USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 787 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 Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 176:sc= 0 (180deg=-0.00621) USER MOD Single : A 19 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 14:sc= 0.976 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0205 (180deg=-0.22) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.021) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.185 F(o=-0.69,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= -3.88! (180deg=-7.89!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 109:sc= 1.22 USER MOD Single : A 90 SER OG : rot 49:sc= 0.403 USER MOD Single : A 96 LYS NZ :NH3+ 149:sc= -0.244 (180deg=-1.23!) USER MOD Single : A 104 TYR OH : rot 51:sc= -4.65! USER MOD Single : A 106 GLN :FLIP amide:sc= -0.882 F(o=-1.5,f=-0.88) USER MOD Single : A 110 ASN :FLIP amide:sc= -1.22 F(o=-2.5,f=-1.2) USER MOD Single : A 111 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.8) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00474 USER MOD Single : A 114 MET CE :methyl -142:sc= -8.4! (180deg=-10.1!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -9.333 14.159 3.967 1.00 0.00 N ATOM 21 CA PHE A 2 -10.483 13.263 4.034 1.00 0.00 C ATOM 22 C PHE A 2 -10.114 11.948 4.712 1.00 0.00 C ATOM 23 O PHE A 2 -9.020 11.421 4.513 1.00 0.00 O ATOM 24 CB PHE A 2 -11.036 12.997 2.631 1.00 0.00 C ATOM 25 CG PHE A 2 -10.125 12.173 1.766 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.147 10.790 1.834 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.248 12.783 0.884 1.00 0.00 C ATOM 28 CE1 PHE A 2 -9.311 10.029 1.040 1.00 0.00 C ATOM 29 CE2 PHE A 2 -8.409 12.028 0.086 1.00 0.00 C ATOM 30 CZ PHE A 2 -8.441 10.649 0.164 1.00 0.00 C ATOM 0 HA PHE A 2 -11.254 13.750 4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -11.996 12.488 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -11.225 13.951 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.826 10.300 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.219 13.861 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.337 8.951 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -7.729 12.515 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.787 10.057 -0.459 1.00 0.00 H new ATOM 40 N ASP A 3 -11.035 11.425 5.515 1.00 0.00 N ATOM 41 CA ASP A 3 -10.807 10.172 6.227 1.00 0.00 C ATOM 42 C ASP A 3 -10.615 9.013 5.253 1.00 0.00 C ATOM 43 O ASP A 3 -11.290 8.931 4.226 1.00 0.00 O ATOM 44 CB ASP A 3 -11.977 9.875 7.167 1.00 0.00 C ATOM 45 CG ASP A 3 -12.122 10.918 8.257 1.00 0.00 C ATOM 46 OD1 ASP A 3 -11.367 10.847 9.250 1.00 0.00 O ATOM 47 OD2 ASP A 3 -12.990 11.805 8.118 1.00 0.00 O ATOM 0 H ASP A 3 -11.946 11.849 5.689 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.895 10.281 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.900 9.826 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.834 8.895 7.622 1.00 0.00 H new ATOM 52 N LEU A 4 -9.690 8.119 5.586 1.00 0.00 N ATOM 53 CA LEU A 4 -9.404 6.959 4.747 1.00 0.00 C ATOM 54 C LEU A 4 -8.876 5.807 5.596 1.00 0.00 C ATOM 55 O LEU A 4 -7.794 5.898 6.177 1.00 0.00 O ATOM 56 CB LEU A 4 -8.386 7.327 3.664 1.00 0.00 C ATOM 57 CG LEU A 4 -8.517 6.562 2.343 1.00 0.00 C ATOM 58 CD1 LEU A 4 -7.955 5.152 2.478 1.00 0.00 C ATOM 59 CD2 LEU A 4 -9.966 6.520 1.880 1.00 0.00 C ATOM 0 H LEU A 4 -9.124 8.175 6.433 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.329 6.642 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.474 8.393 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.384 7.161 4.061 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.936 7.092 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.058 4.627 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.901 5.205 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.503 4.614 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.032 5.972 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.575 6.022 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.331 7.537 1.733 1.00 0.00 H new ATOM 71 N THR A 5 -9.650 4.731 5.675 1.00 0.00 N ATOM 72 CA THR A 5 -9.259 3.571 6.467 1.00 0.00 C ATOM 73 C THR A 5 -9.483 2.270 5.703 1.00 0.00 C ATOM 74 O THR A 5 -10.596 1.748 5.663 1.00 0.00 O ATOM 75 CB THR A 5 -10.048 3.541 7.776 1.00 0.00 C ATOM 76 OG1 THR A 5 -9.891 4.758 8.484 1.00 0.00 O ATOM 77 CG2 THR A 5 -9.637 2.416 8.700 1.00 0.00 C ATOM 0 H THR A 5 -10.549 4.638 5.202 1.00 0.00 H new ATOM 0 HA THR A 5 -8.194 3.659 6.682 1.00 0.00 H new ATOM 0 HB THR A 5 -11.086 3.385 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.405 4.720 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.237 2.454 9.609 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.795 1.460 8.201 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.583 2.522 8.956 1.00 0.00 H new ATOM 85 N VAL A 6 -8.418 1.745 5.109 1.00 0.00 N ATOM 86 CA VAL A 6 -8.503 0.495 4.360 1.00 0.00 C ATOM 87 C VAL A 6 -7.881 -0.643 5.162 1.00 0.00 C ATOM 88 O VAL A 6 -7.182 -0.413 6.147 1.00 0.00 O ATOM 89 CB VAL A 6 -7.823 0.596 2.958 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.309 2.005 2.697 1.00 0.00 C ATOM 91 CG2 VAL A 6 -6.690 -0.419 2.789 1.00 0.00 C ATOM 0 H VAL A 6 -7.488 2.163 5.131 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.561 0.290 4.194 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.591 0.360 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.841 2.045 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.141 2.708 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.577 2.272 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.248 -0.310 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.927 -0.243 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.086 -1.428 2.900 1.00 0.00 H new ATOM 101 N GLY A 7 -8.130 -1.866 4.721 1.00 0.00 N ATOM 102 CA GLY A 7 -7.577 -3.025 5.386 1.00 0.00 C ATOM 103 C GLY A 7 -7.223 -4.103 4.390 1.00 0.00 C ATOM 104 O GLY A 7 -8.105 -4.670 3.745 1.00 0.00 O ATOM 0 H GLY A 7 -8.710 -2.077 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.688 -2.737 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.297 -3.413 6.107 1.00 0.00 H new ATOM 108 N ILE A 8 -5.934 -4.383 4.246 1.00 0.00 N ATOM 109 CA ILE A 8 -5.499 -5.396 3.300 1.00 0.00 C ATOM 110 C ILE A 8 -5.632 -6.794 3.904 1.00 0.00 C ATOM 111 O ILE A 8 -4.965 -7.128 4.884 1.00 0.00 O ATOM 112 CB ILE A 8 -4.039 -5.142 2.846 1.00 0.00 C ATOM 113 CG1 ILE A 8 -3.994 -3.999 1.828 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.415 -6.403 2.255 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.621 -2.659 2.428 1.00 0.00 C ATOM 0 H ILE A 8 -5.183 -3.929 4.765 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.145 -5.334 2.424 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.457 -4.860 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.276 -4.249 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.969 -3.913 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.391 -6.192 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.412 -7.194 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.996 -6.725 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.610 -1.900 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.352 -2.385 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.632 -2.726 2.882 1.00 0.00 H new ATOM 127 N THR A 9 -6.496 -7.603 3.301 1.00 0.00 N ATOM 128 CA THR A 9 -6.730 -8.972 3.754 1.00 0.00 C ATOM 129 C THR A 9 -7.278 -9.814 2.610 1.00 0.00 C ATOM 130 O THR A 9 -8.129 -9.342 1.862 1.00 0.00 O ATOM 131 CB THR A 9 -7.714 -8.984 4.923 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.340 -8.033 5.905 1.00 0.00 O ATOM 133 CG2 THR A 9 -7.818 -10.331 5.604 1.00 0.00 C ATOM 0 H THR A 9 -7.051 -7.332 2.489 1.00 0.00 H new ATOM 0 HA THR A 9 -5.782 -9.395 4.087 1.00 0.00 H new ATOM 0 HB THR A 9 -8.683 -8.740 4.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.983 -8.055 6.644 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.533 -10.270 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.154 -11.077 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.842 -10.618 5.994 1.00 0.00 H new ATOM 141 N ASP A 10 -6.792 -11.057 2.485 1.00 0.00 N ATOM 142 CA ASP A 10 -7.235 -11.983 1.428 1.00 0.00 C ATOM 143 C ASP A 10 -6.072 -12.456 0.551 1.00 0.00 C ATOM 144 O ASP A 10 -6.104 -13.575 0.039 1.00 0.00 O ATOM 145 CB ASP A 10 -8.301 -11.355 0.523 1.00 0.00 C ATOM 146 CG ASP A 10 -8.834 -12.329 -0.511 1.00 0.00 C ATOM 147 OD1 ASP A 10 -8.688 -13.552 -0.304 1.00 0.00 O ATOM 148 OD2 ASP A 10 -9.397 -11.868 -1.527 1.00 0.00 O ATOM 0 H ASP A 10 -6.086 -11.449 3.108 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.663 -12.838 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.126 -10.994 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.877 -10.488 0.016 1.00 0.00 H new ATOM 153 N PRO A 11 -5.038 -11.614 0.340 1.00 0.00 N ATOM 154 CA PRO A 11 -3.891 -11.966 -0.501 1.00 0.00 C ATOM 155 C PRO A 11 -3.472 -13.426 -0.382 1.00 0.00 C ATOM 156 O PRO A 11 -2.865 -13.843 0.603 1.00 0.00 O ATOM 157 CB PRO A 11 -2.815 -11.024 0.013 1.00 0.00 C ATOM 158 CG PRO A 11 -3.579 -9.782 0.305 1.00 0.00 C ATOM 159 CD PRO A 11 -4.893 -10.243 0.882 1.00 0.00 C ATOM 0 HA PRO A 11 -4.106 -11.861 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.325 -11.417 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.036 -10.855 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.042 -9.148 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.733 -9.194 -0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.877 -10.240 1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.716 -9.599 0.574 1.00 0.00 H new ATOM 167 N GLU A 12 -3.809 -14.187 -1.417 1.00 0.00 N ATOM 168 CA GLU A 12 -3.492 -15.605 -1.482 1.00 0.00 C ATOM 169 C GLU A 12 -3.049 -15.972 -2.894 1.00 0.00 C ATOM 170 O GLU A 12 -3.156 -15.161 -3.812 1.00 0.00 O ATOM 171 CB GLU A 12 -4.716 -16.432 -1.094 1.00 0.00 C ATOM 172 CG GLU A 12 -5.983 -16.007 -1.822 1.00 0.00 C ATOM 173 CD GLU A 12 -6.731 -17.180 -2.425 1.00 0.00 C ATOM 174 OE1 GLU A 12 -6.343 -17.631 -3.523 1.00 0.00 O ATOM 175 OE2 GLU A 12 -7.707 -17.646 -1.798 1.00 0.00 O ATOM 0 H GLU A 12 -4.310 -13.836 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.682 -15.819 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.518 -17.483 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.877 -16.348 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.638 -15.482 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.725 -15.301 -2.611 1.00 0.00 H new ATOM 182 N LYS A 13 -2.561 -17.192 -3.069 1.00 0.00 N ATOM 183 CA LYS A 13 -2.116 -17.644 -4.382 1.00 0.00 C ATOM 184 C LYS A 13 -3.307 -17.804 -5.320 1.00 0.00 C ATOM 185 O LYS A 13 -4.374 -18.263 -4.911 1.00 0.00 O ATOM 186 CB LYS A 13 -1.351 -18.958 -4.255 1.00 0.00 C ATOM 187 CG LYS A 13 -0.276 -19.138 -5.314 1.00 0.00 C ATOM 188 CD LYS A 13 1.118 -18.942 -4.734 1.00 0.00 C ATOM 189 CE LYS A 13 1.860 -20.262 -4.603 1.00 0.00 C ATOM 190 NZ LYS A 13 3.278 -20.149 -5.043 1.00 0.00 N ATOM 0 H LYS A 13 -2.463 -17.883 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.447 -16.894 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.890 -19.007 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.056 -19.787 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.354 -20.135 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.438 -18.426 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.687 -18.266 -5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.042 -18.468 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.827 -20.595 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.355 -21.023 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.749 -21.070 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.310 -19.856 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.768 -19.442 -4.459 1.00 0.00 H new ATOM 204 N ILE A 14 -3.128 -17.399 -6.575 1.00 0.00 N ATOM 205 CA ILE A 14 -4.202 -17.474 -7.561 1.00 0.00 C ATOM 206 C ILE A 14 -3.705 -18.032 -8.897 1.00 0.00 C ATOM 207 O ILE A 14 -4.342 -18.902 -9.490 1.00 0.00 O ATOM 208 CB ILE A 14 -4.828 -16.074 -7.777 1.00 0.00 C ATOM 209 CG1 ILE A 14 -5.910 -15.812 -6.728 1.00 0.00 C ATOM 210 CG2 ILE A 14 -5.401 -15.924 -9.180 1.00 0.00 C ATOM 211 CD1 ILE A 14 -5.408 -15.042 -5.526 1.00 0.00 C ATOM 0 H ILE A 14 -2.252 -17.017 -6.932 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.959 -18.155 -7.172 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.035 -15.334 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.727 -15.258 -7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.320 -16.765 -6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.831 -14.929 -9.293 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.607 -16.062 -9.914 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.176 -16.674 -9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.227 -14.891 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.611 -15.605 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.024 -14.074 -5.848 1.00 0.00 H new ATOM 223 N GLY A 15 -2.575 -17.509 -9.367 1.00 0.00 N ATOM 224 CA GLY A 15 -2.008 -17.944 -10.639 1.00 0.00 C ATOM 225 C GLY A 15 -2.134 -19.438 -10.886 1.00 0.00 C ATOM 226 O GLY A 15 -3.114 -19.893 -11.476 1.00 0.00 O ATOM 0 H GLY A 15 -2.037 -16.787 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.502 -17.408 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.954 -17.667 -10.670 1.00 0.00 H new ATOM 230 N ASP A 16 -1.130 -20.196 -10.439 1.00 0.00 N ATOM 231 CA ASP A 16 -1.098 -21.651 -10.607 1.00 0.00 C ATOM 232 C ASP A 16 -0.431 -22.030 -11.925 1.00 0.00 C ATOM 233 O ASP A 16 -1.097 -22.193 -12.947 1.00 0.00 O ATOM 234 CB ASP A 16 -2.506 -22.251 -10.538 1.00 0.00 C ATOM 235 CG ASP A 16 -2.489 -23.731 -10.212 1.00 0.00 C ATOM 236 OD1 ASP A 16 -1.923 -24.102 -9.162 1.00 0.00 O ATOM 237 OD2 ASP A 16 -3.042 -24.521 -11.007 1.00 0.00 O ATOM 0 H ASP A 16 -0.317 -19.819 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.511 -22.062 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.087 -21.722 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.010 -22.098 -11.492 1.00 0.00 H new ATOM 242 N GLY A 17 0.892 -22.167 -11.892 1.00 0.00 N ATOM 243 CA GLY A 17 1.634 -22.525 -13.086 1.00 0.00 C ATOM 244 C GLY A 17 3.131 -22.347 -12.915 1.00 0.00 C ATOM 245 O GLY A 17 3.796 -21.775 -13.777 1.00 0.00 O ATOM 0 H GLY A 17 1.463 -22.036 -11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.422 -23.563 -13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.291 -21.913 -13.920 1.00 0.00 H new ATOM 249 N MET A 18 3.662 -22.837 -11.798 1.00 0.00 N ATOM 250 CA MET A 18 5.090 -22.731 -11.511 1.00 0.00 C ATOM 251 C MET A 18 5.513 -21.270 -11.348 1.00 0.00 C ATOM 252 O MET A 18 6.691 -20.937 -11.477 1.00 0.00 O ATOM 253 CB MET A 18 5.908 -23.395 -12.621 1.00 0.00 C ATOM 254 CG MET A 18 6.219 -24.858 -12.356 1.00 0.00 C ATOM 255 SD MET A 18 7.661 -25.082 -11.297 1.00 0.00 S ATOM 256 CE MET A 18 6.899 -25.759 -9.824 1.00 0.00 C ATOM 0 H MET A 18 3.123 -23.313 -11.075 1.00 0.00 H new ATOM 0 HA MET A 18 5.282 -23.248 -10.571 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.363 -23.313 -13.561 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.844 -22.850 -12.746 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.354 -25.330 -11.890 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.388 -25.367 -13.305 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.672 -26.018 -9.100 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.228 -25.019 -9.389 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.333 -26.653 -10.085 1.00 0.00 H new ATOM 266 N ASN A 19 4.544 -20.408 -11.056 1.00 0.00 N ATOM 267 CA ASN A 19 4.805 -18.985 -10.865 1.00 0.00 C ATOM 268 C ASN A 19 3.514 -18.257 -10.510 1.00 0.00 C ATOM 269 O ASN A 19 3.218 -17.187 -11.043 1.00 0.00 O ATOM 270 CB ASN A 19 5.431 -18.376 -12.124 1.00 0.00 C ATOM 271 CG ASN A 19 4.510 -18.446 -13.327 1.00 0.00 C ATOM 272 OD1 ASN A 19 4.496 -19.439 -14.054 1.00 0.00 O ATOM 273 ND2 ASN A 19 3.740 -17.388 -13.548 1.00 0.00 N ATOM 0 H ASN A 19 3.565 -20.672 -10.946 1.00 0.00 H new ATOM 0 HA ASN A 19 5.511 -18.871 -10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.690 -17.335 -11.929 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.360 -18.898 -12.352 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.105 -17.377 -14.346 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.783 -16.586 -12.920 1.00 0.00 H new ATOM 280 N ALA A 20 2.745 -18.860 -9.611 1.00 0.00 N ATOM 281 CA ALA A 20 1.472 -18.299 -9.176 1.00 0.00 C ATOM 282 C ALA A 20 1.620 -16.877 -8.649 1.00 0.00 C ATOM 283 O ALA A 20 2.674 -16.491 -8.146 1.00 0.00 O ATOM 284 CB ALA A 20 0.849 -19.190 -8.112 1.00 0.00 C ATOM 0 H ALA A 20 2.984 -19.746 -9.166 1.00 0.00 H new ATOM 0 HA ALA A 20 0.818 -18.255 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.102 -18.764 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.681 -20.185 -8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.521 -19.260 -7.257 1.00 0.00 H new ATOM 290 N TYR A 21 0.539 -16.110 -8.760 1.00 0.00 N ATOM 291 CA TYR A 21 0.515 -14.731 -8.287 1.00 0.00 C ATOM 292 C TYR A 21 -0.584 -14.555 -7.252 1.00 0.00 C ATOM 293 O TYR A 21 -1.524 -15.347 -7.198 1.00 0.00 O ATOM 294 CB TYR A 21 0.279 -13.765 -9.453 1.00 0.00 C ATOM 295 CG TYR A 21 -1.087 -13.905 -10.097 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.243 -13.459 -9.455 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.221 -14.483 -11.354 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.484 -13.588 -10.050 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.459 -14.613 -11.954 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.587 -14.165 -11.298 1.00 0.00 C ATOM 301 OH TYR A 21 -4.821 -14.293 -11.894 1.00 0.00 O ATOM 0 H TYR A 21 -0.337 -16.424 -9.177 1.00 0.00 H new ATOM 0 HA TYR A 21 1.481 -14.507 -7.833 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.399 -12.742 -9.095 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.046 -13.930 -10.210 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.167 -13.006 -8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.341 -14.837 -11.871 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.369 -13.238 -9.539 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.543 -15.063 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.718 -14.719 -12.771 1.00 0.00 H new ATOM 311 N VAL A 22 -0.478 -13.512 -6.439 1.00 0.00 N ATOM 312 CA VAL A 22 -1.491 -13.256 -5.431 1.00 0.00 C ATOM 313 C VAL A 22 -2.289 -12.006 -5.758 1.00 0.00 C ATOM 314 O VAL A 22 -1.807 -11.088 -6.420 1.00 0.00 O ATOM 315 CB VAL A 22 -0.900 -13.118 -4.014 1.00 0.00 C ATOM 316 CG1 VAL A 22 -1.975 -12.651 -3.035 1.00 0.00 C ATOM 317 CG2 VAL A 22 -0.293 -14.439 -3.560 1.00 0.00 C ATOM 0 H VAL A 22 0.289 -12.840 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.148 -14.126 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.108 -12.369 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.544 -12.558 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.363 -11.684 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.787 -13.378 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.120 -14.324 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.064 -15.209 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.501 -14.730 -4.248 1.00 0.00 H new ATOM 327 N ALA A 23 -3.520 -12.000 -5.283 1.00 0.00 N ATOM 328 CA ALA A 23 -4.440 -10.905 -5.493 1.00 0.00 C ATOM 329 C ALA A 23 -4.627 -10.096 -4.213 1.00 0.00 C ATOM 330 O ALA A 23 -4.875 -10.661 -3.150 1.00 0.00 O ATOM 331 CB ALA A 23 -5.750 -11.493 -5.937 1.00 0.00 C ATOM 0 H ALA A 23 -3.911 -12.766 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.047 -10.226 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.470 -10.692 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.604 -12.050 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.128 -12.164 -5.166 1.00 0.00 H new ATOM 337 N TYR A 24 -4.510 -8.776 -4.311 1.00 0.00 N ATOM 338 CA TYR A 24 -4.666 -7.917 -3.142 1.00 0.00 C ATOM 339 C TYR A 24 -6.088 -7.384 -3.016 1.00 0.00 C ATOM 340 O TYR A 24 -6.632 -6.797 -3.951 1.00 0.00 O ATOM 341 CB TYR A 24 -3.682 -6.750 -3.196 1.00 0.00 C ATOM 342 CG TYR A 24 -2.295 -7.117 -2.730 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.501 -7.985 -3.466 1.00 0.00 C ATOM 344 CD2 TYR A 24 -1.784 -6.598 -1.550 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.233 -8.328 -3.038 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.516 -6.934 -1.115 1.00 0.00 C ATOM 347 CZ TYR A 24 0.255 -7.799 -1.861 1.00 0.00 C ATOM 348 OH TYR A 24 1.517 -8.135 -1.432 1.00 0.00 O ATOM 0 H TYR A 24 -4.309 -8.281 -5.180 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.454 -8.528 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.627 -6.377 -4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.061 -5.935 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.880 -8.399 -4.388 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.386 -5.921 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.372 -9.006 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.131 -6.521 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 24 2.008 -8.564 -2.164 1.00 0.00 H new ATOM 358 N LYS A 25 -6.675 -7.583 -1.841 1.00 0.00 N ATOM 359 CA LYS A 25 -8.025 -7.115 -1.563 1.00 0.00 C ATOM 360 C LYS A 25 -7.971 -5.875 -0.678 1.00 0.00 C ATOM 361 O LYS A 25 -7.993 -5.972 0.549 1.00 0.00 O ATOM 362 CB LYS A 25 -8.833 -8.219 -0.878 1.00 0.00 C ATOM 363 CG LYS A 25 -10.210 -7.777 -0.407 1.00 0.00 C ATOM 364 CD LYS A 25 -11.095 -7.386 -1.577 1.00 0.00 C ATOM 365 CE LYS A 25 -11.713 -8.607 -2.240 1.00 0.00 C ATOM 366 NZ LYS A 25 -12.747 -9.245 -1.379 1.00 0.00 N ATOM 0 H LYS A 25 -6.232 -8.069 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.513 -6.857 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.948 -9.054 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.269 -8.590 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.681 -8.584 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.110 -6.932 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.885 -6.720 -1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.508 -6.831 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.161 -8.316 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.931 -9.332 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.338 -9.877 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.283 -9.795 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.344 -8.509 -0.950 1.00 0.00 H new ATOM 380 N VAL A 26 -7.885 -4.711 -1.310 1.00 0.00 N ATOM 381 CA VAL A 26 -7.811 -3.449 -0.586 1.00 0.00 C ATOM 382 C VAL A 26 -9.197 -2.857 -0.355 1.00 0.00 C ATOM 383 O VAL A 26 -9.747 -2.183 -1.224 1.00 0.00 O ATOM 384 CB VAL A 26 -6.940 -2.430 -1.346 1.00 0.00 C ATOM 385 CG1 VAL A 26 -6.791 -1.144 -0.548 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.580 -3.032 -1.670 1.00 0.00 C ATOM 0 H VAL A 26 -7.865 -4.615 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.356 -3.660 0.382 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.437 -2.184 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.172 -0.440 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.774 -0.706 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.319 -1.363 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.977 -2.300 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.075 -3.310 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.713 -3.918 -2.291 1.00 0.00 H new ATOM 396 N THR A 27 -9.754 -3.114 0.825 1.00 0.00 N ATOM 397 CA THR A 27 -11.078 -2.608 1.172 1.00 0.00 C ATOM 398 C THR A 27 -10.989 -1.214 1.785 1.00 0.00 C ATOM 399 O THR A 27 -10.969 -1.063 3.006 1.00 0.00 O ATOM 400 CB THR A 27 -11.773 -3.561 2.145 1.00 0.00 C ATOM 401 OG1 THR A 27 -11.879 -4.859 1.586 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.167 -3.113 2.532 1.00 0.00 C ATOM 0 H THR A 27 -9.310 -3.669 1.556 1.00 0.00 H new ATOM 0 HA THR A 27 -11.664 -2.544 0.255 1.00 0.00 H new ATOM 0 HB THR A 27 -11.149 -3.565 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.325 -5.455 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.602 -3.834 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.115 -2.136 3.012 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.789 -3.046 1.639 1.00 0.00 H new ATOM 410 N THR A 28 -10.944 -0.200 0.929 1.00 0.00 N ATOM 411 CA THR A 28 -10.865 1.182 1.386 1.00 0.00 C ATOM 412 C THR A 28 -12.258 1.725 1.681 1.00 0.00 C ATOM 413 O THR A 28 -13.225 1.390 0.998 1.00 0.00 O ATOM 414 CB THR A 28 -10.172 2.050 0.334 1.00 0.00 C ATOM 415 OG1 THR A 28 -8.847 1.602 0.109 1.00 0.00 O ATOM 416 CG2 THR A 28 -10.103 3.514 0.711 1.00 0.00 C ATOM 0 H THR A 28 -10.961 -0.309 -0.085 1.00 0.00 H new ATOM 0 HA THR A 28 -10.279 1.210 2.305 1.00 0.00 H new ATOM 0 HB THR A 28 -10.782 1.953 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.421 2.168 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.599 4.070 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.112 3.904 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.547 3.624 1.642 1.00 0.00 H new ATOM 424 N GLN A 29 -12.356 2.567 2.705 1.00 0.00 N ATOM 425 CA GLN A 29 -13.635 3.151 3.084 1.00 0.00 C ATOM 426 C GLN A 29 -13.482 4.613 3.468 1.00 0.00 C ATOM 427 O GLN A 29 -12.670 4.965 4.323 1.00 0.00 O ATOM 428 CB GLN A 29 -14.269 2.382 4.245 1.00 0.00 C ATOM 429 CG GLN A 29 -13.261 1.766 5.200 1.00 0.00 C ATOM 430 CD GLN A 29 -13.899 0.801 6.181 1.00 0.00 C ATOM 431 OE1 GLN A 29 -14.884 1.131 6.843 1.00 0.00 O ATOM 432 NE2 GLN A 29 -13.341 -0.400 6.279 1.00 0.00 N ATOM 0 H GLN A 29 -11.568 2.858 3.284 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.289 3.083 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.918 3.057 4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.902 1.592 3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.496 1.242 4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.758 2.560 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.526 -0.631 5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.728 -1.091 6.922 1.00 0.00 H new ATOM 441 N THR A 30 -14.285 5.454 2.836 1.00 0.00 N ATOM 442 CA THR A 30 -14.266 6.882 3.109 1.00 0.00 C ATOM 443 C THR A 30 -15.589 7.512 2.699 1.00 0.00 C ATOM 444 O THR A 30 -15.827 7.781 1.522 1.00 0.00 O ATOM 445 CB THR A 30 -13.114 7.552 2.366 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.211 8.962 2.455 1.00 0.00 O ATOM 447 CG2 THR A 30 -13.070 7.182 0.904 1.00 0.00 C ATOM 0 H THR A 30 -14.961 5.170 2.127 1.00 0.00 H new ATOM 0 HA THR A 30 -14.121 7.028 4.179 1.00 0.00 H new ATOM 0 HB THR A 30 -12.203 7.195 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.688 9.278 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.231 7.687 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.948 6.103 0.805 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.999 7.488 0.423 1.00 0.00 H new ATOM 455 N SER A 31 -16.444 7.741 3.684 1.00 0.00 N ATOM 456 CA SER A 31 -17.752 8.339 3.445 1.00 0.00 C ATOM 457 C SER A 31 -17.611 9.707 2.786 1.00 0.00 C ATOM 458 O SER A 31 -18.512 10.169 2.087 1.00 0.00 O ATOM 459 CB SER A 31 -18.522 8.472 4.759 1.00 0.00 C ATOM 460 OG SER A 31 -18.597 7.229 5.435 1.00 0.00 O ATOM 0 H SER A 31 -16.256 7.521 4.662 1.00 0.00 H new ATOM 0 HA SER A 31 -18.306 7.685 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.033 9.208 5.398 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.528 8.842 4.559 1.00 0.00 H new ATOM 0 HG SER A 31 -19.093 7.342 6.273 1.00 0.00 H new ATOM 466 N LEU A 32 -16.473 10.349 3.019 1.00 0.00 N ATOM 467 CA LEU A 32 -16.204 11.665 2.456 1.00 0.00 C ATOM 468 C LEU A 32 -16.291 11.644 0.931 1.00 0.00 C ATOM 469 O LEU A 32 -16.000 10.630 0.297 1.00 0.00 O ATOM 470 CB LEU A 32 -14.818 12.143 2.888 1.00 0.00 C ATOM 471 CG LEU A 32 -14.772 12.858 4.240 1.00 0.00 C ATOM 472 CD1 LEU A 32 -14.374 11.887 5.342 1.00 0.00 C ATOM 473 CD2 LEU A 32 -13.812 14.038 4.189 1.00 0.00 C ATOM 0 H LEU A 32 -15.719 9.977 3.597 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.961 12.353 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.149 11.283 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.428 12.816 2.125 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.768 13.239 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.346 12.412 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.102 11.077 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.388 11.475 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.793 14.534 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.811 13.683 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.143 14.744 3.427 1.00 0.00 H new ATOM 485 N PRO A 33 -16.692 12.774 0.323 1.00 0.00 N ATOM 486 CA PRO A 33 -16.811 12.888 -1.134 1.00 0.00 C ATOM 487 C PRO A 33 -15.447 12.877 -1.819 1.00 0.00 C ATOM 488 O PRO A 33 -14.467 12.392 -1.253 1.00 0.00 O ATOM 489 CB PRO A 33 -17.504 14.242 -1.325 1.00 0.00 C ATOM 490 CG PRO A 33 -17.145 15.025 -0.111 1.00 0.00 C ATOM 491 CD PRO A 33 -17.053 14.028 1.010 1.00 0.00 C ATOM 0 HA PRO A 33 -17.357 12.053 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -17.160 14.738 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.584 14.125 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -16.198 15.547 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -17.898 15.783 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.299 14.316 1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -17.999 13.936 1.544 1.00 0.00 H new ATOM 499 N LEU A 34 -15.389 13.413 -3.038 1.00 0.00 N ATOM 500 CA LEU A 34 -14.143 13.468 -3.804 1.00 0.00 C ATOM 501 C LEU A 34 -13.852 12.132 -4.479 1.00 0.00 C ATOM 502 O LEU A 34 -13.718 12.061 -5.701 1.00 0.00 O ATOM 503 CB LEU A 34 -12.964 13.870 -2.909 1.00 0.00 C ATOM 504 CG LEU A 34 -13.274 14.959 -1.876 1.00 0.00 C ATOM 505 CD1 LEU A 34 -12.799 14.537 -0.492 1.00 0.00 C ATOM 506 CD2 LEU A 34 -12.633 16.278 -2.280 1.00 0.00 C ATOM 0 H LEU A 34 -16.193 13.817 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.269 14.226 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.608 12.984 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.147 14.215 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.354 15.098 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.028 15.324 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.306 13.618 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.723 14.367 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.864 17.039 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.552 16.152 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.022 16.590 -3.249 1.00 0.00 H new ATOM 518 N PHE A 35 -13.749 11.074 -3.679 1.00 0.00 N ATOM 519 CA PHE A 35 -13.467 9.746 -4.212 1.00 0.00 C ATOM 520 C PHE A 35 -14.145 8.660 -3.383 1.00 0.00 C ATOM 521 O PHE A 35 -14.508 8.880 -2.226 1.00 0.00 O ATOM 522 CB PHE A 35 -11.958 9.502 -4.248 1.00 0.00 C ATOM 523 CG PHE A 35 -11.308 9.947 -5.527 1.00 0.00 C ATOM 524 CD1 PHE A 35 -11.861 9.615 -6.753 1.00 0.00 C ATOM 525 CD2 PHE A 35 -10.143 10.697 -5.502 1.00 0.00 C ATOM 526 CE1 PHE A 35 -11.266 10.023 -7.931 1.00 0.00 C ATOM 527 CE2 PHE A 35 -9.542 11.108 -6.677 1.00 0.00 C ATOM 528 CZ PHE A 35 -10.104 10.771 -7.893 1.00 0.00 C ATOM 0 H PHE A 35 -13.856 11.110 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.866 9.701 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -11.494 10.026 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.767 8.439 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.768 9.030 -6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.700 10.963 -4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -11.708 9.758 -8.880 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.634 11.692 -6.644 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.636 11.091 -8.812 1.00 0.00 H new ATOM 538 N ARG A 36 -14.303 7.483 -3.983 1.00 0.00 N ATOM 539 CA ARG A 36 -14.928 6.347 -3.310 1.00 0.00 C ATOM 540 C ARG A 36 -16.403 6.615 -3.025 1.00 0.00 C ATOM 541 O ARG A 36 -17.281 6.022 -3.652 1.00 0.00 O ATOM 542 CB ARG A 36 -14.194 6.025 -2.005 1.00 0.00 C ATOM 543 CG ARG A 36 -12.684 6.184 -2.095 1.00 0.00 C ATOM 544 CD ARG A 36 -12.099 5.352 -3.226 1.00 0.00 C ATOM 545 NE ARG A 36 -11.215 6.139 -4.083 1.00 0.00 N ATOM 546 CZ ARG A 36 -10.084 6.704 -3.665 1.00 0.00 C ATOM 547 NH1 ARG A 36 -9.693 6.569 -2.403 1.00 0.00 N ATOM 548 NH2 ARG A 36 -9.341 7.403 -4.511 1.00 0.00 N ATOM 0 H ARG A 36 -14.005 7.290 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.859 5.488 -3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.572 6.675 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.425 5.001 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.437 7.234 -2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.229 5.886 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.545 4.511 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.908 4.935 -3.825 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.480 6.263 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.260 6.030 -1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.826 7.004 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.636 7.508 -5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.475 7.836 -4.191 1.00 0.00 H new ATOM 562 N SER A 37 -16.670 7.506 -2.072 1.00 0.00 N ATOM 563 CA SER A 37 -18.039 7.847 -1.698 1.00 0.00 C ATOM 564 C SER A 37 -18.736 6.661 -1.036 1.00 0.00 C ATOM 565 O SER A 37 -19.000 6.675 0.166 1.00 0.00 O ATOM 566 CB SER A 37 -18.833 8.304 -2.925 1.00 0.00 C ATOM 567 OG SER A 37 -20.106 8.806 -2.551 1.00 0.00 O ATOM 0 H SER A 37 -15.954 8.005 -1.544 1.00 0.00 H new ATOM 0 HA SER A 37 -17.996 8.666 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.276 9.076 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.956 7.469 -3.614 1.00 0.00 H new ATOM 0 HG SER A 37 -20.593 9.093 -3.352 1.00 0.00 H new ATOM 573 N LYS A 38 -19.029 5.633 -1.827 1.00 0.00 N ATOM 574 CA LYS A 38 -19.692 4.436 -1.318 1.00 0.00 C ATOM 575 C LYS A 38 -18.674 3.358 -0.941 1.00 0.00 C ATOM 576 O LYS A 38 -19.041 2.210 -0.696 1.00 0.00 O ATOM 577 CB LYS A 38 -20.674 3.901 -2.367 1.00 0.00 C ATOM 578 CG LYS A 38 -21.516 2.721 -1.897 1.00 0.00 C ATOM 579 CD LYS A 38 -22.299 3.045 -0.633 1.00 0.00 C ATOM 580 CE LYS A 38 -22.156 1.946 0.410 1.00 0.00 C ATOM 581 NZ LYS A 38 -21.369 2.398 1.590 1.00 0.00 N ATOM 0 H LYS A 38 -18.818 5.605 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.242 4.704 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.340 4.709 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.113 3.602 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.208 2.432 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.868 1.864 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.947 3.990 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.352 3.178 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -23.145 1.624 0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.671 1.080 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.237 1.601 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.440 2.745 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.879 3.164 2.075 1.00 0.00 H new ATOM 595 N GLN A 39 -17.395 3.739 -0.893 1.00 0.00 N ATOM 596 CA GLN A 39 -16.313 2.816 -0.544 1.00 0.00 C ATOM 597 C GLN A 39 -16.355 1.546 -1.392 1.00 0.00 C ATOM 598 O GLN A 39 -17.328 1.289 -2.099 1.00 0.00 O ATOM 599 CB GLN A 39 -16.363 2.459 0.947 1.00 0.00 C ATOM 600 CG GLN A 39 -17.502 1.527 1.334 1.00 0.00 C ATOM 601 CD GLN A 39 -17.164 0.662 2.532 1.00 0.00 C ATOM 602 OE1 GLN A 39 -16.075 -0.092 2.427 1.00 0.00 O flip ATOM 603 NE2 GLN A 39 -17.870 0.672 3.539 1.00 0.00 N flip ATOM 0 H GLN A 39 -17.082 4.689 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.373 3.326 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -15.418 1.994 1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.450 3.379 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.391 2.118 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -17.748 0.888 0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -18.698 1.267 3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -17.628 0.085 4.337 1.00 0.00 H new ATOM 612 N PHE A 40 -15.287 0.754 -1.311 1.00 0.00 N ATOM 613 CA PHE A 40 -15.193 -0.497 -2.066 1.00 0.00 C ATOM 614 C PHE A 40 -13.780 -1.074 -2.004 1.00 0.00 C ATOM 615 O PHE A 40 -12.989 -0.713 -1.132 1.00 0.00 O ATOM 616 CB PHE A 40 -15.599 -0.286 -3.527 1.00 0.00 C ATOM 617 CG PHE A 40 -14.973 0.927 -4.155 1.00 0.00 C ATOM 618 CD1 PHE A 40 -13.635 0.924 -4.513 1.00 0.00 C ATOM 619 CD2 PHE A 40 -15.724 2.069 -4.386 1.00 0.00 C ATOM 620 CE1 PHE A 40 -13.056 2.038 -5.091 1.00 0.00 C ATOM 621 CE2 PHE A 40 -15.150 3.186 -4.963 1.00 0.00 C ATOM 622 CZ PHE A 40 -13.814 3.171 -5.316 1.00 0.00 C ATOM 0 H PHE A 40 -14.473 0.956 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 40 -15.881 -1.207 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.321 -1.168 -4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -16.684 -0.196 -3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.038 0.041 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -16.769 2.086 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.012 2.023 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -15.745 4.070 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.363 4.043 -5.767 1.00 0.00 H new ATOM 632 N ALA A 41 -13.474 -1.982 -2.930 1.00 0.00 N ATOM 633 CA ALA A 41 -12.169 -2.621 -2.977 1.00 0.00 C ATOM 634 C ALA A 41 -11.731 -2.881 -4.415 1.00 0.00 C ATOM 635 O ALA A 41 -12.551 -2.872 -5.334 1.00 0.00 O ATOM 636 CB ALA A 41 -12.226 -3.920 -2.200 1.00 0.00 C ATOM 0 H ALA A 41 -14.118 -2.289 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.434 -1.954 -2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.251 -4.405 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.496 -3.713 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.973 -4.578 -2.645 1.00 0.00 H new ATOM 642 N VAL A 42 -10.436 -3.118 -4.606 1.00 0.00 N ATOM 643 CA VAL A 42 -9.899 -3.387 -5.936 1.00 0.00 C ATOM 644 C VAL A 42 -8.958 -4.590 -5.920 1.00 0.00 C ATOM 645 O VAL A 42 -8.337 -4.888 -4.901 1.00 0.00 O ATOM 646 CB VAL A 42 -9.148 -2.159 -6.505 1.00 0.00 C ATOM 647 CG1 VAL A 42 -9.947 -0.887 -6.269 1.00 0.00 C ATOM 648 CG2 VAL A 42 -7.753 -2.040 -5.899 1.00 0.00 C ATOM 0 H VAL A 42 -9.741 -3.129 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.751 -3.608 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.036 -2.301 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.403 -0.035 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.915 -0.969 -6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.097 -0.745 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.248 -1.169 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.834 -1.929 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.179 -2.937 -6.129 1.00 0.00 H new ATOM 658 N LYS A 43 -8.846 -5.265 -7.059 1.00 0.00 N ATOM 659 CA LYS A 43 -7.964 -6.421 -7.172 1.00 0.00 C ATOM 660 C LYS A 43 -6.684 -6.037 -7.906 1.00 0.00 C ATOM 661 O LYS A 43 -6.723 -5.613 -9.061 1.00 0.00 O ATOM 662 CB LYS A 43 -8.666 -7.566 -7.911 1.00 0.00 C ATOM 663 CG LYS A 43 -9.162 -8.674 -6.996 1.00 0.00 C ATOM 664 CD LYS A 43 -10.375 -8.236 -6.199 1.00 0.00 C ATOM 665 CE LYS A 43 -9.972 -7.661 -4.853 1.00 0.00 C ATOM 666 NZ LYS A 43 -10.707 -6.404 -4.545 1.00 0.00 N ATOM 0 H LYS A 43 -9.352 -5.033 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.711 -6.759 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.511 -7.162 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.977 -7.991 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.414 -9.552 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.364 -8.968 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.933 -7.489 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.041 -9.086 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.166 -8.396 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.900 -7.465 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.089 -5.763 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.995 -5.944 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.552 -6.625 -3.980 1.00 0.00 H new ATOM 680 N ARG A 44 -5.553 -6.183 -7.228 1.00 0.00 N ATOM 681 CA ARG A 44 -4.265 -5.847 -7.818 1.00 0.00 C ATOM 682 C ARG A 44 -3.196 -6.855 -7.417 1.00 0.00 C ATOM 683 O ARG A 44 -2.972 -7.100 -6.232 1.00 0.00 O ATOM 684 CB ARG A 44 -3.838 -4.445 -7.387 1.00 0.00 C ATOM 685 CG ARG A 44 -3.834 -4.250 -5.880 1.00 0.00 C ATOM 686 CD ARG A 44 -4.439 -2.913 -5.484 1.00 0.00 C ATOM 687 NE ARG A 44 -3.777 -1.790 -6.144 1.00 0.00 N ATOM 688 CZ ARG A 44 -4.206 -1.219 -7.270 1.00 0.00 C ATOM 689 NH1 ARG A 44 -5.325 -1.629 -7.856 1.00 0.00 N ATOM 690 NH2 ARG A 44 -3.515 -0.225 -7.807 1.00 0.00 N ATOM 0 H ARG A 44 -5.502 -6.531 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.375 -5.876 -8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.839 -4.243 -7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.509 -3.714 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.394 -5.057 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.811 -4.311 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.499 -2.907 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.368 -2.790 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.930 -1.418 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.867 -2.389 -7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.642 -1.184 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.658 0.101 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.839 0.215 -8.668 1.00 0.00 H new ATOM 704 N ARG A 45 -2.530 -7.429 -8.411 1.00 0.00 N ATOM 705 CA ARG A 45 -1.476 -8.400 -8.156 1.00 0.00 C ATOM 706 C ARG A 45 -0.343 -7.756 -7.361 1.00 0.00 C ATOM 707 O ARG A 45 -0.444 -6.601 -6.950 1.00 0.00 O ATOM 708 CB ARG A 45 -0.940 -8.964 -9.475 1.00 0.00 C ATOM 709 CG ARG A 45 -0.713 -7.904 -10.542 1.00 0.00 C ATOM 710 CD ARG A 45 -1.820 -7.917 -11.587 1.00 0.00 C ATOM 711 NE ARG A 45 -1.298 -7.713 -12.936 1.00 0.00 N ATOM 712 CZ ARG A 45 -0.722 -8.669 -13.660 1.00 0.00 C ATOM 713 NH1 ARG A 45 -0.594 -9.896 -13.170 1.00 0.00 N ATOM 714 NH2 ARG A 45 -0.274 -8.397 -14.878 1.00 0.00 N ATOM 0 H ARG A 45 -2.701 -7.239 -9.398 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.894 -9.219 -7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.000 -9.482 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.642 -9.706 -9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.664 -6.921 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.248 -8.074 -11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.350 -8.869 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.546 -7.137 -11.357 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.380 -6.783 -13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.938 -10.110 -12.234 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.152 -10.625 -13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.371 -7.456 -15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.168 -9.129 -15.434 1.00 0.00 H new ATOM 728 N PHE A 46 0.732 -8.505 -7.145 1.00 0.00 N ATOM 729 CA PHE A 46 1.876 -7.998 -6.396 1.00 0.00 C ATOM 730 C PHE A 46 2.562 -6.855 -7.143 1.00 0.00 C ATOM 731 O PHE A 46 3.016 -5.886 -6.533 1.00 0.00 O ATOM 732 CB PHE A 46 2.878 -9.124 -6.134 1.00 0.00 C ATOM 733 CG PHE A 46 2.865 -9.624 -4.717 1.00 0.00 C ATOM 734 CD1 PHE A 46 3.665 -9.032 -3.752 1.00 0.00 C ATOM 735 CD2 PHE A 46 2.053 -10.686 -4.349 1.00 0.00 C ATOM 736 CE1 PHE A 46 3.654 -9.489 -2.448 1.00 0.00 C ATOM 737 CE2 PHE A 46 2.038 -11.147 -3.047 1.00 0.00 C ATOM 738 CZ PHE A 46 2.841 -10.548 -2.095 1.00 0.00 C ATOM 0 H PHE A 46 0.836 -9.464 -7.477 1.00 0.00 H new ATOM 0 HA PHE A 46 1.510 -7.614 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.662 -9.955 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.880 -8.771 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.304 -8.204 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.425 -11.159 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.281 -9.018 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.400 -11.974 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.833 -10.908 -1.077 1.00 0.00 H new ATOM 748 N SER A 47 2.642 -6.981 -8.463 1.00 0.00 N ATOM 749 CA SER A 47 3.284 -5.965 -9.295 1.00 0.00 C ATOM 750 C SER A 47 2.474 -4.671 -9.334 1.00 0.00 C ATOM 751 O SER A 47 3.035 -3.577 -9.272 1.00 0.00 O ATOM 752 CB SER A 47 3.482 -6.497 -10.716 1.00 0.00 C ATOM 753 OG SER A 47 3.786 -5.446 -11.616 1.00 0.00 O ATOM 0 H SER A 47 2.271 -7.777 -8.982 1.00 0.00 H new ATOM 0 HA SER A 47 4.254 -5.740 -8.851 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.288 -7.231 -10.724 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.579 -7.011 -11.044 1.00 0.00 H new ATOM 0 HG SER A 47 3.909 -5.812 -12.517 1.00 0.00 H new ATOM 759 N ASP A 48 1.156 -4.799 -9.449 1.00 0.00 N ATOM 760 CA ASP A 48 0.274 -3.635 -9.511 1.00 0.00 C ATOM 761 C ASP A 48 0.502 -2.698 -8.325 1.00 0.00 C ATOM 762 O ASP A 48 0.698 -1.496 -8.503 1.00 0.00 O ATOM 763 CB ASP A 48 -1.188 -4.081 -9.550 1.00 0.00 C ATOM 764 CG ASP A 48 -1.653 -4.418 -10.953 1.00 0.00 C ATOM 765 OD1 ASP A 48 -1.025 -5.284 -11.595 1.00 0.00 O ATOM 766 OD2 ASP A 48 -2.645 -3.813 -11.410 1.00 0.00 O ATOM 0 H ASP A 48 0.674 -5.696 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 48 0.509 -3.088 -10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.316 -4.953 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.817 -3.290 -9.142 1.00 0.00 H new ATOM 771 N PHE A 49 0.478 -3.253 -7.118 1.00 0.00 N ATOM 772 CA PHE A 49 0.685 -2.461 -5.909 1.00 0.00 C ATOM 773 C PHE A 49 2.141 -2.020 -5.792 1.00 0.00 C ATOM 774 O PHE A 49 2.445 -0.989 -5.190 1.00 0.00 O ATOM 775 CB PHE A 49 0.280 -3.259 -4.670 1.00 0.00 C ATOM 776 CG PHE A 49 -0.374 -2.421 -3.609 1.00 0.00 C ATOM 777 CD1 PHE A 49 0.332 -1.410 -2.976 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.692 -2.641 -3.248 1.00 0.00 C ATOM 779 CE1 PHE A 49 -0.266 -0.635 -2.001 1.00 0.00 C ATOM 780 CE2 PHE A 49 -2.296 -1.870 -2.273 1.00 0.00 C ATOM 781 CZ PHE A 49 -1.582 -0.865 -1.649 1.00 0.00 C ATOM 0 H PHE A 49 0.318 -4.246 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 49 0.058 -1.572 -5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.403 -4.055 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.164 -3.738 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.361 -1.226 -3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.255 -3.424 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.295 0.150 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.325 -2.053 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.052 -0.260 -0.887 1.00 0.00 H new ATOM 791 N LEU A 50 3.036 -2.810 -6.373 1.00 0.00 N ATOM 792 CA LEU A 50 4.464 -2.518 -6.344 1.00 0.00 C ATOM 793 C LEU A 50 4.758 -1.127 -6.903 1.00 0.00 C ATOM 794 O LEU A 50 5.709 -0.471 -6.484 1.00 0.00 O ATOM 795 CB LEU A 50 5.243 -3.579 -7.125 1.00 0.00 C ATOM 796 CG LEU A 50 6.243 -4.385 -6.291 1.00 0.00 C ATOM 797 CD1 LEU A 50 5.707 -5.781 -6.010 1.00 0.00 C ATOM 798 CD2 LEU A 50 7.592 -4.461 -6.991 1.00 0.00 C ATOM 0 H LEU A 50 2.795 -3.665 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 50 4.787 -2.538 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.533 -4.269 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.780 -3.090 -7.938 1.00 0.00 H new ATOM 0 HG LEU A 50 6.381 -3.873 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.433 -6.337 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.769 -5.707 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.535 -6.301 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.287 -5.038 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.472 -4.945 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.985 -3.454 -7.134 1.00 0.00 H new ATOM 810 N GLY A 51 3.953 -0.688 -7.864 1.00 0.00 N ATOM 811 CA GLY A 51 4.165 0.615 -8.472 1.00 0.00 C ATOM 812 C GLY A 51 4.381 1.725 -7.456 1.00 0.00 C ATOM 813 O GLY A 51 5.229 2.592 -7.655 1.00 0.00 O ATOM 0 H GLY A 51 3.158 -1.209 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.030 0.563 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.304 0.863 -9.093 1.00 0.00 H new ATOM 817 N LEU A 52 3.623 1.699 -6.366 1.00 0.00 N ATOM 818 CA LEU A 52 3.750 2.710 -5.324 1.00 0.00 C ATOM 819 C LEU A 52 4.869 2.356 -4.373 1.00 0.00 C ATOM 820 O LEU A 52 5.807 3.126 -4.167 1.00 0.00 O ATOM 821 CB LEU A 52 2.444 2.832 -4.545 1.00 0.00 C ATOM 822 CG LEU A 52 1.233 3.240 -5.375 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.157 3.827 -4.475 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.646 4.227 -6.458 1.00 0.00 C ATOM 0 H LEU A 52 2.914 0.989 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 52 3.977 3.663 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.233 1.875 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.581 3.562 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 52 0.820 2.358 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.704 4.115 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.148 3.083 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.551 4.704 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.772 4.511 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.077 5.115 -5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.385 3.763 -7.111 1.00 0.00 H new ATOM 836 N TYR A 53 4.745 1.179 -3.790 1.00 0.00 N ATOM 837 CA TYR A 53 5.729 0.691 -2.837 1.00 0.00 C ATOM 838 C TYR A 53 7.137 0.749 -3.433 1.00 0.00 C ATOM 839 O TYR A 53 8.095 1.113 -2.754 1.00 0.00 O ATOM 840 CB TYR A 53 5.383 -0.743 -2.412 1.00 0.00 C ATOM 841 CG TYR A 53 6.554 -1.521 -1.847 1.00 0.00 C ATOM 842 CD1 TYR A 53 6.857 -1.473 -0.493 1.00 0.00 C ATOM 843 CD2 TYR A 53 7.353 -2.302 -2.673 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.927 -2.182 0.024 1.00 0.00 C ATOM 845 CE2 TYR A 53 8.423 -3.013 -2.164 1.00 0.00 C ATOM 846 CZ TYR A 53 8.705 -2.950 -0.815 1.00 0.00 C ATOM 847 OH TYR A 53 9.771 -3.655 -0.305 1.00 0.00 O ATOM 0 H TYR A 53 3.969 0.539 -3.959 1.00 0.00 H new ATOM 0 HA TYR A 53 5.708 1.334 -1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.590 -0.708 -1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.986 -1.280 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.248 -0.873 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.134 -2.354 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.151 -2.134 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.035 -3.615 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 53 10.215 -4.146 -1.028 1.00 0.00 H new ATOM 857 N GLU A 54 7.247 0.392 -4.706 1.00 0.00 N ATOM 858 CA GLU A 54 8.530 0.408 -5.400 1.00 0.00 C ATOM 859 C GLU A 54 8.940 1.833 -5.772 1.00 0.00 C ATOM 860 O GLU A 54 10.083 2.236 -5.557 1.00 0.00 O ATOM 861 CB GLU A 54 8.460 -0.459 -6.659 1.00 0.00 C ATOM 862 CG GLU A 54 9.807 -1.018 -7.088 1.00 0.00 C ATOM 863 CD GLU A 54 9.683 -2.043 -8.199 1.00 0.00 C ATOM 864 OE1 GLU A 54 9.395 -1.643 -9.347 1.00 0.00 O ATOM 865 OE2 GLU A 54 9.873 -3.246 -7.921 1.00 0.00 O ATOM 0 H GLU A 54 6.462 0.087 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 54 9.282 0.002 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.772 -1.286 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.045 0.133 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.446 -0.201 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.297 -1.476 -6.229 1.00 0.00 H new ATOM 872 N LYS A 55 8.002 2.586 -6.341 1.00 0.00 N ATOM 873 CA LYS A 55 8.267 3.962 -6.755 1.00 0.00 C ATOM 874 C LYS A 55 8.649 4.840 -5.568 1.00 0.00 C ATOM 875 O LYS A 55 9.641 5.568 -5.616 1.00 0.00 O ATOM 876 CB LYS A 55 7.042 4.550 -7.463 1.00 0.00 C ATOM 877 CG LYS A 55 7.219 5.999 -7.890 1.00 0.00 C ATOM 878 CD LYS A 55 5.892 6.633 -8.276 1.00 0.00 C ATOM 879 CE LYS A 55 5.685 6.629 -9.783 1.00 0.00 C ATOM 880 NZ LYS A 55 4.471 5.863 -10.174 1.00 0.00 N ATOM 0 H LYS A 55 7.051 2.267 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 55 9.109 3.942 -7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.817 3.946 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.181 4.479 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.671 6.566 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.906 6.049 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.077 6.093 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.857 7.658 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.598 7.655 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.560 6.196 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.365 5.884 -11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.565 4.877 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.633 6.291 -9.732 1.00 0.00 H new ATOM 894 N LEU A 56 7.854 4.777 -4.507 1.00 0.00 N ATOM 895 CA LEU A 56 8.108 5.575 -3.314 1.00 0.00 C ATOM 896 C LEU A 56 9.376 5.111 -2.606 1.00 0.00 C ATOM 897 O LEU A 56 10.166 5.927 -2.131 1.00 0.00 O ATOM 898 CB LEU A 56 6.915 5.498 -2.362 1.00 0.00 C ATOM 899 CG LEU A 56 5.790 6.496 -2.651 1.00 0.00 C ATOM 900 CD1 LEU A 56 4.998 6.071 -3.878 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.874 6.628 -1.444 1.00 0.00 C ATOM 0 H LEU A 56 7.028 4.182 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 56 8.249 6.611 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.504 4.489 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.271 5.659 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 56 6.238 7.469 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.204 6.793 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.661 6.027 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.561 5.087 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.080 7.341 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.436 5.657 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.449 6.980 -0.588 1.00 0.00 H new ATOM 913 N SER A 57 9.566 3.798 -2.537 1.00 0.00 N ATOM 914 CA SER A 57 10.742 3.232 -1.885 1.00 0.00 C ATOM 915 C SER A 57 12.001 3.520 -2.695 1.00 0.00 C ATOM 916 O SER A 57 13.080 3.719 -2.135 1.00 0.00 O ATOM 917 CB SER A 57 10.574 1.722 -1.702 1.00 0.00 C ATOM 918 OG SER A 57 9.547 1.432 -0.769 1.00 0.00 O ATOM 0 H SER A 57 8.923 3.107 -2.923 1.00 0.00 H new ATOM 0 HA SER A 57 10.845 3.699 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.339 1.260 -2.661 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.513 1.287 -1.360 1.00 0.00 H new ATOM 0 HG SER A 57 8.771 1.065 -1.241 1.00 0.00 H new ATOM 1417 N SER A 90 6.661 -18.477 3.832 1.00 0.00 N ATOM 1418 CA SER A 90 6.628 -17.465 4.882 1.00 0.00 C ATOM 1419 C SER A 90 5.193 -17.153 5.293 1.00 0.00 C ATOM 1420 O SER A 90 4.543 -16.288 4.708 1.00 0.00 O ATOM 1421 CB SER A 90 7.324 -16.187 4.410 1.00 0.00 C ATOM 1422 OG SER A 90 6.542 -15.505 3.446 1.00 0.00 O ATOM 0 HA SER A 90 7.157 -17.860 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.507 -15.533 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.296 -16.435 3.984 1.00 0.00 H new ATOM 0 HG SER A 90 5.621 -15.423 3.770 1.00 0.00 H new ATOM 1428 N ALA A 91 4.703 -17.866 6.303 1.00 0.00 N ATOM 1429 CA ALA A 91 3.345 -17.667 6.792 1.00 0.00 C ATOM 1430 C ALA A 91 3.221 -16.345 7.543 1.00 0.00 C ATOM 1431 O ALA A 91 2.254 -15.606 7.363 1.00 0.00 O ATOM 1432 CB ALA A 91 2.932 -18.825 7.688 1.00 0.00 C ATOM 0 H ALA A 91 5.228 -18.587 6.798 1.00 0.00 H new ATOM 0 HA ALA A 91 2.677 -17.631 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.915 -18.663 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.974 -19.756 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.611 -18.887 8.539 1.00 0.00 H new ATOM 1438 N GLU A 92 4.208 -16.054 8.384 1.00 0.00 N ATOM 1439 CA GLU A 92 4.209 -14.821 9.163 1.00 0.00 C ATOM 1440 C GLU A 92 4.490 -13.615 8.272 1.00 0.00 C ATOM 1441 O GLU A 92 3.862 -12.566 8.415 1.00 0.00 O ATOM 1442 CB GLU A 92 5.251 -14.900 10.280 1.00 0.00 C ATOM 1443 CG GLU A 92 4.849 -14.150 11.541 1.00 0.00 C ATOM 1444 CD GLU A 92 4.325 -15.070 12.625 1.00 0.00 C ATOM 1445 OE1 GLU A 92 4.804 -16.221 12.709 1.00 0.00 O ATOM 1446 OE2 GLU A 92 3.436 -14.641 13.390 1.00 0.00 O ATOM 0 H GLU A 92 5.017 -16.655 8.543 1.00 0.00 H new ATOM 0 HA GLU A 92 3.221 -14.699 9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.425 -15.947 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.196 -14.498 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.709 -13.600 11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.084 -13.414 11.293 1.00 0.00 H new ATOM 1453 N PHE A 93 5.439 -13.772 7.355 1.00 0.00 N ATOM 1454 CA PHE A 93 5.804 -12.696 6.441 1.00 0.00 C ATOM 1455 C PHE A 93 4.635 -12.332 5.530 1.00 0.00 C ATOM 1456 O PHE A 93 4.247 -11.167 5.438 1.00 0.00 O ATOM 1457 CB PHE A 93 7.013 -13.104 5.599 1.00 0.00 C ATOM 1458 CG PHE A 93 7.857 -11.942 5.157 1.00 0.00 C ATOM 1459 CD1 PHE A 93 8.737 -11.335 6.037 1.00 0.00 C ATOM 1460 CD2 PHE A 93 7.770 -11.460 3.862 1.00 0.00 C ATOM 1461 CE1 PHE A 93 9.515 -10.265 5.634 1.00 0.00 C ATOM 1462 CE2 PHE A 93 8.545 -10.391 3.452 1.00 0.00 C ATOM 1463 CZ PHE A 93 9.419 -9.793 4.340 1.00 0.00 C ATOM 0 H PHE A 93 5.969 -14.634 7.225 1.00 0.00 H new ATOM 0 HA PHE A 93 6.062 -11.820 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.631 -13.793 6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.666 -13.646 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.817 -11.701 7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.089 -11.924 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.197 -9.799 6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.468 -10.024 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 93 10.026 -8.958 4.022 1.00 0.00 H new ATOM 1473 N LEU A 94 4.078 -13.335 4.859 1.00 0.00 N ATOM 1474 CA LEU A 94 2.954 -13.119 3.954 1.00 0.00 C ATOM 1475 C LEU A 94 1.754 -12.550 4.705 1.00 0.00 C ATOM 1476 O LEU A 94 0.981 -11.767 4.153 1.00 0.00 O ATOM 1477 CB LEU A 94 2.568 -14.431 3.268 1.00 0.00 C ATOM 1478 CG LEU A 94 1.851 -14.271 1.925 1.00 0.00 C ATOM 1479 CD1 LEU A 94 2.668 -13.399 0.984 1.00 0.00 C ATOM 1480 CD2 LEU A 94 1.586 -15.631 1.298 1.00 0.00 C ATOM 0 H LEU A 94 4.386 -14.305 4.925 1.00 0.00 H new ATOM 0 HA LEU A 94 3.260 -12.397 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.471 -15.022 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.926 -15.000 3.940 1.00 0.00 H new ATOM 0 HG LEU A 94 0.894 -13.781 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.143 -13.297 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.807 -12.414 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.640 -13.861 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.076 -15.499 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.532 -16.147 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.960 -16.223 1.965 1.00 0.00 H new ATOM 1492 N GLU A 95 1.608 -12.947 5.964 1.00 0.00 N ATOM 1493 CA GLU A 95 0.501 -12.475 6.790 1.00 0.00 C ATOM 1494 C GLU A 95 0.736 -11.035 7.237 1.00 0.00 C ATOM 1495 O GLU A 95 -0.167 -10.201 7.176 1.00 0.00 O ATOM 1496 CB GLU A 95 0.325 -13.379 8.011 1.00 0.00 C ATOM 1497 CG GLU A 95 -0.595 -14.562 7.763 1.00 0.00 C ATOM 1498 CD GLU A 95 -0.381 -15.686 8.758 1.00 0.00 C ATOM 1499 OE1 GLU A 95 0.132 -15.411 9.863 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -0.728 -16.842 8.433 1.00 0.00 O ATOM 0 H GLU A 95 2.241 -13.594 6.435 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.409 -12.508 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.302 -13.748 8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.071 -12.788 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.631 -14.229 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.431 -14.939 6.754 1.00 0.00 H new ATOM 1507 N LYS A 96 1.954 -10.752 7.686 1.00 0.00 N ATOM 1508 CA LYS A 96 2.309 -9.414 8.143 1.00 0.00 C ATOM 1509 C LYS A 96 2.439 -8.451 6.965 1.00 0.00 C ATOM 1510 O LYS A 96 2.207 -7.250 7.104 1.00 0.00 O ATOM 1511 CB LYS A 96 3.619 -9.452 8.932 1.00 0.00 C ATOM 1512 CG LYS A 96 3.780 -8.292 9.899 1.00 0.00 C ATOM 1513 CD LYS A 96 5.247 -8.000 10.177 1.00 0.00 C ATOM 1514 CE LYS A 96 5.477 -7.650 11.639 1.00 0.00 C ATOM 1515 NZ LYS A 96 4.958 -8.706 12.551 1.00 0.00 N ATOM 0 H LYS A 96 2.712 -11.432 7.743 1.00 0.00 H new ATOM 0 HA LYS A 96 1.511 -9.057 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.671 -10.388 9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.455 -9.450 8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.303 -7.403 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.270 -8.523 10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.849 -8.869 9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.581 -7.175 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.544 -7.510 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.989 -6.702 11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.539 -8.737 13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.973 -8.491 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.999 -9.629 12.073 1.00 0.00 H new ATOM 1529 N ARG A 97 2.810 -8.986 5.806 1.00 0.00 N ATOM 1530 CA ARG A 97 2.970 -8.175 4.604 1.00 0.00 C ATOM 1531 C ARG A 97 1.666 -7.468 4.247 1.00 0.00 C ATOM 1532 O ARG A 97 1.674 -6.364 3.705 1.00 0.00 O ATOM 1533 CB ARG A 97 3.429 -9.044 3.432 1.00 0.00 C ATOM 1534 CG ARG A 97 3.721 -8.253 2.166 1.00 0.00 C ATOM 1535 CD ARG A 97 4.912 -7.325 2.349 1.00 0.00 C ATOM 1536 NE ARG A 97 4.652 -5.990 1.817 1.00 0.00 N ATOM 1537 CZ ARG A 97 5.349 -4.907 2.156 1.00 0.00 C ATOM 1538 NH1 ARG A 97 6.346 -4.998 3.028 1.00 0.00 N ATOM 1539 NH2 ARG A 97 5.046 -3.731 1.624 1.00 0.00 N ATOM 0 H ARG A 97 3.006 -9.978 5.674 1.00 0.00 H new ATOM 0 HA ARG A 97 3.730 -7.420 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.326 -9.590 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.660 -9.786 3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.918 -8.941 1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.843 -7.669 1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.155 -7.252 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.783 -7.751 1.851 1.00 0.00 H new ATOM 0 HE ARG A 97 3.892 -5.881 1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.581 -5.900 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.877 -4.166 3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.279 -3.656 0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.580 -2.901 1.883 1.00 0.00 H new ATOM 1553 N ARG A 98 0.546 -8.115 4.558 1.00 0.00 N ATOM 1554 CA ARG A 98 -0.768 -7.548 4.273 1.00 0.00 C ATOM 1555 C ARG A 98 -1.009 -6.306 5.120 1.00 0.00 C ATOM 1556 O ARG A 98 -1.344 -5.240 4.605 1.00 0.00 O ATOM 1557 CB ARG A 98 -1.858 -8.584 4.553 1.00 0.00 C ATOM 1558 CG ARG A 98 -2.250 -9.402 3.335 1.00 0.00 C ATOM 1559 CD ARG A 98 -2.424 -10.871 3.684 1.00 0.00 C ATOM 1560 NE ARG A 98 -3.299 -11.060 4.837 1.00 0.00 N ATOM 1561 CZ ARG A 98 -3.526 -12.240 5.408 1.00 0.00 C ATOM 1562 NH1 ARG A 98 -2.943 -13.335 4.936 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -4.335 -12.326 6.455 1.00 0.00 N ATOM 0 H ARG A 98 0.522 -9.031 5.007 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.801 -7.266 3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.513 -9.258 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.742 -8.074 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.179 -9.013 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.486 -9.298 2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.836 -11.401 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.449 -11.312 3.893 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.763 -10.240 5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.318 -13.274 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.120 -14.238 5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.784 -11.487 6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.509 -13.231 6.892 1.00 0.00 H new ATOM 1577 N ALA A 99 -0.837 -6.462 6.425 1.00 0.00 N ATOM 1578 CA ALA A 99 -1.030 -5.369 7.369 1.00 0.00 C ATOM 1579 C ALA A 99 -0.156 -4.169 7.019 1.00 0.00 C ATOM 1580 O ALA A 99 -0.656 -3.058 6.840 1.00 0.00 O ATOM 1581 CB ALA A 99 -0.733 -5.849 8.782 1.00 0.00 C ATOM 0 H ALA A 99 -0.562 -7.344 6.858 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.070 -5.047 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.879 -5.028 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.406 -6.668 9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.299 -6.196 8.839 1.00 0.00 H new ATOM 1587 N ALA A 100 1.152 -4.396 6.927 1.00 0.00 N ATOM 1588 CA ALA A 100 2.091 -3.328 6.602 1.00 0.00 C ATOM 1589 C ALA A 100 1.704 -2.628 5.308 1.00 0.00 C ATOM 1590 O ALA A 100 1.946 -1.433 5.144 1.00 0.00 O ATOM 1591 CB ALA A 100 3.506 -3.868 6.496 1.00 0.00 C ATOM 0 H ALA A 100 1.584 -5.308 7.073 1.00 0.00 H new ATOM 0 HA ALA A 100 2.052 -2.599 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.189 -3.054 6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.797 -4.314 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.549 -4.624 5.712 1.00 0.00 H new ATOM 1597 N LEU A 101 1.104 -3.377 4.388 1.00 0.00 N ATOM 1598 CA LEU A 101 0.689 -2.811 3.113 1.00 0.00 C ATOM 1599 C LEU A 101 -0.313 -1.689 3.345 1.00 0.00 C ATOM 1600 O LEU A 101 -0.291 -0.669 2.659 1.00 0.00 O ATOM 1601 CB LEU A 101 0.070 -3.891 2.216 1.00 0.00 C ATOM 1602 CG LEU A 101 0.405 -3.804 0.716 1.00 0.00 C ATOM 1603 CD1 LEU A 101 -0.824 -4.133 -0.117 1.00 0.00 C ATOM 1604 CD2 LEU A 101 0.944 -2.429 0.334 1.00 0.00 C ATOM 0 H LEU A 101 0.896 -4.369 4.502 1.00 0.00 H new ATOM 0 HA LEU A 101 1.568 -2.408 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.391 -4.866 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.013 -3.849 2.328 1.00 0.00 H new ATOM 0 HG LEU A 101 1.187 -4.535 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.574 -4.068 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.161 -5.143 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.619 -3.424 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.168 -2.409 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.197 -1.669 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.853 -2.225 0.899 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.181 -1.881 4.334 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.174 -0.875 4.669 1.00 0.00 C ATOM 1618 C GLU A 102 -1.508 0.310 5.345 1.00 0.00 C ATOM 1619 O GLU A 102 -1.835 1.460 5.067 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.252 -1.449 5.585 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.416 -0.497 5.798 1.00 0.00 C ATOM 1622 CD GLU A 102 -4.702 -0.241 7.265 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -4.311 -1.083 8.102 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -5.317 0.800 7.578 1.00 0.00 O ATOM 0 H GLU A 102 -1.214 -2.720 4.913 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.647 -0.548 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.625 -2.381 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.809 -1.694 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.201 0.450 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.308 -0.908 5.325 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.557 0.020 6.229 1.00 0.00 N ATOM 1632 CA ARG A 103 0.167 1.070 6.931 1.00 0.00 C ATOM 1633 C ARG A 103 0.845 1.983 5.918 1.00 0.00 C ATOM 1634 O ARG A 103 0.765 3.207 6.014 1.00 0.00 O ATOM 1635 CB ARG A 103 1.206 0.469 7.881 1.00 0.00 C ATOM 1636 CG ARG A 103 0.683 -0.698 8.706 1.00 0.00 C ATOM 1637 CD ARG A 103 -0.623 -0.354 9.406 1.00 0.00 C ATOM 1638 NE ARG A 103 -0.413 0.493 10.578 1.00 0.00 N ATOM 1639 CZ ARG A 103 -0.024 0.032 11.765 1.00 0.00 C ATOM 1640 NH1 ARG A 103 0.207 -1.263 11.938 1.00 0.00 N ATOM 1641 NH2 ARG A 103 0.136 0.869 12.782 1.00 0.00 N ATOM 0 H ARG A 103 -0.273 -0.928 6.474 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.539 1.650 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.065 0.134 7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.561 1.248 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.532 -1.562 8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 103 1.429 -0.982 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.286 0.155 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.124 -1.273 9.709 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.574 1.496 10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.087 -1.911 11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.505 -1.611 12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.039 1.866 12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.434 0.516 13.691 1.00 0.00 H new ATOM 1655 N TYR A 104 1.497 1.368 4.936 1.00 0.00 N ATOM 1656 CA TYR A 104 2.173 2.116 3.886 1.00 0.00 C ATOM 1657 C TYR A 104 1.154 2.793 2.967 1.00 0.00 C ATOM 1658 O TYR A 104 1.430 3.844 2.394 1.00 0.00 O ATOM 1659 CB TYR A 104 3.088 1.193 3.072 1.00 0.00 C ATOM 1660 CG TYR A 104 3.523 1.787 1.751 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.756 1.613 0.606 1.00 0.00 C ATOM 1662 CD2 TYR A 104 4.693 2.530 1.651 1.00 0.00 C ATOM 1663 CE1 TYR A 104 3.143 2.160 -0.602 1.00 0.00 C ATOM 1664 CE2 TYR A 104 5.084 3.084 0.447 1.00 0.00 C ATOM 1665 CZ TYR A 104 4.305 2.896 -0.675 1.00 0.00 C ATOM 1666 OH TYR A 104 4.689 3.445 -1.876 1.00 0.00 O ATOM 0 H TYR A 104 1.570 0.355 4.847 1.00 0.00 H new ATOM 0 HA TYR A 104 2.784 2.887 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.972 0.957 3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.569 0.253 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.842 1.041 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.306 2.677 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.538 2.011 -1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.995 3.661 0.385 1.00 0.00 H new ATOM 0 HH TYR A 104 3.940 3.946 -2.261 1.00 0.00 H new ATOM 1676 N LEU A 105 -0.014 2.172 2.817 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.063 2.712 1.955 1.00 0.00 C ATOM 1678 C LEU A 105 -1.879 3.787 2.667 1.00 0.00 C ATOM 1679 O LEU A 105 -2.428 4.683 2.032 1.00 0.00 O ATOM 1680 CB LEU A 105 -1.997 1.591 1.494 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.041 1.972 0.439 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -4.333 2.409 1.117 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -2.519 3.059 -0.498 1.00 0.00 C ATOM 0 H LEU A 105 -0.258 1.296 3.280 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.575 3.166 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.388 0.779 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.519 1.199 2.367 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.246 1.092 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.069 2.678 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.720 1.591 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.136 3.272 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.285 3.304 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.272 3.950 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.626 2.700 -1.010 1.00 0.00 H new ATOM 1695 N GLN A 106 -1.974 3.688 3.982 1.00 0.00 N ATOM 1696 CA GLN A 106 -2.747 4.649 4.753 1.00 0.00 C ATOM 1697 C GLN A 106 -2.204 6.065 4.603 1.00 0.00 C ATOM 1698 O GLN A 106 -2.968 7.026 4.595 1.00 0.00 O ATOM 1699 CB GLN A 106 -2.772 4.267 6.227 1.00 0.00 C ATOM 1700 CG GLN A 106 -3.858 3.264 6.578 1.00 0.00 C ATOM 1701 CD GLN A 106 -4.561 3.598 7.880 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -5.861 3.332 7.935 1.00 0.00 O flip ATOM 1703 NE2 GLN A 106 -3.942 4.087 8.825 1.00 0.00 N flip ATOM 0 H GLN A 106 -1.529 2.957 4.536 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.763 4.628 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -1.803 3.851 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.914 5.167 6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.591 3.230 5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.419 2.269 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.943 4.275 8.738 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.428 4.304 9.695 1.00 0.00 H new ATOM 1712 N ARG A 107 -0.886 6.197 4.504 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.267 7.516 4.379 1.00 0.00 C ATOM 1714 C ARG A 107 -0.654 8.208 3.071 1.00 0.00 C ATOM 1715 O ARG A 107 -1.075 9.364 3.083 1.00 0.00 O ATOM 1716 CB ARG A 107 1.258 7.407 4.473 1.00 0.00 C ATOM 1717 CG ARG A 107 1.835 6.227 3.708 1.00 0.00 C ATOM 1718 CD ARG A 107 2.803 6.673 2.624 1.00 0.00 C ATOM 1719 NE ARG A 107 3.854 7.543 3.145 1.00 0.00 N ATOM 1720 CZ ARG A 107 5.035 7.715 2.552 1.00 0.00 C ATOM 1721 NH1 ARG A 107 5.322 7.070 1.428 1.00 0.00 N ATOM 1722 NH2 ARG A 107 5.931 8.533 3.084 1.00 0.00 N ATOM 0 H ARG A 107 -0.229 5.417 4.507 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.639 8.123 5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.703 8.327 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.543 7.323 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.348 5.561 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.024 5.655 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.256 5.796 2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.254 7.198 1.843 1.00 0.00 H new ATOM 0 HE ARG A 107 3.674 8.048 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.637 6.438 1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.228 7.206 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.717 9.031 3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.835 8.664 2.630 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.512 7.510 1.946 1.00 0.00 N ATOM 1737 CA ILE A 108 -0.853 8.098 0.650 1.00 0.00 C ATOM 1738 C ILE A 108 -2.351 8.331 0.533 1.00 0.00 C ATOM 1739 O ILE A 108 -2.790 9.281 -0.108 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.376 7.235 -0.539 1.00 0.00 C ATOM 1741 CG1 ILE A 108 -0.677 5.751 -0.286 1.00 0.00 C ATOM 1742 CG2 ILE A 108 1.106 7.472 -0.797 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.537 4.846 -0.338 1.00 0.00 C ATOM 0 H ILE A 108 -0.168 6.551 1.903 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.329 9.053 0.604 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.924 7.530 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.148 5.650 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.401 5.409 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.432 6.859 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.271 8.524 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.678 7.203 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.232 3.817 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.998 4.912 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.255 5.157 0.420 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.132 7.467 1.163 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.580 7.595 1.132 1.00 0.00 C ATOM 1757 C VAL A 109 -5.065 8.574 2.202 1.00 0.00 C ATOM 1758 O VAL A 109 -6.156 9.132 2.095 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.271 6.236 1.328 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -4.838 5.255 0.250 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -4.987 5.679 2.715 1.00 0.00 C ATOM 0 H VAL A 109 -2.788 6.671 1.701 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.846 7.980 0.148 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.347 6.385 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.338 4.299 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.107 5.649 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.759 5.112 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.486 4.717 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.912 5.547 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.358 6.373 3.469 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.250 8.770 3.239 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.603 9.673 4.331 1.00 0.00 C ATOM 1773 C ASN A 110 -4.564 11.143 3.912 1.00 0.00 C ATOM 1774 O ASN A 110 -5.521 11.880 4.147 1.00 0.00 O ATOM 1775 CB ASN A 110 -3.668 9.459 5.526 1.00 0.00 C ATOM 1776 CG ASN A 110 -4.248 8.511 6.562 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -4.981 7.500 6.105 1.00 0.00 O flip ATOM 1778 ND2 ASN A 110 -4.037 8.686 7.763 1.00 0.00 N flip ATOM 0 H ASN A 110 -3.343 8.316 3.344 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.628 9.435 4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.716 9.064 5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -3.459 10.420 5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.469 9.475 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.431 8.042 8.449 1.00 0.00 H new ATOM 1785 N HIS A 111 -3.455 11.584 3.315 1.00 0.00 N ATOM 1786 CA HIS A 111 -3.330 12.982 2.907 1.00 0.00 C ATOM 1787 C HIS A 111 -3.535 13.147 1.404 1.00 0.00 C ATOM 1788 O HIS A 111 -3.026 12.357 0.615 1.00 0.00 O ATOM 1789 CB HIS A 111 -1.966 13.536 3.325 1.00 0.00 C ATOM 1790 CG HIS A 111 -1.924 15.030 3.401 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -2.532 15.751 4.408 1.00 0.00 N ATOM 1792 CD2 HIS A 111 -1.337 15.944 2.591 1.00 0.00 C ATOM 1793 CE1 HIS A 111 -2.322 17.040 4.214 1.00 0.00 C ATOM 1794 NE2 HIS A 111 -1.598 17.184 3.119 1.00 0.00 N ATOM 0 H HIS A 111 -2.643 11.003 3.106 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.113 13.549 3.411 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.698 13.123 4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.212 13.195 2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.769 15.736 1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.681 17.840 4.844 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.284 18.072 2.729 1.00 0.00 H new ATOM 1803 N PRO A 112 -4.289 14.183 0.985 1.00 0.00 N ATOM 1804 CA PRO A 112 -4.558 14.440 -0.434 1.00 0.00 C ATOM 1805 C PRO A 112 -3.326 14.942 -1.183 1.00 0.00 C ATOM 1806 O PRO A 112 -2.977 14.417 -2.240 1.00 0.00 O ATOM 1807 CB PRO A 112 -5.642 15.518 -0.403 1.00 0.00 C ATOM 1808 CG PRO A 112 -5.456 16.215 0.900 1.00 0.00 C ATOM 1809 CD PRO A 112 -4.938 15.178 1.861 1.00 0.00 C ATOM 0 HA PRO A 112 -4.855 13.532 -0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -5.535 16.209 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -6.637 15.079 -0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.752 17.041 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.397 16.638 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.232 15.608 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.745 14.733 2.443 1.00 0.00 H new ATOM 1817 N THR A 113 -2.670 15.957 -0.631 1.00 0.00 N ATOM 1818 CA THR A 113 -1.476 16.521 -1.254 1.00 0.00 C ATOM 1819 C THR A 113 -0.371 15.474 -1.356 1.00 0.00 C ATOM 1820 O THR A 113 0.504 15.562 -2.218 1.00 0.00 O ATOM 1821 CB THR A 113 -0.978 17.727 -0.455 1.00 0.00 C ATOM 1822 OG1 THR A 113 -2.061 18.557 -0.072 1.00 0.00 O ATOM 1823 CG2 THR A 113 0.010 18.582 -1.218 1.00 0.00 C ATOM 0 H THR A 113 -2.943 16.405 0.244 1.00 0.00 H new ATOM 0 HA THR A 113 -1.741 16.845 -2.260 1.00 0.00 H new ATOM 0 HB THR A 113 -0.475 17.309 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 113 -1.722 19.321 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 113 0.323 19.420 -0.595 1.00 0.00 H new ATOM 0 HG22 THR A 113 0.880 17.982 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 113 -0.461 18.961 -2.125 1.00 0.00 H new ATOM 1831 N MET A 114 -0.418 14.486 -0.470 1.00 0.00 N ATOM 1832 CA MET A 114 0.574 13.418 -0.450 1.00 0.00 C ATOM 1833 C MET A 114 0.610 12.673 -1.778 1.00 0.00 C ATOM 1834 O MET A 114 1.677 12.462 -2.357 1.00 0.00 O ATOM 1835 CB MET A 114 0.258 12.438 0.678 1.00 0.00 C ATOM 1836 CG MET A 114 1.249 12.499 1.825 1.00 0.00 C ATOM 1837 SD MET A 114 1.256 10.997 2.817 1.00 0.00 S ATOM 1838 CE MET A 114 1.802 9.812 1.593 1.00 0.00 C ATOM 0 H MET A 114 -1.137 14.403 0.248 1.00 0.00 H new ATOM 0 HA MET A 114 1.552 13.869 -0.283 1.00 0.00 H new ATOM 0 HB2 MET A 114 -0.742 12.645 1.060 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.242 11.425 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.249 12.671 1.427 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.009 13.350 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.270 8.871 1.735 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.596 10.199 0.595 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.873 9.643 1.702 1.00 0.00 H new ATOM 1848 N LEU A 115 -0.565 12.268 -2.247 1.00 0.00 N ATOM 1849 CA LEU A 115 -0.686 11.533 -3.504 1.00 0.00 C ATOM 1850 C LEU A 115 0.170 12.169 -4.597 1.00 0.00 C ATOM 1851 O LEU A 115 0.976 11.496 -5.236 1.00 0.00 O ATOM 1852 CB LEU A 115 -2.153 11.477 -3.948 1.00 0.00 C ATOM 1853 CG LEU A 115 -3.069 10.579 -3.105 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -2.407 9.239 -2.821 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -3.453 11.268 -1.804 1.00 0.00 C ATOM 0 H LEU A 115 -1.453 12.437 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.326 10.518 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.556 12.490 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.188 11.132 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.977 10.396 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.077 8.622 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.191 8.733 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.478 9.401 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.102 10.613 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.553 11.489 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.979 12.197 -2.026 1.00 0.00 H new ATOM 1867 N GLN A 116 -0.005 13.475 -4.794 1.00 0.00 N ATOM 1868 CA GLN A 116 0.754 14.216 -5.798 1.00 0.00 C ATOM 1869 C GLN A 116 0.645 13.563 -7.177 1.00 0.00 C ATOM 1870 O GLN A 116 -0.183 13.964 -7.997 1.00 0.00 O ATOM 1871 CB GLN A 116 2.224 14.323 -5.378 1.00 0.00 C ATOM 1872 CG GLN A 116 2.606 15.699 -4.855 1.00 0.00 C ATOM 1873 CD GLN A 116 3.360 16.522 -5.880 1.00 0.00 C ATOM 1874 OE1 GLN A 116 4.512 16.899 -5.666 1.00 0.00 O ATOM 1875 NE2 GLN A 116 2.712 16.807 -7.003 1.00 0.00 N ATOM 0 H GLN A 116 -0.669 14.043 -4.268 1.00 0.00 H new ATOM 0 HA GLN A 116 0.328 15.217 -5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.428 13.580 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.856 14.079 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 116 1.704 16.234 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.220 15.587 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 116 1.757 16.474 -7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 116 3.169 17.359 -7.729 1.00 0.00 H new ATOM 1884 N ASP A 117 1.483 12.560 -7.429 1.00 0.00 N ATOM 1885 CA ASP A 117 1.476 11.860 -8.709 1.00 0.00 C ATOM 1886 C ASP A 117 0.097 11.265 -8.997 1.00 0.00 C ATOM 1887 O ASP A 117 -0.426 10.483 -8.203 1.00 0.00 O ATOM 1888 CB ASP A 117 2.534 10.752 -8.713 1.00 0.00 C ATOM 1889 CG ASP A 117 3.701 11.073 -9.626 1.00 0.00 C ATOM 1890 OD1 ASP A 117 4.656 11.729 -9.160 1.00 0.00 O ATOM 1891 OD2 ASP A 117 3.660 10.668 -10.807 1.00 0.00 O ATOM 0 H ASP A 117 2.175 12.215 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 117 1.711 12.581 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 117 2.901 10.600 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 117 2.075 9.816 -9.030 1.00 0.00 H new ATOM 1896 N PRO A 118 -0.515 11.631 -10.139 1.00 0.00 N ATOM 1897 CA PRO A 118 -1.839 11.128 -10.520 1.00 0.00 C ATOM 1898 C PRO A 118 -1.910 9.604 -10.524 1.00 0.00 C ATOM 1899 O PRO A 118 -2.986 9.025 -10.380 1.00 0.00 O ATOM 1900 CB PRO A 118 -2.038 11.674 -11.936 1.00 0.00 C ATOM 1901 CG PRO A 118 -1.158 12.874 -12.006 1.00 0.00 C ATOM 1902 CD PRO A 118 0.031 12.562 -11.144 1.00 0.00 C ATOM 0 HA PRO A 118 -2.607 11.444 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.761 10.935 -12.688 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.080 11.936 -12.116 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -0.854 13.076 -13.033 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.679 13.762 -11.647 1.00 0.00 H new ATOM 0 HD2 PRO A 118 0.837 12.106 -11.719 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.439 13.460 -10.681 1.00 0.00 H new ATOM 1910 N ASP A 119 -0.760 8.957 -10.694 1.00 0.00 N ATOM 1911 CA ASP A 119 -0.706 7.498 -10.720 1.00 0.00 C ATOM 1912 C ASP A 119 -1.099 6.917 -9.379 1.00 0.00 C ATOM 1913 O ASP A 119 -1.984 6.068 -9.286 1.00 0.00 O ATOM 1914 CB ASP A 119 0.707 7.039 -11.027 1.00 0.00 C ATOM 1915 CG ASP A 119 0.969 6.889 -12.512 1.00 0.00 C ATOM 1916 OD1 ASP A 119 0.251 6.106 -13.166 1.00 0.00 O ATOM 1917 OD2 ASP A 119 1.894 7.557 -13.022 1.00 0.00 O ATOM 0 H ASP A 119 0.142 9.417 -10.815 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.400 7.156 -11.487 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.415 7.755 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.889 6.085 -10.533 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.431 7.392 -8.339 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.704 6.936 -6.992 1.00 0.00 C ATOM 1924 C VAL A 120 -2.057 7.458 -6.552 1.00 0.00 C ATOM 1925 O VAL A 120 -2.821 6.764 -5.881 1.00 0.00 O ATOM 1926 CB VAL A 120 0.389 7.388 -6.013 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.668 8.871 -6.182 1.00 0.00 C ATOM 1928 CG2 VAL A 120 -0.007 7.053 -4.586 1.00 0.00 C ATOM 0 H VAL A 120 0.305 8.095 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.713 5.846 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 120 1.310 6.849 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.445 9.177 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.002 9.065 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.242 9.437 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.778 7.380 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.938 7.562 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -0.146 5.976 -4.490 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.358 8.675 -6.977 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.634 9.287 -6.674 1.00 0.00 C ATOM 1940 C ARG A 121 -4.747 8.445 -7.278 1.00 0.00 C ATOM 1941 O ARG A 121 -5.863 8.403 -6.758 1.00 0.00 O ATOM 1942 CB ARG A 121 -3.691 10.713 -7.226 1.00 0.00 C ATOM 1943 CG ARG A 121 -4.987 11.441 -6.904 1.00 0.00 C ATOM 1944 CD ARG A 121 -4.763 12.587 -5.928 1.00 0.00 C ATOM 1945 NE ARG A 121 -5.360 13.834 -6.403 1.00 0.00 N ATOM 1946 CZ ARG A 121 -5.065 15.033 -5.905 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -4.183 15.152 -4.921 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -5.655 16.116 -6.394 1.00 0.00 N ATOM 0 H ARG A 121 -1.732 9.256 -7.534 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.760 9.337 -5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.854 11.283 -6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.562 10.680 -8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.425 11.827 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.704 10.737 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.189 12.327 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.693 12.731 -5.777 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.042 13.783 -7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.727 14.322 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.961 16.073 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.334 16.029 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.430 17.035 -6.013 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.434 7.776 -8.390 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.414 6.937 -9.067 1.00 0.00 C ATOM 1964 C GLU A 122 -5.021 5.460 -9.025 1.00 0.00 C ATOM 1965 O GLU A 122 -5.594 4.646 -9.749 1.00 0.00 O ATOM 1966 CB GLU A 122 -5.580 7.389 -10.518 1.00 0.00 C ATOM 1967 CG GLU A 122 -6.004 8.843 -10.656 1.00 0.00 C ATOM 1968 CD GLU A 122 -5.661 9.424 -12.013 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -4.475 9.744 -12.240 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -6.579 9.563 -12.849 1.00 0.00 O ATOM 0 H GLU A 122 -3.516 7.801 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.362 7.046 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -4.638 7.242 -11.046 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -6.321 6.755 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.079 8.921 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.520 9.434 -9.879 1.00 0.00 H new ATOM 1977 N PHE A 123 -4.047 5.107 -8.184 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.612 3.719 -8.083 1.00 0.00 C ATOM 1979 C PHE A 123 -4.533 2.922 -7.167 1.00 0.00 C ATOM 1980 O PHE A 123 -4.985 1.832 -7.518 1.00 0.00 O ATOM 1981 CB PHE A 123 -2.178 3.651 -7.560 1.00 0.00 C ATOM 1982 CG PHE A 123 -1.179 3.277 -8.612 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.339 2.115 -9.347 1.00 0.00 C ATOM 1984 CD2 PHE A 123 -0.081 4.083 -8.865 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -0.422 1.762 -10.319 1.00 0.00 C ATOM 1986 CE2 PHE A 123 0.840 3.735 -9.836 1.00 0.00 C ATOM 1987 CZ PHE A 123 0.669 2.572 -10.564 1.00 0.00 C ATOM 0 H PHE A 123 -3.552 5.756 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.653 3.280 -9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.906 4.619 -7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -2.129 2.925 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -2.190 1.477 -9.159 1.00 0.00 H new ATOM 0 HD2 PHE A 123 0.057 4.992 -8.298 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.559 0.853 -10.886 1.00 0.00 H new ATOM 0 HE2 PHE A 123 1.692 4.371 -10.026 1.00 0.00 H new ATOM 0 HZ PHE A 123 1.387 2.298 -11.323 1.00 0.00 H new ATOM 1997 N LEU A 124 -4.807 3.473 -5.994 1.00 0.00 N ATOM 1998 CA LEU A 124 -5.673 2.812 -5.024 1.00 0.00 C ATOM 1999 C LEU A 124 -7.076 2.610 -5.591 1.00 0.00 C ATOM 2000 O LEU A 124 -7.778 1.671 -5.216 1.00 0.00 O ATOM 2001 CB LEU A 124 -5.731 3.622 -3.724 1.00 0.00 C ATOM 2002 CG LEU A 124 -6.746 4.771 -3.709 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -7.995 4.367 -2.937 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -6.125 6.028 -3.113 1.00 0.00 C ATOM 0 H LEU A 124 -4.443 4.376 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.253 1.830 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.964 2.943 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.741 4.032 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.035 4.990 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.705 5.194 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.451 3.498 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.724 4.120 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.861 6.832 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.805 5.826 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.263 6.326 -3.710 1.00 0.00 H new ATOM 2016 N GLU A 125 -7.479 3.496 -6.498 1.00 0.00 N ATOM 2017 CA GLU A 125 -8.798 3.411 -7.117 1.00 0.00 C ATOM 2018 C GLU A 125 -8.756 2.571 -8.393 1.00 0.00 C ATOM 2019 O GLU A 125 -9.795 2.134 -8.889 1.00 0.00 O ATOM 2020 CB GLU A 125 -9.327 4.812 -7.432 1.00 0.00 C ATOM 2021 CG GLU A 125 -8.508 5.551 -8.479 1.00 0.00 C ATOM 2022 CD GLU A 125 -8.846 7.027 -8.546 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -8.861 7.682 -7.484 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -9.093 7.528 -9.664 1.00 0.00 O ATOM 0 H GLU A 125 -6.912 4.280 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.470 2.925 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.357 4.733 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.343 5.400 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.448 5.434 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.679 5.098 -9.455 1.00 0.00 H new ATOM 2031 N LYS A 126 -7.555 2.349 -8.921 1.00 0.00 N ATOM 2032 CA LYS A 126 -7.387 1.562 -10.139 1.00 0.00 C ATOM 2033 C LYS A 126 -8.081 0.209 -10.016 1.00 0.00 C ATOM 2034 O LYS A 126 -7.779 -0.576 -9.118 1.00 0.00 O ATOM 2035 CB LYS A 126 -5.900 1.360 -10.438 1.00 0.00 C ATOM 2036 CG LYS A 126 -5.636 0.588 -11.722 1.00 0.00 C ATOM 2037 CD LYS A 126 -5.332 1.521 -12.883 1.00 0.00 C ATOM 2038 CE LYS A 126 -4.185 0.998 -13.734 1.00 0.00 C ATOM 2039 NZ LYS A 126 -3.602 2.063 -14.596 1.00 0.00 N ATOM 0 H LYS A 126 -6.684 2.703 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.846 2.110 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -5.416 2.334 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -5.439 0.830 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.798 -0.093 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -6.505 -0.024 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -6.222 1.636 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.080 2.510 -12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.409 0.590 -13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -4.541 0.179 -14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.824 1.666 -15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.336 2.435 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.239 2.833 -13.999 1.00 0.00 H new ATOM 2053 N GLU A 127 -9.013 -0.057 -10.926 1.00 0.00 N ATOM 2054 CA GLU A 127 -9.751 -1.315 -10.917 1.00 0.00 C ATOM 2055 C GLU A 127 -9.704 -1.985 -12.286 1.00 0.00 C ATOM 2056 O GLU A 127 -10.459 -1.626 -13.190 1.00 0.00 O ATOM 2057 CB GLU A 127 -11.204 -1.075 -10.504 1.00 0.00 C ATOM 2058 CG GLU A 127 -11.350 -0.488 -9.110 1.00 0.00 C ATOM 2059 CD GLU A 127 -12.246 0.735 -9.081 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -12.224 1.509 -10.061 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -12.970 0.918 -8.080 1.00 0.00 O ATOM 0 H GLU A 127 -9.275 0.581 -11.678 1.00 0.00 H new ATOM 0 HA GLU A 127 -9.279 -1.978 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.671 -0.402 -11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.747 -2.019 -10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -11.756 -1.247 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -10.365 -0.221 -8.728 1.00 0.00 H new ATOM 2068 N GLU A 128 -8.813 -2.960 -12.432 1.00 0.00 N ATOM 2069 CA GLU A 128 -8.667 -3.681 -13.691 1.00 0.00 C ATOM 2070 C GLU A 128 -8.991 -5.161 -13.511 1.00 0.00 C ATOM 2071 O GLU A 128 -9.743 -5.707 -14.345 1.00 0.00 O ATOM 2072 CB GLU A 128 -7.246 -3.521 -14.233 1.00 0.00 C ATOM 2073 CG GLU A 128 -6.829 -2.072 -14.425 1.00 0.00 C ATOM 2074 CD GLU A 128 -6.883 -1.636 -15.876 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -6.088 -2.161 -16.683 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -7.722 -0.771 -16.204 1.00 0.00 O ATOM 2077 OXT GLU A 128 -8.491 -5.761 -12.537 1.00 0.00 O ATOM 0 H GLU A 128 -8.181 -3.269 -11.694 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.371 -3.257 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.548 -4.004 -13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.169 -4.042 -15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -7.480 -1.429 -13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -5.816 -1.936 -14.046 1.00 0.00 H new