USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 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 44 TYR OH : rot 180:sc= 0.157 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -139:sc= 0.503 (180deg=-0.0977) USER MOD Set 2.1: A 43 TYR OH : rot -159:sc= 0.677 USER MOD Set 2.2: A 65 GLN : amide:sc= -1.4 K(o=-0.72,f=0.51) USER MOD Set 3.1: A 16 HIS : no HE2:sc= 0.0736 K(o=-0.25,f=-2.6) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.327 X(o=-0.25,f=0.12) USER MOD Set 4.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 45 HIS : no HD1:sc= -1.31 K(o=-1.3,f=0.38) USER MOD Single : A 8 THR OG1 : rot -160:sc= -2! USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.0836 (180deg=-0.561) USER MOD Single : A 19 HIS : no HD1:sc= -1.37! K(o=-1.4!,f=0.42) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 85:sc= 0.968 USER MOD Single : A 39 TYR OH : rot 147:sc= 0.0161 USER MOD Single : A 42 THR OG1 : rot 97:sc= -2.01! USER MOD Single : A 50 TYR OH : rot 37:sc= 0.27 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 76:sc= 0.981 USER MOD Single : A 63 TYR OH : rot -160:sc= 0.0302 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= 1.33 (180deg=0.787) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.819 K(o=-0.82,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -142:sc= 1.31 (180deg=0.71) USER MOD Single : A 88 LYS NZ :NH3+ -160:sc= -0.276 (180deg=-0.539) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 2.576 0.348 -3.189 1.00 71.21 N ATOM 19 CA ASP A 2 2.048 -0.724 -4.036 1.00 43.34 C ATOM 20 C ASP A 2 2.812 -0.788 -5.371 1.00 25.54 C ATOM 21 O ASP A 2 3.492 0.169 -5.747 1.00 23.50 O ATOM 22 CB ASP A 2 0.557 -0.474 -4.304 1.00 44.10 C ATOM 23 CG ASP A 2 -0.215 -0.171 -3.034 1.00 24.33 C ATOM 24 OD1 ASP A 2 -0.097 0.963 -2.525 1.00 34.23 O ATOM 25 OD2 ASP A 2 -0.942 -1.056 -2.540 1.00 63.13 O ATOM 0 HA ASP A 2 2.175 -1.675 -3.519 1.00 43.34 H new ATOM 0 HB2 ASP A 2 0.450 0.359 -4.999 1.00 44.10 H new ATOM 0 HB3 ASP A 2 0.126 -1.350 -4.788 1.00 44.10 H new ATOM 30 N PRO A 3 2.708 -1.910 -6.117 1.00 41.33 N ATOM 31 CA PRO A 3 3.287 -2.011 -7.474 1.00 4.21 C ATOM 32 C PRO A 3 2.774 -0.902 -8.415 1.00 61.05 C ATOM 33 O PRO A 3 3.307 -0.694 -9.507 1.00 25.12 O ATOM 34 CB PRO A 3 2.827 -3.398 -7.955 1.00 62.14 C ATOM 35 CG PRO A 3 2.577 -4.168 -6.702 1.00 4.05 C ATOM 36 CD PRO A 3 2.051 -3.168 -5.707 1.00 2.11 C ATOM 0 HA PRO A 3 4.370 -1.890 -7.469 1.00 4.21 H new ATOM 0 HB2 PRO A 3 1.925 -3.327 -8.563 1.00 62.14 H new ATOM 0 HB3 PRO A 3 3.589 -3.877 -8.569 1.00 62.14 H new ATOM 0 HG2 PRO A 3 1.856 -4.968 -6.871 1.00 4.05 H new ATOM 0 HG3 PRO A 3 3.493 -4.635 -6.340 1.00 4.05 H new ATOM 0 HD2 PRO A 3 0.965 -3.088 -5.751 1.00 2.11 H new ATOM 0 HD3 PRO A 3 2.309 -3.443 -4.684 1.00 2.11 H new ATOM 44 N GLU A 4 1.729 -0.199 -7.976 1.00 42.21 N ATOM 45 CA GLU A 4 1.148 0.916 -8.731 1.00 51.51 C ATOM 46 C GLU A 4 2.037 2.171 -8.676 1.00 23.20 C ATOM 47 O GLU A 4 2.071 2.958 -9.625 1.00 35.40 O ATOM 48 CB GLU A 4 -0.250 1.236 -8.180 1.00 74.21 C ATOM 49 CG GLU A 4 -1.178 0.025 -8.121 1.00 52.24 C ATOM 50 CD GLU A 4 -1.411 -0.611 -9.484 1.00 24.42 C ATOM 51 OE1 GLU A 4 -0.636 -1.513 -9.872 1.00 60.54 O ATOM 52 OE2 GLU A 4 -2.374 -0.215 -10.174 1.00 23.41 O ATOM 0 H GLU A 4 1.261 -0.385 -7.089 1.00 42.21 H new ATOM 0 HA GLU A 4 1.075 0.613 -9.776 1.00 51.51 H new ATOM 0 HB2 GLU A 4 -0.149 1.655 -7.179 1.00 74.21 H new ATOM 0 HB3 GLU A 4 -0.709 2.004 -8.802 1.00 74.21 H new ATOM 0 HG2 GLU A 4 -0.754 -0.719 -7.447 1.00 52.24 H new ATOM 0 HG3 GLU A 4 -2.136 0.328 -7.699 1.00 52.24 H new ATOM 59 N ASP A 5 2.742 2.364 -7.556 1.00 2.11 N ATOM 60 CA ASP A 5 3.653 3.504 -7.403 1.00 11.11 C ATOM 61 C ASP A 5 4.710 3.526 -8.520 1.00 14.51 C ATOM 62 O ASP A 5 5.423 2.538 -8.727 1.00 61.33 O ATOM 63 CB ASP A 5 4.362 3.456 -6.043 1.00 65.21 C ATOM 64 CG ASP A 5 3.429 3.679 -4.869 1.00 74.11 C ATOM 65 OD1 ASP A 5 2.707 2.735 -4.486 1.00 3.12 O ATOM 66 OD2 ASP A 5 3.423 4.794 -4.311 1.00 73.34 O ATOM 0 H ASP A 5 2.700 1.748 -6.744 1.00 2.11 H new ATOM 0 HA ASP A 5 3.050 4.410 -7.467 1.00 11.11 H new ATOM 0 HB2 ASP A 5 4.851 2.488 -5.930 1.00 65.21 H new ATOM 0 HB3 ASP A 5 5.146 4.213 -6.023 1.00 65.21 H new ATOM 71 N PRO A 6 4.830 4.654 -9.251 1.00 14.13 N ATOM 72 CA PRO A 6 5.828 4.811 -10.320 1.00 0.44 C ATOM 73 C PRO A 6 7.243 4.401 -9.876 1.00 21.54 C ATOM 74 O PRO A 6 7.958 3.722 -10.614 1.00 63.11 O ATOM 75 CB PRO A 6 5.772 6.313 -10.672 1.00 11.22 C ATOM 76 CG PRO A 6 4.880 6.945 -9.645 1.00 4.11 C ATOM 77 CD PRO A 6 3.991 5.855 -9.118 1.00 33.03 C ATOM 0 HA PRO A 6 5.607 4.164 -11.169 1.00 0.44 H new ATOM 0 HB2 PRO A 6 6.768 6.756 -10.650 1.00 11.22 H new ATOM 0 HB3 PRO A 6 5.378 6.464 -11.677 1.00 11.22 H new ATOM 0 HG2 PRO A 6 5.468 7.388 -8.841 1.00 4.11 H new ATOM 0 HG3 PRO A 6 4.289 7.747 -10.087 1.00 4.11 H new ATOM 0 HD2 PRO A 6 3.703 6.034 -8.082 1.00 33.03 H new ATOM 0 HD3 PRO A 6 3.070 5.770 -9.695 1.00 33.03 H new ATOM 85 N PHE A 7 7.635 4.794 -8.660 1.00 62.10 N ATOM 86 CA PHE A 7 8.950 4.422 -8.124 1.00 42.42 C ATOM 87 C PHE A 7 9.044 2.917 -7.816 1.00 11.40 C ATOM 88 O PHE A 7 10.082 2.302 -8.042 1.00 2.45 O ATOM 89 CB PHE A 7 9.283 5.234 -6.863 1.00 22.12 C ATOM 90 CG PHE A 7 10.614 4.865 -6.251 1.00 61.34 C ATOM 91 CD1 PHE A 7 11.802 5.221 -6.877 1.00 21.32 C ATOM 92 CD2 PHE A 7 10.678 4.151 -5.061 1.00 43.43 C ATOM 93 CE1 PHE A 7 13.022 4.871 -6.330 1.00 74.11 C ATOM 94 CE2 PHE A 7 11.896 3.801 -4.510 1.00 10.51 C ATOM 95 CZ PHE A 7 13.069 4.161 -5.145 1.00 13.51 C ATOM 0 H PHE A 7 7.068 5.364 -8.033 1.00 62.10 H new ATOM 0 HA PHE A 7 9.680 4.654 -8.899 1.00 42.42 H new ATOM 0 HB2 PHE A 7 9.287 6.295 -7.113 1.00 22.12 H new ATOM 0 HB3 PHE A 7 8.496 5.083 -6.124 1.00 22.12 H new ATOM 0 HD1 PHE A 7 11.772 5.778 -7.802 1.00 21.32 H new ATOM 0 HD2 PHE A 7 9.765 3.866 -4.560 1.00 43.43 H new ATOM 0 HE1 PHE A 7 13.938 5.152 -6.828 1.00 74.11 H new ATOM 0 HE2 PHE A 7 11.931 3.247 -3.584 1.00 10.51 H new ATOM 0 HZ PHE A 7 14.022 3.888 -4.716 1.00 13.51 H new ATOM 105 N THR A 8 7.966 2.324 -7.299 1.00 4.54 N ATOM 106 CA THR A 8 7.963 0.888 -6.964 1.00 40.21 C ATOM 107 C THR A 8 8.255 0.028 -8.203 1.00 2.54 C ATOM 108 O THR A 8 9.194 -0.767 -8.219 1.00 54.33 O ATOM 109 CB THR A 8 6.611 0.440 -6.358 1.00 52.53 C ATOM 110 OG1 THR A 8 6.308 1.208 -5.185 1.00 35.02 O ATOM 111 CG2 THR A 8 6.625 -1.047 -6.002 1.00 4.51 C ATOM 0 H THR A 8 7.089 2.806 -7.102 1.00 4.54 H new ATOM 0 HA THR A 8 8.749 0.744 -6.223 1.00 40.21 H new ATOM 0 HB THR A 8 5.843 0.609 -7.112 1.00 52.53 H new ATOM 0 HG1 THR A 8 5.647 0.729 -4.642 1.00 35.02 H new ATOM 0 HG21 THR A 8 5.661 -1.329 -5.579 1.00 4.51 H new ATOM 0 HG22 THR A 8 6.813 -1.635 -6.901 1.00 4.51 H new ATOM 0 HG23 THR A 8 7.412 -1.239 -5.272 1.00 4.51 H new ATOM 119 N ARG A 9 7.450 0.211 -9.246 1.00 51.03 N ATOM 120 CA ARG A 9 7.638 -0.507 -10.517 1.00 42.14 C ATOM 121 C ARG A 9 9.002 -0.177 -11.158 1.00 71.23 C ATOM 122 O ARG A 9 9.621 -1.027 -11.798 1.00 31.22 O ATOM 123 CB ARG A 9 6.479 -0.177 -11.474 1.00 40.20 C ATOM 124 CG ARG A 9 6.180 1.316 -11.583 1.00 52.34 C ATOM 125 CD ARG A 9 4.864 1.590 -12.303 1.00 63.03 C ATOM 126 NE ARG A 9 4.920 1.213 -13.711 1.00 52.03 N ATOM 127 CZ ARG A 9 4.068 1.620 -14.608 1.00 3.52 C ATOM 128 NH1 ARG A 9 3.108 2.426 -14.291 1.00 23.54 N ATOM 129 NH2 ARG A 9 4.187 1.227 -15.832 1.00 41.42 N ATOM 0 H ARG A 9 6.656 0.852 -9.242 1.00 51.03 H new ATOM 0 HA ARG A 9 7.634 -1.578 -10.314 1.00 42.14 H new ATOM 0 HB2 ARG A 9 6.716 -0.564 -12.465 1.00 40.20 H new ATOM 0 HB3 ARG A 9 5.581 -0.695 -11.136 1.00 40.20 H new ATOM 0 HG2 ARG A 9 6.143 1.751 -10.584 1.00 52.34 H new ATOM 0 HG3 ARG A 9 6.993 1.809 -12.116 1.00 52.34 H new ATOM 0 HD2 ARG A 9 4.061 1.039 -11.812 1.00 63.03 H new ATOM 0 HD3 ARG A 9 4.620 2.649 -12.221 1.00 63.03 H new ATOM 0 HE ARG A 9 5.672 0.593 -14.011 1.00 52.03 H new ATOM 0 HH11 ARG A 9 3.011 2.751 -13.329 1.00 23.54 H new ATOM 0 HH12 ARG A 9 2.447 2.737 -15.003 1.00 23.54 H new ATOM 0 HH21 ARG A 9 4.947 0.599 -16.094 1.00 41.42 H new ATOM 0 HH22 ARG A 9 3.521 1.544 -16.537 1.00 41.42 H new ATOM 143 N TYR A 10 9.464 1.061 -10.972 1.00 23.52 N ATOM 144 CA TYR A 10 10.807 1.473 -11.410 1.00 53.10 C ATOM 145 C TYR A 10 11.899 0.674 -10.673 1.00 21.51 C ATOM 146 O TYR A 10 12.861 0.196 -11.281 1.00 21.02 O ATOM 147 CB TYR A 10 10.982 2.982 -11.158 1.00 13.31 C ATOM 148 CG TYR A 10 12.369 3.534 -11.449 1.00 22.21 C ATOM 149 CD1 TYR A 10 12.714 3.977 -12.723 1.00 52.33 C ATOM 150 CD2 TYR A 10 13.324 3.635 -10.441 1.00 2.05 C ATOM 151 CE1 TYR A 10 13.969 4.499 -12.982 1.00 0.03 C ATOM 152 CE2 TYR A 10 14.578 4.158 -10.693 1.00 51.45 C ATOM 153 CZ TYR A 10 14.896 4.587 -11.962 1.00 2.24 C ATOM 154 OH TYR A 10 16.143 5.118 -12.212 1.00 74.15 O ATOM 0 H TYR A 10 8.928 1.802 -10.519 1.00 23.52 H new ATOM 0 HA TYR A 10 10.909 1.267 -12.476 1.00 53.10 H new ATOM 0 HB2 TYR A 10 10.259 3.522 -11.769 1.00 13.31 H new ATOM 0 HB3 TYR A 10 10.737 3.190 -10.116 1.00 13.31 H new ATOM 0 HD1 TYR A 10 11.990 3.912 -13.522 1.00 52.33 H new ATOM 0 HD2 TYR A 10 13.080 3.299 -9.444 1.00 2.05 H new ATOM 0 HE1 TYR A 10 14.222 4.836 -13.976 1.00 0.03 H new ATOM 0 HE2 TYR A 10 15.305 4.230 -9.898 1.00 51.45 H new ATOM 0 HH TYR A 10 16.674 5.109 -11.388 1.00 74.15 H new ATOM 164 N ALA A 11 11.732 0.529 -9.359 1.00 32.01 N ATOM 165 CA ALA A 11 12.688 -0.202 -8.524 1.00 64.14 C ATOM 166 C ALA A 11 12.701 -1.701 -8.855 1.00 53.01 C ATOM 167 O ALA A 11 13.764 -2.296 -9.035 1.00 21.31 O ATOM 168 CB ALA A 11 12.368 0.015 -7.048 1.00 71.25 C ATOM 0 H ALA A 11 10.938 0.911 -8.845 1.00 32.01 H new ATOM 0 HA ALA A 11 13.683 0.189 -8.736 1.00 64.14 H new ATOM 0 HB1 ALA A 11 13.085 -0.533 -6.436 1.00 71.25 H new ATOM 0 HB2 ALA A 11 12.429 1.078 -6.815 1.00 71.25 H new ATOM 0 HB3 ALA A 11 11.361 -0.345 -6.837 1.00 71.25 H new ATOM 174 N LEU A 12 11.514 -2.305 -8.947 1.00 74.31 N ATOM 175 CA LEU A 12 11.390 -3.733 -9.274 1.00 21.22 C ATOM 176 C LEU A 12 12.070 -4.076 -10.608 1.00 45.10 C ATOM 177 O LEU A 12 12.565 -5.191 -10.790 1.00 63.42 O ATOM 178 CB LEU A 12 9.914 -4.167 -9.299 1.00 71.24 C ATOM 179 CG LEU A 12 9.335 -4.639 -7.950 1.00 52.45 C ATOM 180 CD1 LEU A 12 10.058 -5.894 -7.461 1.00 61.15 C ATOM 181 CD2 LEU A 12 9.409 -3.531 -6.899 1.00 41.04 C ATOM 0 H LEU A 12 10.623 -1.830 -8.800 1.00 74.31 H new ATOM 0 HA LEU A 12 11.903 -4.286 -8.488 1.00 21.22 H new ATOM 0 HB2 LEU A 12 9.314 -3.331 -9.659 1.00 71.24 H new ATOM 0 HB3 LEU A 12 9.803 -4.974 -10.024 1.00 71.24 H new ATOM 0 HG LEU A 12 8.284 -4.885 -8.105 1.00 52.45 H new ATOM 0 HD11 LEU A 12 9.634 -6.210 -6.508 1.00 61.15 H new ATOM 0 HD12 LEU A 12 9.938 -6.692 -8.194 1.00 61.15 H new ATOM 0 HD13 LEU A 12 11.118 -5.676 -7.332 1.00 61.15 H new ATOM 0 HD21 LEU A 12 8.994 -3.893 -5.959 1.00 41.04 H new ATOM 0 HD22 LEU A 12 10.449 -3.241 -6.749 1.00 41.04 H new ATOM 0 HD23 LEU A 12 8.837 -2.668 -7.240 1.00 41.04 H new ATOM 193 N ALA A 13 12.090 -3.126 -11.540 1.00 50.51 N ATOM 194 CA ALA A 13 12.819 -3.303 -12.800 1.00 64.14 C ATOM 195 C ALA A 13 14.319 -3.521 -12.538 1.00 24.41 C ATOM 196 O ALA A 13 14.929 -4.451 -13.068 1.00 20.32 O ATOM 197 CB ALA A 13 12.598 -2.098 -13.707 1.00 4.42 C ATOM 0 H ALA A 13 11.613 -2.229 -11.450 1.00 50.51 H new ATOM 0 HA ALA A 13 12.435 -4.191 -13.302 1.00 64.14 H new ATOM 0 HB1 ALA A 13 13.144 -2.240 -14.640 1.00 4.42 H new ATOM 0 HB2 ALA A 13 11.534 -1.994 -13.921 1.00 4.42 H new ATOM 0 HB3 ALA A 13 12.958 -1.197 -13.210 1.00 4.42 H new ATOM 203 N GLN A 14 14.895 -2.668 -11.692 1.00 64.34 N ATOM 204 CA GLN A 14 16.302 -2.792 -11.295 1.00 74.25 C ATOM 205 C GLN A 14 16.540 -4.080 -10.486 1.00 61.01 C ATOM 206 O GLN A 14 17.584 -4.725 -10.613 1.00 51.33 O ATOM 207 CB GLN A 14 16.728 -1.562 -10.484 1.00 23.24 C ATOM 208 CG GLN A 14 16.635 -0.253 -11.267 1.00 71.02 C ATOM 209 CD GLN A 14 17.008 0.962 -10.432 1.00 24.10 C ATOM 210 OE1 GLN A 14 16.795 0.991 -9.227 1.00 3.24 O ATOM 211 NE2 GLN A 14 17.579 1.969 -11.063 1.00 10.33 N ATOM 0 H GLN A 14 14.409 -1.879 -11.265 1.00 64.34 H new ATOM 0 HA GLN A 14 16.909 -2.850 -12.198 1.00 74.25 H new ATOM 0 HB2 GLN A 14 16.103 -1.489 -9.594 1.00 23.24 H new ATOM 0 HB3 GLN A 14 17.754 -1.700 -10.142 1.00 23.24 H new ATOM 0 HG2 GLN A 14 17.292 -0.307 -12.135 1.00 71.02 H new ATOM 0 HG3 GLN A 14 15.619 -0.132 -11.643 1.00 71.02 H new ATOM 0 HE21 GLN A 14 17.743 1.914 -12.068 1.00 10.33 H new ATOM 0 HE22 GLN A 14 17.857 2.803 -10.546 1.00 10.33 H new ATOM 220 N GLU A 15 15.563 -4.448 -9.656 1.00 13.31 N ATOM 221 CA GLU A 15 15.605 -5.718 -8.921 1.00 54.44 C ATOM 222 C GLU A 15 15.676 -6.905 -9.896 1.00 71.52 C ATOM 223 O GLU A 15 16.458 -7.836 -9.706 1.00 12.24 O ATOM 224 CB GLU A 15 14.366 -5.854 -8.025 1.00 3.22 C ATOM 225 CG GLU A 15 14.229 -4.754 -6.973 1.00 33.43 C ATOM 226 CD GLU A 15 15.289 -4.824 -5.881 1.00 22.15 C ATOM 227 OE1 GLU A 15 15.104 -5.597 -4.917 1.00 1.21 O ATOM 228 OE2 GLU A 15 16.304 -4.094 -5.969 1.00 52.41 O ATOM 0 H GLU A 15 14.731 -3.886 -9.474 1.00 13.31 H new ATOM 0 HA GLU A 15 16.499 -5.723 -8.297 1.00 54.44 H new ATOM 0 HB2 GLU A 15 13.475 -5.853 -8.653 1.00 3.22 H new ATOM 0 HB3 GLU A 15 14.400 -6.820 -7.522 1.00 3.22 H new ATOM 0 HG2 GLU A 15 14.288 -3.783 -7.464 1.00 33.43 H new ATOM 0 HG3 GLU A 15 13.242 -4.820 -6.515 1.00 33.43 H new ATOM 235 N HIS A 16 14.859 -6.856 -10.950 1.00 34.40 N ATOM 236 CA HIS A 16 14.872 -7.891 -11.988 1.00 20.41 C ATOM 237 C HIS A 16 16.255 -8.008 -12.649 1.00 61.41 C ATOM 238 O HIS A 16 16.703 -9.111 -12.964 1.00 51.24 O ATOM 239 CB HIS A 16 13.798 -7.616 -13.052 1.00 51.21 C ATOM 240 CG HIS A 16 12.413 -8.029 -12.641 1.00 0.20 C ATOM 241 ND1 HIS A 16 12.057 -9.343 -12.416 1.00 13.42 N ATOM 242 CD2 HIS A 16 11.288 -7.303 -12.438 1.00 1.11 C ATOM 243 CE1 HIS A 16 10.780 -9.406 -12.101 1.00 53.34 C ATOM 244 NE2 HIS A 16 10.290 -8.184 -12.107 1.00 51.43 N ATOM 0 H HIS A 16 14.180 -6.111 -11.108 1.00 34.40 H new ATOM 0 HA HIS A 16 14.647 -8.840 -11.502 1.00 20.41 H new ATOM 0 HB2 HIS A 16 13.795 -6.551 -13.284 1.00 51.21 H new ATOM 0 HB3 HIS A 16 14.066 -8.141 -13.969 1.00 51.21 H new ATOM 0 HD1 HIS A 16 12.686 -10.143 -12.483 1.00 13.42 H new ATOM 0 HD2 HIS A 16 11.194 -6.230 -12.521 1.00 1.11 H new ATOM 0 HE1 HIS A 16 10.228 -10.307 -11.876 1.00 53.34 H new ATOM 253 N LEU A 17 16.924 -6.871 -12.857 1.00 74.11 N ATOM 254 CA LEU A 17 18.299 -6.865 -13.381 1.00 72.32 C ATOM 255 C LEU A 17 19.229 -7.701 -12.486 1.00 32.02 C ATOM 256 O LEU A 17 20.078 -8.451 -12.975 1.00 33.24 O ATOM 257 CB LEU A 17 18.826 -5.425 -13.491 1.00 1.23 C ATOM 258 CG LEU A 17 18.077 -4.522 -14.487 1.00 34.30 C ATOM 259 CD1 LEU A 17 18.625 -3.097 -14.440 1.00 52.31 C ATOM 260 CD2 LEU A 17 18.170 -5.087 -15.905 1.00 63.32 C ATOM 0 H LEU A 17 16.541 -5.944 -12.672 1.00 74.11 H new ATOM 0 HA LEU A 17 18.284 -7.311 -14.375 1.00 72.32 H new ATOM 0 HB2 LEU A 17 18.782 -4.964 -12.504 1.00 1.23 H new ATOM 0 HB3 LEU A 17 19.877 -5.462 -13.779 1.00 1.23 H new ATOM 0 HG LEU A 17 17.026 -4.495 -14.198 1.00 34.30 H new ATOM 0 HD11 LEU A 17 18.082 -2.475 -15.151 1.00 52.31 H new ATOM 0 HD12 LEU A 17 18.501 -2.692 -13.435 1.00 52.31 H new ATOM 0 HD13 LEU A 17 19.684 -3.106 -14.699 1.00 52.31 H new ATOM 0 HD21 LEU A 17 17.634 -4.433 -16.593 1.00 63.32 H new ATOM 0 HD22 LEU A 17 19.216 -5.149 -16.204 1.00 63.32 H new ATOM 0 HD23 LEU A 17 17.726 -6.082 -15.930 1.00 63.32 H new ATOM 272 N LYS A 18 19.046 -7.577 -11.172 1.00 3.31 N ATOM 273 CA LYS A 18 19.803 -8.374 -10.195 1.00 30.43 C ATOM 274 C LYS A 18 19.534 -9.879 -10.358 1.00 72.21 C ATOM 275 O LYS A 18 20.393 -10.711 -10.067 1.00 43.01 O ATOM 276 CB LYS A 18 19.441 -7.945 -8.766 1.00 32.21 C ATOM 277 CG LYS A 18 19.874 -6.528 -8.412 1.00 64.44 C ATOM 278 CD LYS A 18 19.420 -6.139 -7.006 1.00 74.04 C ATOM 279 CE LYS A 18 20.091 -4.861 -6.527 1.00 34.35 C ATOM 280 NZ LYS A 18 21.569 -5.011 -6.458 1.00 54.53 N ATOM 0 H LYS A 18 18.378 -6.930 -10.753 1.00 3.31 H new ATOM 0 HA LYS A 18 20.862 -8.194 -10.379 1.00 30.43 H new ATOM 0 HB2 LYS A 18 18.362 -8.026 -8.636 1.00 32.21 H new ATOM 0 HB3 LYS A 18 19.900 -8.640 -8.063 1.00 32.21 H new ATOM 0 HG2 LYS A 18 20.959 -6.450 -8.480 1.00 64.44 H new ATOM 0 HG3 LYS A 18 19.458 -5.828 -9.137 1.00 64.44 H new ATOM 0 HD2 LYS A 18 18.338 -6.006 -6.998 1.00 74.04 H new ATOM 0 HD3 LYS A 18 19.647 -6.950 -6.314 1.00 74.04 H new ATOM 0 HE2 LYS A 18 19.839 -4.042 -7.201 1.00 34.35 H new ATOM 0 HE3 LYS A 18 19.706 -4.594 -5.543 1.00 34.35 H new ATOM 0 HZ1 LYS A 18 21.958 -4.315 -5.790 1.00 54.53 H new ATOM 0 HZ2 LYS A 18 21.806 -5.971 -6.135 1.00 54.53 H new ATOM 0 HZ3 LYS A 18 21.978 -4.852 -7.401 1.00 54.53 H new ATOM 294 N HIS A 19 18.331 -10.221 -10.818 1.00 64.24 N ATOM 295 CA HIS A 19 17.929 -11.625 -10.990 1.00 63.30 C ATOM 296 C HIS A 19 18.015 -12.070 -12.465 1.00 33.45 C ATOM 297 O HIS A 19 17.348 -13.024 -12.872 1.00 42.01 O ATOM 298 CB HIS A 19 16.505 -11.824 -10.450 1.00 3.12 C ATOM 299 CG HIS A 19 16.386 -11.580 -8.972 1.00 32.23 C ATOM 300 ND1 HIS A 19 16.542 -12.573 -8.031 1.00 20.21 N ATOM 301 CD2 HIS A 19 16.130 -10.448 -8.270 1.00 71.43 C ATOM 302 CE1 HIS A 19 16.389 -12.068 -6.825 1.00 34.41 C ATOM 303 NE2 HIS A 19 16.139 -10.782 -6.938 1.00 1.53 N ATOM 0 H HIS A 19 17.613 -9.546 -11.080 1.00 64.24 H new ATOM 0 HA HIS A 19 18.623 -12.248 -10.425 1.00 63.30 H new ATOM 0 HB2 HIS A 19 15.828 -11.152 -10.977 1.00 3.12 H new ATOM 0 HB3 HIS A 19 16.180 -12.841 -10.670 1.00 3.12 H new ATOM 0 HD2 HIS A 19 15.952 -9.466 -8.682 1.00 71.43 H new ATOM 0 HE1 HIS A 19 16.457 -12.618 -5.898 1.00 34.41 H new ATOM 0 HE2 HIS A 19 15.978 -10.138 -6.163 1.00 1.53 H new ATOM 312 N ASP A 20 18.842 -11.368 -13.252 1.00 25.31 N ATOM 313 CA ASP A 20 19.096 -11.717 -14.662 1.00 53.43 C ATOM 314 C ASP A 20 17.850 -11.513 -15.558 1.00 15.11 C ATOM 315 O ASP A 20 17.870 -11.818 -16.751 1.00 73.32 O ATOM 316 CB ASP A 20 19.617 -13.163 -14.756 1.00 1.30 C ATOM 317 CG ASP A 20 20.085 -13.538 -16.152 1.00 4.42 C ATOM 318 OD1 ASP A 20 21.097 -12.975 -16.620 1.00 70.14 O ATOM 319 OD2 ASP A 20 19.457 -14.412 -16.784 1.00 53.24 O ATOM 0 H ASP A 20 19.353 -10.545 -12.933 1.00 25.31 H new ATOM 0 HA ASP A 20 19.858 -11.036 -15.040 1.00 53.43 H new ATOM 0 HB2 ASP A 20 20.442 -13.292 -14.056 1.00 1.30 H new ATOM 0 HB3 ASP A 20 18.827 -13.848 -14.448 1.00 1.30 H new ATOM 324 N ASN A 21 16.779 -10.966 -14.991 1.00 12.14 N ATOM 325 CA ASN A 21 15.543 -10.709 -15.744 1.00 24.13 C ATOM 326 C ASN A 21 15.643 -9.401 -16.555 1.00 74.13 C ATOM 327 O ASN A 21 14.763 -8.541 -16.473 1.00 63.45 O ATOM 328 CB ASN A 21 14.351 -10.636 -14.781 1.00 5.12 C ATOM 329 CG ASN A 21 14.081 -11.942 -14.051 1.00 15.05 C ATOM 330 OD1 ASN A 21 13.720 -11.942 -12.879 1.00 54.31 O ATOM 331 ND2 ASN A 21 14.209 -13.057 -14.739 1.00 72.32 N ATOM 0 H ASN A 21 16.736 -10.689 -14.010 1.00 12.14 H new ATOM 0 HA ASN A 21 15.396 -11.531 -16.444 1.00 24.13 H new ATOM 0 HB2 ASN A 21 14.534 -9.850 -14.048 1.00 5.12 H new ATOM 0 HB3 ASN A 21 13.460 -10.350 -15.339 1.00 5.12 H new ATOM 0 HD21 ASN A 21 14.006 -13.954 -14.299 1.00 72.32 H new ATOM 0 HD22 ASN A 21 14.511 -13.024 -15.713 1.00 72.32 H new ATOM 338 N ALA A 22 16.706 -9.269 -17.350 1.00 22.03 N ATOM 339 CA ALA A 22 16.948 -8.056 -18.144 1.00 42.32 C ATOM 340 C ALA A 22 15.775 -7.747 -19.085 1.00 3.25 C ATOM 341 O ALA A 22 15.305 -6.610 -19.159 1.00 1.23 O ATOM 342 CB ALA A 22 18.242 -8.203 -18.939 1.00 32.10 C ATOM 0 H ALA A 22 17.419 -9.990 -17.464 1.00 22.03 H new ATOM 0 HA ALA A 22 17.042 -7.218 -17.453 1.00 42.32 H new ATOM 0 HB1 ALA A 22 18.414 -7.300 -19.525 1.00 32.10 H new ATOM 0 HB2 ALA A 22 19.075 -8.355 -18.253 1.00 32.10 H new ATOM 0 HB3 ALA A 22 18.163 -9.060 -19.608 1.00 32.10 H new ATOM 348 N SER A 23 15.296 -8.768 -19.791 1.00 61.53 N ATOM 349 CA SER A 23 14.171 -8.608 -20.725 1.00 70.45 C ATOM 350 C SER A 23 12.892 -8.169 -19.996 1.00 31.04 C ATOM 351 O SER A 23 12.133 -7.334 -20.494 1.00 4.25 O ATOM 352 CB SER A 23 13.903 -9.920 -21.470 1.00 54.31 C ATOM 353 OG SER A 23 13.564 -10.959 -20.563 1.00 13.34 O ATOM 0 H SER A 23 15.665 -9.717 -19.738 1.00 61.53 H new ATOM 0 HA SER A 23 14.448 -7.831 -21.438 1.00 70.45 H new ATOM 0 HB2 SER A 23 13.093 -9.778 -22.185 1.00 54.31 H new ATOM 0 HB3 SER A 23 14.786 -10.205 -22.042 1.00 54.31 H new ATOM 0 HG SER A 23 13.396 -11.786 -21.061 1.00 13.34 H new ATOM 359 N ARG A 24 12.659 -8.741 -18.814 1.00 2.12 N ATOM 360 CA ARG A 24 11.488 -8.393 -18.000 1.00 52.15 C ATOM 361 C ARG A 24 11.598 -6.971 -17.433 1.00 42.42 C ATOM 362 O ARG A 24 10.599 -6.259 -17.321 1.00 72.25 O ATOM 363 CB ARG A 24 11.301 -9.421 -16.872 1.00 53.02 C ATOM 364 CG ARG A 24 10.997 -10.823 -17.392 1.00 13.14 C ATOM 365 CD ARG A 24 9.719 -10.840 -18.226 1.00 4.15 C ATOM 366 NE ARG A 24 9.535 -12.095 -18.950 1.00 73.02 N ATOM 367 CZ ARG A 24 8.662 -12.261 -19.912 1.00 25.10 C ATOM 368 NH1 ARG A 24 7.861 -11.302 -20.250 1.00 54.14 N ATOM 369 NH2 ARG A 24 8.579 -13.395 -20.525 1.00 42.43 N ATOM 0 H ARG A 24 13.264 -9.448 -18.397 1.00 2.12 H new ATOM 0 HA ARG A 24 10.609 -8.417 -18.645 1.00 52.15 H new ATOM 0 HB2 ARG A 24 12.204 -9.453 -16.263 1.00 53.02 H new ATOM 0 HB3 ARG A 24 10.489 -9.096 -16.222 1.00 53.02 H new ATOM 0 HG2 ARG A 24 11.832 -11.178 -17.995 1.00 13.14 H new ATOM 0 HG3 ARG A 24 10.895 -11.510 -16.552 1.00 13.14 H new ATOM 0 HD2 ARG A 24 8.862 -10.673 -17.574 1.00 4.15 H new ATOM 0 HD3 ARG A 24 9.744 -10.015 -18.938 1.00 4.15 H new ATOM 0 HE ARG A 24 10.121 -12.889 -18.691 1.00 73.02 H new ATOM 0 HH11 ARG A 24 7.906 -10.406 -19.766 1.00 54.14 H new ATOM 0 HH12 ARG A 24 7.185 -11.443 -21.001 1.00 54.14 H new ATOM 0 HH21 ARG A 24 9.194 -14.164 -20.260 1.00 42.43 H new ATOM 0 HH22 ARG A 24 7.898 -13.521 -21.274 1.00 42.43 H new ATOM 383 N ALA A 25 12.816 -6.561 -17.083 1.00 52.24 N ATOM 384 CA ALA A 25 13.073 -5.179 -16.671 1.00 41.01 C ATOM 385 C ALA A 25 12.766 -4.211 -17.823 1.00 31.31 C ATOM 386 O ALA A 25 12.121 -3.179 -17.634 1.00 21.50 O ATOM 387 CB ALA A 25 14.519 -5.026 -16.211 1.00 20.43 C ATOM 0 H ALA A 25 13.639 -7.163 -17.076 1.00 52.24 H new ATOM 0 HA ALA A 25 12.417 -4.935 -15.835 1.00 41.01 H new ATOM 0 HB1 ALA A 25 14.697 -3.994 -15.908 1.00 20.43 H new ATOM 0 HB2 ALA A 25 14.704 -5.690 -15.367 1.00 20.43 H new ATOM 0 HB3 ALA A 25 15.191 -5.284 -17.030 1.00 20.43 H new ATOM 393 N LEU A 26 13.230 -4.574 -19.021 1.00 31.52 N ATOM 394 CA LEU A 26 12.950 -3.814 -20.244 1.00 53.10 C ATOM 395 C LEU A 26 11.438 -3.611 -20.435 1.00 21.43 C ATOM 396 O LEU A 26 10.972 -2.492 -20.652 1.00 74.24 O ATOM 397 CB LEU A 26 13.546 -4.551 -21.457 1.00 73.15 C ATOM 398 CG LEU A 26 13.380 -3.854 -22.819 1.00 53.55 C ATOM 399 CD1 LEU A 26 14.080 -2.501 -22.825 1.00 53.35 C ATOM 400 CD2 LEU A 26 13.916 -4.736 -23.942 1.00 23.25 C ATOM 0 H LEU A 26 13.809 -5.400 -19.172 1.00 31.52 H new ATOM 0 HA LEU A 26 13.411 -2.830 -20.155 1.00 53.10 H new ATOM 0 HB2 LEU A 26 14.610 -4.704 -21.277 1.00 73.15 H new ATOM 0 HB3 LEU A 26 13.088 -5.538 -21.518 1.00 73.15 H new ATOM 0 HG LEU A 26 12.316 -3.688 -22.987 1.00 53.55 H new ATOM 0 HD11 LEU A 26 13.949 -2.028 -23.798 1.00 53.35 H new ATOM 0 HD12 LEU A 26 13.650 -1.865 -22.051 1.00 53.35 H new ATOM 0 HD13 LEU A 26 15.143 -2.641 -22.630 1.00 53.35 H new ATOM 0 HD21 LEU A 26 13.790 -4.226 -24.897 1.00 23.25 H new ATOM 0 HD22 LEU A 26 14.974 -4.936 -23.774 1.00 23.25 H new ATOM 0 HD23 LEU A 26 13.367 -5.678 -23.958 1.00 23.25 H new ATOM 412 N ALA A 27 10.681 -4.700 -20.323 1.00 42.13 N ATOM 413 CA ALA A 27 9.221 -4.651 -20.460 1.00 63.24 C ATOM 414 C ALA A 27 8.578 -3.686 -19.449 1.00 51.44 C ATOM 415 O ALA A 27 7.628 -2.973 -19.777 1.00 11.50 O ATOM 416 CB ALA A 27 8.635 -6.047 -20.304 1.00 51.42 C ATOM 0 H ALA A 27 11.053 -5.632 -20.137 1.00 42.13 H new ATOM 0 HA ALA A 27 8.996 -4.273 -21.457 1.00 63.24 H new ATOM 0 HB1 ALA A 27 7.551 -6.000 -20.407 1.00 51.42 H new ATOM 0 HB2 ALA A 27 9.045 -6.702 -21.073 1.00 51.42 H new ATOM 0 HB3 ALA A 27 8.889 -6.440 -19.320 1.00 51.42 H new ATOM 422 N LEU A 28 9.092 -3.670 -18.218 1.00 42.41 N ATOM 423 CA LEU A 28 8.592 -2.747 -17.188 1.00 54.51 C ATOM 424 C LEU A 28 8.850 -1.279 -17.572 1.00 43.04 C ATOM 425 O LEU A 28 8.001 -0.413 -17.350 1.00 5.31 O ATOM 426 CB LEU A 28 9.227 -3.058 -15.825 1.00 61.51 C ATOM 427 CG LEU A 28 8.848 -4.421 -15.219 1.00 35.51 C ATOM 428 CD1 LEU A 28 9.537 -4.624 -13.873 1.00 40.04 C ATOM 429 CD2 LEU A 28 7.330 -4.548 -15.076 1.00 53.24 C ATOM 0 H LEU A 28 9.849 -4.279 -17.908 1.00 42.41 H new ATOM 0 HA LEU A 28 7.514 -2.892 -17.115 1.00 54.51 H new ATOM 0 HB2 LEU A 28 10.311 -3.014 -15.929 1.00 61.51 H new ATOM 0 HB3 LEU A 28 8.942 -2.275 -15.123 1.00 61.51 H new ATOM 0 HG LEU A 28 9.191 -5.202 -15.898 1.00 35.51 H new ATOM 0 HD11 LEU A 28 9.255 -5.594 -13.463 1.00 40.04 H new ATOM 0 HD12 LEU A 28 10.618 -4.588 -14.008 1.00 40.04 H new ATOM 0 HD13 LEU A 28 9.231 -3.836 -13.185 1.00 40.04 H new ATOM 0 HD21 LEU A 28 7.085 -5.519 -14.646 1.00 53.24 H new ATOM 0 HD22 LEU A 28 6.959 -3.758 -14.423 1.00 53.24 H new ATOM 0 HD23 LEU A 28 6.863 -4.458 -16.057 1.00 53.24 H new ATOM 441 N PHE A 29 10.017 -1.002 -18.153 1.00 74.03 N ATOM 442 CA PHE A 29 10.335 0.352 -18.624 1.00 31.31 C ATOM 443 C PHE A 29 9.450 0.747 -19.817 1.00 12.24 C ATOM 444 O PHE A 29 8.902 1.849 -19.858 1.00 32.23 O ATOM 445 CB PHE A 29 11.816 0.470 -19.003 1.00 73.53 C ATOM 446 CG PHE A 29 12.757 0.448 -17.822 1.00 31.32 C ATOM 447 CD1 PHE A 29 12.740 1.474 -16.887 1.00 64.53 C ATOM 448 CD2 PHE A 29 13.666 -0.588 -17.653 1.00 33.01 C ATOM 449 CE1 PHE A 29 13.606 1.467 -15.811 1.00 40.43 C ATOM 450 CE2 PHE A 29 14.534 -0.600 -16.577 1.00 24.24 C ATOM 451 CZ PHE A 29 14.504 0.429 -15.655 1.00 14.25 C ATOM 0 H PHE A 29 10.755 -1.689 -18.309 1.00 74.03 H new ATOM 0 HA PHE A 29 10.132 1.039 -17.803 1.00 31.31 H new ATOM 0 HB2 PHE A 29 12.074 -0.348 -19.675 1.00 73.53 H new ATOM 0 HB3 PHE A 29 11.966 1.397 -19.556 1.00 73.53 H new ATOM 0 HD1 PHE A 29 12.040 2.289 -17.002 1.00 64.53 H new ATOM 0 HD2 PHE A 29 13.695 -1.394 -18.371 1.00 33.01 H new ATOM 0 HE1 PHE A 29 13.581 2.273 -15.092 1.00 40.43 H new ATOM 0 HE2 PHE A 29 15.235 -1.413 -16.457 1.00 24.24 H new ATOM 0 HZ PHE A 29 15.181 0.422 -14.814 1.00 14.25 H new ATOM 461 N GLU A 30 9.304 -0.159 -20.784 1.00 54.11 N ATOM 462 CA GLU A 30 8.419 0.079 -21.932 1.00 61.43 C ATOM 463 C GLU A 30 6.964 0.273 -21.461 1.00 2.40 C ATOM 464 O GLU A 30 6.194 1.027 -22.061 1.00 42.12 O ATOM 465 CB GLU A 30 8.521 -1.082 -22.939 1.00 12.40 C ATOM 466 CG GLU A 30 9.936 -1.299 -23.481 1.00 15.22 C ATOM 467 CD GLU A 30 10.025 -2.432 -24.497 1.00 31.10 C ATOM 468 OE1 GLU A 30 9.964 -3.611 -24.089 1.00 10.40 O ATOM 469 OE2 GLU A 30 10.167 -2.150 -25.708 1.00 42.44 O ATOM 0 H GLU A 30 9.782 -1.060 -20.799 1.00 54.11 H new ATOM 0 HA GLU A 30 8.737 0.993 -22.433 1.00 61.43 H new ATOM 0 HB2 GLU A 30 8.180 -1.999 -22.459 1.00 12.40 H new ATOM 0 HB3 GLU A 30 7.847 -0.889 -23.773 1.00 12.40 H new ATOM 0 HG2 GLU A 30 10.286 -0.376 -23.944 1.00 15.22 H new ATOM 0 HG3 GLU A 30 10.607 -1.512 -22.649 1.00 15.22 H new ATOM 476 N GLU A 31 6.607 -0.407 -20.372 1.00 64.13 N ATOM 477 CA GLU A 31 5.313 -0.210 -19.706 1.00 14.02 C ATOM 478 C GLU A 31 5.217 1.194 -19.079 1.00 42.12 C ATOM 479 O GLU A 31 4.201 1.879 -19.207 1.00 54.10 O ATOM 480 CB GLU A 31 5.123 -1.278 -18.621 1.00 75.41 C ATOM 481 CG GLU A 31 3.811 -1.163 -17.853 1.00 11.24 C ATOM 482 CD GLU A 31 3.700 -2.183 -16.730 1.00 14.11 C ATOM 483 OE1 GLU A 31 4.145 -1.886 -15.602 1.00 13.13 O ATOM 484 OE2 GLU A 31 3.180 -3.292 -16.980 1.00 42.01 O ATOM 0 H GLU A 31 7.200 -1.107 -19.926 1.00 64.13 H new ATOM 0 HA GLU A 31 4.526 -0.302 -20.454 1.00 14.02 H new ATOM 0 HB2 GLU A 31 5.175 -2.263 -19.084 1.00 75.41 H new ATOM 0 HB3 GLU A 31 5.951 -1.214 -17.915 1.00 75.41 H new ATOM 0 HG2 GLU A 31 3.724 -0.159 -17.437 1.00 11.24 H new ATOM 0 HG3 GLU A 31 2.978 -1.295 -18.543 1.00 11.24 H new ATOM 491 N LEU A 32 6.282 1.609 -18.395 1.00 12.31 N ATOM 492 CA LEU A 32 6.361 2.953 -17.803 1.00 15.20 C ATOM 493 C LEU A 32 6.140 4.054 -18.857 1.00 21.15 C ATOM 494 O LEU A 32 5.525 5.077 -18.574 1.00 12.14 O ATOM 495 CB LEU A 32 7.722 3.139 -17.112 1.00 74.14 C ATOM 496 CG LEU A 32 7.849 2.505 -15.714 1.00 72.01 C ATOM 497 CD1 LEU A 32 9.314 2.389 -15.293 1.00 51.53 C ATOM 498 CD2 LEU A 32 7.063 3.325 -14.692 1.00 14.13 C ATOM 0 H LEU A 32 7.109 1.034 -18.234 1.00 12.31 H new ATOM 0 HA LEU A 32 5.564 3.043 -17.065 1.00 15.20 H new ATOM 0 HB2 LEU A 32 8.496 2.719 -17.754 1.00 74.14 H new ATOM 0 HB3 LEU A 32 7.924 4.207 -17.027 1.00 74.14 H new ATOM 0 HG LEU A 32 7.432 1.499 -15.756 1.00 72.01 H new ATOM 0 HD11 LEU A 32 9.373 1.938 -14.302 1.00 51.53 H new ATOM 0 HD12 LEU A 32 9.850 1.765 -16.008 1.00 51.53 H new ATOM 0 HD13 LEU A 32 9.765 3.381 -15.268 1.00 51.53 H new ATOM 0 HD21 LEU A 32 7.160 2.868 -13.707 1.00 14.13 H new ATOM 0 HD22 LEU A 32 7.456 4.341 -14.661 1.00 14.13 H new ATOM 0 HD23 LEU A 32 6.012 3.352 -14.978 1.00 14.13 H new ATOM 510 N VAL A 33 6.638 3.826 -20.071 1.00 61.12 N ATOM 511 CA VAL A 33 6.475 4.781 -21.178 1.00 41.43 C ATOM 512 C VAL A 33 4.991 5.028 -21.524 1.00 23.22 C ATOM 513 O VAL A 33 4.572 6.169 -21.720 1.00 22.05 O ATOM 514 CB VAL A 33 7.219 4.288 -22.450 1.00 74.33 C ATOM 515 CG1 VAL A 33 6.982 5.233 -23.631 1.00 51.44 C ATOM 516 CG2 VAL A 33 8.714 4.137 -22.171 1.00 4.31 C ATOM 0 H VAL A 33 7.161 2.986 -20.319 1.00 61.12 H new ATOM 0 HA VAL A 33 6.909 5.722 -20.839 1.00 41.43 H new ATOM 0 HB VAL A 33 6.816 3.311 -22.719 1.00 74.33 H new ATOM 0 HG11 VAL A 33 7.515 4.862 -24.506 1.00 51.44 H new ATOM 0 HG12 VAL A 33 5.915 5.282 -23.849 1.00 51.44 H new ATOM 0 HG13 VAL A 33 7.347 6.229 -23.379 1.00 51.44 H new ATOM 0 HG21 VAL A 33 9.219 3.791 -23.073 1.00 4.31 H new ATOM 0 HG22 VAL A 33 9.127 5.100 -21.870 1.00 4.31 H new ATOM 0 HG23 VAL A 33 8.863 3.412 -21.371 1.00 4.31 H new ATOM 526 N GLU A 34 4.204 3.954 -21.598 1.00 10.53 N ATOM 527 CA GLU A 34 2.789 4.052 -21.995 1.00 52.53 C ATOM 528 C GLU A 34 1.876 4.478 -20.831 1.00 45.50 C ATOM 529 O GLU A 34 0.856 5.136 -21.044 1.00 12.00 O ATOM 530 CB GLU A 34 2.313 2.715 -22.591 1.00 42.03 C ATOM 531 CG GLU A 34 2.531 1.514 -21.675 1.00 61.34 C ATOM 532 CD GLU A 34 2.210 0.186 -22.344 1.00 2.44 C ATOM 533 OE1 GLU A 34 2.865 -0.149 -23.355 1.00 11.01 O ATOM 534 OE2 GLU A 34 1.307 -0.530 -21.866 1.00 12.24 O ATOM 0 H GLU A 34 4.517 3.006 -21.390 1.00 10.53 H new ATOM 0 HA GLU A 34 2.720 4.833 -22.752 1.00 52.53 H new ATOM 0 HB2 GLU A 34 1.251 2.791 -22.826 1.00 42.03 H new ATOM 0 HB3 GLU A 34 2.836 2.541 -23.531 1.00 42.03 H new ATOM 0 HG2 GLU A 34 3.568 1.504 -21.340 1.00 61.34 H new ATOM 0 HG3 GLU A 34 1.910 1.625 -20.786 1.00 61.34 H new ATOM 541 N THR A 35 2.239 4.105 -19.605 1.00 45.05 N ATOM 542 CA THR A 35 1.435 4.454 -18.422 1.00 2.41 C ATOM 543 C THR A 35 1.802 5.836 -17.866 1.00 51.14 C ATOM 544 O THR A 35 0.926 6.626 -17.520 1.00 11.43 O ATOM 545 CB THR A 35 1.590 3.412 -17.292 1.00 52.04 C ATOM 546 OG1 THR A 35 2.966 3.317 -16.885 1.00 54.12 O ATOM 547 CG2 THR A 35 1.091 2.042 -17.743 1.00 73.00 C ATOM 0 H THR A 35 3.079 3.564 -19.399 1.00 45.05 H new ATOM 0 HA THR A 35 0.399 4.467 -18.762 1.00 2.41 H new ATOM 0 HB THR A 35 0.987 3.741 -16.445 1.00 52.04 H new ATOM 0 HG1 THR A 35 3.161 4.014 -16.224 1.00 54.12 H new ATOM 0 HG21 THR A 35 1.211 1.326 -16.930 1.00 73.00 H new ATOM 0 HG22 THR A 35 0.038 2.110 -18.015 1.00 73.00 H new ATOM 0 HG23 THR A 35 1.668 1.711 -18.606 1.00 73.00 H new ATOM 555 N ASP A 36 3.099 6.121 -17.780 1.00 23.13 N ATOM 556 CA ASP A 36 3.587 7.417 -17.288 1.00 63.10 C ATOM 557 C ASP A 36 4.475 8.109 -18.347 1.00 24.12 C ATOM 558 O ASP A 36 5.704 8.106 -18.242 1.00 41.43 O ATOM 559 CB ASP A 36 4.369 7.224 -15.979 1.00 52.35 C ATOM 560 CG ASP A 36 3.519 6.614 -14.877 1.00 50.02 C ATOM 561 OD1 ASP A 36 3.355 5.375 -14.861 1.00 35.15 O ATOM 562 OD2 ASP A 36 3.014 7.370 -14.018 1.00 60.25 O ATOM 0 H ASP A 36 3.839 5.471 -18.045 1.00 23.13 H new ATOM 0 HA ASP A 36 2.727 8.058 -17.095 1.00 63.10 H new ATOM 0 HB2 ASP A 36 5.231 6.583 -16.166 1.00 52.35 H new ATOM 0 HB3 ASP A 36 4.755 8.187 -15.645 1.00 52.35 H new ATOM 567 N PRO A 37 3.860 8.722 -19.384 1.00 75.23 N ATOM 568 CA PRO A 37 4.600 9.325 -20.518 1.00 40.12 C ATOM 569 C PRO A 37 5.565 10.451 -20.099 1.00 34.30 C ATOM 570 O PRO A 37 6.500 10.781 -20.826 1.00 40.20 O ATOM 571 CB PRO A 37 3.482 9.881 -21.420 1.00 61.21 C ATOM 572 CG PRO A 37 2.252 9.137 -21.016 1.00 61.25 C ATOM 573 CD PRO A 37 2.403 8.879 -19.543 1.00 11.30 C ATOM 0 HA PRO A 37 5.243 8.590 -21.002 1.00 40.12 H new ATOM 0 HB2 PRO A 37 3.358 10.955 -21.278 1.00 61.21 H new ATOM 0 HB3 PRO A 37 3.710 9.723 -22.474 1.00 61.21 H new ATOM 0 HG2 PRO A 37 1.355 9.721 -21.222 1.00 61.25 H new ATOM 0 HG3 PRO A 37 2.159 8.203 -21.570 1.00 61.25 H new ATOM 0 HD2 PRO A 37 2.018 9.706 -18.946 1.00 11.30 H new ATOM 0 HD3 PRO A 37 1.864 7.984 -19.232 1.00 11.30 H new ATOM 581 N ASP A 38 5.333 11.044 -18.931 1.00 31.30 N ATOM 582 CA ASP A 38 6.181 12.135 -18.440 1.00 12.21 C ATOM 583 C ASP A 38 7.279 11.638 -17.482 1.00 51.14 C ATOM 584 O ASP A 38 8.065 12.436 -16.960 1.00 61.03 O ATOM 585 CB ASP A 38 5.316 13.191 -17.749 1.00 42.20 C ATOM 586 CG ASP A 38 4.565 12.635 -16.554 1.00 22.42 C ATOM 587 OD1 ASP A 38 3.525 11.974 -16.754 1.00 24.15 O ATOM 588 OD2 ASP A 38 5.013 12.850 -15.409 1.00 70.32 O ATOM 0 H ASP A 38 4.568 10.791 -18.306 1.00 31.30 H new ATOM 0 HA ASP A 38 6.683 12.574 -19.302 1.00 12.21 H new ATOM 0 HB2 ASP A 38 5.948 14.018 -17.424 1.00 42.20 H new ATOM 0 HB3 ASP A 38 4.602 13.597 -18.466 1.00 42.20 H new ATOM 593 N TYR A 39 7.339 10.326 -17.251 1.00 70.34 N ATOM 594 CA TYR A 39 8.344 9.756 -16.347 1.00 5.45 C ATOM 595 C TYR A 39 9.720 9.713 -17.041 1.00 52.14 C ATOM 596 O TYR A 39 10.126 8.689 -17.600 1.00 12.12 O ATOM 597 CB TYR A 39 7.912 8.353 -15.866 1.00 0.44 C ATOM 598 CG TYR A 39 8.608 7.894 -14.592 1.00 62.01 C ATOM 599 CD1 TYR A 39 8.067 8.173 -13.340 1.00 1.33 C ATOM 600 CD2 TYR A 39 9.805 7.196 -14.640 1.00 53.15 C ATOM 601 CE1 TYR A 39 8.704 7.772 -12.180 1.00 34.31 C ATOM 602 CE2 TYR A 39 10.445 6.789 -13.487 1.00 62.11 C ATOM 603 CZ TYR A 39 9.893 7.080 -12.259 1.00 2.13 C ATOM 604 OH TYR A 39 10.536 6.681 -11.109 1.00 71.41 O ATOM 0 H TYR A 39 6.711 9.642 -17.672 1.00 70.34 H new ATOM 0 HA TYR A 39 8.428 10.394 -15.467 1.00 5.45 H new ATOM 0 HB2 TYR A 39 6.835 8.353 -15.700 1.00 0.44 H new ATOM 0 HB3 TYR A 39 8.112 7.631 -16.658 1.00 0.44 H new ATOM 0 HD1 TYR A 39 7.134 8.712 -13.274 1.00 1.33 H new ATOM 0 HD2 TYR A 39 10.245 6.966 -15.599 1.00 53.15 H new ATOM 0 HE1 TYR A 39 8.272 8.000 -11.217 1.00 34.31 H new ATOM 0 HE2 TYR A 39 11.376 6.244 -13.547 1.00 62.11 H new ATOM 0 HH TYR A 39 11.000 5.833 -11.271 1.00 71.41 H new ATOM 614 N VAL A 40 10.419 10.851 -17.018 1.00 41.21 N ATOM 615 CA VAL A 40 11.710 11.003 -17.706 1.00 63.42 C ATOM 616 C VAL A 40 12.741 9.968 -17.229 1.00 32.22 C ATOM 617 O VAL A 40 13.544 9.465 -18.022 1.00 71.34 O ATOM 618 CB VAL A 40 12.286 12.428 -17.507 1.00 13.45 C ATOM 619 CG1 VAL A 40 13.598 12.599 -18.271 1.00 62.44 C ATOM 620 CG2 VAL A 40 11.268 13.489 -17.930 1.00 54.34 C ATOM 0 H VAL A 40 10.111 11.690 -16.526 1.00 41.21 H new ATOM 0 HA VAL A 40 11.517 10.836 -18.766 1.00 63.42 H new ATOM 0 HB VAL A 40 12.495 12.562 -16.446 1.00 13.45 H new ATOM 0 HG11 VAL A 40 13.981 13.607 -18.115 1.00 62.44 H new ATOM 0 HG12 VAL A 40 14.327 11.874 -17.909 1.00 62.44 H new ATOM 0 HG13 VAL A 40 13.423 12.438 -19.335 1.00 62.44 H new ATOM 0 HG21 VAL A 40 11.694 14.481 -17.782 1.00 54.34 H new ATOM 0 HG22 VAL A 40 11.019 13.355 -18.983 1.00 54.34 H new ATOM 0 HG23 VAL A 40 10.365 13.388 -17.328 1.00 54.34 H new ATOM 630 N GLY A 41 12.705 9.648 -15.934 1.00 12.31 N ATOM 631 CA GLY A 41 13.604 8.641 -15.379 1.00 71.42 C ATOM 632 C GLY A 41 13.563 7.322 -16.146 1.00 53.41 C ATOM 633 O GLY A 41 14.578 6.632 -16.275 1.00 51.31 O ATOM 0 H GLY A 41 12.068 10.069 -15.257 1.00 12.31 H new ATOM 0 HA2 GLY A 41 14.623 9.028 -15.385 1.00 71.42 H new ATOM 0 HA3 GLY A 41 13.339 8.459 -14.338 1.00 71.42 H new ATOM 637 N THR A 42 12.388 6.980 -16.674 1.00 14.20 N ATOM 638 CA THR A 42 12.229 5.770 -17.485 1.00 61.14 C ATOM 639 C THR A 42 12.992 5.888 -18.802 1.00 1.30 C ATOM 640 O THR A 42 13.839 5.058 -19.100 1.00 50.34 O ATOM 641 CB THR A 42 10.743 5.466 -17.796 1.00 73.41 C ATOM 642 OG1 THR A 42 10.040 5.131 -16.591 1.00 55.21 O ATOM 643 CG2 THR A 42 10.608 4.322 -18.797 1.00 34.44 C ATOM 0 H THR A 42 11.532 7.522 -16.556 1.00 14.20 H new ATOM 0 HA THR A 42 12.637 4.950 -16.893 1.00 61.14 H new ATOM 0 HB THR A 42 10.308 6.364 -18.235 1.00 73.41 H new ATOM 0 HG1 THR A 42 9.582 5.927 -16.247 1.00 55.21 H new ATOM 0 HG21 THR A 42 9.553 4.134 -18.994 1.00 34.44 H new ATOM 0 HG22 THR A 42 11.108 4.592 -19.727 1.00 34.44 H new ATOM 0 HG23 THR A 42 11.067 3.423 -18.386 1.00 34.44 H new ATOM 651 N TYR A 43 12.697 6.936 -19.577 1.00 62.25 N ATOM 652 CA TYR A 43 13.326 7.133 -20.893 1.00 42.34 C ATOM 653 C TYR A 43 14.858 7.130 -20.803 1.00 65.31 C ATOM 654 O TYR A 43 15.535 6.494 -21.613 1.00 43.31 O ATOM 655 CB TYR A 43 12.854 8.451 -21.518 1.00 21.14 C ATOM 656 CG TYR A 43 11.365 8.494 -21.801 1.00 22.14 C ATOM 657 CD1 TYR A 43 10.836 7.883 -22.934 1.00 60.13 C ATOM 658 CD2 TYR A 43 10.487 9.147 -20.939 1.00 63.12 C ATOM 659 CE1 TYR A 43 9.483 7.926 -23.201 1.00 52.54 C ATOM 660 CE2 TYR A 43 9.133 9.190 -21.200 1.00 32.54 C ATOM 661 CZ TYR A 43 8.636 8.579 -22.330 1.00 12.51 C ATOM 662 OH TYR A 43 7.287 8.636 -22.601 1.00 23.34 O ATOM 0 H TYR A 43 12.028 7.662 -19.319 1.00 62.25 H new ATOM 0 HA TYR A 43 13.022 6.297 -21.523 1.00 42.34 H new ATOM 0 HB2 TYR A 43 13.111 9.272 -20.849 1.00 21.14 H new ATOM 0 HB3 TYR A 43 13.396 8.616 -22.449 1.00 21.14 H new ATOM 0 HD1 TYR A 43 11.496 7.367 -23.616 1.00 60.13 H new ATOM 0 HD2 TYR A 43 10.873 9.627 -20.052 1.00 63.12 H new ATOM 0 HE1 TYR A 43 9.089 7.451 -24.087 1.00 52.54 H new ATOM 0 HE2 TYR A 43 8.466 9.700 -20.521 1.00 32.54 H new ATOM 0 HH TYR A 43 6.885 9.379 -22.105 1.00 23.34 H new ATOM 672 N TYR A 44 15.393 7.839 -19.810 1.00 11.31 N ATOM 673 CA TYR A 44 16.844 7.947 -19.626 1.00 0.42 C ATOM 674 C TYR A 44 17.500 6.569 -19.414 1.00 60.51 C ATOM 675 O TYR A 44 18.447 6.207 -20.110 1.00 33.13 O ATOM 676 CB TYR A 44 17.156 8.870 -18.439 1.00 0.14 C ATOM 677 CG TYR A 44 18.641 9.119 -18.234 1.00 21.41 C ATOM 678 CD1 TYR A 44 19.353 9.940 -19.103 1.00 35.34 C ATOM 679 CD2 TYR A 44 19.332 8.526 -17.180 1.00 43.41 C ATOM 680 CE1 TYR A 44 20.705 10.164 -18.929 1.00 55.23 C ATOM 681 CE2 TYR A 44 20.684 8.745 -17.002 1.00 71.12 C ATOM 682 CZ TYR A 44 21.365 9.565 -17.877 1.00 23.25 C ATOM 683 OH TYR A 44 22.716 9.778 -17.704 1.00 4.43 O ATOM 0 H TYR A 44 14.844 8.349 -19.118 1.00 11.31 H new ATOM 0 HA TYR A 44 17.263 8.373 -20.538 1.00 0.42 H new ATOM 0 HB2 TYR A 44 16.654 9.825 -18.591 1.00 0.14 H new ATOM 0 HB3 TYR A 44 16.741 8.433 -17.531 1.00 0.14 H new ATOM 0 HD1 TYR A 44 18.839 10.411 -19.928 1.00 35.34 H new ATOM 0 HD2 TYR A 44 18.802 7.885 -16.491 1.00 43.41 H new ATOM 0 HE1 TYR A 44 21.242 10.805 -19.613 1.00 55.23 H new ATOM 0 HE2 TYR A 44 21.206 8.276 -16.181 1.00 71.12 H new ATOM 0 HH TYR A 44 23.027 9.285 -16.916 1.00 4.43 H new ATOM 693 N HIS A 45 17.000 5.809 -18.441 1.00 2.21 N ATOM 694 CA HIS A 45 17.558 4.482 -18.138 1.00 43.10 C ATOM 695 C HIS A 45 17.147 3.424 -19.183 1.00 43.34 C ATOM 696 O HIS A 45 17.877 2.464 -19.423 1.00 51.40 O ATOM 697 CB HIS A 45 17.151 4.043 -16.725 1.00 30.30 C ATOM 698 CG HIS A 45 17.726 4.921 -15.650 1.00 54.15 C ATOM 699 ND1 HIS A 45 18.993 4.754 -15.132 1.00 54.31 N ATOM 700 CD2 HIS A 45 17.203 5.991 -15.003 1.00 21.41 C ATOM 701 CE1 HIS A 45 19.220 5.677 -14.217 1.00 42.33 C ATOM 702 NE2 HIS A 45 18.153 6.440 -14.121 1.00 64.14 N ATOM 0 H HIS A 45 16.215 6.082 -17.850 1.00 2.21 H new ATOM 0 HA HIS A 45 18.644 4.565 -18.183 1.00 43.10 H new ATOM 0 HB2 HIS A 45 16.064 4.048 -16.648 1.00 30.30 H new ATOM 0 HB3 HIS A 45 17.477 3.016 -16.561 1.00 30.30 H new ATOM 0 HD2 HIS A 45 16.220 6.412 -15.154 1.00 21.41 H new ATOM 0 HE1 HIS A 45 20.129 5.787 -13.644 1.00 42.33 H new ATOM 0 HE2 HIS A 45 18.049 7.237 -13.493 1.00 64.14 H new ATOM 711 N LEU A 46 15.979 3.608 -19.794 1.00 43.20 N ATOM 712 CA LEU A 46 15.496 2.703 -20.847 1.00 64.11 C ATOM 713 C LEU A 46 16.425 2.743 -22.064 1.00 43.22 C ATOM 714 O LEU A 46 16.786 1.704 -22.618 1.00 23.41 O ATOM 715 CB LEU A 46 14.065 3.078 -21.265 1.00 22.34 C ATOM 716 CG LEU A 46 13.474 2.267 -22.432 1.00 22.12 C ATOM 717 CD1 LEU A 46 13.467 0.775 -22.114 1.00 42.22 C ATOM 718 CD2 LEU A 46 12.067 2.751 -22.768 1.00 13.34 C ATOM 0 H LEU A 46 15.344 4.377 -19.581 1.00 43.20 H new ATOM 0 HA LEU A 46 15.491 1.689 -20.446 1.00 64.11 H new ATOM 0 HB2 LEU A 46 13.412 2.963 -20.400 1.00 22.34 H new ATOM 0 HB3 LEU A 46 14.051 4.133 -21.537 1.00 22.34 H new ATOM 0 HG LEU A 46 14.109 2.423 -23.304 1.00 22.12 H new ATOM 0 HD11 LEU A 46 13.044 0.226 -22.955 1.00 42.22 H new ATOM 0 HD12 LEU A 46 14.488 0.436 -21.935 1.00 42.22 H new ATOM 0 HD13 LEU A 46 12.864 0.596 -21.224 1.00 42.22 H new ATOM 0 HD21 LEU A 46 11.668 2.164 -23.595 1.00 13.34 H new ATOM 0 HD22 LEU A 46 11.424 2.633 -21.896 1.00 13.34 H new ATOM 0 HD23 LEU A 46 12.102 3.803 -23.053 1.00 13.34 H new ATOM 730 N GLY A 47 16.811 3.952 -22.470 1.00 3.30 N ATOM 731 CA GLY A 47 17.779 4.103 -23.547 1.00 74.51 C ATOM 732 C GLY A 47 19.103 3.417 -23.230 1.00 11.52 C ATOM 733 O GLY A 47 19.665 2.721 -24.075 1.00 14.54 O ATOM 0 H GLY A 47 16.472 4.828 -22.073 1.00 3.30 H new ATOM 0 HA2 GLY A 47 17.366 3.686 -24.466 1.00 74.51 H new ATOM 0 HA3 GLY A 47 17.955 5.163 -23.729 1.00 74.51 H new ATOM 737 N LYS A 48 19.589 3.603 -21.998 1.00 44.12 N ATOM 738 CA LYS A 48 20.802 2.921 -21.526 1.00 72.32 C ATOM 739 C LYS A 48 20.651 1.396 -21.628 1.00 4.34 C ATOM 740 O LYS A 48 21.599 0.685 -21.970 1.00 72.13 O ATOM 741 CB LYS A 48 21.107 3.299 -20.065 1.00 52.02 C ATOM 742 CG LYS A 48 21.293 4.793 -19.821 1.00 0.51 C ATOM 743 CD LYS A 48 22.429 5.376 -20.653 1.00 2.41 C ATOM 744 CE LYS A 48 22.695 6.834 -20.299 1.00 72.51 C ATOM 745 NZ LYS A 48 23.285 6.986 -18.937 1.00 73.34 N ATOM 0 H LYS A 48 19.161 4.221 -21.308 1.00 44.12 H new ATOM 0 HA LYS A 48 21.626 3.243 -22.163 1.00 72.32 H new ATOM 0 HB2 LYS A 48 20.295 2.939 -19.433 1.00 52.02 H new ATOM 0 HB3 LYS A 48 22.011 2.777 -19.750 1.00 52.02 H new ATOM 0 HG2 LYS A 48 20.366 5.316 -20.058 1.00 0.51 H new ATOM 0 HG3 LYS A 48 21.495 4.964 -18.764 1.00 0.51 H new ATOM 0 HD2 LYS A 48 23.335 4.791 -20.493 1.00 2.41 H new ATOM 0 HD3 LYS A 48 22.182 5.298 -21.712 1.00 2.41 H new ATOM 0 HE2 LYS A 48 23.371 7.267 -21.036 1.00 72.51 H new ATOM 0 HE3 LYS A 48 21.762 7.395 -20.353 1.00 72.51 H new ATOM 0 HZ1 LYS A 48 22.852 7.802 -18.460 1.00 73.34 H new ATOM 0 HZ2 LYS A 48 23.104 6.125 -18.382 1.00 73.34 H new ATOM 0 HZ3 LYS A 48 24.311 7.137 -19.018 1.00 73.34 H new ATOM 759 N LEU A 49 19.453 0.901 -21.317 1.00 21.13 N ATOM 760 CA LEU A 49 19.163 -0.534 -21.396 1.00 61.04 C ATOM 761 C LEU A 49 19.128 -1.006 -22.858 1.00 42.25 C ATOM 762 O LEU A 49 19.600 -2.097 -23.180 1.00 13.50 O ATOM 763 CB LEU A 49 17.837 -0.847 -20.689 1.00 11.43 C ATOM 764 CG LEU A 49 17.464 -2.341 -20.590 1.00 63.43 C ATOM 765 CD1 LEU A 49 18.600 -3.155 -19.969 1.00 44.02 C ATOM 766 CD2 LEU A 49 16.182 -2.515 -19.782 1.00 44.13 C ATOM 0 H LEU A 49 18.666 1.472 -21.008 1.00 21.13 H new ATOM 0 HA LEU A 49 19.962 -1.076 -20.890 1.00 61.04 H new ATOM 0 HB2 LEU A 49 17.879 -0.435 -19.681 1.00 11.43 H new ATOM 0 HB3 LEU A 49 17.036 -0.326 -21.213 1.00 11.43 H new ATOM 0 HG LEU A 49 17.297 -2.714 -21.600 1.00 63.43 H new ATOM 0 HD11 LEU A 49 18.308 -4.204 -19.912 1.00 44.02 H new ATOM 0 HD12 LEU A 49 19.494 -3.060 -20.585 1.00 44.02 H new ATOM 0 HD13 LEU A 49 18.809 -2.782 -18.966 1.00 44.02 H new ATOM 0 HD21 LEU A 49 15.931 -3.574 -19.721 1.00 44.13 H new ATOM 0 HD22 LEU A 49 16.328 -2.118 -18.777 1.00 44.13 H new ATOM 0 HD23 LEU A 49 15.369 -1.977 -20.270 1.00 44.13 H new ATOM 778 N TYR A 50 18.577 -0.175 -23.743 1.00 52.34 N ATOM 779 CA TYR A 50 18.617 -0.450 -25.181 1.00 52.13 C ATOM 780 C TYR A 50 20.071 -0.523 -25.677 1.00 0.30 C ATOM 781 O TYR A 50 20.449 -1.473 -26.359 1.00 52.14 O ATOM 782 CB TYR A 50 17.837 0.612 -25.972 1.00 75.34 C ATOM 783 CG TYR A 50 16.330 0.397 -26.008 1.00 15.34 C ATOM 784 CD1 TYR A 50 15.791 -0.831 -26.387 1.00 33.05 C ATOM 785 CD2 TYR A 50 15.447 1.428 -25.699 1.00 44.23 C ATOM 786 CE1 TYR A 50 14.422 -1.022 -26.458 1.00 41.34 C ATOM 787 CE2 TYR A 50 14.079 1.239 -25.761 1.00 41.22 C ATOM 788 CZ TYR A 50 13.571 0.017 -26.141 1.00 53.14 C ATOM 789 OH TYR A 50 12.206 -0.160 -26.224 1.00 21.55 O ATOM 0 H TYR A 50 18.099 0.691 -23.492 1.00 52.34 H new ATOM 0 HA TYR A 50 18.140 -1.416 -25.349 1.00 52.13 H new ATOM 0 HB2 TYR A 50 18.041 1.591 -25.538 1.00 75.34 H new ATOM 0 HB3 TYR A 50 18.212 0.632 -26.995 1.00 75.34 H new ATOM 0 HD1 TYR A 50 16.454 -1.649 -26.630 1.00 33.05 H new ATOM 0 HD2 TYR A 50 15.837 2.391 -25.406 1.00 44.23 H new ATOM 0 HE1 TYR A 50 14.022 -1.979 -26.760 1.00 41.34 H new ATOM 0 HE2 TYR A 50 13.409 2.049 -25.512 1.00 41.22 H new ATOM 0 HH TYR A 50 11.975 -1.066 -25.931 1.00 21.55 H new ATOM 799 N GLU A 51 20.882 0.476 -25.320 1.00 52.33 N ATOM 800 CA GLU A 51 22.320 0.461 -25.635 1.00 1.02 C ATOM 801 C GLU A 51 22.985 -0.808 -25.075 1.00 55.02 C ATOM 802 O GLU A 51 23.854 -1.409 -25.709 1.00 53.50 O ATOM 803 CB GLU A 51 23.019 1.704 -25.051 1.00 24.03 C ATOM 804 CG GLU A 51 22.510 3.037 -25.597 1.00 32.55 C ATOM 805 CD GLU A 51 23.254 4.233 -25.008 1.00 71.50 C ATOM 806 OE1 GLU A 51 24.358 4.558 -25.497 1.00 42.24 O ATOM 807 OE2 GLU A 51 22.755 4.842 -24.034 1.00 61.21 O ATOM 0 H GLU A 51 20.572 1.305 -24.814 1.00 52.33 H new ATOM 0 HA GLU A 51 22.423 0.470 -26.720 1.00 1.02 H new ATOM 0 HB2 GLU A 51 22.895 1.699 -23.968 1.00 24.03 H new ATOM 0 HB3 GLU A 51 24.088 1.630 -25.249 1.00 24.03 H new ATOM 0 HG2 GLU A 51 22.616 3.046 -26.682 1.00 32.55 H new ATOM 0 HG3 GLU A 51 21.446 3.132 -25.380 1.00 32.55 H new ATOM 814 N ARG A 52 22.551 -1.208 -23.881 1.00 0.30 N ATOM 815 CA ARG A 52 23.064 -2.409 -23.205 1.00 62.21 C ATOM 816 C ARG A 52 22.743 -3.690 -23.999 1.00 1.04 C ATOM 817 O ARG A 52 23.427 -4.707 -23.866 1.00 41.41 O ATOM 818 CB ARG A 52 22.459 -2.480 -21.790 1.00 63.14 C ATOM 819 CG ARG A 52 23.068 -3.544 -20.878 1.00 64.51 C ATOM 820 CD ARG A 52 22.575 -3.386 -19.438 1.00 24.20 C ATOM 821 NE ARG A 52 22.843 -2.041 -18.928 1.00 23.10 N ATOM 822 CZ ARG A 52 22.549 -1.622 -17.729 1.00 10.52 C ATOM 823 NH1 ARG A 52 22.026 -2.419 -16.849 1.00 64.33 N ATOM 824 NH2 ARG A 52 22.799 -0.395 -17.412 1.00 44.43 N ATOM 0 H ARG A 52 21.834 -0.712 -23.351 1.00 0.30 H new ATOM 0 HA ARG A 52 24.150 -2.340 -23.140 1.00 62.21 H new ATOM 0 HB2 ARG A 52 22.573 -1.506 -21.313 1.00 63.14 H new ATOM 0 HB3 ARG A 52 21.389 -2.668 -21.878 1.00 63.14 H new ATOM 0 HG2 ARG A 52 22.808 -4.536 -21.248 1.00 64.51 H new ATOM 0 HG3 ARG A 52 24.155 -3.470 -20.903 1.00 64.51 H new ATOM 0 HD2 ARG A 52 21.505 -3.587 -19.394 1.00 24.20 H new ATOM 0 HD3 ARG A 52 23.064 -4.123 -18.801 1.00 24.20 H new ATOM 0 HE ARG A 52 23.295 -1.380 -19.560 1.00 23.10 H new ATOM 0 HH11 ARG A 52 21.838 -3.392 -17.090 1.00 64.33 H new ATOM 0 HH12 ARG A 52 21.803 -2.073 -15.916 1.00 64.33 H new ATOM 0 HH21 ARG A 52 23.221 0.233 -18.096 1.00 44.43 H new ATOM 0 HH22 ARG A 52 22.574 -0.054 -16.477 1.00 44.43 H new ATOM 838 N LEU A 53 21.701 -3.628 -24.827 1.00 35.32 N ATOM 839 CA LEU A 53 21.295 -4.764 -25.668 1.00 22.32 C ATOM 840 C LEU A 53 21.631 -4.523 -27.154 1.00 3.25 C ATOM 841 O LEU A 53 21.128 -5.231 -28.032 1.00 42.33 O ATOM 842 CB LEU A 53 19.787 -5.016 -25.505 1.00 54.54 C ATOM 843 CG LEU A 53 19.323 -5.336 -24.071 1.00 11.43 C ATOM 844 CD1 LEU A 53 17.805 -5.480 -24.011 1.00 4.30 C ATOM 845 CD2 LEU A 53 20.005 -6.600 -23.545 1.00 42.34 C ATOM 0 H LEU A 53 21.116 -2.799 -24.937 1.00 35.32 H new ATOM 0 HA LEU A 53 21.853 -5.641 -25.341 1.00 22.32 H new ATOM 0 HB2 LEU A 53 19.248 -4.135 -25.855 1.00 54.54 H new ATOM 0 HB3 LEU A 53 19.502 -5.843 -26.155 1.00 54.54 H new ATOM 0 HG LEU A 53 19.613 -4.502 -23.431 1.00 11.43 H new ATOM 0 HD11 LEU A 53 17.501 -5.706 -22.989 1.00 4.30 H new ATOM 0 HD12 LEU A 53 17.338 -4.548 -24.331 1.00 4.30 H new ATOM 0 HD13 LEU A 53 17.490 -6.289 -24.670 1.00 4.30 H new ATOM 0 HD21 LEU A 53 19.661 -6.804 -22.531 1.00 42.34 H new ATOM 0 HD22 LEU A 53 19.756 -7.443 -24.190 1.00 42.34 H new ATOM 0 HD23 LEU A 53 21.085 -6.455 -23.539 1.00 42.34 H new ATOM 857 N ASP A 54 22.488 -3.527 -27.421 1.00 34.32 N ATOM 858 CA ASP A 54 22.899 -3.164 -28.793 1.00 1.22 C ATOM 859 C ASP A 54 21.691 -2.753 -29.663 1.00 54.24 C ATOM 860 O ASP A 54 21.665 -2.950 -30.880 1.00 14.13 O ATOM 861 CB ASP A 54 23.688 -4.316 -29.439 1.00 52.21 C ATOM 862 CG ASP A 54 24.242 -3.965 -30.815 1.00 32.43 C ATOM 863 OD1 ASP A 54 24.819 -2.867 -30.972 1.00 22.34 O ATOM 864 OD2 ASP A 54 24.085 -4.782 -31.751 1.00 32.31 O ATOM 0 H ASP A 54 22.917 -2.950 -26.698 1.00 34.32 H new ATOM 0 HA ASP A 54 23.553 -2.294 -28.728 1.00 1.22 H new ATOM 0 HB2 ASP A 54 24.512 -4.596 -28.783 1.00 52.21 H new ATOM 0 HB3 ASP A 54 23.040 -5.188 -29.527 1.00 52.21 H new ATOM 869 N ARG A 55 20.695 -2.161 -29.025 1.00 71.31 N ATOM 870 CA ARG A 55 19.525 -1.627 -29.724 1.00 12.03 C ATOM 871 C ARG A 55 19.693 -0.116 -29.970 1.00 24.23 C ATOM 872 O ARG A 55 18.906 0.696 -29.482 1.00 22.40 O ATOM 873 CB ARG A 55 18.258 -1.901 -28.897 1.00 11.14 C ATOM 874 CG ARG A 55 17.980 -3.384 -28.652 1.00 61.11 C ATOM 875 CD ARG A 55 17.563 -4.107 -29.931 1.00 2.45 C ATOM 876 NE ARG A 55 16.380 -3.491 -30.528 1.00 55.10 N ATOM 877 CZ ARG A 55 15.271 -4.120 -30.808 1.00 34.15 C ATOM 878 NH1 ARG A 55 15.154 -5.395 -30.599 1.00 61.54 N ATOM 879 NH2 ARG A 55 14.268 -3.462 -31.293 1.00 2.52 N ATOM 0 H ARG A 55 20.669 -2.035 -28.013 1.00 71.31 H new ATOM 0 HA ARG A 55 19.430 -2.122 -30.690 1.00 12.03 H new ATOM 0 HB2 ARG A 55 18.349 -1.396 -27.935 1.00 11.14 H new ATOM 0 HB3 ARG A 55 17.401 -1.462 -29.408 1.00 11.14 H new ATOM 0 HG2 ARG A 55 18.872 -3.857 -28.243 1.00 61.11 H new ATOM 0 HG3 ARG A 55 17.193 -3.487 -27.905 1.00 61.11 H new ATOM 0 HD2 ARG A 55 18.385 -4.088 -30.646 1.00 2.45 H new ATOM 0 HD3 ARG A 55 17.357 -5.154 -29.709 1.00 2.45 H new ATOM 0 HE ARG A 55 16.424 -2.495 -30.742 1.00 55.10 H new ATOM 0 HH11 ARG A 55 15.936 -5.922 -30.210 1.00 61.54 H new ATOM 0 HH12 ARG A 55 14.280 -5.871 -30.824 1.00 61.54 H new ATOM 0 HH21 ARG A 55 14.347 -2.458 -31.454 1.00 2.52 H new ATOM 0 HH22 ARG A 55 13.399 -3.947 -31.514 1.00 2.52 H new ATOM 893 N THR A 56 20.729 0.246 -30.732 1.00 0.21 N ATOM 894 CA THR A 56 21.097 1.657 -30.952 1.00 61.55 C ATOM 895 C THR A 56 19.912 2.503 -31.450 1.00 44.42 C ATOM 896 O THR A 56 19.608 3.554 -30.883 1.00 74.11 O ATOM 897 CB THR A 56 22.260 1.775 -31.969 1.00 65.24 C ATOM 898 OG1 THR A 56 23.346 0.917 -31.582 1.00 72.31 O ATOM 899 CG2 THR A 56 22.765 3.213 -32.079 1.00 33.25 C ATOM 0 H THR A 56 21.334 -0.420 -31.212 1.00 0.21 H new ATOM 0 HA THR A 56 21.411 2.043 -29.982 1.00 61.55 H new ATOM 0 HB THR A 56 21.877 1.469 -32.943 1.00 65.24 H new ATOM 0 HG1 THR A 56 24.075 0.998 -32.232 1.00 72.31 H new ATOM 0 HG21 THR A 56 23.580 3.258 -32.801 1.00 33.25 H new ATOM 0 HG22 THR A 56 21.952 3.860 -32.409 1.00 33.25 H new ATOM 0 HG23 THR A 56 23.123 3.548 -31.106 1.00 33.25 H new ATOM 907 N ASP A 57 19.243 2.036 -32.506 1.00 52.22 N ATOM 908 CA ASP A 57 18.092 2.751 -33.081 1.00 64.32 C ATOM 909 C ASP A 57 17.005 3.015 -32.024 1.00 23.14 C ATOM 910 O ASP A 57 16.518 4.139 -31.879 1.00 21.13 O ATOM 911 CB ASP A 57 17.505 1.936 -34.235 1.00 35.12 C ATOM 912 CG ASP A 57 18.537 1.630 -35.303 1.00 23.11 C ATOM 913 OD1 ASP A 57 19.314 0.670 -35.126 1.00 35.13 O ATOM 914 OD2 ASP A 57 18.586 2.352 -36.321 1.00 13.14 O ATOM 0 H ASP A 57 19.476 1.165 -32.984 1.00 52.22 H new ATOM 0 HA ASP A 57 18.443 3.715 -33.449 1.00 64.32 H new ATOM 0 HB2 ASP A 57 17.098 1.002 -33.848 1.00 35.12 H new ATOM 0 HB3 ASP A 57 16.675 2.485 -34.680 1.00 35.12 H new ATOM 919 N ASP A 58 16.644 1.967 -31.287 1.00 3.01 N ATOM 920 CA ASP A 58 15.637 2.062 -30.229 1.00 11.45 C ATOM 921 C ASP A 58 16.043 3.086 -29.156 1.00 11.42 C ATOM 922 O ASP A 58 15.234 3.912 -28.734 1.00 1.33 O ATOM 923 CB ASP A 58 15.441 0.688 -29.589 1.00 74.13 C ATOM 924 CG ASP A 58 15.030 -0.362 -30.602 1.00 12.52 C ATOM 925 OD1 ASP A 58 15.899 -0.818 -31.376 1.00 21.25 O ATOM 926 OD2 ASP A 58 13.845 -0.744 -30.630 1.00 53.44 O ATOM 0 H ASP A 58 17.037 1.033 -31.404 1.00 3.01 H new ATOM 0 HA ASP A 58 14.702 2.400 -30.676 1.00 11.45 H new ATOM 0 HB2 ASP A 58 16.367 0.380 -29.104 1.00 74.13 H new ATOM 0 HB3 ASP A 58 14.681 0.757 -28.811 1.00 74.13 H new ATOM 931 N ALA A 59 17.304 3.025 -28.724 1.00 23.13 N ATOM 932 CA ALA A 59 17.833 3.956 -27.719 1.00 31.50 C ATOM 933 C ALA A 59 17.685 5.416 -28.175 1.00 24.13 C ATOM 934 O ALA A 59 17.073 6.234 -27.486 1.00 53.20 O ATOM 935 CB ALA A 59 19.297 3.636 -27.424 1.00 41.33 C ATOM 0 H ALA A 59 17.982 2.339 -29.055 1.00 23.13 H new ATOM 0 HA ALA A 59 17.251 3.832 -26.806 1.00 31.50 H new ATOM 0 HB1 ALA A 59 19.678 4.333 -26.678 1.00 41.33 H new ATOM 0 HB2 ALA A 59 19.377 2.617 -27.044 1.00 41.33 H new ATOM 0 HB3 ALA A 59 19.881 3.729 -28.339 1.00 41.33 H new ATOM 941 N ILE A 60 18.226 5.722 -29.353 1.00 60.54 N ATOM 942 CA ILE A 60 18.180 7.081 -29.910 1.00 73.42 C ATOM 943 C ILE A 60 16.736 7.606 -30.002 1.00 21.03 C ATOM 944 O ILE A 60 16.440 8.722 -29.568 1.00 53.44 O ATOM 945 CB ILE A 60 18.834 7.122 -31.315 1.00 72.55 C ATOM 946 CG1 ILE A 60 20.287 6.620 -31.241 1.00 43.14 C ATOM 947 CG2 ILE A 60 18.779 8.535 -31.901 1.00 70.51 C ATOM 948 CD1 ILE A 60 20.941 6.425 -32.593 1.00 41.25 C ATOM 0 H ILE A 60 18.705 5.045 -29.947 1.00 60.54 H new ATOM 0 HA ILE A 60 18.740 7.725 -29.232 1.00 73.42 H new ATOM 0 HB ILE A 60 18.272 6.462 -31.976 1.00 72.55 H new ATOM 0 HG12 ILE A 60 20.877 7.331 -30.663 1.00 43.14 H new ATOM 0 HG13 ILE A 60 20.307 5.674 -30.700 1.00 43.14 H new ATOM 0 HG21 ILE A 60 19.244 8.538 -32.887 1.00 70.51 H new ATOM 0 HG22 ILE A 60 17.740 8.852 -31.989 1.00 70.51 H new ATOM 0 HG23 ILE A 60 19.314 9.222 -31.245 1.00 70.51 H new ATOM 0 HD11 ILE A 60 21.962 6.070 -32.455 1.00 41.25 H new ATOM 0 HD12 ILE A 60 20.376 5.691 -33.168 1.00 41.25 H new ATOM 0 HD13 ILE A 60 20.956 7.373 -33.130 1.00 41.25 H new ATOM 960 N ASP A 61 15.845 6.785 -30.554 1.00 72.23 N ATOM 961 CA ASP A 61 14.429 7.143 -30.693 1.00 3.15 C ATOM 962 C ASP A 61 13.759 7.348 -29.318 1.00 1.34 C ATOM 963 O ASP A 61 12.975 8.283 -29.127 1.00 70.42 O ATOM 964 CB ASP A 61 13.707 6.055 -31.497 1.00 2.21 C ATOM 965 CG ASP A 61 12.234 6.355 -31.704 1.00 74.52 C ATOM 966 OD1 ASP A 61 11.913 7.285 -32.475 1.00 44.33 O ATOM 967 OD2 ASP A 61 11.389 5.666 -31.091 1.00 51.15 O ATOM 0 H ASP A 61 16.078 5.860 -30.916 1.00 72.23 H new ATOM 0 HA ASP A 61 14.360 8.091 -31.226 1.00 3.15 H new ATOM 0 HB2 ASP A 61 14.191 5.946 -32.468 1.00 2.21 H new ATOM 0 HB3 ASP A 61 13.809 5.100 -30.981 1.00 2.21 H new ATOM 972 N THR A 62 14.083 6.474 -28.364 1.00 63.13 N ATOM 973 CA THR A 62 13.563 6.587 -26.993 1.00 53.43 C ATOM 974 C THR A 62 13.999 7.904 -26.339 1.00 71.53 C ATOM 975 O THR A 62 13.193 8.596 -25.709 1.00 1.34 O ATOM 976 CB THR A 62 14.019 5.399 -26.107 1.00 63.34 C ATOM 977 OG1 THR A 62 13.464 4.173 -26.604 1.00 34.43 O ATOM 978 CG2 THR A 62 13.593 5.592 -24.654 1.00 12.53 C ATOM 0 H THR A 62 14.703 5.678 -28.512 1.00 63.13 H new ATOM 0 HA THR A 62 12.476 6.569 -27.069 1.00 53.43 H new ATOM 0 HB THR A 62 15.107 5.356 -26.146 1.00 63.34 H new ATOM 0 HG1 THR A 62 13.953 3.894 -27.407 1.00 34.43 H new ATOM 0 HG21 THR A 62 13.928 4.742 -24.060 1.00 12.53 H new ATOM 0 HG22 THR A 62 14.039 6.506 -24.262 1.00 12.53 H new ATOM 0 HG23 THR A 62 12.507 5.666 -24.600 1.00 12.53 H new ATOM 986 N TYR A 63 15.278 8.252 -26.493 1.00 22.52 N ATOM 987 CA TYR A 63 15.785 9.533 -25.995 1.00 23.22 C ATOM 988 C TYR A 63 15.086 10.708 -26.687 1.00 73.14 C ATOM 989 O TYR A 63 14.798 11.718 -26.057 1.00 25.00 O ATOM 990 CB TYR A 63 17.302 9.650 -26.199 1.00 52.40 C ATOM 991 CG TYR A 63 18.123 8.705 -25.342 1.00 74.32 C ATOM 992 CD1 TYR A 63 18.025 8.735 -23.956 1.00 13.31 C ATOM 993 CD2 TYR A 63 18.998 7.789 -25.916 1.00 61.42 C ATOM 994 CE1 TYR A 63 18.772 7.883 -23.169 1.00 45.13 C ATOM 995 CE2 TYR A 63 19.749 6.934 -25.135 1.00 45.42 C ATOM 996 CZ TYR A 63 19.632 6.985 -23.762 1.00 73.33 C ATOM 997 OH TYR A 63 20.379 6.138 -22.978 1.00 22.11 O ATOM 0 H TYR A 63 15.977 7.670 -26.955 1.00 22.52 H new ATOM 0 HA TYR A 63 15.570 9.569 -24.927 1.00 23.22 H new ATOM 0 HB2 TYR A 63 17.531 9.462 -27.248 1.00 52.40 H new ATOM 0 HB3 TYR A 63 17.608 10.674 -25.985 1.00 52.40 H new ATOM 0 HD1 TYR A 63 17.352 9.438 -23.487 1.00 13.31 H new ATOM 0 HD2 TYR A 63 19.091 7.746 -26.991 1.00 61.42 H new ATOM 0 HE1 TYR A 63 18.683 7.920 -22.093 1.00 45.13 H new ATOM 0 HE2 TYR A 63 20.424 6.229 -25.597 1.00 45.42 H new ATOM 0 HH TYR A 63 21.145 5.808 -23.492 1.00 22.11 H new ATOM 1007 N ALA A 64 14.814 10.563 -27.985 1.00 14.25 N ATOM 1008 CA ALA A 64 14.155 11.617 -28.768 1.00 44.02 C ATOM 1009 C ALA A 64 12.799 12.019 -28.164 1.00 53.40 C ATOM 1010 O ALA A 64 12.569 13.189 -27.852 1.00 25.11 O ATOM 1011 CB ALA A 64 13.984 11.165 -30.213 1.00 35.31 C ATOM 0 H ALA A 64 15.040 9.724 -28.520 1.00 14.25 H new ATOM 0 HA ALA A 64 14.794 12.499 -28.741 1.00 44.02 H new ATOM 0 HB1 ALA A 64 13.495 11.953 -30.785 1.00 35.31 H new ATOM 0 HB2 ALA A 64 14.962 10.955 -30.647 1.00 35.31 H new ATOM 0 HB3 ALA A 64 13.373 10.263 -30.242 1.00 35.31 H new ATOM 1017 N GLN A 65 11.904 11.042 -27.993 1.00 24.54 N ATOM 1018 CA GLN A 65 10.598 11.299 -27.367 1.00 30.41 C ATOM 1019 C GLN A 65 10.799 11.764 -25.913 1.00 14.05 C ATOM 1020 O GLN A 65 10.070 12.621 -25.408 1.00 53.03 O ATOM 1021 CB GLN A 65 9.715 10.032 -27.423 1.00 1.24 C ATOM 1022 CG GLN A 65 8.203 10.302 -27.401 1.00 22.40 C ATOM 1023 CD GLN A 65 7.661 10.776 -26.057 1.00 30.31 C ATOM 1024 OE1 GLN A 65 6.712 11.551 -25.994 1.00 42.54 O ATOM 1025 NE2 GLN A 65 8.227 10.286 -24.971 1.00 53.41 N ATOM 0 H GLN A 65 12.055 10.073 -28.275 1.00 24.54 H new ATOM 0 HA GLN A 65 10.088 12.089 -27.918 1.00 30.41 H new ATOM 0 HB2 GLN A 65 9.958 9.476 -28.329 1.00 1.24 H new ATOM 0 HB3 GLN A 65 9.968 9.391 -26.578 1.00 1.24 H new ATOM 0 HG2 GLN A 65 7.970 11.053 -28.156 1.00 22.40 H new ATOM 0 HG3 GLN A 65 7.680 9.389 -27.687 1.00 22.40 H new ATOM 0 HE21 GLN A 65 9.015 9.643 -25.052 1.00 53.41 H new ATOM 0 HE22 GLN A 65 7.877 10.550 -24.050 1.00 53.41 H new ATOM 1034 N GLY A 66 11.806 11.191 -25.250 1.00 40.33 N ATOM 1035 CA GLY A 66 12.160 11.618 -23.902 1.00 11.01 C ATOM 1036 C GLY A 66 12.542 13.094 -23.834 1.00 14.40 C ATOM 1037 O GLY A 66 12.181 13.793 -22.889 1.00 62.33 O ATOM 0 H GLY A 66 12.384 10.438 -25.623 1.00 40.33 H new ATOM 0 HA2 GLY A 66 11.319 11.433 -23.234 1.00 11.01 H new ATOM 0 HA3 GLY A 66 12.992 11.014 -23.541 1.00 11.01 H new ATOM 1041 N ILE A 67 13.271 13.568 -24.845 1.00 23.43 N ATOM 1042 CA ILE A 67 13.658 14.979 -24.943 1.00 43.14 C ATOM 1043 C ILE A 67 12.427 15.893 -24.898 1.00 23.33 C ATOM 1044 O ILE A 67 12.426 16.923 -24.217 1.00 14.41 O ATOM 1045 CB ILE A 67 14.463 15.242 -26.248 1.00 20.14 C ATOM 1046 CG1 ILE A 67 15.863 14.608 -26.155 1.00 41.23 C ATOM 1047 CG2 ILE A 67 14.565 16.737 -26.546 1.00 74.05 C ATOM 1048 CD1 ILE A 67 16.691 14.759 -27.416 1.00 65.12 C ATOM 0 H ILE A 67 13.609 12.991 -25.615 1.00 23.43 H new ATOM 0 HA ILE A 67 14.292 15.207 -24.086 1.00 43.14 H new ATOM 0 HB ILE A 67 13.925 14.776 -27.074 1.00 20.14 H new ATOM 0 HG12 ILE A 67 16.401 15.061 -25.322 1.00 41.23 H new ATOM 0 HG13 ILE A 67 15.756 13.547 -25.927 1.00 41.23 H new ATOM 0 HG21 ILE A 67 15.133 16.887 -27.464 1.00 74.05 H new ATOM 0 HG22 ILE A 67 13.565 17.153 -26.666 1.00 74.05 H new ATOM 0 HG23 ILE A 67 15.070 17.239 -25.721 1.00 74.05 H new ATOM 0 HD11 ILE A 67 17.663 14.287 -27.272 1.00 65.12 H new ATOM 0 HD12 ILE A 67 16.176 14.281 -28.249 1.00 65.12 H new ATOM 0 HD13 ILE A 67 16.831 15.818 -27.635 1.00 65.12 H new ATOM 1060 N GLU A 68 11.374 15.496 -25.610 1.00 1.44 N ATOM 1061 CA GLU A 68 10.128 16.266 -25.647 1.00 52.40 C ATOM 1062 C GLU A 68 9.506 16.382 -24.246 1.00 22.44 C ATOM 1063 O GLU A 68 9.282 17.485 -23.746 1.00 44.12 O ATOM 1064 CB GLU A 68 9.132 15.616 -26.620 1.00 60.13 C ATOM 1065 CG GLU A 68 9.701 15.397 -28.020 1.00 54.20 C ATOM 1066 CD GLU A 68 8.653 14.943 -29.024 1.00 45.22 C ATOM 1067 OE1 GLU A 68 8.152 13.806 -28.904 1.00 43.41 O ATOM 1068 OE2 GLU A 68 8.323 15.727 -29.943 1.00 40.42 O ATOM 0 H GLU A 68 11.357 14.644 -26.171 1.00 1.44 H new ATOM 0 HA GLU A 68 10.361 17.272 -25.997 1.00 52.40 H new ATOM 0 HB2 GLU A 68 8.812 14.657 -26.213 1.00 60.13 H new ATOM 0 HB3 GLU A 68 8.244 16.244 -26.692 1.00 60.13 H new ATOM 0 HG2 GLU A 68 10.154 16.324 -28.371 1.00 54.20 H new ATOM 0 HG3 GLU A 68 10.495 14.652 -27.971 1.00 54.20 H new ATOM 1075 N VAL A 69 9.262 15.242 -23.599 1.00 75.44 N ATOM 1076 CA VAL A 69 8.679 15.233 -22.251 1.00 72.31 C ATOM 1077 C VAL A 69 9.639 15.840 -21.211 1.00 31.31 C ATOM 1078 O VAL A 69 9.216 16.296 -20.151 1.00 62.04 O ATOM 1079 CB VAL A 69 8.262 13.804 -21.813 1.00 54.32 C ATOM 1080 CG1 VAL A 69 7.254 13.215 -22.799 1.00 64.22 C ATOM 1081 CG2 VAL A 69 9.479 12.891 -21.670 1.00 2.14 C ATOM 0 H VAL A 69 9.457 14.316 -23.981 1.00 75.44 H new ATOM 0 HA VAL A 69 7.784 15.853 -22.298 1.00 72.31 H new ATOM 0 HB VAL A 69 7.786 13.877 -20.835 1.00 54.32 H new ATOM 0 HG11 VAL A 69 6.973 12.213 -22.476 1.00 64.22 H new ATOM 0 HG12 VAL A 69 6.367 13.847 -22.834 1.00 64.22 H new ATOM 0 HG13 VAL A 69 7.703 13.164 -23.791 1.00 64.22 H new ATOM 0 HG21 VAL A 69 9.154 11.897 -21.362 1.00 2.14 H new ATOM 0 HG22 VAL A 69 9.997 12.823 -22.626 1.00 2.14 H new ATOM 0 HG23 VAL A 69 10.155 13.301 -20.919 1.00 2.14 H new ATOM 1091 N ALA A 70 10.932 15.847 -21.522 1.00 54.23 N ATOM 1092 CA ALA A 70 11.935 16.460 -20.645 1.00 21.34 C ATOM 1093 C ALA A 70 11.791 17.989 -20.603 1.00 62.11 C ATOM 1094 O ALA A 70 11.696 18.583 -19.534 1.00 21.13 O ATOM 1095 CB ALA A 70 13.335 16.079 -21.103 1.00 61.31 C ATOM 0 H ALA A 70 11.314 15.436 -22.374 1.00 54.23 H new ATOM 0 HA ALA A 70 11.770 16.082 -19.636 1.00 21.34 H new ATOM 0 HB1 ALA A 70 14.071 16.540 -20.444 1.00 61.31 H new ATOM 0 HB2 ALA A 70 13.446 14.995 -21.070 1.00 61.31 H new ATOM 0 HB3 ALA A 70 13.492 16.429 -22.123 1.00 61.31 H new ATOM 1101 N ARG A 71 11.767 18.617 -21.777 1.00 55.22 N ATOM 1102 CA ARG A 71 11.627 20.080 -21.876 1.00 13.25 C ATOM 1103 C ARG A 71 10.202 20.543 -21.519 1.00 3.23 C ATOM 1104 O ARG A 71 10.010 21.628 -20.966 1.00 11.41 O ATOM 1105 CB ARG A 71 12.006 20.550 -23.292 1.00 73.42 C ATOM 1106 CG ARG A 71 11.241 19.837 -24.403 1.00 52.30 C ATOM 1107 CD ARG A 71 11.682 20.291 -25.790 1.00 5.53 C ATOM 1108 NE ARG A 71 11.293 21.672 -26.071 1.00 62.21 N ATOM 1109 CZ ARG A 71 11.671 22.342 -27.124 1.00 0.12 C ATOM 1110 NH1 ARG A 71 12.513 21.834 -27.968 1.00 5.42 N ATOM 1111 NH2 ARG A 71 11.221 23.535 -27.329 1.00 50.24 N ATOM 0 H ARG A 71 11.842 18.141 -22.676 1.00 55.22 H new ATOM 0 HA ARG A 71 12.307 20.531 -21.153 1.00 13.25 H new ATOM 0 HB2 ARG A 71 11.825 21.622 -23.369 1.00 73.42 H new ATOM 0 HB3 ARG A 71 13.074 20.395 -23.442 1.00 73.42 H new ATOM 0 HG2 ARG A 71 11.389 18.761 -24.311 1.00 52.30 H new ATOM 0 HG3 ARG A 71 10.174 20.023 -24.284 1.00 52.30 H new ATOM 0 HD2 ARG A 71 12.765 20.197 -25.874 1.00 5.53 H new ATOM 0 HD3 ARG A 71 11.246 19.633 -26.541 1.00 5.53 H new ATOM 0 HE ARG A 71 10.686 22.142 -25.399 1.00 62.21 H new ATOM 0 HH11 ARG A 71 12.889 20.899 -27.813 1.00 5.42 H new ATOM 0 HH12 ARG A 71 12.800 22.370 -28.787 1.00 5.42 H new ATOM 0 HH21 ARG A 71 10.569 23.955 -26.667 1.00 50.24 H new ATOM 0 HH22 ARG A 71 11.518 24.057 -28.153 1.00 50.24 H new ATOM 1125 N GLU A 72 9.208 19.714 -21.830 1.00 31.52 N ATOM 1126 CA GLU A 72 7.805 20.043 -21.547 1.00 12.41 C ATOM 1127 C GLU A 72 7.432 19.784 -20.076 1.00 71.13 C ATOM 1128 O GLU A 72 6.876 20.656 -19.409 1.00 73.33 O ATOM 1129 CB GLU A 72 6.877 19.243 -22.475 1.00 34.35 C ATOM 1130 CG GLU A 72 7.022 19.595 -23.956 1.00 11.44 C ATOM 1131 CD GLU A 72 6.552 21.006 -24.282 1.00 31.42 C ATOM 1132 OE1 GLU A 72 7.349 21.959 -24.136 1.00 20.30 O ATOM 1133 OE2 GLU A 72 5.386 21.172 -24.687 1.00 15.35 O ATOM 0 H GLU A 72 9.344 18.808 -22.278 1.00 31.52 H new ATOM 0 HA GLU A 72 7.677 21.109 -21.733 1.00 12.41 H new ATOM 0 HB2 GLU A 72 7.078 18.180 -22.344 1.00 34.35 H new ATOM 0 HB3 GLU A 72 5.844 19.412 -22.172 1.00 34.35 H new ATOM 0 HG2 GLU A 72 8.067 19.490 -24.248 1.00 11.44 H new ATOM 0 HG3 GLU A 72 6.451 18.882 -24.551 1.00 11.44 H new ATOM 1140 N GLU A 73 7.745 18.590 -19.574 1.00 10.25 N ATOM 1141 CA GLU A 73 7.350 18.188 -18.213 1.00 72.40 C ATOM 1142 C GLU A 73 8.505 18.300 -17.203 1.00 32.23 C ATOM 1143 O GLU A 73 8.347 18.896 -16.134 1.00 12.13 O ATOM 1144 CB GLU A 73 6.814 16.750 -18.227 1.00 61.25 C ATOM 1145 CG GLU A 73 5.613 16.552 -19.145 1.00 45.22 C ATOM 1146 CD GLU A 73 4.451 17.467 -18.791 1.00 52.15 C ATOM 1147 OE1 GLU A 73 3.708 17.150 -17.838 1.00 1.52 O ATOM 1148 OE2 GLU A 73 4.281 18.511 -19.459 1.00 11.15 O ATOM 0 H GLU A 73 8.271 17.880 -20.084 1.00 10.25 H new ATOM 0 HA GLU A 73 6.569 18.877 -17.891 1.00 72.40 H new ATOM 0 HB2 GLU A 73 7.613 16.077 -18.538 1.00 61.25 H new ATOM 0 HB3 GLU A 73 6.535 16.466 -17.212 1.00 61.25 H new ATOM 0 HG2 GLU A 73 5.914 16.735 -20.176 1.00 45.22 H new ATOM 0 HG3 GLU A 73 5.284 15.514 -19.089 1.00 45.22 H new ATOM 1155 N GLY A 74 9.652 17.712 -17.537 1.00 4.34 N ATOM 1156 CA GLY A 74 10.805 17.733 -16.633 1.00 4.32 C ATOM 1157 C GLY A 74 11.441 19.116 -16.497 1.00 52.13 C ATOM 1158 O GLY A 74 10.852 20.023 -15.903 1.00 73.00 O ATOM 0 H GLY A 74 9.810 17.220 -18.416 1.00 4.34 H new ATOM 0 HA2 GLY A 74 10.492 17.386 -15.648 1.00 4.32 H new ATOM 0 HA3 GLY A 74 11.555 17.030 -16.995 1.00 4.32 H new ATOM 1162 N THR A 75 12.654 19.267 -17.020 1.00 75.40 N ATOM 1163 CA THR A 75 13.346 20.564 -17.046 1.00 24.25 C ATOM 1164 C THR A 75 14.554 20.535 -17.997 1.00 74.24 C ATOM 1165 O THR A 75 14.846 19.509 -18.621 1.00 62.41 O ATOM 1166 CB THR A 75 13.818 21.000 -15.632 1.00 75.41 C ATOM 1167 OG1 THR A 75 14.483 22.272 -15.696 1.00 52.10 O ATOM 1168 CG2 THR A 75 14.754 19.971 -15.009 1.00 34.42 C ATOM 0 H THR A 75 13.187 18.504 -17.436 1.00 75.40 H new ATOM 0 HA THR A 75 12.620 21.292 -17.409 1.00 24.25 H new ATOM 0 HB THR A 75 12.930 21.081 -15.005 1.00 75.41 H new ATOM 0 HG1 THR A 75 14.773 22.535 -14.798 1.00 52.10 H new ATOM 0 HG21 THR A 75 15.063 20.311 -14.021 1.00 34.42 H new ATOM 0 HG22 THR A 75 14.236 19.016 -14.919 1.00 34.42 H new ATOM 0 HG23 THR A 75 15.633 19.849 -15.642 1.00 34.42 H new ATOM 1176 N GLN A 76 15.261 21.661 -18.103 1.00 71.52 N ATOM 1177 CA GLN A 76 16.431 21.762 -18.985 1.00 34.14 C ATOM 1178 C GLN A 76 17.527 20.755 -18.589 1.00 14.51 C ATOM 1179 O GLN A 76 18.327 20.333 -19.428 1.00 23.21 O ATOM 1180 CB GLN A 76 16.990 23.192 -18.971 1.00 25.24 C ATOM 1181 CG GLN A 76 18.224 23.386 -19.852 1.00 54.55 C ATOM 1182 CD GLN A 76 18.752 24.809 -19.816 1.00 31.44 C ATOM 1183 OE1 GLN A 76 19.550 25.163 -18.955 1.00 44.13 O ATOM 1184 NE2 GLN A 76 18.339 25.632 -20.761 1.00 42.23 N ATOM 0 H GLN A 76 15.046 22.517 -17.591 1.00 71.52 H new ATOM 0 HA GLN A 76 16.105 21.518 -19.996 1.00 34.14 H new ATOM 0 HB2 GLN A 76 16.210 23.879 -19.299 1.00 25.24 H new ATOM 0 HB3 GLN A 76 17.242 23.463 -17.946 1.00 25.24 H new ATOM 0 HG2 GLN A 76 19.009 22.703 -19.526 1.00 54.55 H new ATOM 0 HG3 GLN A 76 17.977 23.120 -20.880 1.00 54.55 H new ATOM 0 HE21 GLN A 76 17.674 25.309 -21.464 1.00 42.23 H new ATOM 0 HE22 GLN A 76 18.684 26.591 -20.789 1.00 42.23 H new ATOM 1193 N LYS A 77 17.559 20.370 -17.312 1.00 54.05 N ATOM 1194 CA LYS A 77 18.501 19.346 -16.839 1.00 2.35 C ATOM 1195 C LYS A 77 18.288 18.014 -17.574 1.00 43.32 C ATOM 1196 O LYS A 77 19.235 17.426 -18.103 1.00 44.35 O ATOM 1197 CB LYS A 77 18.348 19.136 -15.326 1.00 43.22 C ATOM 1198 CG LYS A 77 19.156 17.959 -14.779 1.00 12.25 C ATOM 1199 CD LYS A 77 18.967 17.790 -13.276 1.00 64.35 C ATOM 1200 CE LYS A 77 19.674 16.546 -12.752 1.00 63.14 C ATOM 1201 NZ LYS A 77 19.117 15.296 -13.339 1.00 52.24 N ATOM 0 H LYS A 77 16.948 20.748 -16.588 1.00 54.05 H new ATOM 0 HA LYS A 77 19.510 19.698 -17.052 1.00 2.35 H new ATOM 0 HB2 LYS A 77 18.655 20.046 -14.810 1.00 43.22 H new ATOM 0 HB3 LYS A 77 17.294 18.979 -15.096 1.00 43.22 H new ATOM 0 HG2 LYS A 77 18.854 17.044 -15.288 1.00 12.25 H new ATOM 0 HG3 LYS A 77 20.213 18.112 -14.997 1.00 12.25 H new ATOM 0 HD2 LYS A 77 19.351 18.670 -12.760 1.00 64.35 H new ATOM 0 HD3 LYS A 77 17.903 17.726 -13.049 1.00 64.35 H new ATOM 0 HE2 LYS A 77 20.738 16.611 -12.981 1.00 63.14 H new ATOM 0 HE3 LYS A 77 19.583 16.508 -11.666 1.00 63.14 H new ATOM 0 HZ1 LYS A 77 19.367 14.487 -12.735 1.00 52.24 H new ATOM 0 HZ2 LYS A 77 18.082 15.373 -13.402 1.00 52.24 H new ATOM 0 HZ3 LYS A 77 19.512 15.153 -14.290 1.00 52.24 H new ATOM 1215 N ASP A 78 17.037 17.557 -17.620 1.00 64.35 N ATOM 1216 CA ASP A 78 16.687 16.327 -18.336 1.00 54.42 C ATOM 1217 C ASP A 78 17.009 16.468 -19.830 1.00 22.03 C ATOM 1218 O ASP A 78 17.587 15.572 -20.449 1.00 3.40 O ATOM 1219 CB ASP A 78 15.200 16.020 -18.153 1.00 14.41 C ATOM 1220 CG ASP A 78 14.780 16.046 -16.698 1.00 71.32 C ATOM 1221 OD1 ASP A 78 14.918 15.016 -16.011 1.00 71.11 O ATOM 1222 OD2 ASP A 78 14.318 17.107 -16.233 1.00 55.51 O ATOM 0 H ASP A 78 16.247 18.019 -17.170 1.00 64.35 H new ATOM 0 HA ASP A 78 17.275 15.506 -17.926 1.00 54.42 H new ATOM 0 HB2 ASP A 78 14.610 16.747 -18.712 1.00 14.41 H new ATOM 0 HB3 ASP A 78 14.980 15.039 -18.575 1.00 14.41 H new ATOM 1227 N LEU A 79 16.634 17.617 -20.391 1.00 22.14 N ATOM 1228 CA LEU A 79 16.925 17.946 -21.789 1.00 24.11 C ATOM 1229 C LEU A 79 18.422 17.775 -22.106 1.00 13.23 C ATOM 1230 O LEU A 79 18.795 17.114 -23.078 1.00 52.10 O ATOM 1231 CB LEU A 79 16.483 19.394 -22.064 1.00 62.22 C ATOM 1232 CG LEU A 79 16.749 19.926 -23.483 1.00 71.20 C ATOM 1233 CD1 LEU A 79 15.948 19.140 -24.515 1.00 11.10 C ATOM 1234 CD2 LEU A 79 16.424 21.417 -23.566 1.00 10.41 C ATOM 0 H LEU A 79 16.122 18.345 -19.893 1.00 22.14 H new ATOM 0 HA LEU A 79 16.374 17.261 -22.433 1.00 24.11 H new ATOM 0 HB2 LEU A 79 15.414 19.470 -21.864 1.00 62.22 H new ATOM 0 HB3 LEU A 79 16.988 20.048 -21.353 1.00 62.22 H new ATOM 0 HG LEU A 79 17.808 19.793 -23.705 1.00 71.20 H new ATOM 0 HD11 LEU A 79 16.152 19.534 -25.511 1.00 11.10 H new ATOM 0 HD12 LEU A 79 16.235 18.089 -24.475 1.00 11.10 H new ATOM 0 HD13 LEU A 79 14.884 19.234 -24.298 1.00 11.10 H new ATOM 0 HD21 LEU A 79 16.618 21.776 -24.577 1.00 10.41 H new ATOM 0 HD22 LEU A 79 15.374 21.575 -23.320 1.00 10.41 H new ATOM 0 HD23 LEU A 79 17.048 21.965 -22.860 1.00 10.41 H new ATOM 1246 N SER A 80 19.271 18.355 -21.261 1.00 23.30 N ATOM 1247 CA SER A 80 20.728 18.294 -21.446 1.00 24.02 C ATOM 1248 C SER A 80 21.253 16.849 -21.406 1.00 64.31 C ATOM 1249 O SER A 80 21.982 16.416 -22.307 1.00 54.22 O ATOM 1250 CB SER A 80 21.436 19.125 -20.366 1.00 22.12 C ATOM 1251 OG SER A 80 22.848 19.072 -20.511 1.00 63.21 O ATOM 0 H SER A 80 18.978 18.877 -20.435 1.00 23.30 H new ATOM 0 HA SER A 80 20.946 18.705 -22.432 1.00 24.02 H new ATOM 0 HB2 SER A 80 21.102 20.161 -20.425 1.00 22.12 H new ATOM 0 HB3 SER A 80 21.156 18.755 -19.379 1.00 22.12 H new ATOM 0 HG SER A 80 23.269 19.612 -19.810 1.00 63.21 H new ATOM 1257 N GLU A 81 20.874 16.104 -20.365 1.00 14.32 N ATOM 1258 CA GLU A 81 21.359 14.727 -20.174 1.00 72.10 C ATOM 1259 C GLU A 81 20.885 13.782 -21.295 1.00 12.10 C ATOM 1260 O GLU A 81 21.654 12.947 -21.781 1.00 24.11 O ATOM 1261 CB GLU A 81 20.916 14.184 -18.805 1.00 32.12 C ATOM 1262 CG GLU A 81 21.426 15.008 -17.623 1.00 4.42 C ATOM 1263 CD GLU A 81 21.110 14.376 -16.271 1.00 43.11 C ATOM 1264 OE1 GLU A 81 19.952 14.472 -15.815 1.00 65.13 O ATOM 1265 OE2 GLU A 81 22.023 13.781 -15.655 1.00 51.40 O ATOM 0 H GLU A 81 20.234 16.427 -19.640 1.00 14.32 H new ATOM 0 HA GLU A 81 22.448 14.764 -20.213 1.00 72.10 H new ATOM 0 HB2 GLU A 81 19.827 14.153 -18.772 1.00 32.12 H new ATOM 0 HB3 GLU A 81 21.268 13.158 -18.700 1.00 32.12 H new ATOM 0 HG2 GLU A 81 22.505 15.135 -17.715 1.00 4.42 H new ATOM 0 HG3 GLU A 81 20.984 16.003 -17.664 1.00 4.42 H new ATOM 1272 N LEU A 82 19.624 13.915 -21.704 1.00 61.25 N ATOM 1273 CA LEU A 82 19.059 13.073 -22.769 1.00 74.54 C ATOM 1274 C LEU A 82 19.735 13.333 -24.127 1.00 11.24 C ATOM 1275 O LEU A 82 20.064 12.393 -24.856 1.00 64.22 O ATOM 1276 CB LEU A 82 17.545 13.294 -22.871 1.00 73.33 C ATOM 1277 CG LEU A 82 16.733 12.775 -21.670 1.00 41.03 C ATOM 1278 CD1 LEU A 82 15.264 13.150 -21.807 1.00 0.40 C ATOM 1279 CD2 LEU A 82 16.885 11.261 -21.530 1.00 42.03 C ATOM 0 H LEU A 82 18.971 14.596 -21.317 1.00 61.25 H new ATOM 0 HA LEU A 82 19.251 12.033 -22.505 1.00 74.54 H new ATOM 0 HB2 LEU A 82 17.355 14.361 -22.986 1.00 73.33 H new ATOM 0 HB3 LEU A 82 17.181 12.806 -23.775 1.00 73.33 H new ATOM 0 HG LEU A 82 17.125 13.247 -20.769 1.00 41.03 H new ATOM 0 HD11 LEU A 82 14.710 12.773 -20.947 1.00 0.40 H new ATOM 0 HD12 LEU A 82 15.168 14.235 -21.853 1.00 0.40 H new ATOM 0 HD13 LEU A 82 14.860 12.711 -22.719 1.00 0.40 H new ATOM 0 HD21 LEU A 82 16.304 10.914 -20.676 1.00 42.03 H new ATOM 0 HD22 LEU A 82 16.524 10.774 -22.436 1.00 42.03 H new ATOM 0 HD23 LEU A 82 17.936 11.013 -21.378 1.00 42.03 H new ATOM 1291 N GLN A 83 19.944 14.605 -24.464 1.00 4.52 N ATOM 1292 CA GLN A 83 20.648 14.967 -25.703 1.00 34.44 C ATOM 1293 C GLN A 83 22.071 14.382 -25.725 1.00 70.43 C ATOM 1294 O GLN A 83 22.545 13.904 -26.759 1.00 33.43 O ATOM 1295 CB GLN A 83 20.701 16.492 -25.866 1.00 32.10 C ATOM 1296 CG GLN A 83 19.334 17.133 -26.096 1.00 75.01 C ATOM 1297 CD GLN A 83 19.395 18.648 -26.244 1.00 5.21 C ATOM 1298 OE1 GLN A 83 18.588 19.247 -26.948 1.00 44.23 O ATOM 1299 NE2 GLN A 83 20.345 19.282 -25.581 1.00 30.13 N ATOM 0 H GLN A 83 19.640 15.401 -23.903 1.00 4.52 H new ATOM 0 HA GLN A 83 20.092 14.542 -26.539 1.00 34.44 H new ATOM 0 HB2 GLN A 83 21.152 16.928 -24.975 1.00 32.10 H new ATOM 0 HB3 GLN A 83 21.353 16.736 -26.705 1.00 32.10 H new ATOM 0 HG2 GLN A 83 18.886 16.705 -26.993 1.00 75.01 H new ATOM 0 HG3 GLN A 83 18.678 16.883 -25.262 1.00 75.01 H new ATOM 0 HE21 GLN A 83 21.002 18.757 -25.004 1.00 30.13 H new ATOM 0 HE22 GLN A 83 20.422 20.297 -25.646 1.00 30.13 H new ATOM 1308 N ASP A 84 22.743 14.425 -24.577 1.00 4.31 N ATOM 1309 CA ASP A 84 24.072 13.826 -24.424 1.00 5.14 C ATOM 1310 C ASP A 84 24.008 12.291 -24.547 1.00 5.44 C ATOM 1311 O ASP A 84 24.878 11.664 -25.162 1.00 0.41 O ATOM 1312 CB ASP A 84 24.665 14.227 -23.066 1.00 22.31 C ATOM 1313 CG ASP A 84 25.983 13.530 -22.776 1.00 53.14 C ATOM 1314 OD1 ASP A 84 27.029 13.990 -23.280 1.00 0.33 O ATOM 1315 OD2 ASP A 84 25.975 12.515 -22.052 1.00 42.40 O ATOM 0 H ASP A 84 22.388 14.871 -23.731 1.00 4.31 H new ATOM 0 HA ASP A 84 24.713 14.198 -25.223 1.00 5.14 H new ATOM 0 HB2 ASP A 84 24.816 15.306 -23.044 1.00 22.31 H new ATOM 0 HB3 ASP A 84 23.951 13.989 -22.277 1.00 22.31 H new ATOM 1320 N ALA A 85 22.962 11.701 -23.973 1.00 64.44 N ATOM 1321 CA ALA A 85 22.791 10.245 -23.970 1.00 64.22 C ATOM 1322 C ALA A 85 22.633 9.677 -25.392 1.00 34.03 C ATOM 1323 O ALA A 85 23.279 8.690 -25.747 1.00 75.53 O ATOM 1324 CB ALA A 85 21.601 9.862 -23.100 1.00 45.32 C ATOM 0 H ALA A 85 22.215 12.210 -23.501 1.00 64.44 H new ATOM 0 HA ALA A 85 23.696 9.805 -23.552 1.00 64.22 H new ATOM 0 HB1 ALA A 85 21.481 8.779 -23.104 1.00 45.32 H new ATOM 0 HB2 ALA A 85 21.771 10.205 -22.079 1.00 45.32 H new ATOM 0 HB3 ALA A 85 20.698 10.328 -23.494 1.00 45.32 H new ATOM 1330 N LYS A 86 21.777 10.293 -26.208 1.00 53.31 N ATOM 1331 CA LYS A 86 21.605 9.850 -27.598 1.00 43.04 C ATOM 1332 C LYS A 86 22.845 10.186 -28.441 1.00 75.44 C ATOM 1333 O LYS A 86 23.200 9.447 -29.357 1.00 4.03 O ATOM 1334 CB LYS A 86 20.347 10.471 -28.227 1.00 53.15 C ATOM 1335 CG LYS A 86 20.371 11.994 -28.325 1.00 1.53 C ATOM 1336 CD LYS A 86 19.071 12.546 -28.909 1.00 34.20 C ATOM 1337 CE LYS A 86 18.829 12.078 -30.342 1.00 71.11 C ATOM 1338 NZ LYS A 86 19.868 12.582 -31.280 1.00 14.32 N ATOM 0 H LYS A 86 21.198 11.089 -25.939 1.00 53.31 H new ATOM 0 HA LYS A 86 21.481 8.767 -27.585 1.00 43.04 H new ATOM 0 HB2 LYS A 86 20.215 10.058 -29.227 1.00 53.15 H new ATOM 0 HB3 LYS A 86 19.478 10.171 -27.641 1.00 53.15 H new ATOM 0 HG2 LYS A 86 20.534 12.419 -27.335 1.00 1.53 H new ATOM 0 HG3 LYS A 86 21.210 12.305 -28.948 1.00 1.53 H new ATOM 0 HD2 LYS A 86 18.235 12.236 -28.283 1.00 34.20 H new ATOM 0 HD3 LYS A 86 19.100 13.635 -28.886 1.00 34.20 H new ATOM 0 HE2 LYS A 86 18.815 10.988 -30.369 1.00 71.11 H new ATOM 0 HE3 LYS A 86 17.848 12.418 -30.673 1.00 71.11 H new ATOM 0 HZ1 LYS A 86 19.425 12.830 -32.188 1.00 14.32 H new ATOM 0 HZ2 LYS A 86 20.322 13.425 -30.875 1.00 14.32 H new ATOM 0 HZ3 LYS A 86 20.584 11.844 -31.434 1.00 14.32 H new ATOM 1352 N LEU A 87 23.507 11.295 -28.107 1.00 11.04 N ATOM 1353 CA LEU A 87 24.728 11.721 -28.803 1.00 3.04 C ATOM 1354 C LEU A 87 25.818 10.637 -28.742 1.00 43.22 C ATOM 1355 O LEU A 87 26.390 10.258 -29.766 1.00 14.35 O ATOM 1356 CB LEU A 87 25.258 13.024 -28.186 1.00 4.01 C ATOM 1357 CG LEU A 87 26.528 13.601 -28.837 1.00 65.13 C ATOM 1358 CD1 LEU A 87 26.275 13.966 -30.300 1.00 41.52 C ATOM 1359 CD2 LEU A 87 27.027 14.813 -28.053 1.00 62.20 C ATOM 0 H LEU A 87 23.218 11.920 -27.354 1.00 11.04 H new ATOM 0 HA LEU A 87 24.474 11.888 -29.850 1.00 3.04 H new ATOM 0 HB2 LEU A 87 24.471 13.776 -28.239 1.00 4.01 H new ATOM 0 HB3 LEU A 87 25.461 12.848 -27.130 1.00 4.01 H new ATOM 0 HG LEU A 87 27.302 12.834 -28.813 1.00 65.13 H new ATOM 0 HD11 LEU A 87 27.188 14.371 -30.737 1.00 41.52 H new ATOM 0 HD12 LEU A 87 25.974 13.075 -30.851 1.00 41.52 H new ATOM 0 HD13 LEU A 87 25.483 14.713 -30.357 1.00 41.52 H new ATOM 0 HD21 LEU A 87 27.925 15.208 -28.527 1.00 62.20 H new ATOM 0 HD22 LEU A 87 26.255 15.582 -28.041 1.00 62.20 H new ATOM 0 HD23 LEU A 87 27.258 14.515 -27.030 1.00 62.20 H new ATOM 1371 N LYS A 88 26.098 10.138 -27.536 1.00 33.34 N ATOM 1372 CA LYS A 88 27.104 9.085 -27.358 1.00 2.14 C ATOM 1373 C LYS A 88 26.675 7.788 -28.066 1.00 32.42 C ATOM 1374 O LYS A 88 27.505 7.094 -28.650 1.00 23.03 O ATOM 1375 CB LYS A 88 27.370 8.820 -25.866 1.00 2.01 C ATOM 1376 CG LYS A 88 26.180 8.235 -25.114 1.00 4.13 C ATOM 1377 CD LYS A 88 26.474 8.056 -23.628 1.00 33.35 C ATOM 1378 CE LYS A 88 25.322 7.365 -22.909 1.00 51.11 C ATOM 1379 NZ LYS A 88 25.084 5.991 -23.430 1.00 64.43 N ATOM 0 H LYS A 88 25.647 10.442 -26.673 1.00 33.34 H new ATOM 0 HA LYS A 88 28.031 9.433 -27.813 1.00 2.14 H new ATOM 0 HB2 LYS A 88 28.215 8.137 -25.775 1.00 2.01 H new ATOM 0 HB3 LYS A 88 27.663 9.755 -25.389 1.00 2.01 H new ATOM 0 HG2 LYS A 88 25.317 8.889 -25.236 1.00 4.13 H new ATOM 0 HG3 LYS A 88 25.914 7.272 -25.549 1.00 4.13 H new ATOM 0 HD2 LYS A 88 27.385 7.470 -23.504 1.00 33.35 H new ATOM 0 HD3 LYS A 88 26.657 9.029 -23.173 1.00 33.35 H new ATOM 0 HE2 LYS A 88 25.538 7.316 -21.842 1.00 51.11 H new ATOM 0 HE3 LYS A 88 24.415 7.958 -23.024 1.00 51.11 H new ATOM 0 HZ1 LYS A 88 24.122 5.686 -23.179 1.00 64.43 H new ATOM 0 HZ2 LYS A 88 25.189 5.989 -24.465 1.00 64.43 H new ATOM 0 HZ3 LYS A 88 25.775 5.336 -23.011 1.00 64.43 H new ATOM 1393 N ALA A 89 25.373 7.482 -28.023 1.00 13.22 N ATOM 1394 CA ALA A 89 24.825 6.301 -28.708 1.00 42.13 C ATOM 1395 C ALA A 89 25.102 6.360 -30.218 1.00 64.02 C ATOM 1396 O ALA A 89 25.623 5.412 -30.808 1.00 60.34 O ATOM 1397 CB ALA A 89 23.326 6.181 -28.443 1.00 10.23 C ATOM 0 H ALA A 89 24.678 8.035 -27.522 1.00 13.22 H new ATOM 0 HA ALA A 89 25.322 5.417 -28.309 1.00 42.13 H new ATOM 0 HB1 ALA A 89 22.935 5.303 -28.956 1.00 10.23 H new ATOM 0 HB2 ALA A 89 23.153 6.082 -27.371 1.00 10.23 H new ATOM 0 HB3 ALA A 89 22.819 7.073 -28.812 1.00 10.23 H new ATOM 1403 N GLU A 90 24.763 7.492 -30.829 1.00 24.02 N ATOM 1404 CA GLU A 90 25.043 7.731 -32.247 1.00 73.13 C ATOM 1405 C GLU A 90 26.558 7.683 -32.522 1.00 14.02 C ATOM 1406 O GLU A 90 27.002 7.270 -33.600 1.00 65.41 O ATOM 1407 CB GLU A 90 24.465 9.094 -32.665 1.00 33.14 C ATOM 1408 CG GLU A 90 22.955 9.204 -32.461 1.00 61.30 C ATOM 1409 CD GLU A 90 22.396 10.583 -32.786 1.00 32.32 C ATOM 1410 OE1 GLU A 90 22.122 10.855 -33.975 1.00 72.10 O ATOM 1411 OE2 GLU A 90 22.213 11.397 -31.855 1.00 44.43 O ATOM 0 H GLU A 90 24.290 8.266 -30.362 1.00 24.02 H new ATOM 0 HA GLU A 90 24.570 6.945 -32.835 1.00 73.13 H new ATOM 0 HB2 GLU A 90 24.959 9.880 -32.094 1.00 33.14 H new ATOM 0 HB3 GLU A 90 24.696 9.271 -33.716 1.00 33.14 H new ATOM 0 HG2 GLU A 90 22.457 8.463 -33.086 1.00 61.30 H new ATOM 0 HG3 GLU A 90 22.718 8.959 -31.426 1.00 61.30 H new ATOM 1418 N GLY A 91 27.343 8.092 -31.527 1.00 33.24 N ATOM 1419 CA GLY A 91 28.795 8.109 -31.655 1.00 33.31 C ATOM 1420 C GLY A 91 29.475 6.785 -31.296 1.00 3.44 C ATOM 1421 O GLY A 91 30.677 6.634 -31.519 1.00 32.15 O ATOM 0 H GLY A 91 26.996 8.416 -30.624 1.00 33.24 H new ATOM 0 HA2 GLY A 91 29.055 8.371 -32.681 1.00 33.31 H new ATOM 0 HA3 GLY A 91 29.195 8.895 -31.014 1.00 33.31 H new ATOM 1425 N LEU A 92 28.725 5.827 -30.738 1.00 1.33 N ATOM 1426 CA LEU A 92 29.290 4.514 -30.379 1.00 32.24 C ATOM 1427 C LEU A 92 29.905 3.809 -31.600 1.00 11.10 C ATOM 1428 O LEU A 92 31.090 3.465 -31.604 1.00 62.33 O ATOM 1429 CB LEU A 92 28.221 3.606 -29.742 1.00 34.14 C ATOM 1430 CG LEU A 92 27.719 4.034 -28.351 1.00 14.01 C ATOM 1431 CD1 LEU A 92 26.657 3.065 -27.839 1.00 42.34 C ATOM 1432 CD2 LEU A 92 28.880 4.133 -27.362 1.00 51.31 C ATOM 0 H LEU A 92 27.733 5.932 -30.525 1.00 1.33 H new ATOM 0 HA LEU A 92 30.080 4.697 -29.651 1.00 32.24 H new ATOM 0 HB2 LEU A 92 27.366 3.556 -30.416 1.00 34.14 H new ATOM 0 HB3 LEU A 92 28.627 2.597 -29.666 1.00 34.14 H new ATOM 0 HG LEU A 92 27.265 5.021 -28.443 1.00 14.01 H new ATOM 0 HD11 LEU A 92 26.316 3.386 -26.855 1.00 42.34 H new ATOM 0 HD12 LEU A 92 25.813 3.052 -28.529 1.00 42.34 H new ATOM 0 HD13 LEU A 92 27.082 2.064 -27.767 1.00 42.34 H new ATOM 0 HD21 LEU A 92 28.502 4.437 -26.386 1.00 51.31 H new ATOM 0 HD22 LEU A 92 29.368 3.162 -27.276 1.00 51.31 H new ATOM 0 HD23 LEU A 92 29.599 4.871 -27.718 1.00 51.31 H new