USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 951 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 GLN : amide:sc= 0.261 X(o=0.65,f=0.46) USER MOD Set 1.2: A 106 THR OG1 : rot 170:sc= 0.391 USER MOD Set 2.1: A 17 SER OG : rot -127:sc= 0.0192 USER MOD Set 2.2: A 66 TYR OH : rot 2:sc= 0.116 USER MOD Single : A 1 MET CE :methyl -150:sc= -2.06 (180deg=-4.36!) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.034 (180deg=-0.0369) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 12 ASN : amide:sc= 0.426 K(o=0.43,f=-3.1!) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= -0.379 (180deg=-0.397) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -156:sc= -0.194 (180deg=-1.66) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0205) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -140:sc= -0.429 (180deg=-1.81!) USER MOD Single : A 35 THR OG1 : rot 76:sc= 0.914 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.0518 USER MOD Single : A 59 ASN : amide:sc= -0.649 K(o=-0.65,f=-8!) USER MOD Single : A 61 LYS NZ :NH3+ -134:sc= 1.05 (180deg=-0.00655) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= -1.89! (180deg=-4.75!) USER MOD Single : A 78 GLN : amide:sc= -0.0921 K(o=-0.092,f=-1.3) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.189 K(o=0.19,f=-1.8) USER MOD Single : A 85 CYS SG : rot 140:sc= -4.54! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -170:sc= 0 (180deg=-0.0501) USER MOD Single : A 90 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 97 MET CE :methyl -134:sc= 0 (180deg=-0.507) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 105 LYS NZ :NH3+ -147:sc= 1.01 (180deg=0.384) USER MOD Single : A 111 TYR OH : rot 180:sc=-0.00789 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-4.6!) USER MOD Single : A 120 LYS NZ :NH3+ -114:sc= 1.25 (180deg=-0.849) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.774 -1.034 -0.544 1.00 0.00 N ATOM 2 CA MET A 1 -12.504 -0.443 -1.038 1.00 52.33 C ATOM 3 C MET A 1 -12.072 -1.116 -2.362 1.00 52.10 C ATOM 4 O MET A 1 -12.287 -2.326 -2.533 1.00 1.52 O ATOM 5 CB MET A 1 -11.398 -0.574 0.051 1.00 15.51 C ATOM 6 CG MET A 1 -10.936 -2.013 0.347 1.00 42.14 C ATOM 7 SD MET A 1 -9.917 -2.153 1.833 1.00 31.32 S ATOM 8 CE MET A 1 -8.606 -0.976 1.510 1.00 55.31 C ATOM 0 H1 MET A 1 -13.715 -1.173 0.485 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.563 -0.393 -0.762 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.934 -1.951 -1.008 1.00 0.00 H new ATOM 0 HA MET A 1 -12.659 0.617 -1.241 1.00 52.33 H new ATOM 0 HB2 MET A 1 -10.533 0.011 -0.260 1.00 15.51 H new ATOM 0 HB3 MET A 1 -11.767 -0.130 0.976 1.00 15.51 H new ATOM 0 HG2 MET A 1 -11.812 -2.652 0.456 1.00 42.14 H new ATOM 0 HG3 MET A 1 -10.372 -2.388 -0.507 1.00 42.14 H new ATOM 0 HE1 MET A 1 -7.692 -1.305 2.004 1.00 55.31 H new ATOM 0 HE2 MET A 1 -8.434 -0.908 0.436 1.00 55.31 H new ATOM 0 HE3 MET A 1 -8.893 0.003 1.894 1.00 55.31 H new ATOM 20 N ARG A 2 -11.567 -0.306 -3.321 1.00 12.13 N ATOM 21 CA ARG A 2 -10.910 -0.798 -4.571 1.00 61.52 C ATOM 22 C ARG A 2 -9.992 -2.031 -4.321 1.00 42.40 C ATOM 23 O ARG A 2 -9.024 -1.940 -3.574 1.00 44.20 O ATOM 24 CB ARG A 2 -10.080 0.346 -5.213 1.00 71.52 C ATOM 25 CG ARG A 2 -10.880 1.623 -5.554 1.00 51.34 C ATOM 26 CD ARG A 2 -11.940 1.409 -6.651 1.00 45.22 C ATOM 27 NE ARG A 2 -11.338 0.981 -7.929 1.00 1.45 N ATOM 28 CZ ARG A 2 -11.729 1.345 -9.130 1.00 71.35 C ATOM 29 NH1 ARG A 2 -12.703 2.178 -9.307 1.00 30.41 N ATOM 30 NH2 ARG A 2 -11.119 0.868 -10.158 1.00 20.13 N ATOM 0 H ARG A 2 -11.600 0.711 -3.257 1.00 12.13 H new ATOM 0 HA ARG A 2 -11.704 -1.116 -5.247 1.00 61.52 H new ATOM 0 HB2 ARG A 2 -9.271 0.613 -4.533 1.00 71.52 H new ATOM 0 HB3 ARG A 2 -9.618 -0.029 -6.126 1.00 71.52 H new ATOM 0 HG2 ARG A 2 -11.371 1.987 -4.651 1.00 51.34 H new ATOM 0 HG3 ARG A 2 -10.188 2.401 -5.876 1.00 51.34 H new ATOM 0 HD2 ARG A 2 -12.658 0.659 -6.320 1.00 45.22 H new ATOM 0 HD3 ARG A 2 -12.495 2.335 -6.804 1.00 45.22 H new ATOM 0 HE ARG A 2 -10.544 0.343 -7.875 1.00 1.45 H new ATOM 0 HH11 ARG A 2 -13.190 2.571 -8.502 1.00 30.41 H new ATOM 0 HH12 ARG A 2 -12.984 2.441 -10.252 1.00 30.41 H new ATOM 0 HH21 ARG A 2 -10.344 0.217 -10.034 1.00 20.13 H new ATOM 0 HH22 ARG A 2 -11.411 1.141 -11.096 1.00 20.13 H new ATOM 44 N SER A 3 -10.335 -3.156 -4.973 1.00 71.33 N ATOM 45 CA SER A 3 -9.712 -4.497 -4.759 1.00 44.02 C ATOM 46 C SER A 3 -8.172 -4.541 -4.997 1.00 75.12 C ATOM 47 O SER A 3 -7.640 -3.715 -5.718 1.00 24.14 O ATOM 48 CB SER A 3 -10.402 -5.501 -5.706 1.00 41.54 C ATOM 49 OG SER A 3 -11.789 -5.615 -5.425 1.00 73.15 O ATOM 0 H SER A 3 -11.068 -3.170 -5.682 1.00 71.33 H new ATOM 0 HA SER A 3 -9.855 -4.750 -3.708 1.00 44.02 H new ATOM 0 HB2 SER A 3 -10.264 -5.181 -6.739 1.00 41.54 H new ATOM 0 HB3 SER A 3 -9.929 -6.478 -5.609 1.00 41.54 H new ATOM 0 HG SER A 3 -12.196 -6.257 -6.043 1.00 73.15 H new ATOM 55 N ALA A 4 -7.481 -5.542 -4.396 1.00 41.22 N ATOM 56 CA ALA A 4 -6.015 -5.766 -4.589 1.00 2.03 C ATOM 57 C ALA A 4 -5.670 -6.057 -6.059 1.00 51.22 C ATOM 58 O ALA A 4 -4.703 -5.521 -6.614 1.00 33.01 O ATOM 59 CB ALA A 4 -5.524 -6.935 -3.711 1.00 24.25 C ATOM 0 H ALA A 4 -7.916 -6.216 -3.766 1.00 41.22 H new ATOM 0 HA ALA A 4 -5.511 -4.847 -4.292 1.00 2.03 H new ATOM 0 HB1 ALA A 4 -4.455 -7.082 -3.866 1.00 24.25 H new ATOM 0 HB2 ALA A 4 -5.711 -6.705 -2.662 1.00 24.25 H new ATOM 0 HB3 ALA A 4 -6.059 -7.845 -3.984 1.00 24.25 H new ATOM 65 N THR A 5 -6.487 -6.931 -6.664 1.00 51.04 N ATOM 66 CA THR A 5 -6.364 -7.317 -8.082 1.00 53.41 C ATOM 67 C THR A 5 -6.587 -6.088 -9.004 1.00 74.14 C ATOM 68 O THR A 5 -5.935 -5.941 -10.046 1.00 43.12 O ATOM 69 CB THR A 5 -7.397 -8.449 -8.439 1.00 75.21 C ATOM 70 OG1 THR A 5 -7.501 -9.390 -7.351 1.00 14.42 O ATOM 71 CG2 THR A 5 -6.988 -9.215 -9.711 1.00 24.32 C ATOM 0 H THR A 5 -7.258 -7.394 -6.182 1.00 51.04 H new ATOM 0 HA THR A 5 -5.356 -7.698 -8.243 1.00 53.41 H new ATOM 0 HB THR A 5 -8.357 -7.963 -8.614 1.00 75.21 H new ATOM 0 HG1 THR A 5 -8.148 -10.089 -7.584 1.00 14.42 H new ATOM 0 HG21 THR A 5 -7.727 -9.988 -9.924 1.00 24.32 H new ATOM 0 HG22 THR A 5 -6.935 -8.523 -10.551 1.00 24.32 H new ATOM 0 HG23 THR A 5 -6.013 -9.677 -9.560 1.00 24.32 H new ATOM 79 N ASP A 6 -7.509 -5.200 -8.567 1.00 74.53 N ATOM 80 CA ASP A 6 -7.812 -3.922 -9.244 1.00 21.44 C ATOM 81 C ASP A 6 -6.610 -2.944 -9.190 1.00 42.35 C ATOM 82 O ASP A 6 -6.232 -2.366 -10.213 1.00 35.23 O ATOM 83 CB ASP A 6 -9.066 -3.266 -8.606 1.00 12.21 C ATOM 84 CG ASP A 6 -9.402 -1.890 -9.210 1.00 22.34 C ATOM 85 OD1 ASP A 6 -9.985 -1.844 -10.314 1.00 23.13 O ATOM 86 OD2 ASP A 6 -9.071 -0.851 -8.596 1.00 54.21 O ATOM 0 H ASP A 6 -8.067 -5.353 -7.727 1.00 74.53 H new ATOM 0 HA ASP A 6 -8.012 -4.141 -10.293 1.00 21.44 H new ATOM 0 HB2 ASP A 6 -9.921 -3.930 -8.733 1.00 12.21 H new ATOM 0 HB3 ASP A 6 -8.905 -3.156 -7.534 1.00 12.21 H new ATOM 91 N LEU A 7 -6.019 -2.767 -7.987 1.00 2.41 N ATOM 92 CA LEU A 7 -4.881 -1.841 -7.785 1.00 74.40 C ATOM 93 C LEU A 7 -3.640 -2.312 -8.565 1.00 12.02 C ATOM 94 O LEU A 7 -2.894 -1.497 -9.087 1.00 0.34 O ATOM 95 CB LEU A 7 -4.515 -1.681 -6.286 1.00 44.04 C ATOM 96 CG LEU A 7 -5.653 -1.245 -5.315 1.00 34.13 C ATOM 97 CD1 LEU A 7 -5.079 -0.948 -3.915 1.00 1.41 C ATOM 98 CD2 LEU A 7 -6.465 -0.049 -5.862 1.00 40.44 C ATOM 0 H LEU A 7 -6.312 -3.254 -7.140 1.00 2.41 H new ATOM 0 HA LEU A 7 -5.202 -0.871 -8.164 1.00 74.40 H new ATOM 0 HB2 LEU A 7 -4.116 -2.632 -5.933 1.00 44.04 H new ATOM 0 HB3 LEU A 7 -3.710 -0.950 -6.212 1.00 44.04 H new ATOM 0 HG LEU A 7 -6.352 -2.077 -5.231 1.00 34.13 H new ATOM 0 HD11 LEU A 7 -5.886 -0.645 -3.248 1.00 1.41 H new ATOM 0 HD12 LEU A 7 -4.600 -1.844 -3.521 1.00 1.41 H new ATOM 0 HD13 LEU A 7 -4.345 -0.145 -3.985 1.00 1.41 H new ATOM 0 HD21 LEU A 7 -7.246 0.217 -5.149 1.00 40.44 H new ATOM 0 HD22 LEU A 7 -5.802 0.804 -6.009 1.00 40.44 H new ATOM 0 HD23 LEU A 7 -6.920 -0.323 -6.814 1.00 40.44 H new ATOM 110 N LEU A 8 -3.446 -3.641 -8.629 1.00 34.13 N ATOM 111 CA LEU A 8 -2.347 -4.265 -9.400 1.00 13.21 C ATOM 112 C LEU A 8 -2.507 -3.981 -10.913 1.00 65.23 C ATOM 113 O LEU A 8 -1.530 -3.697 -11.613 1.00 1.10 O ATOM 114 CB LEU A 8 -2.306 -5.795 -9.140 1.00 20.40 C ATOM 115 CG LEU A 8 -1.090 -6.559 -9.758 1.00 42.22 C ATOM 116 CD1 LEU A 8 0.249 -6.103 -9.127 1.00 4.54 C ATOM 117 CD2 LEU A 8 -1.276 -8.085 -9.629 1.00 60.22 C ATOM 0 H LEU A 8 -4.043 -4.315 -8.150 1.00 34.13 H new ATOM 0 HA LEU A 8 -1.406 -3.828 -9.068 1.00 13.21 H new ATOM 0 HB2 LEU A 8 -2.306 -5.961 -8.063 1.00 20.40 H new ATOM 0 HB3 LEU A 8 -3.224 -6.235 -9.530 1.00 20.40 H new ATOM 0 HG LEU A 8 -1.049 -6.312 -10.819 1.00 42.22 H new ATOM 0 HD11 LEU A 8 1.072 -6.655 -9.581 1.00 4.54 H new ATOM 0 HD12 LEU A 8 0.388 -5.036 -9.301 1.00 4.54 H new ATOM 0 HD13 LEU A 8 0.230 -6.296 -8.054 1.00 4.54 H new ATOM 0 HD21 LEU A 8 -0.417 -8.594 -10.066 1.00 60.22 H new ATOM 0 HD22 LEU A 8 -1.360 -8.354 -8.576 1.00 60.22 H new ATOM 0 HD23 LEU A 8 -2.183 -8.387 -10.154 1.00 60.22 H new ATOM 129 N ASP A 9 -3.763 -4.052 -11.392 1.00 42.43 N ATOM 130 CA ASP A 9 -4.127 -3.705 -12.782 1.00 64.30 C ATOM 131 C ASP A 9 -3.912 -2.192 -13.060 1.00 41.42 C ATOM 132 O ASP A 9 -3.548 -1.807 -14.173 1.00 1.52 O ATOM 133 CB ASP A 9 -5.595 -4.112 -13.054 1.00 33.31 C ATOM 134 CG ASP A 9 -6.021 -3.899 -14.516 1.00 22.24 C ATOM 135 OD1 ASP A 9 -5.573 -4.671 -15.394 1.00 71.13 O ATOM 136 OD2 ASP A 9 -6.782 -2.946 -14.800 1.00 0.01 O ATOM 0 H ASP A 9 -4.557 -4.352 -10.826 1.00 42.43 H new ATOM 0 HA ASP A 9 -3.475 -4.256 -13.459 1.00 64.30 H new ATOM 0 HB2 ASP A 9 -5.729 -5.162 -12.792 1.00 33.31 H new ATOM 0 HB3 ASP A 9 -6.252 -3.535 -12.403 1.00 33.31 H new ATOM 141 N GLU A 10 -4.142 -1.351 -12.029 1.00 2.11 N ATOM 142 CA GLU A 10 -3.891 0.111 -12.094 1.00 71.13 C ATOM 143 C GLU A 10 -2.374 0.396 -12.213 1.00 13.21 C ATOM 144 O GLU A 10 -1.948 1.243 -13.003 1.00 0.13 O ATOM 145 CB GLU A 10 -4.481 0.824 -10.838 1.00 44.43 C ATOM 146 CG GLU A 10 -4.251 2.356 -10.776 1.00 55.13 C ATOM 147 CD GLU A 10 -5.032 3.156 -11.840 1.00 52.43 C ATOM 148 OE1 GLU A 10 -4.527 3.326 -12.974 1.00 31.01 O ATOM 149 OE2 GLU A 10 -6.158 3.619 -11.542 1.00 1.43 O ATOM 0 H GLU A 10 -4.506 -1.662 -11.129 1.00 2.11 H new ATOM 0 HA GLU A 10 -4.388 0.505 -12.980 1.00 71.13 H new ATOM 0 HB2 GLU A 10 -5.553 0.633 -10.802 1.00 44.43 H new ATOM 0 HB3 GLU A 10 -4.047 0.372 -9.946 1.00 44.43 H new ATOM 0 HG2 GLU A 10 -4.535 2.715 -9.787 1.00 55.13 H new ATOM 0 HG3 GLU A 10 -3.186 2.557 -10.895 1.00 55.13 H new ATOM 156 N LEU A 11 -1.571 -0.355 -11.435 1.00 35.01 N ATOM 157 CA LEU A 11 -0.093 -0.295 -11.474 1.00 12.20 C ATOM 158 C LEU A 11 0.455 -0.767 -12.844 1.00 75.43 C ATOM 159 O LEU A 11 1.477 -0.284 -13.305 1.00 21.03 O ATOM 160 CB LEU A 11 0.491 -1.189 -10.349 1.00 2.55 C ATOM 161 CG LEU A 11 0.128 -0.783 -8.888 1.00 61.02 C ATOM 162 CD1 LEU A 11 0.520 -1.892 -7.888 1.00 72.34 C ATOM 163 CD2 LEU A 11 0.760 0.575 -8.503 1.00 14.23 C ATOM 0 H LEU A 11 -1.930 -1.026 -10.756 1.00 35.01 H new ATOM 0 HA LEU A 11 0.209 0.742 -11.325 1.00 12.20 H new ATOM 0 HB2 LEU A 11 0.153 -2.212 -10.514 1.00 2.55 H new ATOM 0 HB3 LEU A 11 1.577 -1.193 -10.444 1.00 2.55 H new ATOM 0 HG LEU A 11 -0.954 -0.661 -8.839 1.00 61.02 H new ATOM 0 HD11 LEU A 11 0.255 -1.581 -6.877 1.00 72.34 H new ATOM 0 HD12 LEU A 11 -0.012 -2.810 -8.136 1.00 72.34 H new ATOM 0 HD13 LEU A 11 1.594 -2.069 -7.943 1.00 72.34 H new ATOM 0 HD21 LEU A 11 0.486 0.826 -7.478 1.00 14.23 H new ATOM 0 HD22 LEU A 11 1.845 0.507 -8.582 1.00 14.23 H new ATOM 0 HD23 LEU A 11 0.395 1.350 -9.177 1.00 14.23 H new ATOM 175 N ASN A 12 -0.229 -1.754 -13.450 1.00 74.23 N ATOM 176 CA ASN A 12 0.101 -2.271 -14.801 1.00 64.20 C ATOM 177 C ASN A 12 -0.454 -1.363 -15.929 1.00 53.44 C ATOM 178 O ASN A 12 0.023 -1.424 -17.064 1.00 43.24 O ATOM 179 CB ASN A 12 -0.424 -3.727 -14.953 1.00 2.45 C ATOM 180 CG ASN A 12 0.366 -4.729 -14.103 1.00 41.33 C ATOM 181 OD1 ASN A 12 1.570 -4.597 -13.941 1.00 41.32 O ATOM 182 ND2 ASN A 12 -0.295 -5.730 -13.550 1.00 35.15 N ATOM 0 H ASN A 12 -1.028 -2.220 -13.020 1.00 74.23 H new ATOM 0 HA ASN A 12 1.186 -2.268 -14.902 1.00 64.20 H new ATOM 0 HB2 ASN A 12 -1.475 -3.762 -14.667 1.00 2.45 H new ATOM 0 HB3 ASN A 12 -0.369 -4.022 -16.001 1.00 2.45 H new ATOM 0 HD21 ASN A 12 0.200 -6.412 -12.975 1.00 35.15 H new ATOM 0 HD22 ASN A 12 -1.300 -5.821 -13.698 1.00 35.15 H new ATOM 189 N ALA A 13 -1.471 -0.537 -15.610 1.00 30.44 N ATOM 190 CA ALA A 13 -2.048 0.445 -16.558 1.00 30.12 C ATOM 191 C ALA A 13 -1.076 1.623 -16.772 1.00 63.21 C ATOM 192 O ALA A 13 -0.697 1.937 -17.906 1.00 34.11 O ATOM 193 CB ALA A 13 -3.408 0.948 -16.041 1.00 13.15 C ATOM 0 H ALA A 13 -1.916 -0.530 -14.692 1.00 30.44 H new ATOM 0 HA ALA A 13 -2.204 -0.046 -17.518 1.00 30.12 H new ATOM 0 HB1 ALA A 13 -3.821 1.669 -16.746 1.00 13.15 H new ATOM 0 HB2 ALA A 13 -4.093 0.106 -15.939 1.00 13.15 H new ATOM 0 HB3 ALA A 13 -3.274 1.426 -15.071 1.00 13.15 H new ATOM 199 N VAL A 14 -0.681 2.262 -15.660 1.00 24.22 N ATOM 200 CA VAL A 14 0.325 3.342 -15.661 1.00 35.13 C ATOM 201 C VAL A 14 1.755 2.739 -15.562 1.00 62.42 C ATOM 202 O VAL A 14 1.961 1.750 -14.872 1.00 32.41 O ATOM 203 CB VAL A 14 0.061 4.363 -14.482 1.00 12.50 C ATOM 204 CG1 VAL A 14 -1.355 4.986 -14.602 1.00 62.23 C ATOM 205 CG2 VAL A 14 0.248 3.718 -13.079 1.00 24.11 C ATOM 0 H VAL A 14 -1.049 2.046 -14.733 1.00 24.22 H new ATOM 0 HA VAL A 14 0.243 3.891 -16.599 1.00 35.13 H new ATOM 0 HB VAL A 14 0.809 5.150 -14.577 1.00 12.50 H new ATOM 0 HG11 VAL A 14 -1.516 5.685 -13.781 1.00 62.23 H new ATOM 0 HG12 VAL A 14 -1.441 5.515 -15.551 1.00 62.23 H new ATOM 0 HG13 VAL A 14 -2.105 4.196 -14.558 1.00 62.23 H new ATOM 0 HG21 VAL A 14 0.055 4.463 -12.307 1.00 24.11 H new ATOM 0 HG22 VAL A 14 -0.449 2.888 -12.965 1.00 24.11 H new ATOM 0 HG23 VAL A 14 1.270 3.351 -12.981 1.00 24.11 H new ATOM 215 N ASP A 15 2.732 3.319 -16.278 1.00 42.24 N ATOM 216 CA ASP A 15 4.142 2.828 -16.242 1.00 44.43 C ATOM 217 C ASP A 15 4.812 3.139 -14.869 1.00 43.45 C ATOM 218 O ASP A 15 5.477 2.281 -14.270 1.00 54.10 O ATOM 219 CB ASP A 15 4.958 3.425 -17.427 1.00 74.21 C ATOM 220 CG ASP A 15 4.984 4.963 -17.436 1.00 60.10 C ATOM 221 OD1 ASP A 15 3.949 5.576 -17.778 1.00 42.14 O ATOM 222 OD2 ASP A 15 6.019 5.565 -17.071 1.00 73.52 O ATOM 0 H ASP A 15 2.585 4.123 -16.888 1.00 42.24 H new ATOM 0 HA ASP A 15 4.131 1.744 -16.356 1.00 44.43 H new ATOM 0 HB2 ASP A 15 5.981 3.052 -17.379 1.00 74.21 H new ATOM 0 HB3 ASP A 15 4.533 3.070 -18.366 1.00 74.21 H new ATOM 227 N GLU A 16 4.632 4.381 -14.389 1.00 13.35 N ATOM 228 CA GLU A 16 4.987 4.797 -13.014 1.00 11.30 C ATOM 229 C GLU A 16 3.703 5.147 -12.221 1.00 73.41 C ATOM 230 O GLU A 16 2.856 5.902 -12.722 1.00 42.51 O ATOM 231 CB GLU A 16 5.947 6.021 -13.066 1.00 55.10 C ATOM 232 CG GLU A 16 6.395 6.548 -11.685 1.00 50.10 C ATOM 233 CD GLU A 16 7.349 7.751 -11.780 1.00 24.21 C ATOM 234 OE1 GLU A 16 6.869 8.900 -11.890 1.00 53.12 O ATOM 235 OE2 GLU A 16 8.587 7.551 -11.774 1.00 53.31 O ATOM 0 H GLU A 16 4.232 5.135 -14.947 1.00 13.35 H new ATOM 0 HA GLU A 16 5.495 3.976 -12.508 1.00 11.30 H new ATOM 0 HB2 GLU A 16 6.832 5.747 -13.640 1.00 55.10 H new ATOM 0 HB3 GLU A 16 5.454 6.829 -13.606 1.00 55.10 H new ATOM 0 HG2 GLU A 16 5.515 6.834 -11.109 1.00 50.10 H new ATOM 0 HG3 GLU A 16 6.887 5.744 -11.138 1.00 50.10 H new ATOM 242 N SER A 17 3.559 4.532 -11.020 1.00 4.11 N ATOM 243 CA SER A 17 2.463 4.796 -10.037 1.00 74.02 C ATOM 244 C SER A 17 2.016 6.285 -9.969 1.00 21.32 C ATOM 245 O SER A 17 2.743 7.141 -9.461 1.00 51.22 O ATOM 246 CB SER A 17 2.909 4.325 -8.630 1.00 2.31 C ATOM 247 OG SER A 17 3.204 2.936 -8.617 1.00 41.10 O ATOM 0 H SER A 17 4.214 3.821 -10.695 1.00 4.11 H new ATOM 0 HA SER A 17 1.597 4.233 -10.385 1.00 74.02 H new ATOM 0 HB2 SER A 17 3.789 4.888 -8.318 1.00 2.31 H new ATOM 0 HB3 SER A 17 2.122 4.538 -7.907 1.00 2.31 H new ATOM 0 HG SER A 17 2.700 2.501 -7.898 1.00 41.10 H new ATOM 253 N ALA A 18 0.802 6.567 -10.490 1.00 34.33 N ATOM 254 CA ALA A 18 0.240 7.944 -10.558 1.00 33.42 C ATOM 255 C ALA A 18 -0.446 8.390 -9.237 1.00 63.54 C ATOM 256 O ALA A 18 -0.834 9.558 -9.101 1.00 11.23 O ATOM 257 CB ALA A 18 -0.741 8.043 -11.736 1.00 13.11 C ATOM 0 H ALA A 18 0.183 5.854 -10.875 1.00 34.33 H new ATOM 0 HA ALA A 18 1.076 8.626 -10.711 1.00 33.42 H new ATOM 0 HB1 ALA A 18 -1.151 9.052 -11.784 1.00 13.11 H new ATOM 0 HB2 ALA A 18 -0.217 7.820 -12.665 1.00 13.11 H new ATOM 0 HB3 ALA A 18 -1.552 7.328 -11.596 1.00 13.11 H new ATOM 263 N ARG A 19 -0.598 7.457 -8.278 1.00 33.45 N ATOM 264 CA ARG A 19 -1.199 7.751 -6.949 1.00 63.11 C ATOM 265 C ARG A 19 -0.930 6.607 -5.944 1.00 45.43 C ATOM 266 O ARG A 19 -0.717 6.851 -4.755 1.00 71.45 O ATOM 267 CB ARG A 19 -2.737 7.967 -7.045 1.00 51.01 C ATOM 268 CG ARG A 19 -3.380 8.531 -5.746 1.00 11.15 C ATOM 269 CD ARG A 19 -4.904 8.354 -5.701 1.00 63.32 C ATOM 270 NE ARG A 19 -5.576 8.871 -6.905 1.00 11.54 N ATOM 271 CZ ARG A 19 -6.725 8.432 -7.375 1.00 31.03 C ATOM 272 NH1 ARG A 19 -7.359 7.446 -6.808 1.00 2.41 N ATOM 273 NH2 ARG A 19 -7.229 8.974 -8.434 1.00 62.45 N ATOM 0 H ARG A 19 -0.313 6.485 -8.394 1.00 33.45 H new ATOM 0 HA ARG A 19 -0.727 8.669 -6.598 1.00 63.11 H new ATOM 0 HB2 ARG A 19 -2.947 8.650 -7.868 1.00 51.01 H new ATOM 0 HB3 ARG A 19 -3.212 7.017 -7.290 1.00 51.01 H new ATOM 0 HG2 ARG A 19 -2.937 8.034 -4.883 1.00 11.15 H new ATOM 0 HG3 ARG A 19 -3.141 9.591 -5.660 1.00 11.15 H new ATOM 0 HD2 ARG A 19 -5.139 7.296 -5.586 1.00 63.32 H new ATOM 0 HD3 ARG A 19 -5.298 8.865 -4.823 1.00 63.32 H new ATOM 0 HE ARG A 19 -5.117 9.626 -7.413 1.00 11.54 H new ATOM 0 HH11 ARG A 19 -6.967 6.996 -5.981 1.00 2.41 H new ATOM 0 HH12 ARG A 19 -8.248 7.124 -7.191 1.00 2.41 H new ATOM 0 HH21 ARG A 19 -6.737 9.736 -8.900 1.00 62.45 H new ATOM 0 HH22 ARG A 19 -8.119 8.639 -8.804 1.00 62.45 H new ATOM 287 N ILE A 20 -0.911 5.356 -6.439 1.00 22.31 N ATOM 288 CA ILE A 20 -0.927 4.157 -5.574 1.00 32.45 C ATOM 289 C ILE A 20 0.514 3.654 -5.392 1.00 44.23 C ATOM 290 O ILE A 20 1.101 3.071 -6.309 1.00 33.40 O ATOM 291 CB ILE A 20 -1.831 3.024 -6.206 1.00 43.24 C ATOM 292 CG1 ILE A 20 -3.273 3.577 -6.455 1.00 43.53 C ATOM 293 CG2 ILE A 20 -1.858 1.740 -5.321 1.00 52.34 C ATOM 294 CD1 ILE A 20 -4.255 2.595 -7.070 1.00 21.22 C ATOM 0 H ILE A 20 -0.884 5.146 -7.437 1.00 22.31 H new ATOM 0 HA ILE A 20 -1.349 4.418 -4.603 1.00 32.45 H new ATOM 0 HB ILE A 20 -1.396 2.732 -7.162 1.00 43.24 H new ATOM 0 HG12 ILE A 20 -3.679 3.923 -5.504 1.00 43.53 H new ATOM 0 HG13 ILE A 20 -3.201 4.448 -7.107 1.00 43.53 H new ATOM 0 HG21 ILE A 20 -2.490 0.987 -5.792 1.00 52.34 H new ATOM 0 HG22 ILE A 20 -0.846 1.349 -5.215 1.00 52.34 H new ATOM 0 HG23 ILE A 20 -2.257 1.985 -4.337 1.00 52.34 H new ATOM 0 HD11 ILE A 20 -5.222 3.081 -7.199 1.00 21.22 H new ATOM 0 HD12 ILE A 20 -3.881 2.266 -8.040 1.00 21.22 H new ATOM 0 HD13 ILE A 20 -4.367 1.733 -6.413 1.00 21.22 H new ATOM 306 N GLU A 21 1.075 3.898 -4.201 1.00 41.31 N ATOM 307 CA GLU A 21 2.472 3.543 -3.902 1.00 21.14 C ATOM 308 C GLU A 21 2.490 2.109 -3.328 1.00 33.31 C ATOM 309 O GLU A 21 1.989 1.856 -2.228 1.00 0.53 O ATOM 310 CB GLU A 21 3.075 4.606 -2.922 1.00 30.24 C ATOM 311 CG GLU A 21 4.624 4.750 -2.931 1.00 54.14 C ATOM 312 CD GLU A 21 5.380 3.673 -2.129 1.00 20.31 C ATOM 313 OE1 GLU A 21 5.561 3.860 -0.902 1.00 61.25 O ATOM 314 OE2 GLU A 21 5.792 2.642 -2.706 1.00 61.12 O ATOM 0 H GLU A 21 0.583 4.341 -3.425 1.00 41.31 H new ATOM 0 HA GLU A 21 3.094 3.553 -4.797 1.00 21.14 H new ATOM 0 HB2 GLU A 21 2.640 5.577 -3.160 1.00 30.24 H new ATOM 0 HB3 GLU A 21 2.760 4.355 -1.909 1.00 30.24 H new ATOM 0 HG2 GLU A 21 4.971 4.723 -3.964 1.00 54.14 H new ATOM 0 HG3 GLU A 21 4.886 5.730 -2.532 1.00 54.14 H new ATOM 321 N ALA A 22 3.083 1.184 -4.091 1.00 13.25 N ATOM 322 CA ALA A 22 3.036 -0.266 -3.811 1.00 72.00 C ATOM 323 C ALA A 22 4.431 -0.787 -3.459 1.00 70.52 C ATOM 324 O ALA A 22 5.427 -0.308 -4.013 1.00 3.21 O ATOM 325 CB ALA A 22 2.480 -1.009 -5.030 1.00 54.14 C ATOM 0 H ALA A 22 3.615 1.417 -4.929 1.00 13.25 H new ATOM 0 HA ALA A 22 2.380 -0.442 -2.958 1.00 72.00 H new ATOM 0 HB1 ALA A 22 2.447 -2.078 -4.820 1.00 54.14 H new ATOM 0 HB2 ALA A 22 1.474 -0.650 -5.247 1.00 54.14 H new ATOM 0 HB3 ALA A 22 3.123 -0.828 -5.891 1.00 54.14 H new ATOM 331 N LYS A 23 4.503 -1.779 -2.552 1.00 14.23 N ATOM 332 CA LYS A 23 5.798 -2.298 -2.076 1.00 3.23 C ATOM 333 C LYS A 23 5.755 -3.793 -1.719 1.00 11.02 C ATOM 334 O LYS A 23 4.688 -4.386 -1.526 1.00 63.42 O ATOM 335 CB LYS A 23 6.323 -1.462 -0.871 1.00 5.01 C ATOM 336 CG LYS A 23 5.441 -1.455 0.407 1.00 73.30 C ATOM 337 CD LYS A 23 4.181 -0.550 0.324 1.00 31.42 C ATOM 338 CE LYS A 23 4.513 0.913 -0.003 1.00 52.24 C ATOM 339 NZ LYS A 23 5.587 1.485 0.867 1.00 72.42 N ATOM 0 H LYS A 23 3.689 -2.233 -2.138 1.00 14.23 H new ATOM 0 HA LYS A 23 6.493 -2.196 -2.909 1.00 3.23 H new ATOM 0 HB2 LYS A 23 7.311 -1.836 -0.601 1.00 5.01 H new ATOM 0 HB3 LYS A 23 6.452 -0.431 -1.202 1.00 5.01 H new ATOM 0 HG2 LYS A 23 5.124 -2.476 0.618 1.00 73.30 H new ATOM 0 HG3 LYS A 23 6.050 -1.129 1.250 1.00 73.30 H new ATOM 0 HD2 LYS A 23 3.508 -0.943 -0.438 1.00 31.42 H new ATOM 0 HD3 LYS A 23 3.647 -0.592 1.273 1.00 31.42 H new ATOM 0 HE2 LYS A 23 4.824 0.984 -1.045 1.00 52.24 H new ATOM 0 HE3 LYS A 23 3.611 1.515 0.102 1.00 52.24 H new ATOM 0 HZ1 LYS A 23 5.776 2.468 0.585 1.00 72.42 H new ATOM 0 HZ2 LYS A 23 5.278 1.463 1.860 1.00 72.42 H new ATOM 0 HZ3 LYS A 23 6.455 0.922 0.762 1.00 72.42 H new ATOM 353 N ARG A 24 6.958 -4.382 -1.675 1.00 10.41 N ATOM 354 CA ARG A 24 7.182 -5.788 -1.283 1.00 71.54 C ATOM 355 C ARG A 24 7.065 -5.982 0.255 1.00 43.31 C ATOM 356 O ARG A 24 7.076 -5.012 1.025 1.00 13.11 O ATOM 357 CB ARG A 24 8.589 -6.234 -1.767 1.00 50.42 C ATOM 358 CG ARG A 24 8.833 -6.065 -3.289 1.00 13.52 C ATOM 359 CD ARG A 24 10.306 -6.276 -3.689 1.00 51.23 C ATOM 360 NE ARG A 24 10.793 -7.630 -3.363 1.00 35.55 N ATOM 361 CZ ARG A 24 11.811 -7.922 -2.578 1.00 21.10 C ATOM 362 NH1 ARG A 24 12.454 -6.995 -1.936 1.00 63.44 N ATOM 363 NH2 ARG A 24 12.162 -9.153 -2.423 1.00 14.50 N ATOM 0 H ARG A 24 7.819 -3.890 -1.914 1.00 10.41 H new ATOM 0 HA ARG A 24 6.412 -6.401 -1.751 1.00 71.54 H new ATOM 0 HB2 ARG A 24 9.343 -5.662 -1.226 1.00 50.42 H new ATOM 0 HB3 ARG A 24 8.734 -7.282 -1.503 1.00 50.42 H new ATOM 0 HG2 ARG A 24 8.209 -6.775 -3.832 1.00 13.52 H new ATOM 0 HG3 ARG A 24 8.519 -5.067 -3.593 1.00 13.52 H new ATOM 0 HD2 ARG A 24 10.417 -6.102 -4.759 1.00 51.23 H new ATOM 0 HD3 ARG A 24 10.926 -5.538 -3.180 1.00 51.23 H new ATOM 0 HE ARG A 24 10.295 -8.414 -3.785 1.00 35.55 H new ATOM 0 HH11 ARG A 24 12.174 -6.019 -2.034 1.00 63.44 H new ATOM 0 HH12 ARG A 24 13.239 -7.243 -1.334 1.00 63.44 H new ATOM 0 HH21 ARG A 24 11.653 -9.893 -2.906 1.00 14.50 H new ATOM 0 HH22 ARG A 24 12.949 -9.387 -1.817 1.00 14.50 H new ATOM 377 N ALA A 25 6.966 -7.257 0.676 1.00 11.44 N ATOM 378 CA ALA A 25 6.948 -7.667 2.106 1.00 21.14 C ATOM 379 C ALA A 25 8.140 -7.097 2.934 1.00 31.33 C ATOM 380 O ALA A 25 7.997 -6.799 4.124 1.00 75.41 O ATOM 381 CB ALA A 25 6.932 -9.204 2.178 1.00 34.50 C ATOM 0 H ALA A 25 6.895 -8.045 0.032 1.00 11.44 H new ATOM 0 HA ALA A 25 6.048 -7.247 2.556 1.00 21.14 H new ATOM 0 HB1 ALA A 25 6.919 -9.519 3.221 1.00 34.50 H new ATOM 0 HB2 ALA A 25 6.043 -9.583 1.673 1.00 34.50 H new ATOM 0 HB3 ALA A 25 7.823 -9.600 1.691 1.00 34.50 H new ATOM 387 N SER A 26 9.304 -6.951 2.278 1.00 12.20 N ATOM 388 CA SER A 26 10.556 -6.456 2.909 1.00 40.53 C ATOM 389 C SER A 26 10.470 -4.969 3.351 1.00 33.41 C ATOM 390 O SER A 26 11.114 -4.564 4.324 1.00 4.14 O ATOM 391 CB SER A 26 11.730 -6.624 1.917 1.00 45.31 C ATOM 392 OG SER A 26 11.821 -7.962 1.449 1.00 65.12 O ATOM 0 H SER A 26 9.411 -7.173 1.288 1.00 12.20 H new ATOM 0 HA SER A 26 10.715 -7.050 3.809 1.00 40.53 H new ATOM 0 HB2 SER A 26 11.595 -5.949 1.072 1.00 45.31 H new ATOM 0 HB3 SER A 26 12.664 -6.342 2.404 1.00 45.31 H new ATOM 0 HG SER A 26 12.570 -8.039 0.822 1.00 65.12 H new ATOM 398 N ASP A 27 9.670 -4.168 2.624 1.00 21.14 N ATOM 399 CA ASP A 27 9.574 -2.698 2.840 1.00 51.31 C ATOM 400 C ASP A 27 8.637 -2.319 4.030 1.00 33.14 C ATOM 401 O ASP A 27 8.563 -1.139 4.408 1.00 72.55 O ATOM 402 CB ASP A 27 9.109 -2.020 1.523 1.00 61.02 C ATOM 403 CG ASP A 27 9.147 -0.476 1.576 1.00 22.23 C ATOM 404 OD1 ASP A 27 10.256 0.094 1.491 1.00 15.10 O ATOM 405 OD2 ASP A 27 8.076 0.170 1.718 1.00 32.41 O ATOM 0 H ASP A 27 9.072 -4.511 1.872 1.00 21.14 H new ATOM 0 HA ASP A 27 10.564 -2.333 3.114 1.00 51.31 H new ATOM 0 HB2 ASP A 27 9.742 -2.363 0.704 1.00 61.02 H new ATOM 0 HB3 ASP A 27 8.093 -2.343 1.297 1.00 61.02 H new ATOM 410 N MET A 28 7.941 -3.321 4.621 1.00 15.11 N ATOM 411 CA MET A 28 7.028 -3.106 5.779 1.00 54.40 C ATOM 412 C MET A 28 7.726 -2.353 6.942 1.00 41.44 C ATOM 413 O MET A 28 8.603 -2.903 7.620 1.00 25.41 O ATOM 414 CB MET A 28 6.428 -4.456 6.278 1.00 41.22 C ATOM 415 CG MET A 28 5.280 -4.990 5.412 1.00 15.32 C ATOM 416 SD MET A 28 3.902 -3.815 5.291 1.00 75.31 S ATOM 417 CE MET A 28 3.415 -3.582 7.005 1.00 44.13 C ATOM 0 H MET A 28 7.993 -4.293 4.315 1.00 15.11 H new ATOM 0 HA MET A 28 6.212 -2.475 5.427 1.00 54.40 H new ATOM 0 HB2 MET A 28 7.221 -5.203 6.312 1.00 41.22 H new ATOM 0 HB3 MET A 28 6.069 -4.326 7.299 1.00 41.22 H new ATOM 0 HG2 MET A 28 5.655 -5.211 4.413 1.00 15.32 H new ATOM 0 HG3 MET A 28 4.918 -5.929 5.831 1.00 15.32 H new ATOM 0 HE1 MET A 28 2.375 -3.258 7.047 1.00 44.13 H new ATOM 0 HE2 MET A 28 3.524 -4.522 7.545 1.00 44.13 H new ATOM 0 HE3 MET A 28 4.050 -2.824 7.464 1.00 44.13 H new ATOM 427 N GLY A 29 7.331 -1.080 7.128 1.00 61.31 N ATOM 428 CA GLY A 29 7.923 -0.202 8.134 1.00 51.10 C ATOM 429 C GLY A 29 7.851 1.276 7.735 1.00 73.53 C ATOM 430 O GLY A 29 6.771 1.783 7.412 1.00 42.25 O ATOM 0 H GLY A 29 6.592 -0.638 6.581 1.00 61.31 H new ATOM 0 HA2 GLY A 29 7.409 -0.344 9.084 1.00 51.10 H new ATOM 0 HA3 GLY A 29 8.965 -0.483 8.290 1.00 51.10 H new ATOM 434 N LYS A 30 9.020 1.939 7.694 1.00 22.00 N ATOM 435 CA LYS A 30 9.142 3.415 7.567 1.00 23.21 C ATOM 436 C LYS A 30 8.452 4.000 6.302 1.00 5.23 C ATOM 437 O LYS A 30 7.605 4.887 6.421 1.00 34.13 O ATOM 438 CB LYS A 30 10.639 3.804 7.582 1.00 45.22 C ATOM 439 CG LYS A 30 11.390 3.393 8.865 1.00 30.24 C ATOM 440 CD LYS A 30 12.903 3.681 8.771 1.00 32.15 C ATOM 441 CE LYS A 30 13.675 3.261 10.030 1.00 21.52 C ATOM 442 NZ LYS A 30 13.264 4.034 11.230 1.00 75.32 N ATOM 0 H LYS A 30 9.922 1.466 7.748 1.00 22.00 H new ATOM 0 HA LYS A 30 8.618 3.848 8.419 1.00 23.21 H new ATOM 0 HB2 LYS A 30 11.130 3.344 6.725 1.00 45.22 H new ATOM 0 HB3 LYS A 30 10.723 4.883 7.456 1.00 45.22 H new ATOM 0 HG2 LYS A 30 10.972 3.930 9.717 1.00 30.24 H new ATOM 0 HG3 LYS A 30 11.235 2.330 9.050 1.00 30.24 H new ATOM 0 HD2 LYS A 30 13.314 3.157 7.908 1.00 32.15 H new ATOM 0 HD3 LYS A 30 13.054 4.747 8.598 1.00 32.15 H new ATOM 0 HE2 LYS A 30 13.515 2.198 10.213 1.00 21.52 H new ATOM 0 HE3 LYS A 30 14.743 3.398 9.861 1.00 21.52 H new ATOM 0 HZ1 LYS A 30 13.859 3.763 12.038 1.00 75.32 H new ATOM 0 HZ2 LYS A 30 13.377 5.051 11.043 1.00 75.32 H new ATOM 0 HZ3 LYS A 30 12.268 3.831 11.450 1.00 75.32 H new ATOM 456 N SER A 31 8.822 3.489 5.104 1.00 11.22 N ATOM 457 CA SER A 31 8.284 3.987 3.802 1.00 10.14 C ATOM 458 C SER A 31 6.752 3.825 3.696 1.00 55.31 C ATOM 459 O SER A 31 6.066 4.714 3.184 1.00 62.41 O ATOM 460 CB SER A 31 8.959 3.274 2.607 1.00 72.55 C ATOM 461 OG SER A 31 10.349 3.538 2.553 1.00 71.32 O ATOM 0 H SER A 31 9.494 2.728 5.006 1.00 11.22 H new ATOM 0 HA SER A 31 8.516 5.052 3.766 1.00 10.14 H new ATOM 0 HB2 SER A 31 8.796 2.199 2.686 1.00 72.55 H new ATOM 0 HB3 SER A 31 8.491 3.600 1.678 1.00 72.55 H new ATOM 0 HG SER A 31 10.741 3.070 1.787 1.00 71.32 H new ATOM 467 N VAL A 32 6.232 2.679 4.182 1.00 3.23 N ATOM 468 CA VAL A 32 4.774 2.396 4.203 1.00 43.14 C ATOM 469 C VAL A 32 4.000 3.462 5.032 1.00 54.24 C ATOM 470 O VAL A 32 2.960 3.965 4.600 1.00 44.15 O ATOM 471 CB VAL A 32 4.476 0.947 4.763 1.00 62.42 C ATOM 472 CG1 VAL A 32 2.974 0.591 4.644 1.00 3.52 C ATOM 473 CG2 VAL A 32 5.347 -0.119 4.054 1.00 52.43 C ATOM 0 H VAL A 32 6.802 1.927 4.569 1.00 3.23 H new ATOM 0 HA VAL A 32 4.424 2.444 3.172 1.00 43.14 H new ATOM 0 HB VAL A 32 4.737 0.950 5.821 1.00 62.42 H new ATOM 0 HG11 VAL A 32 2.805 -0.411 5.038 1.00 3.52 H new ATOM 0 HG12 VAL A 32 2.384 1.309 5.213 1.00 3.52 H new ATOM 0 HG13 VAL A 32 2.674 0.624 3.597 1.00 3.52 H new ATOM 0 HG21 VAL A 32 5.119 -1.104 4.461 1.00 52.43 H new ATOM 0 HG22 VAL A 32 5.135 -0.110 2.985 1.00 52.43 H new ATOM 0 HG23 VAL A 32 6.401 0.106 4.217 1.00 52.43 H new ATOM 483 N MET A 33 4.571 3.841 6.189 1.00 24.22 N ATOM 484 CA MET A 33 3.932 4.803 7.124 1.00 14.44 C ATOM 485 C MET A 33 4.100 6.259 6.647 1.00 44.41 C ATOM 486 O MET A 33 3.215 7.101 6.841 1.00 34.11 O ATOM 487 CB MET A 33 4.494 4.645 8.563 1.00 32.32 C ATOM 488 CG MET A 33 4.427 3.209 9.106 1.00 43.22 C ATOM 489 SD MET A 33 2.888 2.356 8.687 1.00 74.54 S ATOM 490 CE MET A 33 1.645 3.389 9.455 1.00 52.23 C ATOM 0 H MET A 33 5.478 3.498 6.506 1.00 24.22 H new ATOM 0 HA MET A 33 2.867 4.572 7.138 1.00 14.44 H new ATOM 0 HB2 MET A 33 5.531 4.979 8.576 1.00 32.32 H new ATOM 0 HB3 MET A 33 3.939 5.302 9.233 1.00 32.32 H new ATOM 0 HG2 MET A 33 5.269 2.639 8.712 1.00 43.22 H new ATOM 0 HG3 MET A 33 4.538 3.232 10.190 1.00 43.22 H new ATOM 0 HE1 MET A 33 0.875 2.760 9.903 1.00 52.23 H new ATOM 0 HE2 MET A 33 2.108 4.002 10.228 1.00 52.23 H new ATOM 0 HE3 MET A 33 1.193 4.035 8.702 1.00 52.23 H new ATOM 500 N GLU A 34 5.242 6.527 6.013 1.00 4.22 N ATOM 501 CA GLU A 34 5.605 7.860 5.495 1.00 24.35 C ATOM 502 C GLU A 34 4.689 8.276 4.305 1.00 65.43 C ATOM 503 O GLU A 34 4.393 9.464 4.107 1.00 64.43 O ATOM 504 CB GLU A 34 7.103 7.833 5.087 1.00 42.31 C ATOM 505 CG GLU A 34 7.689 9.192 4.678 1.00 13.42 C ATOM 506 CD GLU A 34 9.215 9.176 4.485 1.00 50.31 C ATOM 507 OE1 GLU A 34 9.680 8.833 3.377 1.00 73.32 O ATOM 508 OE2 GLU A 34 9.954 9.517 5.441 1.00 13.31 O ATOM 0 H GLU A 34 5.955 5.819 5.839 1.00 4.22 H new ATOM 0 HA GLU A 34 5.455 8.611 6.271 1.00 24.35 H new ATOM 0 HB2 GLU A 34 7.684 7.440 5.921 1.00 42.31 H new ATOM 0 HB3 GLU A 34 7.225 7.137 4.257 1.00 42.31 H new ATOM 0 HG2 GLU A 34 7.218 9.516 3.750 1.00 13.42 H new ATOM 0 HG3 GLU A 34 7.436 9.930 5.439 1.00 13.42 H new ATOM 515 N THR A 35 4.238 7.271 3.533 1.00 55.41 N ATOM 516 CA THR A 35 3.281 7.458 2.414 1.00 3.45 C ATOM 517 C THR A 35 1.840 7.752 2.931 1.00 51.13 C ATOM 518 O THR A 35 1.106 8.552 2.331 1.00 10.10 O ATOM 519 CB THR A 35 3.275 6.194 1.486 1.00 43.34 C ATOM 520 OG1 THR A 35 4.610 5.904 1.042 1.00 13.54 O ATOM 521 CG2 THR A 35 2.376 6.366 0.252 1.00 22.41 C ATOM 0 H THR A 35 4.525 6.301 3.664 1.00 55.41 H new ATOM 0 HA THR A 35 3.611 8.323 1.839 1.00 3.45 H new ATOM 0 HB THR A 35 2.876 5.373 2.082 1.00 43.34 H new ATOM 0 HG1 THR A 35 5.117 5.496 1.775 1.00 13.54 H new ATOM 0 HG21 THR A 35 2.411 5.460 -0.353 1.00 22.41 H new ATOM 0 HG22 THR A 35 1.350 6.549 0.572 1.00 22.41 H new ATOM 0 HG23 THR A 35 2.728 7.211 -0.339 1.00 22.41 H new ATOM 529 N VAL A 36 1.450 7.103 4.057 1.00 70.02 N ATOM 530 CA VAL A 36 0.141 7.350 4.736 1.00 60.21 C ATOM 531 C VAL A 36 0.013 8.834 5.188 1.00 11.05 C ATOM 532 O VAL A 36 -1.065 9.441 5.082 1.00 55.21 O ATOM 533 CB VAL A 36 -0.053 6.378 5.974 1.00 51.04 C ATOM 534 CG1 VAL A 36 -1.365 6.670 6.745 1.00 62.54 C ATOM 535 CG2 VAL A 36 -0.009 4.894 5.525 1.00 41.44 C ATOM 0 H VAL A 36 2.024 6.399 4.521 1.00 70.02 H new ATOM 0 HA VAL A 36 -0.647 7.144 4.012 1.00 60.21 H new ATOM 0 HB VAL A 36 0.777 6.563 6.656 1.00 51.04 H new ATOM 0 HG11 VAL A 36 -1.455 5.980 7.584 1.00 62.54 H new ATOM 0 HG12 VAL A 36 -1.348 7.694 7.118 1.00 62.54 H new ATOM 0 HG13 VAL A 36 -2.216 6.541 6.076 1.00 62.54 H new ATOM 0 HG21 VAL A 36 -0.144 4.247 6.392 1.00 41.44 H new ATOM 0 HG22 VAL A 36 -0.806 4.708 4.805 1.00 41.44 H new ATOM 0 HG23 VAL A 36 0.955 4.682 5.062 1.00 41.44 H new ATOM 545 N ILE A 37 1.147 9.406 5.651 1.00 1.43 N ATOM 546 CA ILE A 37 1.257 10.840 6.026 1.00 14.32 C ATOM 547 C ILE A 37 0.875 11.764 4.843 1.00 44.54 C ATOM 548 O ILE A 37 0.151 12.748 5.023 1.00 42.22 O ATOM 549 CB ILE A 37 2.726 11.189 6.505 1.00 54.12 C ATOM 550 CG1 ILE A 37 3.091 10.385 7.794 1.00 1.32 C ATOM 551 CG2 ILE A 37 2.929 12.721 6.717 1.00 14.24 C ATOM 552 CD1 ILE A 37 4.519 10.564 8.294 1.00 13.22 C ATOM 0 H ILE A 37 2.016 8.887 5.777 1.00 1.43 H new ATOM 0 HA ILE A 37 0.560 11.010 6.846 1.00 14.32 H new ATOM 0 HB ILE A 37 3.408 10.890 5.709 1.00 54.12 H new ATOM 0 HG12 ILE A 37 2.406 10.677 8.590 1.00 1.32 H new ATOM 0 HG13 ILE A 37 2.922 9.326 7.601 1.00 1.32 H new ATOM 0 HG21 ILE A 37 3.951 12.911 7.045 1.00 14.24 H new ATOM 0 HG22 ILE A 37 2.746 13.246 5.779 1.00 14.24 H new ATOM 0 HG23 ILE A 37 2.232 13.079 7.475 1.00 14.24 H new ATOM 0 HD11 ILE A 37 4.668 9.964 9.192 1.00 13.22 H new ATOM 0 HD12 ILE A 37 5.218 10.242 7.522 1.00 13.22 H new ATOM 0 HD13 ILE A 37 4.694 11.614 8.526 1.00 13.22 H new ATOM 564 N ALA A 38 1.340 11.396 3.630 1.00 22.21 N ATOM 565 CA ALA A 38 1.176 12.215 2.413 1.00 25.03 C ATOM 566 C ALA A 38 -0.314 12.365 2.009 1.00 41.41 C ATOM 567 O ALA A 38 -0.787 13.479 1.779 1.00 10.14 O ATOM 568 CB ALA A 38 1.995 11.610 1.259 1.00 30.12 C ATOM 0 H ALA A 38 1.840 10.522 3.468 1.00 22.21 H new ATOM 0 HA ALA A 38 1.549 13.216 2.631 1.00 25.03 H new ATOM 0 HB1 ALA A 38 1.869 12.220 0.364 1.00 30.12 H new ATOM 0 HB2 ALA A 38 3.049 11.585 1.535 1.00 30.12 H new ATOM 0 HB3 ALA A 38 1.648 10.596 1.059 1.00 30.12 H new ATOM 574 N PHE A 39 -1.044 11.231 1.969 1.00 44.12 N ATOM 575 CA PHE A 39 -2.481 11.200 1.580 1.00 1.23 C ATOM 576 C PHE A 39 -3.376 11.922 2.619 1.00 14.14 C ATOM 577 O PHE A 39 -4.346 12.597 2.255 1.00 62.25 O ATOM 578 CB PHE A 39 -2.965 9.740 1.389 1.00 1.35 C ATOM 579 CG PHE A 39 -2.230 8.963 0.296 1.00 35.24 C ATOM 580 CD1 PHE A 39 -2.095 9.491 -0.991 1.00 62.20 C ATOM 581 CD2 PHE A 39 -1.692 7.702 0.548 1.00 5.33 C ATOM 582 CE1 PHE A 39 -1.446 8.781 -1.984 1.00 1.32 C ATOM 583 CE2 PHE A 39 -1.049 6.994 -0.447 1.00 32.34 C ATOM 584 CZ PHE A 39 -0.923 7.533 -1.708 1.00 24.23 C ATOM 0 H PHE A 39 -0.663 10.314 2.203 1.00 44.12 H new ATOM 0 HA PHE A 39 -2.569 11.733 0.633 1.00 1.23 H new ATOM 0 HB2 PHE A 39 -2.852 9.207 2.333 1.00 1.35 H new ATOM 0 HB3 PHE A 39 -4.029 9.752 1.155 1.00 1.35 H new ATOM 0 HD1 PHE A 39 -2.503 10.466 -1.213 1.00 62.20 H new ATOM 0 HD2 PHE A 39 -1.780 7.273 1.535 1.00 5.33 H new ATOM 0 HE1 PHE A 39 -1.348 9.202 -2.974 1.00 1.32 H new ATOM 0 HE2 PHE A 39 -0.644 6.015 -0.236 1.00 32.34 H new ATOM 0 HZ PHE A 39 -0.414 6.979 -2.483 1.00 24.23 H new ATOM 594 N ALA A 40 -3.030 11.765 3.911 1.00 34.40 N ATOM 595 CA ALA A 40 -3.732 12.442 5.024 1.00 71.14 C ATOM 596 C ALA A 40 -3.504 13.979 4.992 1.00 5.15 C ATOM 597 O ALA A 40 -4.400 14.767 5.343 1.00 21.33 O ATOM 598 CB ALA A 40 -3.264 11.851 6.364 1.00 10.32 C ATOM 0 H ALA A 40 -2.260 11.169 4.214 1.00 34.40 H new ATOM 0 HA ALA A 40 -4.803 12.272 4.910 1.00 71.14 H new ATOM 0 HB1 ALA A 40 -3.782 12.351 7.183 1.00 10.32 H new ATOM 0 HB2 ALA A 40 -3.489 10.785 6.390 1.00 10.32 H new ATOM 0 HB3 ALA A 40 -2.189 11.998 6.471 1.00 10.32 H new ATOM 604 N ASN A 41 -2.295 14.381 4.566 1.00 64.15 N ATOM 605 CA ASN A 41 -1.888 15.799 4.463 1.00 3.22 C ATOM 606 C ASN A 41 -2.607 16.520 3.288 1.00 33.24 C ATOM 607 O ASN A 41 -3.053 17.659 3.438 1.00 1.42 O ATOM 608 CB ASN A 41 -0.346 15.878 4.286 1.00 0.21 C ATOM 609 CG ASN A 41 0.224 17.303 4.329 1.00 72.21 C ATOM 610 OD1 ASN A 41 -0.315 18.187 4.986 1.00 71.53 O ATOM 611 ND2 ASN A 41 1.320 17.527 3.632 1.00 3.33 N ATOM 0 H ASN A 41 -1.565 13.729 4.280 1.00 64.15 H new ATOM 0 HA ASN A 41 -2.180 16.309 5.381 1.00 3.22 H new ATOM 0 HB2 ASN A 41 0.128 15.286 5.069 1.00 0.21 H new ATOM 0 HB3 ASN A 41 -0.078 15.421 3.334 1.00 0.21 H new ATOM 0 HD21 ASN A 41 1.742 18.456 3.630 1.00 3.33 H new ATOM 0 HD22 ASN A 41 1.746 16.772 3.095 1.00 3.33 H new ATOM 618 N GLU A 42 -2.723 15.835 2.132 1.00 40.11 N ATOM 619 CA GLU A 42 -3.294 16.424 0.891 1.00 43.32 C ATOM 620 C GLU A 42 -4.833 16.599 0.981 1.00 50.31 C ATOM 621 O GLU A 42 -5.537 15.646 1.326 1.00 20.01 O ATOM 622 CB GLU A 42 -2.916 15.561 -0.348 1.00 14.01 C ATOM 623 CG GLU A 42 -1.400 15.465 -0.622 1.00 54.31 C ATOM 624 CD GLU A 42 -0.712 16.832 -0.820 1.00 4.14 C ATOM 625 OE1 GLU A 42 -0.654 17.322 -1.971 1.00 34.05 O ATOM 626 OE2 GLU A 42 -0.231 17.428 0.175 1.00 3.40 O ATOM 0 H GLU A 42 -2.427 14.864 2.027 1.00 40.11 H new ATOM 0 HA GLU A 42 -2.861 17.418 0.777 1.00 43.32 H new ATOM 0 HB2 GLU A 42 -3.312 14.555 -0.209 1.00 14.01 H new ATOM 0 HB3 GLU A 42 -3.406 15.977 -1.228 1.00 14.01 H new ATOM 0 HG2 GLU A 42 -0.923 14.946 0.209 1.00 54.31 H new ATOM 0 HG3 GLU A 42 -1.239 14.856 -1.512 1.00 54.31 H new ATOM 633 N PRO A 43 -5.380 17.827 0.677 1.00 73.35 N ATOM 634 CA PRO A 43 -6.827 18.094 0.714 1.00 75.22 C ATOM 635 C PRO A 43 -7.538 17.763 -0.627 1.00 71.43 C ATOM 636 O PRO A 43 -7.222 18.342 -1.674 1.00 24.41 O ATOM 637 CB PRO A 43 -6.901 19.615 1.039 1.00 10.31 C ATOM 638 CG PRO A 43 -5.529 20.188 0.741 1.00 44.44 C ATOM 639 CD PRO A 43 -4.641 19.046 0.265 1.00 14.32 C ATOM 0 HA PRO A 43 -7.340 17.468 1.444 1.00 75.22 H new ATOM 0 HB2 PRO A 43 -7.665 20.104 0.434 1.00 10.31 H new ATOM 0 HB3 PRO A 43 -7.170 19.776 2.083 1.00 10.31 H new ATOM 0 HG2 PRO A 43 -5.596 20.963 -0.022 1.00 44.44 H new ATOM 0 HG3 PRO A 43 -5.108 20.654 1.632 1.00 44.44 H new ATOM 0 HD2 PRO A 43 -4.493 19.078 -0.814 1.00 14.32 H new ATOM 0 HD3 PRO A 43 -3.653 19.089 0.724 1.00 14.32 H new ATOM 647 N GLY A 44 -8.488 16.823 -0.570 1.00 72.01 N ATOM 648 CA GLY A 44 -9.350 16.474 -1.705 1.00 31.31 C ATOM 649 C GLY A 44 -8.811 15.362 -2.612 1.00 31.50 C ATOM 650 O GLY A 44 -9.323 15.188 -3.722 1.00 62.32 O ATOM 0 H GLY A 44 -8.682 16.279 0.271 1.00 72.01 H new ATOM 0 HA2 GLY A 44 -10.324 16.169 -1.322 1.00 31.31 H new ATOM 0 HA3 GLY A 44 -9.510 17.368 -2.308 1.00 31.31 H new ATOM 654 N LEU A 45 -7.792 14.591 -2.163 1.00 12.23 N ATOM 655 CA LEU A 45 -7.163 13.517 -2.985 1.00 61.14 C ATOM 656 C LEU A 45 -7.473 12.100 -2.389 1.00 3.12 C ATOM 657 O LEU A 45 -6.731 11.131 -2.609 1.00 0.02 O ATOM 658 CB LEU A 45 -5.624 13.838 -3.090 1.00 21.23 C ATOM 659 CG LEU A 45 -4.748 13.101 -4.198 1.00 31.42 C ATOM 660 CD1 LEU A 45 -3.926 11.920 -3.623 1.00 24.01 C ATOM 661 CD2 LEU A 45 -5.604 12.641 -5.406 1.00 74.31 C ATOM 0 H LEU A 45 -7.384 14.690 -1.234 1.00 12.23 H new ATOM 0 HA LEU A 45 -7.579 13.493 -3.992 1.00 61.14 H new ATOM 0 HB2 LEU A 45 -5.523 14.911 -3.253 1.00 21.23 H new ATOM 0 HB3 LEU A 45 -5.177 13.620 -2.120 1.00 21.23 H new ATOM 0 HG LEU A 45 -4.036 13.844 -4.556 1.00 31.42 H new ATOM 0 HD11 LEU A 45 -3.349 11.455 -4.422 1.00 24.01 H new ATOM 0 HD12 LEU A 45 -3.248 12.289 -2.853 1.00 24.01 H new ATOM 0 HD13 LEU A 45 -4.602 11.184 -3.188 1.00 24.01 H new ATOM 0 HD21 LEU A 45 -4.965 12.144 -6.136 1.00 74.31 H new ATOM 0 HD22 LEU A 45 -6.373 11.948 -5.064 1.00 74.31 H new ATOM 0 HD23 LEU A 45 -6.077 13.508 -5.868 1.00 74.31 H new ATOM 673 N ASP A 46 -8.577 12.006 -1.616 1.00 53.14 N ATOM 674 CA ASP A 46 -9.212 10.709 -1.225 1.00 21.34 C ATOM 675 C ASP A 46 -9.236 9.672 -2.399 1.00 43.40 C ATOM 676 O ASP A 46 -9.626 9.984 -3.533 1.00 2.21 O ATOM 677 CB ASP A 46 -10.639 10.963 -0.670 1.00 20.05 C ATOM 678 CG ASP A 46 -11.578 11.648 -1.677 1.00 54.13 C ATOM 679 OD1 ASP A 46 -11.443 12.876 -1.898 1.00 10.44 O ATOM 680 OD2 ASP A 46 -12.444 10.968 -2.273 1.00 50.50 O ATOM 0 H ASP A 46 -9.060 12.822 -1.241 1.00 53.14 H new ATOM 0 HA ASP A 46 -8.599 10.266 -0.440 1.00 21.34 H new ATOM 0 HB2 ASP A 46 -11.077 10.012 -0.367 1.00 20.05 H new ATOM 0 HB3 ASP A 46 -10.567 11.581 0.225 1.00 20.05 H new ATOM 685 N GLY A 47 -8.828 8.431 -2.094 1.00 52.02 N ATOM 686 CA GLY A 47 -8.411 7.444 -3.122 1.00 20.31 C ATOM 687 C GLY A 47 -6.948 7.008 -2.923 1.00 33.20 C ATOM 688 O GLY A 47 -6.388 6.267 -3.733 1.00 2.22 O ATOM 0 H GLY A 47 -8.775 8.078 -1.139 1.00 52.02 H new ATOM 0 HA2 GLY A 47 -9.062 6.571 -3.075 1.00 20.31 H new ATOM 0 HA3 GLY A 47 -8.531 7.878 -4.115 1.00 20.31 H new ATOM 692 N GLY A 48 -6.324 7.594 -1.880 1.00 34.41 N ATOM 693 CA GLY A 48 -4.982 7.220 -1.407 1.00 0.21 C ATOM 694 C GLY A 48 -4.847 5.731 -1.029 1.00 40.25 C ATOM 695 O GLY A 48 -5.278 5.326 0.049 1.00 2.20 O ATOM 0 H GLY A 48 -6.746 8.349 -1.339 1.00 34.41 H new ATOM 0 HA2 GLY A 48 -4.255 7.455 -2.184 1.00 0.21 H new ATOM 0 HA3 GLY A 48 -4.730 7.830 -0.539 1.00 0.21 H new ATOM 699 N TYR A 49 -4.267 4.918 -1.938 1.00 34.22 N ATOM 700 CA TYR A 49 -4.055 3.462 -1.714 1.00 51.54 C ATOM 701 C TYR A 49 -2.555 3.076 -1.699 1.00 13.04 C ATOM 702 O TYR A 49 -1.734 3.652 -2.415 1.00 31.15 O ATOM 703 CB TYR A 49 -4.797 2.625 -2.796 1.00 62.31 C ATOM 704 CG TYR A 49 -6.317 2.500 -2.580 1.00 4.41 C ATOM 705 CD1 TYR A 49 -6.843 1.531 -1.717 1.00 23.51 C ATOM 706 CD2 TYR A 49 -7.220 3.342 -3.228 1.00 24.14 C ATOM 707 CE1 TYR A 49 -8.201 1.417 -1.512 1.00 74.22 C ATOM 708 CE2 TYR A 49 -8.581 3.228 -3.025 1.00 3.31 C ATOM 709 CZ TYR A 49 -9.065 2.265 -2.164 1.00 24.44 C ATOM 710 OH TYR A 49 -10.424 2.154 -1.949 1.00 54.32 O ATOM 0 H TYR A 49 -3.932 5.245 -2.844 1.00 34.22 H new ATOM 0 HA TYR A 49 -4.466 3.237 -0.730 1.00 51.54 H new ATOM 0 HB2 TYR A 49 -4.618 3.077 -3.772 1.00 62.31 H new ATOM 0 HB3 TYR A 49 -4.364 1.625 -2.823 1.00 62.31 H new ATOM 0 HD1 TYR A 49 -6.172 0.860 -1.202 1.00 23.51 H new ATOM 0 HD2 TYR A 49 -6.847 4.099 -3.902 1.00 24.14 H new ATOM 0 HE1 TYR A 49 -8.586 0.663 -0.841 1.00 74.22 H new ATOM 0 HE2 TYR A 49 -9.263 3.890 -3.538 1.00 3.31 H new ATOM 0 HH TYR A 49 -10.896 2.826 -2.483 1.00 54.32 H new ATOM 720 N LEU A 50 -2.228 2.093 -0.840 1.00 15.52 N ATOM 721 CA LEU A 50 -0.950 1.354 -0.848 1.00 63.10 C ATOM 722 C LEU A 50 -1.259 -0.139 -1.087 1.00 43.11 C ATOM 723 O LEU A 50 -2.144 -0.697 -0.423 1.00 4.25 O ATOM 724 CB LEU A 50 -0.174 1.498 0.501 1.00 3.14 C ATOM 725 CG LEU A 50 0.324 2.931 0.901 1.00 2.23 C ATOM 726 CD1 LEU A 50 -0.818 3.822 1.447 1.00 30.43 C ATOM 727 CD2 LEU A 50 1.489 2.846 1.910 1.00 4.44 C ATOM 0 H LEU A 50 -2.860 1.782 -0.102 1.00 15.52 H new ATOM 0 HA LEU A 50 -0.321 1.768 -1.636 1.00 63.10 H new ATOM 0 HB2 LEU A 50 -0.818 1.130 1.300 1.00 3.14 H new ATOM 0 HB3 LEU A 50 0.693 0.839 0.462 1.00 3.14 H new ATOM 0 HG LEU A 50 0.688 3.407 -0.010 1.00 2.23 H new ATOM 0 HD11 LEU A 50 -0.421 4.803 1.709 1.00 30.43 H new ATOM 0 HD12 LEU A 50 -1.588 3.935 0.684 1.00 30.43 H new ATOM 0 HD13 LEU A 50 -1.250 3.357 2.333 1.00 30.43 H new ATOM 0 HD21 LEU A 50 1.817 3.852 2.172 1.00 4.44 H new ATOM 0 HD22 LEU A 50 1.155 2.327 2.809 1.00 4.44 H new ATOM 0 HD23 LEU A 50 2.319 2.299 1.463 1.00 4.44 H new ATOM 739 N LEU A 51 -0.553 -0.790 -2.030 1.00 1.41 N ATOM 740 CA LEU A 51 -0.751 -2.234 -2.299 1.00 61.44 C ATOM 741 C LEU A 51 0.485 -3.054 -1.850 1.00 4.14 C ATOM 742 O LEU A 51 1.574 -2.931 -2.423 1.00 53.24 O ATOM 743 CB LEU A 51 -1.073 -2.475 -3.800 1.00 2.34 C ATOM 744 CG LEU A 51 -1.531 -3.924 -4.159 1.00 72.34 C ATOM 745 CD1 LEU A 51 -2.816 -4.306 -3.398 1.00 22.42 C ATOM 746 CD2 LEU A 51 -1.722 -4.099 -5.680 1.00 33.42 C ATOM 0 H LEU A 51 0.155 -0.347 -2.616 1.00 1.41 H new ATOM 0 HA LEU A 51 -1.605 -2.576 -1.715 1.00 61.44 H new ATOM 0 HB2 LEU A 51 -1.855 -1.779 -4.103 1.00 2.34 H new ATOM 0 HB3 LEU A 51 -0.187 -2.235 -4.388 1.00 2.34 H new ATOM 0 HG LEU A 51 -0.737 -4.602 -3.845 1.00 72.34 H new ATOM 0 HD11 LEU A 51 -3.111 -5.320 -3.668 1.00 22.42 H new ATOM 0 HD12 LEU A 51 -2.632 -4.255 -2.325 1.00 22.42 H new ATOM 0 HD13 LEU A 51 -3.615 -3.613 -3.662 1.00 22.42 H new ATOM 0 HD21 LEU A 51 -2.041 -5.120 -5.892 1.00 33.42 H new ATOM 0 HD22 LEU A 51 -2.481 -3.401 -6.034 1.00 33.42 H new ATOM 0 HD23 LEU A 51 -0.780 -3.900 -6.190 1.00 33.42 H new ATOM 758 N LEU A 52 0.302 -3.875 -0.800 1.00 33.11 N ATOM 759 CA LEU A 52 1.369 -4.725 -0.218 1.00 5.14 C ATOM 760 C LEU A 52 1.429 -6.107 -0.908 1.00 22.02 C ATOM 761 O LEU A 52 0.402 -6.758 -1.100 1.00 63.25 O ATOM 762 CB LEU A 52 1.137 -4.909 1.313 1.00 73.23 C ATOM 763 CG LEU A 52 1.499 -3.700 2.235 1.00 54.41 C ATOM 764 CD1 LEU A 52 3.002 -3.393 2.170 1.00 54.23 C ATOM 765 CD2 LEU A 52 0.643 -2.445 1.932 1.00 41.21 C ATOM 0 H LEU A 52 -0.595 -3.971 -0.325 1.00 33.11 H new ATOM 0 HA LEU A 52 2.321 -4.221 -0.382 1.00 5.14 H new ATOM 0 HB2 LEU A 52 0.086 -5.152 1.470 1.00 73.23 H new ATOM 0 HB3 LEU A 52 1.716 -5.772 1.642 1.00 73.23 H new ATOM 0 HG LEU A 52 1.259 -3.992 3.257 1.00 54.41 H new ATOM 0 HD11 LEU A 52 3.229 -2.548 2.820 1.00 54.23 H new ATOM 0 HD12 LEU A 52 3.566 -4.266 2.499 1.00 54.23 H new ATOM 0 HD13 LEU A 52 3.279 -3.147 1.145 1.00 54.23 H new ATOM 0 HD21 LEU A 52 0.935 -1.635 2.601 1.00 41.21 H new ATOM 0 HD22 LEU A 52 0.801 -2.137 0.898 1.00 41.21 H new ATOM 0 HD23 LEU A 52 -0.411 -2.678 2.084 1.00 41.21 H new ATOM 777 N GLY A 53 2.651 -6.534 -1.259 1.00 10.04 N ATOM 778 CA GLY A 53 2.889 -7.845 -1.878 1.00 3.14 C ATOM 779 C GLY A 53 3.026 -7.761 -3.397 1.00 14.10 C ATOM 780 O GLY A 53 2.614 -8.667 -4.128 1.00 51.25 O ATOM 0 H GLY A 53 3.498 -5.983 -1.122 1.00 10.04 H new ATOM 0 HA2 GLY A 53 3.796 -8.281 -1.459 1.00 3.14 H new ATOM 0 HA3 GLY A 53 2.067 -8.516 -1.628 1.00 3.14 H new ATOM 784 N VAL A 54 3.607 -6.652 -3.875 1.00 71.03 N ATOM 785 CA VAL A 54 3.865 -6.426 -5.315 1.00 22.33 C ATOM 786 C VAL A 54 5.374 -6.411 -5.594 1.00 50.34 C ATOM 787 O VAL A 54 6.141 -5.798 -4.849 1.00 34.50 O ATOM 788 CB VAL A 54 3.242 -5.065 -5.800 1.00 3.20 C ATOM 789 CG1 VAL A 54 3.444 -4.849 -7.323 1.00 64.41 C ATOM 790 CG2 VAL A 54 1.753 -4.981 -5.428 1.00 10.41 C ATOM 0 H VAL A 54 3.914 -5.883 -3.279 1.00 71.03 H new ATOM 0 HA VAL A 54 3.397 -7.244 -5.862 1.00 22.33 H new ATOM 0 HB VAL A 54 3.771 -4.263 -5.285 1.00 3.20 H new ATOM 0 HG11 VAL A 54 3.000 -3.898 -7.618 1.00 64.41 H new ATOM 0 HG12 VAL A 54 4.510 -4.837 -7.551 1.00 64.41 H new ATOM 0 HG13 VAL A 54 2.965 -5.659 -7.872 1.00 64.41 H new ATOM 0 HG21 VAL A 54 1.345 -4.031 -5.774 1.00 10.41 H new ATOM 0 HG22 VAL A 54 1.213 -5.802 -5.900 1.00 10.41 H new ATOM 0 HG23 VAL A 54 1.644 -5.050 -4.346 1.00 10.41 H new ATOM 800 N ASP A 55 5.779 -7.069 -6.684 1.00 73.55 N ATOM 801 CA ASP A 55 7.169 -7.077 -7.158 1.00 22.43 C ATOM 802 C ASP A 55 7.176 -6.728 -8.651 1.00 60.30 C ATOM 803 O ASP A 55 6.451 -7.334 -9.439 1.00 64.25 O ATOM 804 CB ASP A 55 7.808 -8.458 -6.907 1.00 4.24 C ATOM 805 CG ASP A 55 9.280 -8.531 -7.333 1.00 34.15 C ATOM 806 OD1 ASP A 55 10.157 -8.195 -6.509 1.00 42.25 O ATOM 807 OD2 ASP A 55 9.565 -8.926 -8.485 1.00 0.13 O ATOM 0 H ASP A 55 5.147 -7.616 -7.268 1.00 73.55 H new ATOM 0 HA ASP A 55 7.757 -6.338 -6.614 1.00 22.43 H new ATOM 0 HB2 ASP A 55 7.731 -8.699 -5.847 1.00 4.24 H new ATOM 0 HB3 ASP A 55 7.242 -9.216 -7.448 1.00 4.24 H new ATOM 812 N TRP A 56 8.024 -5.783 -9.034 1.00 50.53 N ATOM 813 CA TRP A 56 8.076 -5.240 -10.409 1.00 72.23 C ATOM 814 C TRP A 56 9.433 -5.542 -11.067 1.00 72.42 C ATOM 815 O TRP A 56 10.482 -5.435 -10.425 1.00 4.34 O ATOM 816 CB TRP A 56 7.773 -3.711 -10.396 1.00 65.22 C ATOM 817 CG TRP A 56 8.528 -2.932 -9.334 1.00 13.33 C ATOM 818 CD1 TRP A 56 9.738 -2.298 -9.448 1.00 55.31 C ATOM 819 CD2 TRP A 56 8.104 -2.732 -7.979 1.00 73.01 C ATOM 820 NE1 TRP A 56 10.088 -1.734 -8.244 1.00 54.23 N ATOM 821 CE2 TRP A 56 9.101 -1.983 -7.330 1.00 13.03 C ATOM 822 CE3 TRP A 56 6.974 -3.126 -7.260 1.00 42.41 C ATOM 823 CZ2 TRP A 56 9.000 -1.629 -5.984 1.00 71.52 C ATOM 824 CZ3 TRP A 56 6.868 -2.768 -5.934 1.00 4.53 C ATOM 825 CH2 TRP A 56 7.875 -2.024 -5.308 1.00 24.01 C ATOM 0 H TRP A 56 8.705 -5.360 -8.404 1.00 50.53 H new ATOM 0 HA TRP A 56 7.309 -5.731 -11.008 1.00 72.23 H new ATOM 0 HB2 TRP A 56 8.015 -3.296 -11.375 1.00 65.22 H new ATOM 0 HB3 TRP A 56 6.703 -3.566 -10.244 1.00 65.22 H new ATOM 0 HD1 TRP A 56 10.329 -2.249 -10.350 1.00 55.31 H new ATOM 0 HE1 TRP A 56 10.946 -1.213 -8.061 1.00 54.23 H new ATOM 0 HE3 TRP A 56 6.195 -3.703 -7.736 1.00 42.41 H new ATOM 0 HZ2 TRP A 56 9.779 -1.065 -5.493 1.00 71.52 H new ATOM 0 HZ3 TRP A 56 5.996 -3.065 -5.370 1.00 4.53 H new ATOM 0 HH2 TRP A 56 7.763 -1.755 -4.268 1.00 24.01 H new ATOM 836 N ALA A 57 9.396 -5.929 -12.353 1.00 31.31 N ATOM 837 CA ALA A 57 10.601 -6.280 -13.130 1.00 73.42 C ATOM 838 C ALA A 57 10.569 -5.620 -14.521 1.00 62.10 C ATOM 839 O ALA A 57 9.513 -5.525 -15.156 1.00 1.33 O ATOM 840 CB ALA A 57 10.737 -7.806 -13.250 1.00 10.34 C ATOM 0 H ALA A 57 8.530 -6.008 -12.886 1.00 31.31 H new ATOM 0 HA ALA A 57 11.474 -5.899 -12.600 1.00 73.42 H new ATOM 0 HB1 ALA A 57 11.630 -8.048 -13.826 1.00 10.34 H new ATOM 0 HB2 ALA A 57 10.817 -8.244 -12.255 1.00 10.34 H new ATOM 0 HB3 ALA A 57 9.860 -8.211 -13.755 1.00 10.34 H new ATOM 846 N ILE A 58 11.745 -5.172 -14.975 1.00 0.25 N ATOM 847 CA ILE A 58 11.914 -4.439 -16.243 1.00 71.24 C ATOM 848 C ILE A 58 12.394 -5.384 -17.373 1.00 62.50 C ATOM 849 O ILE A 58 13.309 -6.192 -17.170 1.00 51.04 O ATOM 850 CB ILE A 58 12.923 -3.245 -16.028 1.00 62.14 C ATOM 851 CG1 ILE A 58 12.324 -2.212 -15.008 1.00 65.40 C ATOM 852 CG2 ILE A 58 13.305 -2.558 -17.358 1.00 71.50 C ATOM 853 CD1 ILE A 58 13.173 -0.974 -14.757 1.00 13.33 C ATOM 0 H ILE A 58 12.620 -5.308 -14.468 1.00 0.25 H new ATOM 0 HA ILE A 58 10.950 -4.034 -16.551 1.00 71.24 H new ATOM 0 HB ILE A 58 13.844 -3.657 -15.614 1.00 62.14 H new ATOM 0 HG12 ILE A 58 11.347 -1.894 -15.371 1.00 65.40 H new ATOM 0 HG13 ILE A 58 12.161 -2.719 -14.057 1.00 65.40 H new ATOM 0 HG21 ILE A 58 14.001 -1.743 -17.160 1.00 71.50 H new ATOM 0 HG22 ILE A 58 13.776 -3.284 -18.020 1.00 71.50 H new ATOM 0 HG23 ILE A 58 12.408 -2.162 -17.834 1.00 71.50 H new ATOM 0 HD11 ILE A 58 12.669 -0.327 -14.039 1.00 13.33 H new ATOM 0 HD12 ILE A 58 14.143 -1.272 -14.359 1.00 13.33 H new ATOM 0 HD13 ILE A 58 13.316 -0.435 -15.693 1.00 13.33 H new ATOM 865 N ASN A 59 11.754 -5.281 -18.560 1.00 14.51 N ATOM 866 CA ASN A 59 12.147 -6.062 -19.763 1.00 52.34 C ATOM 867 C ASN A 59 13.251 -5.341 -20.587 1.00 61.12 C ATOM 868 O ASN A 59 13.766 -4.296 -20.178 1.00 0.31 O ATOM 869 CB ASN A 59 10.894 -6.369 -20.635 1.00 10.31 C ATOM 870 CG ASN A 59 10.150 -5.141 -21.178 1.00 65.13 C ATOM 871 OD1 ASN A 59 10.715 -4.081 -21.406 1.00 75.13 O ATOM 872 ND2 ASN A 59 8.870 -5.292 -21.427 1.00 30.11 N ATOM 0 H ASN A 59 10.958 -4.662 -18.714 1.00 14.51 H new ATOM 0 HA ASN A 59 12.575 -7.007 -19.428 1.00 52.34 H new ATOM 0 HB2 ASN A 59 11.202 -6.987 -21.478 1.00 10.31 H new ATOM 0 HB3 ASN A 59 10.197 -6.962 -20.043 1.00 10.31 H new ATOM 0 HD21 ASN A 59 8.331 -4.518 -21.817 1.00 30.11 H new ATOM 0 HD22 ASN A 59 8.414 -6.183 -21.231 1.00 30.11 H new ATOM 879 N ASP A 60 13.585 -5.902 -21.766 1.00 44.53 N ATOM 880 CA ASP A 60 14.643 -5.361 -22.657 1.00 43.15 C ATOM 881 C ASP A 60 14.307 -3.952 -23.235 1.00 71.44 C ATOM 882 O ASP A 60 15.221 -3.201 -23.585 1.00 24.14 O ATOM 883 CB ASP A 60 14.916 -6.363 -23.804 1.00 50.44 C ATOM 884 CG ASP A 60 15.412 -7.724 -23.284 1.00 42.43 C ATOM 885 OD1 ASP A 60 16.616 -7.845 -22.961 1.00 72.42 O ATOM 886 OD2 ASP A 60 14.600 -8.666 -23.161 1.00 4.25 O ATOM 0 H ASP A 60 13.133 -6.741 -22.131 1.00 44.53 H new ATOM 0 HA ASP A 60 15.537 -5.232 -22.048 1.00 43.15 H new ATOM 0 HB2 ASP A 60 14.003 -6.508 -24.382 1.00 50.44 H new ATOM 0 HB3 ASP A 60 15.659 -5.943 -24.482 1.00 50.44 H new ATOM 891 N LYS A 61 13.004 -3.600 -23.347 1.00 64.04 N ATOM 892 CA LYS A 61 12.584 -2.264 -23.857 1.00 2.13 C ATOM 893 C LYS A 61 12.631 -1.201 -22.730 1.00 0.31 C ATOM 894 O LYS A 61 12.877 -0.021 -22.991 1.00 62.54 O ATOM 895 CB LYS A 61 11.157 -2.292 -24.475 1.00 43.14 C ATOM 896 CG LYS A 61 10.879 -3.452 -25.463 1.00 32.52 C ATOM 897 CD LYS A 61 9.766 -3.128 -26.501 1.00 30.31 C ATOM 898 CE LYS A 61 8.469 -2.561 -25.877 1.00 63.43 C ATOM 899 NZ LYS A 61 7.849 -3.483 -24.896 1.00 32.43 N ATOM 0 H LYS A 61 12.229 -4.213 -23.095 1.00 64.04 H new ATOM 0 HA LYS A 61 13.291 -1.997 -24.642 1.00 2.13 H new ATOM 0 HB2 LYS A 61 10.430 -2.347 -23.664 1.00 43.14 H new ATOM 0 HB3 LYS A 61 10.986 -1.348 -24.993 1.00 43.14 H new ATOM 0 HG2 LYS A 61 11.800 -3.696 -25.993 1.00 32.52 H new ATOM 0 HG3 LYS A 61 10.592 -4.339 -24.898 1.00 32.52 H new ATOM 0 HD2 LYS A 61 10.154 -2.409 -27.222 1.00 30.31 H new ATOM 0 HD3 LYS A 61 9.524 -4.036 -27.054 1.00 30.31 H new ATOM 0 HE2 LYS A 61 8.692 -1.613 -25.387 1.00 63.43 H new ATOM 0 HE3 LYS A 61 7.753 -2.348 -26.671 1.00 63.43 H new ATOM 0 HZ1 LYS A 61 6.826 -3.544 -25.076 1.00 32.43 H new ATOM 0 HZ2 LYS A 61 8.274 -4.427 -24.990 1.00 32.43 H new ATOM 0 HZ3 LYS A 61 8.010 -3.125 -23.933 1.00 32.43 H new ATOM 913 N GLY A 62 12.396 -1.637 -21.478 1.00 30.33 N ATOM 914 CA GLY A 62 12.384 -0.733 -20.313 1.00 55.14 C ATOM 915 C GLY A 62 11.031 -0.645 -19.581 1.00 41.02 C ATOM 916 O GLY A 62 10.849 0.228 -18.726 1.00 21.41 O ATOM 0 H GLY A 62 12.211 -2.613 -21.247 1.00 30.33 H new ATOM 0 HA2 GLY A 62 13.144 -1.064 -19.605 1.00 55.14 H new ATOM 0 HA3 GLY A 62 12.669 0.266 -20.642 1.00 55.14 H new ATOM 920 N ASP A 63 10.094 -1.554 -19.900 1.00 3.00 N ATOM 921 CA ASP A 63 8.746 -1.593 -19.273 1.00 70.50 C ATOM 922 C ASP A 63 8.791 -2.225 -17.861 1.00 0.10 C ATOM 923 O ASP A 63 9.152 -3.400 -17.712 1.00 62.22 O ATOM 924 CB ASP A 63 7.755 -2.395 -20.151 1.00 43.52 C ATOM 925 CG ASP A 63 7.637 -1.855 -21.582 1.00 34.12 C ATOM 926 OD1 ASP A 63 8.487 -2.205 -22.425 1.00 21.14 O ATOM 927 OD2 ASP A 63 6.688 -1.095 -21.871 1.00 64.51 O ATOM 0 H ASP A 63 10.241 -2.284 -20.597 1.00 3.00 H new ATOM 0 HA ASP A 63 8.407 -0.561 -19.185 1.00 70.50 H new ATOM 0 HB2 ASP A 63 8.074 -3.436 -20.188 1.00 43.52 H new ATOM 0 HB3 ASP A 63 6.771 -2.380 -19.682 1.00 43.52 H new ATOM 932 N THR A 64 8.426 -1.429 -16.843 1.00 61.23 N ATOM 933 CA THR A 64 8.267 -1.903 -15.451 1.00 61.41 C ATOM 934 C THR A 64 6.898 -2.615 -15.290 1.00 2.31 C ATOM 935 O THR A 64 5.844 -1.964 -15.311 1.00 41.42 O ATOM 936 CB THR A 64 8.371 -0.712 -14.432 1.00 42.15 C ATOM 937 OG1 THR A 64 9.623 -0.017 -14.607 1.00 74.42 O ATOM 938 CG2 THR A 64 8.259 -1.178 -12.966 1.00 2.22 C ATOM 0 H THR A 64 8.231 -0.434 -16.959 1.00 61.23 H new ATOM 0 HA THR A 64 9.072 -2.607 -15.237 1.00 61.41 H new ATOM 0 HB THR A 64 7.533 -0.047 -14.640 1.00 42.15 H new ATOM 0 HG1 THR A 64 9.678 0.725 -13.969 1.00 74.42 H new ATOM 0 HG21 THR A 64 8.337 -0.316 -12.303 1.00 2.22 H new ATOM 0 HG22 THR A 64 7.297 -1.668 -12.812 1.00 2.22 H new ATOM 0 HG23 THR A 64 9.063 -1.880 -12.745 1.00 2.22 H new ATOM 946 N VAL A 65 6.925 -3.953 -15.154 1.00 32.21 N ATOM 947 CA VAL A 65 5.703 -4.792 -15.059 1.00 12.02 C ATOM 948 C VAL A 65 5.502 -5.287 -13.603 1.00 41.14 C ATOM 949 O VAL A 65 6.379 -5.950 -13.043 1.00 72.12 O ATOM 950 CB VAL A 65 5.773 -6.027 -16.039 1.00 42.13 C ATOM 951 CG1 VAL A 65 4.445 -6.830 -16.022 1.00 30.43 C ATOM 952 CG2 VAL A 65 6.134 -5.576 -17.480 1.00 55.41 C ATOM 0 H VAL A 65 7.792 -4.489 -15.106 1.00 32.21 H new ATOM 0 HA VAL A 65 4.854 -4.174 -15.351 1.00 12.02 H new ATOM 0 HB VAL A 65 6.566 -6.687 -15.687 1.00 42.13 H new ATOM 0 HG11 VAL A 65 4.522 -7.675 -16.706 1.00 30.43 H new ATOM 0 HG12 VAL A 65 4.254 -7.196 -15.013 1.00 30.43 H new ATOM 0 HG13 VAL A 65 3.625 -6.184 -16.334 1.00 30.43 H new ATOM 0 HG21 VAL A 65 6.175 -6.447 -18.134 1.00 55.41 H new ATOM 0 HG22 VAL A 65 5.376 -4.884 -17.845 1.00 55.41 H new ATOM 0 HG23 VAL A 65 7.105 -5.080 -17.474 1.00 55.41 H new ATOM 962 N TYR A 66 4.329 -4.986 -13.021 1.00 24.25 N ATOM 963 CA TYR A 66 4.015 -5.261 -11.598 1.00 34.53 C ATOM 964 C TYR A 66 3.289 -6.625 -11.455 1.00 74.32 C ATOM 965 O TYR A 66 2.244 -6.861 -12.074 1.00 32.13 O ATOM 966 CB TYR A 66 3.133 -4.119 -11.016 1.00 22.33 C ATOM 967 CG TYR A 66 3.764 -2.708 -11.078 1.00 24.23 C ATOM 968 CD1 TYR A 66 3.924 -2.047 -12.299 1.00 15.32 C ATOM 969 CD2 TYR A 66 4.171 -2.028 -9.920 1.00 62.31 C ATOM 970 CE1 TYR A 66 4.461 -0.777 -12.369 1.00 62.34 C ATOM 971 CE2 TYR A 66 4.705 -0.751 -9.990 1.00 10.34 C ATOM 972 CZ TYR A 66 4.847 -0.132 -11.217 1.00 52.54 C ATOM 973 OH TYR A 66 5.376 1.142 -11.292 1.00 5.32 O ATOM 0 H TYR A 66 3.562 -4.541 -13.525 1.00 24.25 H new ATOM 0 HA TYR A 66 4.949 -5.307 -11.038 1.00 34.53 H new ATOM 0 HB2 TYR A 66 2.186 -4.101 -11.556 1.00 22.33 H new ATOM 0 HB3 TYR A 66 2.903 -4.352 -9.976 1.00 22.33 H new ATOM 0 HD1 TYR A 66 3.620 -2.542 -13.210 1.00 15.32 H new ATOM 0 HD2 TYR A 66 4.066 -2.508 -8.958 1.00 62.31 H new ATOM 0 HE1 TYR A 66 4.578 -0.291 -13.326 1.00 62.34 H new ATOM 0 HE2 TYR A 66 5.009 -0.241 -9.088 1.00 10.34 H new ATOM 0 HH TYR A 66 5.369 1.445 -12.224 1.00 5.32 H new ATOM 983 N ARG A 67 3.854 -7.517 -10.626 1.00 33.12 N ATOM 984 CA ARG A 67 3.403 -8.923 -10.480 1.00 62.11 C ATOM 985 C ARG A 67 3.004 -9.251 -9.013 1.00 22.04 C ATOM 986 O ARG A 67 3.578 -8.681 -8.072 1.00 21.34 O ATOM 987 CB ARG A 67 4.551 -9.867 -10.946 1.00 11.10 C ATOM 988 CG ARG A 67 4.907 -9.735 -12.443 1.00 60.34 C ATOM 989 CD ARG A 67 3.793 -10.260 -13.370 1.00 71.32 C ATOM 990 NE ARG A 67 4.063 -9.982 -14.790 1.00 11.51 N ATOM 991 CZ ARG A 67 4.887 -10.654 -15.569 1.00 31.42 C ATOM 992 NH1 ARG A 67 5.573 -11.668 -15.130 1.00 23.51 N ATOM 993 NH2 ARG A 67 5.018 -10.300 -16.806 1.00 74.31 N ATOM 0 H ARG A 67 4.647 -7.286 -10.028 1.00 33.12 H new ATOM 0 HA ARG A 67 2.516 -9.071 -11.097 1.00 62.11 H new ATOM 0 HB2 ARG A 67 5.441 -9.660 -10.352 1.00 11.10 H new ATOM 0 HB3 ARG A 67 4.264 -10.899 -10.741 1.00 11.10 H new ATOM 0 HG2 ARG A 67 5.103 -8.688 -12.674 1.00 60.34 H new ATOM 0 HG3 ARG A 67 5.828 -10.283 -12.643 1.00 60.34 H new ATOM 0 HD2 ARG A 67 3.684 -11.335 -13.228 1.00 71.32 H new ATOM 0 HD3 ARG A 67 2.845 -9.803 -13.088 1.00 71.32 H new ATOM 0 HE ARG A 67 3.566 -9.196 -15.210 1.00 11.51 H new ATOM 0 HH11 ARG A 67 5.481 -11.963 -14.158 1.00 23.51 H new ATOM 0 HH12 ARG A 67 6.203 -12.168 -15.758 1.00 23.51 H new ATOM 0 HH21 ARG A 67 4.487 -9.509 -17.169 1.00 74.31 H new ATOM 0 HH22 ARG A 67 5.653 -10.812 -17.419 1.00 74.31 H new ATOM 1007 N PRO A 68 2.020 -10.189 -8.793 1.00 53.13 N ATOM 1008 CA PRO A 68 1.617 -10.614 -7.436 1.00 21.03 C ATOM 1009 C PRO A 68 2.581 -11.680 -6.826 1.00 0.40 C ATOM 1010 O PRO A 68 2.578 -12.851 -7.220 1.00 74.12 O ATOM 1011 CB PRO A 68 0.196 -11.175 -7.664 1.00 40.52 C ATOM 1012 CG PRO A 68 0.218 -11.727 -9.060 1.00 14.34 C ATOM 1013 CD PRO A 68 1.218 -10.887 -9.842 1.00 53.33 C ATOM 0 HA PRO A 68 1.649 -9.800 -6.712 1.00 21.03 H new ATOM 0 HB2 PRO A 68 -0.044 -11.950 -6.936 1.00 40.52 H new ATOM 0 HB3 PRO A 68 -0.558 -10.395 -7.559 1.00 40.52 H new ATOM 0 HG2 PRO A 68 0.512 -12.777 -9.057 1.00 14.34 H new ATOM 0 HG3 PRO A 68 -0.772 -11.674 -9.514 1.00 14.34 H new ATOM 0 HD2 PRO A 68 1.849 -11.509 -10.476 1.00 53.33 H new ATOM 0 HD3 PRO A 68 0.714 -10.175 -10.495 1.00 53.33 H new ATOM 1021 N VAL A 69 3.448 -11.227 -5.913 1.00 43.12 N ATOM 1022 CA VAL A 69 4.299 -12.127 -5.083 1.00 24.44 C ATOM 1023 C VAL A 69 3.649 -12.384 -3.705 1.00 74.51 C ATOM 1024 O VAL A 69 3.909 -13.407 -3.060 1.00 42.22 O ATOM 1025 CB VAL A 69 5.766 -11.578 -4.919 1.00 43.52 C ATOM 1026 CG1 VAL A 69 6.523 -11.663 -6.266 1.00 2.53 C ATOM 1027 CG2 VAL A 69 5.786 -10.131 -4.348 1.00 23.22 C ATOM 0 H VAL A 69 3.589 -10.235 -5.720 1.00 43.12 H new ATOM 0 HA VAL A 69 4.371 -13.076 -5.614 1.00 24.44 H new ATOM 0 HB VAL A 69 6.280 -12.208 -4.192 1.00 43.52 H new ATOM 0 HG11 VAL A 69 7.536 -11.280 -6.139 1.00 2.53 H new ATOM 0 HG12 VAL A 69 6.566 -12.701 -6.594 1.00 2.53 H new ATOM 0 HG13 VAL A 69 6.001 -11.067 -7.015 1.00 2.53 H new ATOM 0 HG21 VAL A 69 6.817 -9.792 -4.251 1.00 23.22 H new ATOM 0 HG22 VAL A 69 5.247 -9.466 -5.023 1.00 23.22 H new ATOM 0 HG23 VAL A 69 5.307 -10.120 -3.369 1.00 23.22 H new ATOM 1037 N GLY A 70 2.800 -11.439 -3.277 1.00 40.52 N ATOM 1038 CA GLY A 70 1.981 -11.588 -2.072 1.00 5.23 C ATOM 1039 C GLY A 70 2.748 -11.400 -0.767 1.00 3.43 C ATOM 1040 O GLY A 70 3.895 -10.936 -0.751 1.00 24.40 O ATOM 0 H GLY A 70 2.664 -10.550 -3.759 1.00 40.52 H new ATOM 0 HA2 GLY A 70 1.166 -10.865 -2.109 1.00 5.23 H new ATOM 0 HA3 GLY A 70 1.528 -12.579 -2.075 1.00 5.23 H new ATOM 1044 N LEU A 71 2.086 -11.748 0.335 1.00 72.01 N ATOM 1045 CA LEU A 71 2.645 -11.666 1.692 1.00 33.22 C ATOM 1046 C LEU A 71 2.759 -13.092 2.291 1.00 34.20 C ATOM 1047 O LEU A 71 1.758 -13.820 2.315 1.00 14.24 O ATOM 1048 CB LEU A 71 1.727 -10.772 2.562 1.00 34.32 C ATOM 1049 CG LEU A 71 1.501 -9.314 2.033 1.00 71.32 C ATOM 1050 CD1 LEU A 71 0.379 -8.610 2.816 1.00 75.55 C ATOM 1051 CD2 LEU A 71 2.816 -8.489 2.069 1.00 52.10 C ATOM 0 H LEU A 71 1.129 -12.101 0.314 1.00 72.01 H new ATOM 0 HA LEU A 71 3.641 -11.225 1.665 1.00 33.22 H new ATOM 0 HB2 LEU A 71 0.757 -11.260 2.654 1.00 34.32 H new ATOM 0 HB3 LEU A 71 2.151 -10.714 3.564 1.00 34.32 H new ATOM 0 HG LEU A 71 1.187 -9.384 0.991 1.00 71.32 H new ATOM 0 HD11 LEU A 71 0.243 -7.600 2.429 1.00 75.55 H new ATOM 0 HD12 LEU A 71 -0.550 -9.170 2.704 1.00 75.55 H new ATOM 0 HD13 LEU A 71 0.647 -8.561 3.871 1.00 75.55 H new ATOM 0 HD21 LEU A 71 2.625 -7.483 1.696 1.00 52.10 H new ATOM 0 HD22 LEU A 71 3.182 -8.432 3.094 1.00 52.10 H new ATOM 0 HD23 LEU A 71 3.566 -8.972 1.442 1.00 52.10 H new ATOM 1063 N PRO A 72 3.978 -13.533 2.750 1.00 34.31 N ATOM 1064 CA PRO A 72 4.155 -14.844 3.444 1.00 44.32 C ATOM 1065 C PRO A 72 3.350 -14.946 4.773 1.00 75.43 C ATOM 1066 O PRO A 72 2.969 -16.044 5.194 1.00 51.55 O ATOM 1067 CB PRO A 72 5.690 -14.915 3.697 1.00 31.22 C ATOM 1068 CG PRO A 72 6.162 -13.493 3.613 1.00 62.04 C ATOM 1069 CD PRO A 72 5.280 -12.832 2.582 1.00 63.14 C ATOM 0 HA PRO A 72 3.776 -15.674 2.847 1.00 44.32 H new ATOM 0 HB2 PRO A 72 5.910 -15.347 4.673 1.00 31.22 H new ATOM 0 HB3 PRO A 72 6.184 -15.540 2.953 1.00 31.22 H new ATOM 0 HG2 PRO A 72 6.077 -12.994 4.579 1.00 62.04 H new ATOM 0 HG3 PRO A 72 7.211 -13.445 3.320 1.00 62.04 H new ATOM 0 HD2 PRO A 72 5.186 -11.761 2.759 1.00 63.14 H new ATOM 0 HD3 PRO A 72 5.677 -12.955 1.574 1.00 63.14 H new ATOM 1077 N ASP A 73 3.097 -13.792 5.421 1.00 13.13 N ATOM 1078 CA ASP A 73 2.337 -13.708 6.694 1.00 65.33 C ATOM 1079 C ASP A 73 1.228 -12.607 6.628 1.00 11.00 C ATOM 1080 O ASP A 73 1.225 -11.673 7.429 1.00 4.32 O ATOM 1081 CB ASP A 73 3.345 -13.474 7.867 1.00 20.22 C ATOM 1082 CG ASP A 73 4.210 -12.197 7.710 1.00 72.34 C ATOM 1083 OD1 ASP A 73 4.946 -12.085 6.707 1.00 52.55 O ATOM 1084 OD2 ASP A 73 4.154 -11.302 8.582 1.00 1.31 O ATOM 0 H ASP A 73 3.414 -12.885 5.078 1.00 13.13 H new ATOM 0 HA ASP A 73 1.811 -14.646 6.870 1.00 65.33 H new ATOM 0 HB2 ASP A 73 2.789 -13.411 8.803 1.00 20.22 H new ATOM 0 HB3 ASP A 73 4.003 -14.339 7.945 1.00 20.22 H new ATOM 1089 N PRO A 74 0.205 -12.749 5.717 1.00 45.02 N ATOM 1090 CA PRO A 74 -0.747 -11.641 5.391 1.00 32.13 C ATOM 1091 C PRO A 74 -1.685 -11.271 6.568 1.00 5.42 C ATOM 1092 O PRO A 74 -2.090 -10.109 6.721 1.00 35.42 O ATOM 1093 CB PRO A 74 -1.528 -12.206 4.181 1.00 44.13 C ATOM 1094 CG PRO A 74 -1.493 -13.696 4.364 1.00 65.42 C ATOM 1095 CD PRO A 74 -0.144 -14.003 4.985 1.00 32.23 C ATOM 0 HA PRO A 74 -0.234 -10.703 5.180 1.00 32.13 H new ATOM 0 HB2 PRO A 74 -2.552 -11.834 4.162 1.00 44.13 H new ATOM 0 HB3 PRO A 74 -1.065 -11.912 3.239 1.00 44.13 H new ATOM 0 HG2 PRO A 74 -2.306 -14.030 5.009 1.00 65.42 H new ATOM 0 HG3 PRO A 74 -1.611 -14.210 3.410 1.00 65.42 H new ATOM 0 HD2 PRO A 74 -0.199 -14.858 5.659 1.00 32.23 H new ATOM 0 HD3 PRO A 74 0.600 -14.243 4.226 1.00 32.23 H new ATOM 1103 N ASP A 75 -2.007 -12.286 7.393 1.00 73.11 N ATOM 1104 CA ASP A 75 -2.803 -12.133 8.628 1.00 50.35 C ATOM 1105 C ASP A 75 -2.085 -11.219 9.644 1.00 75.44 C ATOM 1106 O ASP A 75 -2.724 -10.432 10.349 1.00 3.43 O ATOM 1107 CB ASP A 75 -3.055 -13.527 9.255 1.00 72.40 C ATOM 1108 CG ASP A 75 -3.732 -14.501 8.273 1.00 73.33 C ATOM 1109 OD1 ASP A 75 -3.017 -15.122 7.450 1.00 65.14 O ATOM 1110 OD2 ASP A 75 -4.976 -14.631 8.307 1.00 42.50 O ATOM 0 H ASP A 75 -1.718 -13.249 7.219 1.00 73.11 H new ATOM 0 HA ASP A 75 -3.755 -11.668 8.371 1.00 50.35 H new ATOM 0 HB2 ASP A 75 -2.106 -13.950 9.586 1.00 72.40 H new ATOM 0 HB3 ASP A 75 -3.680 -13.416 10.141 1.00 72.40 H new ATOM 1115 N LYS A 76 -0.746 -11.343 9.700 1.00 73.23 N ATOM 1116 CA LYS A 76 0.091 -10.486 10.551 1.00 33.54 C ATOM 1117 C LYS A 76 0.170 -9.064 9.979 1.00 55.31 C ATOM 1118 O LYS A 76 -0.193 -8.123 10.650 1.00 62.22 O ATOM 1119 CB LYS A 76 1.531 -11.029 10.675 1.00 22.01 C ATOM 1120 CG LYS A 76 1.686 -12.381 11.385 1.00 62.34 C ATOM 1121 CD LYS A 76 3.170 -12.728 11.712 1.00 73.51 C ATOM 1122 CE LYS A 76 3.847 -11.753 12.717 1.00 72.40 C ATOM 1123 NZ LYS A 76 4.122 -10.394 12.158 1.00 65.13 N ATOM 0 H LYS A 76 -0.221 -12.033 9.162 1.00 73.23 H new ATOM 0 HA LYS A 76 -0.377 -10.477 11.535 1.00 33.54 H new ATOM 0 HB2 LYS A 76 1.951 -11.118 9.673 1.00 22.01 H new ATOM 0 HB3 LYS A 76 2.131 -10.291 11.208 1.00 22.01 H new ATOM 0 HG2 LYS A 76 1.109 -12.368 12.310 1.00 62.34 H new ATOM 0 HG3 LYS A 76 1.265 -13.166 10.757 1.00 62.34 H new ATOM 0 HD2 LYS A 76 3.214 -13.739 12.118 1.00 73.51 H new ATOM 0 HD3 LYS A 76 3.743 -12.732 10.785 1.00 73.51 H new ATOM 0 HE2 LYS A 76 3.208 -11.651 13.594 1.00 72.40 H new ATOM 0 HE3 LYS A 76 4.786 -12.191 13.056 1.00 72.40 H new ATOM 0 HZ1 LYS A 76 5.057 -10.070 12.478 1.00 65.13 H new ATOM 0 HZ2 LYS A 76 4.107 -10.437 11.119 1.00 65.13 H new ATOM 0 HZ3 LYS A 76 3.393 -9.729 12.488 1.00 65.13 H new ATOM 1137 N VAL A 77 0.585 -8.955 8.702 1.00 50.23 N ATOM 1138 CA VAL A 77 0.975 -7.671 8.049 1.00 13.40 C ATOM 1139 C VAL A 77 -0.107 -6.568 8.195 1.00 41.31 C ATOM 1140 O VAL A 77 0.217 -5.401 8.419 1.00 43.11 O ATOM 1141 CB VAL A 77 1.305 -7.923 6.529 1.00 12.22 C ATOM 1142 CG1 VAL A 77 1.654 -6.618 5.769 1.00 21.12 C ATOM 1143 CG2 VAL A 77 2.447 -8.958 6.401 1.00 73.21 C ATOM 0 H VAL A 77 0.663 -9.760 8.080 1.00 50.23 H new ATOM 0 HA VAL A 77 1.863 -7.304 8.563 1.00 13.40 H new ATOM 0 HB VAL A 77 0.404 -8.320 6.061 1.00 12.22 H new ATOM 0 HG11 VAL A 77 1.873 -6.851 4.727 1.00 21.12 H new ATOM 0 HG12 VAL A 77 0.809 -5.931 5.818 1.00 21.12 H new ATOM 0 HG13 VAL A 77 2.527 -6.152 6.227 1.00 21.12 H new ATOM 0 HG21 VAL A 77 2.669 -9.126 5.347 1.00 73.21 H new ATOM 0 HG22 VAL A 77 3.338 -8.581 6.904 1.00 73.21 H new ATOM 0 HG23 VAL A 77 2.140 -9.897 6.862 1.00 73.21 H new ATOM 1153 N GLN A 78 -1.380 -6.976 8.104 1.00 10.23 N ATOM 1154 CA GLN A 78 -2.540 -6.090 8.345 1.00 62.33 C ATOM 1155 C GLN A 78 -2.568 -5.548 9.815 1.00 44.32 C ATOM 1156 O GLN A 78 -2.730 -4.340 10.047 1.00 61.21 O ATOM 1157 CB GLN A 78 -3.833 -6.877 8.000 1.00 53.22 C ATOM 1158 CG GLN A 78 -5.147 -6.086 8.156 1.00 73.33 C ATOM 1159 CD GLN A 78 -6.385 -6.835 7.643 1.00 32.21 C ATOM 1160 OE1 GLN A 78 -6.314 -7.629 6.716 1.00 71.50 O ATOM 1161 NE2 GLN A 78 -7.528 -6.585 8.239 1.00 2.40 N ATOM 0 H GLN A 78 -1.641 -7.932 7.861 1.00 10.23 H new ATOM 0 HA GLN A 78 -2.463 -5.211 7.705 1.00 62.33 H new ATOM 0 HB2 GLN A 78 -3.760 -7.230 6.971 1.00 53.22 H new ATOM 0 HB3 GLN A 78 -3.882 -7.760 8.637 1.00 53.22 H new ATOM 0 HG2 GLN A 78 -5.291 -5.843 9.209 1.00 73.33 H new ATOM 0 HG3 GLN A 78 -5.057 -5.141 7.620 1.00 73.33 H new ATOM 0 HE21 GLN A 78 -7.566 -5.919 9.011 1.00 2.40 H new ATOM 0 HE22 GLN A 78 -8.378 -7.057 7.930 1.00 2.40 H new ATOM 1170 N ARG A 79 -2.375 -6.458 10.789 1.00 1.43 N ATOM 1171 CA ARG A 79 -2.370 -6.132 12.246 1.00 52.42 C ATOM 1172 C ARG A 79 -1.107 -5.326 12.673 1.00 51.22 C ATOM 1173 O ARG A 79 -1.217 -4.316 13.384 1.00 62.03 O ATOM 1174 CB ARG A 79 -2.467 -7.438 13.080 1.00 20.02 C ATOM 1175 CG ARG A 79 -3.740 -8.269 12.825 1.00 11.43 C ATOM 1176 CD ARG A 79 -5.036 -7.498 13.140 1.00 20.34 C ATOM 1177 NE ARG A 79 -6.234 -8.342 12.935 1.00 41.32 N ATOM 1178 CZ ARG A 79 -7.214 -8.513 13.800 1.00 1.54 C ATOM 1179 NH1 ARG A 79 -7.243 -7.869 14.923 1.00 23.02 N ATOM 1180 NH2 ARG A 79 -8.170 -9.326 13.517 1.00 12.43 N ATOM 0 H ARG A 79 -2.217 -7.447 10.596 1.00 1.43 H new ATOM 0 HA ARG A 79 -3.238 -5.501 12.438 1.00 52.42 H new ATOM 0 HB2 ARG A 79 -1.596 -8.057 12.865 1.00 20.02 H new ATOM 0 HB3 ARG A 79 -2.422 -7.182 14.139 1.00 20.02 H new ATOM 0 HG2 ARG A 79 -3.757 -8.586 11.782 1.00 11.43 H new ATOM 0 HG3 ARG A 79 -3.705 -9.173 13.433 1.00 11.43 H new ATOM 0 HD2 ARG A 79 -5.010 -7.147 14.171 1.00 20.34 H new ATOM 0 HD3 ARG A 79 -5.099 -6.615 12.504 1.00 20.34 H new ATOM 0 HE ARG A 79 -6.308 -8.835 12.045 1.00 41.32 H new ATOM 0 HH11 ARG A 79 -6.497 -7.213 15.154 1.00 23.02 H new ATOM 0 HH12 ARG A 79 -8.012 -8.018 15.577 1.00 23.02 H new ATOM 0 HH21 ARG A 79 -8.165 -9.831 12.631 1.00 12.43 H new ATOM 0 HH22 ARG A 79 -8.933 -9.466 14.179 1.00 12.43 H new ATOM 1194 N ASP A 80 0.083 -5.805 12.250 1.00 21.01 N ATOM 1195 CA ASP A 80 1.386 -5.129 12.465 1.00 3.01 C ATOM 1196 C ASP A 80 1.371 -3.685 11.916 1.00 61.01 C ATOM 1197 O ASP A 80 1.969 -2.778 12.510 1.00 1.11 O ATOM 1198 CB ASP A 80 2.531 -5.938 11.783 1.00 52.22 C ATOM 1199 CG ASP A 80 2.897 -7.237 12.530 1.00 60.15 C ATOM 1200 OD1 ASP A 80 2.095 -8.190 12.526 1.00 1.31 O ATOM 1201 OD2 ASP A 80 3.996 -7.313 13.127 1.00 73.12 O ATOM 0 H ASP A 80 0.169 -6.685 11.742 1.00 21.01 H new ATOM 0 HA ASP A 80 1.562 -5.083 13.540 1.00 3.01 H new ATOM 0 HB2 ASP A 80 2.233 -6.186 10.764 1.00 52.22 H new ATOM 0 HB3 ASP A 80 3.417 -5.308 11.711 1.00 52.22 H new ATOM 1206 N LEU A 81 0.683 -3.497 10.774 1.00 24.14 N ATOM 1207 CA LEU A 81 0.498 -2.174 10.145 1.00 61.12 C ATOM 1208 C LEU A 81 -0.385 -1.249 11.016 1.00 14.43 C ATOM 1209 O LEU A 81 -0.090 -0.063 11.163 1.00 62.22 O ATOM 1210 CB LEU A 81 -0.114 -2.324 8.730 1.00 60.34 C ATOM 1211 CG LEU A 81 -0.217 -1.014 7.881 1.00 13.13 C ATOM 1212 CD1 LEU A 81 1.161 -0.336 7.716 1.00 63.01 C ATOM 1213 CD2 LEU A 81 -0.865 -1.297 6.510 1.00 34.23 C ATOM 0 H LEU A 81 0.239 -4.258 10.260 1.00 24.14 H new ATOM 0 HA LEU A 81 1.481 -1.712 10.057 1.00 61.12 H new ATOM 0 HB2 LEU A 81 0.482 -3.047 8.174 1.00 60.34 H new ATOM 0 HB3 LEU A 81 -1.114 -2.746 8.832 1.00 60.34 H new ATOM 0 HG LEU A 81 -0.859 -0.319 8.422 1.00 13.13 H new ATOM 0 HD11 LEU A 81 1.051 0.571 7.121 1.00 63.01 H new ATOM 0 HD12 LEU A 81 1.560 -0.080 8.697 1.00 63.01 H new ATOM 0 HD13 LEU A 81 1.845 -1.020 7.213 1.00 63.01 H new ATOM 0 HD21 LEU A 81 -0.926 -0.371 5.938 1.00 34.23 H new ATOM 0 HD22 LEU A 81 -0.260 -2.022 5.964 1.00 34.23 H new ATOM 0 HD23 LEU A 81 -1.867 -1.699 6.657 1.00 34.23 H new ATOM 1225 N ALA A 82 -1.463 -1.812 11.587 1.00 13.24 N ATOM 1226 CA ALA A 82 -2.374 -1.079 12.502 1.00 63.03 C ATOM 1227 C ALA A 82 -1.665 -0.660 13.824 1.00 54.10 C ATOM 1228 O ALA A 82 -1.969 0.399 14.393 1.00 12.15 O ATOM 1229 CB ALA A 82 -3.619 -1.935 12.795 1.00 43.34 C ATOM 0 H ALA A 82 -1.733 -2.784 11.433 1.00 13.24 H new ATOM 0 HA ALA A 82 -2.680 -0.159 12.004 1.00 63.03 H new ATOM 0 HB1 ALA A 82 -4.284 -1.392 13.467 1.00 43.34 H new ATOM 0 HB2 ALA A 82 -4.141 -2.149 11.862 1.00 43.34 H new ATOM 0 HB3 ALA A 82 -3.315 -2.871 13.264 1.00 43.34 H new ATOM 1235 N SER A 83 -0.711 -1.500 14.289 1.00 61.13 N ATOM 1236 CA SER A 83 0.092 -1.232 15.515 1.00 54.02 C ATOM 1237 C SER A 83 1.083 -0.064 15.298 1.00 75.23 C ATOM 1238 O SER A 83 1.104 0.904 16.075 1.00 10.34 O ATOM 1239 CB SER A 83 0.870 -2.502 15.939 1.00 4.10 C ATOM 1240 OG SER A 83 1.694 -2.257 17.075 1.00 2.25 O ATOM 0 H SER A 83 -0.474 -2.380 13.831 1.00 61.13 H new ATOM 0 HA SER A 83 -0.602 -0.950 16.307 1.00 54.02 H new ATOM 0 HB2 SER A 83 0.166 -3.302 16.166 1.00 4.10 H new ATOM 0 HB3 SER A 83 1.487 -2.846 15.109 1.00 4.10 H new ATOM 0 HG SER A 83 2.170 -3.079 17.317 1.00 2.25 H new ATOM 1246 N GLN A 84 1.899 -0.162 14.225 1.00 51.02 N ATOM 1247 CA GLN A 84 2.861 0.903 13.842 1.00 11.13 C ATOM 1248 C GLN A 84 2.131 2.210 13.431 1.00 33.34 C ATOM 1249 O GLN A 84 2.681 3.291 13.570 1.00 34.45 O ATOM 1250 CB GLN A 84 3.850 0.416 12.744 1.00 55.44 C ATOM 1251 CG GLN A 84 3.216 0.047 11.394 1.00 33.13 C ATOM 1252 CD GLN A 84 4.180 -0.674 10.437 1.00 63.31 C ATOM 1253 OE1 GLN A 84 4.885 -0.056 9.653 1.00 14.12 O ATOM 1254 NE2 GLN A 84 4.221 -1.995 10.503 1.00 34.51 N ATOM 0 H GLN A 84 1.912 -0.971 13.604 1.00 51.02 H new ATOM 0 HA GLN A 84 3.458 1.136 14.724 1.00 11.13 H new ATOM 0 HB2 GLN A 84 4.591 1.198 12.575 1.00 55.44 H new ATOM 0 HB3 GLN A 84 4.386 -0.454 13.123 1.00 55.44 H new ATOM 0 HG2 GLN A 84 2.349 -0.590 11.571 1.00 33.13 H new ATOM 0 HG3 GLN A 84 2.851 0.955 10.913 1.00 33.13 H new ATOM 0 HE21 GLN A 84 3.624 -2.491 11.165 1.00 34.51 H new ATOM 0 HE22 GLN A 84 4.850 -2.517 9.892 1.00 34.51 H new ATOM 1263 N CYS A 85 0.891 2.090 12.917 1.00 40.32 N ATOM 1264 CA CYS A 85 0.032 3.258 12.569 1.00 41.15 C ATOM 1265 C CYS A 85 -0.290 4.149 13.798 1.00 62.00 C ATOM 1266 O CYS A 85 -0.491 5.359 13.668 1.00 52.32 O ATOM 1267 CB CYS A 85 -1.275 2.776 11.903 1.00 12.32 C ATOM 1268 SG CYS A 85 -2.229 4.085 11.123 1.00 55.13 S ATOM 0 H CYS A 85 0.451 1.189 12.729 1.00 40.32 H new ATOM 0 HA CYS A 85 0.596 3.873 11.868 1.00 41.15 H new ATOM 0 HB2 CYS A 85 -1.032 2.023 11.154 1.00 12.32 H new ATOM 0 HB3 CYS A 85 -1.895 2.288 12.655 1.00 12.32 H new ATOM 0 HG CYS A 85 -2.717 3.655 9.998 1.00 55.13 H new ATOM 1274 N ALA A 86 -0.346 3.522 14.984 1.00 54.10 N ATOM 1275 CA ALA A 86 -0.567 4.229 16.268 1.00 23.23 C ATOM 1276 C ALA A 86 0.741 4.811 16.883 1.00 3.53 C ATOM 1277 O ALA A 86 0.688 5.767 17.661 1.00 63.34 O ATOM 1278 CB ALA A 86 -1.247 3.271 17.259 1.00 74.05 C ATOM 0 H ALA A 86 -0.240 2.513 15.086 1.00 54.10 H new ATOM 0 HA ALA A 86 -1.210 5.085 16.064 1.00 23.23 H new ATOM 0 HB1 ALA A 86 -1.413 3.785 18.206 1.00 74.05 H new ATOM 0 HB2 ALA A 86 -2.204 2.944 16.851 1.00 74.05 H new ATOM 0 HB3 ALA A 86 -0.608 2.404 17.424 1.00 74.05 H new ATOM 1284 N SER A 87 1.907 4.214 16.550 1.00 1.30 N ATOM 1285 CA SER A 87 3.223 4.574 17.175 1.00 33.51 C ATOM 1286 C SER A 87 4.080 5.547 16.310 1.00 75.10 C ATOM 1287 O SER A 87 4.815 6.385 16.847 1.00 53.02 O ATOM 1288 CB SER A 87 4.025 3.277 17.454 1.00 61.21 C ATOM 1289 OG SER A 87 5.315 3.545 17.995 1.00 60.21 O ATOM 0 H SER A 87 1.975 3.476 15.850 1.00 1.30 H new ATOM 0 HA SER A 87 3.000 5.103 18.101 1.00 33.51 H new ATOM 0 HB2 SER A 87 3.466 2.649 18.148 1.00 61.21 H new ATOM 0 HB3 SER A 87 4.132 2.712 16.528 1.00 61.21 H new ATOM 0 HG SER A 87 5.784 2.700 18.156 1.00 60.21 H new ATOM 1295 N MET A 88 3.988 5.415 14.977 1.00 75.43 N ATOM 1296 CA MET A 88 4.823 6.178 14.005 1.00 54.24 C ATOM 1297 C MET A 88 4.176 7.533 13.632 1.00 64.10 C ATOM 1298 O MET A 88 4.877 8.530 13.420 1.00 63.42 O ATOM 1299 CB MET A 88 5.040 5.329 12.712 1.00 61.40 C ATOM 1300 CG MET A 88 5.834 4.022 12.916 1.00 64.41 C ATOM 1301 SD MET A 88 7.629 4.261 12.927 1.00 65.13 S ATOM 1302 CE MET A 88 7.977 4.522 11.179 1.00 13.15 C ATOM 0 H MET A 88 3.332 4.775 14.530 1.00 75.43 H new ATOM 0 HA MET A 88 5.782 6.383 14.482 1.00 54.24 H new ATOM 0 HB2 MET A 88 4.066 5.083 12.290 1.00 61.40 H new ATOM 0 HB3 MET A 88 5.561 5.942 11.976 1.00 61.40 H new ATOM 0 HG2 MET A 88 5.531 3.565 13.858 1.00 64.41 H new ATOM 0 HG3 MET A 88 5.574 3.321 12.123 1.00 64.41 H new ATOM 0 HE1 MET A 88 9.055 4.505 11.016 1.00 13.15 H new ATOM 0 HE2 MET A 88 7.509 3.731 10.593 1.00 13.15 H new ATOM 0 HE3 MET A 88 7.579 5.488 10.869 1.00 13.15 H new ATOM 1312 N LEU A 89 2.834 7.548 13.546 1.00 22.32 N ATOM 1313 CA LEU A 89 2.060 8.721 13.062 1.00 21.35 C ATOM 1314 C LEU A 89 1.567 9.587 14.244 1.00 62.21 C ATOM 1315 O LEU A 89 1.297 9.051 15.322 1.00 75.53 O ATOM 1316 CB LEU A 89 0.856 8.234 12.213 1.00 4.44 C ATOM 1317 CG LEU A 89 1.190 7.202 11.083 1.00 41.13 C ATOM 1318 CD1 LEU A 89 -0.069 6.820 10.280 1.00 52.24 C ATOM 1319 CD2 LEU A 89 2.308 7.716 10.148 1.00 63.53 C ATOM 0 H LEU A 89 2.250 6.753 13.808 1.00 22.32 H new ATOM 0 HA LEU A 89 2.713 9.338 12.445 1.00 21.35 H new ATOM 0 HB2 LEU A 89 0.122 7.786 12.882 1.00 4.44 H new ATOM 0 HB3 LEU A 89 0.383 9.103 11.756 1.00 4.44 H new ATOM 0 HG LEU A 89 1.561 6.302 11.573 1.00 41.13 H new ATOM 0 HD11 LEU A 89 0.198 6.103 9.504 1.00 52.24 H new ATOM 0 HD12 LEU A 89 -0.806 6.374 10.948 1.00 52.24 H new ATOM 0 HD13 LEU A 89 -0.491 7.713 9.819 1.00 52.24 H new ATOM 0 HD21 LEU A 89 2.510 6.971 9.378 1.00 63.53 H new ATOM 0 HD22 LEU A 89 1.990 8.647 9.678 1.00 63.53 H new ATOM 0 HD23 LEU A 89 3.214 7.893 10.727 1.00 63.53 H new ATOM 1331 N ASN A 90 1.454 10.920 14.009 1.00 33.50 N ATOM 1332 CA ASN A 90 0.985 11.937 15.003 1.00 2.45 C ATOM 1333 C ASN A 90 -0.235 11.451 15.829 1.00 53.20 C ATOM 1334 O ASN A 90 -0.230 11.505 17.064 1.00 14.42 O ATOM 1335 CB ASN A 90 0.635 13.257 14.259 1.00 44.02 C ATOM 1336 CG ASN A 90 0.087 14.384 15.144 1.00 15.53 C ATOM 1337 OD1 ASN A 90 0.419 14.504 16.317 1.00 53.34 O ATOM 1338 ND2 ASN A 90 -0.757 15.230 14.583 1.00 3.22 N ATOM 0 H ASN A 90 1.690 11.332 13.106 1.00 33.50 H new ATOM 0 HA ASN A 90 1.796 12.104 15.712 1.00 2.45 H new ATOM 0 HB2 ASN A 90 1.531 13.618 13.753 1.00 44.02 H new ATOM 0 HB3 ASN A 90 -0.100 13.035 13.486 1.00 44.02 H new ATOM 0 HD21 ASN A 90 -1.145 16.000 15.128 1.00 3.22 H new ATOM 0 HD22 ASN A 90 -1.021 15.113 13.605 1.00 3.22 H new ATOM 1345 N VAL A 91 -1.268 10.974 15.125 1.00 21.32 N ATOM 1346 CA VAL A 91 -2.487 10.424 15.755 1.00 30.41 C ATOM 1347 C VAL A 91 -2.575 8.899 15.529 1.00 12.34 C ATOM 1348 O VAL A 91 -1.984 8.358 14.580 1.00 23.30 O ATOM 1349 CB VAL A 91 -3.786 11.120 15.196 1.00 12.34 C ATOM 1350 CG1 VAL A 91 -3.756 12.645 15.465 1.00 14.13 C ATOM 1351 CG2 VAL A 91 -3.983 10.819 13.684 1.00 44.40 C ATOM 0 H VAL A 91 -1.289 10.956 14.105 1.00 21.32 H new ATOM 0 HA VAL A 91 -2.422 10.625 16.824 1.00 30.41 H new ATOM 0 HB VAL A 91 -4.642 10.703 15.727 1.00 12.34 H new ATOM 0 HG11 VAL A 91 -4.663 13.102 15.070 1.00 14.13 H new ATOM 0 HG12 VAL A 91 -3.698 12.824 16.539 1.00 14.13 H new ATOM 0 HG13 VAL A 91 -2.886 13.084 14.976 1.00 14.13 H new ATOM 0 HG21 VAL A 91 -4.887 11.313 13.329 1.00 44.40 H new ATOM 0 HG22 VAL A 91 -3.124 11.189 13.124 1.00 44.40 H new ATOM 0 HG23 VAL A 91 -4.076 9.743 13.536 1.00 44.40 H new ATOM 1361 N ALA A 92 -3.311 8.214 16.417 1.00 32.42 N ATOM 1362 CA ALA A 92 -3.667 6.802 16.225 1.00 52.33 C ATOM 1363 C ALA A 92 -4.741 6.683 15.116 1.00 12.34 C ATOM 1364 O ALA A 92 -5.842 7.229 15.242 1.00 10.22 O ATOM 1365 CB ALA A 92 -4.143 6.178 17.548 1.00 3.33 C ATOM 0 H ALA A 92 -3.673 8.619 17.280 1.00 32.42 H new ATOM 0 HA ALA A 92 -2.785 6.247 15.907 1.00 52.33 H new ATOM 0 HB1 ALA A 92 -4.402 5.132 17.384 1.00 3.33 H new ATOM 0 HB2 ALA A 92 -3.346 6.243 18.289 1.00 3.33 H new ATOM 0 HB3 ALA A 92 -5.019 6.716 17.910 1.00 3.33 H new ATOM 1371 N LEU A 93 -4.385 5.992 14.029 1.00 5.34 N ATOM 1372 CA LEU A 93 -5.262 5.812 12.849 1.00 21.32 C ATOM 1373 C LEU A 93 -5.723 4.353 12.727 1.00 42.44 C ATOM 1374 O LEU A 93 -4.967 3.420 13.012 1.00 44.35 O ATOM 1375 CB LEU A 93 -4.543 6.277 11.543 1.00 22.44 C ATOM 1376 CG LEU A 93 -4.569 7.812 11.255 1.00 51.44 C ATOM 1377 CD1 LEU A 93 -3.602 8.195 10.110 1.00 62.53 C ATOM 1378 CD2 LEU A 93 -6.009 8.281 10.930 1.00 34.42 C ATOM 0 H LEU A 93 -3.477 5.536 13.934 1.00 5.34 H new ATOM 0 HA LEU A 93 -6.145 6.436 12.989 1.00 21.32 H new ATOM 0 HB2 LEU A 93 -3.503 5.954 11.590 1.00 22.44 H new ATOM 0 HB3 LEU A 93 -4.999 5.761 10.698 1.00 22.44 H new ATOM 0 HG LEU A 93 -4.230 8.321 12.157 1.00 51.44 H new ATOM 0 HD11 LEU A 93 -3.648 9.271 9.939 1.00 62.53 H new ATOM 0 HD12 LEU A 93 -2.585 7.914 10.384 1.00 62.53 H new ATOM 0 HD13 LEU A 93 -3.891 7.670 9.199 1.00 62.53 H new ATOM 0 HD21 LEU A 93 -6.007 9.353 10.732 1.00 34.42 H new ATOM 0 HD22 LEU A 93 -6.375 7.751 10.051 1.00 34.42 H new ATOM 0 HD23 LEU A 93 -6.661 8.070 11.778 1.00 34.42 H new ATOM 1390 N ARG A 94 -6.984 4.186 12.303 1.00 11.21 N ATOM 1391 CA ARG A 94 -7.557 2.882 11.902 1.00 44.22 C ATOM 1392 C ARG A 94 -7.926 2.939 10.393 1.00 63.20 C ATOM 1393 O ARG A 94 -9.078 3.249 10.050 1.00 74.22 O ATOM 1394 CB ARG A 94 -8.812 2.542 12.764 1.00 72.35 C ATOM 1395 CG ARG A 94 -8.541 2.381 14.278 1.00 72.12 C ATOM 1396 CD ARG A 94 -9.835 2.175 15.091 1.00 22.20 C ATOM 1397 NE ARG A 94 -9.580 2.046 16.539 1.00 73.51 N ATOM 1398 CZ ARG A 94 -10.508 1.933 17.469 1.00 40.22 C ATOM 1399 NH1 ARG A 94 -11.774 1.979 17.176 1.00 5.31 N ATOM 1400 NH2 ARG A 94 -10.150 1.791 18.695 1.00 2.10 N ATOM 0 H ARG A 94 -7.646 4.958 12.226 1.00 11.21 H new ATOM 0 HA ARG A 94 -6.821 2.095 12.067 1.00 44.22 H new ATOM 0 HB2 ARG A 94 -9.554 3.328 12.625 1.00 72.35 H new ATOM 0 HB3 ARG A 94 -9.252 1.618 12.389 1.00 72.35 H new ATOM 0 HG2 ARG A 94 -7.877 1.531 14.437 1.00 72.12 H new ATOM 0 HG3 ARG A 94 -8.021 3.265 14.647 1.00 72.12 H new ATOM 0 HD2 ARG A 94 -10.507 3.016 14.917 1.00 22.20 H new ATOM 0 HD3 ARG A 94 -10.345 1.280 14.734 1.00 22.20 H new ATOM 0 HE ARG A 94 -8.607 2.044 16.845 1.00 73.51 H new ATOM 0 HH11 ARG A 94 -12.069 2.105 16.208 1.00 5.31 H new ATOM 0 HH12 ARG A 94 -12.472 1.889 17.914 1.00 5.31 H new ATOM 0 HH21 ARG A 94 -9.160 1.767 18.938 1.00 2.10 H new ATOM 0 HH22 ARG A 94 -10.856 1.702 19.426 1.00 2.10 H new ATOM 1414 N PRO A 95 -6.936 2.723 9.458 1.00 63.24 N ATOM 1415 CA PRO A 95 -7.205 2.730 7.997 1.00 71.50 C ATOM 1416 C PRO A 95 -8.089 1.553 7.534 1.00 11.00 C ATOM 1417 O PRO A 95 -8.229 0.537 8.232 1.00 20.01 O ATOM 1418 CB PRO A 95 -5.784 2.657 7.355 1.00 72.42 C ATOM 1419 CG PRO A 95 -4.852 3.039 8.464 1.00 63.44 C ATOM 1420 CD PRO A 95 -5.492 2.494 9.718 1.00 72.41 C ATOM 0 HA PRO A 95 -7.769 3.615 7.701 1.00 71.50 H new ATOM 0 HB2 PRO A 95 -5.568 1.656 6.982 1.00 72.42 H new ATOM 0 HB3 PRO A 95 -5.695 3.339 6.509 1.00 72.42 H new ATOM 0 HG2 PRO A 95 -3.860 2.614 8.310 1.00 63.44 H new ATOM 0 HG3 PRO A 95 -4.729 4.121 8.522 1.00 63.44 H new ATOM 0 HD2 PRO A 95 -5.267 1.437 9.864 1.00 72.41 H new ATOM 0 HD3 PRO A 95 -5.151 3.019 10.610 1.00 72.41 H new ATOM 1428 N GLU A 96 -8.674 1.709 6.342 1.00 24.32 N ATOM 1429 CA GLU A 96 -9.491 0.658 5.711 1.00 65.21 C ATOM 1430 C GLU A 96 -8.555 -0.414 5.108 1.00 41.03 C ATOM 1431 O GLU A 96 -7.621 -0.079 4.374 1.00 61.10 O ATOM 1432 CB GLU A 96 -10.414 1.283 4.632 1.00 61.22 C ATOM 1433 CG GLU A 96 -11.325 0.286 3.882 1.00 63.43 C ATOM 1434 CD GLU A 96 -12.369 -0.411 4.776 1.00 44.23 C ATOM 1435 OE1 GLU A 96 -13.484 0.137 4.935 1.00 31.21 O ATOM 1436 OE2 GLU A 96 -12.088 -1.508 5.304 1.00 55.14 O ATOM 0 H GLU A 96 -8.598 2.561 5.787 1.00 24.32 H new ATOM 0 HA GLU A 96 -10.130 0.180 6.454 1.00 65.21 H new ATOM 0 HB2 GLU A 96 -11.042 2.036 5.107 1.00 61.22 H new ATOM 0 HB3 GLU A 96 -9.792 1.801 3.902 1.00 61.22 H new ATOM 0 HG2 GLU A 96 -11.843 0.815 3.082 1.00 63.43 H new ATOM 0 HG3 GLU A 96 -10.702 -0.474 3.410 1.00 63.43 H new ATOM 1443 N MET A 97 -8.784 -1.697 5.448 1.00 11.51 N ATOM 1444 CA MET A 97 -7.884 -2.816 5.052 1.00 14.13 C ATOM 1445 C MET A 97 -8.688 -4.038 4.558 1.00 61.45 C ATOM 1446 O MET A 97 -9.744 -4.368 5.114 1.00 51.52 O ATOM 1447 CB MET A 97 -6.966 -3.237 6.239 1.00 4.24 C ATOM 1448 CG MET A 97 -6.038 -2.137 6.773 1.00 71.34 C ATOM 1449 SD MET A 97 -5.049 -2.686 8.179 1.00 35.01 S ATOM 1450 CE MET A 97 -4.191 -1.182 8.639 1.00 4.54 C ATOM 0 H MET A 97 -9.589 -1.993 6.000 1.00 11.51 H new ATOM 0 HA MET A 97 -7.263 -2.456 4.232 1.00 14.13 H new ATOM 0 HB2 MET A 97 -7.595 -3.587 7.057 1.00 4.24 H new ATOM 0 HB3 MET A 97 -6.355 -4.083 5.922 1.00 4.24 H new ATOM 0 HG2 MET A 97 -5.375 -1.807 5.974 1.00 71.34 H new ATOM 0 HG3 MET A 97 -6.635 -1.274 7.068 1.00 71.34 H new ATOM 0 HE1 MET A 97 -3.136 -1.401 8.804 1.00 4.54 H new ATOM 0 HE2 MET A 97 -4.288 -0.448 7.839 1.00 4.54 H new ATOM 0 HE3 MET A 97 -4.626 -0.780 9.554 1.00 4.54 H new ATOM 1460 N GLN A 98 -8.178 -4.693 3.497 1.00 31.33 N ATOM 1461 CA GLN A 98 -8.738 -5.961 2.971 1.00 34.42 C ATOM 1462 C GLN A 98 -7.611 -6.884 2.448 1.00 71.12 C ATOM 1463 O GLN A 98 -6.570 -6.415 2.018 1.00 73.23 O ATOM 1464 CB GLN A 98 -9.751 -5.673 1.837 1.00 5.32 C ATOM 1465 CG GLN A 98 -10.527 -6.914 1.342 1.00 24.31 C ATOM 1466 CD GLN A 98 -11.320 -6.681 0.058 1.00 20.23 C ATOM 1467 OE1 GLN A 98 -11.777 -5.580 -0.225 1.00 10.43 O ATOM 1468 NE2 GLN A 98 -11.490 -7.722 -0.726 1.00 52.12 N ATOM 0 H GLN A 98 -7.366 -4.361 2.978 1.00 31.33 H new ATOM 0 HA GLN A 98 -9.252 -6.468 3.787 1.00 34.42 H new ATOM 0 HB2 GLN A 98 -10.466 -4.928 2.186 1.00 5.32 H new ATOM 0 HB3 GLN A 98 -9.218 -5.233 0.994 1.00 5.32 H new ATOM 0 HG2 GLN A 98 -9.822 -7.729 1.178 1.00 24.31 H new ATOM 0 HG3 GLN A 98 -11.212 -7.238 2.126 1.00 24.31 H new ATOM 0 HE21 GLN A 98 -11.098 -8.627 -0.465 1.00 52.12 H new ATOM 0 HE22 GLN A 98 -12.014 -7.625 -1.596 1.00 52.12 H new ATOM 1477 N LEU A 99 -7.838 -8.203 2.488 1.00 61.11 N ATOM 1478 CA LEU A 99 -6.891 -9.219 1.967 1.00 21.13 C ATOM 1479 C LEU A 99 -7.507 -9.976 0.768 1.00 40.34 C ATOM 1480 O LEU A 99 -8.663 -10.411 0.830 1.00 73.53 O ATOM 1481 CB LEU A 99 -6.509 -10.202 3.113 1.00 53.42 C ATOM 1482 CG LEU A 99 -5.506 -9.650 4.182 1.00 73.25 C ATOM 1483 CD1 LEU A 99 -5.407 -10.584 5.408 1.00 60.35 C ATOM 1484 CD2 LEU A 99 -4.109 -9.415 3.561 1.00 73.04 C ATOM 0 H LEU A 99 -8.687 -8.606 2.884 1.00 61.11 H new ATOM 0 HA LEU A 99 -5.988 -8.722 1.612 1.00 21.13 H new ATOM 0 HB2 LEU A 99 -7.423 -10.507 3.623 1.00 53.42 H new ATOM 0 HB3 LEU A 99 -6.078 -11.099 2.668 1.00 53.42 H new ATOM 0 HG LEU A 99 -5.895 -8.692 4.527 1.00 73.25 H new ATOM 0 HD11 LEU A 99 -4.702 -10.167 6.127 1.00 60.35 H new ATOM 0 HD12 LEU A 99 -6.388 -10.678 5.874 1.00 60.35 H new ATOM 0 HD13 LEU A 99 -5.061 -11.567 5.089 1.00 60.35 H new ATOM 0 HD21 LEU A 99 -3.431 -9.032 4.324 1.00 73.04 H new ATOM 0 HD22 LEU A 99 -3.721 -10.356 3.171 1.00 73.04 H new ATOM 0 HD23 LEU A 99 -4.188 -8.691 2.750 1.00 73.04 H new ATOM 1496 N GLU A 100 -6.730 -10.121 -0.324 1.00 10.24 N ATOM 1497 CA GLU A 100 -7.153 -10.871 -1.535 1.00 3.54 C ATOM 1498 C GLU A 100 -6.015 -11.748 -2.066 1.00 54.34 C ATOM 1499 O GLU A 100 -4.849 -11.387 -1.959 1.00 24.11 O ATOM 1500 CB GLU A 100 -7.604 -9.938 -2.690 1.00 11.34 C ATOM 1501 CG GLU A 100 -8.779 -8.990 -2.379 1.00 42.35 C ATOM 1502 CD GLU A 100 -9.465 -8.422 -3.639 1.00 14.25 C ATOM 1503 OE1 GLU A 100 -8.765 -8.157 -4.649 1.00 42.51 O ATOM 1504 OE2 GLU A 100 -10.702 -8.236 -3.621 1.00 22.34 O ATOM 0 H GLU A 100 -5.793 -9.725 -0.396 1.00 10.24 H new ATOM 0 HA GLU A 100 -7.998 -11.483 -1.219 1.00 3.54 H new ATOM 0 HB2 GLU A 100 -6.749 -9.335 -2.997 1.00 11.34 H new ATOM 0 HB3 GLU A 100 -7.880 -10.558 -3.543 1.00 11.34 H new ATOM 0 HG2 GLU A 100 -9.518 -9.525 -1.783 1.00 42.35 H new ATOM 0 HG3 GLU A 100 -8.416 -8.163 -1.769 1.00 42.35 H new ATOM 1511 N GLN A 101 -6.377 -12.877 -2.685 1.00 54.41 N ATOM 1512 CA GLN A 101 -5.429 -13.730 -3.422 1.00 41.21 C ATOM 1513 C GLN A 101 -5.464 -13.353 -4.913 1.00 5.24 C ATOM 1514 O GLN A 101 -6.530 -13.357 -5.538 1.00 2.23 O ATOM 1515 CB GLN A 101 -5.740 -15.247 -3.250 1.00 1.54 C ATOM 1516 CG GLN A 101 -5.502 -15.824 -1.833 1.00 13.43 C ATOM 1517 CD GLN A 101 -6.488 -15.338 -0.762 1.00 5.31 C ATOM 1518 OE1 GLN A 101 -7.640 -15.015 -1.051 1.00 73.53 O ATOM 1519 NE2 GLN A 101 -6.061 -15.306 0.484 1.00 72.10 N ATOM 0 H GLN A 101 -7.335 -13.228 -2.691 1.00 54.41 H new ATOM 0 HA GLN A 101 -4.434 -13.558 -3.010 1.00 41.21 H new ATOM 0 HB2 GLN A 101 -6.781 -15.419 -3.522 1.00 1.54 H new ATOM 0 HB3 GLN A 101 -5.129 -15.807 -3.958 1.00 1.54 H new ATOM 0 HG2 GLN A 101 -5.553 -16.911 -1.886 1.00 13.43 H new ATOM 0 HG3 GLN A 101 -4.491 -15.568 -1.518 1.00 13.43 H new ATOM 0 HE21 GLN A 101 -5.102 -15.578 0.702 1.00 72.10 H new ATOM 0 HE22 GLN A 101 -6.689 -15.009 1.231 1.00 72.10 H new ATOM 1528 N VAL A 102 -4.291 -13.025 -5.471 1.00 33.12 N ATOM 1529 CA VAL A 102 -4.121 -12.685 -6.893 1.00 72.23 C ATOM 1530 C VAL A 102 -3.104 -13.682 -7.493 1.00 52.33 C ATOM 1531 O VAL A 102 -1.936 -13.706 -7.081 1.00 54.43 O ATOM 1532 CB VAL A 102 -3.631 -11.198 -7.108 1.00 2.35 C ATOM 1533 CG1 VAL A 102 -3.662 -10.816 -8.607 1.00 31.41 C ATOM 1534 CG2 VAL A 102 -4.444 -10.194 -6.249 1.00 20.50 C ATOM 0 H VAL A 102 -3.420 -12.987 -4.941 1.00 33.12 H new ATOM 0 HA VAL A 102 -5.087 -12.758 -7.393 1.00 72.23 H new ATOM 0 HB VAL A 102 -2.596 -11.141 -6.770 1.00 2.35 H new ATOM 0 HG11 VAL A 102 -3.320 -9.788 -8.728 1.00 31.41 H new ATOM 0 HG12 VAL A 102 -3.007 -11.484 -9.166 1.00 31.41 H new ATOM 0 HG13 VAL A 102 -4.681 -10.906 -8.985 1.00 31.41 H new ATOM 0 HG21 VAL A 102 -4.076 -9.183 -6.425 1.00 20.50 H new ATOM 0 HG22 VAL A 102 -5.497 -10.250 -6.523 1.00 20.50 H new ATOM 0 HG23 VAL A 102 -4.330 -10.442 -5.194 1.00 20.50 H new ATOM 1544 N GLY A 103 -3.576 -14.525 -8.428 1.00 12.52 N ATOM 1545 CA GLY A 103 -2.790 -15.647 -8.977 1.00 54.32 C ATOM 1546 C GLY A 103 -2.261 -16.643 -7.917 1.00 51.12 C ATOM 1547 O GLY A 103 -1.251 -17.316 -8.145 1.00 75.15 O ATOM 0 H GLY A 103 -4.512 -14.449 -8.825 1.00 12.52 H new ATOM 0 HA2 GLY A 103 -3.408 -16.191 -9.691 1.00 54.32 H new ATOM 0 HA3 GLY A 103 -1.943 -15.243 -9.531 1.00 54.32 H new ATOM 1551 N GLY A 104 -2.969 -16.742 -6.771 1.00 70.00 N ATOM 1552 CA GLY A 104 -2.618 -17.679 -5.681 1.00 45.25 C ATOM 1553 C GLY A 104 -1.734 -17.076 -4.575 1.00 31.43 C ATOM 1554 O GLY A 104 -1.255 -17.808 -3.704 1.00 44.22 O ATOM 0 H GLY A 104 -3.796 -16.178 -6.576 1.00 70.00 H new ATOM 0 HA2 GLY A 104 -3.538 -18.051 -5.230 1.00 45.25 H new ATOM 0 HA3 GLY A 104 -2.103 -18.538 -6.111 1.00 45.25 H new ATOM 1558 N LYS A 105 -1.504 -15.743 -4.609 1.00 32.43 N ATOM 1559 CA LYS A 105 -0.655 -15.027 -3.607 1.00 41.04 C ATOM 1560 C LYS A 105 -1.500 -13.959 -2.875 1.00 74.32 C ATOM 1561 O LYS A 105 -2.148 -13.151 -3.531 1.00 70.03 O ATOM 1562 CB LYS A 105 0.565 -14.325 -4.283 1.00 34.15 C ATOM 1563 CG LYS A 105 1.573 -15.239 -5.032 1.00 64.12 C ATOM 1564 CD LYS A 105 1.076 -15.707 -6.420 1.00 12.45 C ATOM 1565 CE LYS A 105 2.131 -16.519 -7.192 1.00 1.15 C ATOM 1566 NZ LYS A 105 1.599 -17.023 -8.483 1.00 21.44 N ATOM 0 H LYS A 105 -1.895 -15.130 -5.324 1.00 32.43 H new ATOM 0 HA LYS A 105 -0.282 -15.769 -2.901 1.00 41.04 H new ATOM 0 HB2 LYS A 105 0.184 -13.589 -4.990 1.00 34.15 H new ATOM 0 HB3 LYS A 105 1.110 -13.777 -3.515 1.00 34.15 H new ATOM 0 HG2 LYS A 105 2.514 -14.703 -5.155 1.00 64.12 H new ATOM 0 HG3 LYS A 105 1.783 -16.114 -4.417 1.00 64.12 H new ATOM 0 HD2 LYS A 105 0.179 -16.314 -6.294 1.00 12.45 H new ATOM 0 HD3 LYS A 105 0.791 -14.836 -7.011 1.00 12.45 H new ATOM 0 HE2 LYS A 105 3.006 -15.896 -7.377 1.00 1.15 H new ATOM 0 HE3 LYS A 105 2.462 -17.359 -6.582 1.00 1.15 H new ATOM 0 HZ1 LYS A 105 2.033 -17.943 -8.702 1.00 21.44 H new ATOM 0 HZ2 LYS A 105 0.567 -17.134 -8.414 1.00 21.44 H new ATOM 0 HZ3 LYS A 105 1.824 -16.346 -9.239 1.00 21.44 H new ATOM 1580 N THR A 106 -1.481 -13.929 -1.523 1.00 12.40 N ATOM 1581 CA THR A 106 -2.354 -12.999 -0.751 1.00 1.34 C ATOM 1582 C THR A 106 -1.714 -11.587 -0.582 1.00 44.40 C ATOM 1583 O THR A 106 -0.787 -11.404 0.210 1.00 42.01 O ATOM 1584 CB THR A 106 -2.731 -13.573 0.662 1.00 33.32 C ATOM 1585 OG1 THR A 106 -3.179 -14.934 0.543 1.00 63.24 O ATOM 1586 CG2 THR A 106 -3.848 -12.748 1.341 1.00 21.42 C ATOM 0 H THR A 106 -0.885 -14.524 -0.948 1.00 12.40 H new ATOM 0 HA THR A 106 -3.265 -12.898 -1.341 1.00 1.34 H new ATOM 0 HB THR A 106 -1.832 -13.519 1.276 1.00 33.32 H new ATOM 0 HG1 THR A 106 -3.257 -15.332 1.435 1.00 63.24 H new ATOM 0 HG21 THR A 106 -4.078 -13.179 2.315 1.00 21.42 H new ATOM 0 HG22 THR A 106 -3.513 -11.719 1.470 1.00 21.42 H new ATOM 0 HG23 THR A 106 -4.742 -12.763 0.717 1.00 21.42 H new ATOM 1594 N LEU A 107 -2.221 -10.613 -1.360 1.00 51.54 N ATOM 1595 CA LEU A 107 -1.859 -9.174 -1.245 1.00 50.31 C ATOM 1596 C LEU A 107 -2.752 -8.443 -0.195 1.00 34.21 C ATOM 1597 O LEU A 107 -3.850 -8.911 0.135 1.00 43.53 O ATOM 1598 CB LEU A 107 -1.975 -8.461 -2.637 1.00 54.21 C ATOM 1599 CG LEU A 107 -0.877 -8.799 -3.710 1.00 63.51 C ATOM 1600 CD1 LEU A 107 -0.943 -10.265 -4.186 1.00 51.52 C ATOM 1601 CD2 LEU A 107 -0.956 -7.831 -4.913 1.00 30.02 C ATOM 0 H LEU A 107 -2.902 -10.797 -2.097 1.00 51.54 H new ATOM 0 HA LEU A 107 -0.824 -9.123 -0.906 1.00 50.31 H new ATOM 0 HB2 LEU A 107 -2.949 -8.705 -3.062 1.00 54.21 H new ATOM 0 HB3 LEU A 107 -1.962 -7.384 -2.467 1.00 54.21 H new ATOM 0 HG LEU A 107 0.087 -8.666 -3.219 1.00 63.51 H new ATOM 0 HD11 LEU A 107 -0.163 -10.443 -4.926 1.00 51.52 H new ATOM 0 HD12 LEU A 107 -0.795 -10.931 -3.336 1.00 51.52 H new ATOM 0 HD13 LEU A 107 -1.918 -10.459 -4.633 1.00 51.52 H new ATOM 0 HD21 LEU A 107 -0.185 -8.089 -5.639 1.00 30.02 H new ATOM 0 HD22 LEU A 107 -1.937 -7.912 -5.381 1.00 30.02 H new ATOM 0 HD23 LEU A 107 -0.802 -6.809 -4.568 1.00 30.02 H new ATOM 1613 N LEU A 108 -2.277 -7.272 0.296 1.00 64.31 N ATOM 1614 CA LEU A 108 -3.031 -6.417 1.256 1.00 75.25 C ATOM 1615 C LEU A 108 -3.389 -5.067 0.603 1.00 34.24 C ATOM 1616 O LEU A 108 -2.532 -4.392 0.025 1.00 50.14 O ATOM 1617 CB LEU A 108 -2.220 -6.156 2.556 1.00 0.02 C ATOM 1618 CG LEU A 108 -2.875 -5.198 3.619 1.00 74.32 C ATOM 1619 CD1 LEU A 108 -4.175 -5.795 4.207 1.00 51.41 C ATOM 1620 CD2 LEU A 108 -1.871 -4.838 4.743 1.00 70.42 C ATOM 0 H LEU A 108 -1.365 -6.892 0.041 1.00 64.31 H new ATOM 0 HA LEU A 108 -3.941 -6.955 1.521 1.00 75.25 H new ATOM 0 HB2 LEU A 108 -2.028 -7.116 3.036 1.00 0.02 H new ATOM 0 HB3 LEU A 108 -1.252 -5.741 2.275 1.00 0.02 H new ATOM 0 HG LEU A 108 -3.145 -4.278 3.100 1.00 74.32 H new ATOM 0 HD11 LEU A 108 -4.596 -5.103 4.937 1.00 51.41 H new ATOM 0 HD12 LEU A 108 -4.895 -5.959 3.405 1.00 51.41 H new ATOM 0 HD13 LEU A 108 -3.952 -6.744 4.694 1.00 51.41 H new ATOM 0 HD21 LEU A 108 -2.352 -4.175 5.462 1.00 70.42 H new ATOM 0 HD22 LEU A 108 -1.548 -5.748 5.248 1.00 70.42 H new ATOM 0 HD23 LEU A 108 -1.005 -4.337 4.311 1.00 70.42 H new ATOM 1632 N VAL A 109 -4.660 -4.689 0.733 1.00 13.12 N ATOM 1633 CA VAL A 109 -5.204 -3.421 0.235 1.00 30.43 C ATOM 1634 C VAL A 109 -5.268 -2.414 1.407 1.00 42.34 C ATOM 1635 O VAL A 109 -5.909 -2.704 2.427 1.00 24.21 O ATOM 1636 CB VAL A 109 -6.661 -3.611 -0.352 1.00 11.42 C ATOM 1637 CG1 VAL A 109 -7.026 -2.467 -1.310 1.00 63.02 C ATOM 1638 CG2 VAL A 109 -6.851 -4.984 -1.032 1.00 72.54 C ATOM 0 H VAL A 109 -5.359 -5.268 1.198 1.00 13.12 H new ATOM 0 HA VAL A 109 -4.556 -3.056 -0.561 1.00 30.43 H new ATOM 0 HB VAL A 109 -7.346 -3.581 0.495 1.00 11.42 H new ATOM 0 HG11 VAL A 109 -8.032 -2.624 -1.698 1.00 63.02 H new ATOM 0 HG12 VAL A 109 -6.987 -1.518 -0.775 1.00 63.02 H new ATOM 0 HG13 VAL A 109 -6.317 -2.446 -2.138 1.00 63.02 H new ATOM 0 HG21 VAL A 109 -7.868 -5.062 -1.417 1.00 72.54 H new ATOM 0 HG22 VAL A 109 -6.143 -5.084 -1.855 1.00 72.54 H new ATOM 0 HG23 VAL A 109 -6.677 -5.777 -0.305 1.00 72.54 H new ATOM 1648 N VAL A 110 -4.608 -1.250 1.278 1.00 72.22 N ATOM 1649 CA VAL A 110 -4.620 -0.204 2.335 1.00 44.55 C ATOM 1650 C VAL A 110 -5.166 1.126 1.786 1.00 33.34 C ATOM 1651 O VAL A 110 -4.525 1.777 0.967 1.00 65.31 O ATOM 1652 CB VAL A 110 -3.187 0.035 2.950 1.00 30.13 C ATOM 1653 CG1 VAL A 110 -3.224 1.057 4.128 1.00 62.21 C ATOM 1654 CG2 VAL A 110 -2.550 -1.301 3.390 1.00 14.03 C ATOM 0 H VAL A 110 -4.058 -1.003 0.456 1.00 72.22 H new ATOM 0 HA VAL A 110 -5.275 -0.569 3.126 1.00 44.55 H new ATOM 0 HB VAL A 110 -2.563 0.469 2.169 1.00 30.13 H new ATOM 0 HG11 VAL A 110 -2.217 1.193 4.523 1.00 62.21 H new ATOM 0 HG12 VAL A 110 -3.605 2.013 3.769 1.00 62.21 H new ATOM 0 HG13 VAL A 110 -3.875 0.680 4.916 1.00 62.21 H new ATOM 0 HG21 VAL A 110 -1.562 -1.112 3.811 1.00 14.03 H new ATOM 0 HG22 VAL A 110 -3.181 -1.774 4.142 1.00 14.03 H new ATOM 0 HG23 VAL A 110 -2.457 -1.961 2.528 1.00 14.03 H new ATOM 1664 N TYR A 111 -6.362 1.504 2.240 1.00 52.21 N ATOM 1665 CA TYR A 111 -6.934 2.834 1.990 1.00 10.41 C ATOM 1666 C TYR A 111 -6.609 3.755 3.175 1.00 21.35 C ATOM 1667 O TYR A 111 -6.800 3.374 4.336 1.00 20.32 O ATOM 1668 CB TYR A 111 -8.470 2.754 1.789 1.00 1.41 C ATOM 1669 CG TYR A 111 -9.145 4.120 1.570 1.00 65.22 C ATOM 1670 CD1 TYR A 111 -8.842 4.890 0.444 1.00 50.21 C ATOM 1671 CD2 TYR A 111 -10.052 4.654 2.495 1.00 14.52 C ATOM 1672 CE1 TYR A 111 -9.417 6.128 0.251 1.00 3.32 C ATOM 1673 CE2 TYR A 111 -10.625 5.897 2.301 1.00 23.11 C ATOM 1674 CZ TYR A 111 -10.304 6.628 1.178 1.00 11.31 C ATOM 1675 OH TYR A 111 -10.868 7.869 0.982 1.00 75.34 O ATOM 0 H TYR A 111 -6.966 0.896 2.794 1.00 52.21 H new ATOM 0 HA TYR A 111 -6.496 3.236 1.076 1.00 10.41 H new ATOM 0 HB2 TYR A 111 -8.681 2.114 0.932 1.00 1.41 H new ATOM 0 HB3 TYR A 111 -8.916 2.276 2.661 1.00 1.41 H new ATOM 0 HD1 TYR A 111 -8.145 4.509 -0.288 1.00 50.21 H new ATOM 0 HD2 TYR A 111 -10.308 4.084 3.376 1.00 14.52 H new ATOM 0 HE1 TYR A 111 -9.172 6.706 -0.628 1.00 3.32 H new ATOM 0 HE2 TYR A 111 -11.321 6.293 3.026 1.00 23.11 H new ATOM 0 HH TYR A 111 -11.472 8.075 1.726 1.00 75.34 H new ATOM 1685 N VAL A 112 -6.128 4.960 2.862 1.00 52.44 N ATOM 1686 CA VAL A 112 -5.897 6.026 3.844 1.00 75.23 C ATOM 1687 C VAL A 112 -7.113 6.985 3.823 1.00 11.43 C ATOM 1688 O VAL A 112 -7.282 7.738 2.849 1.00 3.20 O ATOM 1689 CB VAL A 112 -4.570 6.820 3.531 1.00 70.22 C ATOM 1690 CG1 VAL A 112 -4.304 7.934 4.581 1.00 32.42 C ATOM 1691 CG2 VAL A 112 -3.364 5.857 3.424 1.00 73.53 C ATOM 0 H VAL A 112 -5.884 5.228 1.908 1.00 52.44 H new ATOM 0 HA VAL A 112 -5.783 5.581 4.833 1.00 75.23 H new ATOM 0 HB VAL A 112 -4.701 7.310 2.566 1.00 70.22 H new ATOM 0 HG11 VAL A 112 -3.381 8.458 4.330 1.00 32.42 H new ATOM 0 HG12 VAL A 112 -5.134 8.641 4.580 1.00 32.42 H new ATOM 0 HG13 VAL A 112 -4.210 7.486 5.570 1.00 32.42 H new ATOM 0 HG21 VAL A 112 -2.461 6.428 3.208 1.00 73.53 H new ATOM 0 HG22 VAL A 112 -3.239 5.324 4.366 1.00 73.53 H new ATOM 0 HG23 VAL A 112 -3.541 5.140 2.622 1.00 73.53 H new ATOM 1701 N PRO A 113 -8.019 6.931 4.854 1.00 24.43 N ATOM 1702 CA PRO A 113 -9.086 7.940 5.013 1.00 3.40 C ATOM 1703 C PRO A 113 -8.450 9.307 5.329 1.00 0.04 C ATOM 1704 O PRO A 113 -7.698 9.435 6.308 1.00 52.51 O ATOM 1705 CB PRO A 113 -9.956 7.390 6.184 1.00 34.31 C ATOM 1706 CG PRO A 113 -9.541 5.950 6.329 1.00 52.43 C ATOM 1707 CD PRO A 113 -8.088 5.907 5.925 1.00 62.32 C ATOM 0 HA PRO A 113 -9.693 8.096 4.121 1.00 3.40 H new ATOM 0 HB2 PRO A 113 -9.779 7.947 7.104 1.00 34.31 H new ATOM 0 HB3 PRO A 113 -11.019 7.474 5.960 1.00 34.31 H new ATOM 0 HG2 PRO A 113 -9.674 5.605 7.354 1.00 52.43 H new ATOM 0 HG3 PRO A 113 -10.144 5.302 5.694 1.00 52.43 H new ATOM 0 HD2 PRO A 113 -7.428 6.147 6.759 1.00 62.32 H new ATOM 0 HD3 PRO A 113 -7.797 4.921 5.562 1.00 62.32 H new ATOM 1715 N GLU A 114 -8.740 10.307 4.486 1.00 15.34 N ATOM 1716 CA GLU A 114 -8.036 11.602 4.489 1.00 52.22 C ATOM 1717 C GLU A 114 -8.283 12.366 5.808 1.00 62.35 C ATOM 1718 O GLU A 114 -9.428 12.440 6.269 1.00 73.31 O ATOM 1719 CB GLU A 114 -8.533 12.425 3.282 1.00 22.24 C ATOM 1720 CG GLU A 114 -7.812 13.763 3.056 1.00 31.23 C ATOM 1721 CD GLU A 114 -8.458 14.578 1.928 1.00 62.32 C ATOM 1722 OE1 GLU A 114 -8.389 14.150 0.750 1.00 45.20 O ATOM 1723 OE2 GLU A 114 -9.074 15.630 2.212 1.00 61.54 O ATOM 0 H GLU A 114 -9.472 10.243 3.779 1.00 15.34 H new ATOM 0 HA GLU A 114 -6.962 11.435 4.411 1.00 52.22 H new ATOM 0 HB2 GLU A 114 -8.428 11.819 2.382 1.00 22.24 H new ATOM 0 HB3 GLU A 114 -9.597 12.622 3.412 1.00 22.24 H new ATOM 0 HG2 GLU A 114 -7.827 14.344 3.978 1.00 31.23 H new ATOM 0 HG3 GLU A 114 -6.766 13.575 2.815 1.00 31.23 H new ATOM 1730 N ALA A 115 -7.210 12.926 6.397 1.00 71.43 N ATOM 1731 CA ALA A 115 -7.266 13.596 7.717 1.00 65.45 C ATOM 1732 C ALA A 115 -8.319 14.731 7.758 1.00 32.55 C ATOM 1733 O ALA A 115 -8.349 15.596 6.879 1.00 2.43 O ATOM 1734 CB ALA A 115 -5.881 14.144 8.101 1.00 34.11 C ATOM 0 H ALA A 115 -6.281 12.929 5.976 1.00 71.43 H new ATOM 0 HA ALA A 115 -7.571 12.843 8.444 1.00 65.45 H new ATOM 0 HB1 ALA A 115 -5.940 14.633 9.073 1.00 34.11 H new ATOM 0 HB2 ALA A 115 -5.166 13.323 8.151 1.00 34.11 H new ATOM 0 HB3 ALA A 115 -5.554 14.865 7.352 1.00 34.11 H new ATOM 1740 N ASP A 116 -9.178 14.699 8.786 1.00 53.21 N ATOM 1741 CA ASP A 116 -10.229 15.714 9.020 1.00 33.23 C ATOM 1742 C ASP A 116 -9.657 16.904 9.843 1.00 3.41 C ATOM 1743 O ASP A 116 -8.545 16.819 10.367 1.00 73.11 O ATOM 1744 CB ASP A 116 -11.418 15.028 9.751 1.00 11.01 C ATOM 1745 CG ASP A 116 -12.602 15.963 10.045 1.00 13.30 C ATOM 1746 OD1 ASP A 116 -13.256 16.416 9.084 1.00 41.41 O ATOM 1747 OD2 ASP A 116 -12.831 16.312 11.226 1.00 10.03 O ATOM 0 H ASP A 116 -9.167 13.961 9.490 1.00 53.21 H new ATOM 0 HA ASP A 116 -10.582 16.122 8.073 1.00 33.23 H new ATOM 0 HB2 ASP A 116 -11.770 14.194 9.144 1.00 11.01 H new ATOM 0 HB3 ASP A 116 -11.059 14.609 10.691 1.00 11.01 H new ATOM 1752 N VAL A 117 -10.431 18.007 9.934 1.00 33.31 N ATOM 1753 CA VAL A 117 -10.092 19.209 10.748 1.00 22.51 C ATOM 1754 C VAL A 117 -9.848 18.863 12.254 1.00 74.33 C ATOM 1755 O VAL A 117 -9.155 19.607 12.956 1.00 60.34 O ATOM 1756 CB VAL A 117 -11.216 20.307 10.616 1.00 70.54 C ATOM 1757 CG1 VAL A 117 -10.822 21.644 11.298 1.00 33.41 C ATOM 1758 CG2 VAL A 117 -11.604 20.534 9.129 1.00 41.24 C ATOM 0 H VAL A 117 -11.320 18.095 9.441 1.00 33.31 H new ATOM 0 HA VAL A 117 -9.157 19.604 10.351 1.00 22.51 H new ATOM 0 HB VAL A 117 -12.090 19.927 11.145 1.00 70.54 H new ATOM 0 HG11 VAL A 117 -11.630 22.366 11.178 1.00 33.41 H new ATOM 0 HG12 VAL A 117 -10.643 21.472 12.359 1.00 33.41 H new ATOM 0 HG13 VAL A 117 -9.915 22.035 10.836 1.00 33.41 H new ATOM 0 HG21 VAL A 117 -12.381 21.296 9.068 1.00 41.24 H new ATOM 0 HG22 VAL A 117 -10.728 20.863 8.571 1.00 41.24 H new ATOM 0 HG23 VAL A 117 -11.976 19.602 8.704 1.00 41.24 H new ATOM 1768 N THR A 118 -10.399 17.710 12.724 1.00 15.31 N ATOM 1769 CA THR A 118 -10.134 17.158 14.091 1.00 53.35 C ATOM 1770 C THR A 118 -8.614 16.953 14.344 1.00 21.51 C ATOM 1771 O THR A 118 -8.157 16.919 15.491 1.00 34.44 O ATOM 1772 CB THR A 118 -10.888 15.800 14.325 1.00 53.24 C ATOM 1773 OG1 THR A 118 -10.684 15.337 15.670 1.00 74.23 O ATOM 1774 CG2 THR A 118 -10.445 14.698 13.340 1.00 51.05 C ATOM 0 H THR A 118 -11.037 17.136 12.172 1.00 15.31 H new ATOM 0 HA THR A 118 -10.512 17.897 14.798 1.00 53.35 H new ATOM 0 HB THR A 118 -11.945 16.000 14.152 1.00 53.24 H new ATOM 0 HG1 THR A 118 -11.161 14.491 15.801 1.00 74.23 H new ATOM 0 HG21 THR A 118 -10.998 13.782 13.547 1.00 51.05 H new ATOM 0 HG22 THR A 118 -10.646 15.021 12.319 1.00 51.05 H new ATOM 0 HG23 THR A 118 -9.377 14.512 13.458 1.00 51.05 H new ATOM 1782 N HIS A 119 -7.850 16.801 13.243 1.00 40.32 N ATOM 1783 CA HIS A 119 -6.380 16.887 13.247 1.00 5.14 C ATOM 1784 C HIS A 119 -6.026 18.420 13.054 1.00 22.44 C ATOM 1785 O HIS A 119 -5.886 19.100 14.072 1.00 54.12 O ATOM 1786 CB HIS A 119 -5.816 15.866 12.221 1.00 63.23 C ATOM 1787 CG HIS A 119 -6.440 14.500 12.364 1.00 15.23 C ATOM 1788 ND1 HIS A 119 -6.310 13.772 13.518 1.00 73.50 N ATOM 1789 CD2 HIS A 119 -7.233 13.820 11.509 1.00 10.01 C ATOM 1790 CE1 HIS A 119 -7.029 12.681 13.345 1.00 32.14 C ATOM 1791 NE2 HIS A 119 -7.603 12.669 12.137 1.00 72.44 N ATOM 0 H HIS A 119 -8.242 16.614 12.320 1.00 40.32 H new ATOM 0 HA HIS A 119 -5.893 16.590 14.176 1.00 5.14 H new ATOM 0 HB2 HIS A 119 -5.989 16.237 11.211 1.00 63.23 H new ATOM 0 HB3 HIS A 119 -4.737 15.784 12.350 1.00 63.23 H new ATOM 0 HD2 HIS A 119 -7.520 14.130 10.515 1.00 10.01 H new ATOM 0 HE1 HIS A 119 -7.140 11.899 14.082 1.00 32.14 H new ATOM 0 HE2 HIS A 119 -8.204 11.937 11.758 1.00 72.44 H new ATOM 1799 N LYS A 120 -5.853 19.039 11.839 1.00 74.53 N ATOM 1800 CA LYS A 120 -5.021 18.639 10.660 1.00 12.20 C ATOM 1801 C LYS A 120 -3.457 18.512 11.008 1.00 53.15 C ATOM 1802 O LYS A 120 -3.132 18.191 12.151 1.00 31.01 O ATOM 1803 CB LYS A 120 -5.364 19.632 9.506 1.00 10.44 C ATOM 1804 CG LYS A 120 -6.763 19.473 8.864 1.00 23.15 C ATOM 1805 CD LYS A 120 -6.871 18.234 7.948 1.00 3.04 C ATOM 1806 CE LYS A 120 -5.941 18.303 6.723 1.00 50.34 C ATOM 1807 NZ LYS A 120 -6.157 17.176 5.773 1.00 1.23 N ATOM 0 H LYS A 120 -6.341 19.914 11.647 1.00 74.53 H new ATOM 0 HA LYS A 120 -5.264 17.627 10.335 1.00 12.20 H new ATOM 0 HB2 LYS A 120 -5.277 20.648 9.891 1.00 10.44 H new ATOM 0 HB3 LYS A 120 -4.613 19.521 8.724 1.00 10.44 H new ATOM 0 HG2 LYS A 120 -7.512 19.401 9.652 1.00 23.15 H new ATOM 0 HG3 LYS A 120 -6.994 20.367 8.285 1.00 23.15 H new ATOM 0 HD2 LYS A 120 -6.634 17.341 8.526 1.00 3.04 H new ATOM 0 HD3 LYS A 120 -7.902 18.130 7.608 1.00 3.04 H new ATOM 0 HE2 LYS A 120 -6.102 19.247 6.203 1.00 50.34 H new ATOM 0 HE3 LYS A 120 -4.904 18.296 7.058 1.00 50.34 H new ATOM 0 HZ1 LYS A 120 -5.310 16.573 5.751 1.00 1.23 H new ATOM 0 HZ2 LYS A 120 -6.975 16.613 6.082 1.00 1.23 H new ATOM 0 HZ3 LYS A 120 -6.337 17.554 4.821 1.00 1.23 H new ATOM 1821 N PRO A 121 -2.451 18.792 10.052 1.00 23.14 N ATOM 1822 CA PRO A 121 -1.190 18.013 9.842 1.00 64.14 C ATOM 1823 C PRO A 121 -0.884 16.770 10.737 1.00 1.25 C ATOM 1824 O PRO A 121 -0.752 16.864 11.965 1.00 64.23 O ATOM 1825 CB PRO A 121 -0.121 19.113 10.030 1.00 42.34 C ATOM 1826 CG PRO A 121 -0.744 20.352 9.425 1.00 10.23 C ATOM 1827 CD PRO A 121 -2.250 20.076 9.294 1.00 72.45 C ATOM 0 HA PRO A 121 -1.242 17.509 8.877 1.00 64.14 H new ATOM 0 HB2 PRO A 121 0.115 19.261 11.084 1.00 42.34 H new ATOM 0 HB3 PRO A 121 0.811 18.851 9.528 1.00 42.34 H new ATOM 0 HG2 PRO A 121 -0.564 21.222 10.056 1.00 10.23 H new ATOM 0 HG3 PRO A 121 -0.305 20.569 8.451 1.00 10.23 H new ATOM 0 HD2 PRO A 121 -2.843 20.887 9.718 1.00 72.45 H new ATOM 0 HD3 PRO A 121 -2.548 19.975 8.250 1.00 72.45 H new ATOM 1835 N ILE A 122 -0.727 15.606 10.073 1.00 33.24 N ATOM 1836 CA ILE A 122 -0.249 14.362 10.712 1.00 12.44 C ATOM 1837 C ILE A 122 1.266 14.226 10.466 1.00 62.14 C ATOM 1838 O ILE A 122 1.688 13.724 9.421 1.00 65.31 O ATOM 1839 CB ILE A 122 -1.018 13.093 10.154 1.00 34.31 C ATOM 1840 CG1 ILE A 122 -2.560 13.278 10.295 1.00 62.25 C ATOM 1841 CG2 ILE A 122 -0.549 11.783 10.860 1.00 44.05 C ATOM 1842 CD1 ILE A 122 -3.028 13.585 11.703 1.00 73.10 C ATOM 0 H ILE A 122 -0.928 15.502 9.078 1.00 33.24 H new ATOM 0 HA ILE A 122 -0.447 14.415 11.783 1.00 12.44 H new ATOM 0 HB ILE A 122 -0.778 12.999 9.095 1.00 34.31 H new ATOM 0 HG12 ILE A 122 -2.879 14.085 9.635 1.00 62.25 H new ATOM 0 HG13 ILE A 122 -3.055 12.370 9.950 1.00 62.25 H new ATOM 0 HG21 ILE A 122 -1.097 10.934 10.452 1.00 44.05 H new ATOM 0 HG22 ILE A 122 0.518 11.641 10.691 1.00 44.05 H new ATOM 0 HG23 ILE A 122 -0.740 11.858 11.931 1.00 44.05 H new ATOM 0 HD11 ILE A 122 -4.112 13.698 11.710 1.00 73.10 H new ATOM 0 HD12 ILE A 122 -2.744 12.768 12.367 1.00 73.10 H new ATOM 0 HD13 ILE A 122 -2.565 14.510 12.047 1.00 73.10 H new ATOM 1854 N TYR A 123 2.079 14.740 11.398 1.00 35.10 N ATOM 1855 CA TYR A 123 3.548 14.625 11.308 1.00 54.40 C ATOM 1856 C TYR A 123 4.036 13.253 11.819 1.00 34.33 C ATOM 1857 O TYR A 123 3.305 12.543 12.515 1.00 42.31 O ATOM 1858 CB TYR A 123 4.237 15.792 12.083 1.00 40.53 C ATOM 1859 CG TYR A 123 3.874 15.934 13.585 1.00 22.41 C ATOM 1860 CD1 TYR A 123 4.502 15.154 14.564 1.00 12.14 C ATOM 1861 CD2 TYR A 123 2.922 16.867 14.019 1.00 65.11 C ATOM 1862 CE1 TYR A 123 4.198 15.294 15.907 1.00 64.11 C ATOM 1863 CE2 TYR A 123 2.615 17.007 15.363 1.00 43.23 C ATOM 1864 CZ TYR A 123 3.256 16.219 16.302 1.00 13.41 C ATOM 1865 OH TYR A 123 2.958 16.363 17.643 1.00 64.34 O ATOM 0 H TYR A 123 1.749 15.240 12.224 1.00 35.10 H new ATOM 0 HA TYR A 123 3.829 14.700 10.257 1.00 54.40 H new ATOM 0 HB2 TYR A 123 5.317 15.664 12.003 1.00 40.53 H new ATOM 0 HB3 TYR A 123 3.989 16.728 11.582 1.00 40.53 H new ATOM 0 HD1 TYR A 123 5.241 14.426 14.264 1.00 12.14 H new ATOM 0 HD2 TYR A 123 2.419 17.488 13.293 1.00 65.11 H new ATOM 0 HE1 TYR A 123 4.697 14.681 16.643 1.00 64.11 H new ATOM 0 HE2 TYR A 123 1.877 17.730 15.677 1.00 43.23 H new ATOM 0 HH TYR A 123 2.275 17.057 17.754 1.00 64.34 H new ATOM 1875 N LYS A 124 5.272 12.879 11.460 1.00 23.22 N ATOM 1876 CA LYS A 124 5.915 11.663 12.001 1.00 70.13 C ATOM 1877 C LYS A 124 6.451 11.984 13.427 1.00 12.42 C ATOM 1878 O LYS A 124 7.093 13.020 13.620 1.00 62.42 O ATOM 1879 CB LYS A 124 7.053 11.175 11.036 1.00 4.24 C ATOM 1880 CG LYS A 124 7.471 9.678 11.177 1.00 65.15 C ATOM 1881 CD LYS A 124 8.278 9.366 12.459 1.00 53.12 C ATOM 1882 CE LYS A 124 8.606 7.875 12.625 1.00 33.34 C ATOM 1883 NZ LYS A 124 9.402 7.623 13.856 1.00 61.44 N ATOM 0 H LYS A 124 5.850 13.397 10.798 1.00 23.22 H new ATOM 0 HA LYS A 124 5.195 10.848 12.075 1.00 70.13 H new ATOM 0 HB2 LYS A 124 6.730 11.347 10.009 1.00 4.24 H new ATOM 0 HB3 LYS A 124 7.934 11.795 11.201 1.00 4.24 H new ATOM 0 HG2 LYS A 124 6.574 9.059 11.165 1.00 65.15 H new ATOM 0 HG3 LYS A 124 8.065 9.394 10.308 1.00 65.15 H new ATOM 0 HD2 LYS A 124 9.207 9.935 12.442 1.00 53.12 H new ATOM 0 HD3 LYS A 124 7.712 9.705 13.327 1.00 53.12 H new ATOM 0 HE2 LYS A 124 7.680 7.301 12.666 1.00 33.34 H new ATOM 0 HE3 LYS A 124 9.161 7.525 11.754 1.00 33.34 H new ATOM 0 HZ1 LYS A 124 9.605 6.606 13.936 1.00 61.44 H new ATOM 0 HZ2 LYS A 124 10.296 8.152 13.806 1.00 61.44 H new ATOM 0 HZ3 LYS A 124 8.862 7.935 14.688 1.00 61.44 H new