USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 895 hydrogens (8 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 201 7BUZN :(H bumps) USER MOD Set 1.1: A 67 GLN : amide:sc= 0.685 K(o=2.7,f=-4.4) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -156:sc= 2.01 (180deg=1.02) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -155:sc= 0.568 (180deg=0) USER MOD Set 2.2: A 8 GLN : amide:sc= -0.119 K(o=0.45,f=-4.2!) USER MOD Single : A 1 SER N :NH3+ -157:sc= 1.05 (180deg=0.571) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -3:sc= 0.908 USER MOD Single : A 15 GLN : amide:sc= 0.0323 X(o=0.032,f=-0.44) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc=-0.00456 (180deg=-0.123) USER MOD Single : A 31 SER OG : rot 180:sc= -0.419 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 44 GLN : amide:sc=-0.00666 K(o=-0.0067,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0236) USER MOD Single : A 48 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.23) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.829 K(o=0.83,f=-0.21) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 73 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.39) USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.0485 (180deg=-0.311) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.02) USER MOD Single : A 86 SER OG : rot -47:sc= 0.603 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.591 F(o=-1.8!,f=-0.59) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 99 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.38) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 171:sc= 1.15 (180deg=0.784) USER MOD Single : A 109 ASN : amide:sc= -0.0082 X(o=-0.0082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.939 -4.237 -3.357 1.00 0.00 N ATOM 2 CA SER A 1 -1.671 -4.926 -3.665 1.00 0.00 C ATOM 3 C SER A 1 -1.196 -4.604 -5.085 1.00 0.00 C ATOM 4 O SER A 1 -1.975 -4.133 -5.920 1.00 0.00 O ATOM 5 CB SER A 1 -1.846 -6.430 -3.490 1.00 0.00 C ATOM 6 OG SER A 1 -2.333 -6.732 -2.195 1.00 0.00 O ATOM 0 H1 SER A 1 -3.041 -4.141 -2.326 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.936 -3.293 -3.794 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.735 -4.790 -3.733 1.00 0.00 H new ATOM 0 HA SER A 1 -0.909 -4.571 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.538 -6.810 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.892 -6.933 -3.651 1.00 0.00 H new ATOM 0 HG SER A 1 -2.440 -7.702 -2.104 1.00 0.00 H new ATOM 14 N GLU A 2 0.079 -4.876 -5.349 1.00 0.00 N ATOM 15 CA GLU A 2 0.697 -4.593 -6.643 1.00 0.00 C ATOM 16 C GLU A 2 0.092 -5.459 -7.764 1.00 0.00 C ATOM 17 O GLU A 2 -0.378 -4.932 -8.777 1.00 0.00 O ATOM 18 CB GLU A 2 2.245 -4.759 -6.568 1.00 0.00 C ATOM 19 CG GLU A 2 2.763 -6.196 -6.364 1.00 0.00 C ATOM 20 CD GLU A 2 2.236 -6.868 -5.109 1.00 0.00 C ATOM 21 OE1 GLU A 2 2.885 -6.762 -4.047 1.00 0.00 O ATOM 22 OE2 GLU A 2 1.160 -7.495 -5.179 1.00 0.00 O1- ATOM 0 H GLU A 2 0.714 -5.299 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 2 0.483 -3.553 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.677 -4.366 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.617 -4.141 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.486 -6.798 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.852 -6.177 -6.324 1.00 0.00 H new ATOM 29 N PHE A 3 0.078 -6.777 -7.564 1.00 0.00 N ATOM 30 CA PHE A 3 -0.482 -7.705 -8.547 1.00 0.00 C ATOM 31 C PHE A 3 -1.982 -7.515 -8.646 1.00 0.00 C ATOM 32 O PHE A 3 -2.597 -7.808 -9.668 1.00 0.00 O ATOM 33 CB PHE A 3 -0.156 -9.158 -8.166 1.00 0.00 C ATOM 34 CG PHE A 3 -0.822 -10.188 -9.046 1.00 0.00 C ATOM 35 CD1 PHE A 3 -0.413 -10.372 -10.357 1.00 0.00 C ATOM 36 CD2 PHE A 3 -1.860 -10.968 -8.557 1.00 0.00 C ATOM 37 CE1 PHE A 3 -1.026 -11.310 -11.164 1.00 0.00 C ATOM 38 CE2 PHE A 3 -2.476 -11.908 -9.359 1.00 0.00 C ATOM 39 CZ PHE A 3 -2.058 -12.079 -10.664 1.00 0.00 C ATOM 0 H PHE A 3 0.449 -7.227 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.033 -7.494 -9.518 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.924 -9.301 -8.210 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.458 -9.328 -7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.395 -9.775 -10.753 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -2.190 -10.838 -7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.699 -11.442 -12.185 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -3.283 -12.508 -8.966 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.538 -12.814 -11.293 1.00 0.00 H new ATOM 49 N GLU A 4 -2.554 -7.003 -7.583 1.00 0.00 N ATOM 50 CA GLU A 4 -3.975 -6.765 -7.506 1.00 0.00 C ATOM 51 C GLU A 4 -4.395 -5.695 -8.508 1.00 0.00 C ATOM 52 O GLU A 4 -5.338 -5.887 -9.265 1.00 0.00 O ATOM 53 CB GLU A 4 -4.330 -6.359 -6.088 1.00 0.00 C ATOM 54 CG GLU A 4 -5.781 -6.024 -5.857 1.00 0.00 C ATOM 55 CD GLU A 4 -6.039 -5.744 -4.405 1.00 0.00 C ATOM 56 OE1 GLU A 4 -5.545 -4.714 -3.901 1.00 0.00 O ATOM 57 OE2 GLU A 4 -6.706 -6.571 -3.750 1.00 0.00 O1- ATOM 0 H GLU A 4 -2.043 -6.738 -6.741 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.514 -7.677 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.050 -7.169 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.726 -5.494 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.058 -5.155 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.407 -6.852 -6.189 1.00 0.00 H new ATOM 64 N LYS A 5 -3.676 -4.575 -8.519 1.00 0.00 N ATOM 65 CA LYS A 5 -3.965 -3.502 -9.461 1.00 0.00 C ATOM 66 C LYS A 5 -3.641 -3.972 -10.878 1.00 0.00 C ATOM 67 O LYS A 5 -4.394 -3.719 -11.827 1.00 0.00 O ATOM 68 CB LYS A 5 -3.152 -2.247 -9.113 1.00 0.00 C ATOM 69 CG LYS A 5 -3.614 -0.989 -9.838 1.00 0.00 C ATOM 70 CD LYS A 5 -5.023 -0.599 -9.418 1.00 0.00 C ATOM 71 CE LYS A 5 -5.520 0.620 -10.171 1.00 0.00 C ATOM 72 NZ LYS A 5 -6.906 0.988 -9.773 1.00 0.00 N1+ ATOM 0 H LYS A 5 -2.895 -4.389 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.023 -3.247 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.209 -2.076 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.104 -2.428 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.928 -0.170 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.585 -1.155 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.699 -1.435 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.040 -0.396 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.852 1.461 -9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.490 0.423 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.363 1.510 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.449 0.125 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.876 1.587 -8.923 1.00 0.00 H new ATOM 86 N LEU A 6 -2.487 -4.623 -11.005 1.00 0.00 N ATOM 87 CA LEU A 6 -2.073 -5.239 -12.267 1.00 0.00 C ATOM 88 C LEU A 6 -3.201 -6.112 -12.832 1.00 0.00 C ATOM 89 O LEU A 6 -3.605 -5.945 -13.983 1.00 0.00 O ATOM 90 CB LEU A 6 -0.804 -6.079 -12.063 1.00 0.00 C ATOM 91 CG LEU A 6 -0.269 -6.802 -13.308 1.00 0.00 C ATOM 92 CD1 LEU A 6 0.114 -5.807 -14.390 1.00 0.00 C ATOM 93 CD2 LEU A 6 0.922 -7.676 -12.945 1.00 0.00 C ATOM 0 H LEU A 6 -1.817 -4.739 -10.245 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.854 -4.446 -12.982 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.019 -5.428 -11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.005 -6.824 -11.293 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.063 -7.439 -13.698 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.490 -6.344 -15.261 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.761 -5.223 -14.674 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.889 -5.140 -14.013 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.289 -8.181 -13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.715 -7.055 -12.528 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.617 -8.419 -12.208 1.00 0.00 H new ATOM 105 N ARG A 7 -3.704 -7.032 -12.026 1.00 0.00 N ATOM 106 CA ARG A 7 -4.817 -7.877 -12.439 1.00 0.00 C ATOM 107 C ARG A 7 -6.100 -7.067 -12.665 1.00 0.00 C ATOM 108 O ARG A 7 -6.833 -7.314 -13.619 1.00 0.00 O ATOM 109 CB ARG A 7 -5.063 -9.003 -11.423 1.00 0.00 C ATOM 110 CG ARG A 7 -6.289 -9.845 -11.738 1.00 0.00 C ATOM 111 CD ARG A 7 -6.323 -11.133 -10.939 1.00 0.00 C ATOM 112 NE ARG A 7 -7.474 -11.948 -11.318 1.00 0.00 N ATOM 113 CZ ARG A 7 -7.437 -13.254 -11.592 1.00 0.00 C ATOM 114 NH1 ARG A 7 -6.312 -13.952 -11.439 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -8.535 -13.865 -12.001 1.00 0.00 N ATOM 0 H ARG A 7 -3.361 -7.214 -11.083 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.539 -8.326 -13.393 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.186 -9.650 -11.390 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.176 -8.568 -10.430 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.188 -9.266 -11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.302 -10.080 -12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.404 -11.694 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.368 -10.905 -9.874 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.379 -11.482 -11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.465 -13.489 -11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.298 -14.949 -11.652 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.403 -13.339 -12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.515 -14.863 -12.212 1.00 0.00 H new ATOM 129 N GLN A 8 -6.348 -6.093 -11.797 1.00 0.00 N ATOM 130 CA GLN A 8 -7.559 -5.274 -11.896 1.00 0.00 C ATOM 131 C GLN A 8 -7.627 -4.550 -13.236 1.00 0.00 C ATOM 132 O GLN A 8 -8.663 -4.561 -13.889 1.00 0.00 O ATOM 133 CB GLN A 8 -7.632 -4.257 -10.755 1.00 0.00 C ATOM 134 CG GLN A 8 -8.971 -3.540 -10.666 1.00 0.00 C ATOM 135 CD GLN A 8 -8.980 -2.434 -9.631 1.00 0.00 C ATOM 136 OE1 GLN A 8 -7.964 -1.785 -9.386 1.00 0.00 O ATOM 137 NE2 GLN A 8 -10.123 -2.214 -9.020 1.00 0.00 N ATOM 0 H GLN A 8 -5.734 -5.849 -11.020 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.412 -5.948 -11.820 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.439 -4.767 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.841 -3.518 -10.886 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.218 -3.120 -11.641 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.749 -4.264 -10.424 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.942 -2.775 -9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.191 -1.482 -8.313 1.00 0.00 H new ATOM 146 N THR A 9 -6.521 -3.946 -13.662 1.00 0.00 N ATOM 147 CA THR A 9 -6.481 -3.276 -14.958 1.00 0.00 C ATOM 148 C THR A 9 -6.654 -4.273 -16.108 1.00 0.00 C ATOM 149 O THR A 9 -7.047 -3.900 -17.215 1.00 0.00 O ATOM 150 CB THR A 9 -5.167 -2.490 -15.143 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.046 -3.335 -14.842 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.138 -1.267 -14.237 1.00 0.00 C ATOM 0 H THR A 9 -5.649 -3.907 -13.135 1.00 0.00 H new ATOM 0 HA THR A 9 -7.314 -2.573 -14.978 1.00 0.00 H new ATOM 0 HB THR A 9 -5.109 -2.159 -16.180 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.368 -4.207 -14.531 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.202 -0.727 -14.384 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.976 -0.614 -14.481 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.215 -1.583 -13.197 1.00 0.00 H new ATOM 160 N GLY A 10 -6.370 -5.538 -15.831 1.00 0.00 N ATOM 161 CA GLY A 10 -6.556 -6.568 -16.824 1.00 0.00 C ATOM 162 C GLY A 10 -8.023 -6.875 -16.986 1.00 0.00 C ATOM 163 O GLY A 10 -8.532 -6.948 -18.104 1.00 0.00 O ATOM 0 H GLY A 10 -6.014 -5.866 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.137 -6.245 -17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.019 -7.469 -16.529 1.00 0.00 H new ATOM 167 N ASP A 11 -8.701 -7.051 -15.852 1.00 0.00 N ATOM 168 CA ASP A 11 -10.150 -7.265 -15.829 1.00 0.00 C ATOM 169 C ASP A 11 -10.873 -6.147 -16.556 1.00 0.00 C ATOM 170 O ASP A 11 -11.759 -6.401 -17.371 1.00 0.00 O ATOM 171 CB ASP A 11 -10.670 -7.351 -14.385 1.00 0.00 C ATOM 172 CG ASP A 11 -10.476 -8.711 -13.763 1.00 0.00 C ATOM 173 OD1 ASP A 11 -11.351 -9.581 -13.949 1.00 0.00 O ATOM 174 OD2 ASP A 11 -9.459 -8.928 -13.083 1.00 0.00 O1- ATOM 0 H ASP A 11 -8.266 -7.050 -14.929 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.349 -8.209 -16.336 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.159 -6.604 -13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.731 -7.101 -14.372 1.00 0.00 H new ATOM 179 N GLU A 12 -10.467 -4.914 -16.275 1.00 0.00 N ATOM 180 CA GLU A 12 -11.080 -3.740 -16.892 1.00 0.00 C ATOM 181 C GLU A 12 -10.912 -3.791 -18.407 1.00 0.00 C ATOM 182 O GLU A 12 -11.851 -3.511 -19.159 1.00 0.00 O ATOM 183 CB GLU A 12 -10.455 -2.453 -16.345 1.00 0.00 C ATOM 184 CG GLU A 12 -10.513 -2.323 -14.830 1.00 0.00 C ATOM 185 CD GLU A 12 -11.924 -2.366 -14.284 1.00 0.00 C ATOM 186 OE1 GLU A 12 -12.609 -1.327 -14.319 1.00 0.00 O ATOM 187 OE2 GLU A 12 -12.346 -3.429 -13.795 1.00 0.00 O1- ATOM 0 H GLU A 12 -9.714 -4.699 -15.622 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.143 -3.744 -16.650 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.413 -2.406 -16.662 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.963 -1.598 -16.791 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.931 -3.127 -14.380 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.043 -1.385 -14.534 1.00 0.00 H new ATOM 194 N LEU A 13 -9.715 -4.156 -18.848 1.00 0.00 N ATOM 195 CA LEU A 13 -9.423 -4.289 -20.269 1.00 0.00 C ATOM 196 C LEU A 13 -10.322 -5.350 -20.915 1.00 0.00 C ATOM 197 O LEU A 13 -10.860 -5.133 -22.000 1.00 0.00 O ATOM 198 CB LEU A 13 -7.943 -4.646 -20.469 1.00 0.00 C ATOM 199 CG LEU A 13 -7.464 -4.757 -21.919 1.00 0.00 C ATOM 200 CD1 LEU A 13 -7.633 -3.433 -22.645 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.011 -5.207 -21.963 1.00 0.00 C ATOM 0 H LEU A 13 -8.926 -4.366 -18.237 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.626 -3.334 -20.755 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.338 -3.892 -19.965 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.749 -5.596 -19.971 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.075 -5.504 -22.426 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.286 -3.535 -23.673 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.685 -3.149 -22.643 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.049 -2.664 -22.140 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.684 -5.281 -23.000 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.389 -4.482 -21.438 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.917 -6.181 -21.482 1.00 0.00 H new ATOM 213 N VAL A 14 -10.487 -6.485 -20.241 1.00 0.00 N ATOM 214 CA VAL A 14 -11.358 -7.551 -20.739 1.00 0.00 C ATOM 215 C VAL A 14 -12.805 -7.055 -20.852 1.00 0.00 C ATOM 216 O VAL A 14 -13.467 -7.281 -21.858 1.00 0.00 O ATOM 217 CB VAL A 14 -11.315 -8.806 -19.827 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.239 -9.896 -20.359 1.00 0.00 C ATOM 219 CG2 VAL A 14 -9.891 -9.332 -19.703 1.00 0.00 C ATOM 0 H VAL A 14 -10.032 -6.692 -19.352 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.988 -7.831 -21.725 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.664 -8.515 -18.836 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.192 -10.765 -19.703 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.262 -9.522 -20.392 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.925 -10.181 -21.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.883 -10.212 -19.060 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.515 -9.601 -20.690 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.254 -8.560 -19.270 1.00 0.00 H new ATOM 229 N GLN A 15 -13.269 -6.366 -19.814 1.00 0.00 N ATOM 230 CA GLN A 15 -14.626 -5.801 -19.794 1.00 0.00 C ATOM 231 C GLN A 15 -14.846 -4.878 -20.987 1.00 0.00 C ATOM 232 O GLN A 15 -15.871 -4.956 -21.669 1.00 0.00 O ATOM 233 CB GLN A 15 -14.851 -5.017 -18.508 1.00 0.00 C ATOM 234 CG GLN A 15 -14.733 -5.844 -17.247 1.00 0.00 C ATOM 235 CD GLN A 15 -14.539 -4.979 -16.027 1.00 0.00 C ATOM 236 OE1 GLN A 15 -15.025 -3.853 -15.968 1.00 0.00 O ATOM 237 NE2 GLN A 15 -13.816 -5.490 -15.054 1.00 0.00 N ATOM 0 H GLN A 15 -12.727 -6.182 -18.970 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.335 -6.627 -19.848 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.130 -4.201 -18.463 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.842 -4.565 -18.541 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.631 -6.450 -17.124 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.894 -6.533 -17.341 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.431 -6.430 -15.144 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.641 -4.946 -14.209 1.00 0.00 H new ATOM 246 N ALA A 16 -13.872 -4.016 -21.245 1.00 0.00 N ATOM 247 CA ALA A 16 -13.944 -3.095 -22.371 1.00 0.00 C ATOM 248 C ALA A 16 -13.940 -3.862 -23.686 1.00 0.00 C ATOM 249 O ALA A 16 -14.619 -3.488 -24.637 1.00 0.00 O ATOM 250 CB ALA A 16 -12.790 -2.106 -22.327 1.00 0.00 C ATOM 0 H ALA A 16 -13.021 -3.935 -20.689 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.877 -2.536 -22.300 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.861 -1.426 -23.176 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.836 -1.535 -21.400 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.845 -2.647 -22.373 1.00 0.00 H new ATOM 256 N PHE A 17 -13.181 -4.944 -23.719 1.00 0.00 N ATOM 257 CA PHE A 17 -13.088 -5.787 -24.897 1.00 0.00 C ATOM 258 C PHE A 17 -14.421 -6.500 -25.163 1.00 0.00 C ATOM 259 O PHE A 17 -14.850 -6.627 -26.311 1.00 0.00 O ATOM 260 CB PHE A 17 -11.955 -6.799 -24.732 1.00 0.00 C ATOM 261 CG PHE A 17 -11.755 -7.682 -25.924 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.193 -7.181 -27.086 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.126 -9.012 -25.881 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.007 -7.993 -28.183 1.00 0.00 C ATOM 265 CE2 PHE A 17 -11.943 -9.829 -26.971 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.382 -9.320 -28.127 1.00 0.00 C ATOM 0 H PHE A 17 -12.614 -5.261 -22.933 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.867 -5.157 -25.758 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.028 -6.263 -24.529 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.160 -7.421 -23.861 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.898 -6.143 -27.133 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.565 -9.415 -24.980 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.569 -7.592 -29.085 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.237 -10.867 -26.924 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.237 -9.960 -28.985 1.00 0.00 H new ATOM 276 N GLN A 18 -15.069 -6.957 -24.096 1.00 0.00 N ATOM 277 CA GLN A 18 -16.375 -7.604 -24.208 1.00 0.00 C ATOM 278 C GLN A 18 -17.386 -6.619 -24.774 1.00 0.00 C ATOM 279 O GLN A 18 -18.184 -6.954 -25.651 1.00 0.00 O ATOM 280 CB GLN A 18 -16.843 -8.105 -22.840 1.00 0.00 C ATOM 281 CG GLN A 18 -15.917 -9.133 -22.214 1.00 0.00 C ATOM 282 CD GLN A 18 -16.330 -9.520 -20.809 1.00 0.00 C ATOM 283 OE1 GLN A 18 -16.918 -8.724 -20.077 1.00 0.00 O ATOM 284 NE2 GLN A 18 -16.026 -10.738 -20.425 1.00 0.00 N ATOM 0 H GLN A 18 -14.712 -6.892 -23.143 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.288 -8.459 -24.879 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.936 -7.255 -22.164 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.837 -8.540 -22.943 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.897 -10.025 -22.840 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.902 -8.735 -22.193 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.538 -11.367 -21.063 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.278 -11.055 -19.489 1.00 0.00 H new ATOM 293 N ARG A 19 -17.326 -5.395 -24.271 1.00 0.00 N ATOM 294 CA ARG A 19 -18.181 -4.319 -24.745 1.00 0.00 C ATOM 295 C ARG A 19 -17.869 -3.999 -26.198 1.00 0.00 C ATOM 296 O ARG A 19 -18.765 -3.701 -26.985 1.00 0.00 O ATOM 297 CB ARG A 19 -17.999 -3.071 -23.880 1.00 0.00 C ATOM 298 CG ARG A 19 -18.586 -3.198 -22.485 1.00 0.00 C ATOM 299 CD ARG A 19 -20.099 -3.338 -22.536 1.00 0.00 C ATOM 300 NE ARG A 19 -20.686 -3.439 -21.202 1.00 0.00 N ATOM 301 CZ ARG A 19 -21.777 -2.780 -20.811 1.00 0.00 C ATOM 302 NH1 ARG A 19 -22.416 -1.983 -21.659 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -22.235 -2.930 -19.575 1.00 0.00 N ATOM 0 H ARG A 19 -16.686 -5.121 -23.526 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.219 -4.645 -24.672 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.935 -2.851 -23.797 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.462 -2.222 -24.383 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.155 -4.064 -21.984 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.319 -2.322 -21.894 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.525 -2.479 -23.055 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.362 -4.223 -23.115 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.232 -4.053 -20.526 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -22.073 -1.873 -22.613 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -23.250 -1.480 -21.356 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -21.752 -3.549 -18.924 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -23.070 -2.426 -19.276 1.00 0.00 H new ATOM 317 N LEU A 20 -16.592 -4.095 -26.548 1.00 0.00 N ATOM 318 CA LEU A 20 -16.130 -3.816 -27.899 1.00 0.00 C ATOM 319 C LEU A 20 -16.768 -4.779 -28.887 1.00 0.00 C ATOM 320 O LEU A 20 -17.156 -4.388 -29.982 1.00 0.00 O ATOM 321 CB LEU A 20 -14.603 -3.943 -27.971 1.00 0.00 C ATOM 322 CG LEU A 20 -13.971 -3.657 -29.336 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.033 -2.175 -29.658 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.536 -4.161 -29.377 1.00 0.00 C ATOM 0 H LEU A 20 -15.850 -4.368 -25.903 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.419 -2.798 -28.159 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.166 -3.262 -27.240 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.327 -4.953 -27.669 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.541 -4.191 -30.096 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.578 -1.995 -30.632 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.073 -1.850 -29.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.492 -1.614 -28.896 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.104 -3.949 -30.355 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.952 -3.659 -28.605 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.523 -5.236 -29.200 1.00 0.00 H new ATOM 336 N ARG A 21 -16.883 -6.042 -28.482 1.00 0.00 N ATOM 337 CA ARG A 21 -17.462 -7.067 -29.339 1.00 0.00 C ATOM 338 C ARG A 21 -18.918 -6.751 -29.653 1.00 0.00 C ATOM 339 O ARG A 21 -19.326 -6.756 -30.814 1.00 0.00 O ATOM 340 CB ARG A 21 -17.379 -8.444 -28.657 1.00 0.00 C ATOM 341 CG ARG A 21 -17.985 -9.573 -29.481 1.00 0.00 C ATOM 342 CD ARG A 21 -17.115 -9.906 -30.676 1.00 0.00 C ATOM 343 NE ARG A 21 -17.897 -10.149 -31.891 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.466 -10.874 -32.923 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.346 -11.580 -32.823 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.174 -10.917 -34.039 1.00 0.00 N ATOM 0 H ARG A 21 -16.583 -6.377 -27.567 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.894 -7.086 -30.269 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.334 -8.676 -28.453 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.889 -8.394 -27.695 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.105 -10.459 -28.857 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.980 -9.285 -29.821 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.419 -9.086 -30.854 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.517 -10.789 -30.451 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.829 -9.738 -31.951 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.812 -11.569 -31.954 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.020 -12.134 -33.615 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.048 -10.396 -34.109 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.846 -11.471 -34.830 1.00 0.00 H new ATOM 360 N GLU A 22 -19.679 -6.431 -28.619 1.00 0.00 N ATOM 361 CA GLU A 22 -21.097 -6.148 -28.772 1.00 0.00 C ATOM 362 C GLU A 22 -21.314 -4.928 -29.652 1.00 0.00 C ATOM 363 O GLU A 22 -22.061 -4.980 -30.628 1.00 0.00 O ATOM 364 CB GLU A 22 -21.734 -5.934 -27.400 1.00 0.00 C ATOM 365 CG GLU A 22 -21.607 -7.134 -26.472 1.00 0.00 C ATOM 366 CD GLU A 22 -22.436 -8.318 -26.926 1.00 0.00 C ATOM 367 OE1 GLU A 22 -23.417 -8.662 -26.229 1.00 0.00 O ATOM 368 OE2 GLU A 22 -22.125 -8.910 -27.981 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.337 -6.361 -27.661 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.571 -7.002 -29.256 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.271 -5.069 -26.926 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.790 -5.698 -27.532 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -20.560 -7.431 -26.411 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -21.915 -6.845 -25.467 1.00 0.00 H new ATOM 375 N ILE A 23 -20.651 -3.839 -29.309 1.00 0.00 N ATOM 376 CA ILE A 23 -20.704 -2.607 -30.084 1.00 0.00 C ATOM 377 C ILE A 23 -20.300 -2.835 -31.547 1.00 0.00 C ATOM 378 O ILE A 23 -20.879 -2.238 -32.463 1.00 0.00 O ATOM 379 CB ILE A 23 -19.792 -1.541 -29.434 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.286 -1.237 -28.016 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.754 -0.270 -30.265 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.356 -0.362 -27.216 1.00 0.00 C ATOM 0 H ILE A 23 -20.057 -3.781 -28.482 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.735 -2.253 -30.083 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.777 -1.936 -29.386 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.260 -0.752 -28.078 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.431 -2.177 -27.484 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.105 0.461 -29.783 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.369 -0.497 -31.259 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.761 0.139 -30.350 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.777 -0.194 -26.225 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.387 -0.853 -27.120 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.230 0.594 -27.724 1.00 0.00 H new ATOM 394 N PHE A 24 -19.336 -3.719 -31.758 1.00 0.00 N ATOM 395 CA PHE A 24 -18.853 -4.003 -33.101 1.00 0.00 C ATOM 396 C PHE A 24 -19.924 -4.738 -33.904 1.00 0.00 C ATOM 397 O PHE A 24 -20.242 -4.358 -35.032 1.00 0.00 O ATOM 398 CB PHE A 24 -17.567 -4.838 -33.051 1.00 0.00 C ATOM 399 CG PHE A 24 -16.988 -5.144 -34.406 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.099 -4.270 -35.003 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.336 -6.307 -35.081 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.567 -4.545 -36.245 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.806 -6.586 -36.324 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.921 -5.706 -36.907 1.00 0.00 C ATOM 0 H PHE A 24 -18.874 -4.250 -31.020 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.630 -3.055 -33.591 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.822 -4.306 -32.460 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.773 -5.775 -32.534 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.818 -3.362 -34.491 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.029 -7.000 -34.628 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.874 -3.853 -36.701 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.085 -7.493 -36.839 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.504 -5.923 -37.880 1.00 0.00 H new ATOM 414 N ASP A 25 -20.488 -5.781 -33.301 1.00 0.00 N ATOM 415 CA ASP A 25 -21.516 -6.599 -33.956 1.00 0.00 C ATOM 416 C ASP A 25 -22.773 -5.795 -34.253 1.00 0.00 C ATOM 417 O ASP A 25 -23.471 -6.054 -35.236 1.00 0.00 O ATOM 418 CB ASP A 25 -21.890 -7.816 -33.093 1.00 0.00 C ATOM 419 CG ASP A 25 -20.764 -8.817 -32.927 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.176 -9.236 -33.935 1.00 0.00 O ATOM 421 OD2 ASP A 25 -20.481 -9.213 -31.783 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.252 -6.084 -32.356 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.088 -6.941 -34.898 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.203 -7.469 -32.108 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -22.747 -8.318 -33.542 1.00 0.00 H new ATOM 426 N LYS A 26 -23.061 -4.818 -33.411 1.00 0.00 N ATOM 427 CA LYS A 26 -24.267 -4.014 -33.569 1.00 0.00 C ATOM 428 C LYS A 26 -24.046 -2.817 -34.494 1.00 0.00 C ATOM 429 O LYS A 26 -24.944 -1.997 -34.685 1.00 0.00 O ATOM 430 CB LYS A 26 -24.797 -3.571 -32.206 1.00 0.00 C ATOM 431 CG LYS A 26 -25.054 -4.738 -31.266 1.00 0.00 C ATOM 432 CD LYS A 26 -25.743 -4.301 -29.991 1.00 0.00 C ATOM 433 CE LYS A 26 -25.747 -5.420 -28.955 1.00 0.00 C ATOM 434 NZ LYS A 26 -26.293 -6.695 -29.498 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.481 -4.560 -32.613 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.020 -4.642 -34.045 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -24.080 -2.891 -31.746 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.722 -3.012 -32.345 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -25.668 -5.483 -31.773 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.108 -5.220 -31.019 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -25.237 -3.426 -29.583 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.768 -4.003 -30.212 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.730 -5.586 -28.599 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.340 -5.112 -28.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.481 -7.353 -28.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.178 -6.504 -30.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -25.602 -7.119 -30.149 1.00 0.00 H new ATOM 448 N GLY A 27 -22.850 -2.723 -35.065 1.00 0.00 N ATOM 449 CA GLY A 27 -22.558 -1.670 -36.024 1.00 0.00 C ATOM 450 C GLY A 27 -22.642 -0.267 -35.451 1.00 0.00 C ATOM 451 O GLY A 27 -22.966 0.675 -36.171 1.00 0.00 O ATOM 0 H GLY A 27 -22.074 -3.359 -34.881 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.557 -1.827 -36.426 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -23.253 -1.752 -36.859 1.00 0.00 H new ATOM 455 N ASP A 28 -22.368 -0.119 -34.170 1.00 0.00 N ATOM 456 CA ASP A 28 -22.402 1.197 -33.546 1.00 0.00 C ATOM 457 C ASP A 28 -21.099 1.920 -33.833 1.00 0.00 C ATOM 458 O ASP A 28 -20.065 1.638 -33.229 1.00 0.00 O ATOM 459 CB ASP A 28 -22.662 1.114 -32.048 1.00 0.00 C ATOM 460 CG ASP A 28 -23.019 2.465 -31.451 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.168 3.370 -31.448 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.164 2.622 -30.975 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.121 -0.884 -33.542 1.00 0.00 H new ATOM 0 HA ASP A 28 -23.232 1.759 -33.974 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.473 0.410 -31.860 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.777 0.721 -31.549 1.00 0.00 H new ATOM 467 N ASP A 29 -21.167 2.845 -34.767 1.00 0.00 N ATOM 468 CA ASP A 29 -19.980 3.531 -35.267 1.00 0.00 C ATOM 469 C ASP A 29 -19.411 4.467 -34.216 1.00 0.00 C ATOM 470 O ASP A 29 -18.202 4.509 -33.990 1.00 0.00 O ATOM 471 CB ASP A 29 -20.311 4.343 -36.529 1.00 0.00 C ATOM 472 CG ASP A 29 -20.824 3.500 -37.678 1.00 0.00 C ATOM 473 OD1 ASP A 29 -22.057 3.337 -37.796 1.00 0.00 O ATOM 474 OD2 ASP A 29 -19.998 3.016 -38.485 1.00 0.00 O1- ATOM 0 H ASP A 29 -22.039 3.146 -35.203 1.00 0.00 H new ATOM 0 HA ASP A 29 -19.240 2.768 -35.509 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -21.059 5.096 -36.280 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -19.417 4.876 -36.852 1.00 0.00 H new ATOM 479 N ASP A 30 -20.294 5.190 -33.560 1.00 0.00 N ATOM 480 CA ASP A 30 -19.895 6.209 -32.589 1.00 0.00 C ATOM 481 C ASP A 30 -19.275 5.627 -31.336 1.00 0.00 C ATOM 482 O ASP A 30 -18.212 6.078 -30.902 1.00 0.00 O ATOM 483 CB ASP A 30 -21.073 7.104 -32.220 1.00 0.00 C ATOM 484 CG ASP A 30 -21.565 7.913 -33.390 1.00 0.00 C ATOM 485 OD1 ASP A 30 -20.878 8.880 -33.778 1.00 0.00 O ATOM 486 OD2 ASP A 30 -22.642 7.584 -33.931 1.00 0.00 O1- ATOM 0 H ASP A 30 -21.303 5.096 -33.677 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.126 6.806 -33.080 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.888 6.489 -31.838 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.777 7.777 -31.415 1.00 0.00 H new ATOM 491 N SER A 31 -19.911 4.626 -30.760 1.00 0.00 N ATOM 492 CA SER A 31 -19.423 4.051 -29.525 1.00 0.00 C ATOM 493 C SER A 31 -18.138 3.283 -29.775 1.00 0.00 C ATOM 494 O SER A 31 -17.247 3.268 -28.934 1.00 0.00 O ATOM 495 CB SER A 31 -20.489 3.144 -28.896 1.00 0.00 C ATOM 496 OG SER A 31 -20.137 2.765 -27.576 1.00 0.00 O ATOM 0 H SER A 31 -20.761 4.197 -31.125 1.00 0.00 H new ATOM 0 HA SER A 31 -19.209 4.858 -28.824 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.448 3.663 -28.883 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.617 2.252 -29.510 1.00 0.00 H new ATOM 0 HG SER A 31 -20.837 2.189 -27.203 1.00 0.00 H new ATOM 502 N LEU A 32 -18.028 2.681 -30.954 1.00 0.00 N ATOM 503 CA LEU A 32 -16.846 1.917 -31.315 1.00 0.00 C ATOM 504 C LEU A 32 -15.612 2.807 -31.275 1.00 0.00 C ATOM 505 O LEU A 32 -14.598 2.438 -30.687 1.00 0.00 O ATOM 506 CB LEU A 32 -17.024 1.329 -32.721 1.00 0.00 C ATOM 507 CG LEU A 32 -15.904 0.421 -33.229 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.818 -0.844 -32.393 1.00 0.00 C ATOM 509 CD2 LEU A 32 -16.124 0.080 -34.695 1.00 0.00 C ATOM 0 H LEU A 32 -18.747 2.709 -31.676 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.714 1.106 -30.599 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.956 0.763 -32.739 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.139 2.154 -33.424 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.958 0.955 -33.136 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.015 -1.476 -32.771 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.615 -0.581 -31.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.763 -1.384 -32.452 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.319 -0.567 -35.043 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.078 -0.434 -34.810 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.133 0.997 -35.284 1.00 0.00 H new ATOM 521 N GLU A 33 -15.709 3.987 -31.876 1.00 0.00 N ATOM 522 CA GLU A 33 -14.606 4.937 -31.867 1.00 0.00 C ATOM 523 C GLU A 33 -14.251 5.353 -30.439 1.00 0.00 C ATOM 524 O GLU A 33 -13.082 5.356 -30.061 1.00 0.00 O ATOM 525 CB GLU A 33 -14.961 6.173 -32.692 1.00 0.00 C ATOM 526 CG GLU A 33 -15.376 5.860 -34.118 1.00 0.00 C ATOM 527 CD GLU A 33 -15.682 7.102 -34.919 1.00 0.00 C ATOM 528 OE1 GLU A 33 -15.079 7.282 -36.002 1.00 0.00 O ATOM 529 OE2 GLU A 33 -16.514 7.919 -34.472 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.539 4.307 -32.375 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.739 4.447 -32.310 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.771 6.708 -32.197 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.102 6.844 -32.712 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.580 5.302 -34.610 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.255 5.216 -34.104 1.00 0.00 H new ATOM 536 N GLN A 34 -15.272 5.678 -29.655 1.00 0.00 N ATOM 537 CA GLN A 34 -15.092 6.113 -28.267 1.00 0.00 C ATOM 538 C GLN A 34 -14.422 5.028 -27.418 1.00 0.00 C ATOM 539 O GLN A 34 -13.476 5.298 -26.672 1.00 0.00 O ATOM 540 CB GLN A 34 -16.445 6.499 -27.668 1.00 0.00 C ATOM 541 CG GLN A 34 -17.070 7.727 -28.320 1.00 0.00 C ATOM 542 CD GLN A 34 -18.509 7.955 -27.900 1.00 0.00 C ATOM 543 OE1 GLN A 34 -18.919 7.583 -26.802 1.00 0.00 O ATOM 544 NE2 GLN A 34 -19.285 8.568 -28.772 1.00 0.00 N ATOM 0 H GLN A 34 -16.246 5.649 -29.958 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.434 6.982 -28.266 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -17.130 5.657 -27.766 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.321 6.687 -26.602 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.479 8.607 -28.065 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -17.027 7.617 -29.404 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -18.907 8.861 -29.673 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -20.263 8.749 -28.546 1.00 0.00 H new ATOM 553 N VAL A 35 -14.900 3.810 -27.568 1.00 0.00 N ATOM 554 CA VAL A 35 -14.367 2.668 -26.837 1.00 0.00 C ATOM 555 C VAL A 35 -12.906 2.397 -27.211 1.00 0.00 C ATOM 556 O VAL A 35 -12.108 1.995 -26.362 1.00 0.00 O ATOM 557 CB VAL A 35 -15.236 1.401 -27.054 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.571 0.161 -26.479 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.601 1.599 -26.420 1.00 0.00 C ATOM 0 H VAL A 35 -15.668 3.579 -28.198 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.400 2.919 -25.777 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.349 1.250 -28.128 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.209 -0.706 -26.650 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.608 0.005 -26.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.418 0.294 -25.408 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.207 0.707 -26.575 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.483 1.776 -25.351 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.094 2.457 -26.878 1.00 0.00 H new ATOM 569 N LEU A 36 -12.551 2.649 -28.471 1.00 0.00 N ATOM 570 CA LEU A 36 -11.182 2.426 -28.937 1.00 0.00 C ATOM 571 C LEU A 36 -10.187 3.270 -28.147 1.00 0.00 C ATOM 572 O LEU A 36 -9.106 2.795 -27.801 1.00 0.00 O ATOM 573 CB LEU A 36 -11.057 2.740 -30.432 1.00 0.00 C ATOM 574 CG LEU A 36 -11.813 1.808 -31.381 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.725 2.316 -32.810 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.273 0.386 -31.283 1.00 0.00 C ATOM 0 H LEU A 36 -13.188 3.005 -29.184 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.949 1.373 -28.776 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.408 3.758 -30.599 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.001 2.719 -30.700 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.862 1.796 -31.085 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.268 1.640 -33.470 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.163 3.312 -32.870 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.680 2.360 -33.117 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.824 -0.260 -31.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.216 0.379 -31.550 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.392 0.021 -30.263 1.00 0.00 H new ATOM 588 N GLU A 37 -10.565 4.505 -27.827 1.00 0.00 N ATOM 589 CA GLU A 37 -9.694 5.376 -27.050 1.00 0.00 C ATOM 590 C GLU A 37 -9.565 4.856 -25.624 1.00 0.00 C ATOM 591 O GLU A 37 -8.486 4.900 -25.032 1.00 0.00 O ATOM 592 CB GLU A 37 -10.213 6.821 -27.029 1.00 0.00 C ATOM 593 CG GLU A 37 -9.716 7.696 -28.176 1.00 0.00 C ATOM 594 CD GLU A 37 -10.295 7.322 -29.520 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.392 7.802 -29.844 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.636 6.572 -30.278 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.459 4.920 -28.091 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.715 5.374 -27.529 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.303 6.801 -27.051 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.922 7.283 -26.086 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.962 8.736 -27.961 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.629 7.630 -28.227 1.00 0.00 H new ATOM 603 N GLU A 38 -10.669 4.340 -25.094 1.00 0.00 N ATOM 604 CA GLU A 38 -10.711 3.809 -23.734 1.00 0.00 C ATOM 605 C GLU A 38 -9.850 2.560 -23.607 1.00 0.00 C ATOM 606 O GLU A 38 -9.113 2.394 -22.632 1.00 0.00 O ATOM 607 CB GLU A 38 -12.151 3.489 -23.344 1.00 0.00 C ATOM 608 CG GLU A 38 -13.038 4.709 -23.230 1.00 0.00 C ATOM 609 CD GLU A 38 -14.438 4.362 -22.791 1.00 0.00 C ATOM 610 OE1 GLU A 38 -15.371 4.504 -23.603 1.00 0.00 O ATOM 611 OE2 GLU A 38 -14.610 3.943 -21.627 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.557 4.278 -25.592 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.313 4.568 -23.060 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.576 2.810 -24.084 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.151 2.961 -22.390 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.600 5.408 -22.518 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.078 5.218 -24.193 1.00 0.00 H new ATOM 618 N ILE A 39 -9.952 1.688 -24.598 1.00 0.00 N ATOM 619 CA ILE A 39 -9.172 0.460 -24.612 1.00 0.00 C ATOM 620 C ILE A 39 -7.685 0.783 -24.640 1.00 0.00 C ATOM 621 O ILE A 39 -6.906 0.216 -23.869 1.00 0.00 O ATOM 622 CB ILE A 39 -9.537 -0.458 -25.801 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.002 -0.884 -25.703 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.627 -1.685 -25.825 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.457 -1.776 -26.834 1.00 0.00 C ATOM 0 H ILE A 39 -10.567 1.808 -25.403 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.413 -0.083 -23.698 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.393 0.096 -26.729 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.156 -1.405 -24.758 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.629 0.008 -25.682 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.897 -2.321 -26.668 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.590 -1.367 -25.928 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.745 -2.243 -24.896 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.506 -2.035 -26.693 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.337 -1.252 -27.782 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.857 -2.686 -26.844 1.00 0.00 H new ATOM 637 N GLU A 40 -7.299 1.716 -25.511 1.00 0.00 N ATOM 638 CA GLU A 40 -5.907 2.151 -25.602 1.00 0.00 C ATOM 639 C GLU A 40 -5.404 2.681 -24.256 1.00 0.00 C ATOM 640 O GLU A 40 -4.246 2.476 -23.898 1.00 0.00 O ATOM 641 CB GLU A 40 -5.741 3.226 -26.684 1.00 0.00 C ATOM 642 CG GLU A 40 -5.916 2.716 -28.110 1.00 0.00 C ATOM 643 CD GLU A 40 -5.592 3.777 -29.145 1.00 0.00 C ATOM 644 OE1 GLU A 40 -4.490 4.360 -29.074 1.00 0.00 O ATOM 645 OE2 GLU A 40 -6.425 4.025 -30.050 1.00 0.00 O1- ATOM 0 H GLU A 40 -7.930 2.184 -26.162 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.308 1.282 -25.876 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.465 4.021 -26.504 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.750 3.670 -26.589 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.271 1.851 -28.266 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.943 2.378 -28.249 1.00 0.00 H new ATOM 652 N GLU A 41 -6.290 3.323 -23.500 1.00 0.00 N ATOM 653 CA GLU A 41 -5.931 3.868 -22.196 1.00 0.00 C ATOM 654 C GLU A 41 -5.668 2.748 -21.199 1.00 0.00 C ATOM 655 O GLU A 41 -4.726 2.814 -20.402 1.00 0.00 O ATOM 656 CB GLU A 41 -7.047 4.770 -21.663 1.00 0.00 C ATOM 657 CG GLU A 41 -7.238 6.055 -22.446 1.00 0.00 C ATOM 658 CD GLU A 41 -6.005 6.919 -22.435 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.652 7.442 -21.355 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.383 7.082 -23.497 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.262 3.478 -23.769 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.022 4.457 -22.319 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.983 4.212 -21.669 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.831 5.020 -20.624 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.501 5.815 -23.476 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.074 6.613 -22.025 1.00 0.00 H new ATOM 667 N LEU A 42 -6.497 1.717 -21.253 1.00 0.00 N ATOM 668 CA LEU A 42 -6.386 0.590 -20.345 1.00 0.00 C ATOM 669 C LEU A 42 -5.141 -0.233 -20.640 1.00 0.00 C ATOM 670 O LEU A 42 -4.489 -0.731 -19.726 1.00 0.00 O ATOM 671 CB LEU A 42 -7.638 -0.286 -20.423 1.00 0.00 C ATOM 672 CG LEU A 42 -8.951 0.399 -20.029 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.123 -0.545 -20.222 1.00 0.00 C ATOM 674 CD2 LEU A 42 -8.892 0.886 -18.587 1.00 0.00 C ATOM 0 H LEU A 42 -7.261 1.639 -21.924 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.297 0.982 -19.332 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.735 -0.659 -21.442 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.494 -1.153 -19.778 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.093 1.263 -20.678 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.047 -0.041 -19.937 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.181 -0.844 -21.269 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.985 -1.429 -19.599 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.834 1.369 -18.327 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.724 0.038 -17.923 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.076 1.600 -18.477 1.00 0.00 H new ATOM 686 N ILE A 43 -4.806 -0.363 -21.923 1.00 0.00 N ATOM 687 CA ILE A 43 -3.632 -1.125 -22.329 1.00 0.00 C ATOM 688 C ILE A 43 -2.368 -0.503 -21.746 1.00 0.00 C ATOM 689 O ILE A 43 -1.528 -1.202 -21.170 1.00 0.00 O ATOM 690 CB ILE A 43 -3.496 -1.191 -23.875 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.703 -1.904 -24.492 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.200 -1.899 -24.272 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.686 -1.939 -26.009 1.00 0.00 C ATOM 0 H ILE A 43 -5.331 0.049 -22.695 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.759 -2.138 -21.948 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.464 -0.171 -24.258 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.741 -2.926 -24.115 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.615 -1.408 -24.160 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.123 -1.935 -25.359 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.348 -1.353 -23.866 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.203 -2.914 -23.875 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.572 -2.460 -26.371 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.680 -0.920 -26.396 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.793 -2.462 -26.351 1.00 0.00 H new ATOM 705 N GLN A 44 -2.258 0.815 -21.871 1.00 0.00 N ATOM 706 CA GLN A 44 -1.097 1.545 -21.374 1.00 0.00 C ATOM 707 C GLN A 44 -0.982 1.427 -19.859 1.00 0.00 C ATOM 708 O GLN A 44 0.086 1.146 -19.333 1.00 0.00 O ATOM 709 CB GLN A 44 -1.196 3.018 -21.763 1.00 0.00 C ATOM 710 CG GLN A 44 -1.280 3.260 -23.260 1.00 0.00 C ATOM 711 CD GLN A 44 -1.553 4.711 -23.596 1.00 0.00 C ATOM 712 OE1 GLN A 44 -2.189 5.431 -22.827 1.00 0.00 O ATOM 713 NE2 GLN A 44 -1.084 5.146 -24.746 1.00 0.00 N ATOM 0 H GLN A 44 -2.963 1.403 -22.315 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.207 1.107 -21.826 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.076 3.450 -21.286 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.328 3.546 -21.369 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.345 2.951 -23.728 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.069 2.638 -23.682 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.561 4.516 -25.355 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.243 6.113 -25.029 1.00 0.00 H new ATOM 722 N LYS A 45 -2.100 1.604 -19.172 1.00 0.00 N ATOM 723 CA LYS A 45 -2.123 1.554 -17.713 1.00 0.00 C ATOM 724 C LYS A 45 -1.851 0.153 -17.176 1.00 0.00 C ATOM 725 O LYS A 45 -1.228 -0.006 -16.130 1.00 0.00 O ATOM 726 CB LYS A 45 -3.437 2.107 -17.170 1.00 0.00 C ATOM 727 CG LYS A 45 -3.545 3.617 -17.298 1.00 0.00 C ATOM 728 CD LYS A 45 -4.853 4.135 -16.735 1.00 0.00 C ATOM 729 CE LYS A 45 -4.856 5.655 -16.651 1.00 0.00 C ATOM 730 NZ LYS A 45 -4.688 6.300 -17.981 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.008 1.784 -19.601 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.311 2.189 -17.359 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.267 1.643 -17.702 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.535 1.829 -16.121 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.712 4.087 -16.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.463 3.900 -18.347 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.679 3.802 -17.363 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.017 3.714 -15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.793 5.989 -16.205 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.054 5.981 -15.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.748 7.333 -17.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.760 6.045 -18.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.439 5.973 -18.623 1.00 0.00 H new ATOM 744 N HIS A 46 -2.299 -0.858 -17.894 1.00 0.00 N ATOM 745 CA HIS A 46 -2.099 -2.235 -17.472 1.00 0.00 C ATOM 746 C HIS A 46 -0.651 -2.650 -17.734 1.00 0.00 C ATOM 747 O HIS A 46 -0.007 -3.269 -16.893 1.00 0.00 O ATOM 748 CB HIS A 46 -3.088 -3.150 -18.218 1.00 0.00 C ATOM 749 CG HIS A 46 -2.902 -4.628 -18.006 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.042 -5.257 -16.786 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.618 -5.601 -18.893 1.00 0.00 C ATOM 752 CE1 HIS A 46 -2.850 -6.561 -16.944 1.00 0.00 C ATOM 753 NE2 HIS A 46 -2.592 -6.794 -18.222 1.00 0.00 N ATOM 0 H HIS A 46 -2.805 -0.754 -18.774 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.288 -2.327 -16.403 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.100 -2.883 -17.914 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.011 -2.943 -19.285 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.259 -4.794 -15.903 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.442 -5.464 -19.950 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.896 -7.306 -16.163 1.00 0.00 H new ATOM 761 N ARG A 47 -0.150 -2.288 -18.908 1.00 0.00 N ATOM 762 CA ARG A 47 1.228 -2.587 -19.291 1.00 0.00 C ATOM 763 C ARG A 47 2.233 -1.802 -18.442 1.00 0.00 C ATOM 764 O ARG A 47 3.314 -2.297 -18.137 1.00 0.00 O ATOM 765 CB ARG A 47 1.436 -2.286 -20.777 1.00 0.00 C ATOM 766 CG ARG A 47 2.821 -2.625 -21.294 1.00 0.00 C ATOM 767 CD ARG A 47 2.888 -2.496 -22.803 1.00 0.00 C ATOM 768 NE ARG A 47 4.186 -2.908 -23.327 1.00 0.00 N ATOM 769 CZ ARG A 47 4.357 -3.757 -24.344 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.311 -4.297 -24.958 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.574 -4.072 -24.748 1.00 0.00 N ATOM 0 H ARG A 47 -0.680 -1.783 -19.618 1.00 0.00 H new ATOM 0 HA ARG A 47 1.403 -3.648 -19.111 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.699 -2.843 -21.355 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.245 -1.227 -20.952 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.555 -1.962 -20.836 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.083 -3.642 -21.001 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.104 -3.104 -23.255 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.693 -1.462 -23.088 1.00 0.00 H new ATOM 0 HE ARG A 47 5.020 -2.521 -22.886 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.365 -4.065 -24.654 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.453 -4.944 -25.734 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.387 -3.667 -24.283 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.702 -4.721 -25.525 1.00 0.00 H new ATOM 785 N GLN A 48 1.856 -0.590 -18.047 1.00 0.00 N ATOM 786 CA GLN A 48 2.727 0.272 -17.248 1.00 0.00 C ATOM 787 C GLN A 48 3.026 -0.362 -15.897 1.00 0.00 C ATOM 788 O GLN A 48 4.110 -0.183 -15.338 1.00 0.00 O ATOM 789 CB GLN A 48 2.076 1.648 -17.056 1.00 0.00 C ATOM 790 CG GLN A 48 2.990 2.699 -16.444 1.00 0.00 C ATOM 791 CD GLN A 48 4.246 2.926 -17.263 1.00 0.00 C ATOM 792 OE1 GLN A 48 5.281 2.307 -17.022 1.00 0.00 O ATOM 793 NE2 GLN A 48 4.157 3.793 -18.251 1.00 0.00 N ATOM 0 H GLN A 48 0.949 -0.179 -18.267 1.00 0.00 H new ATOM 0 HA GLN A 48 3.669 0.397 -17.782 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.726 2.008 -18.023 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.197 1.535 -16.421 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.446 3.639 -16.351 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.268 2.391 -15.436 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.280 4.287 -18.419 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.965 3.970 -18.848 1.00 0.00 H new ATOM 802 N LEU A 49 2.071 -1.120 -15.385 1.00 0.00 N ATOM 803 CA LEU A 49 2.221 -1.777 -14.102 1.00 0.00 C ATOM 804 C LEU A 49 3.171 -2.964 -14.220 1.00 0.00 C ATOM 805 O LEU A 49 3.816 -3.344 -13.266 1.00 0.00 O ATOM 806 CB LEU A 49 0.858 -2.238 -13.585 1.00 0.00 C ATOM 807 CG LEU A 49 -0.155 -1.123 -13.303 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.499 -1.709 -12.921 1.00 0.00 C ATOM 809 CD2 LEU A 49 0.351 -0.198 -12.206 1.00 0.00 C ATOM 0 H LEU A 49 1.177 -1.295 -15.844 1.00 0.00 H new ATOM 0 HA LEU A 49 2.644 -1.065 -13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.425 -2.922 -14.315 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.011 -2.806 -12.667 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.278 -0.538 -14.215 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.205 -0.902 -12.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.872 -2.327 -13.738 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.388 -2.320 -12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.384 0.586 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.507 -0.770 -11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.293 0.254 -12.517 1.00 0.00 H new ATOM 821 N PHE A 50 3.226 -3.540 -15.406 1.00 0.00 N ATOM 822 CA PHE A 50 4.071 -4.698 -15.687 1.00 0.00 C ATOM 823 C PHE A 50 5.542 -4.304 -15.852 1.00 0.00 C ATOM 824 O PHE A 50 6.438 -5.119 -15.624 1.00 0.00 O ATOM 825 CB PHE A 50 3.551 -5.441 -16.929 1.00 0.00 C ATOM 826 CG PHE A 50 4.337 -6.670 -17.300 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.530 -7.693 -16.384 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.876 -6.804 -18.569 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.245 -8.824 -16.729 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.592 -7.933 -18.918 1.00 0.00 C ATOM 831 CZ PHE A 50 5.776 -8.943 -17.997 1.00 0.00 C ATOM 0 H PHE A 50 2.685 -3.220 -16.209 1.00 0.00 H new ATOM 0 HA PHE A 50 4.019 -5.370 -14.830 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.514 -5.728 -16.757 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.555 -4.754 -17.775 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.117 -7.605 -15.390 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.735 -6.016 -19.294 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.388 -9.614 -16.007 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.007 -8.024 -19.911 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.335 -9.826 -18.268 1.00 0.00 H new ATOM 841 N ASP A 51 5.789 -3.064 -16.267 1.00 0.00 N ATOM 842 CA ASP A 51 7.163 -2.587 -16.476 1.00 0.00 C ATOM 843 C ASP A 51 7.984 -2.669 -15.188 1.00 0.00 C ATOM 844 O ASP A 51 9.186 -2.932 -15.223 1.00 0.00 O ATOM 845 CB ASP A 51 7.182 -1.157 -17.031 1.00 0.00 C ATOM 846 CG ASP A 51 6.794 -1.091 -18.495 1.00 0.00 C ATOM 847 OD1 ASP A 51 5.898 -0.302 -18.845 1.00 0.00 O ATOM 848 OD2 ASP A 51 7.390 -1.829 -19.306 1.00 0.00 O1- ATOM 0 H ASP A 51 5.066 -2.373 -16.465 1.00 0.00 H new ATOM 0 HA ASP A 51 7.621 -3.245 -17.215 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.499 -0.537 -16.450 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.179 -0.736 -16.905 1.00 0.00 H new ATOM 853 N ASN A 52 7.328 -2.450 -14.059 1.00 0.00 N ATOM 854 CA ASN A 52 7.970 -2.553 -12.751 1.00 0.00 C ATOM 855 C ASN A 52 7.072 -3.339 -11.823 1.00 0.00 C ATOM 856 O ASN A 52 5.891 -3.031 -11.717 1.00 0.00 O ATOM 857 CB ASN A 52 8.259 -1.167 -12.152 1.00 0.00 C ATOM 858 CG ASN A 52 9.393 -0.441 -12.854 1.00 0.00 C ATOM 859 OD1 ASN A 52 10.566 -0.607 -12.505 1.00 0.00 O ATOM 860 ND2 ASN A 52 9.056 0.376 -13.831 1.00 0.00 N ATOM 0 H ASN A 52 6.341 -2.197 -14.020 1.00 0.00 H new ATOM 0 HA ASN A 52 8.925 -3.064 -12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.356 -0.558 -12.207 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.505 -1.278 -11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.776 0.899 -14.329 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.075 0.485 -14.089 1.00 0.00 H new ATOM 867 N ARG A 53 7.649 -4.318 -11.114 1.00 0.00 N ATOM 868 CA ARG A 53 6.902 -5.262 -10.257 1.00 0.00 C ATOM 869 C ARG A 53 6.201 -6.286 -11.121 1.00 0.00 C ATOM 870 O ARG A 53 4.982 -6.252 -11.298 1.00 0.00 O ATOM 871 CB ARG A 53 5.897 -4.556 -9.339 1.00 0.00 C ATOM 872 CG ARG A 53 6.503 -3.483 -8.455 1.00 0.00 C ATOM 873 CD ARG A 53 5.459 -2.453 -8.089 1.00 0.00 C ATOM 874 NE ARG A 53 4.827 -1.900 -9.291 1.00 0.00 N ATOM 875 CZ ARG A 53 3.862 -0.983 -9.293 1.00 0.00 C ATOM 876 NH1 ARG A 53 3.404 -0.482 -8.150 1.00 0.00 N1+ ATOM 877 NH2 ARG A 53 3.351 -0.572 -10.444 1.00 0.00 N ATOM 0 H ARG A 53 8.656 -4.483 -11.116 1.00 0.00 H new ATOM 0 HA ARG A 53 7.623 -5.758 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.117 -4.106 -9.953 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.415 -5.301 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.911 -3.935 -7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.333 -3.002 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.701 -2.908 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.920 -1.650 -7.513 1.00 0.00 H new ATOM 0 HE ARG A 53 5.152 -2.244 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.792 -0.800 -7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.664 0.220 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.697 -0.958 -11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.611 0.130 -10.452 1.00 0.00 H new ATOM 891 N GLN A 54 6.982 -7.187 -11.678 1.00 0.00 N ATOM 892 CA GLN A 54 6.461 -8.194 -12.569 1.00 0.00 C ATOM 893 C GLN A 54 5.943 -9.391 -11.793 1.00 0.00 C ATOM 894 O GLN A 54 6.646 -10.390 -11.618 1.00 0.00 O ATOM 895 CB GLN A 54 7.532 -8.629 -13.567 1.00 0.00 C ATOM 896 CG GLN A 54 8.102 -7.486 -14.386 1.00 0.00 C ATOM 897 CD GLN A 54 9.165 -7.941 -15.358 1.00 0.00 C ATOM 898 OE1 GLN A 54 8.871 -8.285 -16.503 1.00 0.00 O ATOM 899 NE2 GLN A 54 10.404 -7.943 -14.916 1.00 0.00 N ATOM 0 H GLN A 54 7.989 -7.240 -11.525 1.00 0.00 H new ATOM 0 HA GLN A 54 5.626 -7.760 -13.119 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.343 -9.117 -13.027 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.107 -9.372 -14.242 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.296 -7.001 -14.936 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.525 -6.739 -13.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.605 -7.650 -13.960 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.164 -8.237 -15.530 1.00 0.00 H new ATOM 908 N GLU A 55 4.735 -9.277 -11.297 1.00 0.00 N ATOM 909 CA GLU A 55 4.115 -10.359 -10.575 1.00 0.00 C ATOM 910 C GLU A 55 3.486 -11.329 -11.551 1.00 0.00 C ATOM 911 O GLU A 55 2.842 -10.911 -12.513 1.00 0.00 O ATOM 912 CB GLU A 55 3.088 -9.834 -9.582 1.00 0.00 C ATOM 913 CG GLU A 55 3.708 -9.082 -8.417 1.00 0.00 C ATOM 914 CD GLU A 55 4.716 -9.924 -7.668 1.00 0.00 C ATOM 915 OE1 GLU A 55 4.314 -10.943 -7.072 1.00 0.00 O ATOM 916 OE2 GLU A 55 5.915 -9.582 -7.682 1.00 0.00 O1- ATOM 0 H GLU A 55 4.159 -8.439 -11.382 1.00 0.00 H new ATOM 0 HA GLU A 55 4.879 -10.885 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.394 -9.175 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.505 -10.670 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.194 -8.179 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.922 -8.764 -7.732 1.00 0.00 H new ATOM 923 N ALA A 56 3.692 -12.627 -11.304 1.00 0.00 N ATOM 924 CA ALA A 56 3.214 -13.682 -12.202 1.00 0.00 C ATOM 925 C ALA A 56 3.897 -13.553 -13.562 1.00 0.00 C ATOM 926 O ALA A 56 3.328 -13.905 -14.598 1.00 0.00 O ATOM 927 CB ALA A 56 1.691 -13.640 -12.343 1.00 0.00 C ATOM 0 H ALA A 56 4.190 -12.973 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 56 3.472 -14.650 -11.772 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.366 -14.434 -13.015 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.231 -13.781 -11.365 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.390 -12.675 -12.750 1.00 0.00 H new ATOM 933 N ALA A 57 5.143 -13.059 -13.530 1.00 0.00 N ATOM 934 CA ALA A 57 5.943 -12.844 -14.731 1.00 0.00 C ATOM 935 C ALA A 57 6.097 -14.121 -15.540 1.00 0.00 C ATOM 936 O ALA A 57 6.051 -15.232 -14.991 1.00 0.00 O ATOM 937 CB ALA A 57 7.311 -12.292 -14.358 1.00 0.00 C ATOM 0 H ALA A 57 5.620 -12.799 -12.667 1.00 0.00 H new ATOM 0 HA ALA A 57 5.418 -12.119 -15.353 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.899 -12.136 -15.262 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.190 -11.343 -13.835 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.825 -13.001 -13.709 1.00 0.00 H new ATOM 943 N ASP A 58 6.322 -13.956 -16.835 1.00 0.00 N ATOM 944 CA ASP A 58 6.436 -15.078 -17.759 1.00 0.00 C ATOM 945 C ASP A 58 6.734 -14.582 -19.164 1.00 0.00 C ATOM 946 O ASP A 58 6.279 -13.507 -19.558 1.00 0.00 O ATOM 947 CB ASP A 58 5.150 -15.912 -17.754 1.00 0.00 C ATOM 948 CG ASP A 58 5.175 -17.027 -18.769 1.00 0.00 C ATOM 949 OD1 ASP A 58 4.265 -17.080 -19.603 1.00 0.00 O ATOM 950 OD2 ASP A 58 6.113 -17.848 -18.739 1.00 0.00 O1- ATOM 0 H ASP A 58 6.431 -13.043 -17.276 1.00 0.00 H new ATOM 0 HA ASP A 58 7.261 -15.710 -17.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.000 -16.334 -16.760 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.299 -15.261 -17.956 1.00 0.00 H new ATOM 955 N THR A 59 7.489 -15.364 -19.915 1.00 0.00 N ATOM 956 CA THR A 59 7.863 -14.993 -21.265 1.00 0.00 C ATOM 957 C THR A 59 6.699 -15.227 -22.225 1.00 0.00 C ATOM 958 O THR A 59 6.427 -14.407 -23.103 1.00 0.00 O ATOM 959 CB THR A 59 9.072 -15.821 -21.746 1.00 0.00 C ATOM 960 OG1 THR A 59 10.058 -15.886 -20.708 1.00 0.00 O ATOM 961 CG2 THR A 59 9.693 -15.201 -22.992 1.00 0.00 C ATOM 0 H THR A 59 7.856 -16.265 -19.609 1.00 0.00 H new ATOM 0 HA THR A 59 8.127 -13.936 -21.255 1.00 0.00 H new ATOM 0 HB THR A 59 8.724 -16.825 -21.990 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.824 -16.414 -21.017 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.544 -15.803 -23.312 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.951 -15.167 -23.790 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.029 -14.189 -22.766 1.00 0.00 H new ATOM 969 N GLU A 60 6.000 -16.336 -22.026 1.00 0.00 N ATOM 970 CA GLU A 60 4.910 -16.728 -22.900 1.00 0.00 C ATOM 971 C GLU A 60 3.735 -15.752 -22.773 1.00 0.00 C ATOM 972 O GLU A 60 3.173 -15.304 -23.774 1.00 0.00 O ATOM 973 CB GLU A 60 4.467 -18.151 -22.553 1.00 0.00 C ATOM 974 CG GLU A 60 3.615 -18.819 -23.611 1.00 0.00 C ATOM 975 CD GLU A 60 4.355 -19.008 -24.917 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.860 -18.529 -25.956 1.00 0.00 O ATOM 977 OE2 GLU A 60 5.431 -19.645 -24.910 1.00 0.00 O1- ATOM 0 H GLU A 60 6.173 -16.984 -21.258 1.00 0.00 H new ATOM 0 HA GLU A 60 5.256 -16.702 -23.933 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.353 -18.762 -22.379 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.909 -18.126 -21.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.280 -19.789 -23.244 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.722 -18.218 -23.787 1.00 0.00 H new ATOM 984 N ALA A 61 3.380 -15.416 -21.537 1.00 0.00 N ATOM 985 CA ALA A 61 2.295 -14.478 -21.273 1.00 0.00 C ATOM 986 C ALA A 61 2.588 -13.108 -21.872 1.00 0.00 C ATOM 987 O ALA A 61 1.723 -12.499 -22.498 1.00 0.00 O ATOM 988 CB ALA A 61 2.047 -14.360 -19.776 1.00 0.00 C ATOM 0 H ALA A 61 3.831 -15.782 -20.698 1.00 0.00 H new ATOM 0 HA ALA A 61 1.395 -14.866 -21.750 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.234 -13.656 -19.596 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.777 -15.336 -19.374 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.952 -14.003 -19.284 1.00 0.00 H new ATOM 994 N ALA A 62 3.814 -12.633 -21.691 1.00 0.00 N ATOM 995 CA ALA A 62 4.217 -11.341 -22.230 1.00 0.00 C ATOM 996 C ALA A 62 4.202 -11.361 -23.758 1.00 0.00 C ATOM 997 O ALA A 62 3.834 -10.378 -24.399 1.00 0.00 O ATOM 998 CB ALA A 62 5.594 -10.958 -21.713 1.00 0.00 C ATOM 0 H ALA A 62 4.545 -13.123 -21.176 1.00 0.00 H new ATOM 0 HA ALA A 62 3.500 -10.591 -21.895 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.881 -9.990 -22.125 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.570 -10.897 -20.625 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.320 -11.712 -22.018 1.00 0.00 H new ATOM 1004 N LYS A 63 4.596 -12.494 -24.329 1.00 0.00 N ATOM 1005 CA LYS A 63 4.617 -12.664 -25.779 1.00 0.00 C ATOM 1006 C LYS A 63 3.211 -12.539 -26.361 1.00 0.00 C ATOM 1007 O LYS A 63 3.003 -11.844 -27.358 1.00 0.00 O ATOM 1008 CB LYS A 63 5.200 -14.027 -26.132 1.00 0.00 C ATOM 1009 CG LYS A 63 5.267 -14.311 -27.619 1.00 0.00 C ATOM 1010 CD LYS A 63 5.658 -15.748 -27.871 1.00 0.00 C ATOM 1011 CE LYS A 63 5.774 -16.047 -29.352 1.00 0.00 C ATOM 1012 NZ LYS A 63 6.051 -17.481 -29.597 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.907 -13.313 -23.807 1.00 0.00 H new ATOM 0 HA LYS A 63 5.240 -11.879 -26.208 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.204 -14.098 -25.715 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.600 -14.801 -25.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.299 -14.106 -28.077 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.990 -13.644 -28.089 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.610 -15.957 -27.382 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.917 -16.410 -27.423 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.850 -15.763 -29.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.571 -15.442 -29.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.124 -17.650 -30.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.946 -17.745 -29.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.278 -18.056 -29.205 1.00 0.00 H new ATOM 1026 N GLN A 64 2.247 -13.194 -25.728 1.00 0.00 N ATOM 1027 CA GLN A 64 0.860 -13.111 -26.165 1.00 0.00 C ATOM 1028 C GLN A 64 0.292 -11.736 -25.864 1.00 0.00 C ATOM 1029 O GLN A 64 -0.587 -11.248 -26.572 1.00 0.00 O ATOM 1030 CB GLN A 64 0.004 -14.207 -25.521 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.090 -15.490 -26.344 1.00 0.00 C ATOM 1032 CD GLN A 64 1.253 -16.145 -26.591 1.00 0.00 C ATOM 1033 OE1 GLN A 64 1.928 -15.859 -27.581 1.00 0.00 O ATOM 1034 NE2 GLN A 64 1.640 -17.037 -25.708 1.00 0.00 N ATOM 0 H GLN A 64 2.399 -13.787 -24.912 1.00 0.00 H new ATOM 0 HA GLN A 64 0.837 -13.268 -27.243 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.417 -14.446 -24.541 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.001 -13.819 -25.357 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.741 -16.196 -25.829 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.558 -15.265 -27.302 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.051 -17.245 -24.901 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.529 -17.522 -25.829 1.00 0.00 H new ATOM 1043 N GLY A 65 0.809 -11.117 -24.811 1.00 0.00 N ATOM 1044 CA GLY A 65 0.371 -9.787 -24.447 1.00 0.00 C ATOM 1045 C GLY A 65 0.716 -8.790 -25.530 1.00 0.00 C ATOM 1046 O GLY A 65 -0.131 -8.006 -25.958 1.00 0.00 O ATOM 0 H GLY A 65 1.525 -11.514 -24.203 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.706 -9.788 -24.278 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.841 -9.489 -23.510 1.00 0.00 H new ATOM 1050 N ASP A 66 1.962 -8.835 -25.985 1.00 0.00 N ATOM 1051 CA ASP A 66 2.412 -7.989 -27.086 1.00 0.00 C ATOM 1052 C ASP A 66 1.688 -8.341 -28.371 1.00 0.00 C ATOM 1053 O ASP A 66 1.360 -7.462 -29.171 1.00 0.00 O ATOM 1054 CB ASP A 66 3.927 -8.080 -27.284 1.00 0.00 C ATOM 1055 CG ASP A 66 4.684 -7.122 -26.391 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.694 -5.907 -26.695 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.271 -7.568 -25.390 1.00 0.00 O1- ATOM 0 H ASP A 66 2.682 -9.451 -25.607 1.00 0.00 H new ATOM 0 HA ASP A 66 2.171 -6.959 -26.823 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.257 -9.099 -27.081 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.168 -7.869 -28.326 1.00 0.00 H new ATOM 1062 N GLN A 67 1.424 -9.631 -28.559 1.00 0.00 N ATOM 1063 CA GLN A 67 0.715 -10.106 -29.739 1.00 0.00 C ATOM 1064 C GLN A 67 -0.678 -9.492 -29.794 1.00 0.00 C ATOM 1065 O GLN A 67 -1.119 -9.018 -30.839 1.00 0.00 O ATOM 1066 CB GLN A 67 0.600 -11.637 -29.696 1.00 0.00 C ATOM 1067 CG GLN A 67 -0.185 -12.240 -30.852 1.00 0.00 C ATOM 1068 CD GLN A 67 -0.461 -13.722 -30.661 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -1.491 -14.114 -30.096 1.00 0.00 O ATOM 1070 NE2 GLN A 67 0.451 -14.553 -31.122 1.00 0.00 N ATOM 0 H GLN A 67 1.692 -10.367 -27.906 1.00 0.00 H new ATOM 0 HA GLN A 67 1.272 -9.810 -30.628 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.603 -12.065 -29.691 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.125 -11.928 -28.759 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.131 -11.709 -30.960 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.370 -12.094 -31.779 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.286 -14.190 -31.582 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.322 -15.560 -31.019 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.344 -9.466 -28.648 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.687 -8.924 -28.550 1.00 0.00 C ATOM 1081 C TRP A 68 -2.673 -7.427 -28.853 1.00 0.00 C ATOM 1082 O TRP A 68 -3.574 -6.908 -29.509 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.276 -9.188 -27.157 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.745 -8.888 -27.058 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.763 -9.745 -27.352 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.361 -7.663 -26.641 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.971 -9.137 -27.152 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.756 -7.856 -26.713 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.874 -6.426 -26.213 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.664 -6.858 -26.373 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.778 -5.437 -25.878 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.158 -5.658 -25.959 1.00 0.00 C ATOM 0 H TRP A 68 -0.970 -9.818 -27.767 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.318 -9.422 -29.285 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.108 -10.232 -26.893 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.740 -8.584 -26.425 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.634 -10.761 -27.695 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.884 -9.566 -27.305 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.811 -6.246 -26.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.729 -7.026 -26.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.414 -4.476 -25.548 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.837 -4.863 -25.689 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.627 -6.745 -28.388 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.498 -5.308 -28.599 1.00 0.00 C ATOM 1105 C VAL A 69 -1.348 -4.998 -30.083 1.00 0.00 C ATOM 1106 O VAL A 69 -2.013 -4.108 -30.609 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.294 -4.707 -27.830 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.123 -3.225 -28.165 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.470 -4.893 -26.331 1.00 0.00 C ATOM 0 H VAL A 69 -0.859 -7.165 -27.864 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.409 -4.851 -28.213 1.00 0.00 H new ATOM 0 HB VAL A 69 0.606 -5.237 -28.142 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.728 -2.823 -27.614 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.051 -3.112 -29.235 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.026 -2.682 -27.885 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.385 -4.465 -25.808 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.382 -4.391 -26.007 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.540 -5.956 -26.102 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.493 -5.758 -30.760 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.260 -5.553 -32.182 1.00 0.00 C ATOM 1121 C GLN A 70 -1.508 -5.892 -32.983 1.00 0.00 C ATOM 1122 O GLN A 70 -1.845 -5.204 -33.945 1.00 0.00 O ATOM 1123 CB GLN A 70 0.925 -6.389 -32.666 1.00 0.00 C ATOM 1124 CG GLN A 70 2.258 -5.981 -32.055 1.00 0.00 C ATOM 1125 CD GLN A 70 3.414 -6.805 -32.584 1.00 0.00 C ATOM 1126 OE1 GLN A 70 3.249 -7.973 -32.940 1.00 0.00 O ATOM 1127 NE2 GLN A 70 4.588 -6.206 -32.650 1.00 0.00 N ATOM 0 H GLN A 70 0.047 -6.518 -30.347 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.023 -4.500 -32.337 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.736 -7.437 -32.435 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.994 -6.309 -33.751 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.442 -4.927 -32.263 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.205 -6.088 -30.972 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.684 -5.237 -32.345 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.399 -6.712 -33.006 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.199 -6.950 -32.570 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.436 -7.357 -33.219 1.00 0.00 C ATOM 1138 C LEU A 71 -4.507 -6.293 -33.035 1.00 0.00 C ATOM 1139 O LEU A 71 -5.227 -5.966 -33.969 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.928 -8.687 -32.651 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.088 -9.917 -32.981 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.534 -11.096 -32.138 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.198 -10.254 -34.459 1.00 0.00 C ATOM 0 H LEU A 71 -1.921 -7.541 -31.787 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.236 -7.480 -34.283 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.987 -8.595 -31.567 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.942 -8.859 -33.012 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.045 -9.698 -32.753 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.927 -11.968 -32.382 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.414 -10.854 -31.082 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.582 -11.314 -32.343 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.593 -11.134 -34.678 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.239 -10.458 -34.709 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.841 -9.412 -35.052 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.597 -5.746 -31.822 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.575 -4.705 -31.537 1.00 0.00 C ATOM 1157 C PHE A 72 -5.238 -3.446 -32.302 1.00 0.00 C ATOM 1158 O PHE A 72 -6.117 -2.792 -32.848 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.667 -4.386 -30.037 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.619 -3.250 -29.750 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.976 -3.485 -29.603 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.156 -1.940 -29.657 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.853 -2.442 -29.370 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -7.027 -0.896 -29.423 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.377 -1.146 -29.280 1.00 0.00 C ATOM 0 H PHE A 72 -4.009 -6.006 -31.030 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.546 -5.084 -31.856 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.993 -5.275 -29.498 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.676 -4.131 -29.661 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.353 -4.495 -29.671 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.101 -1.739 -29.770 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.909 -2.639 -29.258 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.653 0.115 -29.352 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.061 -0.330 -29.098 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.961 -3.113 -32.337 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.494 -1.941 -33.035 1.00 0.00 C ATOM 1177 C GLN A 73 -3.850 -2.056 -34.514 1.00 0.00 C ATOM 1178 O GLN A 73 -4.345 -1.114 -35.124 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.984 -1.826 -32.847 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.394 -0.527 -33.319 1.00 0.00 C ATOM 1181 CD GLN A 73 -2.013 0.675 -32.638 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -2.979 1.255 -33.131 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -1.469 1.049 -31.500 1.00 0.00 N ATOM 0 H GLN A 73 -3.223 -3.650 -31.881 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.970 -1.045 -32.636 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.752 -1.953 -31.790 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.501 -2.645 -33.380 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.320 -0.532 -33.134 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.531 -0.440 -34.397 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.668 0.540 -31.126 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.848 1.848 -30.992 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.613 -3.235 -35.060 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.943 -3.539 -36.440 1.00 0.00 C ATOM 1194 C ARG A 74 -5.464 -3.530 -36.642 1.00 0.00 C ATOM 1195 O ARG A 74 -5.962 -3.038 -37.648 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.356 -4.897 -36.803 1.00 0.00 C ATOM 1197 CG ARG A 74 -3.547 -5.309 -38.244 1.00 0.00 C ATOM 1198 CD ARG A 74 -2.667 -6.496 -38.569 1.00 0.00 C ATOM 1199 NE ARG A 74 -1.249 -6.188 -38.355 1.00 0.00 N ATOM 1200 CZ ARG A 74 -0.304 -7.097 -38.109 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -0.605 -8.389 -38.089 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 0.944 -6.710 -37.887 1.00 0.00 N ATOM 0 H ARG A 74 -3.184 -4.012 -34.556 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.517 -2.778 -37.094 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.289 -4.886 -36.582 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.806 -5.654 -36.161 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.592 -5.562 -38.422 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.304 -4.476 -38.903 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.954 -7.344 -37.947 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.823 -6.793 -39.606 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.965 -5.209 -38.397 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.563 -8.692 -38.262 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.122 -9.079 -37.900 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.181 -5.718 -37.904 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.667 -7.404 -37.699 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.179 -4.072 -35.666 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.641 -4.104 -35.693 1.00 0.00 C ATOM 1218 C PHE A 75 -8.204 -2.688 -35.689 1.00 0.00 C ATOM 1219 O PHE A 75 -9.061 -2.349 -36.500 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.182 -4.894 -34.492 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.683 -4.875 -34.360 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.476 -5.665 -35.175 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.298 -4.069 -33.411 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.852 -5.650 -35.048 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.672 -4.052 -33.282 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.450 -4.842 -34.101 1.00 0.00 C ATOM 0 H PHE A 75 -5.768 -4.500 -34.836 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.958 -4.602 -36.609 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.850 -5.929 -34.574 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.744 -4.490 -33.579 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.015 -6.299 -35.917 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.694 -3.448 -32.766 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.460 -6.270 -35.690 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.137 -3.420 -32.540 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.525 -4.829 -34.002 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.707 -1.865 -34.781 1.00 0.00 N ATOM 1237 CA ARG A 76 -8.142 -0.486 -34.678 1.00 0.00 C ATOM 1238 C ARG A 76 -7.790 0.281 -35.950 1.00 0.00 C ATOM 1239 O ARG A 76 -8.592 1.067 -36.451 1.00 0.00 O ATOM 1240 CB ARG A 76 -7.528 0.179 -33.432 1.00 0.00 C ATOM 1241 CG ARG A 76 -8.036 1.588 -33.171 1.00 0.00 C ATOM 1242 CD ARG A 76 -7.084 2.644 -33.708 1.00 0.00 C ATOM 1243 NE ARG A 76 -7.805 3.769 -34.306 1.00 0.00 N ATOM 1244 CZ ARG A 76 -8.353 4.773 -33.622 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -8.246 4.830 -32.289 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -8.999 5.728 -34.276 1.00 0.00 N ATOM 0 H ARG A 76 -6.996 -2.133 -34.100 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.226 -0.466 -34.567 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.740 -0.440 -32.560 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.444 0.209 -33.545 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.015 1.712 -33.635 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.170 1.732 -32.099 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.449 3.007 -32.899 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.426 2.196 -34.453 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.895 3.786 -35.322 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.741 4.100 -31.786 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.669 5.603 -31.776 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.073 5.690 -35.293 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.422 6.501 -33.763 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.606 0.008 -36.485 1.00 0.00 N ATOM 1261 CA GLU A 77 -6.133 0.641 -37.704 1.00 0.00 C ATOM 1262 C GLU A 77 -7.022 0.231 -38.877 1.00 0.00 C ATOM 1263 O GLU A 77 -7.290 1.019 -39.784 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.690 0.211 -37.969 1.00 0.00 C ATOM 1265 CG GLU A 77 -4.055 0.862 -39.171 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.711 0.258 -39.507 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -1.714 0.600 -38.842 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -2.644 -0.567 -40.448 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.948 -0.660 -36.083 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.173 1.724 -37.592 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.089 0.438 -37.089 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.665 -0.871 -38.102 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.720 0.763 -40.029 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.935 1.929 -38.983 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.495 -1.004 -38.832 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.348 -1.545 -39.867 1.00 0.00 C ATOM 1277 C ALA A 78 -9.700 -0.849 -39.871 1.00 0.00 C ATOM 1278 O ALA A 78 -10.331 -0.709 -40.922 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.508 -3.047 -39.699 1.00 0.00 C ATOM 0 H ALA A 78 -7.296 -1.657 -38.074 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.874 -1.362 -40.831 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.153 -3.435 -40.487 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.531 -3.526 -39.761 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.955 -3.259 -38.728 1.00 0.00 H new ATOM 1285 N ILE A 79 -10.145 -0.391 -38.693 1.00 0.00 N ATOM 1286 CA ILE A 79 -11.417 0.306 -38.575 1.00 0.00 C ATOM 1287 C ILE A 79 -11.283 1.679 -39.207 1.00 0.00 C ATOM 1288 O ILE A 79 -12.208 2.185 -39.849 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.830 0.485 -37.083 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -12.014 -0.873 -36.406 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -13.109 1.313 -36.970 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -12.307 -0.788 -34.924 1.00 0.00 C ATOM 0 H ILE A 79 -9.638 -0.494 -37.814 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.181 -0.286 -39.079 1.00 0.00 H new ATOM 0 HB ILE A 79 -11.028 1.019 -36.573 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.829 -1.405 -36.897 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.112 -1.466 -36.554 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -13.378 1.425 -35.920 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.945 2.297 -37.410 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.917 0.809 -37.500 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.424 -1.793 -34.518 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.482 -0.286 -34.418 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.226 -0.224 -34.767 1.00 0.00 H new ATOM 1304 N ASP A 80 -10.103 2.262 -39.048 1.00 0.00 N ATOM 1305 CA ASP A 80 -9.808 3.575 -39.594 1.00 0.00 C ATOM 1306 C ASP A 80 -9.762 3.481 -41.116 1.00 0.00 C ATOM 1307 O ASP A 80 -10.161 4.404 -41.832 1.00 0.00 O ATOM 1308 CB ASP A 80 -8.453 4.087 -39.069 1.00 0.00 C ATOM 1309 CG ASP A 80 -8.409 4.283 -37.556 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -9.264 5.008 -37.000 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.502 3.728 -36.919 1.00 0.00 O1- ATOM 0 H ASP A 80 -9.327 1.838 -38.539 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.586 4.273 -39.285 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.673 3.382 -39.357 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.221 5.035 -39.555 1.00 0.00 H new ATOM 1316 N LYS A 81 -9.291 2.334 -41.600 1.00 0.00 N ATOM 1317 CA LYS A 81 -9.169 2.071 -43.032 1.00 0.00 C ATOM 1318 C LYS A 81 -10.494 1.601 -43.638 1.00 0.00 C ATOM 1319 O LYS A 81 -10.611 1.482 -44.857 1.00 0.00 O ATOM 1320 CB LYS A 81 -8.087 1.014 -43.290 1.00 0.00 C ATOM 1321 CG LYS A 81 -6.686 1.423 -42.850 1.00 0.00 C ATOM 1322 CD LYS A 81 -6.142 2.586 -43.673 1.00 0.00 C ATOM 1323 CE LYS A 81 -5.917 2.192 -45.130 1.00 0.00 C ATOM 1324 NZ LYS A 81 -4.951 1.068 -45.261 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.983 1.561 -41.011 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.889 3.009 -43.511 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.363 0.096 -42.772 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.067 0.785 -44.356 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.705 1.703 -41.797 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.014 0.569 -42.941 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.840 3.422 -43.626 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.203 2.930 -43.240 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.868 1.907 -45.579 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.548 3.054 -45.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.645 0.987 -46.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.124 1.249 -44.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.408 0.182 -44.966 1.00 0.00 H new ATOM 1338 N GLY A 82 -11.485 1.338 -42.791 1.00 0.00 N ATOM 1339 CA GLY A 82 -12.773 0.871 -43.280 1.00 0.00 C ATOM 1340 C GLY A 82 -12.719 -0.528 -43.865 1.00 0.00 C ATOM 1341 O GLY A 82 -13.547 -0.885 -44.708 1.00 0.00 O ATOM 0 H GLY A 82 -11.421 1.439 -41.778 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.493 0.888 -42.462 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.138 1.562 -44.040 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.760 -1.320 -43.427 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.599 -2.671 -43.949 1.00 0.00 C ATOM 1347 C ASP A 83 -12.357 -3.670 -43.095 1.00 0.00 C ATOM 1348 O ASP A 83 -11.877 -4.102 -42.054 1.00 0.00 O ATOM 1349 CB ASP A 83 -10.133 -3.063 -44.050 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.943 -4.322 -44.868 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -10.170 -5.423 -44.334 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.562 -4.210 -46.052 1.00 0.00 O1- ATOM 0 H ASP A 83 -11.080 -1.056 -42.713 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.016 -2.684 -44.956 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.569 -2.247 -44.502 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.728 -3.215 -43.050 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.538 -4.030 -43.549 1.00 0.00 N ATOM 1358 CA LYS A 84 -14.419 -4.908 -42.792 1.00 0.00 C ATOM 1359 C LYS A 84 -13.918 -6.354 -42.810 1.00 0.00 C ATOM 1360 O LYS A 84 -14.114 -7.104 -41.849 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.847 -4.825 -43.332 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.856 -5.643 -42.543 1.00 0.00 C ATOM 1363 CD LYS A 84 -18.269 -5.386 -43.030 1.00 0.00 C ATOM 1364 CE LYS A 84 -19.283 -6.199 -42.245 1.00 0.00 C ATOM 1365 NZ LYS A 84 -19.151 -7.654 -42.506 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.917 -3.728 -44.446 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.417 -4.571 -41.755 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.163 -3.782 -43.335 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.852 -5.162 -44.368 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.623 -6.703 -42.638 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.782 -5.394 -41.484 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.500 -4.325 -42.936 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.342 -5.636 -44.089 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.154 -6.009 -41.180 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -20.290 -5.874 -42.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.952 -8.158 -42.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.147 -7.824 -43.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.261 -8.001 -42.094 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.258 -6.727 -43.900 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.760 -8.094 -44.075 1.00 0.00 C ATOM 1381 C ASP A 85 -11.750 -8.463 -43.008 1.00 0.00 C ATOM 1382 O ASP A 85 -11.842 -9.531 -42.391 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.139 -8.278 -45.463 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.158 -8.185 -46.572 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.879 -9.168 -46.805 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.248 -7.122 -47.217 1.00 0.00 O1- ATOM 0 H ASP A 85 -13.053 -6.103 -44.680 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.617 -8.760 -43.979 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.371 -7.520 -45.616 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.644 -9.248 -45.510 1.00 0.00 H new ATOM 1391 N SER A 86 -10.784 -7.592 -42.790 1.00 0.00 N ATOM 1392 CA SER A 86 -9.766 -7.836 -41.794 1.00 0.00 C ATOM 1393 C SER A 86 -10.324 -7.719 -40.381 1.00 0.00 C ATOM 1394 O SER A 86 -9.882 -8.427 -39.486 1.00 0.00 O ATOM 1395 CB SER A 86 -8.575 -6.892 -41.986 1.00 0.00 C ATOM 1396 OG SER A 86 -8.995 -5.543 -42.034 1.00 0.00 O ATOM 0 H SER A 86 -10.685 -6.709 -43.291 1.00 0.00 H new ATOM 0 HA SER A 86 -9.418 -8.860 -41.928 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.866 -7.026 -41.169 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.051 -7.146 -42.908 1.00 0.00 H new ATOM 0 HG SER A 86 -9.766 -5.461 -42.634 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.327 -6.858 -40.193 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.884 -6.614 -38.861 1.00 0.00 C ATOM 1404 C LEU A 87 -12.456 -7.879 -38.249 1.00 0.00 C ATOM 1405 O LEU A 87 -12.144 -8.210 -37.111 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.972 -5.538 -38.915 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.491 -4.125 -39.211 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.665 -3.163 -39.303 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.518 -3.675 -38.147 1.00 0.00 C ATOM 0 H LEU A 87 -11.767 -6.322 -40.941 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.063 -6.269 -38.232 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.699 -5.821 -39.676 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.497 -5.530 -37.960 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.981 -4.127 -40.174 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.297 -2.159 -39.515 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.334 -3.481 -40.103 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.207 -3.158 -38.357 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.180 -2.663 -38.368 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.010 -3.689 -37.175 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.661 -4.348 -38.130 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.271 -8.591 -39.006 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.863 -9.830 -38.520 1.00 0.00 C ATOM 1423 C GLU A 88 -12.790 -10.861 -38.176 1.00 0.00 C ATOM 1424 O GLU A 88 -12.822 -11.469 -37.113 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.840 -10.400 -39.548 1.00 0.00 C ATOM 1426 CG GLU A 88 -16.087 -9.551 -39.745 1.00 0.00 C ATOM 1427 CD GLU A 88 -17.005 -10.107 -40.807 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -17.520 -11.231 -40.631 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.220 -9.424 -41.830 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.539 -8.336 -39.957 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.412 -9.599 -37.607 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.327 -10.504 -40.504 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.138 -11.401 -39.236 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.628 -9.482 -38.801 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.793 -8.538 -40.018 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.824 -11.018 -39.065 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.758 -11.997 -38.875 1.00 0.00 C ATOM 1438 C GLN A 89 -9.865 -11.618 -37.680 1.00 0.00 C ATOM 1439 O GLN A 89 -9.521 -12.467 -36.854 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.937 -12.127 -40.174 1.00 0.00 C ATOM 1441 CG GLN A 89 -8.908 -13.260 -40.178 1.00 0.00 C ATOM 1442 CD GLN A 89 -7.594 -12.905 -39.497 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -7.165 -11.661 -39.628 1.00 0.00 O flip ATOM 1444 NE2 GLN A 89 -6.956 -13.756 -38.888 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.753 -10.480 -39.929 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.203 -12.966 -38.647 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.624 -12.277 -41.007 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.419 -11.185 -40.354 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.339 -14.130 -39.682 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.705 -13.549 -41.209 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.319 -14.706 -38.808 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.062 -13.515 -38.461 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.520 -10.342 -37.586 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.664 -9.854 -36.508 1.00 0.00 C ATOM 1455 C LEU A 90 -9.374 -9.921 -35.168 1.00 0.00 C ATOM 1456 O LEU A 90 -8.755 -10.194 -34.146 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.207 -8.419 -36.784 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.251 -8.236 -37.963 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -7.007 -6.761 -38.226 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.937 -8.951 -37.698 1.00 0.00 C ATOM 0 H LEU A 90 -9.819 -9.622 -38.244 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.788 -10.502 -36.467 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.090 -7.805 -36.959 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.723 -8.034 -35.886 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.710 -8.674 -38.849 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.324 -6.650 -39.068 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.953 -6.272 -38.458 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.568 -6.301 -37.340 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.268 -8.810 -38.547 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.474 -8.541 -36.800 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.124 -10.015 -37.556 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.676 -9.686 -35.181 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.462 -9.699 -33.962 1.00 0.00 C ATOM 1474 C LEU A 91 -11.521 -11.102 -33.369 1.00 0.00 C ATOM 1475 O LEU A 91 -11.391 -11.276 -32.155 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.866 -9.160 -34.227 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.750 -8.956 -32.998 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.070 -8.046 -31.983 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.088 -8.376 -33.411 1.00 0.00 C ATOM 0 H LEU A 91 -11.211 -9.484 -36.026 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.977 -9.048 -33.234 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.775 -8.206 -34.746 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.374 -9.845 -34.905 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.913 -9.926 -32.527 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.720 -7.917 -31.118 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.128 -8.494 -31.666 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -12.875 -7.075 -32.438 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.711 -8.234 -32.528 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -14.932 -7.416 -33.903 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.584 -9.060 -34.099 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.697 -12.104 -34.229 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.729 -13.492 -33.778 1.00 0.00 C ATOM 1493 C GLU A 92 -10.388 -13.867 -33.149 1.00 0.00 C ATOM 1494 O GLU A 92 -10.335 -14.558 -32.125 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.039 -14.444 -34.940 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.340 -14.145 -35.673 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.540 -14.061 -34.751 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.892 -15.080 -34.120 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.149 -12.983 -34.667 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.819 -11.981 -35.234 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.521 -13.588 -33.035 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.217 -14.404 -35.655 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.079 -15.464 -34.557 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.238 -13.203 -36.212 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.516 -14.921 -36.418 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.309 -13.397 -33.765 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.968 -13.647 -33.257 1.00 0.00 C ATOM 1508 C GLU A 93 -7.758 -12.901 -31.939 1.00 0.00 C ATOM 1509 O GLU A 93 -7.131 -13.418 -31.025 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.909 -13.232 -34.284 1.00 0.00 C ATOM 1511 CG GLU A 93 -5.468 -13.512 -33.852 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.156 -14.993 -33.707 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -5.092 -15.692 -34.740 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -4.944 -15.461 -32.568 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.339 -12.840 -34.619 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.861 -14.717 -33.076 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.103 -13.755 -35.220 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.014 -12.166 -34.487 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.787 -13.075 -34.582 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.279 -13.014 -32.901 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.318 -11.695 -31.839 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.205 -10.896 -30.622 1.00 0.00 C ATOM 1523 C LEU A 94 -8.858 -11.608 -29.458 1.00 0.00 C ATOM 1524 O LEU A 94 -8.304 -11.662 -28.359 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.853 -9.522 -30.803 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.024 -8.479 -31.542 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.841 -7.219 -31.757 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.763 -8.161 -30.758 1.00 0.00 C ATOM 0 H LEU A 94 -8.853 -11.252 -32.586 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.144 -10.760 -30.415 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.793 -9.655 -31.338 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.100 -9.127 -29.817 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.739 -8.881 -32.514 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.239 -6.481 -32.286 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.726 -7.456 -32.348 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.146 -6.814 -30.792 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.179 -7.415 -31.296 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.033 -7.772 -29.776 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.171 -9.068 -30.638 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.049 -12.138 -29.701 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.771 -12.887 -28.690 1.00 0.00 C ATOM 1542 C GLU A 95 -9.988 -14.116 -28.260 1.00 0.00 C ATOM 1543 O GLU A 95 -9.924 -14.442 -27.069 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.149 -13.302 -29.200 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.115 -12.146 -29.400 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.534 -12.612 -29.606 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.162 -13.068 -28.625 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.035 -12.528 -30.741 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.535 -12.061 -30.595 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.899 -12.235 -27.826 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.030 -13.829 -30.147 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.587 -14.009 -28.495 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.074 -11.488 -28.532 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.800 -11.558 -30.262 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.385 -14.795 -29.225 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.615 -15.988 -28.944 1.00 0.00 C ATOM 1557 C GLN A 96 -7.334 -15.632 -28.197 1.00 0.00 C ATOM 1558 O GLN A 96 -6.960 -16.299 -27.243 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.285 -16.728 -30.237 1.00 0.00 C ATOM 1560 CG GLN A 96 -7.787 -18.144 -30.019 1.00 0.00 C ATOM 1561 CD GLN A 96 -7.416 -18.833 -31.309 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -6.267 -18.788 -31.741 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -8.383 -19.467 -31.939 1.00 0.00 N ATOM 0 H GLN A 96 -9.417 -14.535 -30.211 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.215 -16.643 -28.313 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.175 -16.758 -30.865 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.528 -16.166 -30.784 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.919 -18.123 -29.360 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.559 -18.723 -29.511 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.324 -19.481 -31.546 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.191 -19.944 -32.820 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.679 -14.556 -28.635 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.433 -14.094 -28.025 1.00 0.00 C ATOM 1574 C ALA A 97 -5.668 -13.663 -26.589 1.00 0.00 C ATOM 1575 O ALA A 97 -4.834 -13.901 -25.714 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.830 -12.958 -28.840 1.00 0.00 C ATOM 0 H ALA A 97 -6.995 -13.984 -29.418 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.724 -14.922 -28.018 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.903 -12.626 -28.372 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.621 -13.307 -29.851 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.534 -12.126 -28.881 1.00 0.00 H new ATOM 1582 N LEU A 98 -6.818 -13.059 -26.348 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.199 -12.644 -25.010 1.00 0.00 C ATOM 1584 C LEU A 98 -7.336 -13.875 -24.122 1.00 0.00 C ATOM 1585 O LEU A 98 -6.897 -13.886 -22.968 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.519 -11.850 -25.055 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.153 -11.504 -23.700 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.629 -10.063 -23.693 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.317 -12.441 -23.400 1.00 0.00 C ATOM 0 H LEU A 98 -7.509 -12.844 -27.067 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.429 -11.993 -24.596 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.341 -10.921 -25.596 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.243 -12.423 -25.635 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.397 -11.629 -22.925 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.076 -9.832 -22.726 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.782 -9.399 -23.869 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.371 -9.921 -24.479 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.754 -12.181 -22.436 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.073 -12.343 -24.179 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.958 -13.470 -23.370 1.00 0.00 H new ATOM 1601 N GLN A 99 -7.934 -14.913 -24.684 1.00 0.00 N ATOM 1602 CA GLN A 99 -8.122 -16.159 -23.993 1.00 0.00 C ATOM 1603 C GLN A 99 -6.784 -16.857 -23.721 1.00 0.00 C ATOM 1604 O GLN A 99 -6.644 -17.558 -22.722 1.00 0.00 O ATOM 1605 CB GLN A 99 -9.050 -17.068 -24.791 1.00 0.00 C ATOM 1606 CG GLN A 99 -9.538 -18.273 -24.016 1.00 0.00 C ATOM 1607 CD GLN A 99 -10.331 -17.884 -22.781 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -9.772 -17.707 -21.697 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -11.634 -17.752 -22.935 1.00 0.00 N ATOM 0 H GLN A 99 -8.301 -14.906 -25.636 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.582 -15.944 -23.029 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.911 -16.489 -25.125 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.529 -17.409 -25.685 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.160 -18.891 -24.664 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.684 -18.881 -23.719 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.058 -17.907 -23.850 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.218 -17.494 -22.139 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.780 -16.630 -24.585 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.487 -17.290 -24.421 1.00 0.00 C ATOM 1620 C LYS A 100 -3.794 -16.706 -23.204 1.00 0.00 C ATOM 1621 O LYS A 100 -3.238 -17.429 -22.371 1.00 0.00 O ATOM 1622 CB LYS A 100 -3.584 -17.058 -25.655 1.00 0.00 C ATOM 1623 CG LYS A 100 -4.200 -17.437 -26.996 1.00 0.00 C ATOM 1624 CD LYS A 100 -3.314 -16.973 -28.158 1.00 0.00 C ATOM 1625 CE LYS A 100 -4.065 -16.996 -29.487 1.00 0.00 C ATOM 1626 NZ LYS A 100 -3.272 -16.379 -30.593 1.00 0.00 N1+ ATOM 0 H LYS A 100 -5.842 -16.005 -25.389 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.656 -18.360 -24.304 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.305 -16.005 -25.687 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.664 -17.627 -25.523 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.335 -18.517 -27.046 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.189 -16.988 -27.086 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.955 -15.963 -27.961 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.436 -17.616 -28.225 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.308 -18.026 -29.747 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.010 -16.463 -29.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.916 -16.045 -31.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.726 -15.576 -30.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.621 -17.086 -30.990 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.843 -15.379 -23.115 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.231 -14.640 -22.028 1.00 0.00 C ATOM 1642 C ILE A 101 -3.882 -14.988 -20.700 1.00 0.00 C ATOM 1643 O ILE A 101 -3.192 -15.232 -19.712 1.00 0.00 O ATOM 1644 CB ILE A 101 -3.341 -13.116 -22.266 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.617 -12.736 -23.555 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -2.763 -12.340 -21.082 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.837 -11.304 -23.978 1.00 0.00 C ATOM 0 H ILE A 101 -4.312 -14.789 -23.802 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.179 -14.922 -21.994 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.395 -12.855 -22.362 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.548 -12.906 -23.424 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.949 -13.397 -24.356 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.851 -11.270 -21.271 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.313 -12.595 -20.176 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.712 -12.601 -20.954 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.291 -11.109 -24.901 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.901 -11.132 -24.142 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.478 -10.634 -23.196 1.00 0.00 H new ATOM 1659 N ARG A 102 -5.216 -15.023 -20.680 1.00 0.00 N ATOM 1660 CA ARG A 102 -5.947 -15.339 -19.458 1.00 0.00 C ATOM 1661 C ARG A 102 -5.561 -16.698 -18.905 1.00 0.00 C ATOM 1662 O ARG A 102 -5.423 -16.852 -17.697 1.00 0.00 O ATOM 1663 CB ARG A 102 -7.458 -15.282 -19.684 1.00 0.00 C ATOM 1664 CG ARG A 102 -7.999 -13.886 -19.928 1.00 0.00 C ATOM 1665 CD ARG A 102 -9.518 -13.885 -19.947 1.00 0.00 C ATOM 1666 NE ARG A 102 -10.079 -14.362 -18.677 1.00 0.00 N ATOM 1667 CZ ARG A 102 -11.361 -14.702 -18.492 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -12.231 -14.607 -19.493 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -11.769 -15.132 -17.305 1.00 0.00 N ATOM 0 H ARG A 102 -5.806 -14.837 -21.491 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.672 -14.581 -18.724 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.710 -15.911 -20.537 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.960 -15.707 -18.815 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.641 -13.213 -19.149 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.620 -13.506 -20.877 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.878 -12.876 -20.147 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.872 -14.518 -20.761 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.448 -14.440 -17.879 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.923 -14.274 -20.407 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.206 -14.867 -19.347 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.106 -15.204 -16.533 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.746 -15.391 -17.164 1.00 0.00 H new ATOM 1683 N GLU A 103 -5.374 -17.678 -19.781 1.00 0.00 N ATOM 1684 CA GLU A 103 -4.976 -19.004 -19.335 1.00 0.00 C ATOM 1685 C GLU A 103 -3.636 -18.949 -18.624 1.00 0.00 C ATOM 1686 O GLU A 103 -3.470 -19.522 -17.556 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.893 -19.983 -20.499 1.00 0.00 C ATOM 1688 CG GLU A 103 -6.217 -20.261 -21.172 1.00 0.00 C ATOM 1689 CD GLU A 103 -6.117 -21.384 -22.171 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -5.620 -21.151 -23.293 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.534 -22.517 -21.836 1.00 0.00 O1- ATOM 0 H GLU A 103 -5.490 -17.581 -20.790 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.740 -19.355 -18.641 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.197 -19.590 -21.240 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.477 -20.924 -20.139 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.962 -20.513 -20.417 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.565 -19.358 -21.675 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.687 -18.247 -19.214 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.356 -18.124 -18.647 1.00 0.00 C ATOM 1700 C LEU A 104 -1.353 -17.263 -17.381 1.00 0.00 C ATOM 1701 O LEU A 104 -0.644 -17.562 -16.422 1.00 0.00 O ATOM 1702 CB LEU A 104 -0.412 -17.533 -19.693 1.00 0.00 C ATOM 1703 CG LEU A 104 -0.205 -18.386 -20.948 1.00 0.00 C ATOM 1704 CD1 LEU A 104 0.577 -17.616 -21.994 1.00 0.00 C ATOM 1705 CD2 LEU A 104 0.504 -19.689 -20.603 1.00 0.00 C ATOM 0 H LEU A 104 -2.815 -17.748 -20.095 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.014 -19.119 -18.361 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.797 -16.559 -19.996 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.558 -17.362 -19.227 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.185 -18.628 -21.360 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.714 -18.239 -22.878 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.029 -16.714 -22.267 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.551 -17.340 -21.590 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.641 -20.280 -21.509 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.477 -19.469 -20.163 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.097 -20.253 -19.890 1.00 0.00 H new ATOM 1717 N ALA A 105 -2.155 -16.204 -17.372 1.00 0.00 N ATOM 1718 CA ALA A 105 -2.211 -15.295 -16.232 1.00 0.00 C ATOM 1719 C ALA A 105 -2.934 -15.926 -15.048 1.00 0.00 C ATOM 1720 O ALA A 105 -2.577 -15.689 -13.900 1.00 0.00 O ATOM 1721 CB ALA A 105 -2.892 -13.997 -16.632 1.00 0.00 C ATOM 0 H ALA A 105 -2.776 -15.953 -18.142 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.188 -15.084 -15.922 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.929 -13.326 -15.774 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.331 -13.525 -17.438 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.906 -14.208 -16.971 1.00 0.00 H new ATOM 1727 N GLU A 106 -3.946 -16.727 -15.333 1.00 0.00 N ATOM 1728 CA GLU A 106 -4.714 -17.391 -14.293 1.00 0.00 C ATOM 1729 C GLU A 106 -4.039 -18.708 -13.915 1.00 0.00 C ATOM 1730 O GLU A 106 -4.424 -19.370 -12.943 1.00 0.00 O ATOM 1731 CB GLU A 106 -6.135 -17.660 -14.797 1.00 0.00 C ATOM 1732 CG GLU A 106 -7.111 -18.083 -13.719 1.00 0.00 C ATOM 1733 CD GLU A 106 -7.437 -16.959 -12.766 1.00 0.00 C ATOM 1734 OE1 GLU A 106 -6.627 -16.683 -11.849 1.00 0.00 O ATOM 1735 OE2 GLU A 106 -8.506 -16.339 -12.920 1.00 0.00 O1- ATOM 0 H GLU A 106 -4.257 -16.934 -16.282 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.761 -16.750 -13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.513 -16.759 -15.279 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.096 -18.437 -15.560 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.030 -18.440 -14.184 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.691 -18.919 -13.160 1.00 0.00 H new ATOM 1742 N LYS A 107 -3.023 -19.074 -14.706 1.00 0.00 N ATOM 1743 CA LYS A 107 -2.279 -20.326 -14.546 1.00 0.00 C ATOM 1744 C LYS A 107 -3.171 -21.530 -14.896 1.00 0.00 C ATOM 1745 O LYS A 107 -2.813 -22.688 -14.643 1.00 0.00 O ATOM 1746 CB LYS A 107 -1.697 -20.447 -13.124 1.00 0.00 C ATOM 1747 CG LYS A 107 -0.672 -21.559 -12.965 1.00 0.00 C ATOM 1748 CD LYS A 107 -0.148 -21.631 -11.547 1.00 0.00 C ATOM 1749 CE LYS A 107 0.810 -22.795 -11.377 1.00 0.00 C ATOM 1750 NZ LYS A 107 1.274 -22.935 -9.976 1.00 0.00 N1+ ATOM 0 H LYS A 107 -2.692 -18.502 -15.483 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.438 -20.318 -15.240 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.234 -19.499 -12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.513 -20.617 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.124 -22.513 -13.236 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.157 -21.392 -13.653 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.359 -20.699 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.982 -21.738 -10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.319 -23.717 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.670 -22.654 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.926 -23.742 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.765 -22.066 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.456 -23.095 -9.354 1.00 0.00 H new ATOM 1764 N LYS A 108 -4.325 -21.231 -15.516 1.00 0.00 N ATOM 1765 CA LYS A 108 -5.327 -22.221 -15.943 1.00 0.00 C ATOM 1766 C LYS A 108 -6.009 -22.938 -14.761 1.00 0.00 C ATOM 1767 O LYS A 108 -7.226 -23.125 -14.772 1.00 0.00 O ATOM 1768 CB LYS A 108 -4.724 -23.219 -16.942 1.00 0.00 C ATOM 1769 CG LYS A 108 -5.760 -24.016 -17.718 1.00 0.00 C ATOM 1770 CD LYS A 108 -5.129 -24.752 -18.889 1.00 0.00 C ATOM 1771 CE LYS A 108 -6.167 -25.520 -19.694 1.00 0.00 C ATOM 1772 NZ LYS A 108 -7.233 -24.631 -20.229 1.00 0.00 N1+ ATOM 0 H LYS A 108 -4.593 -20.272 -15.739 1.00 0.00 H new ATOM 0 HA LYS A 108 -6.117 -21.667 -16.451 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.094 -22.677 -17.647 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.076 -23.911 -16.403 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.243 -24.732 -17.053 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.538 -23.346 -18.084 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.621 -24.038 -19.537 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.371 -25.442 -18.519 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.676 -26.034 -20.520 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.618 -26.287 -19.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.830 -25.165 -20.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.817 -24.279 -19.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.798 -23.827 -20.725 1.00 0.00 H new ATOM 1786 N ASN A 109 -5.221 -23.319 -13.757 1.00 0.00 N ATOM 1787 CA ASN A 109 -5.714 -24.004 -12.558 1.00 0.00 C ATOM 1788 C ASN A 109 -6.376 -25.335 -12.913 1.00 0.00 C ATOM 1789 O ASN A 109 -7.612 -25.381 -13.068 1.00 0.00 O ATOM 1790 CB ASN A 109 -6.669 -23.100 -11.751 1.00 0.00 C ATOM 1791 CG ASN A 109 -7.098 -23.720 -10.426 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -6.402 -23.604 -9.416 1.00 0.00 O ATOM 1793 ND2 ASN A 109 -8.247 -24.359 -10.417 1.00 0.00 N ATOM 1794 OXT ASN A 109 -5.645 -26.335 -13.058 1.00 0.00 O ATOM 0 H ASN A 109 -4.213 -23.161 -13.751 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.854 -24.223 -11.925 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.180 -22.145 -11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.554 -22.889 -12.351 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.590 -24.780 -9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.795 -24.434 -11.274 1.00 0.00 H new TER 1801 ASN A 109 HETATM 1802 NA1 7BU A 201 -0.182 -8.711 -19.369 1.00 0.00 N HETATM 1803 NB2 7BU A 201 -2.415 -8.280 -21.127 1.00 0.00 N HETATM 1804 ND4 7BU A 201 -1.908 -9.898 -17.388 1.00 0.00 N HETATM 1805 CHA 7BU A 201 0.550 -10.129 -17.452 1.00 0.00 C HETATM 1806 CHB 7BU A 201 -0.194 -7.222 -21.354 1.00 0.00 C HETATM 1807 CHC 7BU A 201 -4.680 -9.151 -21.571 1.00 0.00 C HETATM 1808 CHD 7BU A 201 -4.298 -10.130 -16.774 1.00 0.00 C HETATM 1809 C1A 7BU A 201 0.793 -9.293 -18.588 1.00 0.00 C HETATM 1810 C1B 7BU A 201 -1.512 -7.500 -21.811 1.00 0.00 C HETATM 1811 C1C 7BU A 201 -4.994 -9.566 -20.245 1.00 0.00 C HETATM 1812 C1D 7BU A 201 -2.904 -10.244 -16.502 1.00 0.00 C HETATM 1813 C1FA 7BU A 201 1.811 -10.756 -16.813 1.00 0.00 C HETATM 1814 C1FB 7BU A 201 0.677 -6.232 -22.148 1.00 0.00 C HETATM 1815 C1FC 7BU A 201 -5.802 -9.380 -22.596 1.00 0.00 C HETATM 1816 C1FD 7BU A 201 -5.289 -10.481 -15.651 1.00 0.00 C HETATM 1817 C2A 7BU A 201 2.102 -8.837 -19.045 1.00 0.00 C HETATM 1818 C2B 7BU A 201 -2.059 -7.169 -23.119 1.00 0.00 C HETATM 1819 C2C 7BU A 201 -6.310 -9.994 -19.783 1.00 0.00 C HETATM 1820 C2D 7BU A 201 -2.306 -10.920 -15.358 1.00 0.00 C HETATM 1821 C3A 7BU A 201 1.894 -7.988 -20.079 1.00 0.00 C HETATM 1822 C3B 7BU A 201 -3.275 -7.756 -23.202 1.00 0.00 C HETATM 1823 C3C 7BU A 201 -6.221 -10.202 -18.452 1.00 0.00 C HETATM 1824 C3D 7BU A 201 -0.977 -10.979 -15.574 1.00 0.00 C HETATM 1825 C4A 7BU A 201 0.455 -7.913 -20.288 1.00 0.00 C HETATM 1826 C4B 7BU A 201 -3.507 -8.456 -21.950 1.00 0.00 C HETATM 1827 C4C 7BU A 201 -4.852 -9.905 -18.062 1.00 0.00 C HETATM 1828 C4D 7BU A 201 -0.713 -10.339 -16.853 1.00 0.00 C HETATM 1829 NC3 7BU A 201 -4.134 -9.524 -19.174 1.00 0.00 N HETATM 1830 F21A 7BU A 201 2.399 -9.911 -15.941 1.00 0.00 F HETATM 1831 F21B 7BU A 201 -0.065 -5.276 -22.764 1.00 0.00 F HETATM 1832 F21C 7BU A 201 -5.418 -9.349 -23.884 1.00 0.00 F HETATM 1833 F21D 7BU A 201 -6.376 -9.675 -15.626 1.00 0.00 F HETATM 1834 F22A 7BU A 201 2.766 -11.043 -17.730 1.00 0.00 F HETATM 1835 F22B 7BU A 201 1.402 -6.815 -23.133 1.00 0.00 F HETATM 1836 F22C 7BU A 201 -6.392 -10.591 -22.437 1.00 0.00 F HETATM 1837 F22D 7BU A 201 -4.727 -10.363 -14.431 1.00 0.00 F HETATM 1838 F23A 7BU A 201 1.591 -11.904 -16.136 1.00 0.00 F HETATM 1839 F23B 7BU A 201 1.554 -5.583 -21.353 1.00 0.00 F HETATM 1840 F23C 7BU A 201 -6.775 -8.450 -22.470 1.00 0.00 F HETATM 1841 F23D 7BU A 201 -5.745 -11.753 -15.756 1.00 0.00 F HETATM 1842 ZN 7BU A 201 -2.234 -8.708 -19.090 1.00 0.00 ZN