USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1112 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 132 THR OG1 : rot 180:sc= 1.06 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 168:sc= 1.16 (180deg=-0.176) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.092) USER MOD Set 2.2: A 117 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 16 TYR OH : rot 29:sc= 0.0161 USER MOD Set 3.2: A 20 GLN : amide:sc= -0.201 X(o=2,f=1.6) USER MOD Set 3.3: A 52 GLN : amide:sc= 0.987 K(o=2,f=-10!) USER MOD Set 3.4: A 107 LYS NZ :NH3+ -135:sc= 1.17 (180deg=0) USER MOD Set 4.1: A 54 ASN :FLIP amide:sc= -0.843 F(o=-2.7!,f=-1.6) USER MOD Set 4.2: A 55 HIS :FLIP no HD1:sc= -0.75 F(o=-4.4,f=-1.6) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0316 K(o=-0.032,f=-0.86) USER MOD Single : A 9 SER OG : rot -78:sc= 0.377 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -144:sc= 0.0676 USER MOD Single : A 37 SER OG : rot 108:sc= 0.0124 USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -1.07 (180deg=-1.67) USER MOD Single : A 43 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.725 X(o=-0.73,f=-0.47) USER MOD Single : A 62 MET CE :methyl -161:sc= -0.141 (180deg=-0.705) USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.25) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -0.0709 (180deg=-0.425) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.367 F(o=-2.8!,f=-0.37) USER MOD Single : A 75 LYS NZ :NH3+ -126:sc= 0.323 (180deg=0.12) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 161:sc= -0.0712 (180deg=-1.75) USER MOD Single : A 83 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.035) USER MOD Single : A 97 THR OG1 : rot 64:sc= 1.04 USER MOD Single : A 100 SER OG : rot 74:sc= 0.961 USER MOD Single : A 108 HIS : no HE2:sc= -0.119 K(o=-0.12,f=-3.1!) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.12) USER MOD Single : A 111 THR OG1 : rot 71:sc= 0.306 USER MOD Single : A 113 ASN : amide:sc=-0.00324 X(o=-0.0032,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0833 USER MOD Single : A 124 SER OG : rot -44:sc= 1.11 USER MOD Single : A 126 THR OG1 : rot 77:sc= -0.35 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.015) USER MOD Single : A 151 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 3.378 -3.180 -5.542 1.00 50.15 N ATOM 36 CA ASP A 3 4.066 -3.471 -6.801 1.00 65.05 C ATOM 37 C ASP A 3 3.120 -4.188 -7.785 1.00 43.22 C ATOM 38 O ASP A 3 2.140 -4.817 -7.374 1.00 25.53 O ATOM 39 CB ASP A 3 5.305 -4.336 -6.526 1.00 72.45 C ATOM 40 CG ASP A 3 6.188 -4.497 -7.753 1.00 15.34 C ATOM 41 OD1 ASP A 3 5.929 -5.406 -8.565 1.00 50.34 O ATOM 42 OD2 ASP A 3 7.140 -3.704 -7.914 1.00 31.43 O ATOM 0 HA ASP A 3 4.380 -2.531 -7.255 1.00 65.05 H new ATOM 0 HB2 ASP A 3 5.886 -3.887 -5.721 1.00 72.45 H new ATOM 0 HB3 ASP A 3 4.988 -5.319 -6.179 1.00 72.45 H new ATOM 47 N GLU A 4 3.420 -4.090 -9.081 1.00 20.42 N ATOM 48 CA GLU A 4 2.627 -4.758 -10.123 1.00 31.22 C ATOM 49 C GLU A 4 2.523 -6.268 -9.863 1.00 42.32 C ATOM 50 O GLU A 4 1.454 -6.866 -10.019 1.00 30.40 O ATOM 51 CB GLU A 4 3.252 -4.498 -11.499 1.00 15.10 C ATOM 52 CG GLU A 4 2.466 -5.100 -12.660 1.00 41.50 C ATOM 53 CD GLU A 4 3.021 -4.687 -14.014 1.00 44.21 C ATOM 54 OE1 GLU A 4 2.742 -3.550 -14.450 1.00 42.33 O ATOM 55 OE2 GLU A 4 3.738 -5.490 -14.649 1.00 41.04 O ATOM 0 H GLU A 4 4.210 -3.553 -9.439 1.00 20.42 H new ATOM 0 HA GLU A 4 1.618 -4.346 -10.101 1.00 31.22 H new ATOM 0 HB2 GLU A 4 3.338 -3.422 -11.651 1.00 15.10 H new ATOM 0 HB3 GLU A 4 4.264 -4.903 -11.510 1.00 15.10 H new ATOM 0 HG2 GLU A 4 2.482 -6.187 -12.581 1.00 41.50 H new ATOM 0 HG3 GLU A 4 1.423 -4.790 -12.588 1.00 41.50 H new ATOM 62 N LEU A 5 3.637 -6.868 -9.450 1.00 23.20 N ATOM 63 CA LEU A 5 3.675 -8.282 -9.072 1.00 34.33 C ATOM 64 C LEU A 5 2.646 -8.583 -7.971 1.00 24.41 C ATOM 65 O LEU A 5 1.892 -9.553 -8.057 1.00 11.03 O ATOM 66 CB LEU A 5 5.086 -8.653 -8.592 1.00 20.33 C ATOM 67 CG LEU A 5 5.267 -10.099 -8.100 1.00 33.21 C ATOM 68 CD1 LEU A 5 4.970 -11.098 -9.216 1.00 3.24 C ATOM 69 CD2 LEU A 5 6.677 -10.303 -7.548 1.00 40.43 C ATOM 0 H LEU A 5 4.535 -6.392 -9.368 1.00 23.20 H new ATOM 0 HA LEU A 5 3.422 -8.881 -9.946 1.00 34.33 H new ATOM 0 HB2 LEU A 5 5.785 -8.477 -9.409 1.00 20.33 H new ATOM 0 HB3 LEU A 5 5.364 -7.977 -7.784 1.00 20.33 H new ATOM 0 HG LEU A 5 4.554 -10.277 -7.295 1.00 33.21 H new ATOM 0 HD11 LEU A 5 5.105 -12.113 -8.842 1.00 3.24 H new ATOM 0 HD12 LEU A 5 3.942 -10.970 -9.554 1.00 3.24 H new ATOM 0 HD13 LEU A 5 5.650 -10.925 -10.050 1.00 3.24 H new ATOM 0 HD21 LEU A 5 6.788 -11.331 -7.204 1.00 40.43 H new ATOM 0 HD22 LEU A 5 7.407 -10.102 -8.332 1.00 40.43 H new ATOM 0 HD23 LEU A 5 6.843 -9.622 -6.714 1.00 40.43 H new ATOM 81 N TYR A 6 2.619 -7.733 -6.943 1.00 14.12 N ATOM 82 CA TYR A 6 1.649 -7.864 -5.847 1.00 3.52 C ATOM 83 C TYR A 6 0.210 -7.701 -6.366 1.00 13.33 C ATOM 84 O TYR A 6 -0.688 -8.445 -5.984 1.00 70.22 O ATOM 85 CB TYR A 6 1.945 -6.817 -4.756 1.00 1.00 C ATOM 86 CG TYR A 6 0.964 -6.824 -3.589 1.00 51.22 C ATOM 87 CD1 TYR A 6 1.182 -7.622 -2.470 1.00 23.13 C ATOM 88 CD2 TYR A 6 -0.176 -6.024 -3.606 1.00 73.00 C ATOM 89 CE1 TYR A 6 0.294 -7.622 -1.407 1.00 22.33 C ATOM 90 CE2 TYR A 6 -1.066 -6.021 -2.549 1.00 14.21 C ATOM 91 CZ TYR A 6 -0.828 -6.820 -1.453 1.00 65.11 C ATOM 92 OH TYR A 6 -1.715 -6.813 -0.397 1.00 70.50 O ATOM 0 H TYR A 6 3.258 -6.944 -6.844 1.00 14.12 H new ATOM 0 HA TYR A 6 1.744 -8.862 -5.419 1.00 3.52 H new ATOM 0 HB2 TYR A 6 2.950 -6.987 -4.370 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.942 -5.826 -5.211 1.00 1.00 H new ATOM 0 HD1 TYR A 6 2.058 -8.252 -2.430 1.00 23.13 H new ATOM 0 HD2 TYR A 6 -0.368 -5.394 -4.462 1.00 73.00 H new ATOM 0 HE1 TYR A 6 0.479 -8.247 -0.546 1.00 22.33 H new ATOM 0 HE2 TYR A 6 -1.945 -5.394 -2.582 1.00 14.21 H new ATOM 0 HH TYR A 6 -2.449 -6.193 -0.590 1.00 70.50 H new ATOM 102 N ARG A 7 0.003 -6.716 -7.236 1.00 11.11 N ATOM 103 CA ARG A 7 -1.309 -6.472 -7.851 1.00 31.12 C ATOM 104 C ARG A 7 -1.828 -7.698 -8.632 1.00 13.30 C ATOM 105 O ARG A 7 -3.003 -8.054 -8.529 1.00 52.11 O ATOM 106 CB ARG A 7 -1.232 -5.242 -8.779 1.00 11.22 C ATOM 107 CG ARG A 7 -2.015 -4.028 -8.279 1.00 0.04 C ATOM 108 CD ARG A 7 -1.639 -3.640 -6.850 1.00 13.25 C ATOM 109 NE ARG A 7 -2.297 -2.402 -6.433 1.00 35.51 N ATOM 110 CZ ARG A 7 -3.187 -2.318 -5.476 1.00 33.04 C ATOM 111 NH1 ARG A 7 -3.540 -3.367 -4.801 1.00 2.02 N ATOM 112 NH2 ARG A 7 -3.724 -1.179 -5.185 1.00 34.11 N ATOM 0 H ARG A 7 0.730 -6.067 -7.536 1.00 11.11 H new ATOM 0 HA ARG A 7 -2.018 -6.281 -7.045 1.00 31.12 H new ATOM 0 HB2 ARG A 7 -0.187 -4.960 -8.903 1.00 11.22 H new ATOM 0 HB3 ARG A 7 -1.606 -5.521 -9.764 1.00 11.22 H new ATOM 0 HG2 ARG A 7 -1.832 -3.183 -8.942 1.00 0.04 H new ATOM 0 HG3 ARG A 7 -3.082 -4.244 -8.325 1.00 0.04 H new ATOM 0 HD2 ARG A 7 -1.915 -4.446 -6.170 1.00 13.25 H new ATOM 0 HD3 ARG A 7 -0.558 -3.519 -6.778 1.00 13.25 H new ATOM 0 HE ARG A 7 -2.045 -1.543 -6.922 1.00 35.51 H new ATOM 0 HH11 ARG A 7 -3.123 -4.274 -5.012 1.00 2.02 H new ATOM 0 HH12 ARG A 7 -4.235 -3.286 -4.058 1.00 2.02 H new ATOM 0 HH21 ARG A 7 -3.455 -0.342 -5.701 1.00 34.11 H new ATOM 0 HH22 ARG A 7 -4.417 -1.118 -4.439 1.00 34.11 H new ATOM 126 N GLN A 8 -0.959 -8.326 -9.421 1.00 40.40 N ATOM 127 CA GLN A 8 -1.351 -9.497 -10.217 1.00 22.10 C ATOM 128 C GLN A 8 -1.540 -10.745 -9.338 1.00 4.20 C ATOM 129 O GLN A 8 -2.522 -11.474 -9.487 1.00 61.34 O ATOM 130 CB GLN A 8 -0.315 -9.766 -11.320 1.00 22.44 C ATOM 131 CG GLN A 8 -0.596 -11.024 -12.141 1.00 1.24 C ATOM 132 CD GLN A 8 0.295 -11.144 -13.366 1.00 31.44 C ATOM 133 OE1 GLN A 8 0.687 -10.149 -13.961 1.00 61.12 O ATOM 134 NE2 GLN A 8 0.620 -12.363 -13.752 1.00 30.12 N ATOM 0 H GLN A 8 0.017 -8.049 -9.529 1.00 40.40 H new ATOM 0 HA GLN A 8 -2.312 -9.275 -10.682 1.00 22.10 H new ATOM 0 HB2 GLN A 8 -0.281 -8.907 -11.990 1.00 22.44 H new ATOM 0 HB3 GLN A 8 0.671 -9.854 -10.865 1.00 22.44 H new ATOM 0 HG2 GLN A 8 -0.457 -11.902 -11.510 1.00 1.24 H new ATOM 0 HG3 GLN A 8 -1.639 -11.020 -12.456 1.00 1.24 H new ATOM 0 HE21 GLN A 8 0.276 -13.171 -13.233 1.00 30.12 H new ATOM 0 HE22 GLN A 8 1.215 -12.497 -14.569 1.00 30.12 H new ATOM 143 N SER A 9 -0.604 -10.982 -8.421 1.00 54.40 N ATOM 144 CA SER A 9 -0.692 -12.125 -7.496 1.00 62.22 C ATOM 145 C SER A 9 -1.949 -12.034 -6.622 1.00 35.14 C ATOM 146 O SER A 9 -2.747 -12.973 -6.567 1.00 23.52 O ATOM 147 CB SER A 9 0.560 -12.198 -6.611 1.00 62.24 C ATOM 148 OG SER A 9 0.797 -10.968 -5.950 1.00 53.43 O ATOM 0 H SER A 9 0.226 -10.402 -8.294 1.00 54.40 H new ATOM 0 HA SER A 9 -0.756 -13.034 -8.094 1.00 62.22 H new ATOM 0 HB2 SER A 9 0.441 -12.992 -5.874 1.00 62.24 H new ATOM 0 HB3 SER A 9 1.425 -12.457 -7.222 1.00 62.24 H new ATOM 0 HG SER A 9 1.199 -10.332 -6.577 1.00 53.43 H new ATOM 154 N LEU A 10 -2.125 -10.893 -5.954 1.00 31.41 N ATOM 155 CA LEU A 10 -3.325 -10.635 -5.148 1.00 31.02 C ATOM 156 C LEU A 10 -4.609 -10.819 -5.972 1.00 14.43 C ATOM 157 O LEU A 10 -5.590 -11.372 -5.485 1.00 14.20 O ATOM 158 CB LEU A 10 -3.283 -9.214 -4.567 1.00 33.31 C ATOM 159 CG LEU A 10 -4.494 -8.815 -3.706 1.00 4.33 C ATOM 160 CD1 LEU A 10 -4.601 -9.707 -2.470 1.00 54.23 C ATOM 161 CD2 LEU A 10 -4.409 -7.341 -3.313 1.00 15.43 C ATOM 0 H LEU A 10 -1.450 -10.128 -5.954 1.00 31.41 H new ATOM 0 HA LEU A 10 -3.335 -11.360 -4.334 1.00 31.02 H new ATOM 0 HB2 LEU A 10 -2.381 -9.113 -3.963 1.00 33.31 H new ATOM 0 HB3 LEU A 10 -3.196 -8.506 -5.391 1.00 33.31 H new ATOM 0 HG LEU A 10 -5.398 -8.957 -4.298 1.00 4.33 H new ATOM 0 HD11 LEU A 10 -5.465 -9.405 -1.877 1.00 54.23 H new ATOM 0 HD12 LEU A 10 -4.718 -10.745 -2.780 1.00 54.23 H new ATOM 0 HD13 LEU A 10 -3.696 -9.607 -1.870 1.00 54.23 H new ATOM 0 HD21 LEU A 10 -5.274 -7.076 -2.704 1.00 15.43 H new ATOM 0 HD22 LEU A 10 -3.497 -7.169 -2.742 1.00 15.43 H new ATOM 0 HD23 LEU A 10 -4.396 -6.725 -4.212 1.00 15.43 H new ATOM 173 N GLU A 11 -4.591 -10.353 -7.220 1.00 32.23 N ATOM 174 CA GLU A 11 -5.742 -10.498 -8.123 1.00 32.03 C ATOM 175 C GLU A 11 -6.133 -11.976 -8.298 1.00 1.32 C ATOM 176 O GLU A 11 -7.293 -12.356 -8.111 1.00 1.50 O ATOM 177 CB GLU A 11 -5.401 -9.893 -9.493 1.00 43.40 C ATOM 178 CG GLU A 11 -6.537 -9.948 -10.510 1.00 65.01 C ATOM 179 CD GLU A 11 -7.661 -8.980 -10.188 1.00 2.13 C ATOM 180 OE1 GLU A 11 -7.474 -7.765 -10.394 1.00 23.43 O ATOM 181 OE2 GLU A 11 -8.738 -9.427 -9.746 1.00 53.52 O ATOM 0 H GLU A 11 -3.793 -9.871 -7.633 1.00 32.23 H new ATOM 0 HA GLU A 11 -6.588 -9.971 -7.682 1.00 32.03 H new ATOM 0 HB2 GLU A 11 -5.105 -8.853 -9.353 1.00 43.40 H new ATOM 0 HB3 GLU A 11 -4.538 -10.417 -9.903 1.00 43.40 H new ATOM 0 HG2 GLU A 11 -6.143 -9.723 -11.501 1.00 65.01 H new ATOM 0 HG3 GLU A 11 -6.936 -10.962 -10.548 1.00 65.01 H new ATOM 188 N ILE A 12 -5.148 -12.805 -8.640 1.00 4.21 N ATOM 189 CA ILE A 12 -5.377 -14.234 -8.875 1.00 50.04 C ATOM 190 C ILE A 12 -5.841 -14.946 -7.592 1.00 12.43 C ATOM 191 O ILE A 12 -6.844 -15.663 -7.591 1.00 12.51 O ATOM 192 CB ILE A 12 -4.096 -14.925 -9.411 1.00 74.11 C ATOM 193 CG1 ILE A 12 -3.584 -14.202 -10.669 1.00 43.44 C ATOM 194 CG2 ILE A 12 -4.365 -16.401 -9.712 1.00 74.11 C ATOM 195 CD1 ILE A 12 -2.302 -14.777 -11.233 1.00 52.30 C ATOM 0 H ILE A 12 -4.179 -12.512 -8.762 1.00 4.21 H new ATOM 0 HA ILE A 12 -6.164 -14.311 -9.625 1.00 50.04 H new ATOM 0 HB ILE A 12 -3.326 -14.868 -8.641 1.00 74.11 H new ATOM 0 HG12 ILE A 12 -4.356 -14.241 -11.437 1.00 43.44 H new ATOM 0 HG13 ILE A 12 -3.424 -13.150 -10.431 1.00 43.44 H new ATOM 0 HG21 ILE A 12 -3.454 -16.868 -10.087 1.00 74.11 H new ATOM 0 HG22 ILE A 12 -4.683 -16.906 -8.800 1.00 74.11 H new ATOM 0 HG23 ILE A 12 -5.150 -16.482 -10.464 1.00 74.11 H new ATOM 0 HD11 ILE A 12 -2.008 -14.212 -12.118 1.00 52.30 H new ATOM 0 HD12 ILE A 12 -1.514 -14.713 -10.483 1.00 52.30 H new ATOM 0 HD13 ILE A 12 -2.460 -15.821 -11.505 1.00 52.30 H new ATOM 207 N ILE A 13 -5.112 -14.725 -6.500 1.00 72.03 N ATOM 208 CA ILE A 13 -5.432 -15.341 -5.206 1.00 2.45 C ATOM 209 C ILE A 13 -6.813 -14.895 -4.690 1.00 40.12 C ATOM 210 O ILE A 13 -7.627 -15.721 -4.274 1.00 43.14 O ATOM 211 CB ILE A 13 -4.347 -15.005 -4.150 1.00 1.33 C ATOM 212 CG1 ILE A 13 -2.981 -15.548 -4.608 1.00 23.05 C ATOM 213 CG2 ILE A 13 -4.721 -15.576 -2.780 1.00 33.44 C ATOM 214 CD1 ILE A 13 -1.822 -15.152 -3.714 1.00 12.03 C ATOM 0 H ILE A 13 -4.290 -14.121 -6.482 1.00 72.03 H new ATOM 0 HA ILE A 13 -5.456 -16.419 -5.363 1.00 2.45 H new ATOM 0 HB ILE A 13 -4.282 -13.921 -4.054 1.00 1.33 H new ATOM 0 HG12 ILE A 13 -3.033 -16.636 -4.656 1.00 23.05 H new ATOM 0 HG13 ILE A 13 -2.782 -15.193 -5.619 1.00 23.05 H new ATOM 0 HG21 ILE A 13 -3.944 -15.327 -2.057 1.00 33.44 H new ATOM 0 HG22 ILE A 13 -5.670 -15.149 -2.455 1.00 33.44 H new ATOM 0 HG23 ILE A 13 -4.816 -16.660 -2.851 1.00 33.44 H new ATOM 0 HD11 ILE A 13 -0.898 -15.575 -4.108 1.00 12.03 H new ATOM 0 HD12 ILE A 13 -1.740 -14.065 -3.685 1.00 12.03 H new ATOM 0 HD13 ILE A 13 -1.994 -15.530 -2.706 1.00 12.03 H new ATOM 226 N SER A 14 -7.072 -13.587 -4.736 1.00 73.43 N ATOM 227 CA SER A 14 -8.352 -13.021 -4.270 1.00 52.04 C ATOM 228 C SER A 14 -9.548 -13.685 -4.960 1.00 11.55 C ATOM 229 O SER A 14 -10.444 -14.210 -4.297 1.00 60.14 O ATOM 230 CB SER A 14 -8.398 -11.504 -4.514 1.00 3.31 C ATOM 231 OG SER A 14 -9.655 -10.955 -4.147 1.00 15.25 O ATOM 0 H SER A 14 -6.414 -12.893 -5.091 1.00 73.43 H new ATOM 0 HA SER A 14 -8.418 -13.217 -3.200 1.00 52.04 H new ATOM 0 HB2 SER A 14 -7.607 -11.018 -3.942 1.00 3.31 H new ATOM 0 HB3 SER A 14 -8.203 -11.298 -5.566 1.00 3.31 H new ATOM 0 HG SER A 14 -9.651 -9.989 -4.313 1.00 15.25 H new ATOM 237 N ARG A 15 -9.547 -13.682 -6.294 1.00 55.32 N ATOM 238 CA ARG A 15 -10.644 -14.281 -7.063 1.00 73.25 C ATOM 239 C ARG A 15 -10.794 -15.775 -6.757 1.00 34.32 C ATOM 240 O ARG A 15 -11.902 -16.258 -6.531 1.00 3.22 O ATOM 241 CB ARG A 15 -10.431 -14.076 -8.565 1.00 45.43 C ATOM 242 CG ARG A 15 -10.422 -12.611 -8.984 1.00 54.20 C ATOM 243 CD ARG A 15 -10.361 -12.461 -10.497 1.00 34.32 C ATOM 244 NE ARG A 15 -11.510 -13.073 -11.163 1.00 50.54 N ATOM 245 CZ ARG A 15 -11.750 -12.991 -12.444 1.00 12.23 C ATOM 246 NH1 ARG A 15 -10.991 -12.284 -13.219 1.00 3.13 N ATOM 247 NH2 ARG A 15 -12.777 -13.599 -12.940 1.00 11.15 N ATOM 0 H ARG A 15 -8.805 -13.275 -6.863 1.00 55.32 H new ATOM 0 HA ARG A 15 -11.563 -13.777 -6.763 1.00 73.25 H new ATOM 0 HB2 ARG A 15 -9.486 -14.534 -8.856 1.00 45.43 H new ATOM 0 HB3 ARG A 15 -11.219 -14.597 -9.110 1.00 45.43 H new ATOM 0 HG2 ARG A 15 -11.317 -12.118 -8.605 1.00 54.20 H new ATOM 0 HG3 ARG A 15 -9.566 -12.108 -8.533 1.00 54.20 H new ATOM 0 HD2 ARG A 15 -10.317 -11.402 -10.753 1.00 34.32 H new ATOM 0 HD3 ARG A 15 -9.443 -12.917 -10.868 1.00 34.32 H new ATOM 0 HE ARG A 15 -12.168 -13.599 -10.588 1.00 50.54 H new ATOM 0 HH11 ARG A 15 -10.193 -11.781 -12.831 1.00 3.13 H new ATOM 0 HH12 ARG A 15 -11.191 -12.230 -14.218 1.00 3.13 H new ATOM 0 HH21 ARG A 15 -13.393 -14.138 -12.332 1.00 11.15 H new ATOM 0 HH22 ARG A 15 -12.971 -13.540 -13.940 1.00 11.15 H new ATOM 261 N TYR A 16 -9.672 -16.496 -6.738 1.00 45.13 N ATOM 262 CA TYR A 16 -9.677 -17.932 -6.440 1.00 71.10 C ATOM 263 C TYR A 16 -10.337 -18.225 -5.082 1.00 64.40 C ATOM 264 O TYR A 16 -11.196 -19.098 -4.973 1.00 43.42 O ATOM 265 CB TYR A 16 -8.246 -18.480 -6.462 1.00 22.03 C ATOM 266 CG TYR A 16 -8.164 -19.982 -6.258 1.00 1.11 C ATOM 267 CD1 TYR A 16 -8.597 -20.859 -7.248 1.00 1.21 C ATOM 268 CD2 TYR A 16 -7.657 -20.524 -5.081 1.00 41.14 C ATOM 269 CE1 TYR A 16 -8.527 -22.227 -7.068 1.00 32.02 C ATOM 270 CE2 TYR A 16 -7.584 -21.892 -4.898 1.00 25.34 C ATOM 271 CZ TYR A 16 -8.020 -22.738 -5.893 1.00 52.11 C ATOM 272 OH TYR A 16 -7.951 -24.101 -5.714 1.00 54.21 O ATOM 0 H TYR A 16 -8.747 -16.110 -6.925 1.00 45.13 H new ATOM 0 HA TYR A 16 -10.265 -18.431 -7.210 1.00 71.10 H new ATOM 0 HB2 TYR A 16 -7.784 -18.226 -7.416 1.00 22.03 H new ATOM 0 HB3 TYR A 16 -7.665 -17.984 -5.684 1.00 22.03 H new ATOM 0 HD1 TYR A 16 -8.994 -20.464 -8.171 1.00 1.21 H new ATOM 0 HD2 TYR A 16 -7.315 -19.865 -4.297 1.00 41.14 H new ATOM 0 HE1 TYR A 16 -8.869 -22.894 -7.846 1.00 32.02 H new ATOM 0 HE2 TYR A 16 -7.187 -22.296 -3.978 1.00 25.34 H new ATOM 0 HH TYR A 16 -7.844 -24.540 -6.584 1.00 54.21 H new ATOM 282 N LEU A 17 -9.934 -17.490 -4.050 1.00 73.44 N ATOM 283 CA LEU A 17 -10.541 -17.633 -2.723 1.00 14.15 C ATOM 284 C LEU A 17 -12.052 -17.343 -2.761 1.00 24.24 C ATOM 285 O LEU A 17 -12.843 -18.060 -2.145 1.00 30.23 O ATOM 286 CB LEU A 17 -9.842 -16.713 -1.706 1.00 71.05 C ATOM 287 CG LEU A 17 -8.622 -17.326 -0.986 1.00 35.41 C ATOM 288 CD1 LEU A 17 -7.561 -17.795 -1.980 1.00 72.12 C ATOM 289 CD2 LEU A 17 -8.024 -16.329 0.004 1.00 24.25 C ATOM 0 H LEU A 17 -9.193 -16.791 -4.102 1.00 73.44 H new ATOM 0 HA LEU A 17 -10.408 -18.668 -2.408 1.00 14.15 H new ATOM 0 HB2 LEU A 17 -9.521 -15.808 -2.222 1.00 71.05 H new ATOM 0 HB3 LEU A 17 -10.571 -16.410 -0.955 1.00 71.05 H new ATOM 0 HG LEU A 17 -8.970 -18.200 -0.435 1.00 35.41 H new ATOM 0 HD11 LEU A 17 -6.717 -18.221 -1.437 1.00 72.12 H new ATOM 0 HD12 LEU A 17 -7.988 -18.552 -2.638 1.00 72.12 H new ATOM 0 HD13 LEU A 17 -7.220 -16.948 -2.575 1.00 72.12 H new ATOM 0 HD21 LEU A 17 -7.165 -16.780 0.501 1.00 24.25 H new ATOM 0 HD22 LEU A 17 -7.705 -15.433 -0.529 1.00 24.25 H new ATOM 0 HD23 LEU A 17 -8.774 -16.061 0.748 1.00 24.25 H new ATOM 301 N ARG A 18 -12.449 -16.303 -3.498 1.00 73.41 N ATOM 302 CA ARG A 18 -13.867 -15.935 -3.618 1.00 3.03 C ATOM 303 C ARG A 18 -14.686 -17.042 -4.309 1.00 4.22 C ATOM 304 O ARG A 18 -15.673 -17.529 -3.756 1.00 12.44 O ATOM 305 CB ARG A 18 -14.023 -14.614 -4.390 1.00 0.35 C ATOM 306 CG ARG A 18 -13.345 -13.412 -3.730 1.00 1.02 C ATOM 307 CD ARG A 18 -13.883 -13.141 -2.328 1.00 44.34 C ATOM 308 NE ARG A 18 -15.328 -12.917 -2.322 1.00 14.02 N ATOM 309 CZ ARG A 18 -16.006 -12.510 -1.283 1.00 5.21 C ATOM 310 NH1 ARG A 18 -15.406 -12.237 -0.166 1.00 72.04 N ATOM 311 NH2 ARG A 18 -17.287 -12.370 -1.369 1.00 43.44 N ATOM 0 H ARG A 18 -11.813 -15.701 -4.020 1.00 73.41 H new ATOM 0 HA ARG A 18 -14.253 -15.807 -2.607 1.00 3.03 H new ATOM 0 HB2 ARG A 18 -13.613 -14.742 -5.392 1.00 0.35 H new ATOM 0 HB3 ARG A 18 -15.085 -14.398 -4.506 1.00 0.35 H new ATOM 0 HG2 ARG A 18 -12.271 -13.588 -3.677 1.00 1.02 H new ATOM 0 HG3 ARG A 18 -13.493 -12.528 -4.351 1.00 1.02 H new ATOM 0 HD2 ARG A 18 -13.646 -13.985 -1.681 1.00 44.34 H new ATOM 0 HD3 ARG A 18 -13.381 -12.268 -1.911 1.00 44.34 H new ATOM 0 HE ARG A 18 -15.840 -13.090 -3.187 1.00 14.02 H new ATOM 0 HH11 ARG A 18 -14.394 -12.339 -0.092 1.00 72.04 H new ATOM 0 HH12 ARG A 18 -15.946 -11.920 0.639 1.00 72.04 H new ATOM 0 HH21 ARG A 18 -17.765 -12.577 -2.246 1.00 43.44 H new ATOM 0 HH22 ARG A 18 -17.821 -12.052 -0.560 1.00 43.44 H new ATOM 325 N GLU A 19 -14.269 -17.442 -5.511 1.00 2.53 N ATOM 326 CA GLU A 19 -14.999 -18.460 -6.280 1.00 74.20 C ATOM 327 C GLU A 19 -15.053 -19.810 -5.544 1.00 21.22 C ATOM 328 O GLU A 19 -16.081 -20.491 -5.551 1.00 31.32 O ATOM 329 CB GLU A 19 -14.372 -18.654 -7.668 1.00 3.31 C ATOM 330 CG GLU A 19 -12.924 -19.125 -7.635 1.00 53.50 C ATOM 331 CD GLU A 19 -12.459 -19.694 -8.964 1.00 70.44 C ATOM 332 OE1 GLU A 19 -12.142 -18.911 -9.885 1.00 14.32 O ATOM 333 OE2 GLU A 19 -12.426 -20.935 -9.095 1.00 1.02 O ATOM 0 H GLU A 19 -13.435 -17.081 -5.974 1.00 2.53 H new ATOM 0 HA GLU A 19 -16.020 -18.095 -6.394 1.00 74.20 H new ATOM 0 HB2 GLU A 19 -14.966 -19.378 -8.225 1.00 3.31 H new ATOM 0 HB3 GLU A 19 -14.424 -17.712 -8.214 1.00 3.31 H new ATOM 0 HG2 GLU A 19 -12.281 -18.289 -7.358 1.00 53.50 H new ATOM 0 HG3 GLU A 19 -12.811 -19.884 -6.861 1.00 53.50 H new ATOM 340 N GLN A 20 -13.945 -20.203 -4.913 1.00 73.42 N ATOM 341 CA GLN A 20 -13.906 -21.449 -4.140 1.00 23.33 C ATOM 342 C GLN A 20 -14.736 -21.336 -2.848 1.00 4.14 C ATOM 343 O GLN A 20 -15.165 -22.343 -2.285 1.00 74.52 O ATOM 344 CB GLN A 20 -12.460 -21.844 -3.804 1.00 13.40 C ATOM 345 CG GLN A 20 -11.586 -22.160 -5.017 1.00 60.31 C ATOM 346 CD GLN A 20 -12.163 -23.251 -5.906 1.00 13.32 C ATOM 347 OE1 GLN A 20 -11.972 -24.437 -5.658 1.00 14.41 O ATOM 348 NE2 GLN A 20 -12.835 -22.868 -6.974 1.00 51.11 N ATOM 0 H GLN A 20 -13.068 -19.682 -4.921 1.00 73.42 H new ATOM 0 HA GLN A 20 -14.346 -22.229 -4.762 1.00 23.33 H new ATOM 0 HB2 GLN A 20 -11.998 -21.033 -3.242 1.00 13.40 H new ATOM 0 HB3 GLN A 20 -12.479 -22.716 -3.150 1.00 13.40 H new ATOM 0 HG2 GLN A 20 -11.453 -21.253 -5.607 1.00 60.31 H new ATOM 0 HG3 GLN A 20 -10.597 -22.465 -4.674 1.00 60.31 H new ATOM 0 HE21 GLN A 20 -12.980 -21.875 -7.157 1.00 51.11 H new ATOM 0 HE22 GLN A 20 -13.210 -23.565 -7.617 1.00 51.11 H new ATOM 357 N ALA A 21 -14.949 -20.105 -2.383 1.00 41.35 N ATOM 358 CA ALA A 21 -15.767 -19.852 -1.192 1.00 2.13 C ATOM 359 C ALA A 21 -17.269 -19.888 -1.511 1.00 4.32 C ATOM 360 O ALA A 21 -18.060 -20.458 -0.755 1.00 75.32 O ATOM 361 CB ALA A 21 -15.394 -18.511 -0.567 1.00 73.34 C ATOM 0 H ALA A 21 -14.566 -19.263 -2.813 1.00 41.35 H new ATOM 0 HA ALA A 21 -15.562 -20.650 -0.479 1.00 2.13 H new ATOM 0 HB1 ALA A 21 -16.009 -18.337 0.316 1.00 73.34 H new ATOM 0 HB2 ALA A 21 -14.343 -18.523 -0.280 1.00 73.34 H new ATOM 0 HB3 ALA A 21 -15.563 -17.713 -1.290 1.00 73.34 H new ATOM 367 N THR A 22 -17.661 -19.276 -2.627 1.00 55.24 N ATOM 368 CA THR A 22 -19.077 -19.221 -3.026 1.00 35.31 C ATOM 369 C THR A 22 -19.481 -20.449 -3.848 1.00 10.14 C ATOM 370 O THR A 22 -20.668 -20.735 -4.018 1.00 53.01 O ATOM 371 CB THR A 22 -19.382 -17.963 -3.875 1.00 54.01 C ATOM 372 OG1 THR A 22 -18.695 -18.047 -5.133 1.00 70.31 O ATOM 373 CG2 THR A 22 -18.960 -16.689 -3.149 1.00 33.14 C ATOM 0 H THR A 22 -17.024 -18.811 -3.274 1.00 55.24 H new ATOM 0 HA THR A 22 -19.648 -19.191 -2.098 1.00 35.31 H new ATOM 0 HB THR A 22 -20.458 -17.922 -4.042 1.00 54.01 H new ATOM 0 HG1 THR A 22 -18.892 -17.250 -5.667 1.00 70.31 H new ATOM 0 HG21 THR A 22 -19.187 -15.823 -3.771 1.00 33.14 H new ATOM 0 HG22 THR A 22 -19.502 -16.611 -2.206 1.00 33.14 H new ATOM 0 HG23 THR A 22 -17.889 -16.721 -2.950 1.00 33.14 H new ATOM 381 N GLY A 23 -18.488 -21.166 -4.365 1.00 53.21 N ATOM 382 CA GLY A 23 -18.755 -22.311 -5.225 1.00 74.11 C ATOM 383 C GLY A 23 -19.108 -21.901 -6.651 1.00 51.41 C ATOM 384 O GLY A 23 -19.494 -22.741 -7.468 1.00 11.21 O ATOM 0 H GLY A 23 -17.499 -20.976 -4.204 1.00 53.21 H new ATOM 0 HA2 GLY A 23 -17.879 -22.960 -5.243 1.00 74.11 H new ATOM 0 HA3 GLY A 23 -19.575 -22.894 -4.805 1.00 74.11 H new ATOM 541 N GLY A 34 -3.208 -10.371 -17.913 1.00 41.14 N ATOM 542 CA GLY A 34 -4.328 -10.837 -18.726 1.00 33.12 C ATOM 543 C GLY A 34 -4.316 -12.345 -18.956 1.00 13.22 C ATOM 544 O GLY A 34 -4.753 -13.112 -18.095 1.00 52.12 O ATOM 0 HA2 GLY A 34 -5.263 -10.557 -18.240 1.00 33.12 H new ATOM 0 HA3 GLY A 34 -4.305 -10.329 -19.690 1.00 33.12 H new ATOM 548 N ALA A 35 -3.794 -12.772 -20.109 1.00 12.43 N ATOM 549 CA ALA A 35 -3.787 -14.195 -20.484 1.00 31.44 C ATOM 550 C ALA A 35 -3.070 -15.067 -19.440 1.00 71.31 C ATOM 551 O ALA A 35 -3.608 -16.083 -18.990 1.00 42.02 O ATOM 552 CB ALA A 35 -3.144 -14.376 -21.857 1.00 73.44 C ATOM 0 H ALA A 35 -3.370 -12.155 -20.802 1.00 12.43 H new ATOM 0 HA ALA A 35 -4.825 -14.526 -20.525 1.00 31.44 H new ATOM 0 HB1 ALA A 35 -3.145 -15.433 -22.123 1.00 73.44 H new ATOM 0 HB2 ALA A 35 -3.710 -13.814 -22.601 1.00 73.44 H new ATOM 0 HB3 ALA A 35 -2.118 -14.010 -21.829 1.00 73.44 H new ATOM 558 N THR A 36 -1.861 -14.662 -19.045 1.00 55.21 N ATOM 559 CA THR A 36 -1.104 -15.393 -18.018 1.00 53.33 C ATOM 560 C THR A 36 -1.871 -15.432 -16.689 1.00 35.11 C ATOM 561 O THR A 36 -1.922 -16.461 -16.014 1.00 64.12 O ATOM 562 CB THR A 36 0.291 -14.769 -17.775 1.00 51.32 C ATOM 563 OG1 THR A 36 1.056 -14.770 -18.991 1.00 43.44 O ATOM 564 CG2 THR A 36 1.054 -15.529 -16.693 1.00 13.40 C ATOM 0 H THR A 36 -1.385 -13.839 -19.415 1.00 55.21 H new ATOM 0 HA THR A 36 -0.973 -16.408 -18.394 1.00 53.33 H new ATOM 0 HB THR A 36 0.142 -13.743 -17.440 1.00 51.32 H new ATOM 0 HG1 THR A 36 1.998 -14.945 -18.785 1.00 43.44 H new ATOM 0 HG21 THR A 36 2.030 -15.068 -16.544 1.00 13.40 H new ATOM 0 HG22 THR A 36 0.491 -15.497 -15.760 1.00 13.40 H new ATOM 0 HG23 THR A 36 1.186 -16.566 -17.001 1.00 13.40 H new ATOM 572 N SER A 37 -2.489 -14.308 -16.332 1.00 73.53 N ATOM 573 CA SER A 37 -3.268 -14.211 -15.091 1.00 4.13 C ATOM 574 C SER A 37 -4.469 -15.172 -15.113 1.00 74.34 C ATOM 575 O SER A 37 -4.763 -15.841 -14.119 1.00 24.35 O ATOM 576 CB SER A 37 -3.748 -12.766 -14.876 1.00 31.20 C ATOM 577 OG SER A 37 -2.654 -11.852 -14.854 1.00 35.21 O ATOM 0 H SER A 37 -2.468 -13.449 -16.882 1.00 73.53 H new ATOM 0 HA SER A 37 -2.620 -14.498 -14.262 1.00 4.13 H new ATOM 0 HB2 SER A 37 -4.440 -12.489 -15.671 1.00 31.20 H new ATOM 0 HB3 SER A 37 -4.298 -12.700 -13.937 1.00 31.20 H new ATOM 0 HG SER A 37 -2.651 -11.325 -15.680 1.00 35.21 H new ATOM 583 N ARG A 38 -5.154 -15.244 -16.256 1.00 61.23 N ATOM 584 CA ARG A 38 -6.291 -16.158 -16.418 1.00 23.12 C ATOM 585 C ARG A 38 -5.857 -17.624 -16.301 1.00 51.14 C ATOM 586 O ARG A 38 -6.375 -18.373 -15.470 1.00 55.44 O ATOM 587 CB ARG A 38 -6.976 -15.951 -17.781 1.00 12.01 C ATOM 588 CG ARG A 38 -8.045 -17.006 -18.082 1.00 52.42 C ATOM 589 CD ARG A 38 -8.570 -16.930 -19.511 1.00 65.33 C ATOM 590 NE ARG A 38 -9.432 -18.072 -19.823 1.00 13.31 N ATOM 591 CZ ARG A 38 -10.204 -18.153 -20.873 1.00 14.40 C ATOM 592 NH1 ARG A 38 -10.229 -17.208 -21.757 1.00 42.50 N ATOM 593 NH2 ARG A 38 -10.946 -19.196 -21.050 1.00 12.52 N ATOM 0 H ARG A 38 -4.944 -14.683 -17.082 1.00 61.23 H new ATOM 0 HA ARG A 38 -6.994 -15.930 -15.617 1.00 23.12 H new ATOM 0 HB2 ARG A 38 -7.433 -14.962 -17.805 1.00 12.01 H new ATOM 0 HB3 ARG A 38 -6.221 -15.972 -18.567 1.00 12.01 H new ATOM 0 HG2 ARG A 38 -7.629 -17.998 -17.906 1.00 52.42 H new ATOM 0 HG3 ARG A 38 -8.876 -16.881 -17.388 1.00 52.42 H new ATOM 0 HD2 ARG A 38 -9.127 -16.003 -19.647 1.00 65.33 H new ATOM 0 HD3 ARG A 38 -7.732 -16.903 -20.208 1.00 65.33 H new ATOM 0 HE ARG A 38 -9.429 -18.859 -19.175 1.00 13.31 H new ATOM 0 HH11 ARG A 38 -9.640 -16.384 -21.639 1.00 42.50 H new ATOM 0 HH12 ARG A 38 -10.838 -17.287 -22.571 1.00 42.50 H new ATOM 0 HH21 ARG A 38 -10.929 -19.956 -20.370 1.00 12.52 H new ATOM 0 HH22 ARG A 38 -11.549 -19.260 -21.870 1.00 12.52 H new ATOM 607 N LYS A 39 -4.895 -18.024 -17.132 1.00 22.45 N ATOM 608 CA LYS A 39 -4.478 -19.425 -17.205 1.00 22.13 C ATOM 609 C LYS A 39 -3.880 -19.902 -15.873 1.00 54.24 C ATOM 610 O LYS A 39 -3.984 -21.077 -15.523 1.00 73.21 O ATOM 611 CB LYS A 39 -3.502 -19.637 -18.376 1.00 15.10 C ATOM 612 CG LYS A 39 -2.078 -19.139 -18.142 1.00 11.55 C ATOM 613 CD LYS A 39 -1.378 -18.725 -19.445 1.00 34.14 C ATOM 614 CE LYS A 39 -1.679 -19.662 -20.615 1.00 41.42 C ATOM 615 NZ LYS A 39 -1.364 -21.084 -20.318 1.00 0.41 N ATOM 0 H LYS A 39 -4.391 -17.400 -17.762 1.00 22.45 H new ATOM 0 HA LYS A 39 -5.362 -20.034 -17.392 1.00 22.13 H new ATOM 0 HB2 LYS A 39 -3.463 -20.702 -18.606 1.00 15.10 H new ATOM 0 HB3 LYS A 39 -3.904 -19.136 -19.257 1.00 15.10 H new ATOM 0 HG2 LYS A 39 -2.101 -18.289 -17.460 1.00 11.55 H new ATOM 0 HG3 LYS A 39 -1.498 -19.923 -17.655 1.00 11.55 H new ATOM 0 HD2 LYS A 39 -1.686 -17.713 -19.710 1.00 34.14 H new ATOM 0 HD3 LYS A 39 -0.301 -18.697 -19.278 1.00 34.14 H new ATOM 0 HE2 LYS A 39 -2.733 -19.577 -20.879 1.00 41.42 H new ATOM 0 HE3 LYS A 39 -1.106 -19.343 -21.485 1.00 41.42 H new ATOM 0 HZ1 LYS A 39 -1.192 -21.595 -21.208 1.00 0.41 H new ATOM 0 HZ2 LYS A 39 -0.514 -21.134 -19.721 1.00 0.41 H new ATOM 0 HZ3 LYS A 39 -2.165 -21.520 -19.818 1.00 0.41 H new ATOM 629 N ALA A 40 -3.275 -18.982 -15.121 1.00 42.21 N ATOM 630 CA ALA A 40 -2.794 -19.289 -13.770 1.00 53.13 C ATOM 631 C ALA A 40 -3.968 -19.577 -12.817 1.00 13.10 C ATOM 632 O ALA A 40 -3.933 -20.532 -12.040 1.00 74.01 O ATOM 633 CB ALA A 40 -1.940 -18.144 -13.234 1.00 32.30 C ATOM 0 H ALA A 40 -3.106 -18.022 -15.421 1.00 42.21 H new ATOM 0 HA ALA A 40 -2.178 -20.186 -13.827 1.00 53.13 H new ATOM 0 HB1 ALA A 40 -1.592 -18.389 -12.231 1.00 32.30 H new ATOM 0 HB2 ALA A 40 -1.082 -17.992 -13.889 1.00 32.30 H new ATOM 0 HB3 ALA A 40 -2.535 -17.232 -13.199 1.00 32.30 H new ATOM 639 N LEU A 41 -5.011 -18.748 -12.896 1.00 24.30 N ATOM 640 CA LEU A 41 -6.206 -18.910 -12.054 1.00 11.24 C ATOM 641 C LEU A 41 -6.878 -20.279 -12.267 1.00 31.10 C ATOM 642 O LEU A 41 -7.094 -21.033 -11.317 1.00 42.31 O ATOM 643 CB LEU A 41 -7.211 -17.788 -12.351 1.00 22.52 C ATOM 644 CG LEU A 41 -8.508 -17.821 -11.523 1.00 31.15 C ATOM 645 CD1 LEU A 41 -8.209 -17.649 -10.036 1.00 71.32 C ATOM 646 CD2 LEU A 41 -9.490 -16.753 -12.006 1.00 23.51 C ATOM 0 H LEU A 41 -5.055 -17.954 -13.535 1.00 24.30 H new ATOM 0 HA LEU A 41 -5.886 -18.855 -11.014 1.00 11.24 H new ATOM 0 HB2 LEU A 41 -6.719 -16.830 -12.184 1.00 22.52 H new ATOM 0 HB3 LEU A 41 -7.475 -17.831 -13.408 1.00 22.52 H new ATOM 0 HG LEU A 41 -8.973 -18.797 -11.664 1.00 31.15 H new ATOM 0 HD11 LEU A 41 -9.141 -17.676 -9.472 1.00 71.32 H new ATOM 0 HD12 LEU A 41 -7.558 -18.456 -9.700 1.00 71.32 H new ATOM 0 HD13 LEU A 41 -7.714 -16.692 -9.873 1.00 71.32 H new ATOM 0 HD21 LEU A 41 -10.399 -16.796 -11.406 1.00 23.51 H new ATOM 0 HD22 LEU A 41 -9.035 -15.768 -11.905 1.00 23.51 H new ATOM 0 HD23 LEU A 41 -9.738 -16.933 -13.052 1.00 23.51 H new ATOM 658 N GLU A 42 -7.202 -20.602 -13.518 1.00 61.04 N ATOM 659 CA GLU A 42 -7.862 -21.877 -13.826 1.00 75.52 C ATOM 660 C GLU A 42 -6.930 -23.080 -13.595 1.00 14.31 C ATOM 661 O GLU A 42 -7.397 -24.193 -13.333 1.00 23.44 O ATOM 662 CB GLU A 42 -8.447 -21.871 -15.249 1.00 52.12 C ATOM 663 CG GLU A 42 -7.514 -21.344 -16.334 1.00 11.10 C ATOM 664 CD GLU A 42 -8.236 -21.126 -17.658 1.00 61.14 C ATOM 665 OE1 GLU A 42 -9.136 -20.255 -17.713 1.00 2.54 O ATOM 666 OE2 GLU A 42 -7.934 -21.836 -18.638 1.00 42.24 O ATOM 0 H GLU A 42 -7.023 -20.009 -14.328 1.00 61.04 H new ATOM 0 HA GLU A 42 -8.693 -21.989 -13.130 1.00 75.52 H new ATOM 0 HB2 GLU A 42 -8.741 -22.888 -15.508 1.00 52.12 H new ATOM 0 HB3 GLU A 42 -9.355 -21.268 -15.249 1.00 52.12 H new ATOM 0 HG2 GLU A 42 -7.071 -20.404 -16.005 1.00 11.10 H new ATOM 0 HG3 GLU A 42 -6.695 -22.048 -16.480 1.00 11.10 H new ATOM 673 N THR A 43 -5.617 -22.861 -13.664 1.00 75.45 N ATOM 674 CA THR A 43 -4.655 -23.891 -13.242 1.00 63.35 C ATOM 675 C THR A 43 -4.758 -24.128 -11.728 1.00 22.10 C ATOM 676 O THR A 43 -4.752 -25.271 -11.269 1.00 73.13 O ATOM 677 CB THR A 43 -3.193 -23.529 -13.616 1.00 11.34 C ATOM 678 OG1 THR A 43 -3.026 -23.562 -15.041 1.00 41.01 O ATOM 679 CG2 THR A 43 -2.194 -24.490 -12.974 1.00 11.55 C ATOM 0 H THR A 43 -5.195 -21.996 -14.002 1.00 75.45 H new ATOM 0 HA THR A 43 -4.914 -24.804 -13.778 1.00 63.35 H new ATOM 0 HB THR A 43 -2.998 -22.525 -13.240 1.00 11.34 H new ATOM 0 HG1 THR A 43 -3.432 -22.763 -15.437 1.00 41.01 H new ATOM 0 HG21 THR A 43 -1.181 -24.205 -13.258 1.00 11.55 H new ATOM 0 HG22 THR A 43 -2.292 -24.446 -11.889 1.00 11.55 H new ATOM 0 HG23 THR A 43 -2.395 -25.505 -13.316 1.00 11.55 H new ATOM 687 N LEU A 44 -4.878 -23.040 -10.958 1.00 45.41 N ATOM 688 CA LEU A 44 -5.100 -23.127 -9.505 1.00 42.12 C ATOM 689 C LEU A 44 -6.353 -23.952 -9.175 1.00 35.50 C ATOM 690 O LEU A 44 -6.417 -24.605 -8.141 1.00 24.24 O ATOM 691 CB LEU A 44 -5.221 -21.725 -8.882 1.00 53.41 C ATOM 692 CG LEU A 44 -3.900 -20.959 -8.697 1.00 22.53 C ATOM 693 CD1 LEU A 44 -4.165 -19.545 -8.186 1.00 11.35 C ATOM 694 CD2 LEU A 44 -2.980 -21.709 -7.737 1.00 42.12 C ATOM 0 H LEU A 44 -4.825 -22.086 -11.315 1.00 45.41 H new ATOM 0 HA LEU A 44 -4.234 -23.632 -9.077 1.00 42.12 H new ATOM 0 HB2 LEU A 44 -5.882 -21.126 -9.508 1.00 53.41 H new ATOM 0 HB3 LEU A 44 -5.703 -21.821 -7.909 1.00 53.41 H new ATOM 0 HG LEU A 44 -3.406 -20.887 -9.666 1.00 22.53 H new ATOM 0 HD11 LEU A 44 -3.218 -19.020 -8.062 1.00 11.35 H new ATOM 0 HD12 LEU A 44 -4.786 -19.009 -8.904 1.00 11.35 H new ATOM 0 HD13 LEU A 44 -4.681 -19.595 -7.227 1.00 11.35 H new ATOM 0 HD21 LEU A 44 -2.050 -21.154 -7.617 1.00 42.12 H new ATOM 0 HD22 LEU A 44 -3.470 -21.811 -6.769 1.00 42.12 H new ATOM 0 HD23 LEU A 44 -2.763 -22.698 -8.139 1.00 42.12 H new ATOM 706 N ARG A 45 -7.356 -23.908 -10.047 1.00 32.04 N ATOM 707 CA ARG A 45 -8.549 -24.747 -9.879 1.00 52.53 C ATOM 708 C ARG A 45 -8.206 -26.228 -10.099 1.00 21.25 C ATOM 709 O ARG A 45 -8.451 -27.079 -9.236 1.00 60.41 O ATOM 710 CB ARG A 45 -9.647 -24.323 -10.865 1.00 22.21 C ATOM 711 CG ARG A 45 -10.064 -22.863 -10.742 1.00 41.15 C ATOM 712 CD ARG A 45 -11.055 -22.468 -11.834 1.00 34.24 C ATOM 713 NE ARG A 45 -11.411 -21.054 -11.760 1.00 61.13 N ATOM 714 CZ ARG A 45 -11.474 -20.248 -12.782 1.00 22.42 C ATOM 715 NH1 ARG A 45 -11.243 -20.676 -13.983 1.00 42.12 N ATOM 716 NH2 ARG A 45 -11.779 -19.008 -12.593 1.00 22.54 N ATOM 0 H ARG A 45 -7.372 -23.308 -10.872 1.00 32.04 H new ATOM 0 HA ARG A 45 -8.912 -24.615 -8.860 1.00 52.53 H new ATOM 0 HB2 ARG A 45 -9.298 -24.505 -11.881 1.00 22.21 H new ATOM 0 HB3 ARG A 45 -10.522 -24.954 -10.711 1.00 22.21 H new ATOM 0 HG2 ARG A 45 -10.513 -22.693 -9.763 1.00 41.15 H new ATOM 0 HG3 ARG A 45 -9.182 -22.226 -10.802 1.00 41.15 H new ATOM 0 HD2 ARG A 45 -10.623 -22.683 -12.811 1.00 34.24 H new ATOM 0 HD3 ARG A 45 -11.956 -23.075 -11.743 1.00 34.24 H new ATOM 0 HE ARG A 45 -11.626 -20.669 -10.840 1.00 61.13 H new ATOM 0 HH11 ARG A 45 -11.008 -21.656 -14.139 1.00 42.12 H new ATOM 0 HH12 ARG A 45 -11.296 -20.033 -14.773 1.00 42.12 H new ATOM 0 HH21 ARG A 45 -11.968 -18.667 -11.650 1.00 22.54 H new ATOM 0 HH22 ARG A 45 -11.831 -18.369 -13.386 1.00 22.54 H new ATOM 730 N ARG A 46 -7.612 -26.509 -11.260 1.00 5.31 N ATOM 731 CA ARG A 46 -7.259 -27.874 -11.669 1.00 53.04 C ATOM 732 C ARG A 46 -6.351 -28.577 -10.645 1.00 14.02 C ATOM 733 O ARG A 46 -6.571 -29.742 -10.305 1.00 23.21 O ATOM 734 CB ARG A 46 -6.572 -27.824 -13.044 1.00 63.53 C ATOM 735 CG ARG A 46 -6.150 -29.186 -13.595 1.00 0.33 C ATOM 736 CD ARG A 46 -5.568 -29.065 -15.002 1.00 43.25 C ATOM 737 NE ARG A 46 -5.119 -30.352 -15.537 1.00 5.41 N ATOM 738 CZ ARG A 46 -5.380 -30.778 -16.747 1.00 41.02 C ATOM 739 NH1 ARG A 46 -6.109 -30.077 -17.556 1.00 31.51 N ATOM 740 NH2 ARG A 46 -4.912 -31.912 -17.150 1.00 24.33 N ATOM 0 H ARG A 46 -7.361 -25.797 -11.946 1.00 5.31 H new ATOM 0 HA ARG A 46 -8.178 -28.457 -11.727 1.00 53.04 H new ATOM 0 HB2 ARG A 46 -7.249 -27.352 -13.757 1.00 63.53 H new ATOM 0 HB3 ARG A 46 -5.690 -27.187 -12.972 1.00 63.53 H new ATOM 0 HG2 ARG A 46 -5.411 -29.635 -12.932 1.00 0.33 H new ATOM 0 HG3 ARG A 46 -7.010 -29.855 -13.612 1.00 0.33 H new ATOM 0 HD2 ARG A 46 -6.320 -28.641 -15.667 1.00 43.25 H new ATOM 0 HD3 ARG A 46 -4.729 -28.370 -14.986 1.00 43.25 H new ATOM 0 HE ARG A 46 -4.567 -30.956 -14.927 1.00 5.41 H new ATOM 0 HH11 ARG A 46 -6.488 -29.180 -17.253 1.00 31.51 H new ATOM 0 HH12 ARG A 46 -6.304 -30.422 -18.496 1.00 31.51 H new ATOM 0 HH21 ARG A 46 -4.338 -32.478 -16.525 1.00 24.33 H new ATOM 0 HH22 ARG A 46 -5.117 -32.242 -18.093 1.00 24.33 H new ATOM 754 N VAL A 47 -5.334 -27.870 -10.157 1.00 74.01 N ATOM 755 CA VAL A 47 -4.381 -28.450 -9.201 1.00 31.24 C ATOM 756 C VAL A 47 -4.777 -28.166 -7.741 1.00 1.30 C ATOM 757 O VAL A 47 -4.557 -28.996 -6.859 1.00 73.34 O ATOM 758 CB VAL A 47 -2.941 -27.924 -9.454 1.00 21.43 C ATOM 759 CG1 VAL A 47 -2.527 -28.159 -10.906 1.00 20.22 C ATOM 760 CG2 VAL A 47 -2.815 -26.444 -9.093 1.00 62.22 C ATOM 0 H VAL A 47 -5.145 -26.898 -10.404 1.00 74.01 H new ATOM 0 HA VAL A 47 -4.405 -29.528 -9.360 1.00 31.24 H new ATOM 0 HB VAL A 47 -2.267 -28.484 -8.806 1.00 21.43 H new ATOM 0 HG11 VAL A 47 -1.516 -27.783 -11.061 1.00 20.22 H new ATOM 0 HG12 VAL A 47 -2.555 -29.227 -11.124 1.00 20.22 H new ATOM 0 HG13 VAL A 47 -3.215 -27.635 -11.570 1.00 20.22 H new ATOM 0 HG21 VAL A 47 -1.795 -26.109 -9.282 1.00 62.22 H new ATOM 0 HG22 VAL A 47 -3.507 -25.861 -9.701 1.00 62.22 H new ATOM 0 HG23 VAL A 47 -3.053 -26.305 -8.038 1.00 62.22 H new ATOM 770 N GLY A 48 -5.387 -27.006 -7.503 1.00 65.44 N ATOM 771 CA GLY A 48 -5.706 -26.584 -6.143 1.00 22.42 C ATOM 772 C GLY A 48 -6.735 -27.468 -5.457 1.00 25.42 C ATOM 773 O GLY A 48 -6.520 -27.912 -4.329 1.00 14.13 O ATOM 0 H GLY A 48 -5.668 -26.347 -8.229 1.00 65.44 H new ATOM 0 HA2 GLY A 48 -4.792 -26.577 -5.550 1.00 22.42 H new ATOM 0 HA3 GLY A 48 -6.078 -25.560 -6.167 1.00 22.42 H new ATOM 777 N ASP A 49 -7.856 -27.738 -6.132 1.00 20.50 N ATOM 778 CA ASP A 49 -8.905 -28.577 -5.545 1.00 12.22 C ATOM 779 C ASP A 49 -8.373 -29.991 -5.254 1.00 5.32 C ATOM 780 O ASP A 49 -8.741 -30.612 -4.254 1.00 61.12 O ATOM 781 CB ASP A 49 -10.134 -28.639 -6.460 1.00 30.40 C ATOM 782 CG ASP A 49 -11.340 -29.224 -5.744 1.00 64.31 C ATOM 783 OD1 ASP A 49 -12.070 -28.458 -5.076 1.00 10.24 O ATOM 784 OD2 ASP A 49 -11.550 -30.456 -5.817 1.00 62.20 O ATOM 0 H ASP A 49 -8.059 -27.394 -7.071 1.00 20.50 H new ATOM 0 HA ASP A 49 -9.209 -28.125 -4.601 1.00 12.22 H new ATOM 0 HB2 ASP A 49 -10.373 -27.637 -6.816 1.00 30.40 H new ATOM 0 HB3 ASP A 49 -9.904 -29.243 -7.338 1.00 30.40 H new ATOM 789 N GLY A 50 -7.497 -30.487 -6.128 1.00 75.03 N ATOM 790 CA GLY A 50 -6.833 -31.766 -5.887 1.00 53.14 C ATOM 791 C GLY A 50 -6.014 -31.754 -4.598 1.00 71.33 C ATOM 792 O GLY A 50 -6.157 -32.639 -3.751 1.00 72.04 O ATOM 0 H GLY A 50 -7.233 -30.028 -7.000 1.00 75.03 H new ATOM 0 HA2 GLY A 50 -7.580 -32.558 -5.834 1.00 53.14 H new ATOM 0 HA3 GLY A 50 -6.181 -32.000 -6.728 1.00 53.14 H new ATOM 796 N VAL A 51 -5.172 -30.731 -4.440 1.00 63.21 N ATOM 797 CA VAL A 51 -4.386 -30.550 -3.214 1.00 50.21 C ATOM 798 C VAL A 51 -5.298 -30.439 -1.980 1.00 54.32 C ATOM 799 O VAL A 51 -4.986 -30.974 -0.913 1.00 32.31 O ATOM 800 CB VAL A 51 -3.479 -29.294 -3.313 1.00 10.21 C ATOM 801 CG1 VAL A 51 -2.747 -29.027 -1.997 1.00 25.13 C ATOM 802 CG2 VAL A 51 -2.480 -29.445 -4.462 1.00 74.12 C ATOM 0 H VAL A 51 -5.015 -30.012 -5.147 1.00 63.21 H new ATOM 0 HA VAL A 51 -3.754 -31.431 -3.101 1.00 50.21 H new ATOM 0 HB VAL A 51 -4.120 -28.436 -3.516 1.00 10.21 H new ATOM 0 HG11 VAL A 51 -2.121 -28.141 -2.102 1.00 25.13 H new ATOM 0 HG12 VAL A 51 -3.475 -28.865 -1.202 1.00 25.13 H new ATOM 0 HG13 VAL A 51 -2.122 -29.885 -1.748 1.00 25.13 H new ATOM 0 HG21 VAL A 51 -1.852 -28.556 -4.517 1.00 74.12 H new ATOM 0 HG22 VAL A 51 -1.855 -30.321 -4.288 1.00 74.12 H new ATOM 0 HG23 VAL A 51 -3.021 -29.566 -5.401 1.00 74.12 H new ATOM 812 N GLN A 52 -6.435 -29.757 -2.136 1.00 33.34 N ATOM 813 CA GLN A 52 -7.429 -29.665 -1.062 1.00 63.22 C ATOM 814 C GLN A 52 -7.889 -31.059 -0.610 1.00 4.35 C ATOM 815 O GLN A 52 -7.874 -31.366 0.572 1.00 72.31 O ATOM 816 CB GLN A 52 -8.657 -28.854 -1.503 1.00 2.11 C ATOM 817 CG GLN A 52 -8.377 -27.389 -1.824 1.00 11.25 C ATOM 818 CD GLN A 52 -9.643 -26.616 -2.168 1.00 22.25 C ATOM 819 OE1 GLN A 52 -10.727 -26.917 -1.670 1.00 73.31 O ATOM 820 NE2 GLN A 52 -9.524 -25.629 -3.033 1.00 34.13 N ATOM 0 H GLN A 52 -6.690 -29.262 -2.991 1.00 33.34 H new ATOM 0 HA GLN A 52 -6.945 -29.156 -0.228 1.00 63.22 H new ATOM 0 HB2 GLN A 52 -9.090 -29.328 -2.384 1.00 2.11 H new ATOM 0 HB3 GLN A 52 -9.408 -28.901 -0.714 1.00 2.11 H new ATOM 0 HG2 GLN A 52 -7.889 -26.920 -0.969 1.00 11.25 H new ATOM 0 HG3 GLN A 52 -7.680 -27.330 -2.660 1.00 11.25 H new ATOM 0 HE21 GLN A 52 -8.611 -25.404 -3.428 1.00 34.13 H new ATOM 0 HE22 GLN A 52 -10.345 -25.090 -3.308 1.00 34.13 H new ATOM 829 N ARG A 53 -8.281 -31.903 -1.565 1.00 35.22 N ATOM 830 CA ARG A 53 -8.843 -33.227 -1.253 1.00 12.21 C ATOM 831 C ARG A 53 -7.912 -34.081 -0.365 1.00 21.32 C ATOM 832 O ARG A 53 -8.349 -34.620 0.653 1.00 62.14 O ATOM 833 CB ARG A 53 -9.177 -33.989 -2.544 1.00 55.41 C ATOM 834 CG ARG A 53 -10.156 -33.268 -3.474 1.00 64.34 C ATOM 835 CD ARG A 53 -11.545 -33.090 -2.854 1.00 42.43 C ATOM 836 NE ARG A 53 -11.561 -32.139 -1.736 1.00 3.55 N ATOM 837 CZ ARG A 53 -11.661 -30.841 -1.872 1.00 30.24 C ATOM 838 NH1 ARG A 53 -11.692 -30.300 -3.046 1.00 25.25 N ATOM 839 NH2 ARG A 53 -11.722 -30.086 -0.827 1.00 73.22 N ATOM 0 H ARG A 53 -8.222 -31.698 -2.562 1.00 35.22 H new ATOM 0 HA ARG A 53 -9.756 -33.049 -0.685 1.00 12.21 H new ATOM 0 HB2 ARG A 53 -8.252 -34.178 -3.088 1.00 55.41 H new ATOM 0 HB3 ARG A 53 -9.596 -34.960 -2.279 1.00 55.41 H new ATOM 0 HG2 ARG A 53 -9.751 -32.290 -3.732 1.00 64.34 H new ATOM 0 HG3 ARG A 53 -10.248 -33.830 -4.403 1.00 64.34 H new ATOM 0 HD2 ARG A 53 -12.238 -32.749 -3.623 1.00 42.43 H new ATOM 0 HD3 ARG A 53 -11.907 -34.057 -2.505 1.00 42.43 H new ATOM 0 HE ARG A 53 -11.489 -32.515 -0.790 1.00 3.55 H new ATOM 0 HH11 ARG A 53 -11.638 -30.886 -3.879 1.00 25.25 H new ATOM 0 HH12 ARG A 53 -11.770 -29.287 -3.139 1.00 25.25 H new ATOM 0 HH21 ARG A 53 -11.692 -30.501 0.104 1.00 73.22 H new ATOM 0 HH22 ARG A 53 -11.800 -29.074 -0.932 1.00 73.22 H new ATOM 853 N ASN A 54 -6.637 -34.205 -0.740 1.00 61.12 N ATOM 854 CA ASN A 54 -5.700 -35.055 0.016 1.00 12.50 C ATOM 855 C ASN A 54 -5.190 -34.374 1.308 1.00 23.02 C ATOM 856 O ASN A 54 -4.749 -35.045 2.239 1.00 1.32 O ATOM 857 CB ASN A 54 -4.523 -35.491 -0.871 1.00 4.32 C ATOM 858 CG ASN A 54 -3.681 -34.336 -1.372 1.00 70.42 C ATOM 859 OD1 ASN A 54 -4.000 -33.831 -2.543 1.00 71.42 O flip ATOM 860 ND2 ASN A 54 -2.743 -33.908 -0.717 1.00 55.53 N flip ATOM 0 H ASN A 54 -6.229 -33.737 -1.550 1.00 61.12 H new ATOM 0 HA ASN A 54 -6.255 -35.941 0.324 1.00 12.50 H new ATOM 0 HB2 ASN A 54 -3.888 -36.175 -0.308 1.00 4.32 H new ATOM 0 HB3 ASN A 54 -4.909 -36.046 -1.726 1.00 4.32 H new ATOM 0 HD21 ASN A 54 -2.522 -34.322 0.188 1.00 55.53 H new ATOM 0 HD22 ASN A 54 -2.181 -33.136 -1.075 1.00 55.53 H new ATOM 867 N HIS A 55 -5.234 -33.044 1.353 1.00 72.10 N ATOM 868 CA HIS A 55 -4.867 -32.281 2.560 1.00 14.25 C ATOM 869 C HIS A 55 -6.077 -31.998 3.474 1.00 24.13 C ATOM 870 O HIS A 55 -5.907 -31.645 4.638 1.00 13.12 O ATOM 871 CB HIS A 55 -4.168 -30.966 2.192 1.00 24.23 C ATOM 872 CG HIS A 55 -2.755 -31.146 1.723 1.00 11.43 C ATOM 873 ND1 HIS A 55 -2.250 -31.423 0.499 1.00 11.51 N flip ATOM 874 CD2 HIS A 55 -1.666 -31.048 2.564 1.00 10.44 C flip ATOM 875 CE1 HIS A 55 -0.886 -31.486 0.626 1.00 32.32 C flip ATOM 876 NE2 HIS A 55 -0.561 -31.256 1.878 1.00 62.53 N flip ATOM 0 H HIS A 55 -5.521 -32.463 0.566 1.00 72.10 H new ATOM 0 HA HIS A 55 -4.174 -32.909 3.119 1.00 14.25 H new ATOM 0 HB2 HIS A 55 -4.740 -30.467 1.410 1.00 24.23 H new ATOM 0 HB3 HIS A 55 -4.172 -30.307 3.060 1.00 24.23 H new ATOM 0 HD2 HIS A 55 -1.712 -30.834 3.622 1.00 10.44 H new ATOM 0 HE1 HIS A 55 -0.191 -31.692 -0.174 1.00 32.32 H new ATOM 0 HE2 HIS A 55 0.387 -31.241 2.255 1.00 62.53 H new ATOM 885 N GLU A 56 -7.286 -32.141 2.935 1.00 0.24 N ATOM 886 CA GLU A 56 -8.522 -31.667 3.586 1.00 52.21 C ATOM 887 C GLU A 56 -8.640 -32.090 5.061 1.00 42.32 C ATOM 888 O GLU A 56 -8.755 -31.234 5.942 1.00 51.44 O ATOM 889 CB GLU A 56 -9.737 -32.169 2.789 1.00 51.15 C ATOM 890 CG GLU A 56 -11.083 -31.709 3.333 1.00 64.22 C ATOM 891 CD GLU A 56 -12.220 -31.966 2.356 1.00 74.03 C ATOM 892 OE1 GLU A 56 -12.781 -33.082 2.362 1.00 40.20 O ATOM 893 OE2 GLU A 56 -12.546 -31.055 1.561 1.00 43.51 O ATOM 0 H GLU A 56 -7.445 -32.589 2.032 1.00 0.24 H new ATOM 0 HA GLU A 56 -8.488 -30.578 3.588 1.00 52.21 H new ATOM 0 HB2 GLU A 56 -9.642 -31.833 1.757 1.00 51.15 H new ATOM 0 HB3 GLU A 56 -9.719 -33.259 2.772 1.00 51.15 H new ATOM 0 HG2 GLU A 56 -11.289 -32.226 4.270 1.00 64.22 H new ATOM 0 HG3 GLU A 56 -11.036 -30.644 3.560 1.00 64.22 H new ATOM 900 N THR A 57 -8.605 -33.392 5.341 1.00 44.13 N ATOM 901 CA THR A 57 -8.701 -33.867 6.732 1.00 42.43 C ATOM 902 C THR A 57 -7.520 -33.367 7.582 1.00 63.45 C ATOM 903 O THR A 57 -7.659 -33.120 8.782 1.00 34.35 O ATOM 904 CB THR A 57 -8.777 -35.412 6.825 1.00 55.45 C ATOM 905 OG1 THR A 57 -8.951 -35.813 8.194 1.00 54.44 O ATOM 906 CG2 THR A 57 -7.523 -36.076 6.262 1.00 50.41 C ATOM 0 H THR A 57 -8.513 -34.129 4.642 1.00 44.13 H new ATOM 0 HA THR A 57 -9.629 -33.453 7.125 1.00 42.43 H new ATOM 0 HB THR A 57 -9.630 -35.734 6.228 1.00 55.45 H new ATOM 0 HG1 THR A 57 -9.000 -36.790 8.245 1.00 54.44 H new ATOM 0 HG21 THR A 57 -7.616 -37.159 6.346 1.00 50.41 H new ATOM 0 HG22 THR A 57 -7.406 -35.802 5.214 1.00 50.41 H new ATOM 0 HG23 THR A 57 -6.651 -35.742 6.824 1.00 50.41 H new ATOM 914 N ALA A 58 -6.360 -33.199 6.942 1.00 45.41 N ATOM 915 CA ALA A 58 -5.165 -32.678 7.613 1.00 20.25 C ATOM 916 C ALA A 58 -5.322 -31.184 7.950 1.00 10.53 C ATOM 917 O ALA A 58 -4.761 -30.692 8.933 1.00 61.34 O ATOM 918 CB ALA A 58 -3.932 -32.908 6.741 1.00 42.23 C ATOM 0 H ALA A 58 -6.222 -33.417 5.955 1.00 45.41 H new ATOM 0 HA ALA A 58 -5.038 -33.217 8.552 1.00 20.25 H new ATOM 0 HB1 ALA A 58 -3.050 -32.518 7.248 1.00 42.23 H new ATOM 0 HB2 ALA A 58 -3.806 -33.976 6.564 1.00 42.23 H new ATOM 0 HB3 ALA A 58 -4.060 -32.395 5.788 1.00 42.23 H new ATOM 924 N PHE A 59 -6.084 -30.467 7.125 1.00 11.53 N ATOM 925 CA PHE A 59 -6.395 -29.059 7.385 1.00 14.22 C ATOM 926 C PHE A 59 -7.472 -28.919 8.469 1.00 72.42 C ATOM 927 O PHE A 59 -7.358 -28.074 9.355 1.00 42.00 O ATOM 928 CB PHE A 59 -6.855 -28.356 6.101 1.00 61.44 C ATOM 929 CG PHE A 59 -5.750 -28.072 5.108 1.00 34.04 C ATOM 930 CD1 PHE A 59 -4.441 -27.865 5.533 1.00 14.43 C ATOM 931 CD2 PHE A 59 -6.025 -27.994 3.750 1.00 4.14 C ATOM 932 CE1 PHE A 59 -3.436 -27.590 4.623 1.00 43.34 C ATOM 933 CE2 PHE A 59 -5.022 -27.716 2.838 1.00 62.33 C ATOM 934 CZ PHE A 59 -3.727 -27.515 3.275 1.00 0.13 C ATOM 0 H PHE A 59 -6.498 -30.837 6.270 1.00 11.53 H new ATOM 0 HA PHE A 59 -5.482 -28.583 7.741 1.00 14.22 H new ATOM 0 HB2 PHE A 59 -7.612 -28.973 5.616 1.00 61.44 H new ATOM 0 HB3 PHE A 59 -7.335 -27.415 6.370 1.00 61.44 H new ATOM 0 HD1 PHE A 59 -4.207 -27.920 6.586 1.00 14.43 H new ATOM 0 HD2 PHE A 59 -7.035 -28.152 3.400 1.00 4.14 H new ATOM 0 HE1 PHE A 59 -2.424 -27.434 4.967 1.00 43.34 H new ATOM 0 HE2 PHE A 59 -5.252 -27.656 1.784 1.00 62.33 H new ATOM 0 HZ PHE A 59 -2.943 -27.300 2.564 1.00 0.13 H new ATOM 944 N GLN A 60 -8.512 -29.755 8.394 1.00 1.13 N ATOM 945 CA GLN A 60 -9.589 -29.758 9.398 1.00 12.40 C ATOM 946 C GLN A 60 -9.028 -29.872 10.826 1.00 10.31 C ATOM 947 O GLN A 60 -9.509 -29.211 11.748 1.00 64.12 O ATOM 948 CB GLN A 60 -10.572 -30.912 9.139 1.00 51.51 C ATOM 949 CG GLN A 60 -11.381 -30.784 7.848 1.00 11.04 C ATOM 950 CD GLN A 60 -12.247 -29.530 7.799 1.00 2.21 C ATOM 951 OE1 GLN A 60 -12.672 -29.004 8.822 1.00 53.24 O ATOM 952 NE2 GLN A 60 -12.550 -29.065 6.605 1.00 15.44 N ATOM 0 H GLN A 60 -8.634 -30.441 7.649 1.00 1.13 H new ATOM 0 HA GLN A 60 -10.117 -28.808 9.308 1.00 12.40 H new ATOM 0 HB2 GLN A 60 -10.013 -31.848 9.111 1.00 51.51 H new ATOM 0 HB3 GLN A 60 -11.263 -30.979 9.980 1.00 51.51 H new ATOM 0 HG2 GLN A 60 -10.698 -30.778 6.999 1.00 11.04 H new ATOM 0 HG3 GLN A 60 -12.018 -31.661 7.739 1.00 11.04 H new ATOM 0 HE21 GLN A 60 -12.182 -29.523 5.771 1.00 15.44 H new ATOM 0 HE22 GLN A 60 -13.153 -28.247 6.514 1.00 15.44 H new ATOM 961 N GLY A 61 -8.002 -30.706 10.992 1.00 31.32 N ATOM 962 CA GLY A 61 -7.359 -30.872 12.293 1.00 22.52 C ATOM 963 C GLY A 61 -6.869 -29.559 12.906 1.00 12.12 C ATOM 964 O GLY A 61 -6.866 -29.401 14.128 1.00 72.55 O ATOM 0 H GLY A 61 -7.601 -31.274 10.246 1.00 31.32 H new ATOM 0 HA2 GLY A 61 -8.063 -31.343 12.979 1.00 22.52 H new ATOM 0 HA3 GLY A 61 -6.513 -31.552 12.187 1.00 22.52 H new ATOM 968 N MET A 62 -6.435 -28.621 12.063 1.00 24.52 N ATOM 969 CA MET A 62 -6.025 -27.295 12.532 1.00 61.42 C ATOM 970 C MET A 62 -7.216 -26.329 12.515 1.00 43.03 C ATOM 971 O MET A 62 -7.382 -25.497 13.407 1.00 61.24 O ATOM 972 CB MET A 62 -4.888 -26.742 11.658 1.00 32.01 C ATOM 973 CG MET A 62 -3.623 -27.594 11.670 1.00 61.32 C ATOM 974 SD MET A 62 -2.294 -26.878 10.675 1.00 4.40 S ATOM 975 CE MET A 62 -3.064 -26.817 9.057 1.00 71.25 C ATOM 0 H MET A 62 -6.358 -28.753 11.055 1.00 24.52 H new ATOM 0 HA MET A 62 -5.665 -27.391 13.556 1.00 61.42 H new ATOM 0 HB2 MET A 62 -5.244 -26.653 10.631 1.00 32.01 H new ATOM 0 HB3 MET A 62 -4.639 -25.737 11.997 1.00 32.01 H new ATOM 0 HG2 MET A 62 -3.279 -27.713 12.697 1.00 61.32 H new ATOM 0 HG3 MET A 62 -3.857 -28.590 11.295 1.00 61.32 H new ATOM 0 HE1 MET A 62 -2.294 -26.726 8.291 1.00 71.25 H new ATOM 0 HE2 MET A 62 -3.635 -27.731 8.891 1.00 71.25 H new ATOM 0 HE3 MET A 62 -3.732 -25.957 9.004 1.00 71.25 H new ATOM 985 N LEU A 63 -8.056 -26.476 11.498 1.00 10.22 N ATOM 986 CA LEU A 63 -9.174 -25.567 11.261 1.00 34.30 C ATOM 987 C LEU A 63 -10.194 -25.607 12.408 1.00 4.03 C ATOM 988 O LEU A 63 -10.746 -24.575 12.795 1.00 52.41 O ATOM 989 CB LEU A 63 -9.863 -25.922 9.934 1.00 72.53 C ATOM 990 CG LEU A 63 -10.659 -24.780 9.295 1.00 1.14 C ATOM 991 CD1 LEU A 63 -9.717 -23.627 8.959 1.00 70.45 C ATOM 992 CD2 LEU A 63 -11.402 -25.264 8.049 1.00 31.25 C ATOM 0 H LEU A 63 -7.983 -27.228 10.813 1.00 10.22 H new ATOM 0 HA LEU A 63 -8.774 -24.554 11.208 1.00 34.30 H new ATOM 0 HB2 LEU A 63 -9.105 -26.258 9.226 1.00 72.53 H new ATOM 0 HB3 LEU A 63 -10.535 -26.763 10.104 1.00 72.53 H new ATOM 0 HG LEU A 63 -11.407 -24.428 10.005 1.00 1.14 H new ATOM 0 HD11 LEU A 63 -10.284 -22.815 8.504 1.00 70.45 H new ATOM 0 HD12 LEU A 63 -9.239 -23.270 9.871 1.00 70.45 H new ATOM 0 HD13 LEU A 63 -8.954 -23.972 8.261 1.00 70.45 H new ATOM 0 HD21 LEU A 63 -11.960 -24.435 7.613 1.00 31.25 H new ATOM 0 HD22 LEU A 63 -10.684 -25.641 7.321 1.00 31.25 H new ATOM 0 HD23 LEU A 63 -12.093 -26.061 8.324 1.00 31.25 H new ATOM 1004 N ARG A 64 -10.425 -26.802 12.949 1.00 50.42 N ATOM 1005 CA ARG A 64 -11.395 -27.000 14.034 1.00 35.42 C ATOM 1006 C ARG A 64 -11.088 -26.117 15.256 1.00 14.44 C ATOM 1007 O ARG A 64 -11.997 -25.570 15.881 1.00 32.51 O ATOM 1008 CB ARG A 64 -11.426 -28.477 14.453 1.00 4.53 C ATOM 1009 CG ARG A 64 -10.103 -28.988 15.024 1.00 60.35 C ATOM 1010 CD ARG A 64 -10.198 -30.440 15.483 1.00 4.11 C ATOM 1011 NE ARG A 64 -11.243 -30.629 16.491 1.00 24.11 N ATOM 1012 CZ ARG A 64 -11.180 -31.486 17.475 1.00 50.55 C ATOM 1013 NH1 ARG A 64 -10.106 -32.183 17.681 1.00 73.05 N ATOM 1014 NH2 ARG A 64 -12.188 -31.616 18.277 1.00 33.13 N ATOM 0 H ARG A 64 -9.952 -27.656 12.654 1.00 50.42 H new ATOM 0 HA ARG A 64 -12.372 -26.705 13.652 1.00 35.42 H new ATOM 0 HB2 ARG A 64 -12.210 -28.617 15.198 1.00 4.53 H new ATOM 0 HB3 ARG A 64 -11.696 -29.084 13.589 1.00 4.53 H new ATOM 0 HG2 ARG A 64 -9.323 -28.898 14.268 1.00 60.35 H new ATOM 0 HG3 ARG A 64 -9.805 -28.361 15.865 1.00 60.35 H new ATOM 0 HD2 ARG A 64 -10.403 -31.079 14.624 1.00 4.11 H new ATOM 0 HD3 ARG A 64 -9.238 -30.754 15.893 1.00 4.11 H new ATOM 0 HE ARG A 64 -12.080 -30.050 16.420 1.00 24.11 H new ATOM 0 HH11 ARG A 64 -9.297 -32.066 17.071 1.00 73.05 H new ATOM 0 HH12 ARG A 64 -10.070 -32.849 18.453 1.00 73.05 H new ATOM 0 HH21 ARG A 64 -13.026 -31.051 18.139 1.00 33.13 H new ATOM 0 HH22 ARG A 64 -12.144 -32.284 19.047 1.00 33.13 H new ATOM 1028 N LYS A 65 -9.805 -25.976 15.592 1.00 51.22 N ATOM 1029 CA LYS A 65 -9.397 -25.162 16.743 1.00 40.53 C ATOM 1030 C LYS A 65 -9.138 -23.698 16.340 1.00 11.30 C ATOM 1031 O LYS A 65 -8.833 -22.856 17.184 1.00 11.41 O ATOM 1032 CB LYS A 65 -8.171 -25.792 17.441 1.00 74.13 C ATOM 1033 CG LYS A 65 -6.956 -26.051 16.542 1.00 43.52 C ATOM 1034 CD LYS A 65 -6.097 -24.803 16.336 1.00 22.22 C ATOM 1035 CE LYS A 65 -4.825 -25.115 15.551 1.00 51.42 C ATOM 1036 NZ LYS A 65 -3.937 -23.929 15.429 1.00 62.41 N ATOM 0 H LYS A 65 -9.032 -26.411 15.088 1.00 51.22 H new ATOM 0 HA LYS A 65 -10.220 -25.148 17.458 1.00 40.53 H new ATOM 0 HB2 LYS A 65 -7.864 -25.137 18.257 1.00 74.13 H new ATOM 0 HB3 LYS A 65 -8.477 -26.737 17.889 1.00 74.13 H new ATOM 0 HG2 LYS A 65 -6.345 -26.839 16.982 1.00 43.52 H new ATOM 0 HG3 LYS A 65 -7.297 -26.416 15.573 1.00 43.52 H new ATOM 0 HD2 LYS A 65 -6.676 -24.047 15.805 1.00 22.22 H new ATOM 0 HD3 LYS A 65 -5.832 -24.380 17.305 1.00 22.22 H new ATOM 0 HE2 LYS A 65 -4.284 -25.923 16.044 1.00 51.42 H new ATOM 0 HE3 LYS A 65 -5.092 -25.471 14.556 1.00 51.42 H new ATOM 0 HZ1 LYS A 65 -3.398 -23.988 14.541 1.00 62.41 H new ATOM 0 HZ2 LYS A 65 -4.513 -23.063 15.427 1.00 62.41 H new ATOM 0 HZ3 LYS A 65 -3.278 -23.905 16.233 1.00 62.41 H new ATOM 1050 N LEU A 66 -9.263 -23.407 15.044 1.00 62.54 N ATOM 1051 CA LEU A 66 -9.170 -22.031 14.536 1.00 33.43 C ATOM 1052 C LEU A 66 -10.563 -21.400 14.399 1.00 62.54 C ATOM 1053 O LEU A 66 -10.975 -20.588 15.229 1.00 44.44 O ATOM 1054 CB LEU A 66 -8.464 -22.004 13.167 1.00 35.33 C ATOM 1055 CG LEU A 66 -6.966 -22.340 13.182 1.00 22.03 C ATOM 1056 CD1 LEU A 66 -6.423 -22.427 11.755 1.00 5.44 C ATOM 1057 CD2 LEU A 66 -6.191 -21.301 13.991 1.00 75.01 C ATOM 0 H LEU A 66 -9.430 -24.107 14.321 1.00 62.54 H new ATOM 0 HA LEU A 66 -8.588 -21.454 15.254 1.00 33.43 H new ATOM 0 HB2 LEU A 66 -8.969 -22.708 12.505 1.00 35.33 H new ATOM 0 HB3 LEU A 66 -8.590 -21.012 12.733 1.00 35.33 H new ATOM 0 HG LEU A 66 -6.835 -23.311 13.659 1.00 22.03 H new ATOM 0 HD11 LEU A 66 -5.360 -22.666 11.784 1.00 5.44 H new ATOM 0 HD12 LEU A 66 -6.955 -23.207 11.210 1.00 5.44 H new ATOM 0 HD13 LEU A 66 -6.566 -21.471 11.252 1.00 5.44 H new ATOM 0 HD21 LEU A 66 -5.131 -21.556 13.990 1.00 75.01 H new ATOM 0 HD22 LEU A 66 -6.328 -20.316 13.544 1.00 75.01 H new ATOM 0 HD23 LEU A 66 -6.561 -21.289 15.016 1.00 75.01 H new ATOM 1069 N ASP A 67 -11.283 -21.816 13.350 1.00 2.44 N ATOM 1070 CA ASP A 67 -12.581 -21.237 12.977 1.00 43.31 C ATOM 1071 C ASP A 67 -12.548 -19.697 13.068 1.00 5.41 C ATOM 1072 O ASP A 67 -12.945 -19.105 14.076 1.00 11.33 O ATOM 1073 CB ASP A 67 -13.712 -21.827 13.840 1.00 60.22 C ATOM 1074 CG ASP A 67 -14.997 -22.025 13.051 1.00 1.24 C ATOM 1075 OD1 ASP A 67 -15.443 -21.077 12.376 1.00 62.34 O ATOM 1076 OD2 ASP A 67 -15.566 -23.136 13.094 1.00 61.41 O ATOM 0 H ASP A 67 -10.980 -22.569 12.732 1.00 2.44 H new ATOM 0 HA ASP A 67 -12.784 -21.500 11.939 1.00 43.31 H new ATOM 0 HB2 ASP A 67 -13.390 -22.783 14.252 1.00 60.22 H new ATOM 0 HB3 ASP A 67 -13.905 -21.165 14.684 1.00 60.22 H new ATOM 1081 N ILE A 68 -12.051 -19.067 12.008 1.00 71.43 N ATOM 1082 CA ILE A 68 -11.805 -17.619 11.993 1.00 72.51 C ATOM 1083 C ILE A 68 -13.096 -16.811 12.226 1.00 64.22 C ATOM 1084 O ILE A 68 -14.007 -16.812 11.398 1.00 50.34 O ATOM 1085 CB ILE A 68 -11.134 -17.179 10.658 1.00 22.52 C ATOM 1086 CG1 ILE A 68 -9.671 -17.670 10.573 1.00 42.42 C ATOM 1087 CG2 ILE A 68 -11.191 -15.658 10.484 1.00 72.21 C ATOM 1088 CD1 ILE A 68 -9.498 -19.177 10.616 1.00 1.01 C ATOM 0 H ILE A 68 -11.807 -19.538 11.137 1.00 71.43 H new ATOM 0 HA ILE A 68 -11.124 -17.407 12.817 1.00 72.51 H new ATOM 0 HB ILE A 68 -11.697 -17.641 9.847 1.00 22.52 H new ATOM 0 HG12 ILE A 68 -9.231 -17.295 9.649 1.00 42.42 H new ATOM 0 HG13 ILE A 68 -9.108 -17.231 11.396 1.00 42.42 H new ATOM 0 HG21 ILE A 68 -10.715 -15.381 9.543 1.00 72.21 H new ATOM 0 HG22 ILE A 68 -12.231 -15.332 10.474 1.00 72.21 H new ATOM 0 HG23 ILE A 68 -10.668 -15.177 11.311 1.00 72.21 H new ATOM 0 HD11 ILE A 68 -8.438 -19.424 10.550 1.00 1.01 H new ATOM 0 HD12 ILE A 68 -9.903 -19.563 11.551 1.00 1.01 H new ATOM 0 HD13 ILE A 68 -10.028 -19.628 9.777 1.00 1.01 H new ATOM 1100 N LYS A 69 -13.153 -16.116 13.362 1.00 4.24 N ATOM 1101 CA LYS A 69 -14.322 -15.308 13.727 1.00 51.14 C ATOM 1102 C LYS A 69 -14.070 -13.798 13.531 1.00 45.30 C ATOM 1103 O LYS A 69 -14.999 -12.994 13.636 1.00 13.32 O ATOM 1104 CB LYS A 69 -14.755 -15.626 15.176 1.00 14.31 C ATOM 1105 CG LYS A 69 -13.611 -15.667 16.196 1.00 50.24 C ATOM 1106 CD LYS A 69 -13.227 -14.284 16.720 1.00 4.34 C ATOM 1107 CE LYS A 69 -14.301 -13.701 17.630 1.00 12.50 C ATOM 1108 NZ LYS A 69 -14.546 -14.561 18.818 1.00 61.34 N ATOM 0 H LYS A 69 -12.400 -16.095 14.050 1.00 4.24 H new ATOM 0 HA LYS A 69 -15.137 -15.574 13.054 1.00 51.14 H new ATOM 0 HB2 LYS A 69 -15.481 -14.878 15.495 1.00 14.31 H new ATOM 0 HB3 LYS A 69 -15.265 -16.589 15.185 1.00 14.31 H new ATOM 0 HG2 LYS A 69 -13.902 -16.299 17.035 1.00 50.24 H new ATOM 0 HG3 LYS A 69 -12.738 -16.130 15.736 1.00 50.24 H new ATOM 0 HD2 LYS A 69 -12.286 -14.351 17.266 1.00 4.34 H new ATOM 0 HD3 LYS A 69 -13.060 -13.611 15.879 1.00 4.34 H new ATOM 0 HE2 LYS A 69 -13.999 -12.706 17.958 1.00 12.50 H new ATOM 0 HE3 LYS A 69 -15.228 -13.584 17.069 1.00 12.50 H new ATOM 0 HZ1 LYS A 69 -15.022 -14.005 19.557 1.00 61.34 H new ATOM 0 HZ2 LYS A 69 -15.149 -15.364 18.547 1.00 61.34 H new ATOM 0 HZ3 LYS A 69 -13.639 -14.916 19.182 1.00 61.34 H new ATOM 1122 N ASN A 70 -12.818 -13.415 13.251 1.00 2.14 N ATOM 1123 CA ASN A 70 -12.491 -12.017 12.911 1.00 22.21 C ATOM 1124 C ASN A 70 -11.078 -11.891 12.309 1.00 14.15 C ATOM 1125 O ASN A 70 -10.355 -12.882 12.176 1.00 30.24 O ATOM 1126 CB ASN A 70 -12.625 -11.093 14.136 1.00 25.34 C ATOM 1127 CG ASN A 70 -11.511 -11.257 15.160 1.00 45.31 C ATOM 1128 OD1 ASN A 70 -11.042 -12.468 15.362 1.00 0.44 O flip ATOM 1129 ND2 ASN A 70 -11.081 -10.290 15.779 1.00 44.22 N flip ATOM 0 H ASN A 70 -12.017 -14.046 13.252 1.00 2.14 H new ATOM 0 HA ASN A 70 -13.213 -11.702 12.157 1.00 22.21 H new ATOM 0 HB2 ASN A 70 -12.643 -10.057 13.797 1.00 25.34 H new ATOM 0 HB3 ASN A 70 -13.582 -11.286 14.621 1.00 25.34 H new ATOM 0 HD21 ASN A 70 -11.463 -9.361 15.603 1.00 44.22 H new ATOM 0 HD22 ASN A 70 -10.341 -10.415 16.470 1.00 44.22 H new ATOM 1136 N GLU A 71 -10.694 -10.658 11.964 1.00 52.35 N ATOM 1137 CA GLU A 71 -9.389 -10.378 11.342 1.00 44.03 C ATOM 1138 C GLU A 71 -8.213 -10.940 12.159 1.00 11.41 C ATOM 1139 O GLU A 71 -7.237 -11.436 11.596 1.00 10.43 O ATOM 1140 CB GLU A 71 -9.191 -8.865 11.160 1.00 4.34 C ATOM 1141 CG GLU A 71 -7.848 -8.501 10.522 1.00 64.53 C ATOM 1142 CD GLU A 71 -7.504 -7.021 10.616 1.00 71.10 C ATOM 1143 OE1 GLU A 71 -8.062 -6.319 11.487 1.00 4.42 O ATOM 1144 OE2 GLU A 71 -6.636 -6.565 9.841 1.00 32.51 O ATOM 0 H GLU A 71 -11.272 -9.829 12.105 1.00 52.35 H new ATOM 0 HA GLU A 71 -9.397 -10.876 10.373 1.00 44.03 H new ATOM 0 HB2 GLU A 71 -9.998 -8.472 10.541 1.00 4.34 H new ATOM 0 HB3 GLU A 71 -9.268 -8.376 12.131 1.00 4.34 H new ATOM 0 HG2 GLU A 71 -7.059 -9.079 11.003 1.00 64.53 H new ATOM 0 HG3 GLU A 71 -7.863 -8.795 9.472 1.00 64.53 H new ATOM 1151 N ASP A 72 -8.303 -10.852 13.485 1.00 33.35 N ATOM 1152 CA ASP A 72 -7.228 -11.321 14.367 1.00 4.25 C ATOM 1153 C ASP A 72 -6.833 -12.778 14.062 1.00 53.01 C ATOM 1154 O ASP A 72 -5.651 -13.127 14.071 1.00 61.25 O ATOM 1155 CB ASP A 72 -7.647 -11.174 15.831 1.00 52.12 C ATOM 1156 CG ASP A 72 -6.573 -11.649 16.793 1.00 43.44 C ATOM 1157 OD1 ASP A 72 -5.451 -11.101 16.756 1.00 45.34 O ATOM 1158 OD2 ASP A 72 -6.840 -12.584 17.580 1.00 24.43 O ATOM 0 H ASP A 72 -9.108 -10.461 13.975 1.00 33.35 H new ATOM 0 HA ASP A 72 -6.351 -10.701 14.182 1.00 4.25 H new ATOM 0 HB2 ASP A 72 -7.878 -10.129 16.036 1.00 52.12 H new ATOM 0 HB3 ASP A 72 -8.561 -11.742 16.003 1.00 52.12 H new ATOM 1163 N ASP A 73 -7.823 -13.617 13.769 1.00 43.24 N ATOM 1164 CA ASP A 73 -7.558 -15.014 13.421 1.00 30.21 C ATOM 1165 C ASP A 73 -6.865 -15.114 12.052 1.00 63.22 C ATOM 1166 O ASP A 73 -6.020 -15.982 11.832 1.00 64.25 O ATOM 1167 CB ASP A 73 -8.856 -15.821 13.416 1.00 73.14 C ATOM 1168 CG ASP A 73 -9.672 -15.620 14.679 1.00 14.30 C ATOM 1169 OD1 ASP A 73 -9.187 -15.984 15.773 1.00 25.25 O ATOM 1170 OD2 ASP A 73 -10.805 -15.108 14.579 1.00 4.23 O ATOM 0 H ASP A 73 -8.810 -13.359 13.765 1.00 43.24 H new ATOM 0 HA ASP A 73 -6.891 -15.430 14.176 1.00 30.21 H new ATOM 0 HB2 ASP A 73 -9.455 -15.534 12.551 1.00 73.14 H new ATOM 0 HB3 ASP A 73 -8.621 -16.879 13.304 1.00 73.14 H new ATOM 1175 N VAL A 74 -7.221 -14.211 11.135 1.00 24.01 N ATOM 1176 CA VAL A 74 -6.559 -14.137 9.827 1.00 4.42 C ATOM 1177 C VAL A 74 -5.064 -13.819 10.002 1.00 75.31 C ATOM 1178 O VAL A 74 -4.207 -14.372 9.310 1.00 34.32 O ATOM 1179 CB VAL A 74 -7.217 -13.069 8.913 1.00 30.44 C ATOM 1180 CG1 VAL A 74 -6.528 -13.012 7.550 1.00 64.04 C ATOM 1181 CG2 VAL A 74 -8.714 -13.343 8.754 1.00 14.33 C ATOM 0 H VAL A 74 -7.961 -13.523 11.272 1.00 24.01 H new ATOM 0 HA VAL A 74 -6.671 -15.110 9.348 1.00 4.42 H new ATOM 0 HB VAL A 74 -7.096 -12.096 9.390 1.00 30.44 H new ATOM 0 HG11 VAL A 74 -7.009 -12.255 6.930 1.00 64.04 H new ATOM 0 HG12 VAL A 74 -5.477 -12.756 7.684 1.00 64.04 H new ATOM 0 HG13 VAL A 74 -6.606 -13.984 7.062 1.00 64.04 H new ATOM 0 HG21 VAL A 74 -9.157 -12.583 8.110 1.00 14.33 H new ATOM 0 HG22 VAL A 74 -8.858 -14.327 8.307 1.00 14.33 H new ATOM 0 HG23 VAL A 74 -9.195 -13.315 9.732 1.00 14.33 H new ATOM 1191 N LYS A 75 -4.759 -12.931 10.948 1.00 73.33 N ATOM 1192 CA LYS A 75 -3.368 -12.634 11.308 1.00 73.05 C ATOM 1193 C LYS A 75 -2.679 -13.890 11.877 1.00 71.34 C ATOM 1194 O LYS A 75 -1.508 -14.156 11.600 1.00 72.55 O ATOM 1195 CB LYS A 75 -3.311 -11.489 12.331 1.00 2.21 C ATOM 1196 CG LYS A 75 -4.030 -10.218 11.879 1.00 54.43 C ATOM 1197 CD LYS A 75 -3.872 -9.083 12.891 1.00 13.12 C ATOM 1198 CE LYS A 75 -4.737 -7.877 12.537 1.00 74.44 C ATOM 1199 NZ LYS A 75 -4.382 -7.288 11.215 1.00 43.44 N ATOM 0 H LYS A 75 -5.453 -12.405 11.479 1.00 73.33 H new ATOM 0 HA LYS A 75 -2.839 -12.324 10.407 1.00 73.05 H new ATOM 0 HB2 LYS A 75 -3.751 -11.830 13.268 1.00 2.21 H new ATOM 0 HB3 LYS A 75 -2.268 -11.251 12.537 1.00 2.21 H new ATOM 0 HG2 LYS A 75 -3.635 -9.901 10.914 1.00 54.43 H new ATOM 0 HG3 LYS A 75 -5.089 -10.432 11.735 1.00 54.43 H new ATOM 0 HD2 LYS A 75 -4.141 -9.443 13.884 1.00 13.12 H new ATOM 0 HD3 LYS A 75 -2.826 -8.779 12.934 1.00 13.12 H new ATOM 0 HE2 LYS A 75 -5.785 -8.176 12.528 1.00 74.44 H new ATOM 0 HE3 LYS A 75 -4.629 -7.117 13.311 1.00 74.44 H new ATOM 0 HZ1 LYS A 75 -4.186 -6.273 11.328 1.00 43.44 H new ATOM 0 HZ2 LYS A 75 -3.537 -7.763 10.839 1.00 43.44 H new ATOM 0 HZ3 LYS A 75 -5.174 -7.416 10.554 1.00 43.44 H new ATOM 1213 N SER A 76 -3.426 -14.661 12.670 1.00 35.32 N ATOM 1214 CA SER A 76 -2.948 -15.953 13.188 1.00 40.35 C ATOM 1215 C SER A 76 -2.679 -16.950 12.045 1.00 52.41 C ATOM 1216 O SER A 76 -1.758 -17.770 12.122 1.00 62.52 O ATOM 1217 CB SER A 76 -3.973 -16.542 14.171 1.00 30.22 C ATOM 1218 OG SER A 76 -3.559 -17.807 14.674 1.00 0.41 O ATOM 0 H SER A 76 -4.369 -14.415 12.971 1.00 35.32 H new ATOM 0 HA SER A 76 -2.008 -15.778 13.711 1.00 40.35 H new ATOM 0 HB2 SER A 76 -4.118 -15.851 15.001 1.00 30.22 H new ATOM 0 HB3 SER A 76 -4.936 -16.647 13.672 1.00 30.22 H new ATOM 0 HG SER A 76 -4.235 -18.149 15.296 1.00 0.41 H new ATOM 1224 N LEU A 77 -3.484 -16.875 10.980 1.00 31.14 N ATOM 1225 CA LEU A 77 -3.267 -17.703 9.784 1.00 54.24 C ATOM 1226 C LEU A 77 -1.917 -17.380 9.128 1.00 42.20 C ATOM 1227 O LEU A 77 -1.207 -18.278 8.674 1.00 0.35 O ATOM 1228 CB LEU A 77 -4.395 -17.499 8.762 1.00 25.11 C ATOM 1229 CG LEU A 77 -5.789 -17.963 9.207 1.00 52.20 C ATOM 1230 CD1 LEU A 77 -6.823 -17.674 8.120 1.00 21.23 C ATOM 1231 CD2 LEU A 77 -5.773 -19.450 9.563 1.00 71.24 C ATOM 0 H LEU A 77 -4.290 -16.252 10.919 1.00 31.14 H new ATOM 0 HA LEU A 77 -3.264 -18.745 10.105 1.00 54.24 H new ATOM 0 HB2 LEU A 77 -4.447 -16.439 8.513 1.00 25.11 H new ATOM 0 HB3 LEU A 77 -4.131 -18.029 7.847 1.00 25.11 H new ATOM 0 HG LEU A 77 -6.070 -17.404 10.100 1.00 52.20 H new ATOM 0 HD11 LEU A 77 -7.805 -18.010 8.453 1.00 21.23 H new ATOM 0 HD12 LEU A 77 -6.854 -16.602 7.923 1.00 21.23 H new ATOM 0 HD13 LEU A 77 -6.549 -18.203 7.207 1.00 21.23 H new ATOM 0 HD21 LEU A 77 -6.770 -19.760 9.876 1.00 71.24 H new ATOM 0 HD22 LEU A 77 -5.470 -20.030 8.691 1.00 71.24 H new ATOM 0 HD23 LEU A 77 -5.068 -19.622 10.376 1.00 71.24 H new ATOM 1243 N SER A 78 -1.568 -16.090 9.088 1.00 63.24 N ATOM 1244 CA SER A 78 -0.281 -15.644 8.527 1.00 11.32 C ATOM 1245 C SER A 78 0.894 -16.401 9.163 1.00 41.04 C ATOM 1246 O SER A 78 1.854 -16.774 8.486 1.00 54.13 O ATOM 1247 CB SER A 78 -0.091 -14.134 8.737 1.00 71.23 C ATOM 1248 OG SER A 78 1.168 -13.700 8.246 1.00 21.31 O ATOM 0 H SER A 78 -2.157 -15.333 9.437 1.00 63.24 H new ATOM 0 HA SER A 78 -0.298 -15.859 7.458 1.00 11.32 H new ATOM 0 HB2 SER A 78 -0.888 -13.591 8.230 1.00 71.23 H new ATOM 0 HB3 SER A 78 -0.170 -13.899 9.798 1.00 71.23 H new ATOM 0 HG SER A 78 1.261 -12.735 8.391 1.00 21.31 H new ATOM 1254 N ARG A 79 0.792 -16.650 10.468 1.00 33.30 N ATOM 1255 CA ARG A 79 1.815 -17.408 11.197 1.00 51.11 C ATOM 1256 C ARG A 79 2.003 -18.808 10.583 1.00 15.22 C ATOM 1257 O ARG A 79 3.127 -19.293 10.441 1.00 31.51 O ATOM 1258 CB ARG A 79 1.430 -17.531 12.679 1.00 73.31 C ATOM 1259 CG ARG A 79 1.091 -16.198 13.341 1.00 1.12 C ATOM 1260 CD ARG A 79 2.271 -15.229 13.339 1.00 11.14 C ATOM 1261 NE ARG A 79 1.911 -13.934 13.917 1.00 71.50 N ATOM 1262 CZ ARG A 79 2.764 -13.106 14.461 1.00 32.21 C ATOM 1263 NH1 ARG A 79 4.018 -13.410 14.543 1.00 3.22 N ATOM 1264 NH2 ARG A 79 2.351 -11.970 14.924 1.00 22.12 N ATOM 0 H ARG A 79 0.011 -16.338 11.045 1.00 33.30 H new ATOM 0 HA ARG A 79 2.759 -16.868 11.118 1.00 51.11 H new ATOM 0 HB2 ARG A 79 0.573 -18.198 12.768 1.00 73.31 H new ATOM 0 HB3 ARG A 79 2.253 -17.996 13.221 1.00 73.31 H new ATOM 0 HG2 ARG A 79 0.249 -15.741 12.821 1.00 1.12 H new ATOM 0 HG3 ARG A 79 0.773 -16.376 14.368 1.00 1.12 H new ATOM 0 HD2 ARG A 79 3.098 -15.662 13.903 1.00 11.14 H new ATOM 0 HD3 ARG A 79 2.622 -15.086 12.317 1.00 11.14 H new ATOM 0 HE ARG A 79 0.929 -13.659 13.894 1.00 71.50 H new ATOM 0 HH11 ARG A 79 4.351 -14.304 14.181 1.00 3.22 H new ATOM 0 HH12 ARG A 79 4.674 -12.756 14.969 1.00 3.22 H new ATOM 0 HH21 ARG A 79 1.363 -11.724 14.864 1.00 22.12 H new ATOM 0 HH22 ARG A 79 3.013 -11.321 15.349 1.00 22.12 H new ATOM 1278 N VAL A 80 0.891 -19.446 10.209 1.00 42.42 N ATOM 1279 CA VAL A 80 0.929 -20.760 9.552 1.00 13.54 C ATOM 1280 C VAL A 80 1.467 -20.636 8.121 1.00 54.21 C ATOM 1281 O VAL A 80 2.269 -21.457 7.672 1.00 55.43 O ATOM 1282 CB VAL A 80 -0.473 -21.422 9.509 1.00 63.20 C ATOM 1283 CG1 VAL A 80 -0.407 -22.812 8.871 1.00 30.41 C ATOM 1284 CG2 VAL A 80 -1.073 -21.498 10.909 1.00 23.41 C ATOM 0 H VAL A 80 -0.049 -19.075 10.349 1.00 42.42 H new ATOM 0 HA VAL A 80 1.594 -21.390 10.142 1.00 13.54 H new ATOM 0 HB VAL A 80 -1.121 -20.801 8.890 1.00 63.20 H new ATOM 0 HG11 VAL A 80 -1.404 -23.252 8.854 1.00 30.41 H new ATOM 0 HG12 VAL A 80 -0.031 -22.727 7.852 1.00 30.41 H new ATOM 0 HG13 VAL A 80 0.261 -23.448 9.452 1.00 30.41 H new ATOM 0 HG21 VAL A 80 -2.056 -21.965 10.858 1.00 23.41 H new ATOM 0 HG22 VAL A 80 -0.422 -22.091 11.552 1.00 23.41 H new ATOM 0 HG23 VAL A 80 -1.170 -20.492 11.318 1.00 23.41 H new ATOM 1294 N MET A 81 1.031 -19.589 7.422 1.00 73.00 N ATOM 1295 CA MET A 81 1.481 -19.317 6.052 1.00 54.52 C ATOM 1296 C MET A 81 3.018 -19.241 5.974 1.00 4.11 C ATOM 1297 O MET A 81 3.634 -19.761 5.042 1.00 70.52 O ATOM 1298 CB MET A 81 0.843 -18.014 5.547 1.00 54.05 C ATOM 1299 CG MET A 81 -0.675 -18.068 5.541 1.00 54.04 C ATOM 1300 SD MET A 81 -1.299 -19.526 4.686 1.00 64.43 S ATOM 1301 CE MET A 81 -3.031 -19.453 5.125 1.00 62.23 C ATOM 0 H MET A 81 0.362 -18.909 7.783 1.00 73.00 H new ATOM 0 HA MET A 81 1.163 -20.140 5.412 1.00 54.52 H new ATOM 0 HB2 MET A 81 1.170 -17.186 6.176 1.00 54.05 H new ATOM 0 HB3 MET A 81 1.199 -17.807 4.538 1.00 54.05 H new ATOM 0 HG2 MET A 81 -1.041 -18.066 6.568 1.00 54.04 H new ATOM 0 HG3 MET A 81 -1.067 -17.171 5.061 1.00 54.04 H new ATOM 0 HE1 MET A 81 -3.609 -20.060 4.428 1.00 62.23 H new ATOM 0 HE2 MET A 81 -3.166 -19.834 6.137 1.00 62.23 H new ATOM 0 HE3 MET A 81 -3.375 -18.420 5.077 1.00 62.23 H new ATOM 1311 N ILE A 82 3.627 -18.609 6.977 1.00 60.31 N ATOM 1312 CA ILE A 82 5.090 -18.547 7.093 1.00 23.31 C ATOM 1313 C ILE A 82 5.696 -19.951 7.308 1.00 4.42 C ATOM 1314 O ILE A 82 6.806 -20.241 6.857 1.00 41.41 O ATOM 1315 CB ILE A 82 5.511 -17.615 8.265 1.00 51.30 C ATOM 1316 CG1 ILE A 82 4.959 -16.193 8.044 1.00 15.13 C ATOM 1317 CG2 ILE A 82 7.032 -17.582 8.418 1.00 43.43 C ATOM 1318 CD1 ILE A 82 5.209 -15.242 9.202 1.00 42.43 C ATOM 0 H ILE A 82 3.129 -18.129 7.727 1.00 60.31 H new ATOM 0 HA ILE A 82 5.473 -18.142 6.157 1.00 23.31 H new ATOM 0 HB ILE A 82 5.088 -18.014 9.187 1.00 51.30 H new ATOM 0 HG12 ILE A 82 5.409 -15.777 7.143 1.00 15.13 H new ATOM 0 HG13 ILE A 82 3.886 -16.256 7.865 1.00 15.13 H new ATOM 0 HG21 ILE A 82 7.300 -16.923 9.244 1.00 43.43 H new ATOM 0 HG22 ILE A 82 7.399 -18.588 8.622 1.00 43.43 H new ATOM 0 HG23 ILE A 82 7.482 -17.211 7.497 1.00 43.43 H new ATOM 0 HD11 ILE A 82 4.790 -14.264 8.967 1.00 42.43 H new ATOM 0 HD12 ILE A 82 4.735 -15.633 10.102 1.00 42.43 H new ATOM 0 HD13 ILE A 82 6.282 -15.146 9.369 1.00 42.43 H new ATOM 1330 N HIS A 83 4.958 -20.823 7.998 1.00 55.25 N ATOM 1331 CA HIS A 83 5.416 -22.195 8.262 1.00 21.21 C ATOM 1332 C HIS A 83 5.329 -23.080 7.004 1.00 2.51 C ATOM 1333 O HIS A 83 6.073 -24.054 6.870 1.00 25.52 O ATOM 1334 CB HIS A 83 4.615 -22.822 9.412 1.00 61.52 C ATOM 1335 CG HIS A 83 4.741 -22.075 10.706 1.00 4.35 C ATOM 1336 ND1 HIS A 83 5.887 -21.402 11.081 1.00 5.31 N ATOM 1337 CD2 HIS A 83 3.850 -21.877 11.707 1.00 4.52 C ATOM 1338 CE1 HIS A 83 5.695 -20.824 12.248 1.00 43.22 C ATOM 1339 NE2 HIS A 83 4.470 -21.095 12.649 1.00 13.41 N ATOM 0 H HIS A 83 4.040 -20.606 8.386 1.00 55.25 H new ATOM 0 HA HIS A 83 6.465 -22.136 8.553 1.00 21.21 H new ATOM 0 HB2 HIS A 83 3.563 -22.868 9.129 1.00 61.52 H new ATOM 0 HB3 HIS A 83 4.950 -23.849 9.560 1.00 61.52 H new ATOM 0 HD2 HIS A 83 2.842 -22.262 11.755 1.00 4.52 H new ATOM 0 HE1 HIS A 83 6.419 -20.229 12.785 1.00 43.22 H new ATOM 0 HE2 HIS A 83 4.049 -20.775 13.521 1.00 13.41 H new ATOM 1348 N VAL A 84 4.402 -22.755 6.100 1.00 2.40 N ATOM 1349 CA VAL A 84 4.268 -23.484 4.827 1.00 33.21 C ATOM 1350 C VAL A 84 5.580 -23.449 4.020 1.00 2.00 C ATOM 1351 O VAL A 84 6.015 -24.463 3.466 1.00 44.13 O ATOM 1352 CB VAL A 84 3.121 -22.901 3.957 1.00 34.05 C ATOM 1353 CG1 VAL A 84 2.996 -23.656 2.631 1.00 4.34 C ATOM 1354 CG2 VAL A 84 1.796 -22.921 4.719 1.00 71.34 C ATOM 0 H VAL A 84 3.733 -21.995 6.221 1.00 2.40 H new ATOM 0 HA VAL A 84 4.032 -24.517 5.081 1.00 33.21 H new ATOM 0 HB VAL A 84 3.368 -21.864 3.730 1.00 34.05 H new ATOM 0 HG11 VAL A 84 2.185 -23.226 2.043 1.00 4.34 H new ATOM 0 HG12 VAL A 84 3.930 -23.574 2.076 1.00 4.34 H new ATOM 0 HG13 VAL A 84 2.783 -24.707 2.829 1.00 4.34 H new ATOM 0 HG21 VAL A 84 1.008 -22.508 4.089 1.00 71.34 H new ATOM 0 HG22 VAL A 84 1.546 -23.948 4.987 1.00 71.34 H new ATOM 0 HG23 VAL A 84 1.888 -22.322 5.625 1.00 71.34 H new ATOM 1364 N PHE A 85 6.215 -22.280 3.975 1.00 63.21 N ATOM 1365 CA PHE A 85 7.477 -22.104 3.242 1.00 43.32 C ATOM 1366 C PHE A 85 8.691 -22.563 4.068 1.00 65.04 C ATOM 1367 O PHE A 85 9.731 -21.904 4.088 1.00 43.24 O ATOM 1368 CB PHE A 85 7.644 -20.636 2.837 1.00 53.30 C ATOM 1369 CG PHE A 85 6.595 -20.157 1.866 1.00 13.14 C ATOM 1370 CD1 PHE A 85 6.495 -20.725 0.602 1.00 61.14 C ATOM 1371 CD2 PHE A 85 5.713 -19.144 2.212 1.00 73.52 C ATOM 1372 CE1 PHE A 85 5.539 -20.292 -0.292 1.00 3.20 C ATOM 1373 CE2 PHE A 85 4.756 -18.707 1.317 1.00 1.32 C ATOM 1374 CZ PHE A 85 4.669 -19.282 0.064 1.00 63.13 C ATOM 0 H PHE A 85 5.879 -21.435 4.437 1.00 63.21 H new ATOM 0 HA PHE A 85 7.431 -22.729 2.350 1.00 43.32 H new ATOM 0 HB2 PHE A 85 7.610 -20.014 3.732 1.00 53.30 H new ATOM 0 HB3 PHE A 85 8.629 -20.500 2.391 1.00 53.30 H new ATOM 0 HD1 PHE A 85 7.174 -21.515 0.316 1.00 61.14 H new ATOM 0 HD2 PHE A 85 5.775 -18.692 3.191 1.00 73.52 H new ATOM 0 HE1 PHE A 85 5.471 -20.743 -1.271 1.00 3.20 H new ATOM 0 HE2 PHE A 85 4.076 -17.916 1.597 1.00 1.32 H new ATOM 0 HZ PHE A 85 3.921 -18.941 -0.636 1.00 63.13 H new ATOM 1458 N TRP A 92 6.700 -25.716 -7.708 1.00 22.41 N ATOM 1459 CA TRP A 92 5.689 -24.701 -7.375 1.00 52.32 C ATOM 1460 C TRP A 92 4.556 -25.266 -6.495 1.00 2.44 C ATOM 1461 O TRP A 92 3.663 -24.527 -6.074 1.00 44.12 O ATOM 1462 CB TRP A 92 5.120 -24.088 -8.663 1.00 2.44 C ATOM 1463 CG TRP A 92 6.140 -23.306 -9.445 1.00 63.25 C ATOM 1464 CD1 TRP A 92 6.902 -23.754 -10.487 1.00 44.11 C ATOM 1465 CD2 TRP A 92 6.513 -21.937 -9.237 1.00 72.54 C ATOM 1466 NE1 TRP A 92 7.723 -22.748 -10.937 1.00 11.44 N ATOM 1467 CE2 TRP A 92 7.503 -21.625 -10.186 1.00 31.13 C ATOM 1468 CE3 TRP A 92 6.106 -20.946 -8.339 1.00 3.14 C ATOM 1469 CZ2 TRP A 92 8.090 -20.365 -10.264 1.00 40.13 C ATOM 1470 CZ3 TRP A 92 6.689 -19.695 -8.416 1.00 24.25 C ATOM 1471 CH2 TRP A 92 7.673 -19.414 -9.373 1.00 20.25 C ATOM 0 HA TRP A 92 6.183 -23.924 -6.791 1.00 52.32 H new ATOM 0 HB2 TRP A 92 4.721 -24.884 -9.292 1.00 2.44 H new ATOM 0 HB3 TRP A 92 4.286 -23.434 -8.409 1.00 2.44 H new ATOM 0 HD1 TRP A 92 6.865 -24.752 -10.897 1.00 44.11 H new ATOM 0 HE1 TRP A 92 8.389 -22.826 -11.706 1.00 11.44 H new ATOM 0 HE3 TRP A 92 5.349 -21.154 -7.598 1.00 3.14 H new ATOM 0 HZ2 TRP A 92 8.848 -20.146 -11.002 1.00 40.13 H new ATOM 0 HZ3 TRP A 92 6.381 -18.922 -7.728 1.00 24.25 H new ATOM 0 HH2 TRP A 92 8.111 -18.427 -9.408 1.00 20.25 H new ATOM 1482 N GLY A 93 4.603 -26.570 -6.204 1.00 2.43 N ATOM 1483 CA GLY A 93 3.615 -27.186 -5.316 1.00 3.14 C ATOM 1484 C GLY A 93 3.493 -26.472 -3.969 1.00 15.55 C ATOM 1485 O GLY A 93 2.402 -26.374 -3.402 1.00 62.04 O ATOM 0 H GLY A 93 5.307 -27.213 -6.567 1.00 2.43 H new ATOM 0 HA2 GLY A 93 2.643 -27.188 -5.809 1.00 3.14 H new ATOM 0 HA3 GLY A 93 3.888 -28.227 -5.145 1.00 3.14 H new ATOM 1489 N ARG A 94 4.620 -25.974 -3.458 1.00 73.12 N ATOM 1490 CA ARG A 94 4.631 -25.155 -2.236 1.00 2.43 C ATOM 1491 C ARG A 94 3.716 -23.923 -2.371 1.00 44.11 C ATOM 1492 O ARG A 94 2.962 -23.589 -1.453 1.00 22.32 O ATOM 1493 CB ARG A 94 6.067 -24.714 -1.911 1.00 60.11 C ATOM 1494 CG ARG A 94 6.810 -24.104 -3.098 1.00 40.12 C ATOM 1495 CD ARG A 94 8.231 -23.686 -2.733 1.00 44.01 C ATOM 1496 NE ARG A 94 9.000 -23.285 -3.913 1.00 0.11 N ATOM 1497 CZ ARG A 94 9.842 -22.286 -3.946 1.00 33.05 C ATOM 1498 NH1 ARG A 94 10.050 -21.557 -2.896 1.00 0.05 N ATOM 1499 NH2 ARG A 94 10.493 -22.021 -5.031 1.00 61.52 N ATOM 0 H ARG A 94 5.541 -26.122 -3.870 1.00 73.12 H new ATOM 0 HA ARG A 94 4.247 -25.767 -1.420 1.00 2.43 H new ATOM 0 HB2 ARG A 94 6.039 -23.986 -1.100 1.00 60.11 H new ATOM 0 HB3 ARG A 94 6.628 -25.575 -1.547 1.00 60.11 H new ATOM 0 HG2 ARG A 94 6.843 -24.826 -3.914 1.00 40.12 H new ATOM 0 HG3 ARG A 94 6.260 -23.236 -3.462 1.00 40.12 H new ATOM 0 HD2 ARG A 94 8.196 -22.859 -2.024 1.00 44.01 H new ATOM 0 HD3 ARG A 94 8.736 -24.513 -2.234 1.00 44.01 H new ATOM 0 HE ARG A 94 8.869 -23.823 -4.769 1.00 0.11 H new ATOM 0 HH11 ARG A 94 9.554 -21.759 -2.028 1.00 0.05 H new ATOM 0 HH12 ARG A 94 10.710 -20.781 -2.937 1.00 0.05 H new ATOM 0 HH21 ARG A 94 10.350 -22.592 -5.864 1.00 61.52 H new ATOM 0 HH22 ARG A 94 11.150 -21.241 -5.054 1.00 61.52 H new ATOM 1513 N ILE A 95 3.775 -23.262 -3.526 1.00 72.21 N ATOM 1514 CA ILE A 95 2.945 -22.081 -3.784 1.00 71.14 C ATOM 1515 C ILE A 95 1.464 -22.475 -3.851 1.00 70.22 C ATOM 1516 O ILE A 95 0.599 -21.801 -3.284 1.00 21.52 O ATOM 1517 CB ILE A 95 3.355 -21.378 -5.104 1.00 33.13 C ATOM 1518 CG1 ILE A 95 4.862 -21.060 -5.096 1.00 31.23 C ATOM 1519 CG2 ILE A 95 2.530 -20.105 -5.322 1.00 41.31 C ATOM 1520 CD1 ILE A 95 5.301 -20.152 -3.965 1.00 72.14 C ATOM 0 H ILE A 95 4.388 -23.522 -4.299 1.00 72.21 H new ATOM 0 HA ILE A 95 3.100 -21.384 -2.961 1.00 71.14 H new ATOM 0 HB ILE A 95 3.151 -22.056 -5.933 1.00 33.13 H new ATOM 0 HG12 ILE A 95 5.419 -21.995 -5.033 1.00 31.23 H new ATOM 0 HG13 ILE A 95 5.128 -20.594 -6.045 1.00 31.23 H new ATOM 0 HG21 ILE A 95 2.835 -19.629 -6.254 1.00 41.31 H new ATOM 0 HG22 ILE A 95 1.472 -20.362 -5.375 1.00 41.31 H new ATOM 0 HG23 ILE A 95 2.695 -19.418 -4.492 1.00 41.31 H new ATOM 0 HD11 ILE A 95 6.375 -19.979 -4.033 1.00 72.14 H new ATOM 0 HD12 ILE A 95 4.775 -19.200 -4.037 1.00 72.14 H new ATOM 0 HD13 ILE A 95 5.069 -20.623 -3.010 1.00 72.14 H new ATOM 1532 N VAL A 96 1.184 -23.585 -4.536 1.00 72.04 N ATOM 1533 CA VAL A 96 -0.173 -24.135 -4.589 1.00 63.33 C ATOM 1534 C VAL A 96 -0.693 -24.425 -3.176 1.00 43.44 C ATOM 1535 O VAL A 96 -1.841 -24.133 -2.855 1.00 23.31 O ATOM 1536 CB VAL A 96 -0.237 -25.441 -5.422 1.00 62.05 C ATOM 1537 CG1 VAL A 96 -1.676 -25.947 -5.535 1.00 3.14 C ATOM 1538 CG2 VAL A 96 0.370 -25.234 -6.804 1.00 13.22 C ATOM 0 H VAL A 96 1.876 -24.120 -5.061 1.00 72.04 H new ATOM 0 HA VAL A 96 -0.798 -23.383 -5.071 1.00 63.33 H new ATOM 0 HB VAL A 96 0.350 -26.199 -4.903 1.00 62.05 H new ATOM 0 HG11 VAL A 96 -1.694 -26.864 -6.124 1.00 3.14 H new ATOM 0 HG12 VAL A 96 -2.070 -26.148 -4.539 1.00 3.14 H new ATOM 0 HG13 VAL A 96 -2.290 -25.190 -6.023 1.00 3.14 H new ATOM 0 HG21 VAL A 96 0.313 -26.164 -7.369 1.00 13.22 H new ATOM 0 HG22 VAL A 96 -0.181 -24.455 -7.331 1.00 13.22 H new ATOM 0 HG23 VAL A 96 1.413 -24.934 -6.702 1.00 13.22 H new ATOM 1548 N THR A 97 0.173 -24.989 -2.335 1.00 72.42 N ATOM 1549 CA THR A 97 -0.191 -25.321 -0.952 1.00 35.22 C ATOM 1550 C THR A 97 -0.676 -24.080 -0.186 1.00 41.43 C ATOM 1551 O THR A 97 -1.710 -24.120 0.487 1.00 21.21 O ATOM 1552 CB THR A 97 1.000 -25.956 -0.186 1.00 52.42 C ATOM 1553 OG1 THR A 97 1.455 -27.142 -0.867 1.00 71.53 O ATOM 1554 CG2 THR A 97 0.610 -26.310 1.245 1.00 3.14 C ATOM 0 H THR A 97 1.133 -25.227 -2.584 1.00 72.42 H new ATOM 0 HA THR A 97 -1.003 -26.046 -1.010 1.00 35.22 H new ATOM 0 HB THR A 97 1.805 -25.221 -0.155 1.00 52.42 H new ATOM 0 HG1 THR A 97 1.804 -26.899 -1.750 1.00 71.53 H new ATOM 0 HG21 THR A 97 1.465 -26.753 1.756 1.00 3.14 H new ATOM 0 HG22 THR A 97 0.300 -25.407 1.772 1.00 3.14 H new ATOM 0 HG23 THR A 97 -0.214 -27.023 1.232 1.00 3.14 H new ATOM 1562 N LEU A 98 0.070 -22.979 -0.304 1.00 20.14 N ATOM 1563 CA LEU A 98 -0.293 -21.717 0.357 1.00 2.21 C ATOM 1564 C LEU A 98 -1.686 -21.233 -0.084 1.00 23.25 C ATOM 1565 O LEU A 98 -2.569 -20.995 0.742 1.00 11.02 O ATOM 1566 CB LEU A 98 0.746 -20.630 0.029 1.00 31.24 C ATOM 1567 CG LEU A 98 0.528 -19.287 0.747 1.00 70.14 C ATOM 1568 CD1 LEU A 98 0.845 -19.414 2.233 1.00 70.32 C ATOM 1569 CD2 LEU A 98 1.357 -18.174 0.105 1.00 63.43 C ATOM 0 H LEU A 98 0.930 -22.933 -0.851 1.00 20.14 H new ATOM 0 HA LEU A 98 -0.312 -21.901 1.431 1.00 2.21 H new ATOM 0 HB2 LEU A 98 1.737 -21.006 0.285 1.00 31.24 H new ATOM 0 HB3 LEU A 98 0.740 -20.455 -1.047 1.00 31.24 H new ATOM 0 HG LEU A 98 -0.523 -19.018 0.643 1.00 70.14 H new ATOM 0 HD11 LEU A 98 0.685 -18.453 2.723 1.00 70.32 H new ATOM 0 HD12 LEU A 98 0.193 -20.163 2.681 1.00 70.32 H new ATOM 0 HD13 LEU A 98 1.885 -19.716 2.359 1.00 70.32 H new ATOM 0 HD21 LEU A 98 1.181 -17.238 0.635 1.00 63.43 H new ATOM 0 HD22 LEU A 98 2.415 -18.430 0.161 1.00 63.43 H new ATOM 0 HD23 LEU A 98 1.066 -18.060 -0.939 1.00 63.43 H new ATOM 1581 N ILE A 99 -1.872 -21.104 -1.396 1.00 0.24 N ATOM 1582 CA ILE A 99 -3.130 -20.594 -1.958 1.00 62.10 C ATOM 1583 C ILE A 99 -4.310 -21.545 -1.685 1.00 30.11 C ATOM 1584 O ILE A 99 -5.428 -21.103 -1.405 1.00 23.11 O ATOM 1585 CB ILE A 99 -2.993 -20.347 -3.485 1.00 62.52 C ATOM 1586 CG1 ILE A 99 -1.794 -19.422 -3.762 1.00 52.22 C ATOM 1587 CG2 ILE A 99 -4.281 -19.748 -4.056 1.00 74.03 C ATOM 1588 CD1 ILE A 99 -1.536 -19.165 -5.233 1.00 12.14 C ATOM 0 H ILE A 99 -1.169 -21.345 -2.094 1.00 0.24 H new ATOM 0 HA ILE A 99 -3.339 -19.647 -1.460 1.00 62.10 H new ATOM 0 HB ILE A 99 -2.820 -21.303 -3.979 1.00 62.52 H new ATOM 0 HG12 ILE A 99 -1.962 -18.468 -3.262 1.00 52.22 H new ATOM 0 HG13 ILE A 99 -0.900 -19.861 -3.319 1.00 52.22 H new ATOM 0 HG21 ILE A 99 -4.162 -19.583 -5.127 1.00 74.03 H new ATOM 0 HG22 ILE A 99 -5.109 -20.435 -3.884 1.00 74.03 H new ATOM 0 HG23 ILE A 99 -4.490 -18.798 -3.564 1.00 74.03 H new ATOM 0 HD11 ILE A 99 -0.675 -18.505 -5.342 1.00 12.14 H new ATOM 0 HD12 ILE A 99 -1.334 -20.110 -5.738 1.00 12.14 H new ATOM 0 HD13 ILE A 99 -2.412 -18.695 -5.679 1.00 12.14 H new ATOM 1600 N SER A 100 -4.051 -22.852 -1.753 1.00 23.23 N ATOM 1601 CA SER A 100 -5.085 -23.868 -1.492 1.00 33.14 C ATOM 1602 C SER A 100 -5.593 -23.789 -0.049 1.00 21.21 C ATOM 1603 O SER A 100 -6.800 -23.819 0.193 1.00 71.30 O ATOM 1604 CB SER A 100 -4.554 -25.284 -1.772 1.00 22.12 C ATOM 1605 OG SER A 100 -4.242 -25.462 -3.146 1.00 51.21 O ATOM 0 H SER A 100 -3.136 -23.237 -1.986 1.00 23.23 H new ATOM 0 HA SER A 100 -5.915 -23.660 -2.168 1.00 33.14 H new ATOM 0 HB2 SER A 100 -3.664 -25.465 -1.170 1.00 22.12 H new ATOM 0 HB3 SER A 100 -5.299 -26.019 -1.469 1.00 22.12 H new ATOM 0 HG SER A 100 -3.412 -24.985 -3.358 1.00 51.21 H new ATOM 1611 N PHE A 101 -4.670 -23.679 0.910 1.00 70.10 N ATOM 1612 CA PHE A 101 -5.046 -23.558 2.324 1.00 11.54 C ATOM 1613 C PHE A 101 -5.793 -22.239 2.581 1.00 13.12 C ATOM 1614 O PHE A 101 -6.762 -22.201 3.342 1.00 75.54 O ATOM 1615 CB PHE A 101 -3.808 -23.659 3.229 1.00 1.44 C ATOM 1616 CG PHE A 101 -4.129 -23.629 4.708 1.00 43.41 C ATOM 1617 CD1 PHE A 101 -5.109 -24.459 5.239 1.00 31.13 C ATOM 1618 CD2 PHE A 101 -3.454 -22.772 5.566 1.00 61.42 C ATOM 1619 CE1 PHE A 101 -5.405 -24.435 6.588 1.00 3.13 C ATOM 1620 CE2 PHE A 101 -3.748 -22.744 6.917 1.00 25.41 C ATOM 1621 CZ PHE A 101 -4.724 -23.577 7.428 1.00 54.35 C ATOM 0 H PHE A 101 -3.665 -23.671 0.737 1.00 70.10 H new ATOM 0 HA PHE A 101 -5.716 -24.384 2.565 1.00 11.54 H new ATOM 0 HB2 PHE A 101 -3.277 -24.583 3.001 1.00 1.44 H new ATOM 0 HB3 PHE A 101 -3.131 -22.837 2.997 1.00 1.44 H new ATOM 0 HD1 PHE A 101 -5.647 -25.132 4.588 1.00 31.13 H new ATOM 0 HD2 PHE A 101 -2.689 -22.118 5.173 1.00 61.42 H new ATOM 0 HE1 PHE A 101 -6.169 -25.087 6.985 1.00 3.13 H new ATOM 0 HE2 PHE A 101 -3.215 -22.071 7.572 1.00 25.41 H new ATOM 0 HZ PHE A 101 -4.954 -23.557 8.483 1.00 54.35 H new ATOM 1631 N GLY A 102 -5.341 -21.161 1.936 1.00 23.31 N ATOM 1632 CA GLY A 102 -6.041 -19.884 2.026 1.00 54.40 C ATOM 1633 C GLY A 102 -7.490 -19.982 1.560 1.00 51.02 C ATOM 1634 O GLY A 102 -8.408 -19.518 2.241 1.00 1.23 O ATOM 0 H GLY A 102 -4.504 -21.149 1.353 1.00 23.31 H new ATOM 0 HA2 GLY A 102 -6.017 -19.531 3.057 1.00 54.40 H new ATOM 0 HA3 GLY A 102 -5.517 -19.142 1.423 1.00 54.40 H new ATOM 1638 N ALA A 103 -7.694 -20.602 0.399 1.00 63.22 N ATOM 1639 CA ALA A 103 -9.040 -20.843 -0.130 1.00 51.32 C ATOM 1640 C ALA A 103 -9.818 -21.831 0.751 1.00 31.45 C ATOM 1641 O ALA A 103 -11.040 -21.736 0.880 1.00 75.44 O ATOM 1642 CB ALA A 103 -8.954 -21.365 -1.559 1.00 31.33 C ATOM 0 H ALA A 103 -6.942 -20.949 -0.197 1.00 63.22 H new ATOM 0 HA ALA A 103 -9.579 -19.896 -0.126 1.00 51.32 H new ATOM 0 HB1 ALA A 103 -9.959 -21.541 -1.943 1.00 31.33 H new ATOM 0 HB2 ALA A 103 -8.450 -20.629 -2.185 1.00 31.33 H new ATOM 0 HB3 ALA A 103 -8.392 -22.299 -1.572 1.00 31.33 H new ATOM 1648 N PHE A 104 -9.098 -22.772 1.359 1.00 35.12 N ATOM 1649 CA PHE A 104 -9.703 -23.774 2.242 1.00 51.50 C ATOM 1650 C PHE A 104 -10.336 -23.113 3.479 1.00 43.04 C ATOM 1651 O PHE A 104 -11.436 -23.476 3.902 1.00 12.42 O ATOM 1652 CB PHE A 104 -8.649 -24.806 2.672 1.00 33.31 C ATOM 1653 CG PHE A 104 -9.230 -26.031 3.323 1.00 45.23 C ATOM 1654 CD1 PHE A 104 -9.428 -26.086 4.695 1.00 23.33 C ATOM 1655 CD2 PHE A 104 -9.576 -27.133 2.556 1.00 32.53 C ATOM 1656 CE1 PHE A 104 -9.960 -27.215 5.286 1.00 1.12 C ATOM 1657 CE2 PHE A 104 -10.107 -28.262 3.141 1.00 33.34 C ATOM 1658 CZ PHE A 104 -10.299 -28.303 4.508 1.00 33.15 C ATOM 0 H PHE A 104 -8.087 -22.864 1.257 1.00 35.12 H new ATOM 0 HA PHE A 104 -10.493 -24.281 1.688 1.00 51.50 H new ATOM 0 HB2 PHE A 104 -8.073 -25.109 1.798 1.00 33.31 H new ATOM 0 HB3 PHE A 104 -7.953 -24.333 3.365 1.00 33.31 H new ATOM 0 HD1 PHE A 104 -9.163 -25.237 5.307 1.00 23.33 H new ATOM 0 HD2 PHE A 104 -9.427 -27.106 1.487 1.00 32.53 H new ATOM 0 HE1 PHE A 104 -10.110 -27.246 6.355 1.00 1.12 H new ATOM 0 HE2 PHE A 104 -10.373 -29.113 2.532 1.00 33.34 H new ATOM 0 HZ PHE A 104 -10.715 -29.187 4.968 1.00 33.15 H new ATOM 1668 N VAL A 105 -9.633 -22.146 4.063 1.00 72.30 N ATOM 1669 CA VAL A 105 -10.178 -21.376 5.184 1.00 32.22 C ATOM 1670 C VAL A 105 -11.277 -20.411 4.698 1.00 31.15 C ATOM 1671 O VAL A 105 -12.315 -20.254 5.346 1.00 71.14 O ATOM 1672 CB VAL A 105 -9.071 -20.574 5.919 1.00 12.51 C ATOM 1673 CG1 VAL A 105 -9.641 -19.848 7.139 1.00 65.55 C ATOM 1674 CG2 VAL A 105 -7.914 -21.487 6.328 1.00 30.00 C ATOM 0 H VAL A 105 -8.690 -21.876 3.783 1.00 72.30 H new ATOM 0 HA VAL A 105 -10.608 -22.090 5.886 1.00 32.22 H new ATOM 0 HB VAL A 105 -8.685 -19.826 5.227 1.00 12.51 H new ATOM 0 HG11 VAL A 105 -8.846 -19.293 7.637 1.00 65.55 H new ATOM 0 HG12 VAL A 105 -10.421 -19.156 6.819 1.00 65.55 H new ATOM 0 HG13 VAL A 105 -10.064 -20.576 7.831 1.00 65.55 H new ATOM 0 HG21 VAL A 105 -7.152 -20.901 6.841 1.00 30.00 H new ATOM 0 HG22 VAL A 105 -8.283 -22.266 6.995 1.00 30.00 H new ATOM 0 HG23 VAL A 105 -7.481 -21.946 5.439 1.00 30.00 H new ATOM 1684 N ALA A 106 -11.043 -19.788 3.540 1.00 3.11 N ATOM 1685 CA ALA A 106 -11.994 -18.835 2.949 1.00 13.15 C ATOM 1686 C ALA A 106 -13.375 -19.469 2.695 1.00 53.03 C ATOM 1687 O ALA A 106 -14.409 -18.875 3.009 1.00 33.33 O ATOM 1688 CB ALA A 106 -11.425 -18.269 1.653 1.00 63.02 C ATOM 0 H ALA A 106 -10.197 -19.926 2.987 1.00 3.11 H new ATOM 0 HA ALA A 106 -12.139 -18.028 3.668 1.00 13.15 H new ATOM 0 HB1 ALA A 106 -12.135 -17.564 1.221 1.00 63.02 H new ATOM 0 HB2 ALA A 106 -10.486 -17.756 1.861 1.00 63.02 H new ATOM 0 HB3 ALA A 106 -11.247 -19.081 0.949 1.00 63.02 H new ATOM 1694 N LYS A 107 -13.391 -20.675 2.129 1.00 51.43 N ATOM 1695 CA LYS A 107 -14.652 -21.375 1.856 1.00 24.32 C ATOM 1696 C LYS A 107 -15.394 -21.705 3.162 1.00 52.14 C ATOM 1697 O LYS A 107 -16.627 -21.686 3.210 1.00 2.01 O ATOM 1698 CB LYS A 107 -14.399 -22.639 1.013 1.00 24.42 C ATOM 1699 CG LYS A 107 -13.553 -23.704 1.704 1.00 1.34 C ATOM 1700 CD LYS A 107 -12.917 -24.677 0.708 1.00 42.40 C ATOM 1701 CE LYS A 107 -13.944 -25.335 -0.210 1.00 55.43 C ATOM 1702 NZ LYS A 107 -13.327 -26.387 -1.063 1.00 71.30 N ATOM 0 H LYS A 107 -12.554 -21.187 1.851 1.00 51.43 H new ATOM 0 HA LYS A 107 -15.294 -20.712 1.277 1.00 24.32 H new ATOM 0 HB2 LYS A 107 -15.359 -23.077 0.741 1.00 24.42 H new ATOM 0 HB3 LYS A 107 -13.907 -22.348 0.085 1.00 24.42 H new ATOM 0 HG2 LYS A 107 -12.769 -23.220 2.287 1.00 1.34 H new ATOM 0 HG3 LYS A 107 -14.175 -24.260 2.405 1.00 1.34 H new ATOM 0 HD2 LYS A 107 -12.184 -24.144 0.103 1.00 42.40 H new ATOM 0 HD3 LYS A 107 -12.377 -25.450 1.255 1.00 42.40 H new ATOM 0 HE2 LYS A 107 -14.740 -25.775 0.391 1.00 55.43 H new ATOM 0 HE3 LYS A 107 -14.404 -24.577 -0.843 1.00 55.43 H new ATOM 0 HZ1 LYS A 107 -13.667 -26.285 -2.041 1.00 71.30 H new ATOM 0 HZ2 LYS A 107 -12.292 -26.287 -1.044 1.00 71.30 H new ATOM 0 HZ3 LYS A 107 -13.590 -27.326 -0.701 1.00 71.30 H new ATOM 1716 N HIS A 108 -14.636 -21.974 4.229 1.00 52.12 N ATOM 1717 CA HIS A 108 -15.221 -22.159 5.561 1.00 43.53 C ATOM 1718 C HIS A 108 -15.794 -20.829 6.090 1.00 13.23 C ATOM 1719 O HIS A 108 -16.801 -20.815 6.801 1.00 51.04 O ATOM 1720 CB HIS A 108 -14.176 -22.720 6.543 1.00 53.02 C ATOM 1721 CG HIS A 108 -14.709 -22.962 7.929 1.00 55.22 C ATOM 1722 ND1 HIS A 108 -15.162 -24.191 8.365 1.00 51.33 N ATOM 1723 CD2 HIS A 108 -14.856 -22.120 8.984 1.00 33.44 C ATOM 1724 CE1 HIS A 108 -15.567 -24.094 9.617 1.00 54.34 C ATOM 1725 NE2 HIS A 108 -15.391 -22.850 10.013 1.00 34.50 N ATOM 0 H HIS A 108 -13.621 -22.068 4.198 1.00 52.12 H new ATOM 0 HA HIS A 108 -16.035 -22.879 5.477 1.00 43.53 H new ATOM 0 HB2 HIS A 108 -13.785 -23.657 6.146 1.00 53.02 H new ATOM 0 HB3 HIS A 108 -13.338 -22.025 6.603 1.00 53.02 H new ATOM 0 HD1 HIS A 108 -15.181 -25.043 7.805 1.00 51.33 H new ATOM 0 HD2 HIS A 108 -14.599 -21.071 9.008 1.00 33.44 H new ATOM 0 HE1 HIS A 108 -15.973 -24.897 10.215 1.00 54.34 H new ATOM 1734 N LEU A 109 -15.141 -19.715 5.746 1.00 24.21 N ATOM 1735 CA LEU A 109 -15.632 -18.379 6.118 1.00 70.44 C ATOM 1736 C LEU A 109 -17.006 -18.102 5.497 1.00 72.45 C ATOM 1737 O LEU A 109 -17.933 -17.680 6.185 1.00 14.04 O ATOM 1738 CB LEU A 109 -14.640 -17.293 5.679 1.00 2.23 C ATOM 1739 CG LEU A 109 -13.278 -17.321 6.383 1.00 63.03 C ATOM 1740 CD1 LEU A 109 -12.366 -16.235 5.825 1.00 71.15 C ATOM 1741 CD2 LEU A 109 -13.447 -17.161 7.891 1.00 11.42 C ATOM 0 H LEU A 109 -14.272 -19.709 5.211 1.00 24.21 H new ATOM 0 HA LEU A 109 -15.728 -18.356 7.203 1.00 70.44 H new ATOM 0 HB2 LEU A 109 -14.477 -17.387 4.605 1.00 2.23 H new ATOM 0 HB3 LEU A 109 -15.097 -16.318 5.848 1.00 2.23 H new ATOM 0 HG LEU A 109 -12.814 -18.289 6.194 1.00 63.03 H new ATOM 0 HD11 LEU A 109 -11.404 -16.270 6.336 1.00 71.15 H new ATOM 0 HD12 LEU A 109 -12.216 -16.399 4.758 1.00 71.15 H new ATOM 0 HD13 LEU A 109 -12.825 -15.259 5.981 1.00 71.15 H new ATOM 0 HD21 LEU A 109 -12.469 -17.184 8.371 1.00 11.42 H new ATOM 0 HD22 LEU A 109 -13.934 -16.209 8.104 1.00 11.42 H new ATOM 0 HD23 LEU A 109 -14.060 -17.976 8.277 1.00 11.42 H new ATOM 1753 N LYS A 110 -17.133 -18.347 4.193 1.00 72.35 N ATOM 1754 CA LYS A 110 -18.419 -18.199 3.505 1.00 51.43 C ATOM 1755 C LYS A 110 -19.498 -19.032 4.218 1.00 11.41 C ATOM 1756 O LYS A 110 -20.611 -18.556 4.450 1.00 1.41 O ATOM 1757 CB LYS A 110 -18.279 -18.612 2.026 1.00 23.14 C ATOM 1758 CG LYS A 110 -19.451 -18.204 1.120 1.00 74.33 C ATOM 1759 CD LYS A 110 -20.677 -19.100 1.294 1.00 54.50 C ATOM 1760 CE LYS A 110 -21.811 -18.709 0.351 1.00 71.55 C ATOM 1761 NZ LYS A 110 -22.330 -17.342 0.624 1.00 24.33 N ATOM 0 H LYS A 110 -16.365 -18.648 3.592 1.00 72.35 H new ATOM 0 HA LYS A 110 -18.725 -17.153 3.535 1.00 51.43 H new ATOM 0 HB2 LYS A 110 -17.363 -18.174 1.628 1.00 23.14 H new ATOM 0 HB3 LYS A 110 -18.162 -19.695 1.977 1.00 23.14 H new ATOM 0 HG2 LYS A 110 -19.728 -17.172 1.335 1.00 74.33 H new ATOM 0 HG3 LYS A 110 -19.128 -18.237 0.080 1.00 74.33 H new ATOM 0 HD2 LYS A 110 -20.396 -20.137 1.112 1.00 54.50 H new ATOM 0 HD3 LYS A 110 -21.026 -19.040 2.325 1.00 54.50 H new ATOM 0 HE2 LYS A 110 -21.458 -18.762 -0.679 1.00 71.55 H new ATOM 0 HE3 LYS A 110 -22.624 -19.429 0.446 1.00 71.55 H new ATOM 0 HZ1 LYS A 110 -23.163 -17.161 0.028 1.00 24.33 H new ATOM 0 HZ2 LYS A 110 -22.598 -17.266 1.626 1.00 24.33 H new ATOM 0 HZ3 LYS A 110 -21.592 -16.641 0.409 1.00 24.33 H new ATOM 1775 N THR A 111 -19.146 -20.269 4.579 1.00 32.24 N ATOM 1776 CA THR A 111 -20.041 -21.144 5.355 1.00 23.14 C ATOM 1777 C THR A 111 -20.550 -20.455 6.631 1.00 33.23 C ATOM 1778 O THR A 111 -21.753 -20.418 6.890 1.00 11.34 O ATOM 1779 CB THR A 111 -19.334 -22.466 5.748 1.00 53.13 C ATOM 1780 OG1 THR A 111 -18.947 -23.187 4.569 1.00 30.30 O ATOM 1781 CG2 THR A 111 -20.231 -23.351 6.612 1.00 31.31 C ATOM 0 H THR A 111 -18.247 -20.691 4.348 1.00 32.24 H new ATOM 0 HA THR A 111 -20.891 -21.364 4.709 1.00 23.14 H new ATOM 0 HB THR A 111 -18.450 -22.205 6.330 1.00 53.13 H new ATOM 0 HG1 THR A 111 -18.209 -22.718 4.126 1.00 30.30 H new ATOM 0 HG21 THR A 111 -19.700 -24.268 6.867 1.00 31.31 H new ATOM 0 HG22 THR A 111 -20.496 -22.819 7.526 1.00 31.31 H new ATOM 0 HG23 THR A 111 -21.138 -23.598 6.060 1.00 31.31 H new ATOM 1789 N ILE A 112 -19.633 -19.892 7.417 1.00 15.20 N ATOM 1790 CA ILE A 112 -19.993 -19.239 8.684 1.00 13.44 C ATOM 1791 C ILE A 112 -20.374 -17.755 8.498 1.00 50.42 C ATOM 1792 O ILE A 112 -20.432 -16.998 9.470 1.00 40.43 O ATOM 1793 CB ILE A 112 -18.847 -19.352 9.725 1.00 32.04 C ATOM 1794 CG1 ILE A 112 -17.562 -18.684 9.204 1.00 45.21 C ATOM 1795 CG2 ILE A 112 -18.590 -20.819 10.079 1.00 74.43 C ATOM 1796 CD1 ILE A 112 -16.422 -18.677 10.203 1.00 15.14 C ATOM 0 H ILE A 112 -18.636 -19.873 7.203 1.00 15.20 H new ATOM 0 HA ILE A 112 -20.870 -19.769 9.055 1.00 13.44 H new ATOM 0 HB ILE A 112 -19.155 -18.827 10.629 1.00 32.04 H new ATOM 0 HG12 ILE A 112 -17.237 -19.200 8.301 1.00 45.21 H new ATOM 0 HG13 ILE A 112 -17.789 -17.656 8.920 1.00 45.21 H new ATOM 0 HG21 ILE A 112 -17.784 -20.881 10.810 1.00 74.43 H new ATOM 0 HG22 ILE A 112 -19.496 -21.256 10.500 1.00 74.43 H new ATOM 0 HG23 ILE A 112 -18.307 -21.366 9.180 1.00 74.43 H new ATOM 0 HD11 ILE A 112 -15.553 -18.189 9.760 1.00 15.14 H new ATOM 0 HD12 ILE A 112 -16.726 -18.134 11.098 1.00 15.14 H new ATOM 0 HD13 ILE A 112 -16.166 -19.702 10.470 1.00 15.14 H new ATOM 1808 N ASN A 113 -20.646 -17.355 7.251 1.00 53.14 N ATOM 1809 CA ASN A 113 -21.108 -15.989 6.927 1.00 55.15 C ATOM 1810 C ASN A 113 -20.019 -14.916 7.151 1.00 14.43 C ATOM 1811 O ASN A 113 -20.311 -13.724 7.226 1.00 51.45 O ATOM 1812 CB ASN A 113 -22.380 -15.643 7.723 1.00 1.33 C ATOM 1813 CG ASN A 113 -23.546 -16.556 7.378 1.00 73.24 C ATOM 1814 OD1 ASN A 113 -24.321 -16.278 6.468 1.00 43.15 O ATOM 1815 ND2 ASN A 113 -23.690 -17.646 8.106 1.00 1.42 N ATOM 0 H ASN A 113 -20.554 -17.962 6.436 1.00 53.14 H new ATOM 0 HA ASN A 113 -21.339 -15.983 5.862 1.00 55.15 H new ATOM 0 HB2 ASN A 113 -22.169 -15.715 8.790 1.00 1.33 H new ATOM 0 HB3 ASN A 113 -22.660 -14.609 7.523 1.00 1.33 H new ATOM 0 HD21 ASN A 113 -24.462 -18.286 7.919 1.00 1.42 H new ATOM 0 HD22 ASN A 113 -23.029 -17.850 8.856 1.00 1.42 H new ATOM 1822 N GLN A 114 -18.762 -15.344 7.224 1.00 24.21 N ATOM 1823 CA GLN A 114 -17.620 -14.422 7.324 1.00 52.14 C ATOM 1824 C GLN A 114 -17.064 -14.067 5.930 1.00 11.31 C ATOM 1825 O GLN A 114 -15.848 -14.002 5.728 1.00 32.11 O ATOM 1826 CB GLN A 114 -16.517 -15.052 8.188 1.00 5.35 C ATOM 1827 CG GLN A 114 -16.870 -15.156 9.667 1.00 60.15 C ATOM 1828 CD GLN A 114 -16.947 -13.801 10.352 1.00 13.13 C ATOM 1829 OE1 GLN A 114 -18.003 -13.179 10.422 1.00 71.01 O ATOM 1830 NE2 GLN A 114 -15.823 -13.320 10.838 1.00 33.12 N ATOM 0 H GLN A 114 -18.501 -16.330 7.216 1.00 24.21 H new ATOM 0 HA GLN A 114 -17.965 -13.500 7.792 1.00 52.14 H new ATOM 0 HB2 GLN A 114 -16.297 -16.049 7.807 1.00 5.35 H new ATOM 0 HB3 GLN A 114 -15.606 -14.462 8.083 1.00 5.35 H new ATOM 0 HG2 GLN A 114 -17.828 -15.666 9.772 1.00 60.15 H new ATOM 0 HG3 GLN A 114 -16.124 -15.771 10.171 1.00 60.15 H new ATOM 0 HE21 GLN A 114 -14.962 -13.862 10.764 1.00 33.12 H new ATOM 0 HE22 GLN A 114 -15.813 -12.405 11.289 1.00 33.12 H new ATOM 1839 N GLU A 115 -17.961 -13.799 4.981 1.00 54.41 N ATOM 1840 CA GLU A 115 -17.569 -13.510 3.594 1.00 63.21 C ATOM 1841 C GLU A 115 -16.715 -12.233 3.488 1.00 20.33 C ATOM 1842 O GLU A 115 -16.040 -12.004 2.480 1.00 11.54 O ATOM 1843 CB GLU A 115 -18.817 -13.398 2.706 1.00 32.53 C ATOM 1844 CG GLU A 115 -19.684 -14.655 2.719 1.00 53.42 C ATOM 1845 CD GLU A 115 -20.919 -14.532 1.840 1.00 64.41 C ATOM 1846 OE1 GLU A 115 -21.918 -13.933 2.288 1.00 61.42 O ATOM 1847 OE2 GLU A 115 -20.898 -15.035 0.697 1.00 11.35 O ATOM 0 H GLU A 115 -18.968 -13.775 5.144 1.00 54.41 H new ATOM 0 HA GLU A 115 -16.953 -14.339 3.246 1.00 63.21 H new ATOM 0 HB2 GLU A 115 -19.415 -12.549 3.038 1.00 32.53 H new ATOM 0 HB3 GLU A 115 -18.508 -13.189 1.682 1.00 32.53 H new ATOM 0 HG2 GLU A 115 -19.089 -15.504 2.383 1.00 53.42 H new ATOM 0 HG3 GLU A 115 -19.993 -14.867 3.743 1.00 53.42 H new ATOM 1854 N SER A 116 -16.756 -11.406 4.528 1.00 45.31 N ATOM 1855 CA SER A 116 -15.894 -10.223 4.624 1.00 73.42 C ATOM 1856 C SER A 116 -14.437 -10.624 4.885 1.00 51.43 C ATOM 1857 O SER A 116 -13.522 -10.160 4.205 1.00 22.30 O ATOM 1858 CB SER A 116 -16.378 -9.312 5.756 1.00 64.22 C ATOM 1859 OG SER A 116 -16.393 -10.011 6.992 1.00 73.51 O ATOM 0 H SER A 116 -17.381 -11.531 5.324 1.00 45.31 H new ATOM 0 HA SER A 116 -15.946 -9.691 3.674 1.00 73.42 H new ATOM 0 HB2 SER A 116 -15.726 -8.442 5.833 1.00 64.22 H new ATOM 0 HB3 SER A 116 -17.378 -8.942 5.530 1.00 64.22 H new ATOM 0 HG SER A 116 -16.703 -9.412 7.703 1.00 73.51 H new ATOM 1865 N SER A 117 -14.239 -11.510 5.863 1.00 11.55 N ATOM 1866 CA SER A 117 -12.897 -11.957 6.279 1.00 1.04 C ATOM 1867 C SER A 117 -12.099 -12.554 5.106 1.00 73.53 C ATOM 1868 O SER A 117 -10.867 -12.507 5.091 1.00 1.13 O ATOM 1869 CB SER A 117 -13.012 -12.996 7.406 1.00 12.35 C ATOM 1870 OG SER A 117 -13.765 -12.497 8.505 1.00 24.05 O ATOM 0 H SER A 117 -14.998 -11.940 6.391 1.00 11.55 H new ATOM 0 HA SER A 117 -12.359 -11.080 6.638 1.00 1.04 H new ATOM 0 HB2 SER A 117 -13.484 -13.900 7.021 1.00 12.35 H new ATOM 0 HB3 SER A 117 -12.015 -13.277 7.745 1.00 12.35 H new ATOM 0 HG SER A 117 -13.820 -13.183 9.202 1.00 24.05 H new ATOM 1876 N ILE A 118 -12.810 -13.116 4.130 1.00 62.22 N ATOM 1877 CA ILE A 118 -12.180 -13.733 2.950 1.00 31.32 C ATOM 1878 C ILE A 118 -11.240 -12.764 2.204 1.00 71.15 C ATOM 1879 O ILE A 118 -10.155 -13.151 1.764 1.00 55.11 O ATOM 1880 CB ILE A 118 -13.251 -14.250 1.952 1.00 62.43 C ATOM 1881 CG1 ILE A 118 -14.184 -15.265 2.635 1.00 11.52 C ATOM 1882 CG2 ILE A 118 -12.590 -14.871 0.720 1.00 62.42 C ATOM 1883 CD1 ILE A 118 -15.323 -15.744 1.756 1.00 12.04 C ATOM 0 H ILE A 118 -13.829 -13.160 4.128 1.00 62.22 H new ATOM 0 HA ILE A 118 -11.588 -14.566 3.329 1.00 31.32 H new ATOM 0 HB ILE A 118 -13.849 -13.400 1.625 1.00 62.43 H new ATOM 0 HG12 ILE A 118 -13.597 -16.127 2.953 1.00 11.52 H new ATOM 0 HG13 ILE A 118 -14.599 -14.813 3.536 1.00 11.52 H new ATOM 0 HG21 ILE A 118 -13.359 -15.226 0.035 1.00 62.42 H new ATOM 0 HG22 ILE A 118 -11.976 -14.122 0.220 1.00 62.42 H new ATOM 0 HG23 ILE A 118 -11.963 -15.708 1.027 1.00 62.42 H new ATOM 0 HD11 ILE A 118 -15.935 -16.456 2.309 1.00 12.04 H new ATOM 0 HD12 ILE A 118 -15.936 -14.893 1.459 1.00 12.04 H new ATOM 0 HD13 ILE A 118 -14.918 -16.227 0.867 1.00 12.04 H new ATOM 1895 N GLU A 119 -11.654 -11.505 2.067 1.00 2.23 N ATOM 1896 CA GLU A 119 -10.900 -10.531 1.266 1.00 52.25 C ATOM 1897 C GLU A 119 -9.527 -10.191 1.898 1.00 34.04 C ATOM 1898 O GLU A 119 -8.499 -10.321 1.231 1.00 53.42 O ATOM 1899 CB GLU A 119 -11.749 -9.268 1.024 1.00 31.03 C ATOM 1900 CG GLU A 119 -13.079 -9.568 0.334 1.00 4.42 C ATOM 1901 CD GLU A 119 -13.896 -8.320 0.028 1.00 10.45 C ATOM 1902 OE1 GLU A 119 -14.511 -7.762 0.965 1.00 63.22 O ATOM 1903 OE2 GLU A 119 -13.945 -7.907 -1.151 1.00 2.15 O ATOM 0 H GLU A 119 -12.502 -11.133 2.496 1.00 2.23 H new ATOM 0 HA GLU A 119 -10.684 -10.987 0.300 1.00 52.25 H new ATOM 0 HB2 GLU A 119 -11.943 -8.779 1.978 1.00 31.03 H new ATOM 0 HB3 GLU A 119 -11.180 -8.565 0.415 1.00 31.03 H new ATOM 0 HG2 GLU A 119 -12.885 -10.103 -0.595 1.00 4.42 H new ATOM 0 HG3 GLU A 119 -13.667 -10.232 0.968 1.00 4.42 H new ATOM 1910 N PRO A 120 -9.465 -9.764 3.188 1.00 13.34 N ATOM 1911 CA PRO A 120 -8.174 -9.559 3.873 1.00 64.24 C ATOM 1912 C PRO A 120 -7.356 -10.861 3.989 1.00 15.31 C ATOM 1913 O PRO A 120 -6.125 -10.828 4.091 1.00 14.34 O ATOM 1914 CB PRO A 120 -8.570 -9.028 5.263 1.00 33.23 C ATOM 1915 CG PRO A 120 -9.995 -9.430 5.441 1.00 53.24 C ATOM 1916 CD PRO A 120 -10.604 -9.423 4.063 1.00 34.24 C ATOM 0 HA PRO A 120 -7.529 -8.874 3.322 1.00 64.24 H new ATOM 0 HB2 PRO A 120 -7.939 -9.455 6.043 1.00 33.23 H new ATOM 0 HB3 PRO A 120 -8.456 -7.945 5.319 1.00 33.23 H new ATOM 0 HG2 PRO A 120 -10.068 -10.418 5.895 1.00 53.24 H new ATOM 0 HG3 PRO A 120 -10.516 -8.737 6.101 1.00 53.24 H new ATOM 0 HD2 PRO A 120 -11.411 -10.151 3.976 1.00 34.24 H new ATOM 0 HD3 PRO A 120 -11.025 -8.449 3.814 1.00 34.24 H new ATOM 1924 N LEU A 121 -8.042 -12.010 3.969 1.00 12.32 N ATOM 1925 CA LEU A 121 -7.360 -13.312 3.950 1.00 50.53 C ATOM 1926 C LEU A 121 -6.499 -13.428 2.680 1.00 60.14 C ATOM 1927 O LEU A 121 -5.332 -13.809 2.743 1.00 23.05 O ATOM 1928 CB LEU A 121 -8.386 -14.465 4.031 1.00 40.11 C ATOM 1929 CG LEU A 121 -7.861 -15.817 4.570 1.00 25.24 C ATOM 1930 CD1 LEU A 121 -9.014 -16.797 4.775 1.00 34.33 C ATOM 1931 CD2 LEU A 121 -6.813 -16.435 3.645 1.00 73.54 C ATOM 0 H LEU A 121 -9.060 -12.066 3.966 1.00 12.32 H new ATOM 0 HA LEU A 121 -6.709 -13.386 4.821 1.00 50.53 H new ATOM 0 HB2 LEU A 121 -9.213 -14.143 4.664 1.00 40.11 H new ATOM 0 HB3 LEU A 121 -8.794 -14.630 3.034 1.00 40.11 H new ATOM 0 HG LEU A 121 -7.383 -15.615 5.529 1.00 25.24 H new ATOM 0 HD11 LEU A 121 -8.625 -17.742 5.154 1.00 34.33 H new ATOM 0 HD12 LEU A 121 -9.721 -16.381 5.493 1.00 34.33 H new ATOM 0 HD13 LEU A 121 -9.519 -16.968 3.825 1.00 34.33 H new ATOM 0 HD21 LEU A 121 -6.473 -17.383 4.063 1.00 73.54 H new ATOM 0 HD22 LEU A 121 -7.252 -16.608 2.662 1.00 73.54 H new ATOM 0 HD23 LEU A 121 -5.966 -15.755 3.549 1.00 73.54 H new ATOM 1943 N ALA A 122 -7.075 -13.068 1.533 1.00 34.14 N ATOM 1944 CA ALA A 122 -6.330 -13.044 0.269 1.00 44.35 C ATOM 1945 C ALA A 122 -5.081 -12.150 0.369 1.00 64.53 C ATOM 1946 O ALA A 122 -4.046 -12.430 -0.245 1.00 21.33 O ATOM 1947 CB ALA A 122 -7.235 -12.569 -0.861 1.00 25.00 C ATOM 0 H ALA A 122 -8.053 -12.789 1.450 1.00 34.14 H new ATOM 0 HA ALA A 122 -5.994 -14.059 0.055 1.00 44.35 H new ATOM 0 HB1 ALA A 122 -6.674 -12.554 -1.795 1.00 25.00 H new ATOM 0 HB2 ALA A 122 -8.083 -13.247 -0.958 1.00 25.00 H new ATOM 0 HB3 ALA A 122 -7.597 -11.565 -0.640 1.00 25.00 H new ATOM 1953 N GLU A 123 -5.187 -11.076 1.152 1.00 74.42 N ATOM 1954 CA GLU A 123 -4.063 -10.165 1.372 1.00 61.43 C ATOM 1955 C GLU A 123 -2.937 -10.828 2.184 1.00 54.34 C ATOM 1956 O GLU A 123 -1.765 -10.617 1.890 1.00 41.34 O ATOM 1957 CB GLU A 123 -4.534 -8.880 2.066 1.00 44.34 C ATOM 1958 CG GLU A 123 -5.470 -8.029 1.212 1.00 52.44 C ATOM 1959 CD GLU A 123 -5.848 -6.717 1.883 1.00 64.14 C ATOM 1960 OE1 GLU A 123 -5.047 -5.757 1.816 1.00 70.13 O ATOM 1961 OE2 GLU A 123 -6.938 -6.637 2.480 1.00 32.25 O ATOM 0 H GLU A 123 -6.041 -10.815 1.645 1.00 74.42 H new ATOM 0 HA GLU A 123 -3.658 -9.910 0.393 1.00 61.43 H new ATOM 0 HB2 GLU A 123 -5.042 -9.144 2.994 1.00 44.34 H new ATOM 0 HB3 GLU A 123 -3.663 -8.284 2.338 1.00 44.34 H new ATOM 0 HG2 GLU A 123 -4.991 -7.818 0.256 1.00 52.44 H new ATOM 0 HG3 GLU A 123 -6.376 -8.596 0.997 1.00 52.44 H new ATOM 1968 N SER A 124 -3.287 -11.631 3.199 1.00 41.45 N ATOM 1969 CA SER A 124 -2.266 -12.348 3.995 1.00 1.44 C ATOM 1970 C SER A 124 -1.489 -13.344 3.127 1.00 63.31 C ATOM 1971 O SER A 124 -0.259 -13.393 3.176 1.00 4.54 O ATOM 1972 CB SER A 124 -2.883 -13.102 5.183 1.00 43.10 C ATOM 1973 OG SER A 124 -3.756 -14.133 4.751 1.00 50.41 O ATOM 0 H SER A 124 -4.250 -11.802 3.489 1.00 41.45 H new ATOM 0 HA SER A 124 -1.587 -11.586 4.379 1.00 1.44 H new ATOM 0 HB2 SER A 124 -2.089 -13.530 5.795 1.00 43.10 H new ATOM 0 HB3 SER A 124 -3.430 -12.402 5.814 1.00 43.10 H new ATOM 0 HG SER A 124 -4.329 -13.796 4.031 1.00 50.41 H new ATOM 1979 N ILE A 125 -2.219 -14.139 2.340 1.00 42.41 N ATOM 1980 CA ILE A 125 -1.604 -15.096 1.409 1.00 45.14 C ATOM 1981 C ILE A 125 -0.579 -14.401 0.502 1.00 33.32 C ATOM 1982 O ILE A 125 0.580 -14.812 0.410 1.00 55.11 O ATOM 1983 CB ILE A 125 -2.677 -15.774 0.516 1.00 30.21 C ATOM 1984 CG1 ILE A 125 -3.774 -16.419 1.378 1.00 62.24 C ATOM 1985 CG2 ILE A 125 -2.041 -16.814 -0.407 1.00 74.21 C ATOM 1986 CD1 ILE A 125 -3.257 -17.466 2.342 1.00 12.20 C ATOM 0 H ILE A 125 -3.239 -14.141 2.327 1.00 42.41 H new ATOM 0 HA ILE A 125 -1.103 -15.852 2.013 1.00 45.14 H new ATOM 0 HB ILE A 125 -3.135 -15.003 -0.104 1.00 30.21 H new ATOM 0 HG12 ILE A 125 -4.285 -15.639 1.943 1.00 62.24 H new ATOM 0 HG13 ILE A 125 -4.516 -16.876 0.723 1.00 62.24 H new ATOM 0 HG21 ILE A 125 -2.813 -17.275 -1.023 1.00 74.21 H new ATOM 0 HG22 ILE A 125 -1.306 -16.329 -1.050 1.00 74.21 H new ATOM 0 HG23 ILE A 125 -1.549 -17.580 0.192 1.00 74.21 H new ATOM 0 HD11 ILE A 125 -4.089 -17.875 2.915 1.00 12.20 H new ATOM 0 HD12 ILE A 125 -2.772 -18.267 1.784 1.00 12.20 H new ATOM 0 HD13 ILE A 125 -2.537 -17.011 3.022 1.00 12.20 H new ATOM 1998 N THR A 126 -1.022 -13.335 -0.156 1.00 53.44 N ATOM 1999 CA THR A 126 -0.162 -12.562 -1.055 1.00 65.51 C ATOM 2000 C THR A 126 0.960 -11.844 -0.287 1.00 13.21 C ATOM 2001 O THR A 126 2.086 -11.729 -0.779 1.00 22.42 O ATOM 2002 CB THR A 126 -0.984 -11.515 -1.848 1.00 11.10 C ATOM 2003 OG1 THR A 126 -2.124 -12.142 -2.457 1.00 1.40 O ATOM 2004 CG2 THR A 126 -0.137 -10.848 -2.929 1.00 11.11 C ATOM 0 H THR A 126 -1.976 -12.982 -0.085 1.00 53.44 H new ATOM 0 HA THR A 126 0.286 -13.272 -1.750 1.00 65.51 H new ATOM 0 HB THR A 126 -1.314 -10.750 -1.145 1.00 11.10 H new ATOM 0 HG1 THR A 126 -2.815 -12.293 -1.779 1.00 1.40 H new ATOM 0 HG21 THR A 126 -0.742 -10.119 -3.467 1.00 11.11 H new ATOM 0 HG22 THR A 126 0.712 -10.344 -2.467 1.00 11.11 H new ATOM 0 HG23 THR A 126 0.225 -11.604 -3.626 1.00 11.11 H new ATOM 2012 N ASP A 127 0.654 -11.376 0.928 1.00 1.43 N ATOM 2013 CA ASP A 127 1.643 -10.675 1.758 1.00 43.42 C ATOM 2014 C ASP A 127 2.831 -11.583 2.075 1.00 31.01 C ATOM 2015 O ASP A 127 3.969 -11.222 1.809 1.00 71.53 O ATOM 2016 CB ASP A 127 1.008 -10.182 3.066 1.00 72.55 C ATOM 2017 CG ASP A 127 2.000 -9.447 3.958 1.00 20.43 C ATOM 2018 OD1 ASP A 127 2.373 -8.307 3.620 1.00 25.23 O ATOM 2019 OD2 ASP A 127 2.405 -9.998 5.006 1.00 62.32 O ATOM 0 H ASP A 127 -0.266 -11.469 1.358 1.00 1.43 H new ATOM 0 HA ASP A 127 1.998 -9.815 1.191 1.00 43.42 H new ATOM 0 HB2 ASP A 127 0.174 -9.520 2.834 1.00 72.55 H new ATOM 0 HB3 ASP A 127 0.597 -11.033 3.610 1.00 72.55 H new ATOM 2024 N VAL A 128 2.556 -12.775 2.608 1.00 13.11 N ATOM 2025 CA VAL A 128 3.613 -13.739 2.940 1.00 55.42 C ATOM 2026 C VAL A 128 4.358 -14.200 1.677 1.00 53.53 C ATOM 2027 O VAL A 128 5.587 -14.314 1.671 1.00 51.41 O ATOM 2028 CB VAL A 128 3.045 -14.976 3.685 1.00 21.10 C ATOM 2029 CG1 VAL A 128 4.162 -15.955 4.052 1.00 12.42 C ATOM 2030 CG2 VAL A 128 2.271 -14.547 4.932 1.00 2.32 C ATOM 0 H VAL A 128 1.612 -13.098 2.820 1.00 13.11 H new ATOM 0 HA VAL A 128 4.312 -13.226 3.600 1.00 55.42 H new ATOM 0 HB VAL A 128 2.356 -15.487 3.013 1.00 21.10 H new ATOM 0 HG11 VAL A 128 3.737 -16.813 4.573 1.00 12.42 H new ATOM 0 HG12 VAL A 128 4.662 -16.293 3.145 1.00 12.42 H new ATOM 0 HG13 VAL A 128 4.883 -15.458 4.700 1.00 12.42 H new ATOM 0 HG21 VAL A 128 1.881 -15.429 5.440 1.00 2.32 H new ATOM 0 HG22 VAL A 128 2.936 -14.005 5.605 1.00 2.32 H new ATOM 0 HG23 VAL A 128 1.443 -13.900 4.642 1.00 2.32 H new ATOM 2040 N LEU A 129 3.602 -14.443 0.607 1.00 23.43 N ATOM 2041 CA LEU A 129 4.173 -14.846 -0.685 1.00 12.20 C ATOM 2042 C LEU A 129 5.268 -13.858 -1.139 1.00 34.11 C ATOM 2043 O LEU A 129 6.399 -14.249 -1.440 1.00 13.03 O ATOM 2044 CB LEU A 129 3.053 -14.911 -1.736 1.00 35.43 C ATOM 2045 CG LEU A 129 3.428 -15.575 -3.069 1.00 14.54 C ATOM 2046 CD1 LEU A 129 3.721 -17.057 -2.867 1.00 51.40 C ATOM 2047 CD2 LEU A 129 2.318 -15.381 -4.103 1.00 61.01 C ATOM 0 H LEU A 129 2.585 -14.368 0.607 1.00 23.43 H new ATOM 0 HA LEU A 129 4.632 -15.828 -0.574 1.00 12.20 H new ATOM 0 HB2 LEU A 129 2.209 -15.451 -1.307 1.00 35.43 H new ATOM 0 HB3 LEU A 129 2.712 -13.896 -1.940 1.00 35.43 H new ATOM 0 HG LEU A 129 4.331 -15.095 -3.446 1.00 14.54 H new ATOM 0 HD11 LEU A 129 3.985 -17.509 -3.823 1.00 51.40 H new ATOM 0 HD12 LEU A 129 4.551 -17.172 -2.170 1.00 51.40 H new ATOM 0 HD13 LEU A 129 2.837 -17.551 -2.463 1.00 51.40 H new ATOM 0 HD21 LEU A 129 2.605 -15.859 -5.039 1.00 61.01 H new ATOM 0 HD22 LEU A 129 1.395 -15.829 -3.735 1.00 61.01 H new ATOM 0 HD23 LEU A 129 2.161 -14.316 -4.273 1.00 61.01 H new ATOM 2059 N VAL A 130 4.922 -12.573 -1.158 1.00 1.35 N ATOM 2060 CA VAL A 130 5.865 -11.506 -1.517 1.00 13.25 C ATOM 2061 C VAL A 130 6.879 -11.242 -0.387 1.00 0.55 C ATOM 2062 O VAL A 130 8.053 -10.961 -0.636 1.00 44.24 O ATOM 2063 CB VAL A 130 5.102 -10.193 -1.841 1.00 13.11 C ATOM 2064 CG1 VAL A 130 6.061 -9.033 -2.105 1.00 3.03 C ATOM 2065 CG2 VAL A 130 4.172 -10.398 -3.033 1.00 55.14 C ATOM 0 H VAL A 130 3.986 -12.239 -0.927 1.00 1.35 H new ATOM 0 HA VAL A 130 6.411 -11.839 -2.400 1.00 13.25 H new ATOM 0 HB VAL A 130 4.505 -9.934 -0.967 1.00 13.11 H new ATOM 0 HG11 VAL A 130 5.490 -8.132 -2.328 1.00 3.03 H new ATOM 0 HG12 VAL A 130 6.677 -8.863 -1.222 1.00 3.03 H new ATOM 0 HG13 VAL A 130 6.701 -9.276 -2.953 1.00 3.03 H new ATOM 0 HG21 VAL A 130 3.645 -9.468 -3.247 1.00 55.14 H new ATOM 0 HG22 VAL A 130 4.757 -10.692 -3.904 1.00 55.14 H new ATOM 0 HG23 VAL A 130 3.449 -11.180 -2.800 1.00 55.14 H new ATOM 2075 N ARG A 131 6.419 -11.370 0.851 1.00 13.34 N ATOM 2076 CA ARG A 131 7.221 -11.054 2.043 1.00 52.20 C ATOM 2077 C ARG A 131 8.555 -11.818 2.062 1.00 31.11 C ATOM 2078 O ARG A 131 9.561 -11.315 2.558 1.00 14.20 O ATOM 2079 CB ARG A 131 6.406 -11.389 3.301 1.00 34.44 C ATOM 2080 CG ARG A 131 6.893 -10.734 4.588 1.00 41.30 C ATOM 2081 CD ARG A 131 5.888 -10.950 5.718 1.00 72.41 C ATOM 2082 NE ARG A 131 6.216 -10.186 6.919 1.00 32.53 N ATOM 2083 CZ ARG A 131 5.330 -9.552 7.644 1.00 72.04 C ATOM 2084 NH1 ARG A 131 4.083 -9.516 7.283 1.00 41.43 N ATOM 2085 NH2 ARG A 131 5.696 -8.940 8.724 1.00 73.13 N ATOM 0 H ARG A 131 5.477 -11.697 1.065 1.00 13.34 H new ATOM 0 HA ARG A 131 7.459 -9.991 2.019 1.00 52.20 H new ATOM 0 HB2 ARG A 131 5.371 -11.093 3.132 1.00 34.44 H new ATOM 0 HB3 ARG A 131 6.410 -12.470 3.439 1.00 34.44 H new ATOM 0 HG2 ARG A 131 7.860 -11.150 4.870 1.00 41.30 H new ATOM 0 HG3 ARG A 131 7.041 -9.666 4.425 1.00 41.30 H new ATOM 0 HD2 ARG A 131 4.893 -10.667 5.373 1.00 72.41 H new ATOM 0 HD3 ARG A 131 5.850 -12.011 5.966 1.00 72.41 H new ATOM 0 HE ARG A 131 7.193 -10.144 7.210 1.00 32.53 H new ATOM 0 HH11 ARG A 131 3.786 -9.985 6.427 1.00 41.43 H new ATOM 0 HH12 ARG A 131 3.401 -9.019 7.855 1.00 41.43 H new ATOM 0 HH21 ARG A 131 6.675 -8.952 9.010 1.00 73.13 H new ATOM 0 HH22 ARG A 131 5.005 -8.446 9.289 1.00 73.13 H new ATOM 2099 N THR A 132 8.559 -13.035 1.518 1.00 25.52 N ATOM 2100 CA THR A 132 9.769 -13.876 1.527 1.00 32.31 C ATOM 2101 C THR A 132 10.171 -14.404 0.131 1.00 52.52 C ATOM 2102 O THR A 132 11.320 -14.806 -0.068 1.00 32.53 O ATOM 2103 CB THR A 132 9.622 -15.060 2.523 1.00 24.51 C ATOM 2104 OG1 THR A 132 10.672 -16.023 2.334 1.00 12.22 O ATOM 2105 CG2 THR A 132 8.261 -15.741 2.396 1.00 10.05 C ATOM 0 H THR A 132 7.749 -13.463 1.068 1.00 25.52 H new ATOM 0 HA THR A 132 10.575 -13.221 1.857 1.00 32.31 H new ATOM 0 HB THR A 132 9.700 -14.644 3.528 1.00 24.51 H new ATOM 0 HG1 THR A 132 10.560 -16.758 2.972 1.00 12.22 H new ATOM 0 HG21 THR A 132 8.198 -16.563 3.109 1.00 10.05 H new ATOM 0 HG22 THR A 132 7.472 -15.019 2.604 1.00 10.05 H new ATOM 0 HG23 THR A 132 8.141 -16.128 1.384 1.00 10.05 H new ATOM 2113 N LYS A 133 9.249 -14.407 -0.844 1.00 42.25 N ATOM 2114 CA LYS A 133 9.582 -14.872 -2.212 1.00 13.14 C ATOM 2115 C LYS A 133 9.292 -13.818 -3.298 1.00 21.45 C ATOM 2116 O LYS A 133 9.188 -14.163 -4.474 1.00 74.43 O ATOM 2117 CB LYS A 133 8.844 -16.183 -2.561 1.00 64.42 C ATOM 2118 CG LYS A 133 9.386 -17.423 -1.843 1.00 30.24 C ATOM 2119 CD LYS A 133 8.827 -17.567 -0.433 1.00 71.24 C ATOM 2120 CE LYS A 133 9.564 -18.634 0.366 1.00 34.43 C ATOM 2121 NZ LYS A 133 10.954 -18.218 0.698 1.00 15.42 N ATOM 0 H LYS A 133 8.284 -14.100 -0.722 1.00 42.25 H new ATOM 0 HA LYS A 133 10.657 -15.052 -2.202 1.00 13.14 H new ATOM 0 HB2 LYS A 133 7.788 -16.068 -2.316 1.00 64.42 H new ATOM 0 HB3 LYS A 133 8.905 -16.345 -3.637 1.00 64.42 H new ATOM 0 HG2 LYS A 133 9.138 -18.313 -2.422 1.00 30.24 H new ATOM 0 HG3 LYS A 133 10.474 -17.366 -1.796 1.00 30.24 H new ATOM 0 HD2 LYS A 133 8.900 -16.611 0.085 1.00 71.24 H new ATOM 0 HD3 LYS A 133 7.768 -17.821 -0.487 1.00 71.24 H new ATOM 0 HE2 LYS A 133 9.017 -18.841 1.286 1.00 34.43 H new ATOM 0 HE3 LYS A 133 9.589 -19.562 -0.205 1.00 34.43 H new ATOM 0 HZ1 LYS A 133 11.352 -18.869 1.405 1.00 15.42 H new ATOM 0 HZ2 LYS A 133 11.538 -18.242 -0.162 1.00 15.42 H new ATOM 0 HZ3 LYS A 133 10.945 -17.252 1.083 1.00 15.42 H new ATOM 2135 N ARG A 134 9.209 -12.541 -2.913 1.00 64.24 N ATOM 2136 CA ARG A 134 8.971 -11.443 -3.875 1.00 42.51 C ATOM 2137 C ARG A 134 9.850 -11.561 -5.127 1.00 2.12 C ATOM 2138 O ARG A 134 9.354 -11.735 -6.242 1.00 50.53 O ATOM 2139 CB ARG A 134 9.251 -10.088 -3.207 1.00 43.43 C ATOM 2140 CG ARG A 134 9.297 -8.906 -4.179 1.00 33.22 C ATOM 2141 CD ARG A 134 9.589 -7.590 -3.464 1.00 54.15 C ATOM 2142 NE ARG A 134 10.862 -7.621 -2.742 1.00 72.11 N ATOM 2143 CZ ARG A 134 11.326 -6.626 -2.029 1.00 3.14 C ATOM 2144 NH1 ARG A 134 10.701 -5.493 -1.991 1.00 4.52 N ATOM 2145 NH2 ARG A 134 12.433 -6.760 -1.375 1.00 55.24 N ATOM 0 H ARG A 134 9.302 -12.235 -1.944 1.00 64.24 H new ATOM 0 HA ARG A 134 7.927 -11.514 -4.182 1.00 42.51 H new ATOM 0 HB2 ARG A 134 8.481 -9.899 -2.459 1.00 43.43 H new ATOM 0 HB3 ARG A 134 10.202 -10.146 -2.678 1.00 43.43 H new ATOM 0 HG2 ARG A 134 10.063 -9.086 -4.933 1.00 33.22 H new ATOM 0 HG3 ARG A 134 8.344 -8.830 -4.703 1.00 33.22 H new ATOM 0 HD2 ARG A 134 9.607 -6.779 -4.192 1.00 54.15 H new ATOM 0 HD3 ARG A 134 8.782 -7.372 -2.764 1.00 54.15 H new ATOM 0 HE ARG A 134 11.423 -8.471 -2.798 1.00 72.11 H new ATOM 0 HH11 ARG A 134 9.838 -5.369 -2.520 1.00 4.52 H new ATOM 0 HH12 ARG A 134 11.072 -4.725 -1.432 1.00 4.52 H new ATOM 0 HH21 ARG A 134 12.945 -7.641 -1.414 1.00 55.24 H new ATOM 0 HH22 ARG A 134 12.794 -5.985 -0.820 1.00 55.24 H new ATOM 2159 N ASP A 135 11.154 -11.455 -4.926 1.00 20.24 N ATOM 2160 CA ASP A 135 12.114 -11.468 -6.023 1.00 60.22 C ATOM 2161 C ASP A 135 12.061 -12.785 -6.813 1.00 34.10 C ATOM 2162 O ASP A 135 12.127 -12.778 -8.037 1.00 12.54 O ATOM 2163 CB ASP A 135 13.514 -11.206 -5.469 1.00 3.35 C ATOM 2164 CG ASP A 135 13.557 -9.898 -4.697 1.00 5.53 C ATOM 2165 OD1 ASP A 135 13.047 -9.863 -3.555 1.00 73.50 O ATOM 2166 OD2 ASP A 135 14.072 -8.895 -5.237 1.00 52.43 O ATOM 0 H ASP A 135 11.577 -11.358 -4.003 1.00 20.24 H new ATOM 0 HA ASP A 135 11.853 -10.677 -6.726 1.00 60.22 H new ATOM 0 HB2 ASP A 135 13.811 -12.027 -4.817 1.00 3.35 H new ATOM 0 HB3 ASP A 135 14.233 -11.173 -6.288 1.00 3.35 H new ATOM 2171 N TRP A 136 11.914 -13.910 -6.116 1.00 42.13 N ATOM 2172 CA TRP A 136 11.809 -15.216 -6.784 1.00 33.41 C ATOM 2173 C TRP A 136 10.598 -15.272 -7.732 1.00 33.10 C ATOM 2174 O TRP A 136 10.700 -15.783 -8.849 1.00 2.12 O ATOM 2175 CB TRP A 136 11.718 -16.341 -5.746 1.00 65.24 C ATOM 2176 CG TRP A 136 12.965 -16.494 -4.928 1.00 41.22 C ATOM 2177 CD1 TRP A 136 13.158 -16.107 -3.634 1.00 30.51 C ATOM 2178 CD2 TRP A 136 14.200 -17.070 -5.364 1.00 70.40 C ATOM 2179 NE1 TRP A 136 14.436 -16.413 -3.237 1.00 14.01 N ATOM 2180 CE2 TRP A 136 15.097 -17.003 -4.282 1.00 61.41 C ATOM 2181 CE3 TRP A 136 14.633 -17.636 -6.566 1.00 11.34 C ATOM 2182 CZ2 TRP A 136 16.400 -17.485 -4.367 1.00 71.11 C ATOM 2183 CZ3 TRP A 136 15.927 -18.114 -6.650 1.00 15.31 C ATOM 2184 CH2 TRP A 136 16.798 -18.033 -5.556 1.00 30.43 C ATOM 0 H TRP A 136 11.865 -13.950 -5.098 1.00 42.13 H new ATOM 0 HA TRP A 136 12.710 -15.353 -7.383 1.00 33.41 H new ATOM 0 HB2 TRP A 136 10.877 -16.145 -5.081 1.00 65.24 H new ATOM 0 HB3 TRP A 136 11.509 -17.281 -6.256 1.00 65.24 H new ATOM 0 HD1 TRP A 136 12.414 -15.630 -3.013 1.00 30.51 H new ATOM 0 HE1 TRP A 136 14.830 -16.231 -2.314 1.00 14.01 H new ATOM 0 HE3 TRP A 136 13.968 -17.699 -7.415 1.00 11.34 H new ATOM 0 HZ2 TRP A 136 17.073 -17.428 -3.524 1.00 71.11 H new ATOM 0 HZ3 TRP A 136 16.272 -18.557 -7.573 1.00 15.31 H new ATOM 0 HH2 TRP A 136 17.805 -18.411 -5.653 1.00 30.43 H new ATOM 2195 N LEU A 137 9.465 -14.730 -7.284 1.00 75.21 N ATOM 2196 CA LEU A 137 8.246 -14.670 -8.103 1.00 13.15 C ATOM 2197 C LEU A 137 8.516 -14.018 -9.470 1.00 13.40 C ATOM 2198 O LEU A 137 8.192 -14.581 -10.514 1.00 22.33 O ATOM 2199 CB LEU A 137 7.153 -13.874 -7.373 1.00 43.22 C ATOM 2200 CG LEU A 137 6.536 -14.546 -6.135 1.00 15.10 C ATOM 2201 CD1 LEU A 137 5.664 -13.553 -5.369 1.00 4.30 C ATOM 2202 CD2 LEU A 137 5.724 -15.775 -6.537 1.00 61.02 C ATOM 0 H LEU A 137 9.363 -14.323 -6.354 1.00 75.21 H new ATOM 0 HA LEU A 137 7.912 -15.695 -8.266 1.00 13.15 H new ATOM 0 HB2 LEU A 137 7.573 -12.915 -7.069 1.00 43.22 H new ATOM 0 HB3 LEU A 137 6.353 -13.661 -8.082 1.00 43.22 H new ATOM 0 HG LEU A 137 7.345 -14.871 -5.481 1.00 15.10 H new ATOM 0 HD11 LEU A 137 5.235 -14.044 -4.496 1.00 4.30 H new ATOM 0 HD12 LEU A 137 6.272 -12.707 -5.048 1.00 4.30 H new ATOM 0 HD13 LEU A 137 4.862 -13.198 -6.016 1.00 4.30 H new ATOM 0 HD21 LEU A 137 5.296 -16.236 -5.647 1.00 61.02 H new ATOM 0 HD22 LEU A 137 4.922 -15.476 -7.212 1.00 61.02 H new ATOM 0 HD23 LEU A 137 6.373 -16.492 -7.040 1.00 61.02 H new ATOM 2214 N VAL A 138 9.112 -12.831 -9.457 1.00 14.41 N ATOM 2215 CA VAL A 138 9.360 -12.086 -10.696 1.00 2.24 C ATOM 2216 C VAL A 138 10.565 -12.644 -11.485 1.00 52.01 C ATOM 2217 O VAL A 138 10.529 -12.725 -12.713 1.00 42.25 O ATOM 2218 CB VAL A 138 9.564 -10.574 -10.412 1.00 20.55 C ATOM 2219 CG1 VAL A 138 10.785 -10.336 -9.525 1.00 42.44 C ATOM 2220 CG2 VAL A 138 9.664 -9.780 -11.715 1.00 53.41 C ATOM 0 H VAL A 138 9.433 -12.362 -8.610 1.00 14.41 H new ATOM 0 HA VAL A 138 8.471 -12.212 -11.315 1.00 2.24 H new ATOM 0 HB VAL A 138 8.689 -10.217 -9.869 1.00 20.55 H new ATOM 0 HG11 VAL A 138 10.901 -9.267 -9.344 1.00 42.44 H new ATOM 0 HG12 VAL A 138 10.650 -10.852 -8.574 1.00 42.44 H new ATOM 0 HG13 VAL A 138 11.676 -10.719 -10.022 1.00 42.44 H new ATOM 0 HG21 VAL A 138 9.807 -8.724 -11.487 1.00 53.41 H new ATOM 0 HG22 VAL A 138 10.510 -10.143 -12.298 1.00 53.41 H new ATOM 0 HG23 VAL A 138 8.746 -9.907 -12.290 1.00 53.41 H new ATOM 2230 N LYS A 139 11.614 -13.056 -10.774 1.00 53.53 N ATOM 2231 CA LYS A 139 12.842 -13.562 -11.409 1.00 64.45 C ATOM 2232 C LYS A 139 12.601 -14.870 -12.181 1.00 10.32 C ATOM 2233 O LYS A 139 13.134 -15.062 -13.277 1.00 70.12 O ATOM 2234 CB LYS A 139 13.940 -13.772 -10.352 1.00 13.04 C ATOM 2235 CG LYS A 139 14.504 -12.475 -9.773 1.00 1.22 C ATOM 2236 CD LYS A 139 15.189 -11.625 -10.839 1.00 51.43 C ATOM 2237 CE LYS A 139 15.745 -10.328 -10.255 1.00 5.52 C ATOM 2238 NZ LYS A 139 16.503 -9.531 -11.259 1.00 54.11 N ATOM 0 H LYS A 139 11.643 -13.051 -9.754 1.00 53.53 H new ATOM 0 HA LYS A 139 13.166 -12.810 -12.129 1.00 64.45 H new ATOM 0 HB2 LYS A 139 13.536 -14.375 -9.539 1.00 13.04 H new ATOM 0 HB3 LYS A 139 14.754 -14.343 -10.798 1.00 13.04 H new ATOM 0 HG2 LYS A 139 13.698 -11.902 -9.315 1.00 1.22 H new ATOM 0 HG3 LYS A 139 15.217 -12.710 -8.983 1.00 1.22 H new ATOM 0 HD2 LYS A 139 15.998 -12.195 -11.295 1.00 51.43 H new ATOM 0 HD3 LYS A 139 14.478 -11.392 -11.631 1.00 51.43 H new ATOM 0 HE2 LYS A 139 14.924 -9.728 -9.864 1.00 5.52 H new ATOM 0 HE3 LYS A 139 16.397 -10.562 -9.414 1.00 5.52 H new ATOM 0 HZ1 LYS A 139 16.860 -8.661 -10.814 1.00 54.11 H new ATOM 0 HZ2 LYS A 139 17.304 -10.092 -11.614 1.00 54.11 H new ATOM 0 HZ3 LYS A 139 15.876 -9.283 -12.051 1.00 54.11 H new ATOM 2252 N GLN A 140 11.805 -15.771 -11.608 1.00 62.15 N ATOM 2253 CA GLN A 140 11.502 -17.053 -12.263 1.00 64.52 C ATOM 2254 C GLN A 140 10.257 -16.950 -13.158 1.00 55.40 C ATOM 2255 O GLN A 140 9.855 -17.932 -13.784 1.00 3.22 O ATOM 2256 CB GLN A 140 11.278 -18.159 -11.216 1.00 74.04 C ATOM 2257 CG GLN A 140 12.391 -18.296 -10.180 1.00 12.31 C ATOM 2258 CD GLN A 140 13.767 -18.520 -10.790 1.00 14.42 C ATOM 2259 OE1 GLN A 140 14.183 -19.649 -11.027 1.00 15.31 O ATOM 2260 NE2 GLN A 140 14.487 -17.443 -11.035 1.00 35.35 N ATOM 0 H GLN A 140 11.359 -15.644 -10.699 1.00 62.15 H new ATOM 0 HA GLN A 140 12.361 -17.305 -12.885 1.00 64.52 H new ATOM 0 HB2 GLN A 140 10.340 -17.963 -10.697 1.00 74.04 H new ATOM 0 HB3 GLN A 140 11.163 -19.112 -11.733 1.00 74.04 H new ATOM 0 HG2 GLN A 140 12.417 -17.396 -9.566 1.00 12.31 H new ATOM 0 HG3 GLN A 140 12.157 -19.128 -9.516 1.00 12.31 H new ATOM 0 HE21 GLN A 140 14.110 -16.519 -10.826 1.00 35.35 H new ATOM 0 HE22 GLN A 140 15.421 -17.534 -11.434 1.00 35.35 H new ATOM 2269 N ARG A 141 9.665 -15.753 -13.225 1.00 32.22 N ATOM 2270 CA ARG A 141 8.388 -15.540 -13.923 1.00 2.44 C ATOM 2271 C ARG A 141 7.320 -16.497 -13.372 1.00 65.42 C ATOM 2272 O ARG A 141 6.949 -17.485 -14.007 1.00 44.44 O ATOM 2273 CB ARG A 141 8.556 -15.699 -15.443 1.00 22.02 C ATOM 2274 CG ARG A 141 9.734 -14.904 -16.008 1.00 61.10 C ATOM 2275 CD ARG A 141 9.744 -14.887 -17.534 1.00 0.12 C ATOM 2276 NE ARG A 141 10.951 -14.249 -18.061 1.00 31.24 N ATOM 2277 CZ ARG A 141 11.040 -13.674 -19.231 1.00 21.44 C ATOM 2278 NH1 ARG A 141 10.012 -13.587 -20.010 1.00 4.12 N ATOM 2279 NH2 ARG A 141 12.172 -13.179 -19.612 1.00 14.45 N ATOM 0 H ARG A 141 10.052 -14.909 -12.802 1.00 32.22 H new ATOM 0 HA ARG A 141 8.057 -14.518 -13.741 1.00 2.44 H new ATOM 0 HB2 ARG A 141 8.693 -16.755 -15.678 1.00 22.02 H new ATOM 0 HB3 ARG A 141 7.639 -15.379 -15.938 1.00 22.02 H new ATOM 0 HG2 ARG A 141 9.690 -13.880 -15.636 1.00 61.10 H new ATOM 0 HG3 ARG A 141 10.667 -15.335 -15.646 1.00 61.10 H new ATOM 0 HD2 ARG A 141 9.679 -15.908 -17.910 1.00 0.12 H new ATOM 0 HD3 ARG A 141 8.864 -14.357 -17.898 1.00 0.12 H new ATOM 0 HE ARG A 141 11.784 -14.253 -17.472 1.00 31.24 H new ATOM 0 HH11 ARG A 141 9.114 -13.970 -19.714 1.00 4.12 H new ATOM 0 HH12 ARG A 141 10.099 -13.135 -20.920 1.00 4.12 H new ATOM 0 HH21 ARG A 141 12.986 -13.239 -19.001 1.00 14.45 H new ATOM 0 HH22 ARG A 141 12.251 -12.728 -20.524 1.00 14.45 H new ATOM 2293 N GLY A 142 6.850 -16.181 -12.166 1.00 13.42 N ATOM 2294 CA GLY A 142 6.020 -17.091 -11.384 1.00 21.01 C ATOM 2295 C GLY A 142 4.789 -17.624 -12.103 1.00 44.23 C ATOM 2296 O GLY A 142 4.718 -18.808 -12.421 1.00 34.31 O ATOM 0 H GLY A 142 7.034 -15.289 -11.706 1.00 13.42 H new ATOM 0 HA2 GLY A 142 6.632 -17.936 -11.070 1.00 21.01 H new ATOM 0 HA3 GLY A 142 5.698 -16.577 -10.479 1.00 21.01 H new ATOM 2300 N TRP A 143 3.823 -16.752 -12.367 1.00 73.54 N ATOM 2301 CA TRP A 143 2.530 -17.177 -12.920 1.00 32.12 C ATOM 2302 C TRP A 143 2.662 -17.718 -14.355 1.00 53.23 C ATOM 2303 O TRP A 143 1.732 -18.318 -14.891 1.00 50.51 O ATOM 2304 CB TRP A 143 1.531 -16.015 -12.855 1.00 71.51 C ATOM 2305 CG TRP A 143 1.441 -15.411 -11.480 1.00 61.44 C ATOM 2306 CD1 TRP A 143 1.625 -14.098 -11.140 1.00 20.42 C ATOM 2307 CD2 TRP A 143 1.184 -16.109 -10.251 1.00 0.23 C ATOM 2308 NE1 TRP A 143 1.482 -13.939 -9.783 1.00 15.12 N ATOM 2309 CE2 TRP A 143 1.213 -15.157 -9.216 1.00 62.43 C ATOM 2310 CE3 TRP A 143 0.926 -17.447 -9.927 1.00 74.10 C ATOM 2311 CZ2 TRP A 143 0.999 -15.496 -7.884 1.00 3.21 C ATOM 2312 CZ3 TRP A 143 0.714 -17.784 -8.602 1.00 24.44 C ATOM 2313 CH2 TRP A 143 0.749 -16.809 -7.594 1.00 13.33 C ATOM 0 H TRP A 143 3.904 -15.747 -12.210 1.00 73.54 H new ATOM 0 HA TRP A 143 2.157 -18.001 -12.312 1.00 32.12 H new ATOM 0 HB2 TRP A 143 1.826 -15.245 -13.568 1.00 71.51 H new ATOM 0 HB3 TRP A 143 0.546 -16.369 -13.158 1.00 71.51 H new ATOM 0 HD1 TRP A 143 1.850 -13.304 -11.836 1.00 20.42 H new ATOM 0 HE1 TRP A 143 1.563 -13.056 -9.279 1.00 15.12 H new ATOM 0 HE3 TRP A 143 0.893 -18.202 -10.698 1.00 74.10 H new ATOM 0 HZ2 TRP A 143 1.029 -14.748 -7.106 1.00 3.21 H new ATOM 0 HZ3 TRP A 143 0.519 -18.813 -8.340 1.00 24.44 H new ATOM 0 HH2 TRP A 143 0.575 -17.101 -6.569 1.00 13.33 H new ATOM 2324 N ASP A 144 3.820 -17.494 -14.969 1.00 42.04 N ATOM 2325 CA ASP A 144 4.123 -18.057 -16.286 1.00 14.41 C ATOM 2326 C ASP A 144 4.667 -19.493 -16.149 1.00 34.11 C ATOM 2327 O ASP A 144 4.090 -20.444 -16.681 1.00 63.34 O ATOM 2328 CB ASP A 144 5.144 -17.167 -17.000 1.00 71.35 C ATOM 2329 CG ASP A 144 4.688 -15.718 -17.069 1.00 21.44 C ATOM 2330 OD1 ASP A 144 4.889 -14.980 -16.080 1.00 60.43 O ATOM 2331 OD2 ASP A 144 4.122 -15.311 -18.107 1.00 14.03 O ATOM 0 H ASP A 144 4.569 -16.924 -14.575 1.00 42.04 H new ATOM 0 HA ASP A 144 3.207 -18.096 -16.875 1.00 14.41 H new ATOM 0 HB2 ASP A 144 6.100 -17.222 -16.479 1.00 71.35 H new ATOM 0 HB3 ASP A 144 5.310 -17.543 -18.010 1.00 71.35 H new ATOM 2336 N GLY A 145 5.771 -19.634 -15.408 1.00 60.02 N ATOM 2337 CA GLY A 145 6.369 -20.946 -15.166 1.00 33.31 C ATOM 2338 C GLY A 145 5.446 -21.892 -14.400 1.00 72.42 C ATOM 2339 O GLY A 145 5.506 -23.110 -14.562 1.00 13.33 O ATOM 0 H GLY A 145 6.265 -18.858 -14.968 1.00 60.02 H new ATOM 0 HA2 GLY A 145 6.634 -21.400 -16.121 1.00 33.31 H new ATOM 0 HA3 GLY A 145 7.295 -20.819 -14.606 1.00 33.31 H new ATOM 2343 N PHE A 146 4.600 -21.319 -13.555 1.00 12.35 N ATOM 2344 CA PHE A 146 3.608 -22.075 -12.784 1.00 22.35 C ATOM 2345 C PHE A 146 2.730 -22.950 -13.699 1.00 0.00 C ATOM 2346 O PHE A 146 2.528 -24.140 -13.447 1.00 62.54 O ATOM 2347 CB PHE A 146 2.732 -21.082 -12.004 1.00 10.32 C ATOM 2348 CG PHE A 146 1.676 -21.716 -11.134 1.00 13.53 C ATOM 2349 CD1 PHE A 146 1.994 -22.185 -9.867 1.00 63.01 C ATOM 2350 CD2 PHE A 146 0.363 -21.830 -11.575 1.00 54.42 C ATOM 2351 CE1 PHE A 146 1.029 -22.757 -9.063 1.00 2.52 C ATOM 2352 CE2 PHE A 146 -0.603 -22.403 -10.773 1.00 45.41 C ATOM 2353 CZ PHE A 146 -0.269 -22.867 -9.516 1.00 12.31 C ATOM 0 H PHE A 146 4.578 -20.314 -13.381 1.00 12.35 H new ATOM 0 HA PHE A 146 4.128 -22.742 -12.097 1.00 22.35 H new ATOM 0 HB2 PHE A 146 3.376 -20.465 -11.377 1.00 10.32 H new ATOM 0 HB3 PHE A 146 2.244 -20.414 -12.714 1.00 10.32 H new ATOM 0 HD1 PHE A 146 3.008 -22.101 -9.506 1.00 63.01 H new ATOM 0 HD2 PHE A 146 0.096 -21.466 -12.556 1.00 54.42 H new ATOM 0 HE1 PHE A 146 1.290 -23.118 -8.079 1.00 2.52 H new ATOM 0 HE2 PHE A 146 -1.619 -22.488 -11.128 1.00 45.41 H new ATOM 0 HZ PHE A 146 -1.024 -23.316 -8.888 1.00 12.31 H new ATOM 2363 N VAL A 147 2.229 -22.346 -14.773 1.00 71.44 N ATOM 2364 CA VAL A 147 1.286 -23.011 -15.678 1.00 34.05 C ATOM 2365 C VAL A 147 1.973 -24.069 -16.564 1.00 3.42 C ATOM 2366 O VAL A 147 1.413 -25.146 -16.803 1.00 21.04 O ATOM 2367 CB VAL A 147 0.556 -21.965 -16.556 1.00 3.22 C ATOM 2368 CG1 VAL A 147 -0.555 -22.611 -17.387 1.00 12.43 C ATOM 2369 CG2 VAL A 147 0.001 -20.847 -15.673 1.00 41.25 C ATOM 0 H VAL A 147 2.460 -21.390 -15.042 1.00 71.44 H new ATOM 0 HA VAL A 147 0.557 -23.534 -15.059 1.00 34.05 H new ATOM 0 HB VAL A 147 1.275 -21.539 -17.256 1.00 3.22 H new ATOM 0 HG11 VAL A 147 -1.047 -21.849 -17.992 1.00 12.43 H new ATOM 0 HG12 VAL A 147 -0.126 -23.371 -18.040 1.00 12.43 H new ATOM 0 HG13 VAL A 147 -1.284 -23.074 -16.722 1.00 12.43 H new ATOM 0 HG21 VAL A 147 -0.512 -20.113 -16.295 1.00 41.25 H new ATOM 0 HG22 VAL A 147 -0.701 -21.267 -14.953 1.00 41.25 H new ATOM 0 HG23 VAL A 147 0.820 -20.363 -15.141 1.00 41.25 H new ATOM 2379 N GLU A 148 3.186 -23.771 -17.046 1.00 11.13 N ATOM 2380 CA GLU A 148 3.953 -24.743 -17.843 1.00 33.11 C ATOM 2381 C GLU A 148 4.371 -25.944 -16.979 1.00 70.33 C ATOM 2382 O GLU A 148 4.339 -27.089 -17.432 1.00 30.31 O ATOM 2383 CB GLU A 148 5.209 -24.102 -18.469 1.00 23.20 C ATOM 2384 CG GLU A 148 6.273 -23.696 -17.451 1.00 62.13 C ATOM 2385 CD GLU A 148 7.616 -23.352 -18.079 1.00 61.20 C ATOM 2386 OE1 GLU A 148 8.368 -24.286 -18.431 1.00 63.14 O ATOM 2387 OE2 GLU A 148 7.941 -22.151 -18.197 1.00 4.44 O ATOM 0 H GLU A 148 3.655 -22.877 -16.902 1.00 11.13 H new ATOM 0 HA GLU A 148 3.301 -25.083 -18.648 1.00 33.11 H new ATOM 0 HB2 GLU A 148 5.648 -24.805 -19.177 1.00 23.20 H new ATOM 0 HB3 GLU A 148 4.910 -23.221 -19.037 1.00 23.20 H new ATOM 0 HG2 GLU A 148 5.914 -22.836 -16.886 1.00 62.13 H new ATOM 0 HG3 GLU A 148 6.412 -24.509 -16.739 1.00 62.13 H new ATOM 2394 N PHE A 149 4.742 -25.670 -15.724 1.00 24.35 N ATOM 2395 CA PHE A 149 5.176 -26.709 -14.780 1.00 64.11 C ATOM 2396 C PHE A 149 4.138 -27.836 -14.658 1.00 1.43 C ATOM 2397 O PHE A 149 4.478 -29.017 -14.731 1.00 32.33 O ATOM 2398 CB PHE A 149 5.448 -26.083 -13.403 1.00 35.32 C ATOM 2399 CG PHE A 149 5.967 -27.058 -12.376 1.00 15.23 C ATOM 2400 CD1 PHE A 149 7.301 -27.438 -12.376 1.00 2.23 C ATOM 2401 CD2 PHE A 149 5.125 -27.589 -11.408 1.00 30.52 C ATOM 2402 CE1 PHE A 149 7.783 -28.327 -11.434 1.00 1.24 C ATOM 2403 CE2 PHE A 149 5.603 -28.478 -10.465 1.00 13.34 C ATOM 2404 CZ PHE A 149 6.933 -28.848 -10.478 1.00 4.42 C ATOM 0 H PHE A 149 4.751 -24.728 -15.334 1.00 24.35 H new ATOM 0 HA PHE A 149 6.095 -27.150 -15.165 1.00 64.11 H new ATOM 0 HB2 PHE A 149 6.170 -25.275 -13.519 1.00 35.32 H new ATOM 0 HB3 PHE A 149 4.526 -25.635 -13.031 1.00 35.32 H new ATOM 0 HD1 PHE A 149 7.971 -27.034 -13.121 1.00 2.23 H new ATOM 0 HD2 PHE A 149 4.084 -27.303 -11.392 1.00 30.52 H new ATOM 0 HE1 PHE A 149 8.824 -28.614 -11.445 1.00 1.24 H new ATOM 0 HE2 PHE A 149 4.937 -28.883 -9.718 1.00 13.34 H new ATOM 0 HZ PHE A 149 7.308 -29.544 -9.742 1.00 4.42 H new ATOM 2414 N PHE A 150 2.873 -27.468 -14.475 1.00 21.43 N ATOM 2415 CA PHE A 150 1.785 -28.453 -14.411 1.00 63.43 C ATOM 2416 C PHE A 150 1.315 -28.873 -15.818 1.00 72.40 C ATOM 2417 O PHE A 150 0.482 -29.766 -15.963 1.00 53.15 O ATOM 2418 CB PHE A 150 0.614 -27.896 -13.593 1.00 14.23 C ATOM 2419 CG PHE A 150 0.979 -27.617 -12.155 1.00 32.52 C ATOM 2420 CD1 PHE A 150 1.131 -28.661 -11.251 1.00 64.23 C ATOM 2421 CD2 PHE A 150 1.173 -26.318 -11.708 1.00 1.11 C ATOM 2422 CE1 PHE A 150 1.469 -28.414 -9.935 1.00 25.14 C ATOM 2423 CE2 PHE A 150 1.509 -26.067 -10.392 1.00 0.21 C ATOM 2424 CZ PHE A 150 1.658 -27.116 -9.505 1.00 62.04 C ATOM 0 H PHE A 150 2.571 -26.499 -14.368 1.00 21.43 H new ATOM 0 HA PHE A 150 2.169 -29.345 -13.916 1.00 63.43 H new ATOM 0 HB2 PHE A 150 0.259 -26.976 -14.057 1.00 14.23 H new ATOM 0 HB3 PHE A 150 -0.212 -28.606 -13.621 1.00 14.23 H new ATOM 0 HD1 PHE A 150 0.983 -29.678 -11.582 1.00 64.23 H new ATOM 0 HD2 PHE A 150 1.060 -25.494 -12.397 1.00 1.11 H new ATOM 0 HE1 PHE A 150 1.585 -29.235 -9.243 1.00 25.14 H new ATOM 0 HE2 PHE A 150 1.655 -25.051 -10.056 1.00 0.21 H new ATOM 0 HZ PHE A 150 1.922 -26.921 -8.476 1.00 62.04 H new ATOM 2434 N HIS A 151 1.866 -28.216 -16.845 1.00 22.21 N ATOM 2435 CA HIS A 151 1.614 -28.560 -18.258 1.00 45.35 C ATOM 2436 C HIS A 151 0.119 -28.465 -18.628 1.00 53.14 C ATOM 2437 O HIS A 151 -0.334 -29.111 -19.573 1.00 53.42 O ATOM 2438 CB HIS A 151 2.141 -29.973 -18.566 1.00 13.43 C ATOM 2439 CG HIS A 151 3.496 -30.268 -17.989 1.00 73.41 C ATOM 2440 ND1 HIS A 151 4.631 -29.542 -18.285 1.00 41.15 N ATOM 2441 CD2 HIS A 151 3.891 -31.224 -17.112 1.00 32.43 C ATOM 2442 CE1 HIS A 151 5.657 -30.038 -17.625 1.00 25.11 C ATOM 2443 NE2 HIS A 151 5.238 -31.058 -16.904 1.00 41.14 N ATOM 0 H HIS A 151 2.502 -27.428 -16.724 1.00 22.21 H new ATOM 0 HA HIS A 151 2.148 -27.829 -18.865 1.00 45.35 H new ATOM 0 HB2 HIS A 151 1.429 -30.705 -18.184 1.00 13.43 H new ATOM 0 HB3 HIS A 151 2.183 -30.104 -19.647 1.00 13.43 H new ATOM 0 HD1 HIS A 151 4.670 -28.743 -18.918 1.00 41.15 H new ATOM 0 HD2 HIS A 151 3.262 -31.977 -16.660 1.00 32.43 H new ATOM 0 HE1 HIS A 151 6.672 -29.670 -17.668 1.00 25.11 H new ATOM 2452 N VAL A 152 -0.625 -27.624 -17.908 1.00 63.13 N ATOM 2453 CA VAL A 152 -2.079 -27.487 -18.109 1.00 4.34 C ATOM 2454 C VAL A 152 -2.428 -27.091 -19.556 1.00 72.24 C ATOM 2455 O VAL A 152 -3.360 -27.635 -20.158 1.00 33.54 O ATOM 2456 CB VAL A 152 -2.675 -26.445 -17.129 1.00 70.45 C ATOM 2457 CG1 VAL A 152 -4.176 -26.264 -17.357 1.00 73.02 C ATOM 2458 CG2 VAL A 152 -2.393 -26.849 -15.682 1.00 54.52 C ATOM 0 H VAL A 152 -0.248 -27.022 -17.176 1.00 63.13 H new ATOM 0 HA VAL A 152 -2.517 -28.465 -17.909 1.00 4.34 H new ATOM 0 HB VAL A 152 -2.192 -25.487 -17.322 1.00 70.45 H new ATOM 0 HG11 VAL A 152 -4.564 -25.527 -16.654 1.00 73.02 H new ATOM 0 HG12 VAL A 152 -4.350 -25.920 -18.377 1.00 73.02 H new ATOM 0 HG13 VAL A 152 -4.685 -27.216 -17.203 1.00 73.02 H new ATOM 0 HG21 VAL A 152 -2.819 -26.106 -15.007 1.00 54.52 H new ATOM 0 HG22 VAL A 152 -2.843 -27.821 -15.481 1.00 54.52 H new ATOM 0 HG23 VAL A 152 -1.316 -26.908 -15.524 1.00 54.52 H new