USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 966 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 122 GLN : amide:sc= 1.97 K(o=3.2,f=-4.2) USER MOD Set 1.2: A 123 TYR OH : rot 59:sc= 1.22 USER MOD Set 2.1: A 97 LYS NZ :NH3+ 179:sc= -0.0398 (180deg=-0.0453) USER MOD Set 2.2: A 104 TYR OH : rot 30:sc= -0.175 USER MOD Set 3.1: A 84 HIS :FLIP no HE2:sc= -2.76 F(o=-3.6!,f=-1.6) USER MOD Set 3.2: A 93 TYR OH : rot 141:sc= 1.19 USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 LYS NZ :NH3+ 161:sc= 0.229 (180deg=-0.923) USER MOD Set 5.1: A 21 ASN : amide:sc= 1.03 K(o=2.3,f=-1.6) USER MOD Set 5.2: A 25 TYR OH : rot 149:sc= 1.23 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= 0.0157 (180deg=-0.252) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 45:sc= 0.128 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 140:sc= -0.269 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= -1.18 (180deg=-3.42!) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= -0.0913 (180deg=-0.36) USER MOD Single : A 38 TYR OH : rot 100:sc= -0.0601 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -115:sc= -0.61 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot -56:sc= -1.53 USER MOD Single : A 65 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 68 THR OG1 : rot 176:sc= 0.00234 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 10:sc= 0.122 USER MOD Single : A 82 LYS NZ :NH3+ -121:sc= 0.0106 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -60:sc= 0.12 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -59:sc= 1.2 USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-2.9!,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc=-0.00075 (180deg=-0.0811) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -125:sc= 0 (180deg=-0.0415) USER MOD Single : A 112 SER OG : rot 23:sc= 1.2 USER MOD Single : A 115 GLN : amide:sc= -4.5! C(o=-4.5!,f=-4.4!) USER MOD Single : A 117 ASN : amide:sc= -0.635 K(o=-0.64,f=-1.8) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 -10.775 13.425 0.244 1.00 0.00 N ATOM 2 CA ASN A 7 -11.775 14.418 -0.076 1.00 0.00 C ATOM 3 C ASN A 7 -12.372 13.993 -1.401 1.00 0.00 C ATOM 4 O ASN A 7 -13.565 14.131 -1.655 1.00 0.00 O ATOM 5 CB ASN A 7 -11.211 15.873 -0.093 1.00 0.00 C ATOM 6 CG ASN A 7 -10.843 16.316 1.327 1.00 0.00 C ATOM 7 OD1 ASN A 7 -11.716 16.550 2.165 1.00 0.00 O ATOM 8 ND2 ASN A 7 -9.527 16.423 1.642 1.00 0.00 N ATOM 0 HA ASN A 7 -12.542 14.459 0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.332 15.922 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.952 16.553 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.249 16.700 2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.816 16.226 0.937 1.00 0.00 H new ATOM 15 N SER A 8 -11.521 13.430 -2.292 1.00 0.00 N ATOM 16 CA SER A 8 -11.886 12.859 -3.594 1.00 0.00 C ATOM 17 C SER A 8 -11.170 11.526 -3.787 1.00 0.00 C ATOM 18 O SER A 8 -11.188 10.937 -4.863 1.00 0.00 O ATOM 19 CB SER A 8 -11.574 13.799 -4.794 1.00 0.00 C ATOM 20 OG SER A 8 -12.459 14.918 -4.801 1.00 0.00 O ATOM 0 H SER A 8 -10.520 13.363 -2.107 1.00 0.00 H new ATOM 0 HA SER A 8 -12.967 12.719 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.542 14.145 -4.733 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.670 13.247 -5.729 1.00 0.00 H new ATOM 0 HG SER A 8 -12.246 15.498 -5.561 1.00 0.00 H new ATOM 26 N PHE A 9 -10.513 11.025 -2.711 1.00 0.00 N ATOM 27 CA PHE A 9 -9.751 9.784 -2.678 1.00 0.00 C ATOM 28 C PHE A 9 -10.292 8.844 -1.626 1.00 0.00 C ATOM 29 O PHE A 9 -9.593 8.023 -1.044 1.00 0.00 O ATOM 30 CB PHE A 9 -8.208 9.981 -2.585 1.00 0.00 C ATOM 31 CG PHE A 9 -7.714 10.965 -1.569 1.00 0.00 C ATOM 32 CD1 PHE A 9 -7.746 12.339 -1.737 1.00 0.00 C ATOM 33 CD2 PHE A 9 -7.026 10.455 -0.501 1.00 0.00 C ATOM 34 CE1 PHE A 9 -7.110 13.170 -0.831 1.00 0.00 C ATOM 35 CE2 PHE A 9 -6.336 11.264 0.352 1.00 0.00 C ATOM 36 CZ PHE A 9 -6.384 12.634 0.215 1.00 0.00 C ATOM 0 H PHE A 9 -10.509 11.507 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.895 9.312 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.754 9.014 -2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.845 10.293 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.270 12.765 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.030 9.389 -0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.182 14.242 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.746 10.826 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.865 13.276 0.911 1.00 0.00 H new ATOM 46 N VAL A 10 -11.619 8.884 -1.390 1.00 0.00 N ATOM 47 CA VAL A 10 -12.357 8.006 -0.479 1.00 0.00 C ATOM 48 C VAL A 10 -12.575 6.548 -0.916 1.00 0.00 C ATOM 49 O VAL A 10 -13.227 5.776 -0.227 1.00 0.00 O ATOM 50 CB VAL A 10 -13.544 8.709 0.148 1.00 0.00 C ATOM 51 CG1 VAL A 10 -13.050 10.136 0.421 1.00 0.00 C ATOM 52 CG2 VAL A 10 -14.816 8.747 -0.705 1.00 0.00 C ATOM 0 H VAL A 10 -12.226 9.561 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.659 7.815 0.336 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.852 8.159 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.851 10.717 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.196 10.102 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.752 10.604 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.602 9.272 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.611 9.267 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.141 7.729 -0.919 1.00 0.00 H new ATOM 62 N GLY A 11 -11.945 6.145 -2.050 1.00 0.00 N ATOM 63 CA GLY A 11 -11.832 4.798 -2.599 1.00 0.00 C ATOM 64 C GLY A 11 -10.415 4.513 -3.072 1.00 0.00 C ATOM 65 O GLY A 11 -10.207 3.686 -3.953 1.00 0.00 O ATOM 0 H GLY A 11 -11.467 6.824 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.119 4.069 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.526 4.683 -3.431 1.00 0.00 H new ATOM 69 N LEU A 12 -9.391 5.191 -2.475 1.00 0.00 N ATOM 70 CA LEU A 12 -7.934 5.060 -2.684 1.00 0.00 C ATOM 71 C LEU A 12 -7.280 3.817 -2.124 1.00 0.00 C ATOM 72 O LEU A 12 -7.867 2.980 -1.432 1.00 0.00 O ATOM 73 CB LEU A 12 -7.068 6.364 -2.672 1.00 0.00 C ATOM 74 CG LEU A 12 -5.846 6.656 -1.783 1.00 0.00 C ATOM 75 CD1 LEU A 12 -5.187 7.927 -2.377 1.00 0.00 C ATOM 76 CD2 LEU A 12 -6.512 6.790 -0.391 1.00 0.00 C ATOM 0 H LEU A 12 -9.593 5.904 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.933 4.855 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.717 6.487 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.769 7.175 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.036 5.929 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.308 8.190 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.889 7.735 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.900 8.751 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.749 7.003 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.237 7.603 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.019 5.858 -0.139 1.00 0.00 H new ATOM 88 N ARG A 13 -6.009 3.626 -2.517 1.00 0.00 N ATOM 89 CA ARG A 13 -5.217 2.442 -2.237 1.00 0.00 C ATOM 90 C ARG A 13 -4.425 2.807 -1.010 1.00 0.00 C ATOM 91 O ARG A 13 -3.827 3.871 -0.980 1.00 0.00 O ATOM 92 CB ARG A 13 -4.365 2.074 -3.485 1.00 0.00 C ATOM 93 CG ARG A 13 -5.016 0.946 -4.322 1.00 0.00 C ATOM 94 CD ARG A 13 -6.306 1.308 -5.080 1.00 0.00 C ATOM 95 NE ARG A 13 -5.987 2.263 -6.203 1.00 0.00 N ATOM 96 CZ ARG A 13 -5.705 1.870 -7.486 1.00 0.00 C ATOM 97 NH1 ARG A 13 -5.723 0.554 -7.845 1.00 0.00 N ATOM 98 NH2 ARG A 13 -5.397 2.815 -8.422 1.00 0.00 N ATOM 0 H ARG A 13 -5.497 4.324 -3.057 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.797 1.540 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.235 2.959 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.371 1.760 -3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.283 0.593 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.235 0.111 -3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.770 0.406 -5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.025 1.762 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.981 3.262 -5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.950 -0.160 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.510 0.284 -8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.378 3.802 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.185 2.534 -9.380 1.00 0.00 H new ATOM 112 N VAL A 14 -4.461 2.005 0.080 1.00 0.00 N ATOM 113 CA VAL A 14 -3.828 2.400 1.334 1.00 0.00 C ATOM 114 C VAL A 14 -2.823 1.373 1.806 1.00 0.00 C ATOM 115 O VAL A 14 -2.947 0.179 1.570 1.00 0.00 O ATOM 116 CB VAL A 14 -4.770 2.987 2.429 1.00 0.00 C ATOM 117 CG1 VAL A 14 -5.650 4.105 1.834 1.00 0.00 C ATOM 118 CG2 VAL A 14 -5.697 2.032 3.177 1.00 0.00 C ATOM 0 H VAL A 14 -4.919 1.094 0.105 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.248 3.291 1.093 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.054 3.333 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.303 4.506 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.014 4.902 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.256 3.699 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.286 2.591 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.365 1.543 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.103 1.279 3.695 1.00 0.00 H new ATOM 128 N VAL A 15 -1.735 1.816 2.492 1.00 0.00 N ATOM 129 CA VAL A 15 -0.660 0.996 3.092 1.00 0.00 C ATOM 130 C VAL A 15 -0.848 1.036 4.574 1.00 0.00 C ATOM 131 O VAL A 15 -1.384 2.017 5.073 1.00 0.00 O ATOM 132 CB VAL A 15 0.776 1.358 2.770 1.00 0.00 C ATOM 133 CG1 VAL A 15 1.106 0.701 1.410 1.00 0.00 C ATOM 134 CG2 VAL A 15 0.952 2.879 2.874 1.00 0.00 C ATOM 0 H VAL A 15 -1.581 2.812 2.647 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.774 0.010 2.643 1.00 0.00 H new ATOM 0 HB VAL A 15 1.508 0.971 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.134 0.934 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.987 -0.380 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.429 1.085 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.984 3.142 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.285 3.372 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.712 3.205 3.886 1.00 0.00 H new ATOM 144 N ALA A 16 -0.449 -0.060 5.269 1.00 0.00 N ATOM 145 CA ALA A 16 -0.784 -0.351 6.640 1.00 0.00 C ATOM 146 C ALA A 16 0.414 -0.672 7.518 1.00 0.00 C ATOM 147 O ALA A 16 1.038 -1.719 7.430 1.00 0.00 O ATOM 148 CB ALA A 16 -1.826 -1.505 6.573 1.00 0.00 C ATOM 0 H ALA A 16 0.139 -0.780 4.849 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.197 0.531 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.129 -1.781 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.699 -1.175 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.381 -2.369 6.079 1.00 0.00 H new ATOM 154 N LYS A 17 0.741 0.270 8.411 1.00 0.00 N ATOM 155 CA LYS A 17 1.817 0.259 9.374 1.00 0.00 C ATOM 156 C LYS A 17 1.204 0.809 10.664 1.00 0.00 C ATOM 157 O LYS A 17 0.830 1.968 10.655 1.00 0.00 O ATOM 158 CB LYS A 17 2.994 1.196 8.902 1.00 0.00 C ATOM 159 CG LYS A 17 2.772 2.074 7.636 1.00 0.00 C ATOM 160 CD LYS A 17 3.328 3.510 7.731 1.00 0.00 C ATOM 161 CE LYS A 17 4.784 3.686 7.294 1.00 0.00 C ATOM 162 NZ LYS A 17 5.233 5.087 7.461 1.00 0.00 N ATOM 0 H LYS A 17 0.201 1.133 8.472 1.00 0.00 H new ATOM 0 HA LYS A 17 2.232 -0.741 9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.242 1.861 9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.868 0.569 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.234 1.578 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.702 2.128 7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.703 4.163 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.234 3.849 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.423 3.025 7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.890 3.390 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.393 5.514 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.503 5.627 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.118 5.105 8.006 1.00 0.00 H new ATOM 176 N TRP A 18 1.057 0.090 11.813 1.00 0.00 N ATOM 177 CA TRP A 18 0.464 0.697 13.033 1.00 0.00 C ATOM 178 C TRP A 18 1.457 1.510 13.889 1.00 0.00 C ATOM 179 O TRP A 18 1.119 2.487 14.548 1.00 0.00 O ATOM 180 CB TRP A 18 -0.298 -0.348 13.903 1.00 0.00 C ATOM 181 CG TRP A 18 -1.733 -0.581 13.486 1.00 0.00 C ATOM 182 CD1 TRP A 18 -2.393 -1.642 12.928 1.00 0.00 C ATOM 183 CD2 TRP A 18 -2.726 0.370 13.866 1.00 0.00 C ATOM 184 NE1 TRP A 18 -3.756 -1.402 12.943 1.00 0.00 N ATOM 185 CE2 TRP A 18 -3.968 -0.175 13.547 1.00 0.00 C ATOM 186 CE3 TRP A 18 -2.599 1.580 14.479 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -5.115 0.489 13.871 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -3.753 2.202 14.866 1.00 0.00 C ATOM 189 CH2 TRP A 18 -4.993 1.668 14.575 1.00 0.00 C ATOM 0 H TRP A 18 1.334 -0.886 11.917 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.259 1.418 12.652 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.238 -1.296 13.862 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.283 -0.018 14.942 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.922 -2.531 12.536 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.478 -2.021 12.574 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.631 2.027 14.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.083 0.105 13.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.694 3.132 15.412 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.883 2.183 14.905 1.00 0.00 H new ATOM 200 N SER A 19 2.720 1.085 13.867 1.00 0.00 N ATOM 201 CA SER A 19 3.886 1.712 14.449 1.00 0.00 C ATOM 202 C SER A 19 4.838 1.718 13.277 1.00 0.00 C ATOM 203 O SER A 19 4.736 0.807 12.452 1.00 0.00 O ATOM 204 CB SER A 19 4.433 0.858 15.635 1.00 0.00 C ATOM 205 OG SER A 19 5.687 1.324 16.137 1.00 0.00 O ATOM 0 H SER A 19 2.965 0.214 13.397 1.00 0.00 H new ATOM 0 HA SER A 19 3.709 2.701 14.873 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.702 0.862 16.444 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.542 -0.176 15.309 1.00 0.00 H new ATOM 0 HG SER A 19 5.976 0.751 16.878 1.00 0.00 H new ATOM 211 N SER A 20 5.827 2.668 13.146 1.00 0.00 N ATOM 212 CA SER A 20 6.852 2.515 12.095 1.00 0.00 C ATOM 213 C SER A 20 7.833 1.387 12.495 1.00 0.00 C ATOM 214 O SER A 20 8.629 1.507 13.423 1.00 0.00 O ATOM 215 CB SER A 20 7.625 3.851 11.859 1.00 0.00 C ATOM 216 OG SER A 20 8.143 4.410 13.070 1.00 0.00 O ATOM 0 H SER A 20 5.921 3.499 13.730 1.00 0.00 H new ATOM 0 HA SER A 20 6.356 2.252 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.447 3.673 11.165 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.959 4.573 11.386 1.00 0.00 H new ATOM 0 HG SER A 20 8.563 3.703 13.603 1.00 0.00 H new ATOM 222 N ASN A 21 7.672 0.258 11.760 1.00 0.00 N ATOM 223 CA ASN A 21 8.181 -1.085 12.011 1.00 0.00 C ATOM 224 C ASN A 21 9.382 -1.455 11.174 1.00 0.00 C ATOM 225 O ASN A 21 10.156 -2.345 11.515 1.00 0.00 O ATOM 226 CB ASN A 21 6.953 -2.012 11.680 1.00 0.00 C ATOM 227 CG ASN A 21 7.062 -3.537 11.877 1.00 0.00 C ATOM 228 OD1 ASN A 21 6.838 -4.272 10.908 1.00 0.00 O ATOM 229 ND2 ASN A 21 7.359 -4.020 13.111 1.00 0.00 N ATOM 0 H ASN A 21 7.128 0.284 10.897 1.00 0.00 H new ATOM 0 HA ASN A 21 8.546 -1.180 13.034 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.114 -1.666 12.284 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.688 -1.838 10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.404 -5.027 13.267 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.537 -3.376 13.882 1.00 0.00 H new ATOM 236 N GLY A 22 9.488 -0.775 10.022 1.00 0.00 N ATOM 237 CA GLY A 22 10.470 -0.964 8.974 1.00 0.00 C ATOM 238 C GLY A 22 9.880 -1.558 7.732 1.00 0.00 C ATOM 239 O GLY A 22 10.496 -1.410 6.688 1.00 0.00 O ATOM 0 H GLY A 22 8.835 -0.026 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.927 -0.004 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.266 -1.613 9.340 1.00 0.00 H new ATOM 243 N TYR A 23 8.673 -2.192 7.805 1.00 0.00 N ATOM 244 CA TYR A 23 7.848 -2.682 6.695 1.00 0.00 C ATOM 245 C TYR A 23 6.361 -2.340 6.873 1.00 0.00 C ATOM 246 O TYR A 23 5.879 -2.277 8.004 1.00 0.00 O ATOM 247 CB TYR A 23 7.960 -4.194 6.345 1.00 0.00 C ATOM 248 CG TYR A 23 9.372 -4.723 6.356 1.00 0.00 C ATOM 249 CD1 TYR A 23 9.912 -5.237 7.522 1.00 0.00 C ATOM 250 CD2 TYR A 23 10.137 -4.759 5.202 1.00 0.00 C ATOM 251 CE1 TYR A 23 11.196 -5.748 7.544 1.00 0.00 C ATOM 252 CE2 TYR A 23 11.424 -5.266 5.221 1.00 0.00 C ATOM 253 CZ TYR A 23 11.958 -5.749 6.395 1.00 0.00 C ATOM 254 OH TYR A 23 13.280 -6.241 6.413 1.00 0.00 O ATOM 0 H TYR A 23 8.235 -2.379 8.707 1.00 0.00 H new ATOM 0 HA TYR A 23 8.282 -2.142 5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.363 -4.766 7.055 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.528 -4.361 5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.322 -5.239 8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.724 -4.387 4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.603 -6.147 8.462 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.011 -5.283 4.314 1.00 0.00 H new ATOM 0 HH TYR A 23 13.669 -6.167 5.516 1.00 0.00 H new ATOM 264 N PHE A 24 5.566 -2.153 5.766 1.00 0.00 N ATOM 265 CA PHE A 24 4.110 -1.917 5.778 1.00 0.00 C ATOM 266 C PHE A 24 3.479 -3.072 5.029 1.00 0.00 C ATOM 267 O PHE A 24 4.050 -3.595 4.067 1.00 0.00 O ATOM 268 CB PHE A 24 3.500 -0.553 5.228 1.00 0.00 C ATOM 269 CG PHE A 24 4.468 0.600 5.128 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.430 0.714 6.113 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.447 1.548 4.093 1.00 0.00 C ATOM 272 CE1 PHE A 24 6.610 1.326 5.830 1.00 0.00 C ATOM 273 CE2 PHE A 24 5.607 2.247 3.850 1.00 0.00 C ATOM 274 CZ PHE A 24 6.690 2.033 4.661 1.00 0.00 C ATOM 0 H PHE A 24 5.950 -2.166 4.821 1.00 0.00 H new ATOM 0 HA PHE A 24 3.876 -1.834 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.078 -0.737 4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.676 -0.257 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.246 0.319 7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.555 1.722 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.453 1.257 6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.663 2.952 3.034 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.646 2.439 4.366 1.00 0.00 H new ATOM 284 N TYR A 25 2.250 -3.385 5.500 1.00 0.00 N ATOM 285 CA TYR A 25 1.210 -4.337 5.146 1.00 0.00 C ATOM 286 C TYR A 25 0.211 -3.542 4.314 1.00 0.00 C ATOM 287 O TYR A 25 0.479 -2.395 3.969 1.00 0.00 O ATOM 288 CB TYR A 25 0.629 -4.956 6.463 1.00 0.00 C ATOM 289 CG TYR A 25 1.787 -5.337 7.379 1.00 0.00 C ATOM 290 CD1 TYR A 25 2.704 -6.302 6.992 1.00 0.00 C ATOM 291 CD2 TYR A 25 2.047 -4.628 8.546 1.00 0.00 C ATOM 292 CE1 TYR A 25 3.867 -6.501 7.708 1.00 0.00 C ATOM 293 CE2 TYR A 25 3.222 -4.817 9.256 1.00 0.00 C ATOM 294 CZ TYR A 25 4.145 -5.746 8.827 1.00 0.00 C ATOM 295 OH TYR A 25 5.363 -5.976 9.510 1.00 0.00 O ATOM 0 H TYR A 25 1.919 -2.851 6.304 1.00 0.00 H new ATOM 0 HA TYR A 25 1.549 -5.190 4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.026 -4.240 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.025 -5.834 6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.506 -6.906 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.319 -3.916 8.906 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.568 -7.258 7.387 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.414 -4.236 10.146 1.00 0.00 H new ATOM 0 HH TYR A 25 5.669 -5.141 9.922 1.00 0.00 H new ATOM 305 N SER A 26 -0.948 -4.074 3.867 1.00 0.00 N ATOM 306 CA SER A 26 -1.844 -3.283 3.013 1.00 0.00 C ATOM 307 C SER A 26 -3.365 -3.296 3.241 1.00 0.00 C ATOM 308 O SER A 26 -3.909 -4.105 3.985 1.00 0.00 O ATOM 309 CB SER A 26 -1.463 -3.543 1.558 1.00 0.00 C ATOM 310 OG SER A 26 -1.893 -2.488 0.709 1.00 0.00 O ATOM 0 H SER A 26 -1.273 -5.018 4.078 1.00 0.00 H new ATOM 0 HA SER A 26 -1.659 -2.257 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.382 -3.657 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.907 -4.482 1.227 1.00 0.00 H new ATOM 0 HG SER A 26 -1.200 -2.302 0.042 1.00 0.00 H new ATOM 316 N GLY A 27 -3.989 -2.227 2.665 1.00 0.00 N ATOM 317 CA GLY A 27 -5.264 -1.548 2.845 1.00 0.00 C ATOM 318 C GLY A 27 -6.062 -1.055 1.653 1.00 0.00 C ATOM 319 O GLY A 27 -5.597 -0.938 0.519 1.00 0.00 O ATOM 0 H GLY A 27 -3.484 -1.748 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.910 -2.225 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.078 -0.685 3.484 1.00 0.00 H new ATOM 323 N LYS A 28 -7.345 -0.705 1.934 1.00 0.00 N ATOM 324 CA LYS A 28 -8.235 0.038 1.014 1.00 0.00 C ATOM 325 C LYS A 28 -9.086 1.040 1.810 1.00 0.00 C ATOM 326 O LYS A 28 -9.377 0.794 2.975 1.00 0.00 O ATOM 327 CB LYS A 28 -9.088 -0.826 0.048 1.00 0.00 C ATOM 328 CG LYS A 28 -10.223 -1.687 0.633 1.00 0.00 C ATOM 329 CD LYS A 28 -9.726 -2.952 1.350 1.00 0.00 C ATOM 330 CE LYS A 28 -10.703 -4.134 1.253 1.00 0.00 C ATOM 331 NZ LYS A 28 -12.053 -3.769 1.742 1.00 0.00 N ATOM 0 H LYS A 28 -7.793 -0.937 2.821 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.574 0.574 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.528 -0.158 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.410 -1.491 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.801 -1.085 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.900 -1.977 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.767 -3.248 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.552 -2.720 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.769 -4.468 0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.319 -4.972 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.457 -4.566 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.984 -2.937 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.667 -3.547 0.933 1.00 0.00 H new ATOM 345 N ILE A 29 -9.502 2.225 1.268 1.00 0.00 N ATOM 346 CA ILE A 29 -10.257 3.237 2.049 1.00 0.00 C ATOM 347 C ILE A 29 -11.751 3.348 1.677 1.00 0.00 C ATOM 348 O ILE A 29 -12.179 3.008 0.576 1.00 0.00 O ATOM 349 CB ILE A 29 -9.506 4.574 2.047 1.00 0.00 C ATOM 350 CG1 ILE A 29 -9.993 5.621 3.073 1.00 0.00 C ATOM 351 CG2 ILE A 29 -9.512 5.153 0.641 1.00 0.00 C ATOM 352 CD1 ILE A 29 -9.257 6.950 2.975 1.00 0.00 C ATOM 0 H ILE A 29 -9.325 2.495 0.300 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.298 2.885 3.080 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.492 4.340 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.059 5.793 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.869 5.219 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.979 6.104 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.021 4.458 -0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.541 5.313 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.649 7.639 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.193 6.790 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.402 7.374 1.981 1.00 0.00 H new ATOM 364 N THR A 30 -12.590 3.828 2.637 1.00 0.00 N ATOM 365 CA THR A 30 -14.039 3.992 2.489 1.00 0.00 C ATOM 366 C THR A 30 -14.452 5.443 2.662 1.00 0.00 C ATOM 367 O THR A 30 -15.316 5.926 1.929 1.00 0.00 O ATOM 368 CB THR A 30 -14.843 3.089 3.430 1.00 0.00 C ATOM 369 OG1 THR A 30 -14.411 1.746 3.288 1.00 0.00 O ATOM 370 CG2 THR A 30 -16.354 3.085 3.125 1.00 0.00 C ATOM 0 H THR A 30 -12.253 4.116 3.556 1.00 0.00 H new ATOM 0 HA THR A 30 -14.274 3.680 1.471 1.00 0.00 H new ATOM 0 HB THR A 30 -14.677 3.485 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.926 1.171 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.865 2.426 3.827 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.748 4.097 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.519 2.729 2.108 1.00 0.00 H new ATOM 378 N ARG A 31 -13.859 6.201 3.637 1.00 0.00 N ATOM 379 CA ARG A 31 -14.242 7.594 3.838 1.00 0.00 C ATOM 380 C ARG A 31 -12.991 8.343 4.253 1.00 0.00 C ATOM 381 O ARG A 31 -12.038 7.754 4.768 1.00 0.00 O ATOM 382 CB ARG A 31 -15.326 7.819 4.940 1.00 0.00 C ATOM 383 CG ARG A 31 -16.688 7.140 4.698 1.00 0.00 C ATOM 384 CD ARG A 31 -17.642 7.361 5.883 1.00 0.00 C ATOM 385 NE ARG A 31 -18.930 6.616 5.642 1.00 0.00 N ATOM 386 CZ ARG A 31 -19.116 5.291 5.941 1.00 0.00 C ATOM 387 NH1 ARG A 31 -18.120 4.547 6.505 1.00 0.00 N ATOM 388 NH2 ARG A 31 -20.319 4.706 5.667 1.00 0.00 N ATOM 0 H ARG A 31 -13.135 5.861 4.270 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.679 7.946 2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.929 7.462 5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.491 8.891 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -17.138 7.537 3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.541 6.071 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.177 7.015 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.843 8.425 6.007 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.710 7.129 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.218 4.976 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.278 3.563 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.068 5.254 5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.469 3.721 5.885 1.00 0.00 H new ATOM 402 N ASP A 32 -12.977 9.694 4.123 1.00 0.00 N ATOM 403 CA ASP A 32 -11.922 10.525 4.729 1.00 0.00 C ATOM 404 C ASP A 32 -12.308 10.943 6.168 1.00 0.00 C ATOM 405 O ASP A 32 -13.472 11.203 6.471 1.00 0.00 O ATOM 406 CB ASP A 32 -11.508 11.753 3.849 1.00 0.00 C ATOM 407 CG ASP A 32 -12.622 12.785 3.594 1.00 0.00 C ATOM 408 OD1 ASP A 32 -13.643 12.427 2.952 1.00 0.00 O ATOM 409 OD2 ASP A 32 -12.449 13.953 4.036 1.00 0.00 O ATOM 0 H ASP A 32 -13.681 10.221 3.607 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.030 9.901 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.671 12.258 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.149 11.386 2.888 1.00 0.00 H new ATOM 414 N VAL A 33 -11.319 11.002 7.095 1.00 0.00 N ATOM 415 CA VAL A 33 -11.481 11.434 8.484 1.00 0.00 C ATOM 416 C VAL A 33 -10.574 12.659 8.538 1.00 0.00 C ATOM 417 O VAL A 33 -9.454 12.592 8.064 1.00 0.00 O ATOM 418 CB VAL A 33 -11.267 10.350 9.604 1.00 0.00 C ATOM 419 CG1 VAL A 33 -12.679 9.869 10.007 1.00 0.00 C ATOM 420 CG2 VAL A 33 -10.412 9.105 9.226 1.00 0.00 C ATOM 0 H VAL A 33 -10.358 10.739 6.877 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.519 11.657 8.733 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.695 10.832 10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.597 9.111 10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.258 10.713 10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.180 9.443 9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.342 8.437 10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.882 8.579 8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.412 9.426 8.933 1.00 0.00 H new ATOM 430 N GLY A 34 -11.054 13.832 9.036 1.00 0.00 N ATOM 431 CA GLY A 34 -10.439 15.186 9.102 1.00 0.00 C ATOM 432 C GLY A 34 -9.199 15.603 8.297 1.00 0.00 C ATOM 433 O GLY A 34 -9.199 15.612 7.071 1.00 0.00 O ATOM 0 H GLY A 34 -11.987 13.852 9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.226 15.892 8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.195 15.359 10.150 1.00 0.00 H new ATOM 437 N ALA A 35 -8.103 16.012 8.990 1.00 0.00 N ATOM 438 CA ALA A 35 -6.817 16.392 8.408 1.00 0.00 C ATOM 439 C ALA A 35 -5.797 15.308 8.633 1.00 0.00 C ATOM 440 O ALA A 35 -5.359 15.032 9.748 1.00 0.00 O ATOM 441 CB ALA A 35 -6.342 17.750 8.974 1.00 0.00 C ATOM 0 H ALA A 35 -8.106 16.084 10.007 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.941 16.512 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.383 18.015 8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.077 18.520 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.231 17.674 10.056 1.00 0.00 H new ATOM 447 N GLY A 36 -5.386 14.662 7.517 1.00 0.00 N ATOM 448 CA GLY A 36 -4.412 13.596 7.453 1.00 0.00 C ATOM 449 C GLY A 36 -4.919 12.239 7.802 1.00 0.00 C ATOM 450 O GLY A 36 -4.125 11.306 7.830 1.00 0.00 O ATOM 0 H GLY A 36 -5.758 14.899 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.002 13.563 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.588 13.840 8.124 1.00 0.00 H new ATOM 454 N LYS A 37 -6.233 12.085 8.113 1.00 0.00 N ATOM 455 CA LYS A 37 -6.827 10.832 8.553 1.00 0.00 C ATOM 456 C LYS A 37 -7.634 10.125 7.462 1.00 0.00 C ATOM 457 O LYS A 37 -8.141 10.695 6.496 1.00 0.00 O ATOM 458 CB LYS A 37 -7.472 10.906 9.982 1.00 0.00 C ATOM 459 CG LYS A 37 -7.655 12.266 10.676 1.00 0.00 C ATOM 460 CD LYS A 37 -8.267 12.038 12.070 1.00 0.00 C ATOM 461 CE LYS A 37 -8.350 13.295 12.944 1.00 0.00 C ATOM 462 NZ LYS A 37 -9.254 14.308 12.358 1.00 0.00 N ATOM 0 H LYS A 37 -6.905 12.851 8.058 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.003 10.138 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.456 10.441 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.868 10.284 10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.696 12.776 10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.304 12.909 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.270 11.628 11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.676 11.286 12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.703 13.024 13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.354 13.722 13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.635 14.912 13.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.726 14.893 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.038 13.832 11.868 1.00 0.00 H new ATOM 476 N TYR A 38 -7.726 8.776 7.596 1.00 0.00 N ATOM 477 CA TYR A 38 -8.322 7.833 6.650 1.00 0.00 C ATOM 478 C TYR A 38 -9.230 6.817 7.399 1.00 0.00 C ATOM 479 O TYR A 38 -8.845 6.321 8.463 1.00 0.00 O ATOM 480 CB TYR A 38 -7.144 7.158 5.886 1.00 0.00 C ATOM 481 CG TYR A 38 -6.347 8.221 5.126 1.00 0.00 C ATOM 482 CD1 TYR A 38 -6.964 9.074 4.230 1.00 0.00 C ATOM 483 CD2 TYR A 38 -5.017 8.478 5.416 1.00 0.00 C ATOM 484 CE1 TYR A 38 -6.297 10.139 3.674 1.00 0.00 C ATOM 485 CE2 TYR A 38 -4.290 9.461 4.754 1.00 0.00 C ATOM 486 CZ TYR A 38 -4.960 10.333 3.907 1.00 0.00 C ATOM 487 OH TYR A 38 -4.345 11.448 3.283 1.00 0.00 O ATOM 0 H TYR A 38 -7.360 8.303 8.422 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.974 8.330 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.494 6.635 6.588 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.529 6.412 5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.995 8.899 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.528 7.895 6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.834 10.833 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.223 9.545 4.896 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.264 12.181 3.929 1.00 0.00 H new ATOM 497 N LYS A 39 -10.498 6.538 6.901 1.00 0.00 N ATOM 498 CA LYS A 39 -11.517 5.619 7.469 1.00 0.00 C ATOM 499 C LYS A 39 -11.509 4.531 6.463 1.00 0.00 C ATOM 500 O LYS A 39 -11.917 4.637 5.298 1.00 0.00 O ATOM 501 CB LYS A 39 -12.925 6.262 7.648 1.00 0.00 C ATOM 502 CG LYS A 39 -14.157 5.344 7.455 1.00 0.00 C ATOM 503 CD LYS A 39 -14.280 4.103 8.359 1.00 0.00 C ATOM 504 CE LYS A 39 -14.827 2.907 7.561 1.00 0.00 C ATOM 505 NZ LYS A 39 -13.768 2.184 6.825 1.00 0.00 N ATOM 0 H LYS A 39 -10.832 6.983 6.046 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.289 5.300 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.976 6.688 8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.009 7.091 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.051 5.951 7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.162 5.005 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.305 3.853 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.941 4.321 9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.326 2.218 8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.579 3.259 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.106 1.233 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.531 2.705 5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.921 2.105 7.424 1.00 0.00 H new ATOM 519 N LEU A 40 -10.830 3.479 6.922 1.00 0.00 N ATOM 520 CA LEU A 40 -10.330 2.458 6.061 1.00 0.00 C ATOM 521 C LEU A 40 -10.515 1.061 6.500 1.00 0.00 C ATOM 522 O LEU A 40 -10.804 0.781 7.655 1.00 0.00 O ATOM 523 CB LEU A 40 -8.854 2.797 5.832 1.00 0.00 C ATOM 524 CG LEU A 40 -7.923 2.592 7.055 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.457 2.662 8.493 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.137 1.301 6.843 1.00 0.00 C ATOM 0 H LEU A 40 -10.621 3.330 7.909 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.923 2.469 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.483 2.187 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.783 3.837 5.514 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.330 3.507 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.640 2.490 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.889 3.647 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.222 1.899 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.474 1.135 7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.829 0.464 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.546 1.381 5.931 1.00 0.00 H new ATOM 538 N LEU A 41 -10.295 0.086 5.613 1.00 0.00 N ATOM 539 CA LEU A 41 -10.193 -1.283 6.035 1.00 0.00 C ATOM 540 C LEU A 41 -8.936 -1.865 5.467 1.00 0.00 C ATOM 541 O LEU A 41 -8.479 -1.429 4.427 1.00 0.00 O ATOM 542 CB LEU A 41 -11.566 -1.815 5.651 1.00 0.00 C ATOM 543 CG LEU A 41 -11.954 -3.262 5.988 1.00 0.00 C ATOM 544 CD1 LEU A 41 -13.465 -3.477 5.818 1.00 0.00 C ATOM 545 CD2 LEU A 41 -11.249 -4.233 5.060 1.00 0.00 C ATOM 0 H LEU A 41 -10.187 0.234 4.610 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.041 -1.527 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.307 -1.165 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.669 -1.695 4.573 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.661 -3.440 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.715 -4.509 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.005 -2.805 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.748 -3.270 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.536 -5.253 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.533 -4.022 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.170 -4.122 5.169 1.00 0.00 H new ATOM 557 N PHE A 42 -8.267 -2.882 6.065 1.00 0.00 N ATOM 558 CA PHE A 42 -7.064 -3.468 5.425 1.00 0.00 C ATOM 559 C PHE A 42 -7.422 -4.366 4.223 1.00 0.00 C ATOM 560 O PHE A 42 -8.558 -4.784 4.057 1.00 0.00 O ATOM 561 CB PHE A 42 -6.156 -4.329 6.375 1.00 0.00 C ATOM 562 CG PHE A 42 -5.391 -3.541 7.423 1.00 0.00 C ATOM 563 CD1 PHE A 42 -5.720 -2.264 7.866 1.00 0.00 C ATOM 564 CD2 PHE A 42 -4.305 -4.165 8.016 1.00 0.00 C ATOM 565 CE1 PHE A 42 -4.999 -1.655 8.873 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.591 -3.565 9.035 1.00 0.00 C ATOM 567 CZ PHE A 42 -3.941 -2.306 9.467 1.00 0.00 C ATOM 0 H PHE A 42 -8.528 -3.301 6.958 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.505 -2.585 5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.781 -5.065 6.881 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.441 -4.883 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.551 -1.742 7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.009 -5.145 7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.267 -0.660 9.198 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.760 -4.083 9.492 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.390 -1.832 10.266 1.00 0.00 H new ATOM 577 N ASP A 43 -6.462 -4.777 3.355 1.00 0.00 N ATOM 578 CA ASP A 43 -6.680 -5.635 2.167 1.00 0.00 C ATOM 579 C ASP A 43 -6.979 -7.101 2.514 1.00 0.00 C ATOM 580 O ASP A 43 -7.105 -7.973 1.663 1.00 0.00 O ATOM 581 CB ASP A 43 -5.520 -5.501 1.133 1.00 0.00 C ATOM 582 CG ASP A 43 -5.924 -5.939 -0.283 1.00 0.00 C ATOM 583 OD1 ASP A 43 -6.848 -5.304 -0.857 1.00 0.00 O ATOM 584 OD2 ASP A 43 -5.311 -6.909 -0.800 1.00 0.00 O ATOM 0 H ASP A 43 -5.484 -4.510 3.469 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.586 -5.258 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.184 -4.464 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.673 -6.102 1.465 1.00 0.00 H new ATOM 589 N ASP A 44 -7.057 -7.341 3.840 1.00 0.00 N ATOM 590 CA ASP A 44 -7.329 -8.546 4.573 1.00 0.00 C ATOM 591 C ASP A 44 -8.499 -8.438 5.591 1.00 0.00 C ATOM 592 O ASP A 44 -8.808 -9.435 6.238 1.00 0.00 O ATOM 593 CB ASP A 44 -5.964 -9.050 5.138 1.00 0.00 C ATOM 594 CG ASP A 44 -5.310 -8.089 6.147 1.00 0.00 C ATOM 595 OD1 ASP A 44 -5.796 -8.009 7.307 1.00 0.00 O ATOM 596 OD2 ASP A 44 -4.306 -7.429 5.765 1.00 0.00 O ATOM 0 H ASP A 44 -6.905 -6.570 4.490 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.736 -9.311 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.116 -10.016 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.276 -9.212 4.308 1.00 0.00 H new ATOM 601 N GLY A 45 -9.219 -7.274 5.762 1.00 0.00 N ATOM 602 CA GLY A 45 -10.453 -7.205 6.581 1.00 0.00 C ATOM 603 C GLY A 45 -10.424 -6.534 7.933 1.00 0.00 C ATOM 604 O GLY A 45 -11.417 -6.580 8.653 1.00 0.00 O ATOM 0 H GLY A 45 -8.954 -6.384 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.211 -6.698 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.799 -8.227 6.734 1.00 0.00 H new ATOM 608 N TYR A 46 -9.315 -5.874 8.341 1.00 0.00 N ATOM 609 CA TYR A 46 -9.206 -5.159 9.617 1.00 0.00 C ATOM 610 C TYR A 46 -9.558 -3.676 9.424 1.00 0.00 C ATOM 611 O TYR A 46 -8.756 -2.897 8.921 1.00 0.00 O ATOM 612 CB TYR A 46 -7.780 -5.339 10.251 1.00 0.00 C ATOM 613 CG TYR A 46 -7.657 -4.653 11.597 1.00 0.00 C ATOM 614 CD1 TYR A 46 -8.299 -5.152 12.717 1.00 0.00 C ATOM 615 CD2 TYR A 46 -7.065 -3.406 11.672 1.00 0.00 C ATOM 616 CE1 TYR A 46 -8.379 -4.406 13.878 1.00 0.00 C ATOM 617 CE2 TYR A 46 -7.172 -2.651 12.817 1.00 0.00 C ATOM 618 CZ TYR A 46 -7.830 -3.140 13.920 1.00 0.00 C ATOM 619 OH TYR A 46 -7.978 -2.310 15.048 1.00 0.00 O ATOM 0 H TYR A 46 -8.464 -5.828 7.780 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.921 -5.589 10.318 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -7.568 -6.402 10.367 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.029 -4.937 9.571 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.743 -6.136 12.683 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.515 -3.022 10.826 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.870 -4.813 14.750 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.735 -1.664 12.849 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.521 -1.458 14.889 1.00 0.00 H new ATOM 629 N GLU A 47 -10.769 -3.231 9.842 1.00 0.00 N ATOM 630 CA GLU A 47 -11.217 -1.836 9.746 1.00 0.00 C ATOM 631 C GLU A 47 -11.029 -1.009 10.990 1.00 0.00 C ATOM 632 O GLU A 47 -11.047 -1.500 12.120 1.00 0.00 O ATOM 633 CB GLU A 47 -12.642 -1.703 9.157 1.00 0.00 C ATOM 634 CG GLU A 47 -13.318 -0.310 9.220 1.00 0.00 C ATOM 635 CD GLU A 47 -14.671 -0.399 8.523 1.00 0.00 C ATOM 636 OE1 GLU A 47 -14.698 -0.616 7.283 1.00 0.00 O ATOM 637 OE2 GLU A 47 -15.707 -0.252 9.227 1.00 0.00 O ATOM 0 H GLU A 47 -11.466 -3.847 10.260 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.527 -1.393 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.603 -2.011 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.287 -2.413 9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.445 0.003 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.691 0.438 8.736 1.00 0.00 H new ATOM 644 N CYS A 48 -10.805 0.318 10.755 1.00 0.00 N ATOM 645 CA CYS A 48 -10.492 1.256 11.791 1.00 0.00 C ATOM 646 C CYS A 48 -10.703 2.615 11.170 1.00 0.00 C ATOM 647 O CYS A 48 -10.972 2.721 9.973 1.00 0.00 O ATOM 648 CB CYS A 48 -9.007 1.054 12.264 1.00 0.00 C ATOM 649 SG CYS A 48 -7.774 0.519 11.018 1.00 0.00 S ATOM 0 H CYS A 48 -10.845 0.734 9.825 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.115 1.132 12.677 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.662 1.995 12.693 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.010 0.319 13.069 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.336 -0.667 11.322 1.00 0.00 H new ATOM 655 N ASP A 49 -10.515 3.709 11.948 1.00 0.00 N ATOM 656 CA ASP A 49 -10.347 5.053 11.407 1.00 0.00 C ATOM 657 C ASP A 49 -9.033 5.389 12.077 1.00 0.00 C ATOM 658 O ASP A 49 -8.853 5.063 13.255 1.00 0.00 O ATOM 659 CB ASP A 49 -11.321 6.200 11.847 1.00 0.00 C ATOM 660 CG ASP A 49 -12.786 5.759 11.851 1.00 0.00 C ATOM 661 OD1 ASP A 49 -13.151 4.899 12.697 1.00 0.00 O ATOM 662 OD2 ASP A 49 -13.569 6.297 11.025 1.00 0.00 O ATOM 0 H ASP A 49 -10.478 3.670 12.967 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.478 5.021 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.046 6.542 12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.203 7.050 11.174 1.00 0.00 H new ATOM 667 N VAL A 50 -8.081 6.004 11.363 1.00 0.00 N ATOM 668 CA VAL A 50 -6.771 6.294 11.910 1.00 0.00 C ATOM 669 C VAL A 50 -6.246 7.547 11.309 1.00 0.00 C ATOM 670 O VAL A 50 -6.719 7.966 10.252 1.00 0.00 O ATOM 671 CB VAL A 50 -5.732 5.227 11.546 1.00 0.00 C ATOM 672 CG1 VAL A 50 -6.022 3.968 12.359 1.00 0.00 C ATOM 673 CG2 VAL A 50 -5.747 4.959 10.021 1.00 0.00 C ATOM 0 H VAL A 50 -8.206 6.308 10.398 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.906 6.350 12.990 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.728 5.573 11.792 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.291 3.198 12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.959 4.199 13.422 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.023 3.606 12.125 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.004 4.199 9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.735 4.609 9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.512 5.880 9.487 1.00 0.00 H new ATOM 683 N LEU A 51 -5.156 8.111 11.918 1.00 0.00 N ATOM 684 CA LEU A 51 -4.354 9.191 11.363 1.00 0.00 C ATOM 685 C LEU A 51 -3.343 8.574 10.437 1.00 0.00 C ATOM 686 O LEU A 51 -2.858 7.466 10.651 1.00 0.00 O ATOM 687 CB LEU A 51 -3.708 10.019 12.508 1.00 0.00 C ATOM 688 CG LEU A 51 -3.271 11.474 12.213 1.00 0.00 C ATOM 689 CD1 LEU A 51 -2.091 11.641 11.245 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.443 12.332 11.748 1.00 0.00 C ATOM 0 H LEU A 51 -4.823 7.801 12.831 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.963 9.893 10.794 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.416 10.047 13.336 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.831 9.474 12.857 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.905 11.823 13.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.875 12.701 11.114 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.213 11.139 11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.346 11.201 10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.096 13.346 11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.864 11.909 10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.208 12.355 12.524 1.00 0.00 H new ATOM 702 N GLY A 52 -3.166 9.211 9.257 1.00 0.00 N ATOM 703 CA GLY A 52 -2.731 8.543 8.049 1.00 0.00 C ATOM 704 C GLY A 52 -1.316 8.090 7.990 1.00 0.00 C ATOM 705 O GLY A 52 -1.032 7.132 7.299 1.00 0.00 O ATOM 0 H GLY A 52 -3.327 10.211 9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.370 7.673 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.904 9.217 7.210 1.00 0.00 H new ATOM 709 N LYS A 53 -0.349 8.690 8.745 1.00 0.00 N ATOM 710 CA LYS A 53 1.096 8.327 8.714 1.00 0.00 C ATOM 711 C LYS A 53 1.436 6.860 9.119 1.00 0.00 C ATOM 712 O LYS A 53 2.578 6.429 9.012 1.00 0.00 O ATOM 713 CB LYS A 53 1.969 9.307 9.575 1.00 0.00 C ATOM 714 CG LYS A 53 2.140 9.038 11.099 1.00 0.00 C ATOM 715 CD LYS A 53 0.854 9.112 11.941 1.00 0.00 C ATOM 716 CE LYS A 53 1.010 8.542 13.360 1.00 0.00 C ATOM 717 NZ LYS A 53 -0.242 8.717 14.134 1.00 0.00 N ATOM 0 H LYS A 53 -0.556 9.446 9.398 1.00 0.00 H new ATOM 0 HA LYS A 53 1.345 8.420 7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.965 9.332 9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.546 10.305 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.579 8.049 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.855 9.758 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.535 10.152 12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.062 8.569 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.266 7.484 13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.832 9.043 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.117 8.326 15.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.470 9.729 14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.019 8.219 13.655 1.00 0.00 H new ATOM 731 N ASP A 54 0.363 6.125 9.517 1.00 0.00 N ATOM 732 CA ASP A 54 0.126 4.734 9.802 1.00 0.00 C ATOM 733 C ASP A 54 -0.646 4.121 8.619 1.00 0.00 C ATOM 734 O ASP A 54 -0.093 3.422 7.783 1.00 0.00 O ATOM 735 CB ASP A 54 -0.729 4.564 11.100 1.00 0.00 C ATOM 736 CG ASP A 54 0.062 4.949 12.356 1.00 0.00 C ATOM 737 OD1 ASP A 54 1.318 5.006 12.296 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.598 5.171 13.408 1.00 0.00 O ATOM 0 H ASP A 54 -0.512 6.628 9.665 1.00 0.00 H new ATOM 0 HA ASP A 54 1.084 4.236 9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.624 5.183 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.062 3.530 11.183 1.00 0.00 H new ATOM 743 N ILE A 55 -1.990 4.326 8.477 1.00 0.00 N ATOM 744 CA ILE A 55 -2.763 3.701 7.381 1.00 0.00 C ATOM 745 C ILE A 55 -3.315 4.768 6.403 1.00 0.00 C ATOM 746 O ILE A 55 -4.284 5.472 6.697 1.00 0.00 O ATOM 747 CB ILE A 55 -3.814 2.693 7.885 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.527 2.102 9.307 1.00 0.00 C ATOM 749 CG2 ILE A 55 -3.959 1.577 6.827 1.00 0.00 C ATOM 750 CD1 ILE A 55 -2.347 1.136 9.469 1.00 0.00 C ATOM 0 H ILE A 55 -2.545 4.911 9.102 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.074 3.090 6.798 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.751 3.235 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.368 2.938 9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.427 1.586 9.640 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.699 0.851 7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.281 2.012 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.999 1.079 6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.279 0.815 10.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.499 0.266 8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.423 1.639 9.184 1.00 0.00 H new ATOM 762 N LEU A 56 -2.616 4.926 5.231 1.00 0.00 N ATOM 763 CA LEU A 56 -2.768 6.014 4.232 1.00 0.00 C ATOM 764 C LEU A 56 -2.822 5.748 2.764 1.00 0.00 C ATOM 765 O LEU A 56 -2.247 4.761 2.326 1.00 0.00 O ATOM 766 CB LEU A 56 -1.770 7.182 4.352 1.00 0.00 C ATOM 767 CG LEU A 56 -0.275 6.824 4.185 1.00 0.00 C ATOM 768 CD1 LEU A 56 0.218 6.588 2.727 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.512 7.960 4.827 1.00 0.00 C ATOM 0 H LEU A 56 -1.897 4.258 4.954 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.783 6.232 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.028 7.931 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.904 7.648 5.328 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.118 5.857 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.280 6.344 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.339 5.763 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.058 7.491 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.580 7.759 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.276 8.897 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.244 8.038 5.881 1.00 0.00 H new ATOM 781 N LEU A 57 -3.348 6.766 1.995 1.00 0.00 N ATOM 782 CA LEU A 57 -3.413 7.040 0.580 1.00 0.00 C ATOM 783 C LEU A 57 -2.107 6.903 -0.175 1.00 0.00 C ATOM 784 O LEU A 57 -1.123 7.620 -0.108 1.00 0.00 O ATOM 785 CB LEU A 57 -3.899 8.573 0.590 1.00 0.00 C ATOM 786 CG LEU A 57 -3.003 9.857 0.658 1.00 0.00 C ATOM 787 CD1 LEU A 57 -1.975 9.921 1.790 1.00 0.00 C ATOM 788 CD2 LEU A 57 -2.461 10.337 -0.708 1.00 0.00 C ATOM 0 H LEU A 57 -3.811 7.530 2.488 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.054 6.327 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.499 8.690 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.579 8.653 1.438 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.730 10.611 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.421 10.857 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.488 9.868 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.283 9.083 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.852 11.230 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.852 9.551 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.296 10.569 -1.369 1.00 0.00 H new ATOM 800 N CYS A 58 -2.048 5.778 -0.865 1.00 0.00 N ATOM 801 CA CYS A 58 -0.959 5.234 -1.555 1.00 0.00 C ATOM 802 C CYS A 58 -1.293 4.970 -3.001 1.00 0.00 C ATOM 803 O CYS A 58 -2.406 5.109 -3.508 1.00 0.00 O ATOM 804 CB CYS A 58 -0.538 4.001 -0.722 1.00 0.00 C ATOM 805 SG CYS A 58 1.164 4.187 -0.141 1.00 0.00 S ATOM 0 H CYS A 58 -2.870 5.179 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.111 5.914 -1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.209 3.882 0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.627 3.098 -1.326 1.00 0.00 H new ATOM 0 HG CYS A 58 1.952 4.374 -1.158 1.00 0.00 H new ATOM 811 N ASP A 59 -0.217 4.565 -3.657 1.00 0.00 N ATOM 812 CA ASP A 59 -0.065 4.108 -5.032 1.00 0.00 C ATOM 813 C ASP A 59 0.216 2.598 -5.134 1.00 0.00 C ATOM 814 O ASP A 59 -0.295 2.036 -6.104 1.00 0.00 O ATOM 815 CB ASP A 59 0.993 4.918 -5.850 1.00 0.00 C ATOM 816 CG ASP A 59 0.577 6.392 -5.904 1.00 0.00 C ATOM 817 OD1 ASP A 59 -0.499 6.682 -6.492 1.00 0.00 O ATOM 818 OD2 ASP A 59 1.331 7.240 -5.359 1.00 0.00 O ATOM 0 H ASP A 59 0.683 4.546 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.036 4.300 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.976 4.823 -5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.075 4.515 -6.859 1.00 0.00 H new ATOM 823 N PRO A 60 0.947 1.812 -4.268 1.00 0.00 N ATOM 824 CA PRO A 60 1.563 2.137 -2.982 1.00 0.00 C ATOM 825 C PRO A 60 2.761 3.015 -3.115 1.00 0.00 C ATOM 826 O PRO A 60 2.732 4.191 -2.761 1.00 0.00 O ATOM 827 CB PRO A 60 2.000 0.775 -2.358 1.00 0.00 C ATOM 828 CG PRO A 60 1.985 -0.246 -3.501 1.00 0.00 C ATOM 829 CD PRO A 60 1.086 0.389 -4.563 1.00 0.00 C ATOM 0 HA PRO A 60 0.848 2.684 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.994 0.850 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.319 0.476 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.989 -0.427 -3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.592 -1.208 -3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.516 0.249 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.108 -0.093 -4.568 1.00 0.00 H new ATOM 837 N ILE A 61 3.831 2.384 -3.584 1.00 0.00 N ATOM 838 CA ILE A 61 5.156 2.891 -3.665 1.00 0.00 C ATOM 839 C ILE A 61 5.418 2.972 -5.158 1.00 0.00 C ATOM 840 O ILE A 61 4.688 2.337 -5.911 1.00 0.00 O ATOM 841 CB ILE A 61 5.984 2.068 -2.682 1.00 0.00 C ATOM 842 CG1 ILE A 61 6.584 2.898 -1.536 1.00 0.00 C ATOM 843 CG2 ILE A 61 7.222 1.459 -3.295 1.00 0.00 C ATOM 844 CD1 ILE A 61 5.714 3.931 -0.862 1.00 0.00 C ATOM 0 H ILE A 61 3.767 1.430 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 61 5.415 3.895 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 61 5.254 1.330 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.929 2.204 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.466 3.409 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.760 0.889 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.935 0.797 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.865 2.251 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.283 4.429 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.388 4.667 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.843 3.444 -0.425 1.00 0.00 H new ATOM 856 N PRO A 62 6.382 3.754 -5.631 1.00 0.00 N ATOM 857 CA PRO A 62 6.408 4.380 -6.968 1.00 0.00 C ATOM 858 C PRO A 62 6.478 3.443 -8.199 1.00 0.00 C ATOM 859 O PRO A 62 7.304 2.550 -8.180 1.00 0.00 O ATOM 860 CB PRO A 62 7.647 5.320 -6.787 1.00 0.00 C ATOM 861 CG PRO A 62 7.588 5.692 -5.303 1.00 0.00 C ATOM 862 CD PRO A 62 7.355 4.354 -4.734 1.00 0.00 C ATOM 0 HA PRO A 62 5.470 4.871 -7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.578 4.812 -7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.582 6.201 -7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.513 6.145 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.783 6.391 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.275 3.771 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.974 4.415 -3.715 1.00 0.00 H new ATOM 870 N LEU A 63 5.691 3.614 -9.306 1.00 0.00 N ATOM 871 CA LEU A 63 5.551 2.909 -10.622 1.00 0.00 C ATOM 872 C LEU A 63 6.721 2.344 -11.452 1.00 0.00 C ATOM 873 O LEU A 63 6.678 2.104 -12.661 1.00 0.00 O ATOM 874 CB LEU A 63 4.560 3.730 -11.456 1.00 0.00 C ATOM 875 CG LEU A 63 3.184 3.737 -10.767 1.00 0.00 C ATOM 876 CD1 LEU A 63 2.730 5.117 -10.250 1.00 0.00 C ATOM 877 CD2 LEU A 63 2.227 3.070 -11.751 1.00 0.00 C ATOM 0 H LEU A 63 5.025 4.386 -9.288 1.00 0.00 H new ATOM 0 HA LEU A 63 5.231 1.917 -10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.925 4.751 -11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.474 3.307 -12.457 1.00 0.00 H new ATOM 0 HG LEU A 63 3.218 3.177 -9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.751 5.025 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.450 5.487 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.668 5.816 -11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.225 3.042 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.207 3.638 -12.681 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.564 2.053 -11.954 1.00 0.00 H new ATOM 889 N ASP A 64 7.824 2.256 -10.746 1.00 0.00 N ATOM 890 CA ASP A 64 9.182 1.921 -11.072 1.00 0.00 C ATOM 891 C ASP A 64 9.784 1.104 -9.939 1.00 0.00 C ATOM 892 O ASP A 64 10.992 1.158 -9.720 1.00 0.00 O ATOM 893 CB ASP A 64 9.856 3.316 -10.932 1.00 0.00 C ATOM 894 CG ASP A 64 9.644 4.155 -12.193 1.00 0.00 C ATOM 895 OD1 ASP A 64 10.167 3.751 -13.265 1.00 0.00 O ATOM 896 OD2 ASP A 64 8.957 5.208 -12.099 1.00 0.00 O ATOM 0 H ASP A 64 7.767 2.457 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 64 9.286 1.392 -12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.443 3.839 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.923 3.192 -10.749 1.00 0.00 H new ATOM 901 N THR A 65 8.957 0.457 -9.074 1.00 0.00 N ATOM 902 CA THR A 65 9.450 0.065 -7.762 1.00 0.00 C ATOM 903 C THR A 65 9.520 -1.349 -7.512 1.00 0.00 C ATOM 904 O THR A 65 8.530 -1.992 -7.219 1.00 0.00 O ATOM 905 CB THR A 65 8.867 0.729 -6.507 1.00 0.00 C ATOM 906 OG1 THR A 65 9.128 2.116 -6.527 1.00 0.00 O ATOM 907 CG2 THR A 65 9.574 0.264 -5.224 1.00 0.00 C ATOM 0 H THR A 65 7.986 0.212 -9.267 1.00 0.00 H new ATOM 0 HA THR A 65 10.447 0.484 -7.896 1.00 0.00 H new ATOM 0 HB THR A 65 7.807 0.473 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.686 2.521 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.128 0.760 -4.362 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.464 -0.815 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.633 0.517 -5.280 1.00 0.00 H new ATOM 915 N GLU A 66 10.762 -1.823 -7.395 1.00 0.00 N ATOM 916 CA GLU A 66 11.093 -3.103 -6.761 1.00 0.00 C ATOM 917 C GLU A 66 10.790 -3.089 -5.245 1.00 0.00 C ATOM 918 O GLU A 66 11.556 -2.661 -4.393 1.00 0.00 O ATOM 919 CB GLU A 66 12.522 -3.605 -7.125 1.00 0.00 C ATOM 920 CG GLU A 66 13.714 -2.834 -6.526 1.00 0.00 C ATOM 921 CD GLU A 66 15.015 -3.352 -7.138 1.00 0.00 C ATOM 922 OE1 GLU A 66 15.328 -4.555 -6.933 1.00 0.00 O ATOM 923 OE2 GLU A 66 15.713 -2.551 -7.815 1.00 0.00 O ATOM 0 H GLU A 66 11.579 -1.322 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 66 10.427 -3.855 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.603 -4.647 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.620 -3.588 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.607 -1.767 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.734 -2.958 -5.443 1.00 0.00 H new ATOM 930 N VAL A 67 9.572 -3.604 -4.950 1.00 0.00 N ATOM 931 CA VAL A 67 8.846 -3.804 -3.697 1.00 0.00 C ATOM 932 C VAL A 67 9.068 -5.221 -3.360 1.00 0.00 C ATOM 933 O VAL A 67 9.588 -5.968 -4.166 1.00 0.00 O ATOM 934 CB VAL A 67 7.333 -3.546 -3.723 1.00 0.00 C ATOM 935 CG1 VAL A 67 7.034 -2.339 -2.817 1.00 0.00 C ATOM 936 CG2 VAL A 67 6.777 -3.440 -5.134 1.00 0.00 C ATOM 0 H VAL A 67 8.995 -3.938 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 67 9.222 -3.074 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 67 6.799 -4.406 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.963 -2.138 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.358 -2.558 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.569 -1.465 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.703 -3.257 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.264 -2.616 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.965 -4.370 -5.670 1.00 0.00 H new ATOM 946 N THR A 68 8.679 -5.661 -2.162 1.00 0.00 N ATOM 947 CA THR A 68 8.951 -7.041 -1.747 1.00 0.00 C ATOM 948 C THR A 68 7.721 -7.860 -2.069 1.00 0.00 C ATOM 949 O THR A 68 6.594 -7.442 -1.842 1.00 0.00 O ATOM 950 CB THR A 68 9.478 -7.087 -0.320 1.00 0.00 C ATOM 951 OG1 THR A 68 9.474 -8.366 0.315 1.00 0.00 O ATOM 952 CG2 THR A 68 8.582 -6.135 0.443 1.00 0.00 C ATOM 0 H THR A 68 8.184 -5.095 -1.473 1.00 0.00 H new ATOM 0 HA THR A 68 9.768 -7.504 -2.300 1.00 0.00 H new ATOM 0 HB THR A 68 10.535 -6.821 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.886 -8.293 1.201 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.890 -6.104 1.488 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.661 -5.137 0.012 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.549 -6.477 0.379 1.00 0.00 H new ATOM 960 N ALA A 69 7.890 -9.040 -2.677 1.00 0.00 N ATOM 961 CA ALA A 69 6.811 -9.884 -3.117 1.00 0.00 C ATOM 962 C ALA A 69 6.606 -10.982 -2.103 1.00 0.00 C ATOM 963 O ALA A 69 7.574 -11.487 -1.533 1.00 0.00 O ATOM 964 CB ALA A 69 7.232 -10.406 -4.493 1.00 0.00 C ATOM 0 H ALA A 69 8.812 -9.430 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 69 5.856 -9.366 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.453 -11.058 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.381 -9.566 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.162 -10.967 -4.400 1.00 0.00 H new ATOM 970 N LEU A 70 5.337 -11.371 -1.803 1.00 0.00 N ATOM 971 CA LEU A 70 5.030 -12.367 -0.765 1.00 0.00 C ATOM 972 C LEU A 70 5.518 -13.802 -1.018 1.00 0.00 C ATOM 973 O LEU A 70 4.995 -14.636 -1.757 1.00 0.00 O ATOM 974 CB LEU A 70 3.576 -12.368 -0.302 1.00 0.00 C ATOM 975 CG LEU A 70 3.347 -12.555 1.228 1.00 0.00 C ATOM 976 CD1 LEU A 70 3.967 -13.794 1.899 1.00 0.00 C ATOM 977 CD2 LEU A 70 3.767 -11.302 2.011 1.00 0.00 C ATOM 0 H LEU A 70 4.512 -11.001 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 70 5.646 -11.995 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.118 -11.427 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.048 -13.163 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 70 2.272 -12.726 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.725 -13.791 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.566 -14.697 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.049 -13.773 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.595 -11.463 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.825 -11.104 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.179 -10.448 1.674 1.00 0.00 H new ATOM 989 N SER A 71 6.637 -13.983 -0.332 1.00 0.00 N ATOM 990 CA SER A 71 7.592 -15.029 -0.158 1.00 0.00 C ATOM 991 C SER A 71 7.781 -14.915 1.330 1.00 0.00 C ATOM 992 O SER A 71 7.295 -13.957 1.929 1.00 0.00 O ATOM 993 CB SER A 71 8.897 -14.782 -0.948 1.00 0.00 C ATOM 994 OG SER A 71 8.670 -14.967 -2.338 1.00 0.00 O ATOM 0 H SER A 71 6.944 -13.197 0.242 1.00 0.00 H new ATOM 0 HA SER A 71 7.287 -16.011 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.257 -13.770 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.674 -15.465 -0.605 1.00 0.00 H new ATOM 0 HG SER A 71 9.502 -14.806 -2.830 1.00 0.00 H new ATOM 1000 N GLU A 72 8.450 -15.875 1.988 1.00 0.00 N ATOM 1001 CA GLU A 72 8.685 -16.016 3.421 1.00 0.00 C ATOM 1002 C GLU A 72 8.962 -14.787 4.312 1.00 0.00 C ATOM 1003 O GLU A 72 9.389 -13.716 3.896 1.00 0.00 O ATOM 1004 CB GLU A 72 9.887 -16.974 3.618 1.00 0.00 C ATOM 1005 CG GLU A 72 10.713 -17.263 2.354 1.00 0.00 C ATOM 1006 CD GLU A 72 10.118 -18.354 1.462 1.00 0.00 C ATOM 1007 OE1 GLU A 72 9.859 -19.471 1.984 1.00 0.00 O ATOM 1008 OE2 GLU A 72 9.924 -18.087 0.246 1.00 0.00 O ATOM 0 H GLU A 72 8.879 -16.644 1.473 1.00 0.00 H new ATOM 0 HA GLU A 72 7.707 -16.355 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.548 -16.550 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.515 -17.920 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.806 -16.344 1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.720 -17.558 2.649 1.00 0.00 H new ATOM 1015 N ASP A 73 8.669 -14.998 5.615 1.00 0.00 N ATOM 1016 CA ASP A 73 8.497 -14.017 6.701 1.00 0.00 C ATOM 1017 C ASP A 73 9.525 -12.920 6.921 1.00 0.00 C ATOM 1018 O ASP A 73 9.167 -11.750 6.937 1.00 0.00 O ATOM 1019 CB ASP A 73 8.257 -14.729 8.066 1.00 0.00 C ATOM 1020 CG ASP A 73 7.083 -15.707 7.950 1.00 0.00 C ATOM 1021 OD1 ASP A 73 5.943 -15.236 7.695 1.00 0.00 O ATOM 1022 OD2 ASP A 73 7.314 -16.934 8.117 1.00 0.00 O ATOM 0 H ASP A 73 8.535 -15.948 5.961 1.00 0.00 H new ATOM 0 HA ASP A 73 7.633 -13.475 6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.157 -15.264 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.049 -13.989 8.839 1.00 0.00 H new ATOM 1027 N GLU A 74 10.823 -13.267 7.014 1.00 0.00 N ATOM 1028 CA GLU A 74 11.936 -12.328 7.057 1.00 0.00 C ATOM 1029 C GLU A 74 12.738 -12.428 5.764 1.00 0.00 C ATOM 1030 O GLU A 74 13.679 -11.682 5.517 1.00 0.00 O ATOM 1031 CB GLU A 74 12.787 -12.634 8.324 1.00 0.00 C ATOM 1032 CG GLU A 74 13.924 -11.640 8.638 1.00 0.00 C ATOM 1033 CD GLU A 74 14.618 -11.984 9.960 1.00 0.00 C ATOM 1034 OE1 GLU A 74 14.249 -13.003 10.600 1.00 0.00 O ATOM 1035 OE2 GLU A 74 15.542 -11.216 10.343 1.00 0.00 O ATOM 0 H GLU A 74 11.124 -14.240 7.062 1.00 0.00 H new ATOM 0 HA GLU A 74 11.586 -11.298 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.119 -12.673 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.222 -13.627 8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.654 -11.652 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.521 -10.628 8.689 1.00 0.00 H new ATOM 1042 N TYR A 75 12.408 -13.449 4.931 1.00 0.00 N ATOM 1043 CA TYR A 75 13.245 -13.928 3.837 1.00 0.00 C ATOM 1044 C TYR A 75 12.741 -13.640 2.427 1.00 0.00 C ATOM 1045 O TYR A 75 13.382 -14.061 1.467 1.00 0.00 O ATOM 1046 CB TYR A 75 13.578 -15.444 4.028 1.00 0.00 C ATOM 1047 CG TYR A 75 13.870 -15.769 5.477 1.00 0.00 C ATOM 1048 CD1 TYR A 75 15.145 -15.600 5.988 1.00 0.00 C ATOM 1049 CD2 TYR A 75 12.857 -16.176 6.337 1.00 0.00 C ATOM 1050 CE1 TYR A 75 15.404 -15.817 7.329 1.00 0.00 C ATOM 1051 CE2 TYR A 75 13.115 -16.397 7.675 1.00 0.00 C ATOM 1052 CZ TYR A 75 14.384 -16.208 8.172 1.00 0.00 C ATOM 1053 OH TYR A 75 14.609 -16.395 9.550 1.00 0.00 O ATOM 0 H TYR A 75 11.531 -13.963 5.016 1.00 0.00 H new ATOM 0 HA TYR A 75 14.156 -13.333 3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.740 -16.048 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 75 14.439 -15.709 3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.947 -15.295 5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.857 -16.321 5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 75 16.403 -15.681 7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.320 -16.718 8.332 1.00 0.00 H new ATOM 0 HH TYR A 75 13.774 -16.669 9.984 1.00 0.00 H new ATOM 1063 N PHE A 76 11.615 -12.883 2.288 1.00 0.00 N ATOM 1064 CA PHE A 76 10.980 -12.370 1.055 1.00 0.00 C ATOM 1065 C PHE A 76 11.831 -11.526 0.086 1.00 0.00 C ATOM 1066 O PHE A 76 12.888 -11.007 0.435 1.00 0.00 O ATOM 1067 CB PHE A 76 9.631 -11.621 1.325 1.00 0.00 C ATOM 1068 CG PHE A 76 9.501 -10.781 2.578 1.00 0.00 C ATOM 1069 CD1 PHE A 76 10.528 -10.062 3.171 1.00 0.00 C ATOM 1070 CD2 PHE A 76 8.242 -10.717 3.153 1.00 0.00 C ATOM 1071 CE1 PHE A 76 10.296 -9.326 4.318 1.00 0.00 C ATOM 1072 CE2 PHE A 76 8.004 -9.984 4.294 1.00 0.00 C ATOM 1073 CZ PHE A 76 9.034 -9.279 4.881 1.00 0.00 C ATOM 0 H PHE A 76 11.088 -12.595 3.113 1.00 0.00 H new ATOM 0 HA PHE A 76 10.813 -13.311 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.437 -10.972 0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.837 -12.368 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.515 -10.077 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.426 -11.256 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.108 -8.783 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.015 -9.961 4.727 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.856 -8.696 5.772 1.00 0.00 H new ATOM 1083 N SER A 77 11.427 -11.424 -1.213 1.00 0.00 N ATOM 1084 CA SER A 77 12.310 -10.780 -2.220 1.00 0.00 C ATOM 1085 C SER A 77 11.564 -9.918 -3.205 1.00 0.00 C ATOM 1086 O SER A 77 10.351 -10.020 -3.344 1.00 0.00 O ATOM 1087 CB SER A 77 13.267 -11.771 -2.950 1.00 0.00 C ATOM 1088 OG SER A 77 14.349 -12.122 -2.089 1.00 0.00 O ATOM 0 H SER A 77 10.535 -11.764 -1.573 1.00 0.00 H new ATOM 0 HA SER A 77 12.943 -10.119 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.721 -12.667 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.650 -11.315 -3.863 1.00 0.00 H new ATOM 0 HG SER A 77 14.169 -11.790 -1.185 1.00 0.00 H new ATOM 1094 N ALA A 78 12.270 -8.975 -3.895 1.00 0.00 N ATOM 1095 CA ALA A 78 11.669 -7.970 -4.764 1.00 0.00 C ATOM 1096 C ALA A 78 11.208 -8.302 -6.191 1.00 0.00 C ATOM 1097 O ALA A 78 11.740 -9.169 -6.884 1.00 0.00 O ATOM 1098 CB ALA A 78 12.454 -6.632 -4.663 1.00 0.00 C ATOM 0 H ALA A 78 13.287 -8.908 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 78 10.672 -7.898 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.995 -5.890 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.430 -6.273 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.488 -6.793 -4.967 1.00 0.00 H new ATOM 1104 N GLY A 79 10.160 -7.537 -6.620 1.00 0.00 N ATOM 1105 CA GLY A 79 9.503 -7.518 -7.920 1.00 0.00 C ATOM 1106 C GLY A 79 8.908 -6.147 -7.995 1.00 0.00 C ATOM 1107 O GLY A 79 8.827 -5.455 -6.988 1.00 0.00 O ATOM 0 H GLY A 79 9.730 -6.862 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.212 -7.692 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.738 -8.291 -7.994 1.00 0.00 H new ATOM 1111 N VAL A 80 8.564 -5.673 -9.199 1.00 0.00 N ATOM 1112 CA VAL A 80 8.336 -4.278 -9.489 1.00 0.00 C ATOM 1113 C VAL A 80 6.921 -3.857 -9.636 1.00 0.00 C ATOM 1114 O VAL A 80 6.263 -4.365 -10.535 1.00 0.00 O ATOM 1115 CB VAL A 80 9.101 -3.987 -10.790 1.00 0.00 C ATOM 1116 CG1 VAL A 80 8.955 -2.550 -11.340 1.00 0.00 C ATOM 1117 CG2 VAL A 80 10.585 -4.167 -10.458 1.00 0.00 C ATOM 0 H VAL A 80 8.437 -6.277 -10.011 1.00 0.00 H new ATOM 0 HA VAL A 80 8.681 -3.707 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 80 8.696 -4.656 -11.550 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.533 -2.451 -12.259 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.905 -2.345 -11.549 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.324 -1.838 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.183 -3.973 -11.348 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.869 -3.469 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.761 -5.188 -10.119 1.00 0.00 H new ATOM 1127 N VAL A 81 6.405 -2.835 -8.862 1.00 0.00 N ATOM 1128 CA VAL A 81 5.121 -2.213 -9.299 1.00 0.00 C ATOM 1129 C VAL A 81 5.298 -1.421 -10.626 1.00 0.00 C ATOM 1130 O VAL A 81 6.214 -0.586 -10.691 1.00 0.00 O ATOM 1131 CB VAL A 81 4.397 -1.269 -8.284 1.00 0.00 C ATOM 1132 CG1 VAL A 81 4.645 -1.645 -6.824 1.00 0.00 C ATOM 1133 CG2 VAL A 81 4.729 0.241 -8.395 1.00 0.00 C ATOM 0 H VAL A 81 6.822 -2.460 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 81 4.479 -3.087 -9.410 1.00 0.00 H new ATOM 0 HB VAL A 81 3.358 -1.423 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.114 -0.950 -6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.285 -2.658 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.713 -1.596 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.168 0.793 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.797 0.391 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.456 0.602 -9.387 1.00 0.00 H new ATOM 1143 N LYS A 82 4.459 -1.743 -11.667 1.00 0.00 N ATOM 1144 CA LYS A 82 4.478 -1.088 -12.980 1.00 0.00 C ATOM 1145 C LYS A 82 3.109 -0.545 -13.366 1.00 0.00 C ATOM 1146 O LYS A 82 3.010 0.601 -13.795 1.00 0.00 O ATOM 1147 CB LYS A 82 5.010 -1.977 -14.136 1.00 0.00 C ATOM 1148 CG LYS A 82 6.512 -2.266 -14.032 1.00 0.00 C ATOM 1149 CD LYS A 82 7.072 -2.949 -15.286 1.00 0.00 C ATOM 1150 CE LYS A 82 8.591 -3.150 -15.222 1.00 0.00 C ATOM 1151 NZ LYS A 82 9.087 -3.829 -16.441 1.00 0.00 N ATOM 0 H LYS A 82 3.752 -2.474 -11.595 1.00 0.00 H new ATOM 0 HA LYS A 82 5.184 -0.267 -12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.464 -2.921 -14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.806 -1.486 -15.087 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.047 -1.331 -13.863 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.697 -2.900 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.587 -3.916 -15.415 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.826 -2.349 -16.162 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.085 -2.185 -15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.847 -3.741 -14.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.560 -4.717 -16.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.287 -4.038 -17.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.763 -3.210 -16.932 1.00 0.00 H new ATOM 1165 N GLY A 83 1.994 -1.318 -13.234 1.00 0.00 N ATOM 1166 CA GLY A 83 0.659 -0.803 -13.583 1.00 0.00 C ATOM 1167 C GLY A 83 -0.402 -1.333 -12.655 1.00 0.00 C ATOM 1168 O GLY A 83 -0.353 -2.498 -12.242 1.00 0.00 O ATOM 0 H GLY A 83 2.002 -2.280 -12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.667 0.286 -13.542 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.418 -1.082 -14.609 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.428 -0.516 -12.300 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.474 -0.929 -11.368 1.00 0.00 C ATOM 1174 C HIS A 84 -3.896 -0.546 -11.708 1.00 0.00 C ATOM 1175 O HIS A 84 -4.167 0.471 -12.351 1.00 0.00 O ATOM 1176 CB HIS A 84 -2.126 -0.532 -9.915 1.00 0.00 C ATOM 1177 CG HIS A 84 -1.173 0.627 -9.742 1.00 0.00 C ATOM 1178 ND1 HIS A 84 0.111 0.573 -9.296 1.00 0.00 N flip ATOM 1179 CD2 HIS A 84 -1.459 1.977 -9.891 1.00 0.00 C flip ATOM 1180 CE1 HIS A 84 0.622 1.837 -9.150 1.00 0.00 C flip ATOM 1181 NE2 HIS A 84 -0.338 2.651 -9.522 1.00 0.00 N flip ATOM 0 H HIS A 84 -1.540 0.434 -12.655 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.475 -2.014 -11.473 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.054 -0.291 -9.396 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.699 -1.402 -9.417 1.00 0.00 H new ATOM 0 HD1 HIS A 84 0.622 -0.287 -9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.389 2.407 -10.233 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.608 2.106 -8.802 1.00 0.00 H new ATOM 1189 N ARG A 85 -4.846 -1.430 -11.262 1.00 0.00 N ATOM 1190 CA ARG A 85 -6.250 -1.305 -11.589 1.00 0.00 C ATOM 1191 C ARG A 85 -7.096 -1.683 -10.399 1.00 0.00 C ATOM 1192 O ARG A 85 -6.664 -2.428 -9.510 1.00 0.00 O ATOM 1193 CB ARG A 85 -6.588 -2.303 -12.750 1.00 0.00 C ATOM 1194 CG ARG A 85 -6.756 -3.798 -12.350 1.00 0.00 C ATOM 1195 CD ARG A 85 -8.221 -4.287 -12.377 1.00 0.00 C ATOM 1196 NE ARG A 85 -8.608 -4.585 -13.805 1.00 0.00 N ATOM 1197 CZ ARG A 85 -9.762 -4.167 -14.414 1.00 0.00 C ATOM 1198 NH1 ARG A 85 -10.658 -3.367 -13.769 1.00 0.00 N ATOM 1199 NH2 ARG A 85 -10.015 -4.558 -15.698 1.00 0.00 N ATOM 0 H ARG A 85 -4.630 -2.233 -10.672 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.455 -0.275 -11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.510 -1.972 -13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.799 -2.236 -13.499 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.164 -4.415 -13.026 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.352 -3.945 -11.348 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.332 -5.180 -11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.880 -3.527 -11.958 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.959 -5.142 -14.361 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.476 -3.066 -12.811 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.510 -3.069 -14.244 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.349 -5.153 -16.190 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.870 -4.255 -16.164 1.00 0.00 H new ATOM 1213 N LYS A 86 -8.381 -1.273 -10.401 1.00 0.00 N ATOM 1214 CA LYS A 86 -9.354 -1.896 -9.535 1.00 0.00 C ATOM 1215 C LYS A 86 -10.636 -2.104 -10.308 1.00 0.00 C ATOM 1216 O LYS A 86 -10.978 -1.329 -11.201 1.00 0.00 O ATOM 1217 CB LYS A 86 -9.448 -1.226 -8.162 1.00 0.00 C ATOM 1218 CG LYS A 86 -9.840 0.251 -8.227 1.00 0.00 C ATOM 1219 CD LYS A 86 -10.048 0.894 -6.854 1.00 0.00 C ATOM 1220 CE LYS A 86 -10.581 2.328 -6.977 1.00 0.00 C ATOM 1221 NZ LYS A 86 -9.533 3.250 -7.474 1.00 0.00 N ATOM 0 H LYS A 86 -8.747 -0.524 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.032 -2.895 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.179 -1.761 -7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.487 -1.316 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.065 0.800 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.758 0.349 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.748 0.294 -6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.104 0.901 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.434 2.344 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.939 2.670 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.923 4.212 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.730 3.251 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.210 2.936 -8.411 1.00 0.00 H new ATOM 1235 N GLU A 87 -11.368 -3.186 -9.953 1.00 0.00 N ATOM 1236 CA GLU A 87 -12.642 -3.636 -10.499 1.00 0.00 C ATOM 1237 C GLU A 87 -13.640 -3.585 -9.340 1.00 0.00 C ATOM 1238 O GLU A 87 -13.220 -3.551 -8.185 1.00 0.00 O ATOM 1239 CB GLU A 87 -12.477 -5.070 -11.090 1.00 0.00 C ATOM 1240 CG GLU A 87 -13.382 -5.426 -12.290 1.00 0.00 C ATOM 1241 CD GLU A 87 -14.806 -5.772 -11.858 1.00 0.00 C ATOM 1242 OE1 GLU A 87 -14.965 -6.722 -11.043 1.00 0.00 O ATOM 1243 OE2 GLU A 87 -15.755 -5.097 -12.340 1.00 0.00 O ATOM 0 H GLU A 87 -11.043 -3.810 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.998 -3.009 -11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.438 -5.196 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.665 -5.791 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.409 -4.586 -12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.952 -6.271 -12.829 1.00 0.00 H new ATOM 1250 N SER A 88 -14.983 -3.577 -9.578 1.00 0.00 N ATOM 1251 CA SER A 88 -16.075 -3.544 -8.579 1.00 0.00 C ATOM 1252 C SER A 88 -16.124 -4.707 -7.554 1.00 0.00 C ATOM 1253 O SER A 88 -17.076 -5.484 -7.521 1.00 0.00 O ATOM 1254 CB SER A 88 -17.461 -3.432 -9.308 1.00 0.00 C ATOM 1255 OG SER A 88 -18.575 -3.219 -8.432 1.00 0.00 O ATOM 0 H SER A 88 -15.346 -3.595 -10.531 1.00 0.00 H new ATOM 0 HA SER A 88 -15.853 -2.663 -7.977 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.416 -2.612 -10.024 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.632 -4.345 -9.879 1.00 0.00 H new ATOM 0 HG SER A 88 -18.644 -3.967 -7.803 1.00 0.00 H new ATOM 1261 N GLY A 89 -15.086 -4.801 -6.687 1.00 0.00 N ATOM 1262 CA GLY A 89 -14.890 -5.801 -5.648 1.00 0.00 C ATOM 1263 C GLY A 89 -13.673 -6.656 -5.885 1.00 0.00 C ATOM 1264 O GLY A 89 -13.521 -7.691 -5.250 1.00 0.00 O ATOM 0 H GLY A 89 -14.321 -4.127 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.796 -5.303 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.772 -6.439 -5.593 1.00 0.00 H new ATOM 1268 N GLU A 90 -12.756 -6.259 -6.814 1.00 0.00 N ATOM 1269 CA GLU A 90 -11.536 -6.967 -7.117 1.00 0.00 C ATOM 1270 C GLU A 90 -10.462 -5.906 -7.311 1.00 0.00 C ATOM 1271 O GLU A 90 -10.734 -4.792 -7.752 1.00 0.00 O ATOM 1272 CB GLU A 90 -11.738 -7.913 -8.321 1.00 0.00 C ATOM 1273 CG GLU A 90 -10.500 -8.764 -8.609 1.00 0.00 C ATOM 1274 CD GLU A 90 -10.790 -9.915 -9.570 1.00 0.00 C ATOM 1275 OE1 GLU A 90 -11.923 -9.985 -10.117 1.00 0.00 O ATOM 1276 OE2 GLU A 90 -9.865 -10.748 -9.771 1.00 0.00 O ATOM 0 H GLU A 90 -12.874 -5.413 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.223 -7.632 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.588 -8.567 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.984 -7.324 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.719 -8.131 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.114 -9.166 -7.672 1.00 0.00 H new ATOM 1283 N LEU A 91 -9.195 -6.208 -6.958 1.00 0.00 N ATOM 1284 CA LEU A 91 -8.093 -5.273 -6.958 1.00 0.00 C ATOM 1285 C LEU A 91 -6.941 -5.955 -7.632 1.00 0.00 C ATOM 1286 O LEU A 91 -6.625 -7.066 -7.214 1.00 0.00 O ATOM 1287 CB LEU A 91 -7.689 -5.016 -5.470 1.00 0.00 C ATOM 1288 CG LEU A 91 -7.361 -3.534 -5.181 1.00 0.00 C ATOM 1289 CD1 LEU A 91 -7.546 -3.195 -3.690 1.00 0.00 C ATOM 1290 CD2 LEU A 91 -5.976 -3.127 -5.700 1.00 0.00 C ATOM 0 H LEU A 91 -8.921 -7.144 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.356 -4.341 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.502 -5.336 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.822 -5.629 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.081 -2.936 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.307 -2.145 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.580 -3.382 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.883 -3.818 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.796 -2.077 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.213 -3.739 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.934 -3.276 -6.779 1.00 0.00 H new ATOM 1302 N TYR A 92 -6.222 -5.392 -8.643 1.00 0.00 N ATOM 1303 CA TYR A 92 -4.999 -6.107 -8.997 1.00 0.00 C ATOM 1304 C TYR A 92 -3.902 -5.178 -9.423 1.00 0.00 C ATOM 1305 O TYR A 92 -4.077 -4.213 -10.168 1.00 0.00 O ATOM 1306 CB TYR A 92 -5.124 -7.439 -9.827 1.00 0.00 C ATOM 1307 CG TYR A 92 -6.192 -7.485 -10.894 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -5.935 -7.047 -12.174 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -7.423 -8.073 -10.650 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -6.838 -7.236 -13.201 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -8.369 -8.188 -11.653 1.00 0.00 C ATOM 1312 CZ TYR A 92 -8.068 -7.793 -12.936 1.00 0.00 C ATOM 1313 OH TYR A 92 -9.022 -7.912 -13.966 1.00 0.00 O ATOM 0 H TYR A 92 -6.444 -4.544 -9.165 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.690 -6.546 -8.048 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.162 -7.634 -10.302 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.307 -8.257 -9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.003 -6.542 -12.380 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.647 -8.447 -9.662 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.580 -6.948 -14.209 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.346 -8.589 -11.428 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.836 -8.327 -13.612 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.712 -5.489 -8.897 1.00 0.00 N ATOM 1324 CA TYR A 93 -1.450 -4.850 -9.097 1.00 0.00 C ATOM 1325 C TYR A 93 -0.636 -5.789 -9.949 1.00 0.00 C ATOM 1326 O TYR A 93 -0.503 -6.965 -9.614 1.00 0.00 O ATOM 1327 CB TYR A 93 -0.760 -4.615 -7.725 1.00 0.00 C ATOM 1328 CG TYR A 93 -1.198 -3.284 -7.208 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -2.532 -2.986 -6.973 1.00 0.00 C ATOM 1330 CD2 TYR A 93 -0.262 -2.278 -7.119 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -2.936 -1.687 -6.756 1.00 0.00 C ATOM 1332 CE2 TYR A 93 -0.671 -0.992 -6.886 1.00 0.00 C ATOM 1333 CZ TYR A 93 -1.998 -0.694 -6.723 1.00 0.00 C ATOM 1334 OH TYR A 93 -2.402 0.644 -6.652 1.00 0.00 O ATOM 0 H TYR A 93 -2.624 -6.279 -8.258 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.557 -3.879 -9.580 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.030 -5.404 -7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.324 -4.643 -7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.262 -3.781 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.788 -2.502 -7.232 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.981 -1.456 -6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.063 -0.202 -6.830 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.801 1.136 -6.055 1.00 0.00 H new ATOM 1344 N SER A 94 -0.057 -5.259 -11.067 1.00 0.00 N ATOM 1345 CA SER A 94 0.838 -5.948 -11.984 1.00 0.00 C ATOM 1346 C SER A 94 2.249 -5.720 -11.483 1.00 0.00 C ATOM 1347 O SER A 94 2.866 -4.646 -11.591 1.00 0.00 O ATOM 1348 CB SER A 94 0.705 -5.553 -13.488 1.00 0.00 C ATOM 1349 OG SER A 94 0.972 -4.177 -13.765 1.00 0.00 O ATOM 0 H SER A 94 -0.224 -4.292 -11.346 1.00 0.00 H new ATOM 0 HA SER A 94 0.560 -7.002 -11.981 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.388 -6.168 -14.074 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.304 -5.789 -13.825 1.00 0.00 H new ATOM 0 HG SER A 94 0.354 -3.614 -13.254 1.00 0.00 H new ATOM 1355 N ILE A 95 2.733 -6.790 -10.831 1.00 0.00 N ATOM 1356 CA ILE A 95 4.010 -6.819 -10.169 1.00 0.00 C ATOM 1357 C ILE A 95 4.924 -7.540 -11.109 1.00 0.00 C ATOM 1358 O ILE A 95 4.698 -8.707 -11.427 1.00 0.00 O ATOM 1359 CB ILE A 95 3.849 -7.459 -8.804 1.00 0.00 C ATOM 1360 CG1 ILE A 95 2.746 -6.686 -8.024 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.196 -7.488 -8.045 1.00 0.00 C ATOM 1362 CD1 ILE A 95 2.995 -5.167 -7.907 1.00 0.00 C ATOM 0 H ILE A 95 2.221 -7.669 -10.759 1.00 0.00 H new ATOM 0 HA ILE A 95 4.435 -5.837 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 95 3.539 -8.499 -8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.788 -6.848 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.664 -7.107 -7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.054 -7.952 -7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.924 -8.063 -8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.561 -6.470 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.179 -4.706 -7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.936 -4.992 -7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.046 -4.729 -8.904 1.00 0.00 H new ATOM 1374 N GLU A 96 5.980 -6.851 -11.623 1.00 0.00 N ATOM 1375 CA GLU A 96 6.889 -7.473 -12.597 1.00 0.00 C ATOM 1376 C GLU A 96 8.002 -8.206 -11.894 1.00 0.00 C ATOM 1377 O GLU A 96 8.861 -7.632 -11.232 1.00 0.00 O ATOM 1378 CB GLU A 96 7.326 -6.566 -13.763 1.00 0.00 C ATOM 1379 CG GLU A 96 8.085 -7.319 -14.880 1.00 0.00 C ATOM 1380 CD GLU A 96 9.598 -7.347 -14.646 1.00 0.00 C ATOM 1381 OE1 GLU A 96 10.203 -6.249 -14.528 1.00 0.00 O ATOM 1382 OE2 GLU A 96 10.166 -8.469 -14.582 1.00 0.00 O ATOM 0 H GLU A 96 6.210 -5.888 -11.380 1.00 0.00 H new ATOM 0 HA GLU A 96 6.309 -8.226 -13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.445 -6.089 -14.192 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.962 -5.770 -13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.712 -8.341 -14.943 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.878 -6.844 -15.839 1.00 0.00 H new ATOM 1389 N LYS A 97 7.897 -9.541 -11.953 1.00 0.00 N ATOM 1390 CA LYS A 97 8.642 -10.425 -11.083 1.00 0.00 C ATOM 1391 C LYS A 97 9.069 -11.688 -11.789 1.00 0.00 C ATOM 1392 O LYS A 97 8.283 -12.334 -12.484 1.00 0.00 O ATOM 1393 CB LYS A 97 7.686 -10.836 -9.942 1.00 0.00 C ATOM 1394 CG LYS A 97 8.339 -11.601 -8.786 1.00 0.00 C ATOM 1395 CD LYS A 97 7.464 -11.754 -7.542 1.00 0.00 C ATOM 1396 CE LYS A 97 6.520 -12.958 -7.633 1.00 0.00 C ATOM 1397 NZ LYS A 97 5.841 -13.208 -6.342 1.00 0.00 N ATOM 0 H LYS A 97 7.288 -10.027 -12.611 1.00 0.00 H new ATOM 0 HA LYS A 97 9.536 -9.908 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.216 -9.937 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.890 -11.452 -10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.621 -12.593 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.259 -11.089 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.101 -11.862 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.877 -10.846 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.776 -12.781 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.084 -13.843 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.196 -14.018 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.551 -13.417 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.298 -12.365 -6.066 1.00 0.00 H new ATOM 1411 N GLU A 98 10.365 -12.085 -11.643 1.00 0.00 N ATOM 1412 CA GLU A 98 11.003 -13.289 -12.201 1.00 0.00 C ATOM 1413 C GLU A 98 11.135 -13.263 -13.739 1.00 0.00 C ATOM 1414 O GLU A 98 11.671 -14.156 -14.388 1.00 0.00 O ATOM 1415 CB GLU A 98 10.294 -14.561 -11.625 1.00 0.00 C ATOM 1416 CG GLU A 98 10.899 -15.939 -11.948 1.00 0.00 C ATOM 1417 CD GLU A 98 12.373 -16.007 -11.546 1.00 0.00 C ATOM 1418 OE1 GLU A 98 12.667 -15.824 -10.334 1.00 0.00 O ATOM 1419 OE2 GLU A 98 13.223 -16.248 -12.444 1.00 0.00 O ATOM 0 H GLU A 98 11.024 -11.530 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 98 12.043 -13.318 -11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.257 -14.459 -10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.264 -14.558 -11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.341 -16.715 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.801 -16.140 -13.015 1.00 0.00 H new ATOM 1426 N GLY A 99 10.709 -12.115 -14.317 1.00 0.00 N ATOM 1427 CA GLY A 99 10.807 -11.751 -15.727 1.00 0.00 C ATOM 1428 C GLY A 99 9.456 -11.527 -16.348 1.00 0.00 C ATOM 1429 O GLY A 99 9.358 -11.129 -17.504 1.00 0.00 O ATOM 0 H GLY A 99 10.262 -11.382 -13.767 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.406 -10.846 -15.827 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.329 -12.540 -16.269 1.00 0.00 H new ATOM 1433 N GLN A 100 8.363 -11.789 -15.588 1.00 0.00 N ATOM 1434 CA GLN A 100 6.991 -11.672 -16.059 1.00 0.00 C ATOM 1435 C GLN A 100 6.100 -11.014 -15.036 1.00 0.00 C ATOM 1436 O GLN A 100 6.505 -10.749 -13.911 1.00 0.00 O ATOM 1437 CB GLN A 100 6.457 -13.026 -16.617 1.00 0.00 C ATOM 1438 CG GLN A 100 6.734 -14.304 -15.779 1.00 0.00 C ATOM 1439 CD GLN A 100 5.760 -14.503 -14.618 1.00 0.00 C ATOM 1440 OE1 GLN A 100 6.148 -14.036 -13.403 1.00 0.00 O flip ATOM 1441 NE2 GLN A 100 4.674 -15.073 -14.771 1.00 0.00 N flip ATOM 0 H GLN A 100 8.429 -12.092 -14.616 1.00 0.00 H new ATOM 0 HA GLN A 100 6.979 -10.993 -16.912 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.378 -12.935 -16.746 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.885 -13.174 -17.608 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.687 -15.174 -16.434 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.749 -14.256 -15.385 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.403 -15.416 -15.693 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.049 -15.201 -13.975 1.00 0.00 H new ATOM 1450 N ARG A 101 4.844 -10.658 -15.396 1.00 0.00 N ATOM 1451 CA ARG A 101 3.928 -9.931 -14.526 1.00 0.00 C ATOM 1452 C ARG A 101 3.001 -10.823 -13.739 1.00 0.00 C ATOM 1453 O ARG A 101 2.259 -11.627 -14.295 1.00 0.00 O ATOM 1454 CB ARG A 101 3.185 -8.736 -15.211 1.00 0.00 C ATOM 1455 CG ARG A 101 3.793 -8.223 -16.539 1.00 0.00 C ATOM 1456 CD ARG A 101 3.398 -9.040 -17.786 1.00 0.00 C ATOM 1457 NE ARG A 101 1.905 -8.953 -17.969 1.00 0.00 N ATOM 1458 CZ ARG A 101 1.206 -9.726 -18.857 1.00 0.00 C ATOM 1459 NH1 ARG A 101 1.846 -10.626 -19.658 1.00 0.00 N ATOM 1460 NH2 ARG A 101 -0.151 -9.595 -18.936 1.00 0.00 N ATOM 0 H ARG A 101 4.448 -10.876 -16.310 1.00 0.00 H new ATOM 0 HA ARG A 101 4.587 -9.464 -13.793 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.154 -9.037 -15.400 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.151 -7.905 -14.506 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.486 -7.188 -16.687 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.879 -8.224 -16.450 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.910 -8.654 -18.668 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.704 -10.080 -17.669 1.00 0.00 H new ATOM 0 HE ARG A 101 1.387 -8.282 -17.401 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.859 -10.730 -19.600 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.311 -11.195 -20.315 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.635 -8.926 -18.337 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.681 -10.166 -19.594 1.00 0.00 H new ATOM 1474 N LYS A 102 3.052 -10.670 -12.392 1.00 0.00 N ATOM 1475 CA LYS A 102 2.198 -11.357 -11.428 1.00 0.00 C ATOM 1476 C LYS A 102 1.050 -10.417 -11.158 1.00 0.00 C ATOM 1477 O LYS A 102 1.282 -9.267 -10.802 1.00 0.00 O ATOM 1478 CB LYS A 102 2.936 -11.665 -10.089 1.00 0.00 C ATOM 1479 CG LYS A 102 3.293 -13.149 -9.914 1.00 0.00 C ATOM 1480 CD LYS A 102 4.313 -13.723 -10.897 1.00 0.00 C ATOM 1481 CE LYS A 102 4.647 -15.196 -10.602 1.00 0.00 C ATOM 1482 NZ LYS A 102 3.466 -16.069 -10.799 1.00 0.00 N ATOM 0 H LYS A 102 3.718 -10.039 -11.945 1.00 0.00 H new ATOM 0 HA LYS A 102 1.880 -12.318 -11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.849 -11.072 -10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.308 -11.350 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.675 -13.292 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.376 -13.733 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.924 -13.638 -11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.227 -13.131 -10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.457 -15.524 -11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.005 -15.291 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.758 -17.066 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.761 -15.872 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.049 -15.883 -11.733 1.00 0.00 H new ATOM 1496 N TRP A 103 -0.224 -10.847 -11.309 1.00 0.00 N ATOM 1497 CA TRP A 103 -1.359 -9.978 -11.045 1.00 0.00 C ATOM 1498 C TRP A 103 -1.907 -10.349 -9.661 1.00 0.00 C ATOM 1499 O TRP A 103 -2.489 -11.413 -9.439 1.00 0.00 O ATOM 1500 CB TRP A 103 -2.438 -10.112 -12.156 1.00 0.00 C ATOM 1501 CG TRP A 103 -2.110 -9.461 -13.502 1.00 0.00 C ATOM 1502 CD1 TRP A 103 -1.786 -10.045 -14.696 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -2.308 -8.061 -13.785 1.00 0.00 C ATOM 1504 NE1 TRP A 103 -1.823 -9.104 -15.709 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -2.174 -7.892 -15.162 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.622 -7.008 -12.974 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -2.397 -6.678 -15.747 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.870 -5.782 -13.564 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -2.771 -5.625 -14.934 1.00 0.00 C ATOM 0 H TRP A 103 -0.475 -11.788 -11.611 1.00 0.00 H new ATOM 0 HA TRP A 103 -1.053 -8.932 -11.052 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.625 -11.172 -12.325 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -3.367 -9.680 -11.784 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.538 -11.088 -14.828 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.624 -9.279 -16.694 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.675 -7.129 -11.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.284 -6.545 -16.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.144 -4.938 -12.948 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.989 -4.664 -15.376 1.00 0.00 H new ATOM 1520 N TYR A 104 -1.656 -9.448 -8.692 1.00 0.00 N ATOM 1521 CA TYR A 104 -1.988 -9.633 -7.284 1.00 0.00 C ATOM 1522 C TYR A 104 -2.737 -8.482 -6.709 1.00 0.00 C ATOM 1523 O TYR A 104 -2.277 -7.359 -6.835 1.00 0.00 O ATOM 1524 CB TYR A 104 -0.701 -9.659 -6.408 1.00 0.00 C ATOM 1525 CG TYR A 104 0.235 -10.791 -6.703 1.00 0.00 C ATOM 1526 CD1 TYR A 104 -0.225 -12.078 -6.930 1.00 0.00 C ATOM 1527 CD2 TYR A 104 1.594 -10.575 -6.566 1.00 0.00 C ATOM 1528 CE1 TYR A 104 0.653 -13.139 -6.988 1.00 0.00 C ATOM 1529 CE2 TYR A 104 2.470 -11.637 -6.592 1.00 0.00 C ATOM 1530 CZ TYR A 104 1.993 -12.920 -6.770 1.00 0.00 C ATOM 1531 OH TYR A 104 2.876 -14.015 -6.743 1.00 0.00 O ATOM 0 H TYR A 104 -1.206 -8.553 -8.881 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.565 -10.558 -7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.166 -8.719 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -0.993 -9.711 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -1.283 -12.252 -7.063 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.969 -9.570 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.292 -14.134 -7.203 1.00 0.00 H new ATOM 0 HE2 TYR A 104 3.530 -11.466 -6.473 1.00 0.00 H new ATOM 0 HH TYR A 104 2.536 -14.724 -7.328 1.00 0.00 H new ATOM 1541 N LYS A 105 -3.793 -8.704 -5.856 1.00 0.00 N ATOM 1542 CA LYS A 105 -4.285 -7.730 -4.896 1.00 0.00 C ATOM 1543 C LYS A 105 -3.166 -7.374 -3.895 1.00 0.00 C ATOM 1544 O LYS A 105 -2.329 -8.218 -3.555 1.00 0.00 O ATOM 1545 CB LYS A 105 -5.418 -8.349 -4.007 1.00 0.00 C ATOM 1546 CG LYS A 105 -6.682 -8.810 -4.741 1.00 0.00 C ATOM 1547 CD LYS A 105 -7.679 -9.532 -3.816 1.00 0.00 C ATOM 1548 CE LYS A 105 -9.032 -9.816 -4.487 1.00 0.00 C ATOM 1549 NZ LYS A 105 -8.882 -10.728 -5.644 1.00 0.00 N ATOM 0 H LYS A 105 -4.311 -9.582 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.636 -6.871 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.004 -9.202 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.707 -7.611 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.171 -7.946 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.401 -9.477 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.241 -10.473 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.843 -8.925 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.714 -10.257 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.480 -8.879 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.813 -10.899 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.250 -10.295 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.477 -11.631 -5.324 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.155 -6.107 -3.457 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.163 -5.367 -2.669 1.00 0.00 C ATOM 1565 C ARG A 106 -1.280 -6.087 -1.658 1.00 0.00 C ATOM 1566 O ARG A 106 -0.082 -5.866 -1.581 1.00 0.00 O ATOM 1567 CB ARG A 106 -2.956 -4.377 -1.776 1.00 0.00 C ATOM 1568 CG ARG A 106 -3.926 -3.460 -2.532 1.00 0.00 C ATOM 1569 CD ARG A 106 -3.244 -2.536 -3.561 1.00 0.00 C ATOM 1570 NE ARG A 106 -2.103 -1.731 -2.990 1.00 0.00 N ATOM 1571 CZ ARG A 106 -2.266 -0.734 -2.066 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -3.481 -0.499 -1.501 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -1.206 0.032 -1.688 1.00 0.00 N ATOM 0 H ARG A 106 -3.945 -5.501 -3.677 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.493 -4.993 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.519 -4.948 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.247 -3.758 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.665 -4.075 -3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.467 -2.847 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.872 -3.140 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.988 -1.854 -3.973 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.158 -1.941 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.285 -1.069 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.588 0.247 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.285 -0.136 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.333 0.774 -0.999 1.00 0.00 H new ATOM 1587 N MET A 107 -1.871 -7.031 -0.902 1.00 0.00 N ATOM 1588 CA MET A 107 -1.305 -7.860 0.149 1.00 0.00 C ATOM 1589 C MET A 107 -0.180 -8.811 -0.296 1.00 0.00 C ATOM 1590 O MET A 107 0.662 -9.183 0.521 1.00 0.00 O ATOM 1591 CB MET A 107 -2.457 -8.584 0.903 1.00 0.00 C ATOM 1592 CG MET A 107 -3.254 -9.532 -0.025 1.00 0.00 C ATOM 1593 SD MET A 107 -4.782 -10.169 0.711 1.00 0.00 S ATOM 1594 CE MET A 107 -5.241 -11.134 -0.757 1.00 0.00 C ATOM 0 H MET A 107 -2.859 -7.244 -1.036 1.00 0.00 H new ATOM 0 HA MET A 107 -0.786 -7.192 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.043 -9.155 1.734 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.133 -7.843 1.330 1.00 0.00 H new ATOM 0 HG2 MET A 107 -3.499 -9.002 -0.945 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.618 -10.373 -0.302 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.243 -10.851 -1.080 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.531 -10.935 -1.560 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.225 -12.196 -0.514 1.00 0.00 H new ATOM 1604 N ALA A 108 -0.075 -9.186 -1.619 1.00 0.00 N ATOM 1605 CA ALA A 108 1.047 -10.008 -2.090 1.00 0.00 C ATOM 1606 C ALA A 108 2.298 -9.256 -2.511 1.00 0.00 C ATOM 1607 O ALA A 108 3.293 -9.853 -2.904 1.00 0.00 O ATOM 1608 CB ALA A 108 0.625 -11.001 -3.201 1.00 0.00 C ATOM 0 H ALA A 108 -0.746 -8.929 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 108 1.331 -10.559 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.490 -11.585 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.145 -11.670 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.232 -10.447 -4.054 1.00 0.00 H new ATOM 1614 N VAL A 109 2.229 -7.922 -2.458 1.00 0.00 N ATOM 1615 CA VAL A 109 3.264 -6.918 -2.678 1.00 0.00 C ATOM 1616 C VAL A 109 3.391 -5.946 -1.529 1.00 0.00 C ATOM 1617 O VAL A 109 2.688 -4.938 -1.476 1.00 0.00 O ATOM 1618 CB VAL A 109 3.196 -6.185 -4.009 1.00 0.00 C ATOM 1619 CG1 VAL A 109 4.267 -6.850 -4.885 1.00 0.00 C ATOM 1620 CG2 VAL A 109 1.751 -6.209 -4.556 1.00 0.00 C ATOM 0 H VAL A 109 1.341 -7.473 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 109 4.176 -7.513 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 109 3.417 -5.119 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.281 -6.375 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.244 -6.738 -4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.038 -7.910 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.714 -5.681 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.434 -7.242 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.085 -5.721 -3.845 1.00 0.00 H new ATOM 1630 N ILE A 110 4.314 -6.164 -0.587 1.00 0.00 N ATOM 1631 CA ILE A 110 4.517 -5.252 0.552 1.00 0.00 C ATOM 1632 C ILE A 110 5.721 -4.330 0.370 1.00 0.00 C ATOM 1633 O ILE A 110 6.377 -4.370 -0.664 1.00 0.00 O ATOM 1634 CB ILE A 110 4.517 -5.937 1.913 1.00 0.00 C ATOM 1635 CG1 ILE A 110 5.634 -6.971 2.222 1.00 0.00 C ATOM 1636 CG2 ILE A 110 3.095 -6.483 2.204 1.00 0.00 C ATOM 1637 CD1 ILE A 110 5.659 -8.254 1.388 1.00 0.00 C ATOM 0 H ILE A 110 4.939 -6.970 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 110 3.630 -4.618 0.551 1.00 0.00 H new ATOM 0 HB ILE A 110 4.791 -5.150 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.596 -6.473 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.550 -7.253 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.086 -6.975 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.382 -5.658 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.816 -7.200 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.489 -8.882 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.722 -8.794 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.784 -8.001 0.335 1.00 0.00 H new ATOM 1649 N LEU A 111 6.074 -3.477 1.379 1.00 0.00 N ATOM 1650 CA LEU A 111 7.212 -2.541 1.245 1.00 0.00 C ATOM 1651 C LEU A 111 7.952 -2.271 2.555 1.00 0.00 C ATOM 1652 O LEU A 111 7.412 -2.525 3.628 1.00 0.00 O ATOM 1653 CB LEU A 111 6.766 -1.180 0.625 1.00 0.00 C ATOM 1654 CG LEU A 111 5.314 -0.759 0.926 1.00 0.00 C ATOM 1655 CD1 LEU A 111 4.989 -0.760 2.387 1.00 0.00 C ATOM 1656 CD2 LEU A 111 5.116 0.661 0.437 1.00 0.00 C ATOM 0 H LEU A 111 5.590 -3.425 2.275 1.00 0.00 H new ATOM 0 HA LEU A 111 7.907 -3.047 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.435 -0.399 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.894 -1.234 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 111 4.667 -1.481 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.952 -0.454 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.130 -1.763 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.647 -0.064 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.093 0.977 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.811 1.324 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.302 0.705 -0.636 1.00 0.00 H new ATOM 1668 N SER A 112 9.194 -1.697 2.476 1.00 0.00 N ATOM 1669 CA SER A 112 10.046 -1.292 3.618 1.00 0.00 C ATOM 1670 C SER A 112 10.001 0.232 3.774 1.00 0.00 C ATOM 1671 O SER A 112 9.570 0.920 2.849 1.00 0.00 O ATOM 1672 CB SER A 112 11.520 -1.812 3.486 1.00 0.00 C ATOM 1673 OG SER A 112 12.328 -1.624 4.662 1.00 0.00 O ATOM 0 H SER A 112 9.635 -1.501 1.577 1.00 0.00 H new ATOM 0 HA SER A 112 9.645 -1.758 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.496 -2.874 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.997 -1.304 2.648 1.00 0.00 H new ATOM 0 HG SER A 112 11.748 -1.535 5.447 1.00 0.00 H new ATOM 1679 N LEU A 113 10.459 0.856 4.922 1.00 0.00 N ATOM 1680 CA LEU A 113 10.382 2.333 5.112 1.00 0.00 C ATOM 1681 C LEU A 113 11.050 3.216 4.104 1.00 0.00 C ATOM 1682 O LEU A 113 10.434 4.153 3.655 1.00 0.00 O ATOM 1683 CB LEU A 113 10.731 3.062 6.431 1.00 0.00 C ATOM 1684 CG LEU A 113 10.117 2.508 7.720 1.00 0.00 C ATOM 1685 CD1 LEU A 113 11.146 2.707 8.836 1.00 0.00 C ATOM 1686 CD2 LEU A 113 8.771 3.131 8.129 1.00 0.00 C ATOM 0 H LEU A 113 10.876 0.357 5.708 1.00 0.00 H new ATOM 0 HA LEU A 113 9.300 2.228 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.815 3.056 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.426 4.104 6.332 1.00 0.00 H new ATOM 0 HG LEU A 113 9.885 1.458 7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.744 2.324 9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.061 2.170 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.366 3.769 8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.423 2.670 9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.898 4.203 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.038 2.962 7.341 1.00 0.00 H new ATOM 1698 N GLU A 114 12.313 3.010 3.726 1.00 0.00 N ATOM 1699 CA GLU A 114 13.013 3.885 2.754 1.00 0.00 C ATOM 1700 C GLU A 114 12.546 3.898 1.292 1.00 0.00 C ATOM 1701 O GLU A 114 12.839 4.819 0.538 1.00 0.00 O ATOM 1702 CB GLU A 114 14.511 4.164 3.008 1.00 0.00 C ATOM 1703 CG GLU A 114 14.662 5.627 3.500 1.00 0.00 C ATOM 1704 CD GLU A 114 16.132 5.966 3.714 1.00 0.00 C ATOM 1705 OE1 GLU A 114 16.778 5.300 4.567 1.00 0.00 O ATOM 1706 OE2 GLU A 114 16.633 6.898 3.029 1.00 0.00 O ATOM 0 H GLU A 114 12.885 2.241 4.076 1.00 0.00 H new ATOM 0 HA GLU A 114 12.559 4.826 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.905 3.472 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.085 4.010 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.227 6.310 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.112 5.763 4.431 1.00 0.00 H new ATOM 1713 N GLN A 115 11.653 2.930 0.936 1.00 0.00 N ATOM 1714 CA GLN A 115 10.797 2.962 -0.256 1.00 0.00 C ATOM 1715 C GLN A 115 9.578 3.897 -0.023 1.00 0.00 C ATOM 1716 O GLN A 115 9.049 4.538 -0.924 1.00 0.00 O ATOM 1717 CB GLN A 115 10.219 1.566 -0.608 1.00 0.00 C ATOM 1718 CG GLN A 115 11.281 0.466 -0.767 1.00 0.00 C ATOM 1719 CD GLN A 115 10.598 -0.845 -1.166 1.00 0.00 C ATOM 1720 OE1 GLN A 115 10.201 -1.641 -0.306 1.00 0.00 O ATOM 1721 NE2 GLN A 115 10.446 -1.056 -2.496 1.00 0.00 N ATOM 0 H GLN A 115 11.516 2.088 1.496 1.00 0.00 H new ATOM 0 HA GLN A 115 11.431 3.316 -1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.518 1.268 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.651 1.644 -1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 115 12.009 0.755 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 115 11.828 0.335 0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.792 -0.367 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.986 -1.903 -2.829 1.00 0.00 H new ATOM 1730 N GLY A 116 9.149 3.959 1.260 1.00 0.00 N ATOM 1731 CA GLY A 116 8.066 4.673 1.917 1.00 0.00 C ATOM 1732 C GLY A 116 8.396 6.123 2.117 1.00 0.00 C ATOM 1733 O GLY A 116 7.676 6.983 1.640 1.00 0.00 O ATOM 0 H GLY A 116 9.652 3.411 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.158 4.586 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.859 4.211 2.882 1.00 0.00 H new ATOM 1737 N ASN A 117 9.540 6.443 2.785 1.00 0.00 N ATOM 1738 CA ASN A 117 10.067 7.781 3.083 1.00 0.00 C ATOM 1739 C ASN A 117 10.531 8.575 1.874 1.00 0.00 C ATOM 1740 O ASN A 117 10.466 9.805 1.845 1.00 0.00 O ATOM 1741 CB ASN A 117 11.153 7.833 4.186 1.00 0.00 C ATOM 1742 CG ASN A 117 10.648 7.183 5.472 1.00 0.00 C ATOM 1743 OD1 ASN A 117 11.268 6.224 5.929 1.00 0.00 O ATOM 1744 ND2 ASN A 117 9.546 7.693 6.082 1.00 0.00 N ATOM 0 H ASN A 117 10.152 5.713 3.149 1.00 0.00 H new ATOM 0 HA ASN A 117 9.176 8.269 3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.052 7.321 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.431 8.869 4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.206 7.279 6.950 1.00 0.00 H new ATOM 0 HD22 ASN A 117 9.059 8.490 5.672 1.00 0.00 H new ATOM 1751 N ARG A 118 10.952 7.855 0.796 1.00 0.00 N ATOM 1752 CA ARG A 118 11.364 8.435 -0.476 1.00 0.00 C ATOM 1753 C ARG A 118 10.184 9.072 -1.249 1.00 0.00 C ATOM 1754 O ARG A 118 10.323 10.074 -1.939 1.00 0.00 O ATOM 1755 CB ARG A 118 12.074 7.433 -1.415 1.00 0.00 C ATOM 1756 CG ARG A 118 11.190 6.334 -2.040 1.00 0.00 C ATOM 1757 CD ARG A 118 11.372 6.235 -3.564 1.00 0.00 C ATOM 1758 NE ARG A 118 11.091 4.828 -4.026 1.00 0.00 N ATOM 1759 CZ ARG A 118 12.033 3.830 -3.994 1.00 0.00 C ATOM 1760 NH1 ARG A 118 13.297 4.067 -3.536 1.00 0.00 N ATOM 1761 NH2 ARG A 118 11.703 2.577 -4.417 1.00 0.00 N ATOM 0 H ARG A 118 11.009 6.837 0.807 1.00 0.00 H new ATOM 0 HA ARG A 118 12.078 9.208 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.543 7.995 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.875 6.950 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.432 5.374 -1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.144 6.540 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.700 6.932 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.388 6.520 -3.837 1.00 0.00 H new ATOM 0 HE ARG A 118 10.159 4.608 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.555 4.998 -3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.983 3.313 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 118 10.760 2.385 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.399 1.832 -4.395 1.00 0.00 H new ATOM 1775 N LEU A 119 8.978 8.454 -1.065 1.00 0.00 N ATOM 1776 CA LEU A 119 7.643 8.780 -1.558 1.00 0.00 C ATOM 1777 C LEU A 119 6.949 9.683 -0.594 1.00 0.00 C ATOM 1778 O LEU A 119 6.237 10.575 -1.042 1.00 0.00 O ATOM 1779 CB LEU A 119 6.751 7.514 -1.860 1.00 0.00 C ATOM 1780 CG LEU A 119 5.229 7.738 -2.069 1.00 0.00 C ATOM 1781 CD1 LEU A 119 4.552 6.602 -2.849 1.00 0.00 C ATOM 1782 CD2 LEU A 119 4.414 7.798 -0.788 1.00 0.00 C ATOM 0 H LEU A 119 8.938 7.611 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 119 7.783 9.287 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.145 7.031 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.877 6.811 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 119 5.226 8.691 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.490 6.820 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.010 6.514 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.675 5.665 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.364 7.957 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.522 6.860 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.771 8.620 -0.168 1.00 0.00 H new ATOM 1794 N ARG A 120 7.059 9.441 0.743 1.00 0.00 N ATOM 1795 CA ARG A 120 6.297 10.011 1.849 1.00 0.00 C ATOM 1796 C ARG A 120 5.849 11.483 1.822 1.00 0.00 C ATOM 1797 O ARG A 120 4.732 11.819 2.187 1.00 0.00 O ATOM 1798 CB ARG A 120 6.931 9.654 3.275 1.00 0.00 C ATOM 1799 CG ARG A 120 7.987 10.640 3.858 1.00 0.00 C ATOM 1800 CD ARG A 120 7.456 11.669 4.879 1.00 0.00 C ATOM 1801 NE ARG A 120 6.917 10.931 6.079 1.00 0.00 N ATOM 1802 CZ ARG A 120 6.215 11.540 7.086 1.00 0.00 C ATOM 1803 NH1 ARG A 120 5.994 12.885 7.071 1.00 0.00 N ATOM 1804 NH2 ARG A 120 5.719 10.785 8.109 1.00 0.00 N ATOM 0 H ARG A 120 7.753 8.777 1.086 1.00 0.00 H new ATOM 0 HA ARG A 120 5.353 9.495 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.116 9.570 3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.394 8.670 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.776 10.058 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.446 11.181 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.254 12.347 5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.673 12.278 4.428 1.00 0.00 H new ATOM 0 HE ARG A 120 7.084 9.927 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.353 13.452 6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.470 13.324 7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.872 9.777 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.195 11.229 8.863 1.00 0.00 H new ATOM 1818 N GLU A 121 6.737 12.382 1.337 1.00 0.00 N ATOM 1819 CA GLU A 121 6.546 13.811 1.184 1.00 0.00 C ATOM 1820 C GLU A 121 6.006 14.209 -0.192 1.00 0.00 C ATOM 1821 O GLU A 121 5.491 15.313 -0.354 1.00 0.00 O ATOM 1822 CB GLU A 121 7.902 14.516 1.475 1.00 0.00 C ATOM 1823 CG GLU A 121 9.097 13.974 0.657 1.00 0.00 C ATOM 1824 CD GLU A 121 10.374 14.707 1.069 1.00 0.00 C ATOM 1825 OE1 GLU A 121 10.439 15.947 0.860 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.301 14.033 1.592 1.00 0.00 O ATOM 0 H GLU A 121 7.664 12.090 1.026 1.00 0.00 H new ATOM 0 HA GLU A 121 5.784 14.130 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.793 15.582 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.129 14.415 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.210 12.903 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.914 14.112 -0.409 1.00 0.00 H new ATOM 1833 N GLN A 122 6.118 13.308 -1.207 1.00 0.00 N ATOM 1834 CA GLN A 122 5.699 13.497 -2.585 1.00 0.00 C ATOM 1835 C GLN A 122 4.394 12.789 -2.929 1.00 0.00 C ATOM 1836 O GLN A 122 3.562 13.411 -3.588 1.00 0.00 O ATOM 1837 CB GLN A 122 6.830 13.194 -3.635 1.00 0.00 C ATOM 1838 CG GLN A 122 7.565 11.829 -3.547 1.00 0.00 C ATOM 1839 CD GLN A 122 8.640 11.693 -4.648 1.00 0.00 C ATOM 1840 OE1 GLN A 122 8.505 12.196 -5.769 1.00 0.00 O ATOM 1841 NE2 GLN A 122 9.759 10.988 -4.353 1.00 0.00 N ATOM 0 H GLN A 122 6.528 12.387 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 122 5.494 14.565 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.391 13.272 -4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.579 13.982 -3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.032 11.728 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.842 11.019 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.871 10.573 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 122 10.489 10.873 -5.056 1.00 0.00 H new ATOM 1850 N TYR A 123 4.152 11.485 -2.555 1.00 0.00 N ATOM 1851 CA TYR A 123 2.890 10.851 -3.020 1.00 0.00 C ATOM 1852 C TYR A 123 2.024 10.119 -2.007 1.00 0.00 C ATOM 1853 O TYR A 123 1.136 9.392 -2.451 1.00 0.00 O ATOM 1854 CB TYR A 123 3.004 9.872 -4.255 1.00 0.00 C ATOM 1855 CG TYR A 123 4.151 10.130 -5.181 1.00 0.00 C ATOM 1856 CD1 TYR A 123 4.266 11.243 -5.992 1.00 0.00 C ATOM 1857 CD2 TYR A 123 5.138 9.179 -5.239 1.00 0.00 C ATOM 1858 CE1 TYR A 123 5.368 11.378 -6.821 1.00 0.00 C ATOM 1859 CE2 TYR A 123 6.254 9.323 -6.005 1.00 0.00 C ATOM 1860 CZ TYR A 123 6.358 10.411 -6.833 1.00 0.00 C ATOM 1861 OH TYR A 123 7.542 10.611 -7.562 1.00 0.00 O ATOM 0 H TYR A 123 4.764 10.904 -1.982 1.00 0.00 H new ATOM 0 HA TYR A 123 2.403 11.787 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 123 3.085 8.852 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 123 2.078 9.929 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 123 3.500 12.004 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 123 5.025 8.279 -4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 123 5.455 12.243 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 123 7.046 8.591 -5.961 1.00 0.00 H new ATOM 0 HH TYR A 123 7.995 11.416 -7.235 1.00 0.00 H new ATOM 1871 N GLY A 124 2.191 10.170 -0.654 1.00 0.00 N ATOM 1872 CA GLY A 124 1.323 9.285 0.084 1.00 0.00 C ATOM 1873 C GLY A 124 1.765 9.280 1.478 1.00 0.00 C ATOM 1874 O GLY A 124 1.101 9.927 2.270 1.00 0.00 O ATOM 0 H GLY A 124 2.844 10.749 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.288 9.619 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.362 8.278 -0.332 1.00 0.00 H new ATOM 1878 N LEU A 125 2.885 8.565 1.825 1.00 0.00 N ATOM 1879 CA LEU A 125 3.410 8.187 3.163 1.00 0.00 C ATOM 1880 C LEU A 125 3.562 9.227 4.306 1.00 0.00 C ATOM 1881 O LEU A 125 4.153 8.934 5.345 1.00 0.00 O ATOM 1882 CB LEU A 125 4.550 7.088 3.147 1.00 0.00 C ATOM 1883 CG LEU A 125 4.102 5.609 3.203 1.00 0.00 C ATOM 1884 CD1 LEU A 125 3.076 5.254 4.298 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.718 5.118 1.800 1.00 0.00 C ATOM 0 H LEU A 125 3.498 8.207 1.092 1.00 0.00 H new ATOM 0 HA LEU A 125 2.484 7.728 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.143 7.228 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.211 7.274 3.993 1.00 0.00 H new ATOM 0 HG LEU A 125 4.972 5.044 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.836 4.192 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.497 5.479 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.168 5.839 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.404 4.075 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.899 5.724 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.578 5.205 1.136 1.00 0.00 H new ATOM 1897 N GLY A 126 2.938 10.421 4.149 1.00 0.00 N ATOM 1898 CA GLY A 126 2.749 11.436 5.189 1.00 0.00 C ATOM 1899 C GLY A 126 1.952 12.660 4.761 1.00 0.00 C ATOM 1900 O GLY A 126 2.567 13.554 4.185 1.00 0.00 O ATOM 0 H GLY A 126 2.540 10.704 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.247 10.974 6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.729 11.763 5.537 1.00 0.00 H new ATOM 1904 N PRO A 127 0.619 12.845 4.967 1.00 0.00 N ATOM 1905 CA PRO A 127 -0.069 14.105 4.634 1.00 0.00 C ATOM 1906 C PRO A 127 0.043 15.147 5.778 1.00 0.00 C ATOM 1907 O PRO A 127 0.028 16.352 5.539 1.00 0.00 O ATOM 1908 CB PRO A 127 -1.527 13.620 4.466 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.693 12.527 5.535 1.00 0.00 C ATOM 1910 CD PRO A 127 -0.306 11.846 5.536 1.00 0.00 C ATOM 0 HA PRO A 127 0.343 14.612 3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.236 14.434 4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.702 13.226 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.939 12.947 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.488 11.827 5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -0.007 11.564 6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.315 10.934 4.939 1.00 0.00 H new ATOM 1918 N TYR A 128 0.092 14.655 7.035 1.00 0.00 N ATOM 1919 CA TYR A 128 0.137 15.346 8.297 1.00 0.00 C ATOM 1920 C TYR A 128 1.436 14.967 8.981 1.00 0.00 C ATOM 1921 O TYR A 128 1.926 13.845 8.826 1.00 0.00 O ATOM 1922 CB TYR A 128 -1.129 14.946 9.107 1.00 0.00 C ATOM 1923 CG TYR A 128 -1.469 15.896 10.225 1.00 0.00 C ATOM 1924 CD1 TYR A 128 -2.190 17.049 9.966 1.00 0.00 C ATOM 1925 CD2 TYR A 128 -1.105 15.617 11.529 1.00 0.00 C ATOM 1926 CE1 TYR A 128 -2.555 17.896 10.993 1.00 0.00 C ATOM 1927 CE2 TYR A 128 -1.459 16.466 12.559 1.00 0.00 C ATOM 1928 CZ TYR A 128 -2.191 17.604 12.290 1.00 0.00 C ATOM 1929 OH TYR A 128 -2.574 18.477 13.326 1.00 0.00 O ATOM 0 H TYR A 128 0.101 13.646 7.181 1.00 0.00 H new ATOM 0 HA TYR A 128 0.124 16.431 8.192 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.978 14.884 8.426 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -0.981 13.950 9.524 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -2.470 17.288 8.951 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.537 14.724 11.745 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.126 18.788 10.780 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -1.163 16.240 13.573 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.243 18.134 14.182 1.00 0.00 H new ATOM 1939 N GLU A 129 2.012 15.906 9.771 1.00 0.00 N ATOM 1940 CA GLU A 129 3.259 15.749 10.509 1.00 0.00 C ATOM 1941 C GLU A 129 2.982 15.473 11.982 1.00 0.00 C ATOM 1942 O GLU A 129 2.158 16.147 12.603 1.00 0.00 O ATOM 1943 CB GLU A 129 4.151 17.016 10.363 1.00 0.00 C ATOM 1944 CG GLU A 129 4.435 17.427 8.902 1.00 0.00 C ATOM 1945 CD GLU A 129 5.130 16.297 8.141 1.00 0.00 C ATOM 1946 OE1 GLU A 129 6.256 15.909 8.552 1.00 0.00 O ATOM 1947 OE2 GLU A 129 4.545 15.811 7.136 1.00 0.00 O ATOM 0 H GLU A 129 1.592 16.825 9.907 1.00 0.00 H new ATOM 0 HA GLU A 129 3.793 14.897 10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 129 3.667 17.848 10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.100 16.839 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.500 17.684 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 129 5.061 18.320 8.886 1.00 0.00 H new TER 1954 GLU A 129