 C ATOM 0 H LEU A 57 14.958 8.276 5.435 1.00 0.00 H new ATOM 0 HA LEU A 57 17.620 7.240 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.540 8.389 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.294 7.267 7.381 1.00 0.00 H new ATOM 0 HG LEU A 57 17.939 5.389 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 57 20.329 5.982 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 57 19.459 6.540 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 57 19.892 7.699 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 57 19.169 5.834 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 18.687 7.545 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.452 6.283 9.244 1.00 0.00 H new ATOM 917 N THR A 58 16.926 4.802 4.867 1.00 0.00 N ATOM 918 CA THR A 58 16.438 3.443 4.676 1.00 0.00 C ATOM 919 C THR A 58 16.661 2.598 5.925 1.00 0.00 C ATOM 920 O THR A 58 17.493 2.912 6.776 1.00 0.00 O ATOM 921 CB THR A 58 17.128 2.761 3.479 1.00 0.00 C ATOM 922 OG1 THR A 58 18.438 3.307 3.293 1.00 0.00 O ATOM 923 CG2 THR A 58 16.311 2.943 2.208 1.00 0.00 C ATOM 0 H THR A 58 17.939 4.900 4.799 1.00 0.00 H new ATOM 0 HA THR A 58 15.369 3.517 4.476 1.00 0.00 H new ATOM 0 HB THR A 58 17.206 1.695 3.692 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.903 3.343 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.818 2.453 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.324 2.500 2.343 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.205 4.006 1.993 1.00 0.00 H new ATOM 931 N PRO A 59 15.901 1.498 6.040 1.00 0.00 N ATOM 932 CA PRO A 59 15.999 0.585 7.182 1.00 0.00 C ATOM 933 C PRO A 59 17.307 -0.199 7.187 1.00 0.00 C ATOM 934 O PRO A 59 17.992 -0.277 8.207 1.00 0.00 O ATOM 935 CB PRO A 59 14.810 -0.359 6.984 1.00 0.00 C ATOM 936 CG PRO A 59 14.542 -0.328 5.519 1.00 0.00 C ATOM 937 CD PRO A 59 14.889 1.062 5.064 1.00 0.00 C ATOM 0 HA PRO A 59 15.984 1.118 8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.045 -1.368 7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.941 -0.026 7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.144 -1.071 4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.498 -0.558 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.283 1.065 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.017 1.716 5.070 1.00 0.00 H new ATOM 945 N TYR A 60 17.648 -0.779 6.041 1.00 0.00 N ATOM 946 CA TYR A 60 18.873 -1.559 5.914 1.00 0.00 C ATOM 947 C TYR A 60 20.103 -0.667 6.051 1.00 0.00 C ATOM 948 O TYR A 60 21.073 -1.026 6.719 1.00 0.00 O ATOM 949 CB TYR A 60 18.903 -2.286 4.569 1.00 0.00 C ATOM 950 CG TYR A 60 19.710 -3.564 4.588 1.00 0.00 C ATOM 951 CD1 TYR A 60 19.474 -4.543 5.546 1.00 0.00 C ATOM 952 CD2 TYR A 60 20.710 -3.792 3.651 1.00 0.00 C ATOM 953 CE1 TYR A 60 20.210 -5.712 5.568 1.00 0.00 C ATOM 954 CE2 TYR A 60 21.449 -4.959 3.665 1.00 0.00 C ATOM 955 CZ TYR A 60 21.196 -5.916 4.625 1.00 0.00 C ATOM 956 OH TYR A 60 21.931 -7.078 4.643 1.00 0.00 O ATOM 0 H TYR A 60 17.093 -0.723 5.187 1.00 0.00 H new ATOM 0 HA TYR A 60 18.890 -2.296 6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 60 17.881 -2.516 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 60 19.315 -1.617 3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 60 18.702 -4.387 6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 60 20.913 -3.044 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 60 20.014 -6.462 6.320 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.221 -5.121 2.928 1.00 0.00 H new ATOM 0 HH TYR A 60 22.583 -7.064 3.911 1.00 0.00 H new ATOM 966 N ASP A 61 20.055 0.498 5.414 1.00 0.00 N ATOM 967 CA ASP A 61 21.164 1.443 5.464 1.00 0.00 C ATOM 968 C ASP A 61 20.809 2.651 6.326 1.00 0.00 C ATOM 969 O ASP A 61 20.328 3.667 5.822 1.00 0.00 O ATOM 970 CB ASP A 61 21.537 1.900 4.053 1.00 0.00 C ATOM 971 CG ASP A 61 21.408 0.788 3.032 1.00 0.00 C ATOM 972 OD1 ASP A 61 22.267 -0.118 3.030 1.00 0.00 O ATOM 973 OD2 ASP A 61 20.448 0.823 2.233 1.00 0.00 O ATOM 0 H ASP A 61 19.260 0.810 4.857 1.00 0.00 H new ATOM 0 HA ASP A 61 22.020 0.938 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.896 2.732 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 61 22.562 2.272 4.054 1.00 0.00 H new ATOM 978 N LEU A 62 21.048 2.533 7.628 1.00 0.00 N ATOM 979 CA LEU A 62 20.752 3.615 8.561 1.00 0.00 C ATOM 980 C LEU A 62 21.954 4.542 8.718 1.00 0.00 C ATOM 981 O LEU A 62 21.978 5.399 9.601 1.00 0.00 O ATOM 982 CB LEU A 62 20.352 3.046 9.923 1.00 0.00 C ATOM 983 CG LEU A 62 19.448 3.931 10.781 1.00 0.00 C ATOM 984 CD1 LEU A 62 17.987 3.563 10.573 1.00 0.00 C ATOM 985 CD2 LEU A 62 19.825 3.814 12.250 1.00 0.00 C ATOM 0 H LEU A 62 21.446 1.700 8.061 1.00 0.00 H new ATOM 0 HA LEU A 62 19.920 4.192 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 62 19.847 2.093 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 62 21.260 2.834 10.487 1.00 0.00 H new ATOM 0 HG LEU A 62 19.588 4.967 10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.359 4.204 11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.723 3.700 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.831 2.521 10.853 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.171 4.451 12.845 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.715 2.779 12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.860 4.128 12.386 1.00 0.00 H new ATOM 997 N SER A 63 22.948 4.365 7.854 1.00 0.00 N ATOM 998 CA SER A 63 24.154 5.184 7.898 1.00 0.00 C ATOM 999 C SER A 63 24.335 5.955 6.594 1.00 0.00 C ATOM 1000 O SER A 63 25.453 6.306 6.217 1.00 0.00 O ATOM 1001 CB SER A 63 25.381 4.309 8.160 1.00 0.00 C ATOM 1002 OG SER A 63 26.540 5.101 8.353 1.00 0.00 O ATOM 0 H SER A 63 22.942 3.662 7.115 1.00 0.00 H new ATOM 0 HA SER A 63 24.047 5.901 8.712 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.209 3.690 9.041 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.535 3.632 7.320 1.00 0.00 H new ATOM 0 HG SER A 63 26.572 5.805 7.672 1.00 0.00 H new ATOM 1008 N ARG A 64 23.226 6.215 5.909 1.00 0.00 N ATOM 1009 CA ARG A 64 23.260 6.944 4.647 1.00 0.00 C ATOM 1010 C ARG A 64 21.852 7.327 4.202 1.00 0.00 C ATOM 1011 O ARG A 64 21.018 6.463 3.933 1.00 0.00 O ATOM 1012 CB ARG A 64 23.936 6.100 3.565 1.00 0.00 C ATOM 1013 CG ARG A 64 23.280 4.746 3.349 1.00 0.00 C ATOM 1014 CD ARG A 64 24.143 3.839 2.486 1.00 0.00 C ATOM 1015 NE ARG A 64 23.341 2.893 1.714 1.00 0.00 N ATOM 1016 CZ ARG A 64 22.542 3.251 0.715 1.00 0.00 C ATOM 1017 NH1 ARG A 64 22.439 4.526 0.369 1.00 0.00 N ATOM 1018 NH2 ARG A 64 21.845 2.331 0.061 1.00 0.00 N ATOM 0 H ARG A 64 22.293 5.931 6.207 1.00 0.00 H new ATOM 0 HA ARG A 64 23.835 7.857 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.926 6.653 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.981 5.949 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.101 4.270 4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.308 4.883 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.741 4.447 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.840 3.291 3.120 1.00 0.00 H new ATOM 0 HE ARG A 64 23.398 1.904 1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.974 5.235 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.825 4.798 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.923 1.349 0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.231 2.606 -0.706 1.00 0.00 H new ATOM 1032 N ALA A 65 21.595 8.629 4.127 1.00 0.00 N ATOM 1033 CA ALA A 65 20.289 9.127 3.713 1.00 0.00 C ATOM 1034 C ALA A 65 20.429 10.263 2.705 1.00 0.00 C ATOM 1035 O ALA A 65 21.525 10.776 2.483 1.00 0.00 O ATOM 1036 CB ALA A 65 19.492 9.589 4.925 1.00 0.00 C ATOM 0 H ALA A 65 22.274 9.358 4.348 1.00 0.00 H new ATOM 0 HA ALA A 65 19.753 8.311 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.519 9.958 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.353 8.752 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.033 10.388 5.433 1.00 0.00 H new ATOM 1042 N ARG A 66 19.312 10.650 2.098 1.00 0.00 N ATOM 1043 CA ARG A 66 19.311 11.723 1.112 1.00 0.00 C ATOM 1044 C ARG A 66 18.802 13.025 1.726 1.00 0.00 C ATOM 1045 O ARG A 66 17.764 13.046 2.387 1.00 0.00 O ATOM 1046 CB ARG A 66 18.444 11.341 -0.089 1.00 0.00 C ATOM 1047 CG ARG A 66 16.957 11.293 0.223 1.00 0.00 C ATOM 1048 CD ARG A 66 16.251 10.219 -0.590 1.00 0.00 C ATOM 1049 NE ARG A 66 16.455 10.397 -2.025 1.00 0.00 N ATOM 1050 CZ ARG A 66 15.892 11.370 -2.732 1.00 0.00 C ATOM 1051 NH1 ARG A 66 15.095 12.249 -2.140 1.00 0.00 N ATOM 1052 NH2 ARG A 66 16.126 11.467 -4.035 1.00 0.00 N ATOM 0 H ARG A 66 18.396 10.236 2.272 1.00 0.00 H new ATOM 0 HA ARG A 66 20.337 11.875 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 66 18.615 12.058 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.760 10.366 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.813 11.099 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.509 12.264 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.618 9.237 -0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.184 10.241 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 66 17.063 9.738 -2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.913 12.179 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.664 12.995 -2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.739 10.794 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.693 12.215 -4.577 1.00 0.00 H new ATOM 1066 N ILE A 67 19.541 14.106 1.502 1.00 0.00 N ATOM 1067 CA ILE A 67 19.165 15.411 2.033 1.00 0.00 C ATOM 1068 C ILE A 67 18.008 16.013 1.242 1.00 0.00 C ATOM 1069 O ILE A 67 18.041 16.061 0.013 1.00 0.00 O ATOM 1070 CB ILE A 67 20.352 16.391 2.011 1.00 0.00 C ATOM 1071 CG1 ILE A 67 21.446 15.923 2.972 1.00 0.00 C ATOM 1072 CG2 ILE A 67 19.887 17.794 2.372 1.00 0.00 C ATOM 1073 CD1 ILE A 67 21.065 16.051 4.430 1.00 0.00 C ATOM 0 H ILE A 67 20.403 14.104 0.957 1.00 0.00 H new ATOM 0 HA ILE A 67 18.854 15.254 3.066 1.00 0.00 H new ATOM 0 HB ILE A 67 20.766 16.414 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 67 21.685 14.881 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.351 16.502 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 67 20.737 18.476 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.139 18.126 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.451 17.787 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 67 21.888 15.701 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 67 20.854 17.095 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 67 20.178 15.449 4.628 1.00 0.00 H new ATOM 1085 N VAL A 68 16.985 16.472 1.957 1.00 0.00 N ATOM 1086 CA VAL A 68 15.819 17.074 1.323 1.00 0.00 C ATOM 1087 C VAL A 68 15.619 18.511 1.791 1.00 0.00 C ATOM 1088 O VAL A 68 16.177 18.928 2.806 1.00 0.00 O ATOM 1089 CB VAL A 68 14.540 16.267 1.619 1.00 0.00 C ATOM 1090 CG1 VAL A 68 13.463 16.577 0.590 1.00 0.00 C ATOM 1091 CG2 VAL A 68 14.847 14.777 1.650 1.00 0.00 C ATOM 0 H VAL A 68 16.941 16.438 2.975 1.00 0.00 H new ATOM 0 HA VAL A 68 16.004 17.067 0.249 1.00 0.00 H new ATOM 0 HB VAL A 68 14.165 16.558 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.567 15.998 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.225 17.640 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.824 16.315 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.933 14.221 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.246 14.467 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.583 14.573 2.428 1.00 0.00 H new ATOM 1101 N PHE A 69 14.818 19.265 1.045 1.00 0.00 N ATOM 1102 CA PHE A 69 14.545 20.657 1.383 1.00 0.00 C ATOM 1103 C PHE A 69 14.140 20.791 2.848 1.00 0.00 C ATOM 1104 O PHE A 69 13.805 19.804 3.504 1.00 0.00 O ATOM 1105 CB PHE A 69 13.439 21.214 0.484 1.00 0.00 C ATOM 1106 CG PHE A 69 13.709 21.031 -0.982 1.00 0.00 C ATOM 1107 CD1 PHE A 69 14.948 21.344 -1.516 1.00 0.00 C ATOM 1108 CD2 PHE A 69 12.723 20.545 -1.826 1.00 0.00 C ATOM 1109 CE1 PHE A 69 15.200 21.177 -2.865 1.00 0.00 C ATOM 1110 CE2 PHE A 69 12.969 20.375 -3.175 1.00 0.00 C ATOM 1111 CZ PHE A 69 14.209 20.692 -3.696 1.00 0.00 C ATOM 0 H PHE A 69 14.347 18.935 0.203 1.00 0.00 H new ATOM 0 HA PHE A 69 15.458 21.230 1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.497 20.726 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.313 22.276 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 69 15.727 21.723 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.752 20.296 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.170 21.425 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.192 19.995 -3.822 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.403 20.561 -4.750 1.00 0.00 H new ATOM 1121 N ARG A 70 14.176 22.019 3.356 1.00 0.00 N ATOM 1122 CA ARG A 70 13.815 22.283 4.743 1.00 0.00 C ATOM 1123 C ARG A 70 12.472 21.646 5.086 1.00 0.00 C ATOM 1124 O ARG A 70 11.678 21.333 4.200 1.00 0.00 O ATOM 1125 CB ARG A 70 13.758 23.790 5.000 1.00 0.00 C ATOM 1126 CG ARG A 70 12.724 24.513 4.152 1.00 0.00 C ATOM 1127 CD ARG A 70 13.113 25.964 3.916 1.00 0.00 C ATOM 1128 NE ARG A 70 13.980 26.116 2.751 1.00 0.00 N ATOM 1129 CZ ARG A 70 14.717 27.196 2.519 1.00 0.00 C ATOM 1130 NH1 ARG A 70 14.693 28.214 3.369 1.00 0.00 N ATOM 1131 NH2 ARG A 70 15.481 27.259 1.437 1.00 0.00 N ATOM 0 H ARG A 70 14.452 22.847 2.827 1.00 0.00 H new ATOM 0 HA ARG A 70 14.580 21.842 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.537 23.962 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.740 24.221 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.617 24.004 3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.753 24.471 4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.213 26.563 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.621 26.351 4.799 1.00 0.00 H new ATOM 0 HE ARG A 70 14.022 25.350 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.108 28.168 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.260 29.042 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.503 26.477 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.047 28.089 1.260 1.00 0.00 H new ATOM 1145 N ALA A 71 12.225 21.458 6.379 1.00 0.00 N ATOM 1146 CA ALA A 71 10.978 20.861 6.839 1.00 0.00 C ATOM 1147 C ALA A 71 10.065 21.909 7.466 1.00 0.00 C ATOM 1148 O ALA A 71 9.327 21.621 8.409 1.00 0.00 O ATOM 1149 CB ALA A 71 11.263 19.744 7.832 1.00 0.00 C ATOM 0 H ALA A 71 12.872 21.711 7.126 1.00 0.00 H new ATOM 0 HA ALA A 71 10.464 20.441 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.323 19.307 8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.869 18.976 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.802 20.148 8.689 1.00 0.00 H new ATOM 1155 N LYS A 72 10.121 23.127 6.938 1.00 0.00 N ATOM 1156 CA LYS A 72 9.299 24.220 7.446 1.00 0.00 C ATOM 1157 C LYS A 72 7.823 23.837 7.443 1.00 0.00 C ATOM 1158 O LYS A 72 7.150 23.927 6.415 1.00 0.00 O ATOM 1159 CB LYS A 72 9.513 25.479 6.603 1.00 0.00 C ATOM 1160 CG LYS A 72 9.253 26.769 7.361 1.00 0.00 C ATOM 1161 CD LYS A 72 9.623 27.988 6.532 1.00 0.00 C ATOM 1162 CE LYS A 72 8.599 28.249 5.438 1.00 0.00 C ATOM 1163 NZ LYS A 72 8.860 27.426 4.225 1.00 0.00 N ATOM 0 H LYS A 72 10.727 23.383 6.158 1.00 0.00 H new ATOM 0 HA LYS A 72 9.601 24.423 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.537 25.487 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.857 25.440 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.200 26.823 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.828 26.770 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.696 28.862 7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.606 27.840 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.600 28.031 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.615 29.305 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.905 28.044 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.765 26.925 4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.093 26.734 4.103 1.00 0.00 H new