USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 828 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 34 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.207) USER MOD Set 1.2: A 104 SER OG : rot 26:sc= 0.181 USER MOD Set 2.1: A 13 TYR OH : rot 8:sc= 0.303 USER MOD Set 2.2: A 26 HIS : no HD1:sc= 0.455 K(o=0.76,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -150:sc= 0.00663 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0486 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -1.06 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= -0.123 (180deg=-0.607) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -59:sc= 0.0727 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.2) USER MOD Single : A 57 THR OG1 : rot -52:sc= -0.415! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 130:sc= -0.679 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0.262 (180deg=0.261) USER MOD Single : A 72 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.53) USER MOD Single : A 75 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-2.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 96:sc= -3.86 USER MOD Single : A 92 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.008) USER MOD Single : A 99 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1) USER MOD Single : A 102 THR OG1 : rot 16:sc= 0.649 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.384 -11.880 10.850 1.00 0.00 N ATOM 2 CA GLY A 1 -0.786 -12.671 11.192 1.00 0.00 C ATOM 3 C GLY A 1 -1.648 -11.952 12.232 1.00 0.00 C ATOM 4 O GLY A 1 -1.853 -10.743 12.145 1.00 0.00 O ATOM 0 H1 GLY A 1 0.661 -12.078 9.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.161 -10.869 10.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.168 -12.126 11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.375 -12.862 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.473 -13.640 11.581 1.00 0.00 H new ATOM 8 N SER A 2 -2.130 -12.728 13.191 1.00 0.00 N ATOM 9 CA SER A 2 -2.966 -12.181 14.247 1.00 0.00 C ATOM 10 C SER A 2 -4.282 -11.668 13.659 1.00 0.00 C ATOM 11 O SER A 2 -4.331 -11.260 12.500 1.00 0.00 O ATOM 12 CB SER A 2 -2.244 -11.058 14.994 1.00 0.00 C ATOM 13 OG SER A 2 -1.739 -11.494 16.254 1.00 0.00 O ATOM 0 H SER A 2 -1.958 -13.731 13.259 1.00 0.00 H new ATOM 0 HA SER A 2 -3.180 -12.976 14.961 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.422 -10.686 14.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.930 -10.225 15.147 1.00 0.00 H new ATOM 0 HG SER A 2 -1.284 -10.749 16.699 1.00 0.00 H new ATOM 19 N SER A 3 -5.316 -11.704 14.486 1.00 0.00 N ATOM 20 CA SER A 3 -6.629 -11.247 14.063 1.00 0.00 C ATOM 21 C SER A 3 -7.001 -9.963 14.806 1.00 0.00 C ATOM 22 O SER A 3 -6.359 -9.604 15.793 1.00 0.00 O ATOM 23 CB SER A 3 -7.690 -12.324 14.302 1.00 0.00 C ATOM 24 OG SER A 3 -8.941 -11.981 13.712 1.00 0.00 O ATOM 0 H SER A 3 -5.271 -12.043 15.447 1.00 0.00 H new ATOM 0 HA SER A 3 -6.591 -11.042 12.993 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.343 -13.272 13.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.823 -12.471 15.374 1.00 0.00 H new ATOM 0 HG SER A 3 -9.591 -12.694 13.885 1.00 0.00 H new ATOM 30 N GLY A 4 -8.035 -9.305 14.304 1.00 0.00 N ATOM 31 CA GLY A 4 -8.500 -8.067 14.908 1.00 0.00 C ATOM 32 C GLY A 4 -8.997 -7.090 13.841 1.00 0.00 C ATOM 33 O GLY A 4 -8.206 -6.563 13.060 1.00 0.00 O ATOM 0 H GLY A 4 -8.565 -9.605 13.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.304 -8.281 15.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.691 -7.609 15.477 1.00 0.00 H new ATOM 37 N SER A 5 -10.305 -6.876 13.844 1.00 0.00 N ATOM 38 CA SER A 5 -10.917 -5.971 12.886 1.00 0.00 C ATOM 39 C SER A 5 -11.798 -4.955 13.615 1.00 0.00 C ATOM 40 O SER A 5 -12.460 -5.293 14.595 1.00 0.00 O ATOM 41 CB SER A 5 -11.739 -6.739 11.849 1.00 0.00 C ATOM 42 OG SER A 5 -12.079 -5.927 10.729 1.00 0.00 O ATOM 0 H SER A 5 -10.957 -7.314 14.494 1.00 0.00 H new ATOM 0 HA SER A 5 -10.122 -5.442 12.360 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.174 -7.607 11.509 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.650 -7.114 12.315 1.00 0.00 H new ATOM 0 HG SER A 5 -12.602 -6.454 10.089 1.00 0.00 H new ATOM 48 N SER A 6 -11.777 -3.730 13.109 1.00 0.00 N ATOM 49 CA SER A 6 -12.566 -2.663 13.701 1.00 0.00 C ATOM 50 C SER A 6 -13.578 -2.134 12.682 1.00 0.00 C ATOM 51 O SER A 6 -14.781 -2.138 12.937 1.00 0.00 O ATOM 52 CB SER A 6 -11.670 -1.526 14.198 1.00 0.00 C ATOM 53 OG SER A 6 -11.415 -1.621 15.597 1.00 0.00 O ATOM 0 H SER A 6 -11.226 -3.453 12.296 1.00 0.00 H new ATOM 0 HA SER A 6 -13.102 -3.069 14.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.725 -1.545 13.655 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.144 -0.569 13.980 1.00 0.00 H new ATOM 0 HG SER A 6 -10.839 -0.879 15.876 1.00 0.00 H new ATOM 59 N GLY A 7 -13.052 -1.691 11.549 1.00 0.00 N ATOM 60 CA GLY A 7 -13.895 -1.160 10.491 1.00 0.00 C ATOM 61 C GLY A 7 -13.119 -1.049 9.177 1.00 0.00 C ATOM 62 O GLY A 7 -12.994 -2.026 8.441 1.00 0.00 O ATOM 0 H GLY A 7 -12.053 -1.689 11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.762 -1.806 10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.272 -0.179 10.779 1.00 0.00 H new ATOM 66 N SER A 8 -12.619 0.152 8.922 1.00 0.00 N ATOM 67 CA SER A 8 -11.860 0.404 7.709 1.00 0.00 C ATOM 68 C SER A 8 -10.786 -0.671 7.531 1.00 0.00 C ATOM 69 O SER A 8 -10.301 -1.237 8.510 1.00 0.00 O ATOM 70 CB SER A 8 -11.220 1.793 7.739 1.00 0.00 C ATOM 71 OG SER A 8 -12.149 2.800 8.129 1.00 0.00 O ATOM 0 H SER A 8 -12.725 0.961 9.535 1.00 0.00 H new ATOM 0 HA SER A 8 -12.546 0.367 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.378 1.789 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.821 2.030 6.753 1.00 0.00 H new ATOM 0 HG SER A 8 -11.702 3.672 8.138 1.00 0.00 H new ATOM 77 N THR A 9 -10.445 -0.921 6.276 1.00 0.00 N ATOM 78 CA THR A 9 -9.438 -1.918 5.957 1.00 0.00 C ATOM 79 C THR A 9 -8.070 -1.483 6.488 1.00 0.00 C ATOM 80 O THR A 9 -7.490 -2.152 7.341 1.00 0.00 O ATOM 81 CB THR A 9 -9.458 -2.145 4.444 1.00 0.00 C ATOM 82 OG1 THR A 9 -10.674 -2.852 4.215 1.00 0.00 O ATOM 83 CG2 THR A 9 -8.370 -3.116 3.983 1.00 0.00 C ATOM 0 H THR A 9 -10.849 -0.450 5.467 1.00 0.00 H new ATOM 0 HA THR A 9 -9.655 -2.868 6.445 1.00 0.00 H new ATOM 0 HB THR A 9 -9.333 -1.191 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.768 -3.039 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.429 -3.242 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.391 -2.718 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.514 -4.081 4.469 1.00 0.00 H new ATOM 91 N MET A 10 -7.595 -0.364 5.961 1.00 0.00 N ATOM 92 CA MET A 10 -6.307 0.169 6.371 1.00 0.00 C ATOM 93 C MET A 10 -6.312 1.698 6.343 1.00 0.00 C ATOM 94 O MET A 10 -6.847 2.304 5.416 1.00 0.00 O ATOM 95 CB MET A 10 -5.216 -0.355 5.434 1.00 0.00 C ATOM 96 CG MET A 10 -3.826 -0.132 6.033 1.00 0.00 C ATOM 97 SD MET A 10 -3.353 -1.542 7.020 1.00 0.00 S ATOM 98 CE MET A 10 -2.291 -0.744 8.212 1.00 0.00 C ATOM 0 H MET A 10 -8.079 0.188 5.253 1.00 0.00 H new ATOM 0 HA MET A 10 -6.109 -0.156 7.392 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.370 -1.418 5.249 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.286 0.150 4.470 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.099 0.025 5.236 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.826 0.769 6.647 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.920 -1.484 8.921 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.449 -0.281 7.697 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.854 0.021 8.747 1.00 0.00 H new ATOM 108 N SER A 11 -5.711 2.279 7.371 1.00 0.00 N ATOM 109 CA SER A 11 -5.639 3.726 7.476 1.00 0.00 C ATOM 110 C SER A 11 -4.519 4.126 8.438 1.00 0.00 C ATOM 111 O SER A 11 -3.957 3.278 9.129 1.00 0.00 O ATOM 112 CB SER A 11 -6.974 4.311 7.944 1.00 0.00 C ATOM 113 OG SER A 11 -7.233 4.021 9.315 1.00 0.00 O ATOM 0 H SER A 11 -5.269 1.773 8.139 1.00 0.00 H new ATOM 0 HA SER A 11 -5.422 4.130 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.968 5.391 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.781 3.910 7.330 1.00 0.00 H new ATOM 0 HG SER A 11 -8.093 4.413 9.575 1.00 0.00 H new ATOM 119 N GLY A 12 -4.227 5.419 8.452 1.00 0.00 N ATOM 120 CA GLY A 12 -3.184 5.941 9.318 1.00 0.00 C ATOM 121 C GLY A 12 -2.333 6.980 8.585 1.00 0.00 C ATOM 122 O GLY A 12 -2.537 7.230 7.398 1.00 0.00 O ATOM 0 H GLY A 12 -4.695 6.120 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.633 6.392 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.550 5.124 9.663 1.00 0.00 H new ATOM 126 N TYR A 13 -1.397 7.559 9.324 1.00 0.00 N ATOM 127 CA TYR A 13 -0.514 8.565 8.759 1.00 0.00 C ATOM 128 C TYR A 13 0.755 7.926 8.192 1.00 0.00 C ATOM 129 O TYR A 13 1.305 6.999 8.784 1.00 0.00 O ATOM 130 CB TYR A 13 -0.132 9.489 9.917 1.00 0.00 C ATOM 131 CG TYR A 13 -0.828 10.851 9.884 1.00 0.00 C ATOM 132 CD1 TYR A 13 -0.841 11.590 8.719 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.444 11.339 11.018 1.00 0.00 C ATOM 134 CE1 TYR A 13 -1.496 12.872 8.687 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.099 12.621 10.987 1.00 0.00 C ATOM 136 CZ TYR A 13 -2.093 13.324 9.823 1.00 0.00 C ATOM 137 OH TYR A 13 -2.712 14.535 9.793 1.00 0.00 O ATOM 0 H TYR A 13 -1.231 7.350 10.309 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.009 9.096 7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.371 8.993 10.858 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.947 9.644 9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.360 11.207 7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.435 10.759 11.929 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.513 13.461 7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.584 13.015 11.868 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.739 14.866 8.871 1.00 0.00 H new ATOM 147 N LEU A 14 1.182 8.446 7.051 1.00 0.00 N ATOM 148 CA LEU A 14 2.376 7.937 6.397 1.00 0.00 C ATOM 149 C LEU A 14 3.173 9.108 5.818 1.00 0.00 C ATOM 150 O LEU A 14 2.680 10.233 5.765 1.00 0.00 O ATOM 151 CB LEU A 14 2.008 6.872 5.362 1.00 0.00 C ATOM 152 CG LEU A 14 1.059 5.771 5.841 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.333 5.121 4.662 1.00 0.00 C ATOM 154 CD2 LEU A 14 1.801 4.742 6.696 1.00 0.00 C ATOM 0 H LEU A 14 0.723 9.215 6.562 1.00 0.00 H new ATOM 0 HA LEU A 14 3.022 7.437 7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.553 7.369 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.927 6.404 5.009 1.00 0.00 H new ATOM 0 HG LEU A 14 0.298 6.227 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.335 4.342 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.248 5.876 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.063 4.681 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.104 3.971 7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.597 4.286 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.232 5.236 7.567 1.00 0.00 H new ATOM 166 N TYR A 15 4.392 8.802 5.398 1.00 0.00 N ATOM 167 CA TYR A 15 5.262 9.815 4.825 1.00 0.00 C ATOM 168 C TYR A 15 5.621 9.474 3.377 1.00 0.00 C ATOM 169 O TYR A 15 6.151 8.398 3.102 1.00 0.00 O ATOM 170 CB TYR A 15 6.537 9.803 5.670 1.00 0.00 C ATOM 171 CG TYR A 15 6.361 10.393 7.070 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.697 11.592 7.235 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.867 9.728 8.168 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.531 12.148 8.553 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.702 10.284 9.486 1.00 0.00 C ATOM 176 CZ TYR A 15 6.042 11.466 9.614 1.00 0.00 C ATOM 177 OH TYR A 15 5.886 11.992 10.858 1.00 0.00 O ATOM 0 H TYR A 15 4.798 7.867 5.443 1.00 0.00 H new ATOM 0 HA TYR A 15 4.770 10.788 4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.890 8.776 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.313 10.362 5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.302 12.113 6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.387 8.790 8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.013 13.085 8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.094 9.774 10.353 1.00 0.00 H new ATOM 0 HH TYR A 15 6.299 11.398 11.519 1.00 0.00 H new ATOM 187 N ARG A 16 5.317 10.409 2.490 1.00 0.00 N ATOM 188 CA ARG A 16 5.601 10.221 1.077 1.00 0.00 C ATOM 189 C ARG A 16 6.867 10.985 0.684 1.00 0.00 C ATOM 190 O ARG A 16 7.142 12.057 1.220 1.00 0.00 O ATOM 191 CB ARG A 16 4.434 10.703 0.212 1.00 0.00 C ATOM 192 CG ARG A 16 4.554 10.169 -1.217 1.00 0.00 C ATOM 193 CD ARG A 16 3.178 9.831 -1.793 1.00 0.00 C ATOM 194 NE ARG A 16 2.537 11.054 -2.325 1.00 0.00 N ATOM 195 CZ ARG A 16 1.548 11.052 -3.229 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.079 9.891 -3.707 1.00 0.00 N ATOM 197 NH2 ARG A 16 1.026 12.211 -3.655 1.00 0.00 N ATOM 0 H ARG A 16 4.877 11.299 2.722 1.00 0.00 H new ATOM 0 HA ARG A 16 5.748 9.154 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.492 10.373 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.414 11.793 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.043 10.912 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.184 9.280 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.279 9.089 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.550 9.388 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 16 2.869 11.955 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.475 9.009 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.326 9.890 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.382 13.095 -3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.273 12.209 -4.343 1.00 0.00 H new ATOM 211 N SER A 17 7.605 10.402 -0.250 1.00 0.00 N ATOM 212 CA SER A 17 8.835 11.014 -0.722 1.00 0.00 C ATOM 213 C SER A 17 9.147 10.537 -2.141 1.00 0.00 C ATOM 214 O SER A 17 8.549 9.575 -2.622 1.00 0.00 O ATOM 215 CB SER A 17 10.003 10.694 0.214 1.00 0.00 C ATOM 216 OG SER A 17 10.441 11.843 0.934 1.00 0.00 O ATOM 0 H SER A 17 7.374 9.512 -0.692 1.00 0.00 H new ATOM 0 HA SER A 17 8.697 12.095 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.701 9.918 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.833 10.292 -0.367 1.00 0.00 H new ATOM 0 HG SER A 17 11.186 11.597 1.521 1.00 0.00 H new ATOM 222 N LYS A 18 10.081 11.231 -2.773 1.00 0.00 N ATOM 223 CA LYS A 18 10.479 10.891 -4.129 1.00 0.00 C ATOM 224 C LYS A 18 11.700 9.970 -4.081 1.00 0.00 C ATOM 225 O LYS A 18 11.875 9.119 -4.952 1.00 0.00 O ATOM 226 CB LYS A 18 10.696 12.158 -4.958 1.00 0.00 C ATOM 227 CG LYS A 18 9.410 12.570 -5.677 1.00 0.00 C ATOM 228 CD LYS A 18 9.488 12.244 -7.170 1.00 0.00 C ATOM 229 CE LYS A 18 10.059 13.424 -7.960 1.00 0.00 C ATOM 230 NZ LYS A 18 8.975 14.160 -8.648 1.00 0.00 N ATOM 0 H LYS A 18 10.575 12.028 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 18 9.684 10.341 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.030 12.968 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.487 11.988 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.559 12.054 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.240 13.638 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.113 11.364 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.494 11.998 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.593 14.096 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.783 13.064 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.380 14.957 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.483 13.520 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.299 14.520 -7.944 1.00 0.00 H new ATOM 244 N GLY A 19 12.513 10.171 -3.054 1.00 0.00 N ATOM 245 CA GLY A 19 13.712 9.369 -2.882 1.00 0.00 C ATOM 246 C GLY A 19 14.532 9.860 -1.687 1.00 0.00 C ATOM 247 O GLY A 19 14.347 10.983 -1.221 1.00 0.00 O ATOM 0 H GLY A 19 12.365 10.877 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.437 8.324 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.318 9.415 -3.787 1.00 0.00 H new ATOM 251 N SER A 20 15.422 8.993 -1.224 1.00 0.00 N ATOM 252 CA SER A 20 16.271 9.324 -0.093 1.00 0.00 C ATOM 253 C SER A 20 16.894 10.707 -0.293 1.00 0.00 C ATOM 254 O SER A 20 16.892 11.238 -1.402 1.00 0.00 O ATOM 255 CB SER A 20 17.364 8.272 0.102 1.00 0.00 C ATOM 256 OG SER A 20 16.886 7.127 0.803 1.00 0.00 O ATOM 0 H SER A 20 15.573 8.062 -1.612 1.00 0.00 H new ATOM 0 HA SER A 20 15.654 9.338 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.750 7.966 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.196 8.712 0.652 1.00 0.00 H new ATOM 0 HG SER A 20 17.614 6.479 0.905 1.00 0.00 H new ATOM 262 N LYS A 21 17.414 11.250 0.799 1.00 0.00 N ATOM 263 CA LYS A 21 18.039 12.561 0.757 1.00 0.00 C ATOM 264 C LYS A 21 16.956 13.640 0.797 1.00 0.00 C ATOM 265 O LYS A 21 17.080 14.623 1.526 1.00 0.00 O ATOM 266 CB LYS A 21 18.972 12.671 -0.451 1.00 0.00 C ATOM 267 CG LYS A 21 19.868 11.436 -0.566 1.00 0.00 C ATOM 268 CD LYS A 21 21.325 11.784 -0.255 1.00 0.00 C ATOM 269 CE LYS A 21 22.200 10.529 -0.252 1.00 0.00 C ATOM 270 NZ LYS A 21 23.608 10.880 0.043 1.00 0.00 N ATOM 0 H LYS A 21 17.415 10.806 1.717 1.00 0.00 H new ATOM 0 HA LYS A 21 18.670 12.710 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.383 12.783 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.589 13.565 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.520 10.665 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.796 11.023 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.700 12.491 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.386 12.276 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 21 21.831 9.823 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.138 10.033 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.189 10.017 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.961 11.536 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.664 11.333 0.977 1.00 0.00 H new ATOM 284 N LYS A 22 15.917 13.420 0.004 1.00 0.00 N ATOM 285 CA LYS A 22 14.812 14.362 -0.061 1.00 0.00 C ATOM 286 C LYS A 22 14.033 14.318 1.255 1.00 0.00 C ATOM 287 O LYS A 22 14.075 13.320 1.973 1.00 0.00 O ATOM 288 CB LYS A 22 13.950 14.092 -1.295 1.00 0.00 C ATOM 289 CG LYS A 22 14.750 14.309 -2.581 1.00 0.00 C ATOM 290 CD LYS A 22 13.974 15.182 -3.569 1.00 0.00 C ATOM 291 CE LYS A 22 14.330 14.825 -5.014 1.00 0.00 C ATOM 292 NZ LYS A 22 13.142 14.306 -5.727 1.00 0.00 N ATOM 0 H LYS A 22 15.817 12.603 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 22 15.185 15.380 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.575 13.069 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.081 14.750 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.704 14.781 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.975 13.346 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.903 15.052 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.198 16.233 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.714 15.706 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.124 14.078 -5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.146 14.654 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.165 13.266 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.279 14.633 -5.247 1.00 0.00 H new ATOM 306 N PRO A 23 13.322 15.442 1.540 1.00 0.00 N ATOM 307 CA PRO A 23 12.535 15.541 2.757 1.00 0.00 C ATOM 308 C PRO A 23 11.252 14.715 2.649 1.00 0.00 C ATOM 309 O PRO A 23 10.594 14.717 1.610 1.00 0.00 O ATOM 310 CB PRO A 23 12.271 17.028 2.935 1.00 0.00 C ATOM 311 CG PRO A 23 12.519 17.661 1.575 1.00 0.00 C ATOM 312 CD PRO A 23 13.249 16.644 0.714 1.00 0.00 C ATOM 0 HA PRO A 23 13.052 15.135 3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.249 17.206 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.931 17.454 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.576 17.948 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.113 18.569 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.712 16.454 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.243 16.998 0.441 1.00 0.00 H new ATOM 320 N TRP A 24 10.934 14.029 3.737 1.00 0.00 N ATOM 321 CA TRP A 24 9.742 13.200 3.777 1.00 0.00 C ATOM 322 C TRP A 24 8.524 14.125 3.817 1.00 0.00 C ATOM 323 O TRP A 24 8.527 15.130 4.526 1.00 0.00 O ATOM 324 CB TRP A 24 9.791 12.225 4.955 1.00 0.00 C ATOM 325 CG TRP A 24 10.917 11.194 4.863 1.00 0.00 C ATOM 326 CD1 TRP A 24 12.166 11.291 5.339 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.845 9.897 4.234 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.901 10.156 5.064 1.00 0.00 N ATOM 329 CE2 TRP A 24 12.073 9.281 4.371 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.778 9.264 3.572 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.350 8.003 3.871 1.00 0.00 C ATOM 332 CZ3 TRP A 24 10.071 7.987 3.078 1.00 0.00 C ATOM 333 CH2 TRP A 24 11.302 7.354 3.207 1.00 0.00 C ATOM 0 H TRP A 24 11.482 14.031 4.598 1.00 0.00 H new ATOM 0 HA TRP A 24 9.676 12.576 2.886 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.906 12.792 5.878 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.837 11.701 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.549 12.149 5.871 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.874 9.990 5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.809 9.726 3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.320 7.543 3.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.285 7.457 2.560 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.449 6.366 2.797 1.00 0.00 H new ATOM 344 N LYS A 25 7.512 13.753 3.047 1.00 0.00 N ATOM 345 CA LYS A 25 6.290 14.537 2.986 1.00 0.00 C ATOM 346 C LYS A 25 5.288 13.992 4.005 1.00 0.00 C ATOM 347 O LYS A 25 5.261 12.792 4.274 1.00 0.00 O ATOM 348 CB LYS A 25 5.752 14.579 1.554 1.00 0.00 C ATOM 349 CG LYS A 25 5.208 15.968 1.213 1.00 0.00 C ATOM 350 CD LYS A 25 4.130 15.884 0.131 1.00 0.00 C ATOM 351 CE LYS A 25 4.270 17.032 -0.872 1.00 0.00 C ATOM 352 NZ LYS A 25 3.024 17.830 -0.922 1.00 0.00 N ATOM 0 H LYS A 25 7.513 12.919 2.460 1.00 0.00 H new ATOM 0 HA LYS A 25 6.488 15.574 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.546 14.314 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.963 13.836 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.794 16.430 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.022 16.608 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.206 14.930 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.143 15.918 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.107 17.670 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.494 16.633 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.135 18.605 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.233 17.221 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.827 18.226 0.019 1.00 0.00 H new ATOM 366 N HIS A 26 4.487 14.899 4.543 1.00 0.00 N ATOM 367 CA HIS A 26 3.485 14.524 5.526 1.00 0.00 C ATOM 368 C HIS A 26 2.102 14.516 4.872 1.00 0.00 C ATOM 369 O HIS A 26 1.603 15.560 4.454 1.00 0.00 O ATOM 370 CB HIS A 26 3.556 15.438 6.751 1.00 0.00 C ATOM 371 CG HIS A 26 2.230 15.641 7.445 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.622 16.879 7.551 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.403 14.751 8.064 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.481 16.730 8.208 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.347 15.410 8.525 1.00 0.00 N ATOM 0 H HIS A 26 4.511 15.893 4.317 1.00 0.00 H new ATOM 0 HA HIS A 26 3.684 13.515 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.267 15.019 7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.946 16.409 6.445 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.578 13.690 8.163 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.220 17.515 8.450 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.436 14.997 9.033 1.00 0.00 H new ATOM 383 N LEU A 27 1.521 13.328 4.805 1.00 0.00 N ATOM 384 CA LEU A 27 0.205 13.170 4.209 1.00 0.00 C ATOM 385 C LEU A 27 -0.478 11.939 4.808 1.00 0.00 C ATOM 386 O LEU A 27 0.139 11.188 5.562 1.00 0.00 O ATOM 387 CB LEU A 27 0.309 13.134 2.683 1.00 0.00 C ATOM 388 CG LEU A 27 1.636 12.628 2.112 1.00 0.00 C ATOM 389 CD1 LEU A 27 2.593 13.789 1.839 1.00 0.00 C ATOM 390 CD2 LEU A 27 2.260 11.574 3.029 1.00 0.00 C ATOM 0 H LEU A 27 1.937 12.465 5.154 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.424 14.029 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.493 12.503 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.133 14.140 2.303 1.00 0.00 H new ATOM 0 HG LEU A 27 1.435 12.145 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.528 13.402 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.141 14.472 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.793 14.322 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.202 11.231 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.445 12.010 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.578 10.730 3.130 1.00 0.00 H new ATOM 402 N TRP A 28 -1.742 11.770 4.450 1.00 0.00 N ATOM 403 CA TRP A 28 -2.515 10.643 4.943 1.00 0.00 C ATOM 404 C TRP A 28 -3.152 9.944 3.740 1.00 0.00 C ATOM 405 O TRP A 28 -3.414 10.576 2.718 1.00 0.00 O ATOM 406 CB TRP A 28 -3.541 11.095 5.984 1.00 0.00 C ATOM 407 CG TRP A 28 -4.379 9.956 6.567 1.00 0.00 C ATOM 408 CD1 TRP A 28 -5.214 9.131 5.919 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.431 9.547 7.950 1.00 0.00 C ATOM 410 NE1 TRP A 28 -5.797 8.224 6.780 1.00 0.00 N ATOM 411 CE2 TRP A 28 -5.306 8.485 8.054 1.00 0.00 C ATOM 412 CE3 TRP A 28 -3.761 10.057 9.075 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -5.591 7.843 9.265 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.057 9.404 10.278 1.00 0.00 C ATOM 415 CH2 TRP A 28 -4.935 8.334 10.400 1.00 0.00 C ATOM 0 H TRP A 28 -2.250 12.395 3.824 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.872 9.931 5.459 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.020 11.602 6.796 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.208 11.826 5.528 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.406 9.171 4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.465 7.496 6.528 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.072 10.887 9.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.280 7.013 9.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.568 9.757 11.174 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.110 7.883 11.366 1.00 0.00 H new ATOM 426 N PHE A 29 -3.384 8.650 3.902 1.00 0.00 N ATOM 427 CA PHE A 29 -3.985 7.859 2.842 1.00 0.00 C ATOM 428 C PHE A 29 -4.967 6.834 3.413 1.00 0.00 C ATOM 429 O PHE A 29 -5.027 6.634 4.625 1.00 0.00 O ATOM 430 CB PHE A 29 -2.848 7.119 2.135 1.00 0.00 C ATOM 431 CG PHE A 29 -1.725 8.033 1.639 1.00 0.00 C ATOM 432 CD1 PHE A 29 -0.692 8.349 2.465 1.00 0.00 C ATOM 433 CD2 PHE A 29 -1.760 8.528 0.373 1.00 0.00 C ATOM 434 CE1 PHE A 29 0.350 9.197 2.005 1.00 0.00 C ATOM 435 CE2 PHE A 29 -0.718 9.376 -0.087 1.00 0.00 C ATOM 436 CZ PHE A 29 0.315 9.692 0.739 1.00 0.00 C ATOM 0 H PHE A 29 -3.167 8.129 4.752 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.534 8.508 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.427 6.382 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.257 6.570 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.664 7.955 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.580 8.276 -0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.170 9.449 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.746 9.770 -1.092 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.108 10.336 0.389 1.00 0.00 H new ATOM 446 N VAL A 30 -5.712 6.210 2.512 1.00 0.00 N ATOM 447 CA VAL A 30 -6.689 5.210 2.911 1.00 0.00 C ATOM 448 C VAL A 30 -6.921 4.239 1.751 1.00 0.00 C ATOM 449 O VAL A 30 -6.675 4.578 0.595 1.00 0.00 O ATOM 450 CB VAL A 30 -7.973 5.893 3.385 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.131 4.896 3.452 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.762 6.581 4.735 1.00 0.00 C ATOM 0 H VAL A 30 -5.659 6.377 1.507 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.317 4.627 3.754 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.234 6.660 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.032 5.407 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.305 4.473 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.883 4.096 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.690 7.059 5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.465 5.841 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.980 7.334 4.641 1.00 0.00 H new ATOM 462 N ILE A 31 -7.391 3.051 2.101 1.00 0.00 N ATOM 463 CA ILE A 31 -7.659 2.029 1.104 1.00 0.00 C ATOM 464 C ILE A 31 -9.149 1.683 1.123 1.00 0.00 C ATOM 465 O ILE A 31 -9.571 0.777 1.839 1.00 0.00 O ATOM 466 CB ILE A 31 -6.745 0.821 1.317 1.00 0.00 C ATOM 467 CG1 ILE A 31 -5.272 1.219 1.195 1.00 0.00 C ATOM 468 CG2 ILE A 31 -7.111 -0.319 0.364 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.356 0.034 1.506 1.00 0.00 C ATOM 0 H ILE A 31 -7.593 2.773 3.061 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.430 2.401 0.105 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.897 0.454 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.072 1.583 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.056 2.040 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.446 -1.165 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -8.142 -0.625 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.006 0.020 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.315 0.344 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.541 -0.312 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.558 -0.776 0.805 1.00 0.00 H new ATOM 481 N LYS A 32 -9.906 2.423 0.326 1.00 0.00 N ATOM 482 CA LYS A 32 -11.340 2.206 0.241 1.00 0.00 C ATOM 483 C LYS A 32 -11.618 1.023 -0.688 1.00 0.00 C ATOM 484 O LYS A 32 -11.676 -0.122 -0.240 1.00 0.00 O ATOM 485 CB LYS A 32 -12.053 3.495 -0.174 1.00 0.00 C ATOM 486 CG LYS A 32 -13.453 3.197 -0.714 1.00 0.00 C ATOM 487 CD LYS A 32 -14.438 4.300 -0.323 1.00 0.00 C ATOM 488 CE LYS A 32 -14.515 5.377 -1.407 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.784 6.130 -1.300 1.00 0.00 N ATOM 0 H LYS A 32 -9.553 3.174 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.745 1.946 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.125 4.167 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.467 4.010 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.416 3.106 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.800 2.240 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.426 3.869 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.129 4.750 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.671 6.060 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.441 4.916 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.820 6.857 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.586 5.477 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.840 6.586 -0.367 1.00 0.00 H new ATOM 503 N ASN A 33 -11.784 1.339 -1.964 1.00 0.00 N ATOM 504 CA ASN A 33 -12.055 0.316 -2.959 1.00 0.00 C ATOM 505 C ASN A 33 -10.797 0.082 -3.799 1.00 0.00 C ATOM 506 O ASN A 33 -10.752 0.454 -4.971 1.00 0.00 O ATOM 507 CB ASN A 33 -13.179 0.748 -3.901 1.00 0.00 C ATOM 508 CG ASN A 33 -13.531 -0.370 -4.885 1.00 0.00 C ATOM 509 OD1 ASN A 33 -12.685 -1.124 -5.336 1.00 0.00 O ATOM 510 ND2 ASN A 33 -14.824 -0.435 -5.190 1.00 0.00 N ATOM 0 H ASN A 33 -11.736 2.289 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.353 -0.593 -2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.061 1.017 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.875 1.639 -4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.160 -1.148 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.480 0.228 -4.776 1.00 0.00 H new ATOM 517 N LYS A 34 -9.808 -0.533 -3.168 1.00 0.00 N ATOM 518 CA LYS A 34 -8.554 -0.821 -3.843 1.00 0.00 C ATOM 519 C LYS A 34 -8.019 0.461 -4.483 1.00 0.00 C ATOM 520 O LYS A 34 -7.230 0.406 -5.425 1.00 0.00 O ATOM 521 CB LYS A 34 -8.730 -1.975 -4.832 1.00 0.00 C ATOM 522 CG LYS A 34 -8.069 -3.252 -4.308 1.00 0.00 C ATOM 523 CD LYS A 34 -8.733 -4.496 -4.900 1.00 0.00 C ATOM 524 CE LYS A 34 -7.715 -5.622 -5.094 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.399 -6.932 -5.172 1.00 0.00 N ATOM 0 H LYS A 34 -9.850 -0.840 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.804 -1.158 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.792 -2.154 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.294 -1.704 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.009 -3.247 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.138 -3.281 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.533 -4.834 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.192 -4.247 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.142 -5.449 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.005 -5.625 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.944 -7.601 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.399 -6.818 -4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.335 -7.300 -6.143 1.00 0.00 H new ATOM 539 N VAL A 35 -8.470 1.586 -3.947 1.00 0.00 N ATOM 540 CA VAL A 35 -8.046 2.879 -4.454 1.00 0.00 C ATOM 541 C VAL A 35 -7.268 3.620 -3.365 1.00 0.00 C ATOM 542 O VAL A 35 -7.749 3.762 -2.242 1.00 0.00 O ATOM 543 CB VAL A 35 -9.257 3.664 -4.963 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.858 5.083 -5.375 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.941 2.930 -6.118 1.00 0.00 C ATOM 0 H VAL A 35 -9.125 1.628 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.375 2.754 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.973 3.742 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.737 5.619 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.438 5.607 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.114 5.035 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.798 3.510 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.235 2.806 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.278 1.951 -5.778 1.00 0.00 H new ATOM 555 N LEU A 36 -6.079 4.072 -3.735 1.00 0.00 N ATOM 556 CA LEU A 36 -5.230 4.794 -2.803 1.00 0.00 C ATOM 557 C LEU A 36 -5.633 6.270 -2.791 1.00 0.00 C ATOM 558 O LEU A 36 -5.159 7.053 -3.613 1.00 0.00 O ATOM 559 CB LEU A 36 -3.754 4.562 -3.132 1.00 0.00 C ATOM 560 CG LEU A 36 -2.746 5.108 -2.118 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.828 6.633 -2.031 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.930 4.445 -0.752 1.00 0.00 C ATOM 0 H LEU A 36 -5.683 3.952 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.370 4.417 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.590 3.489 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.543 5.012 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.743 4.859 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.102 6.996 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.610 7.065 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.831 6.926 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.202 4.850 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.937 4.642 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.783 3.369 -0.847 1.00 0.00 H new ATOM 574 N TYR A 37 -6.503 6.606 -1.850 1.00 0.00 N ATOM 575 CA TYR A 37 -6.975 7.974 -1.721 1.00 0.00 C ATOM 576 C TYR A 37 -6.030 8.800 -0.846 1.00 0.00 C ATOM 577 O TYR A 37 -5.602 8.344 0.213 1.00 0.00 O ATOM 578 CB TYR A 37 -8.340 7.886 -1.034 1.00 0.00 C ATOM 579 CG TYR A 37 -9.485 7.501 -1.973 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.981 8.424 -2.871 1.00 0.00 C ATOM 581 CD2 TYR A 37 -10.022 6.231 -1.922 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.059 8.062 -3.755 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.100 5.868 -2.805 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.565 6.802 -3.678 1.00 0.00 C ATOM 585 OH TYR A 37 -12.583 6.459 -4.513 1.00 0.00 O ATOM 0 H TYR A 37 -6.893 5.954 -1.169 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.028 8.455 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.283 7.155 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.567 8.848 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.561 9.418 -2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.634 5.509 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.456 8.775 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.529 4.877 -2.775 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.843 5.529 -4.347 1.00 0.00 H new ATOM 595 N THR A 38 -5.731 10.000 -1.322 1.00 0.00 N ATOM 596 CA THR A 38 -4.844 10.893 -0.597 1.00 0.00 C ATOM 597 C THR A 38 -5.628 11.691 0.447 1.00 0.00 C ATOM 598 O THR A 38 -6.835 11.884 0.308 1.00 0.00 O ATOM 599 CB THR A 38 -4.122 11.773 -1.618 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.154 10.906 -2.202 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.287 12.872 -0.957 1.00 0.00 C ATOM 0 H THR A 38 -6.088 10.374 -2.201 1.00 0.00 H new ATOM 0 HA THR A 38 -4.092 10.336 -0.037 1.00 0.00 H new ATOM 0 HB THR A 38 -4.853 12.225 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.557 10.565 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.795 13.468 -1.726 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.936 13.513 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.534 12.419 -0.313 1.00 0.00 H new ATOM 609 N TYR A 39 -4.910 12.133 1.469 1.00 0.00 N ATOM 610 CA TYR A 39 -5.524 12.906 2.536 1.00 0.00 C ATOM 611 C TYR A 39 -4.482 13.756 3.266 1.00 0.00 C ATOM 612 O TYR A 39 -3.287 13.650 2.993 1.00 0.00 O ATOM 613 CB TYR A 39 -6.108 11.885 3.514 1.00 0.00 C ATOM 614 CG TYR A 39 -7.379 11.198 3.010 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.597 11.840 3.111 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.308 9.937 2.455 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.793 11.193 2.638 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.505 9.290 1.981 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.688 9.950 2.096 1.00 0.00 C ATOM 620 OH TYR A 39 -10.818 9.340 1.648 1.00 0.00 O ATOM 0 H TYR A 39 -3.909 11.971 1.581 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.280 13.581 2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.355 11.125 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.327 12.385 4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.653 12.827 3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.355 9.435 2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.752 11.684 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.463 8.303 1.544 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.592 8.458 1.285 1.00 0.00 H new ATOM 630 N ALA A 40 -4.972 14.580 4.180 1.00 0.00 N ATOM 631 CA ALA A 40 -4.099 15.447 4.952 1.00 0.00 C ATOM 632 C ALA A 40 -4.200 15.078 6.434 1.00 0.00 C ATOM 633 O ALA A 40 -3.201 15.095 7.151 1.00 0.00 O ATOM 634 CB ALA A 40 -4.467 16.908 4.689 1.00 0.00 C ATOM 0 H ALA A 40 -5.964 14.666 4.403 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.061 15.313 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.812 17.558 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.350 17.127 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.502 17.081 4.983 1.00 0.00 H new ATOM 640 N ALA A 41 -5.416 14.752 6.848 1.00 0.00 N ATOM 641 CA ALA A 41 -5.660 14.380 8.231 1.00 0.00 C ATOM 642 C ALA A 41 -6.263 12.974 8.277 1.00 0.00 C ATOM 643 O ALA A 41 -6.579 12.396 7.238 1.00 0.00 O ATOM 644 CB ALA A 41 -6.565 15.424 8.888 1.00 0.00 C ATOM 0 H ALA A 41 -6.242 14.738 6.250 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.727 14.357 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.748 15.145 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.079 16.399 8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.513 15.472 8.352 1.00 0.00 H new ATOM 650 N SER A 42 -6.403 12.465 9.492 1.00 0.00 N ATOM 651 CA SER A 42 -6.962 11.138 9.687 1.00 0.00 C ATOM 652 C SER A 42 -8.392 11.088 9.147 1.00 0.00 C ATOM 653 O SER A 42 -8.708 10.262 8.291 1.00 0.00 O ATOM 654 CB SER A 42 -6.938 10.742 11.164 1.00 0.00 C ATOM 655 OG SER A 42 -7.920 9.755 11.469 1.00 0.00 O ATOM 0 H SER A 42 -6.139 12.947 10.351 1.00 0.00 H new ATOM 0 HA SER A 42 -6.348 10.424 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.950 10.361 11.421 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.109 11.626 11.779 1.00 0.00 H new ATOM 0 HG SER A 42 -7.871 9.528 12.421 1.00 0.00 H new ATOM 661 N GLU A 43 -9.219 11.982 9.668 1.00 0.00 N ATOM 662 CA GLU A 43 -10.609 12.050 9.249 1.00 0.00 C ATOM 663 C GLU A 43 -10.868 13.346 8.478 1.00 0.00 C ATOM 664 O GLU A 43 -11.718 14.145 8.868 1.00 0.00 O ATOM 665 CB GLU A 43 -11.550 11.928 10.449 1.00 0.00 C ATOM 666 CG GLU A 43 -11.593 10.490 10.969 1.00 0.00 C ATOM 667 CD GLU A 43 -13.010 9.917 10.882 1.00 0.00 C ATOM 668 OE1 GLU A 43 -13.438 9.634 9.742 1.00 0.00 O ATOM 669 OE2 GLU A 43 -13.632 9.777 11.957 1.00 0.00 O ATOM 0 H GLU A 43 -8.953 12.666 10.377 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.810 11.209 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.219 12.596 11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.553 12.245 10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.910 9.869 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.249 10.463 12.003 1.00 0.00 H new ATOM 676 N ASP A 44 -10.119 13.514 7.398 1.00 0.00 N ATOM 677 CA ASP A 44 -10.257 14.699 6.569 1.00 0.00 C ATOM 678 C ASP A 44 -11.696 14.794 6.057 1.00 0.00 C ATOM 679 O ASP A 44 -12.381 13.780 5.928 1.00 0.00 O ATOM 680 CB ASP A 44 -9.327 14.634 5.356 1.00 0.00 C ATOM 681 CG ASP A 44 -8.875 15.991 4.814 1.00 0.00 C ATOM 682 OD1 ASP A 44 -9.315 17.008 5.393 1.00 0.00 O ATOM 683 OD2 ASP A 44 -8.100 15.981 3.833 1.00 0.00 O ATOM 0 H ASP A 44 -9.415 12.849 7.078 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.998 15.567 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.444 14.055 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.833 14.091 4.558 1.00 0.00 H new ATOM 688 N VAL A 45 -12.112 16.021 5.780 1.00 0.00 N ATOM 689 CA VAL A 45 -13.457 16.261 5.285 1.00 0.00 C ATOM 690 C VAL A 45 -13.598 15.653 3.888 1.00 0.00 C ATOM 691 O VAL A 45 -14.689 15.244 3.492 1.00 0.00 O ATOM 692 CB VAL A 45 -13.768 17.759 5.320 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.205 18.195 6.720 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.569 18.579 4.840 1.00 0.00 C ATOM 0 H VAL A 45 -11.542 16.859 5.889 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.192 15.775 5.926 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.597 17.946 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.420 19.264 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.101 17.645 7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.406 17.987 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.816 19.640 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.713 18.385 5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.322 18.297 3.816 1.00 0.00 H new ATOM 704 N ALA A 46 -12.479 15.613 3.179 1.00 0.00 N ATOM 705 CA ALA A 46 -12.465 15.063 1.835 1.00 0.00 C ATOM 706 C ALA A 46 -11.028 14.702 1.452 1.00 0.00 C ATOM 707 O ALA A 46 -10.077 15.241 2.017 1.00 0.00 O ATOM 708 CB ALA A 46 -13.092 16.066 0.865 1.00 0.00 C ATOM 0 H ALA A 46 -11.576 15.953 3.511 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.059 14.150 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.081 15.652 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.121 16.267 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.521 16.995 0.883 1.00 0.00 H new ATOM 714 N ALA A 47 -10.915 13.793 0.495 1.00 0.00 N ATOM 715 CA ALA A 47 -9.610 13.354 0.030 1.00 0.00 C ATOM 716 C ALA A 47 -9.010 14.428 -0.879 1.00 0.00 C ATOM 717 O ALA A 47 -9.729 15.082 -1.632 1.00 0.00 O ATOM 718 CB ALA A 47 -9.747 12.003 -0.675 1.00 0.00 C ATOM 0 H ALA A 47 -11.706 13.348 0.029 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.930 13.215 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.768 11.674 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.150 11.268 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.421 12.103 -1.526 1.00 0.00 H new ATOM 724 N LEU A 48 -7.697 14.576 -0.779 1.00 0.00 N ATOM 725 CA LEU A 48 -6.991 15.560 -1.582 1.00 0.00 C ATOM 726 C LEU A 48 -6.902 15.063 -3.026 1.00 0.00 C ATOM 727 O LEU A 48 -7.046 15.844 -3.966 1.00 0.00 O ATOM 728 CB LEU A 48 -5.633 15.887 -0.959 1.00 0.00 C ATOM 729 CG LEU A 48 -5.655 16.321 0.508 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.240 16.370 1.087 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.389 17.653 0.675 1.00 0.00 C ATOM 0 H LEU A 48 -7.103 14.031 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.540 16.501 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.994 15.009 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.168 16.680 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.210 15.574 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.285 16.681 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.786 15.381 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.640 17.083 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.390 17.938 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.884 18.422 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.416 17.548 0.326 1.00 0.00 H new ATOM 743 N GLU A 49 -6.664 13.766 -3.158 1.00 0.00 N ATOM 744 CA GLU A 49 -6.553 13.155 -4.472 1.00 0.00 C ATOM 745 C GLU A 49 -7.024 11.700 -4.422 1.00 0.00 C ATOM 746 O GLU A 49 -7.242 11.151 -3.343 1.00 0.00 O ATOM 747 CB GLU A 49 -5.121 13.250 -5.002 1.00 0.00 C ATOM 748 CG GLU A 49 -4.830 14.649 -5.548 1.00 0.00 C ATOM 749 CD GLU A 49 -5.731 14.970 -6.743 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.445 14.425 -7.831 1.00 0.00 O ATOM 751 OE2 GLU A 49 -6.684 15.752 -6.541 1.00 0.00 O ATOM 0 H GLU A 49 -6.545 13.121 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.197 13.702 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.418 13.014 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.971 12.510 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.984 15.389 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.784 14.716 -5.848 1.00 0.00 H new ATOM 758 N SER A 50 -7.168 11.117 -5.603 1.00 0.00 N ATOM 759 CA SER A 50 -7.610 9.737 -5.708 1.00 0.00 C ATOM 760 C SER A 50 -6.841 9.025 -6.823 1.00 0.00 C ATOM 761 O SER A 50 -6.880 9.450 -7.977 1.00 0.00 O ATOM 762 CB SER A 50 -9.115 9.658 -5.967 1.00 0.00 C ATOM 763 OG SER A 50 -9.597 10.801 -6.669 1.00 0.00 O ATOM 0 H SER A 50 -6.986 11.576 -6.496 1.00 0.00 H new ATOM 0 HA SER A 50 -7.406 9.240 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.337 8.759 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.642 9.567 -5.017 1.00 0.00 H new ATOM 0 HG SER A 50 -10.562 10.712 -6.816 1.00 0.00 H new ATOM 769 N GLN A 51 -6.161 7.955 -6.440 1.00 0.00 N ATOM 770 CA GLN A 51 -5.385 7.180 -7.393 1.00 0.00 C ATOM 771 C GLN A 51 -5.511 5.685 -7.090 1.00 0.00 C ATOM 772 O GLN A 51 -5.200 5.244 -5.986 1.00 0.00 O ATOM 773 CB GLN A 51 -3.919 7.618 -7.391 1.00 0.00 C ATOM 774 CG GLN A 51 -3.187 7.088 -8.626 1.00 0.00 C ATOM 775 CD GLN A 51 -3.615 7.845 -9.884 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.749 9.058 -9.895 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.823 7.065 -10.941 1.00 0.00 N ATOM 0 H GLN A 51 -6.131 7.606 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.784 7.363 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.861 8.706 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.428 7.254 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.111 7.188 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.395 6.025 -8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.693 6.056 -10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.113 7.476 -11.829 1.00 0.00 H new ATOM 786 N PRO A 52 -5.981 4.929 -8.118 1.00 0.00 N ATOM 787 CA PRO A 52 -6.153 3.493 -7.973 1.00 0.00 C ATOM 788 C PRO A 52 -4.803 2.773 -8.014 1.00 0.00 C ATOM 789 O PRO A 52 -3.845 3.276 -8.597 1.00 0.00 O ATOM 790 CB PRO A 52 -7.076 3.090 -9.111 1.00 0.00 C ATOM 791 CG PRO A 52 -7.015 4.225 -10.120 1.00 0.00 C ATOM 792 CD PRO A 52 -6.361 5.418 -9.440 1.00 0.00 C ATOM 0 HA PRO A 52 -6.585 3.216 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.754 2.150 -9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.095 2.940 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.443 3.925 -10.998 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.016 4.484 -10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.492 5.765 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.050 6.259 -9.368 1.00 0.00 H new ATOM 800 N LEU A 53 -4.772 1.606 -7.386 1.00 0.00 N ATOM 801 CA LEU A 53 -3.556 0.812 -7.344 1.00 0.00 C ATOM 802 C LEU A 53 -3.619 -0.266 -8.428 1.00 0.00 C ATOM 803 O LEU A 53 -3.113 -1.372 -8.238 1.00 0.00 O ATOM 804 CB LEU A 53 -3.328 0.257 -5.937 1.00 0.00 C ATOM 805 CG LEU A 53 -3.389 1.275 -4.796 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.037 0.665 -3.551 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.002 1.848 -4.498 1.00 0.00 C ATOM 0 H LEU A 53 -5.569 1.192 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.687 1.433 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.073 -0.516 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.352 -0.228 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.019 2.106 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.068 1.409 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.052 0.345 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.454 -0.195 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.073 2.569 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.329 1.040 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.614 2.344 -5.388 1.00 0.00 H new ATOM 819 N LEU A 54 -4.242 0.093 -9.540 1.00 0.00 N ATOM 820 CA LEU A 54 -4.377 -0.830 -10.654 1.00 0.00 C ATOM 821 C LEU A 54 -3.105 -0.788 -11.503 1.00 0.00 C ATOM 822 O LEU A 54 -2.835 0.207 -12.175 1.00 0.00 O ATOM 823 CB LEU A 54 -5.653 -0.533 -11.444 1.00 0.00 C ATOM 824 CG LEU A 54 -6.271 -1.717 -12.190 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.221 -2.439 -13.038 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.978 -2.667 -11.221 1.00 0.00 C ATOM 0 H LEU A 54 -4.659 1.011 -9.694 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.485 -1.852 -10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.398 -0.134 -10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.434 0.252 -12.167 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.028 -1.333 -12.874 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.686 -3.276 -13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.803 -1.746 -13.768 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.425 -2.810 -12.393 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.409 -3.500 -11.777 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.259 -3.048 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.771 -2.131 -10.699 1.00 0.00 H new ATOM 838 N GLY A 55 -2.356 -1.879 -11.444 1.00 0.00 N ATOM 839 CA GLY A 55 -1.118 -1.979 -12.198 1.00 0.00 C ATOM 840 C GLY A 55 0.089 -1.657 -11.316 1.00 0.00 C ATOM 841 O GLY A 55 1.145 -2.273 -11.454 1.00 0.00 O ATOM 0 H GLY A 55 -2.583 -2.702 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.017 -2.985 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.147 -1.293 -13.045 1.00 0.00 H new ATOM 845 N PHE A 56 -0.106 -0.693 -10.429 1.00 0.00 N ATOM 846 CA PHE A 56 0.954 -0.281 -9.524 1.00 0.00 C ATOM 847 C PHE A 56 1.562 -1.489 -8.808 1.00 0.00 C ATOM 848 O PHE A 56 1.121 -2.620 -9.006 1.00 0.00 O ATOM 849 CB PHE A 56 0.320 0.647 -8.486 1.00 0.00 C ATOM 850 CG PHE A 56 0.110 2.080 -8.979 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.025 2.407 -9.655 1.00 0.00 C ATOM 852 CD2 PHE A 56 1.057 3.027 -8.743 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.220 3.737 -10.112 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.862 4.357 -9.200 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.273 4.684 -9.875 1.00 0.00 C ATOM 0 H PHE A 56 -0.983 -0.185 -10.317 1.00 0.00 H new ATOM 0 HA PHE A 56 1.748 0.215 -10.081 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.642 0.233 -8.183 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.952 0.668 -7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.777 1.655 -9.844 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.958 2.767 -8.207 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.121 3.997 -10.648 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.614 5.109 -9.012 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.422 5.696 -10.223 1.00 0.00 H new ATOM 865 N THR A 57 2.566 -1.207 -7.990 1.00 0.00 N ATOM 866 CA THR A 57 3.239 -2.256 -7.243 1.00 0.00 C ATOM 867 C THR A 57 3.878 -1.682 -5.977 1.00 0.00 C ATOM 868 O THR A 57 3.952 -0.466 -5.811 1.00 0.00 O ATOM 869 CB THR A 57 4.244 -2.932 -8.178 1.00 0.00 C ATOM 870 OG1 THR A 57 3.547 -3.041 -9.416 1.00 0.00 O ATOM 871 CG2 THR A 57 4.529 -4.382 -7.782 1.00 0.00 C ATOM 0 H THR A 57 2.929 -0.268 -7.828 1.00 0.00 H new ATOM 0 HA THR A 57 2.533 -3.012 -6.899 1.00 0.00 H new ATOM 0 HB THR A 57 5.176 -2.366 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.681 -3.474 -9.267 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.248 -4.815 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.939 -4.410 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.603 -4.956 -7.813 1.00 0.00 H new ATOM 879 N VAL A 58 4.324 -2.586 -5.117 1.00 0.00 N ATOM 880 CA VAL A 58 4.955 -2.185 -3.870 1.00 0.00 C ATOM 881 C VAL A 58 6.092 -3.154 -3.544 1.00 0.00 C ATOM 882 O VAL A 58 6.062 -4.313 -3.955 1.00 0.00 O ATOM 883 CB VAL A 58 3.907 -2.097 -2.758 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.427 -2.727 -1.465 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.473 -0.649 -2.527 1.00 0.00 C ATOM 0 H VAL A 58 4.261 -3.594 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 58 5.393 -1.191 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 58 3.031 -2.662 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.663 -2.651 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.663 -3.777 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.326 -2.203 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.728 -0.615 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.338 -0.051 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.043 -0.247 -3.445 1.00 0.00 H new ATOM 895 N THR A 59 7.070 -2.644 -2.809 1.00 0.00 N ATOM 896 CA THR A 59 8.215 -3.450 -2.424 1.00 0.00 C ATOM 897 C THR A 59 8.901 -2.850 -1.195 1.00 0.00 C ATOM 898 O THR A 59 9.187 -1.654 -1.162 1.00 0.00 O ATOM 899 CB THR A 59 9.139 -3.570 -3.637 1.00 0.00 C ATOM 900 OG1 THR A 59 9.930 -4.723 -3.360 1.00 0.00 O ATOM 901 CG2 THR A 59 10.157 -2.430 -3.712 1.00 0.00 C ATOM 0 H THR A 59 7.092 -1.682 -2.470 1.00 0.00 H new ATOM 0 HA THR A 59 7.910 -4.454 -2.129 1.00 0.00 H new ATOM 0 HB THR A 59 8.541 -3.584 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.557 -4.875 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.788 -2.563 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.632 -1.477 -3.783 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.777 -2.437 -2.816 1.00 0.00 H new ATOM 909 N LEU A 60 9.143 -3.707 -0.214 1.00 0.00 N ATOM 910 CA LEU A 60 9.789 -3.276 1.014 1.00 0.00 C ATOM 911 C LEU A 60 11.243 -2.903 0.716 1.00 0.00 C ATOM 912 O LEU A 60 11.908 -3.567 -0.077 1.00 0.00 O ATOM 913 CB LEU A 60 9.639 -4.342 2.101 1.00 0.00 C ATOM 914 CG LEU A 60 10.343 -4.052 3.428 1.00 0.00 C ATOM 915 CD1 LEU A 60 11.850 -4.291 3.312 1.00 0.00 C ATOM 916 CD2 LEU A 60 10.024 -2.639 3.920 1.00 0.00 C ATOM 0 H LEU A 60 8.903 -4.698 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 60 9.303 -2.383 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.577 -4.483 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.018 -5.286 1.710 1.00 0.00 H new ATOM 0 HG LEU A 60 9.963 -4.748 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.327 -4.078 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.034 -5.330 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.264 -3.636 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.537 -2.458 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.359 -1.912 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.948 -2.539 4.066 1.00 0.00 H new ATOM 928 N VAL A 61 11.693 -1.841 1.369 1.00 0.00 N ATOM 929 CA VAL A 61 13.056 -1.372 1.184 1.00 0.00 C ATOM 930 C VAL A 61 13.811 -1.475 2.511 1.00 0.00 C ATOM 931 O VAL A 61 13.249 -1.205 3.571 1.00 0.00 O ATOM 932 CB VAL A 61 13.047 0.046 0.609 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.937 0.888 1.243 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.411 0.717 0.784 1.00 0.00 C ATOM 0 H VAL A 61 11.138 -1.293 2.026 1.00 0.00 H new ATOM 0 HA VAL A 61 13.581 -1.998 0.462 1.00 0.00 H new ATOM 0 HB VAL A 61 12.844 -0.027 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.953 1.891 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.971 0.425 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.096 0.949 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.378 1.724 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.656 0.772 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.172 0.134 0.265 1.00 0.00 H new ATOM 944 N LYS A 62 15.072 -1.866 2.408 1.00 0.00 N ATOM 945 CA LYS A 62 15.910 -2.008 3.587 1.00 0.00 C ATOM 946 C LYS A 62 15.915 -0.691 4.366 1.00 0.00 C ATOM 947 O LYS A 62 15.225 -0.560 5.376 1.00 0.00 O ATOM 948 CB LYS A 62 17.306 -2.497 3.197 1.00 0.00 C ATOM 949 CG LYS A 62 17.301 -4.000 2.913 1.00 0.00 C ATOM 950 CD LYS A 62 18.665 -4.621 3.222 1.00 0.00 C ATOM 951 CE LYS A 62 19.706 -4.203 2.182 1.00 0.00 C ATOM 952 NZ LYS A 62 20.959 -4.969 2.367 1.00 0.00 N ATOM 0 H LYS A 62 15.534 -2.089 1.527 1.00 0.00 H new ATOM 0 HA LYS A 62 15.505 -2.771 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.651 -1.958 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.010 -2.277 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.532 -4.485 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.046 -4.175 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.993 -4.312 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.579 -5.707 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.315 -4.371 1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.909 -3.136 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.655 -4.673 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.340 -4.788 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.764 -5.985 2.260 1.00 0.00 H new ATOM 966 N ASP A 63 16.700 0.252 3.866 1.00 0.00 N ATOM 967 CA ASP A 63 16.804 1.554 4.502 1.00 0.00 C ATOM 968 C ASP A 63 17.437 1.393 5.886 1.00 0.00 C ATOM 969 O ASP A 63 17.395 0.310 6.468 1.00 0.00 O ATOM 970 CB ASP A 63 15.425 2.190 4.684 1.00 0.00 C ATOM 971 CG ASP A 63 15.439 3.687 5.000 1.00 0.00 C ATOM 972 OD1 ASP A 63 15.674 4.015 6.183 1.00 0.00 O ATOM 973 OD2 ASP A 63 15.214 4.469 4.051 1.00 0.00 O ATOM 0 H ASP A 63 17.270 0.140 3.028 1.00 0.00 H new ATOM 0 HA ASP A 63 17.414 2.193 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.846 2.032 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.905 1.669 5.488 1.00 0.00 H new ATOM 978 N GLU A 64 18.008 2.485 6.372 1.00 0.00 N ATOM 979 CA GLU A 64 18.648 2.478 7.676 1.00 0.00 C ATOM 980 C GLU A 64 17.759 3.174 8.708 1.00 0.00 C ATOM 981 O GLU A 64 17.321 2.553 9.675 1.00 0.00 O ATOM 982 CB GLU A 64 20.030 3.132 7.612 1.00 0.00 C ATOM 983 CG GLU A 64 20.543 3.468 9.014 1.00 0.00 C ATOM 984 CD GLU A 64 20.089 2.418 10.030 1.00 0.00 C ATOM 985 OE1 GLU A 64 20.229 1.219 9.708 1.00 0.00 O ATOM 986 OE2 GLU A 64 19.612 2.839 11.106 1.00 0.00 O ATOM 0 H GLU A 64 18.041 3.381 5.886 1.00 0.00 H new ATOM 0 HA GLU A 64 18.787 1.442 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.731 2.461 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.979 4.041 7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.632 3.522 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.178 4.450 9.313 1.00 0.00 H new ATOM 993 N ASN A 65 17.519 4.455 8.467 1.00 0.00 N ATOM 994 CA ASN A 65 16.690 5.242 9.363 1.00 0.00 C ATOM 995 C ASN A 65 15.400 4.475 9.664 1.00 0.00 C ATOM 996 O ASN A 65 15.055 4.266 10.826 1.00 0.00 O ATOM 997 CB ASN A 65 16.306 6.580 8.726 1.00 0.00 C ATOM 998 CG ASN A 65 15.906 7.600 9.793 1.00 0.00 C ATOM 999 OD1 ASN A 65 16.733 8.164 10.491 1.00 0.00 O ATOM 1000 ND2 ASN A 65 14.595 7.806 9.881 1.00 0.00 N ATOM 0 H ASN A 65 17.884 4.967 7.664 1.00 0.00 H new ATOM 0 HA ASN A 65 17.259 5.426 10.274 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.145 6.965 8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.479 6.432 8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.228 8.469 10.563 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.957 7.301 9.266 1.00 0.00 H new ATOM 1007 N SER A 66 14.724 4.077 8.597 1.00 0.00 N ATOM 1008 CA SER A 66 13.480 3.338 8.732 1.00 0.00 C ATOM 1009 C SER A 66 13.768 1.911 9.203 1.00 0.00 C ATOM 1010 O SER A 66 13.419 1.540 10.322 1.00 0.00 O ATOM 1011 CB SER A 66 12.706 3.315 7.413 1.00 0.00 C ATOM 1012 OG SER A 66 12.185 4.598 7.078 1.00 0.00 O ATOM 0 H SER A 66 15.014 4.252 7.635 1.00 0.00 H new ATOM 0 HA SER A 66 12.862 3.842 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.362 2.970 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.888 2.599 7.485 1.00 0.00 H new ATOM 0 HG SER A 66 12.426 4.818 6.154 1.00 0.00 H new ATOM 1018 N GLU A 67 14.403 1.149 8.324 1.00 0.00 N ATOM 1019 CA GLU A 67 14.743 -0.229 8.636 1.00 0.00 C ATOM 1020 C GLU A 67 13.497 -1.114 8.552 1.00 0.00 C ATOM 1021 O GLU A 67 12.711 -1.177 9.495 1.00 0.00 O ATOM 1022 CB GLU A 67 15.398 -0.335 10.014 1.00 0.00 C ATOM 1023 CG GLU A 67 16.816 -0.898 9.905 1.00 0.00 C ATOM 1024 CD GLU A 67 16.932 -2.236 10.639 1.00 0.00 C ATOM 1025 OE1 GLU A 67 16.767 -2.220 11.878 1.00 0.00 O ATOM 1026 OE2 GLU A 67 17.182 -3.245 9.944 1.00 0.00 O ATOM 0 H GLU A 67 14.691 1.460 7.396 1.00 0.00 H new ATOM 0 HA GLU A 67 15.466 -0.580 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.428 0.649 10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.797 -0.977 10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.079 -1.031 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.527 -0.186 10.324 1.00 0.00 H new ATOM 1033 N SER A 68 13.357 -1.777 7.413 1.00 0.00 N ATOM 1034 CA SER A 68 12.221 -2.656 7.194 1.00 0.00 C ATOM 1035 C SER A 68 10.955 -2.031 7.782 1.00 0.00 C ATOM 1036 O SER A 68 10.098 -2.737 8.311 1.00 0.00 O ATOM 1037 CB SER A 68 12.466 -4.036 7.807 1.00 0.00 C ATOM 1038 OG SER A 68 13.735 -4.568 7.436 1.00 0.00 O ATOM 0 H SER A 68 14.011 -1.723 6.632 1.00 0.00 H new ATOM 0 HA SER A 68 12.090 -2.784 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.406 -3.966 8.893 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.679 -4.719 7.488 1.00 0.00 H new ATOM 0 HG SER A 68 13.854 -5.449 7.849 1.00 0.00 H new ATOM 1044 N LYS A 69 10.876 -0.713 7.669 1.00 0.00 N ATOM 1045 CA LYS A 69 9.729 0.015 8.183 1.00 0.00 C ATOM 1046 C LYS A 69 9.263 1.030 7.136 1.00 0.00 C ATOM 1047 O LYS A 69 8.432 1.889 7.426 1.00 0.00 O ATOM 1048 CB LYS A 69 10.055 0.639 9.541 1.00 0.00 C ATOM 1049 CG LYS A 69 9.038 1.723 9.905 1.00 0.00 C ATOM 1050 CD LYS A 69 9.026 1.979 11.414 1.00 0.00 C ATOM 1051 CE LYS A 69 9.859 3.213 11.767 1.00 0.00 C ATOM 1052 NZ LYS A 69 11.268 2.833 12.015 1.00 0.00 N ATOM 0 H LYS A 69 11.588 -0.131 7.229 1.00 0.00 H new ATOM 0 HA LYS A 69 8.896 -0.665 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.058 -0.134 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.057 1.068 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.280 2.646 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.044 1.420 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.000 2.119 11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.420 1.108 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.809 3.938 10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.446 3.697 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.816 3.679 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.310 2.146 12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.669 2.407 11.155 1.00 0.00 H new ATOM 1066 N VAL A 70 9.820 0.896 5.941 1.00 0.00 N ATOM 1067 CA VAL A 70 9.472 1.790 4.850 1.00 0.00 C ATOM 1068 C VAL A 70 9.355 0.985 3.554 1.00 0.00 C ATOM 1069 O VAL A 70 9.991 -0.058 3.407 1.00 0.00 O ATOM 1070 CB VAL A 70 10.493 2.926 4.758 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.921 2.378 4.725 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.218 3.814 3.543 1.00 0.00 C ATOM 0 H VAL A 70 10.509 0.182 5.705 1.00 0.00 H new ATOM 0 HA VAL A 70 8.503 2.256 5.032 1.00 0.00 H new ATOM 0 HB VAL A 70 10.391 3.541 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.627 3.206 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.113 1.808 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.042 1.729 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.958 4.613 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.279 3.216 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.221 4.247 3.627 1.00 0.00 H new ATOM 1082 N PHE A 71 8.537 1.499 2.647 1.00 0.00 N ATOM 1083 CA PHE A 71 8.329 0.841 1.369 1.00 0.00 C ATOM 1084 C PHE A 71 8.236 1.864 0.234 1.00 0.00 C ATOM 1085 O PHE A 71 8.143 3.065 0.483 1.00 0.00 O ATOM 1086 CB PHE A 71 7.003 0.083 1.466 1.00 0.00 C ATOM 1087 CG PHE A 71 5.877 0.882 2.125 1.00 0.00 C ATOM 1088 CD1 PHE A 71 5.943 1.186 3.449 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.809 1.288 1.387 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.898 1.928 4.061 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.764 2.029 1.998 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.830 2.334 3.322 1.00 0.00 C ATOM 0 H PHE A 71 8.011 2.364 2.772 1.00 0.00 H new ATOM 0 HA PHE A 71 9.164 0.174 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.689 -0.209 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.162 -0.836 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.791 0.863 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.756 1.046 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.951 2.170 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.916 2.351 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.035 2.898 3.787 1.00 0.00 H new ATOM 1102 N GLN A 72 8.264 1.350 -0.987 1.00 0.00 N ATOM 1103 CA GLN A 72 8.183 2.203 -2.160 1.00 0.00 C ATOM 1104 C GLN A 72 7.003 1.786 -3.040 1.00 0.00 C ATOM 1105 O GLN A 72 6.658 0.607 -3.104 1.00 0.00 O ATOM 1106 CB GLN A 72 9.494 2.174 -2.950 1.00 0.00 C ATOM 1107 CG GLN A 72 10.623 2.840 -2.162 1.00 0.00 C ATOM 1108 CD GLN A 72 11.949 2.750 -2.922 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.619 3.738 -3.173 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.288 1.512 -3.272 1.00 0.00 N ATOM 0 H GLN A 72 8.342 0.353 -1.189 1.00 0.00 H new ATOM 0 HA GLN A 72 8.019 3.228 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.763 1.142 -3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.360 2.686 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.375 3.885 -1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.724 2.360 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.681 0.729 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.155 1.346 -3.782 1.00 0.00 H new ATOM 1119 N LEU A 73 6.417 2.776 -3.696 1.00 0.00 N ATOM 1120 CA LEU A 73 5.283 2.527 -4.569 1.00 0.00 C ATOM 1121 C LEU A 73 5.770 2.430 -6.016 1.00 0.00 C ATOM 1122 O LEU A 73 6.017 3.447 -6.662 1.00 0.00 O ATOM 1123 CB LEU A 73 4.199 3.586 -4.356 1.00 0.00 C ATOM 1124 CG LEU A 73 2.989 3.505 -5.289 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.253 2.175 -5.118 1.00 0.00 C ATOM 1126 CD2 LEU A 73 2.060 4.704 -5.087 1.00 0.00 C ATOM 0 H LEU A 73 6.706 3.753 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 73 4.817 1.573 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.845 3.513 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.654 4.570 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 73 3.347 3.545 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.397 2.143 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.929 1.352 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.907 2.080 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.208 4.622 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.706 4.720 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.603 5.625 -5.299 1.00 0.00 H new ATOM 1138 N LEU A 74 5.895 1.196 -6.483 1.00 0.00 N ATOM 1139 CA LEU A 74 6.349 0.952 -7.842 1.00 0.00 C ATOM 1140 C LEU A 74 5.161 1.066 -8.800 1.00 0.00 C ATOM 1141 O LEU A 74 4.027 0.771 -8.426 1.00 0.00 O ATOM 1142 CB LEU A 74 7.083 -0.387 -7.930 1.00 0.00 C ATOM 1143 CG LEU A 74 8.525 -0.396 -7.418 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.745 -1.534 -6.419 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.519 -0.453 -8.579 1.00 0.00 C ATOM 0 H LEU A 74 5.690 0.354 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 74 7.075 1.707 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.514 -1.128 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.086 -0.709 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 74 8.704 0.539 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.778 -1.518 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.074 -1.407 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.541 -2.489 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.536 -0.458 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.349 -1.360 -9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.381 0.419 -9.219 1.00 0.00 H new ATOM 1157 N HIS A 75 5.462 1.494 -10.017 1.00 0.00 N ATOM 1158 CA HIS A 75 4.434 1.651 -11.031 1.00 0.00 C ATOM 1159 C HIS A 75 4.945 1.112 -12.368 1.00 0.00 C ATOM 1160 O HIS A 75 5.611 1.827 -13.116 1.00 0.00 O ATOM 1161 CB HIS A 75 3.972 3.107 -11.117 1.00 0.00 C ATOM 1162 CG HIS A 75 3.087 3.402 -12.304 1.00 0.00 C ATOM 1163 ND1 HIS A 75 3.547 4.049 -13.438 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.768 3.131 -12.523 1.00 0.00 C ATOM 1165 CE1 HIS A 75 2.541 4.158 -14.294 1.00 0.00 C ATOM 1166 NE2 HIS A 75 1.439 3.589 -13.724 1.00 0.00 N ATOM 0 H HIS A 75 6.404 1.737 -10.324 1.00 0.00 H new ATOM 0 HA HIS A 75 3.555 1.068 -10.755 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.434 3.361 -10.204 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.849 3.753 -11.161 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.104 2.629 -11.835 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.585 4.616 -15.271 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.515 3.526 -14.151 1.00 0.00 H new ATOM 1174 N LYS A 76 4.615 -0.144 -12.629 1.00 0.00 N ATOM 1175 CA LYS A 76 5.033 -0.787 -13.863 1.00 0.00 C ATOM 1176 C LYS A 76 6.422 -1.398 -13.670 1.00 0.00 C ATOM 1177 O LYS A 76 6.829 -2.276 -14.429 1.00 0.00 O ATOM 1178 CB LYS A 76 4.949 0.194 -15.034 1.00 0.00 C ATOM 1179 CG LYS A 76 3.672 1.032 -14.957 1.00 0.00 C ATOM 1180 CD LYS A 76 3.140 1.352 -16.355 1.00 0.00 C ATOM 1181 CE LYS A 76 3.792 2.618 -16.914 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.670 2.287 -18.059 1.00 0.00 N ATOM 0 H LYS A 76 4.063 -0.734 -12.007 1.00 0.00 H new ATOM 0 HA LYS A 76 4.357 -1.605 -14.114 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.820 0.850 -15.027 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.972 -0.355 -15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.913 0.493 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.873 1.959 -14.420 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.335 0.513 -17.023 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.059 1.483 -16.315 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.022 3.321 -17.230 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.372 3.110 -16.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.104 3.158 -18.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.416 1.633 -17.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.107 1.838 -18.809 1.00 0.00 H new ATOM 1196 N GLY A 77 7.113 -0.907 -12.651 1.00 0.00 N ATOM 1197 CA GLY A 77 8.448 -1.393 -12.349 1.00 0.00 C ATOM 1198 C GLY A 77 9.321 -0.276 -11.774 1.00 0.00 C ATOM 1199 O GLY A 77 10.313 -0.544 -11.097 1.00 0.00 O ATOM 0 H GLY A 77 6.773 -0.178 -12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.387 -2.215 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.908 -1.790 -13.254 1.00 0.00 H new ATOM 1203 N MET A 78 8.921 0.953 -12.065 1.00 0.00 N ATOM 1204 CA MET A 78 9.655 2.112 -11.586 1.00 0.00 C ATOM 1205 C MET A 78 9.039 2.655 -10.295 1.00 0.00 C ATOM 1206 O MET A 78 7.821 2.639 -10.129 1.00 0.00 O ATOM 1207 CB MET A 78 9.640 3.205 -12.657 1.00 0.00 C ATOM 1208 CG MET A 78 11.013 3.868 -12.783 1.00 0.00 C ATOM 1209 SD MET A 78 10.831 5.644 -12.825 1.00 0.00 S ATOM 1210 CE MET A 78 12.531 6.123 -13.080 1.00 0.00 C ATOM 0 H MET A 78 8.098 1.172 -12.627 1.00 0.00 H new ATOM 0 HA MET A 78 10.681 1.808 -11.378 1.00 0.00 H new ATOM 0 HB2 MET A 78 9.350 2.775 -13.616 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.891 3.956 -12.405 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.644 3.579 -11.943 1.00 0.00 H new ATOM 0 HG3 MET A 78 11.511 3.523 -13.689 1.00 0.00 H new ATOM 0 HE1 MET A 78 12.599 7.210 -13.131 1.00 0.00 H new ATOM 0 HE2 MET A 78 13.140 5.759 -12.252 1.00 0.00 H new ATOM 0 HE3 MET A 78 12.894 5.693 -14.013 1.00 0.00 H new ATOM 1220 N VAL A 79 9.911 3.123 -9.413 1.00 0.00 N ATOM 1221 CA VAL A 79 9.469 3.670 -8.142 1.00 0.00 C ATOM 1222 C VAL A 79 8.690 4.963 -8.391 1.00 0.00 C ATOM 1223 O VAL A 79 9.092 5.785 -9.213 1.00 0.00 O ATOM 1224 CB VAL A 79 10.667 3.863 -7.210 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.304 4.769 -6.031 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.204 2.516 -6.721 1.00 0.00 C ATOM 0 H VAL A 79 10.921 3.134 -9.554 1.00 0.00 H new ATOM 0 HA VAL A 79 8.794 2.976 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 79 11.458 4.353 -7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.173 4.890 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.991 5.744 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.489 4.319 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.055 2.682 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.421 1.987 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.519 1.918 -7.576 1.00 0.00 H new ATOM 1236 N PHE A 80 7.590 5.103 -7.665 1.00 0.00 N ATOM 1237 CA PHE A 80 6.752 6.283 -7.797 1.00 0.00 C ATOM 1238 C PHE A 80 6.938 7.224 -6.605 1.00 0.00 C ATOM 1239 O PHE A 80 7.029 8.439 -6.776 1.00 0.00 O ATOM 1240 CB PHE A 80 5.301 5.800 -7.828 1.00 0.00 C ATOM 1241 CG PHE A 80 4.291 6.886 -8.204 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.416 7.551 -9.384 1.00 0.00 C ATOM 1243 CD2 PHE A 80 3.269 7.186 -7.359 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.479 8.559 -9.733 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.332 8.194 -7.708 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.457 8.859 -8.888 1.00 0.00 C ATOM 0 H PHE A 80 7.260 4.419 -6.984 1.00 0.00 H new ATOM 0 HA PHE A 80 7.019 6.829 -8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.218 4.979 -8.540 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.041 5.400 -6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.228 7.312 -10.055 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.170 6.658 -6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.578 9.087 -10.670 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.520 8.433 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.744 9.626 -9.154 1.00 0.00 H new ATOM 1256 N TYR A 81 6.990 6.627 -5.423 1.00 0.00 N ATOM 1257 CA TYR A 81 7.163 7.396 -4.203 1.00 0.00 C ATOM 1258 C TYR A 81 7.648 6.506 -3.057 1.00 0.00 C ATOM 1259 O TYR A 81 7.507 5.285 -3.113 1.00 0.00 O ATOM 1260 CB TYR A 81 5.780 7.949 -3.853 1.00 0.00 C ATOM 1261 CG TYR A 81 5.391 9.199 -4.645 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.283 10.245 -4.767 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.147 9.279 -5.238 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.916 11.421 -5.513 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.780 10.455 -5.984 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.683 11.468 -6.085 1.00 0.00 C ATOM 1267 OH TYR A 81 4.336 12.578 -6.789 1.00 0.00 O ATOM 0 H TYR A 81 6.915 5.619 -5.285 1.00 0.00 H new ATOM 0 HA TYR A 81 7.904 8.183 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.035 7.173 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.752 8.182 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.256 10.182 -4.303 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.449 8.460 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.604 12.247 -5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.810 10.531 -6.453 1.00 0.00 H new ATOM 0 HH TYR A 81 3.428 12.471 -7.142 1.00 0.00 H new ATOM 1277 N VAL A 82 8.211 7.151 -2.046 1.00 0.00 N ATOM 1278 CA VAL A 82 8.717 6.433 -0.889 1.00 0.00 C ATOM 1279 C VAL A 82 7.744 6.603 0.279 1.00 0.00 C ATOM 1280 O VAL A 82 7.571 7.708 0.792 1.00 0.00 O ATOM 1281 CB VAL A 82 10.135 6.905 -0.559 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.775 6.015 0.508 1.00 0.00 C ATOM 1283 CG2 VAL A 82 11.001 6.961 -1.819 1.00 0.00 C ATOM 0 H VAL A 82 8.328 8.163 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 82 8.785 5.366 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 82 10.066 7.915 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.782 6.372 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.175 6.049 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.825 4.989 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.003 7.299 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.058 5.968 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.559 7.655 -2.534 1.00 0.00 H new ATOM 1293 N PHE A 83 7.132 5.493 0.665 1.00 0.00 N ATOM 1294 CA PHE A 83 6.180 5.505 1.762 1.00 0.00 C ATOM 1295 C PHE A 83 6.796 4.907 3.029 1.00 0.00 C ATOM 1296 O PHE A 83 7.316 3.793 3.004 1.00 0.00 O ATOM 1297 CB PHE A 83 4.990 4.645 1.332 1.00 0.00 C ATOM 1298 CG PHE A 83 4.017 5.356 0.390 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.263 6.392 0.846 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.906 4.952 -0.904 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.360 7.052 -0.029 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.003 5.612 -1.779 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.249 6.648 -1.323 1.00 0.00 C ATOM 0 H PHE A 83 7.277 4.579 0.237 1.00 0.00 H new ATOM 0 HA PHE A 83 5.881 6.530 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.363 3.746 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.448 4.322 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.351 6.713 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.505 4.129 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.761 7.875 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.915 5.291 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.562 7.150 -1.988 1.00 0.00 H new ATOM 1313 N LYS A 84 6.716 5.674 4.107 1.00 0.00 N ATOM 1314 CA LYS A 84 7.258 5.233 5.380 1.00 0.00 C ATOM 1315 C LYS A 84 6.127 5.136 6.405 1.00 0.00 C ATOM 1316 O LYS A 84 5.245 5.992 6.445 1.00 0.00 O ATOM 1317 CB LYS A 84 8.407 6.144 5.817 1.00 0.00 C ATOM 1318 CG LYS A 84 8.841 5.830 7.251 1.00 0.00 C ATOM 1319 CD LYS A 84 9.235 7.107 7.996 1.00 0.00 C ATOM 1320 CE LYS A 84 10.698 7.053 8.440 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.177 8.403 8.811 1.00 0.00 N ATOM 0 H LYS A 84 6.284 6.598 4.124 1.00 0.00 H new ATOM 0 HA LYS A 84 7.689 4.236 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.253 6.018 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.096 7.186 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.028 5.332 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.683 5.138 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.079 7.972 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.592 7.238 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.802 6.378 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.314 6.650 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.172 8.348 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.096 9.038 7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.600 8.773 9.593 1.00 0.00 H new ATOM 1335 N ALA A 85 6.189 4.085 7.210 1.00 0.00 N ATOM 1336 CA ALA A 85 5.180 3.864 8.233 1.00 0.00 C ATOM 1337 C ALA A 85 5.759 4.230 9.601 1.00 0.00 C ATOM 1338 O ALA A 85 6.975 4.229 9.785 1.00 0.00 O ATOM 1339 CB ALA A 85 4.700 2.413 8.172 1.00 0.00 C ATOM 0 H ALA A 85 6.922 3.377 7.175 1.00 0.00 H new ATOM 0 HA ALA A 85 4.313 4.501 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.944 2.247 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.271 2.213 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.543 1.743 8.343 1.00 0.00 H new ATOM 1345 N ASP A 86 4.860 4.534 10.526 1.00 0.00 N ATOM 1346 CA ASP A 86 5.267 4.901 11.872 1.00 0.00 C ATOM 1347 C ASP A 86 6.059 3.749 12.493 1.00 0.00 C ATOM 1348 O ASP A 86 7.241 3.898 12.800 1.00 0.00 O ATOM 1349 CB ASP A 86 4.050 5.171 12.760 1.00 0.00 C ATOM 1350 CG ASP A 86 3.269 6.441 12.417 1.00 0.00 C ATOM 1351 OD1 ASP A 86 2.517 6.393 11.420 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.441 7.431 13.161 1.00 0.00 O ATOM 0 H ASP A 86 3.852 4.534 10.370 1.00 0.00 H new ATOM 0 HA ASP A 86 5.874 5.804 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.375 4.318 12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.382 5.235 13.796 1.00 0.00 H new ATOM 1357 N ASP A 87 5.376 2.625 12.659 1.00 0.00 N ATOM 1358 CA ASP A 87 6.002 1.448 13.237 1.00 0.00 C ATOM 1359 C ASP A 87 6.305 0.439 12.128 1.00 0.00 C ATOM 1360 O ASP A 87 5.697 0.486 11.059 1.00 0.00 O ATOM 1361 CB ASP A 87 5.074 0.773 14.250 1.00 0.00 C ATOM 1362 CG ASP A 87 5.105 1.376 15.656 1.00 0.00 C ATOM 1363 OD1 ASP A 87 6.165 1.934 16.011 1.00 0.00 O ATOM 1364 OD2 ASP A 87 4.067 1.264 16.344 1.00 0.00 O ATOM 0 H ASP A 87 4.396 2.505 12.403 1.00 0.00 H new ATOM 0 HA ASP A 87 6.916 1.765 13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.052 0.821 13.873 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.340 -0.282 14.317 1.00 0.00 H new ATOM 1369 N ALA A 88 7.243 -0.449 12.420 1.00 0.00 N ATOM 1370 CA ALA A 88 7.634 -1.468 11.460 1.00 0.00 C ATOM 1371 C ALA A 88 6.406 -2.293 11.070 1.00 0.00 C ATOM 1372 O ALA A 88 6.087 -2.417 9.889 1.00 0.00 O ATOM 1373 CB ALA A 88 8.751 -2.328 12.055 1.00 0.00 C ATOM 0 H ALA A 88 7.744 -0.485 13.308 1.00 0.00 H new ATOM 0 HA ALA A 88 8.025 -1.010 10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.044 -3.092 11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.610 -1.699 12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.395 -2.806 12.967 1.00 0.00 H new ATOM 1379 N HIS A 89 5.751 -2.836 12.086 1.00 0.00 N ATOM 1380 CA HIS A 89 4.565 -3.646 11.865 1.00 0.00 C ATOM 1381 C HIS A 89 3.693 -2.996 10.789 1.00 0.00 C ATOM 1382 O HIS A 89 3.306 -3.648 9.821 1.00 0.00 O ATOM 1383 CB HIS A 89 3.814 -3.878 13.177 1.00 0.00 C ATOM 1384 CG HIS A 89 4.440 -4.926 14.066 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.390 -6.279 13.779 1.00 0.00 N ATOM 1386 CD2 HIS A 89 5.129 -4.806 15.236 1.00 0.00 C ATOM 1387 CE1 HIS A 89 5.024 -6.934 14.741 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.481 -6.019 15.643 1.00 0.00 N ATOM 0 H HIS A 89 6.019 -2.731 13.064 1.00 0.00 H new ATOM 0 HA HIS A 89 4.855 -4.632 11.501 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.760 -2.937 13.724 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.790 -4.174 12.950 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.351 -3.880 15.746 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.156 -8.004 14.800 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.007 -6.232 16.491 1.00 0.00 H new ATOM 1396 N SER A 90 3.410 -1.718 10.995 1.00 0.00 N ATOM 1397 CA SER A 90 2.591 -0.972 10.055 1.00 0.00 C ATOM 1398 C SER A 90 3.101 -1.190 8.629 1.00 0.00 C ATOM 1399 O SER A 90 2.331 -1.547 7.738 1.00 0.00 O ATOM 1400 CB SER A 90 2.583 0.520 10.394 1.00 0.00 C ATOM 1401 OG SER A 90 2.018 0.773 11.677 1.00 0.00 O ATOM 0 H SER A 90 3.733 -1.180 11.799 1.00 0.00 H new ATOM 0 HA SER A 90 1.567 -1.338 10.128 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.603 0.904 10.365 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.017 1.061 9.636 1.00 0.00 H new ATOM 0 HG SER A 90 2.033 1.736 11.857 1.00 0.00 H new ATOM 1407 N THR A 91 4.395 -0.966 8.457 1.00 0.00 N ATOM 1408 CA THR A 91 5.017 -1.133 7.154 1.00 0.00 C ATOM 1409 C THR A 91 4.437 -2.355 6.440 1.00 0.00 C ATOM 1410 O THR A 91 3.716 -2.218 5.452 1.00 0.00 O ATOM 1411 CB THR A 91 6.531 -1.211 7.359 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.831 -0.075 8.166 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.310 -0.965 6.066 1.00 0.00 C ATOM 0 H THR A 91 5.030 -0.670 9.198 1.00 0.00 H new ATOM 0 HA THR A 91 4.806 -0.284 6.503 1.00 0.00 H new ATOM 0 HB THR A 91 6.793 -2.190 7.760 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.864 -0.342 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.379 -1.032 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.033 -1.715 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.074 0.028 5.682 1.00 0.00 H new ATOM 1421 N GLN A 92 4.773 -3.524 6.966 1.00 0.00 N ATOM 1422 CA GLN A 92 4.295 -4.769 6.391 1.00 0.00 C ATOM 1423 C GLN A 92 2.824 -4.639 5.991 1.00 0.00 C ATOM 1424 O GLN A 92 2.475 -4.823 4.826 1.00 0.00 O ATOM 1425 CB GLN A 92 4.498 -5.935 7.361 1.00 0.00 C ATOM 1426 CG GLN A 92 5.892 -6.544 7.201 1.00 0.00 C ATOM 1427 CD GLN A 92 5.934 -7.516 6.020 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.455 -8.636 6.088 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.531 -7.027 4.938 1.00 0.00 N ATOM 0 H GLN A 92 5.371 -3.635 7.785 1.00 0.00 H new ATOM 0 HA GLN A 92 4.878 -4.979 5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.364 -5.588 8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.741 -6.698 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.624 -5.751 7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.172 -7.066 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.911 -6.080 4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.610 -7.598 4.097 1.00 0.00 H new ATOM 1438 N ARG A 93 2.001 -4.322 6.980 1.00 0.00 N ATOM 1439 CA ARG A 93 0.575 -4.166 6.746 1.00 0.00 C ATOM 1440 C ARG A 93 0.333 -3.351 5.473 1.00 0.00 C ATOM 1441 O ARG A 93 -0.294 -3.836 4.532 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.103 -3.468 7.926 1.00 0.00 C ATOM 1443 CG ARG A 93 0.181 -4.205 9.236 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.009 -4.103 10.193 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.693 -3.168 11.296 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.428 -3.044 12.409 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -2.526 -3.793 12.574 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.065 -2.169 13.357 1.00 0.00 N ATOM 0 H ARG A 93 2.294 -4.169 7.945 1.00 0.00 H new ATOM 0 HA ARG A 93 0.146 -5.162 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.253 -2.440 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.179 -3.422 7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.396 -5.253 9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.069 -3.785 9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.891 -3.758 9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.247 -5.087 10.596 1.00 0.00 H new ATOM 0 HE ARG A 93 0.136 -2.581 11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.803 -4.458 11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.085 -3.698 13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.229 -1.598 13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.624 -2.074 14.205 1.00 0.00 H new ATOM 1462 N TRP A 94 0.842 -2.128 5.485 1.00 0.00 N ATOM 1463 CA TRP A 94 0.689 -1.243 4.344 1.00 0.00 C ATOM 1464 C TRP A 94 1.148 -1.997 3.095 1.00 0.00 C ATOM 1465 O TRP A 94 0.382 -2.160 2.147 1.00 0.00 O ATOM 1466 CB TRP A 94 1.446 0.069 4.562 1.00 0.00 C ATOM 1467 CG TRP A 94 0.700 1.081 5.434 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.943 1.407 6.711 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.427 1.890 5.038 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.058 2.364 7.165 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.801 2.667 6.116 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.108 1.964 3.810 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.868 3.573 6.074 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.172 2.874 3.785 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.561 3.663 4.861 1.00 0.00 C ATOM 0 H TRP A 94 1.361 -1.729 6.267 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.355 -0.959 4.215 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.409 -0.151 5.022 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.652 0.523 3.593 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.732 0.975 7.309 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.038 2.773 8.099 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.832 1.366 2.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.142 4.170 6.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.730 2.969 2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.394 4.343 4.762 1.00 0.00 H new ATOM 1486 N ILE A 95 2.397 -2.438 3.134 1.00 0.00 N ATOM 1487 CA ILE A 95 2.968 -3.171 2.017 1.00 0.00 C ATOM 1488 C ILE A 95 1.929 -4.156 1.476 1.00 0.00 C ATOM 1489 O ILE A 95 1.450 -4.004 0.354 1.00 0.00 O ATOM 1490 CB ILE A 95 4.286 -3.831 2.426 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.383 -2.784 2.630 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.699 -4.905 1.417 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.413 -3.261 3.657 1.00 0.00 C ATOM 0 H ILE A 95 3.030 -2.302 3.922 1.00 0.00 H new ATOM 0 HA ILE A 95 3.219 -2.491 1.203 1.00 0.00 H new ATOM 0 HB ILE A 95 4.135 -4.330 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.878 -2.581 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.938 -1.847 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.639 -5.358 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.926 -5.672 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.826 -4.451 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.181 -2.498 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.919 -3.440 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.873 -4.185 3.308 1.00 0.00 H new ATOM 1505 N ASP A 96 1.613 -5.145 2.299 1.00 0.00 N ATOM 1506 CA ASP A 96 0.640 -6.155 1.917 1.00 0.00 C ATOM 1507 C ASP A 96 -0.652 -5.468 1.470 1.00 0.00 C ATOM 1508 O ASP A 96 -1.256 -5.864 0.474 1.00 0.00 O ATOM 1509 CB ASP A 96 0.306 -7.071 3.096 1.00 0.00 C ATOM 1510 CG ASP A 96 0.392 -8.569 2.796 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.404 -8.906 1.592 1.00 0.00 O ATOM 1512 OD2 ASP A 96 0.445 -9.342 3.776 1.00 0.00 O ATOM 0 H ASP A 96 2.013 -5.269 3.229 1.00 0.00 H new ATOM 0 HA ASP A 96 1.068 -6.749 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.983 -6.841 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.703 -6.842 3.440 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.037 -4.452 2.228 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.247 -3.707 1.922 1.00 0.00 C ATOM 1519 C ALA A 97 -2.177 -3.198 0.481 1.00 0.00 C ATOM 1520 O ALA A 97 -3.157 -3.276 -0.257 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.417 -2.572 2.934 1.00 0.00 C ATOM 0 H ALA A 97 -0.533 -4.127 3.053 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.124 -4.349 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.324 -2.013 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.491 -2.988 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.557 -1.905 2.880 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.007 -2.689 0.123 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.796 -2.167 -1.216 1.00 0.00 C ATOM 1529 C PHE A 98 -0.628 -3.304 -2.227 1.00 0.00 C ATOM 1530 O PHE A 98 -1.050 -3.184 -3.376 1.00 0.00 O ATOM 1531 CB PHE A 98 0.492 -1.342 -1.177 1.00 0.00 C ATOM 1532 CG PHE A 98 0.266 0.153 -0.943 1.00 0.00 C ATOM 1533 CD1 PHE A 98 0.040 0.980 -2.000 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.292 0.656 0.320 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.169 2.367 -1.783 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.082 2.043 0.537 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.144 2.870 -0.519 1.00 0.00 C ATOM 0 H PHE A 98 -0.195 -2.627 0.738 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.654 -1.568 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.136 -1.730 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.026 -1.476 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.020 0.581 -3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.473 -0.000 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.348 3.024 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.102 2.442 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.304 3.925 -0.354 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.012 -4.380 -1.762 1.00 0.00 N ATOM 1548 CA GLN A 99 0.216 -5.537 -2.611 1.00 0.00 C ATOM 1549 C GLN A 99 -1.114 -6.201 -2.973 1.00 0.00 C ATOM 1550 O GLN A 99 -1.449 -6.327 -4.150 1.00 0.00 O ATOM 1551 CB GLN A 99 1.161 -6.534 -1.938 1.00 0.00 C ATOM 1552 CG GLN A 99 2.599 -6.342 -2.424 1.00 0.00 C ATOM 1553 CD GLN A 99 2.729 -6.701 -3.906 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.040 -7.564 -4.425 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.648 -5.992 -4.556 1.00 0.00 N ATOM 0 H GLN A 99 0.336 -4.475 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 99 0.693 -5.199 -3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.119 -6.407 -0.856 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.834 -7.552 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.904 -5.307 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.272 -6.965 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.190 -5.284 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.810 -6.156 -5.550 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.836 -6.607 -1.939 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.123 -7.255 -2.133 1.00 0.00 C ATOM 1566 C GLU A 100 -4.020 -6.395 -3.025 1.00 0.00 C ATOM 1567 O GLU A 100 -4.938 -6.907 -3.665 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.799 -7.544 -0.791 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.230 -8.813 -0.153 1.00 0.00 C ATOM 1570 CD GLU A 100 -3.541 -8.860 1.344 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -4.740 -8.985 1.671 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -2.571 -8.771 2.128 1.00 0.00 O ATOM 0 H GLU A 100 -1.555 -6.500 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.956 -8.210 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.656 -6.699 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.873 -7.656 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.651 -9.691 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.151 -8.849 -0.305 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.725 -5.104 -3.038 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.494 -4.168 -3.841 1.00 0.00 C ATOM 1581 C GLY A 101 -4.123 -4.282 -5.321 1.00 0.00 C ATOM 1582 O GLY A 101 -4.997 -4.422 -6.175 1.00 0.00 O ATOM 0 H GLY A 101 -2.964 -4.683 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.559 -4.363 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.312 -3.151 -3.494 1.00 0.00 H new ATOM 1586 N THR A 102 -2.825 -4.216 -5.579 1.00 0.00 N ATOM 1587 CA THR A 102 -2.327 -4.309 -6.941 1.00 0.00 C ATOM 1588 C THR A 102 -2.674 -5.672 -7.543 1.00 0.00 C ATOM 1589 O THR A 102 -2.883 -5.787 -8.750 1.00 0.00 O ATOM 1590 CB THR A 102 -0.825 -4.021 -6.916 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.337 -4.814 -5.837 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.511 -2.584 -6.494 1.00 0.00 C ATOM 0 H THR A 102 -2.103 -4.099 -4.868 1.00 0.00 H new ATOM 0 HA THR A 102 -2.803 -3.572 -7.588 1.00 0.00 H new ATOM 0 HB THR A 102 -0.403 -4.210 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.006 -5.489 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.568 -2.433 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.974 -1.890 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.903 -2.405 -5.493 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.724 -6.672 -6.675 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.042 -8.022 -7.106 1.00 0.00 C ATOM 1602 C VAL A 103 -4.531 -8.290 -6.874 1.00 0.00 C ATOM 1603 O VAL A 103 -5.301 -7.363 -6.627 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.136 -9.027 -6.392 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.664 -8.768 -6.721 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.373 -9.001 -4.880 1.00 0.00 C ATOM 0 H VAL A 103 -2.549 -6.574 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.853 -8.136 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.390 -10.023 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.041 -9.496 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.510 -8.861 -7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.391 -7.763 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.717 -9.724 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.160 -8.004 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.412 -9.256 -4.670 1.00 0.00 H new ATOM 1616 N SER A 104 -4.892 -9.562 -6.962 1.00 0.00 N ATOM 1617 CA SER A 104 -6.274 -9.963 -6.765 1.00 0.00 C ATOM 1618 C SER A 104 -6.331 -11.381 -6.194 1.00 0.00 C ATOM 1619 O SER A 104 -6.241 -12.358 -6.937 1.00 0.00 O ATOM 1620 CB SER A 104 -7.062 -9.886 -8.074 1.00 0.00 C ATOM 1621 OG SER A 104 -7.559 -8.573 -8.321 1.00 0.00 O ATOM 0 H SER A 104 -4.251 -10.328 -7.167 1.00 0.00 H new ATOM 0 HA SER A 104 -6.732 -9.274 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.422 -10.193 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.895 -10.588 -8.038 1.00 0.00 H new ATOM 0 HG SER A 104 -6.991 -7.917 -7.865 1.00 0.00 H new ATOM 1627 N GLY A 105 -6.480 -11.450 -4.879 1.00 0.00 N ATOM 1628 CA GLY A 105 -6.550 -12.733 -4.200 1.00 0.00 C ATOM 1629 C GLY A 105 -7.820 -13.492 -4.592 1.00 0.00 C ATOM 1630 O GLY A 105 -8.800 -12.888 -5.024 1.00 0.00 O ATOM 0 H GLY A 105 -6.554 -10.638 -4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.673 -13.330 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.532 -12.579 -3.121 1.00 0.00 H new ATOM 1634 N PRO A 106 -7.759 -14.840 -4.422 1.00 0.00 N ATOM 1635 CA PRO A 106 -8.891 -15.688 -4.753 1.00 0.00 C ATOM 1636 C PRO A 106 -9.991 -15.571 -3.697 1.00 0.00 C ATOM 1637 O PRO A 106 -10.409 -16.571 -3.116 1.00 0.00 O ATOM 1638 CB PRO A 106 -8.315 -17.091 -4.857 1.00 0.00 C ATOM 1639 CG PRO A 106 -6.981 -17.049 -4.129 1.00 0.00 C ATOM 1640 CD PRO A 106 -6.614 -15.590 -3.913 1.00 0.00 C ATOM 0 HA PRO A 106 -9.373 -15.399 -5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.984 -17.822 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.182 -17.383 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.050 -17.571 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.211 -17.554 -4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.439 -15.378 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.700 -15.328 -4.447 1.00 0.00 H new ATOM 1648 N SER A 107 -10.430 -14.339 -3.479 1.00 0.00 N ATOM 1649 CA SER A 107 -11.473 -14.078 -2.503 1.00 0.00 C ATOM 1650 C SER A 107 -12.770 -13.686 -3.215 1.00 0.00 C ATOM 1651 O SER A 107 -12.826 -12.659 -3.889 1.00 0.00 O ATOM 1652 CB SER A 107 -11.051 -12.978 -1.526 1.00 0.00 C ATOM 1653 OG SER A 107 -9.849 -13.310 -0.836 1.00 0.00 O ATOM 0 H SER A 107 -10.082 -13.511 -3.962 1.00 0.00 H new ATOM 0 HA SER A 107 -11.641 -14.990 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.911 -12.044 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.849 -12.809 -0.803 1.00 0.00 H new ATOM 0 HG SER A 107 -9.612 -12.583 -0.223 1.00 0.00 H new ATOM 1659 N SER A 108 -13.780 -14.526 -3.041 1.00 0.00 N ATOM 1660 CA SER A 108 -15.072 -14.280 -3.658 1.00 0.00 C ATOM 1661 C SER A 108 -16.154 -14.172 -2.582 1.00 0.00 C ATOM 1662 O SER A 108 -16.847 -13.159 -2.493 1.00 0.00 O ATOM 1663 CB SER A 108 -15.425 -15.385 -4.655 1.00 0.00 C ATOM 1664 OG SER A 108 -16.811 -15.383 -4.987 1.00 0.00 O ATOM 0 H SER A 108 -13.729 -15.377 -2.482 1.00 0.00 H new ATOM 0 HA SER A 108 -15.016 -13.338 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.835 -15.256 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.155 -16.353 -4.234 1.00 0.00 H new ATOM 0 HG SER A 108 -16.995 -16.102 -5.627 1.00 0.00 H new ATOM 1670 N GLY A 109 -16.266 -15.229 -1.791 1.00 0.00 N ATOM 1671 CA GLY A 109 -17.252 -15.265 -0.724 1.00 0.00 C ATOM 1672 C GLY A 109 -16.684 -15.942 0.524 1.00 0.00 C ATOM 1673 O GLY A 109 -16.038 -15.295 1.347 1.00 0.00 O ATOM 0 H GLY A 109 -15.690 -16.067 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -17.567 -14.250 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -18.139 -15.801 -1.061 1.00 0.00 H new TER 1677 GLY A 109