USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 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 16 HIS : no HE2:sc= -0.717 X(o=-0.94,f=-1.4) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.226 X(o=-0.94,f=-0.69) USER MOD Set 2.1: A 10 TYR OH : rot -49:sc= 0.393 USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.411 K(o=-0.018,f=-0.98) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 14 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.7) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc=-0.00713 (180deg=-0.111) USER MOD Single : A 19 HIS : no HD1:sc= -0.79 X(o=-0.79,f=-1.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 91:sc= -0.0754 USER MOD Single : A 39 TYR OH : rot -169:sc= 0.397 USER MOD Single : A 42 THR OG1 : rot 59:sc= -0.275! USER MOD Single : A 43 TYR OH : rot -163:sc= 1.07 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -1.75 (180deg=-2.81!) USER MOD Single : A 50 TYR OH : rot 29:sc= 0.042 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 75:sc= 0.615 USER MOD Single : A 63 TYR OH : rot -171:sc= 0.143 USER MOD Single : A 65 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.5) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 64:sc= 0.446 USER MOD Single : A 83 GLN : amide:sc= -0.543 K(o=-0.54,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0668) USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= -0.914 (180deg=-0.928) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 2.187 -0.290 -4.926 1.00 73.03 N ATOM 19 CA ASP A 2 1.758 -1.442 -5.726 1.00 45.30 C ATOM 20 C ASP A 2 2.346 -1.348 -7.156 1.00 0.02 C ATOM 21 O ASP A 2 2.800 -0.279 -7.568 1.00 43.43 O ATOM 22 CB ASP A 2 0.221 -1.515 -5.754 1.00 11.11 C ATOM 23 CG ASP A 2 -0.415 -0.360 -6.501 1.00 42.15 C ATOM 24 OD1 ASP A 2 -0.531 -0.450 -7.736 1.00 14.12 O ATOM 25 OD2 ASP A 2 -0.814 0.630 -5.858 1.00 40.25 O ATOM 0 HA ASP A 2 2.133 -2.359 -5.271 1.00 45.30 H new ATOM 0 HB2 ASP A 2 -0.084 -2.453 -6.219 1.00 11.11 H new ATOM 0 HB3 ASP A 2 -0.155 -1.529 -4.731 1.00 11.11 H new ATOM 30 N PRO A 3 2.365 -2.461 -7.931 1.00 32.30 N ATOM 31 CA PRO A 3 2.976 -2.499 -9.285 1.00 65.14 C ATOM 32 C PRO A 3 2.501 -1.393 -10.261 1.00 72.22 C ATOM 33 O PRO A 3 3.146 -1.157 -11.289 1.00 42.35 O ATOM 34 CB PRO A 3 2.591 -3.895 -9.820 1.00 12.34 C ATOM 35 CG PRO A 3 1.535 -4.402 -8.892 1.00 50.32 C ATOM 36 CD PRO A 3 1.831 -3.783 -7.558 1.00 23.34 C ATOM 0 HA PRO A 3 4.048 -2.316 -9.213 1.00 65.14 H new ATOM 0 HB2 PRO A 3 2.218 -3.834 -10.843 1.00 12.34 H new ATOM 0 HB3 PRO A 3 3.454 -4.561 -9.834 1.00 12.34 H new ATOM 0 HG2 PRO A 3 0.541 -4.122 -9.241 1.00 50.32 H new ATOM 0 HG3 PRO A 3 1.557 -5.490 -8.832 1.00 50.32 H new ATOM 0 HD2 PRO A 3 0.936 -3.700 -6.942 1.00 23.34 H new ATOM 0 HD3 PRO A 3 2.555 -4.368 -6.991 1.00 23.34 H new ATOM 44 N GLU A 4 1.388 -0.718 -9.962 1.00 43.24 N ATOM 45 CA GLU A 4 0.898 0.371 -10.829 1.00 13.13 C ATOM 46 C GLU A 4 1.578 1.715 -10.503 1.00 1.21 C ATOM 47 O GLU A 4 1.585 2.630 -11.329 1.00 35.11 O ATOM 48 CB GLU A 4 -0.626 0.523 -10.718 1.00 1.44 C ATOM 49 CG GLU A 4 -1.416 -0.674 -11.236 1.00 0.42 C ATOM 50 CD GLU A 4 -2.917 -0.438 -11.194 1.00 24.11 C ATOM 51 OE1 GLU A 4 -3.438 0.256 -12.093 1.00 41.04 O ATOM 52 OE2 GLU A 4 -3.581 -0.922 -10.254 1.00 13.15 O ATOM 0 H GLU A 4 0.812 -0.898 -9.140 1.00 43.24 H new ATOM 0 HA GLU A 4 1.155 0.097 -11.852 1.00 13.13 H new ATOM 0 HB2 GLU A 4 -0.887 0.691 -9.673 1.00 1.44 H new ATOM 0 HB3 GLU A 4 -0.932 1.412 -11.270 1.00 1.44 H new ATOM 0 HG2 GLU A 4 -1.113 -0.890 -12.261 1.00 0.42 H new ATOM 0 HG3 GLU A 4 -1.172 -1.553 -10.639 1.00 0.42 H new ATOM 59 N ASP A 5 2.131 1.844 -9.297 1.00 43.22 N ATOM 60 CA ASP A 5 2.872 3.057 -8.920 1.00 22.44 C ATOM 61 C ASP A 5 4.158 3.207 -9.750 1.00 44.31 C ATOM 62 O ASP A 5 4.978 2.285 -9.797 1.00 23.22 O ATOM 63 CB ASP A 5 3.232 3.046 -7.430 1.00 72.40 C ATOM 64 CG ASP A 5 2.039 3.306 -6.535 1.00 54.41 C ATOM 65 OD1 ASP A 5 1.475 4.419 -6.602 1.00 55.34 O ATOM 66 OD2 ASP A 5 1.683 2.419 -5.740 1.00 2.44 O ATOM 0 H ASP A 5 2.083 1.133 -8.567 1.00 43.22 H new ATOM 0 HA ASP A 5 2.217 3.905 -9.123 1.00 22.44 H new ATOM 0 HB2 ASP A 5 3.669 2.081 -7.174 1.00 72.40 H new ATOM 0 HB3 ASP A 5 3.994 3.801 -7.240 1.00 72.40 H new ATOM 71 N PRO A 6 4.351 4.374 -10.407 1.00 75.42 N ATOM 72 CA PRO A 6 5.556 4.658 -11.201 1.00 74.14 C ATOM 73 C PRO A 6 6.846 4.206 -10.503 1.00 52.25 C ATOM 74 O PRO A 6 7.620 3.425 -11.052 1.00 53.54 O ATOM 75 CB PRO A 6 5.535 6.184 -11.341 1.00 64.34 C ATOM 76 CG PRO A 6 4.099 6.575 -11.226 1.00 73.43 C ATOM 77 CD PRO A 6 3.396 5.498 -10.432 1.00 3.04 C ATOM 0 HA PRO A 6 5.548 4.124 -12.151 1.00 74.14 H new ATOM 0 HB2 PRO A 6 6.134 6.658 -10.563 1.00 64.34 H new ATOM 0 HB3 PRO A 6 5.951 6.496 -12.299 1.00 64.34 H new ATOM 0 HG2 PRO A 6 4.003 7.541 -10.730 1.00 73.43 H new ATOM 0 HG3 PRO A 6 3.650 6.678 -12.214 1.00 73.43 H new ATOM 0 HD2 PRO A 6 3.158 5.839 -9.424 1.00 3.04 H new ATOM 0 HD3 PRO A 6 2.455 5.209 -10.901 1.00 3.04 H new ATOM 85 N PHE A 7 7.049 4.690 -9.277 1.00 31.02 N ATOM 86 CA PHE A 7 8.225 4.333 -8.478 1.00 54.13 C ATOM 87 C PHE A 7 8.335 2.817 -8.252 1.00 34.11 C ATOM 88 O PHE A 7 9.426 2.255 -8.318 1.00 23.13 O ATOM 89 CB PHE A 7 8.188 5.056 -7.121 1.00 33.12 C ATOM 90 CG PHE A 7 9.266 4.601 -6.165 1.00 52.33 C ATOM 91 CD1 PHE A 7 10.596 4.935 -6.383 1.00 4.42 C ATOM 92 CD2 PHE A 7 8.949 3.831 -5.054 1.00 3.42 C ATOM 93 CE1 PHE A 7 11.584 4.511 -5.516 1.00 54.42 C ATOM 94 CE2 PHE A 7 9.935 3.406 -4.183 1.00 25.41 C ATOM 95 CZ PHE A 7 11.253 3.745 -4.414 1.00 41.44 C ATOM 0 H PHE A 7 6.410 5.335 -8.812 1.00 31.02 H new ATOM 0 HA PHE A 7 9.103 4.650 -9.041 1.00 54.13 H new ATOM 0 HB2 PHE A 7 8.290 6.128 -7.287 1.00 33.12 H new ATOM 0 HB3 PHE A 7 7.213 4.896 -6.660 1.00 33.12 H new ATOM 0 HD1 PHE A 7 10.861 5.534 -7.242 1.00 4.42 H new ATOM 0 HD2 PHE A 7 7.920 3.561 -4.868 1.00 3.42 H new ATOM 0 HE1 PHE A 7 12.614 4.778 -5.699 1.00 54.42 H new ATOM 0 HE2 PHE A 7 9.674 2.809 -3.322 1.00 25.41 H new ATOM 0 HZ PHE A 7 12.024 3.412 -3.735 1.00 41.44 H new ATOM 105 N THR A 8 7.209 2.157 -7.995 1.00 64.32 N ATOM 106 CA THR A 8 7.225 0.720 -7.672 1.00 10.14 C ATOM 107 C THR A 8 7.633 -0.123 -8.886 1.00 3.33 C ATOM 108 O THR A 8 8.588 -0.894 -8.823 1.00 42.35 O ATOM 109 CB THR A 8 5.854 0.227 -7.150 1.00 2.01 C ATOM 110 OG1 THR A 8 5.461 0.992 -5.999 1.00 63.45 O ATOM 111 CG2 THR A 8 5.907 -1.255 -6.778 1.00 14.41 C ATOM 0 H THR A 8 6.281 2.581 -8.002 1.00 64.32 H new ATOM 0 HA THR A 8 7.965 0.594 -6.882 1.00 10.14 H new ATOM 0 HB THR A 8 5.124 0.361 -7.948 1.00 2.01 H new ATOM 0 HG1 THR A 8 4.592 0.675 -5.676 1.00 63.45 H new ATOM 0 HG21 THR A 8 4.930 -1.574 -6.414 1.00 14.41 H new ATOM 0 HG22 THR A 8 6.176 -1.841 -7.657 1.00 14.41 H new ATOM 0 HG23 THR A 8 6.652 -1.408 -5.997 1.00 14.41 H new ATOM 119 N ARG A 9 6.913 0.037 -9.995 1.00 70.41 N ATOM 120 CA ARG A 9 7.241 -0.678 -11.242 1.00 15.42 C ATOM 121 C ARG A 9 8.648 -0.299 -11.750 1.00 21.34 C ATOM 122 O ARG A 9 9.341 -1.112 -12.364 1.00 41.12 O ATOM 123 CB ARG A 9 6.164 -0.395 -12.304 1.00 60.22 C ATOM 124 CG ARG A 9 5.849 1.088 -12.476 1.00 1.11 C ATOM 125 CD ARG A 9 4.470 1.324 -13.089 1.00 32.13 C ATOM 126 NE ARG A 9 4.403 0.935 -14.497 1.00 15.22 N ATOM 127 CZ ARG A 9 3.702 -0.069 -14.952 1.00 25.10 C ATOM 128 NH1 ARG A 9 3.079 -0.868 -14.142 1.00 55.31 N ATOM 129 NH2 ARG A 9 3.639 -0.280 -16.222 1.00 30.20 N ATOM 0 H ARG A 9 6.101 0.651 -10.063 1.00 70.41 H new ATOM 0 HA ARG A 9 7.253 -1.749 -11.039 1.00 15.42 H new ATOM 0 HB2 ARG A 9 6.494 -0.801 -13.260 1.00 60.22 H new ATOM 0 HB3 ARG A 9 5.250 -0.923 -12.032 1.00 60.22 H new ATOM 0 HG2 ARG A 9 5.902 1.583 -11.506 1.00 1.11 H new ATOM 0 HG3 ARG A 9 6.608 1.547 -13.109 1.00 1.11 H new ATOM 0 HD2 ARG A 9 3.726 0.762 -12.525 1.00 32.13 H new ATOM 0 HD3 ARG A 9 4.211 2.379 -12.995 1.00 32.13 H new ATOM 0 HE ARG A 9 4.939 1.484 -15.169 1.00 15.22 H new ATOM 0 HH11 ARG A 9 3.133 -0.717 -13.135 1.00 55.31 H new ATOM 0 HH12 ARG A 9 2.536 -1.648 -14.512 1.00 55.31 H new ATOM 0 HH21 ARG A 9 4.135 0.336 -16.866 1.00 30.20 H new ATOM 0 HH22 ARG A 9 3.093 -1.063 -16.583 1.00 30.20 H new ATOM 143 N TYR A 10 9.060 0.937 -11.473 1.00 4.42 N ATOM 144 CA TYR A 10 10.426 1.402 -11.753 1.00 52.34 C ATOM 145 C TYR A 10 11.450 0.686 -10.850 1.00 33.25 C ATOM 146 O TYR A 10 12.523 0.276 -11.302 1.00 34.41 O ATOM 147 CB TYR A 10 10.474 2.926 -11.545 1.00 53.20 C ATOM 148 CG TYR A 10 11.855 3.554 -11.580 1.00 21.33 C ATOM 149 CD1 TYR A 10 12.487 3.848 -12.785 1.00 43.35 C ATOM 150 CD2 TYR A 10 12.513 3.882 -10.400 1.00 24.22 C ATOM 151 CE1 TYR A 10 13.732 4.447 -12.809 1.00 71.24 C ATOM 152 CE2 TYR A 10 13.757 4.476 -10.419 1.00 70.31 C ATOM 153 CZ TYR A 10 14.362 4.757 -11.623 1.00 51.24 C ATOM 154 OH TYR A 10 15.601 5.358 -11.637 1.00 12.13 O ATOM 0 H TYR A 10 8.461 1.646 -11.049 1.00 4.42 H new ATOM 0 HA TYR A 10 10.690 1.165 -12.784 1.00 52.34 H new ATOM 0 HB2 TYR A 10 9.861 3.398 -12.313 1.00 53.20 H new ATOM 0 HB3 TYR A 10 10.015 3.157 -10.584 1.00 53.20 H new ATOM 0 HD1 TYR A 10 11.997 3.604 -13.716 1.00 43.35 H new ATOM 0 HD2 TYR A 10 12.042 3.668 -9.452 1.00 24.22 H new ATOM 0 HE1 TYR A 10 14.209 4.671 -13.752 1.00 71.24 H new ATOM 0 HE2 TYR A 10 14.255 4.720 -9.492 1.00 70.31 H new ATOM 0 HH TYR A 10 16.196 4.866 -12.240 1.00 12.13 H new ATOM 164 N ALA A 11 11.098 0.522 -9.577 1.00 21.12 N ATOM 165 CA ALA A 11 11.957 -0.167 -8.608 1.00 62.03 C ATOM 166 C ALA A 11 12.129 -1.650 -8.968 1.00 54.10 C ATOM 167 O ALA A 11 13.241 -2.181 -8.940 1.00 2.51 O ATOM 168 CB ALA A 11 11.388 -0.021 -7.201 1.00 52.22 C ATOM 0 H ALA A 11 10.218 0.859 -9.187 1.00 21.12 H new ATOM 0 HA ALA A 11 12.942 0.299 -8.640 1.00 62.03 H new ATOM 0 HB1 ALA A 11 12.035 -0.537 -6.492 1.00 52.22 H new ATOM 0 HB2 ALA A 11 11.332 1.036 -6.939 1.00 52.22 H new ATOM 0 HB3 ALA A 11 10.390 -0.457 -7.165 1.00 52.22 H new ATOM 174 N LEU A 12 11.024 -2.317 -9.303 1.00 31.40 N ATOM 175 CA LEU A 12 11.076 -3.709 -9.762 1.00 2.05 C ATOM 176 C LEU A 12 11.925 -3.847 -11.034 1.00 2.34 C ATOM 177 O LEU A 12 12.676 -4.809 -11.184 1.00 43.04 O ATOM 178 CB LEU A 12 9.659 -4.264 -9.999 1.00 30.13 C ATOM 179 CG LEU A 12 8.942 -4.817 -8.751 1.00 11.50 C ATOM 180 CD1 LEU A 12 9.747 -5.955 -8.131 1.00 4.00 C ATOM 181 CD2 LEU A 12 8.684 -3.717 -7.724 1.00 51.41 C ATOM 0 H LEU A 12 10.085 -1.920 -9.266 1.00 31.40 H new ATOM 0 HA LEU A 12 11.549 -4.296 -8.975 1.00 2.05 H new ATOM 0 HB2 LEU A 12 9.045 -3.472 -10.427 1.00 30.13 H new ATOM 0 HB3 LEU A 12 9.719 -5.058 -10.743 1.00 30.13 H new ATOM 0 HG LEU A 12 7.975 -5.208 -9.068 1.00 11.50 H new ATOM 0 HD11 LEU A 12 9.225 -6.333 -7.252 1.00 4.00 H new ATOM 0 HD12 LEU A 12 9.861 -6.759 -8.858 1.00 4.00 H new ATOM 0 HD13 LEU A 12 10.731 -5.588 -7.839 1.00 4.00 H new ATOM 0 HD21 LEU A 12 8.177 -4.140 -6.857 1.00 51.41 H new ATOM 0 HD22 LEU A 12 9.633 -3.280 -7.413 1.00 51.41 H new ATOM 0 HD23 LEU A 12 8.057 -2.944 -8.169 1.00 51.41 H new ATOM 193 N ALA A 13 11.803 -2.885 -11.945 1.00 34.02 N ATOM 194 CA ALA A 13 12.637 -2.856 -13.152 1.00 4.42 C ATOM 195 C ALA A 13 14.130 -2.891 -12.791 1.00 42.44 C ATOM 196 O ALA A 13 14.892 -3.700 -13.327 1.00 5.33 O ATOM 197 CB ALA A 13 12.314 -1.623 -13.987 1.00 34.45 C ATOM 0 H ALA A 13 11.138 -2.115 -11.874 1.00 34.02 H new ATOM 0 HA ALA A 13 12.415 -3.745 -13.743 1.00 4.42 H new ATOM 0 HB1 ALA A 13 12.940 -1.614 -14.879 1.00 34.45 H new ATOM 0 HB2 ALA A 13 11.264 -1.647 -14.280 1.00 34.45 H new ATOM 0 HB3 ALA A 13 12.506 -0.725 -13.400 1.00 34.45 H new ATOM 203 N GLN A 14 14.534 -2.022 -11.863 1.00 30.23 N ATOM 204 CA GLN A 14 15.911 -2.010 -11.356 1.00 72.10 C ATOM 205 C GLN A 14 16.278 -3.360 -10.716 1.00 0.41 C ATOM 206 O GLN A 14 17.347 -3.912 -10.977 1.00 0.52 O ATOM 207 CB GLN A 14 16.086 -0.882 -10.332 1.00 61.25 C ATOM 208 CG GLN A 14 15.835 0.511 -10.898 1.00 21.43 C ATOM 209 CD GLN A 14 15.942 1.596 -9.841 1.00 62.04 C ATOM 210 OE1 GLN A 14 14.963 1.952 -9.196 1.00 32.23 O ATOM 211 NE2 GLN A 14 17.134 2.124 -9.648 1.00 63.20 N ATOM 0 H GLN A 14 13.928 -1.316 -11.446 1.00 30.23 H new ATOM 0 HA GLN A 14 16.580 -1.839 -12.199 1.00 72.10 H new ATOM 0 HB2 GLN A 14 15.405 -1.053 -9.498 1.00 61.25 H new ATOM 0 HB3 GLN A 14 17.098 -0.923 -9.930 1.00 61.25 H new ATOM 0 HG2 GLN A 14 16.553 0.711 -11.694 1.00 21.43 H new ATOM 0 HG3 GLN A 14 14.843 0.543 -11.348 1.00 21.43 H new ATOM 0 HE21 GLN A 14 17.929 1.805 -10.202 1.00 63.20 H new ATOM 0 HE22 GLN A 14 17.262 2.852 -8.945 1.00 63.20 H new ATOM 220 N GLU A 15 15.377 -3.888 -9.882 1.00 11.22 N ATOM 221 CA GLU A 15 15.565 -5.206 -9.260 1.00 11.04 C ATOM 222 C GLU A 15 15.793 -6.297 -10.317 1.00 63.22 C ATOM 223 O GLU A 15 16.642 -7.172 -10.147 1.00 13.50 O ATOM 224 CB GLU A 15 14.353 -5.558 -8.375 1.00 4.05 C ATOM 225 CG GLU A 15 14.578 -5.308 -6.885 1.00 32.40 C ATOM 226 CD GLU A 15 15.459 -6.371 -6.236 1.00 64.03 C ATOM 227 OE1 GLU A 15 16.699 -6.308 -6.380 1.00 64.23 O ATOM 228 OE2 GLU A 15 14.911 -7.284 -5.579 1.00 23.24 O ATOM 0 H GLU A 15 14.508 -3.423 -9.620 1.00 11.22 H new ATOM 0 HA GLU A 15 16.456 -5.157 -8.635 1.00 11.04 H new ATOM 0 HB2 GLU A 15 13.494 -4.975 -8.705 1.00 4.05 H new ATOM 0 HB3 GLU A 15 14.101 -6.608 -8.523 1.00 4.05 H new ATOM 0 HG2 GLU A 15 15.038 -4.329 -6.750 1.00 32.40 H new ATOM 0 HG3 GLU A 15 13.615 -5.280 -6.376 1.00 32.40 H new ATOM 235 N HIS A 16 15.045 -6.235 -11.415 1.00 13.22 N ATOM 236 CA HIS A 16 15.223 -7.188 -12.513 1.00 43.52 C ATOM 237 C HIS A 16 16.613 -7.036 -13.151 1.00 33.34 C ATOM 238 O HIS A 16 17.306 -8.028 -13.371 1.00 53.11 O ATOM 239 CB HIS A 16 14.113 -7.034 -13.563 1.00 13.22 C ATOM 240 CG HIS A 16 12.796 -7.592 -13.114 1.00 64.10 C ATOM 241 ND1 HIS A 16 12.547 -8.948 -13.007 1.00 45.33 N ATOM 242 CD2 HIS A 16 11.655 -6.977 -12.726 1.00 11.45 C ATOM 243 CE1 HIS A 16 11.317 -9.132 -12.572 1.00 52.15 C ATOM 244 NE2 HIS A 16 10.758 -7.958 -12.395 1.00 72.21 N ATOM 0 H HIS A 16 14.314 -5.541 -11.570 1.00 13.22 H new ATOM 0 HA HIS A 16 15.152 -8.194 -12.100 1.00 43.52 H new ATOM 0 HB2 HIS A 16 13.991 -5.977 -13.801 1.00 13.22 H new ATOM 0 HB3 HIS A 16 14.418 -7.535 -14.482 1.00 13.22 H new ATOM 0 HD1 HIS A 16 13.211 -9.689 -13.230 1.00 45.33 H new ATOM 0 HD2 HIS A 16 11.483 -5.912 -12.685 1.00 11.45 H new ATOM 0 HE1 HIS A 16 10.848 -10.088 -12.392 1.00 52.15 H new ATOM 253 N LEU A 17 17.026 -5.797 -13.426 1.00 4.04 N ATOM 254 CA LEU A 17 18.385 -5.530 -13.925 1.00 73.32 C ATOM 255 C LEU A 17 19.443 -6.127 -12.982 1.00 60.21 C ATOM 256 O LEU A 17 20.409 -6.755 -13.422 1.00 51.41 O ATOM 257 CB LEU A 17 18.618 -4.018 -14.069 1.00 14.42 C ATOM 258 CG LEU A 17 17.780 -3.315 -15.151 1.00 23.41 C ATOM 259 CD1 LEU A 17 18.025 -1.806 -15.131 1.00 61.41 C ATOM 260 CD2 LEU A 17 18.086 -3.892 -16.534 1.00 63.14 C ATOM 0 H LEU A 17 16.447 -4.965 -13.314 1.00 4.04 H new ATOM 0 HA LEU A 17 18.480 -6.002 -14.903 1.00 73.32 H new ATOM 0 HB2 LEU A 17 18.411 -3.544 -13.110 1.00 14.42 H new ATOM 0 HB3 LEU A 17 19.673 -3.850 -14.286 1.00 14.42 H new ATOM 0 HG LEU A 17 16.727 -3.493 -14.932 1.00 23.41 H new ATOM 0 HD11 LEU A 17 17.422 -1.329 -15.904 1.00 61.41 H new ATOM 0 HD12 LEU A 17 17.748 -1.405 -14.156 1.00 61.41 H new ATOM 0 HD13 LEU A 17 19.080 -1.606 -15.319 1.00 61.41 H new ATOM 0 HD21 LEU A 17 17.482 -3.380 -17.283 1.00 63.14 H new ATOM 0 HD22 LEU A 17 19.143 -3.751 -16.761 1.00 63.14 H new ATOM 0 HD23 LEU A 17 17.851 -4.956 -16.544 1.00 63.14 H new ATOM 272 N LYS A 18 19.240 -5.930 -11.681 1.00 71.24 N ATOM 273 CA LYS A 18 20.128 -6.485 -10.652 1.00 55.42 C ATOM 274 C LYS A 18 20.111 -8.024 -10.668 1.00 33.12 C ATOM 275 O LYS A 18 21.133 -8.671 -10.447 1.00 1.14 O ATOM 276 CB LYS A 18 19.701 -5.974 -9.268 1.00 72.12 C ATOM 277 CG LYS A 18 19.785 -4.456 -9.119 1.00 44.52 C ATOM 278 CD LYS A 18 19.115 -3.965 -7.834 1.00 13.34 C ATOM 279 CE LYS A 18 19.752 -4.568 -6.588 1.00 1.42 C ATOM 280 NZ LYS A 18 21.192 -4.216 -6.473 1.00 32.54 N ATOM 0 H LYS A 18 18.462 -5.386 -11.308 1.00 71.24 H new ATOM 0 HA LYS A 18 21.145 -6.156 -10.868 1.00 55.42 H new ATOM 0 HB2 LYS A 18 18.677 -6.293 -9.073 1.00 72.12 H new ATOM 0 HB3 LYS A 18 20.330 -6.440 -8.509 1.00 72.12 H new ATOM 0 HG2 LYS A 18 20.831 -4.149 -9.122 1.00 44.52 H new ATOM 0 HG3 LYS A 18 19.311 -3.981 -9.978 1.00 44.52 H new ATOM 0 HD2 LYS A 18 19.181 -2.878 -7.784 1.00 13.34 H new ATOM 0 HD3 LYS A 18 18.055 -4.220 -7.858 1.00 13.34 H new ATOM 0 HE2 LYS A 18 19.221 -4.217 -5.703 1.00 1.42 H new ATOM 0 HE3 LYS A 18 19.645 -5.652 -6.615 1.00 1.42 H new ATOM 0 HZ1 LYS A 18 21.549 -4.514 -5.543 1.00 32.54 H new ATOM 0 HZ2 LYS A 18 21.728 -4.700 -7.221 1.00 32.54 H new ATOM 0 HZ3 LYS A 18 21.307 -3.187 -6.575 1.00 32.54 H new ATOM 294 N HIS A 19 18.940 -8.602 -10.939 1.00 11.54 N ATOM 295 CA HIS A 19 18.778 -10.065 -10.974 1.00 33.13 C ATOM 296 C HIS A 19 19.038 -10.633 -12.385 1.00 3.45 C ATOM 297 O HIS A 19 18.605 -11.743 -12.703 1.00 72.45 O ATOM 298 CB HIS A 19 17.364 -10.449 -10.511 1.00 51.31 C ATOM 299 CG HIS A 19 17.024 -10.006 -9.116 1.00 44.52 C ATOM 300 ND1 HIS A 19 15.878 -10.401 -8.467 1.00 20.23 N ATOM 301 CD2 HIS A 19 17.663 -9.173 -8.260 1.00 44.34 C ATOM 302 CE1 HIS A 19 15.825 -9.835 -7.283 1.00 31.42 C ATOM 303 NE2 HIS A 19 16.893 -9.081 -7.128 1.00 65.01 N ATOM 0 H HIS A 19 18.085 -8.082 -11.138 1.00 11.54 H new ATOM 0 HA HIS A 19 19.515 -10.497 -10.297 1.00 33.13 H new ATOM 0 HB2 HIS A 19 16.639 -10.018 -11.202 1.00 51.31 H new ATOM 0 HB3 HIS A 19 17.257 -11.532 -10.571 1.00 51.31 H new ATOM 0 HD2 HIS A 19 18.604 -8.674 -8.436 1.00 44.34 H new ATOM 0 HE1 HIS A 19 15.036 -9.966 -6.557 1.00 31.42 H new ATOM 0 HE2 HIS A 19 17.112 -8.522 -6.304 1.00 65.01 H new ATOM 312 N ASP A 20 19.732 -9.853 -13.224 1.00 41.33 N ATOM 313 CA ASP A 20 20.128 -10.278 -14.581 1.00 53.13 C ATOM 314 C ASP A 20 18.927 -10.325 -15.558 1.00 15.10 C ATOM 315 O ASP A 20 19.085 -10.615 -16.746 1.00 44.33 O ATOM 316 CB ASP A 20 20.842 -11.640 -14.519 1.00 73.04 C ATOM 317 CG ASP A 20 21.556 -11.991 -15.811 1.00 20.21 C ATOM 318 OD1 ASP A 20 22.707 -11.539 -15.996 1.00 51.20 O ATOM 319 OD2 ASP A 20 20.981 -12.724 -16.641 1.00 61.11 O ATOM 0 H ASP A 20 20.037 -8.909 -12.985 1.00 41.33 H new ATOM 0 HA ASP A 20 20.818 -9.531 -14.973 1.00 53.13 H new ATOM 0 HB2 ASP A 20 21.564 -11.630 -13.702 1.00 73.04 H new ATOM 0 HB3 ASP A 20 20.113 -12.417 -14.290 1.00 73.04 H new ATOM 324 N ASN A 21 17.733 -10.017 -15.057 1.00 44.32 N ATOM 325 CA ASN A 21 16.518 -10.007 -15.883 1.00 24.12 C ATOM 326 C ASN A 21 16.458 -8.747 -16.770 1.00 42.05 C ATOM 327 O ASN A 21 15.620 -7.864 -16.561 1.00 15.44 O ATOM 328 CB ASN A 21 15.273 -10.068 -14.987 1.00 42.24 C ATOM 329 CG ASN A 21 15.264 -11.254 -14.043 1.00 3.21 C ATOM 330 OD1 ASN A 21 14.843 -11.142 -12.897 1.00 42.22 O ATOM 331 ND2 ASN A 21 15.681 -12.401 -14.523 1.00 55.41 N ATOM 0 H ASN A 21 17.576 -9.770 -14.080 1.00 44.32 H new ATOM 0 HA ASN A 21 16.544 -10.883 -16.532 1.00 24.12 H new ATOM 0 HB2 ASN A 21 15.210 -9.149 -14.404 1.00 42.24 H new ATOM 0 HB3 ASN A 21 14.384 -10.108 -15.616 1.00 42.24 H new ATOM 0 HD21 ASN A 21 15.661 -13.236 -13.938 1.00 55.41 H new ATOM 0 HD22 ASN A 21 16.025 -12.458 -15.482 1.00 55.41 H new ATOM 338 N ALA A 22 17.353 -8.668 -17.753 1.00 50.21 N ATOM 339 CA ALA A 22 17.438 -7.501 -18.640 1.00 73.15 C ATOM 340 C ALA A 22 16.154 -7.300 -19.466 1.00 13.33 C ATOM 341 O ALA A 22 15.582 -6.212 -19.479 1.00 44.03 O ATOM 342 CB ALA A 22 18.649 -7.632 -19.559 1.00 54.42 C ATOM 0 H ALA A 22 18.034 -9.399 -17.959 1.00 50.21 H new ATOM 0 HA ALA A 22 17.553 -6.618 -18.011 1.00 73.15 H new ATOM 0 HB1 ALA A 22 18.705 -6.762 -20.214 1.00 54.42 H new ATOM 0 HB2 ALA A 22 19.557 -7.693 -18.958 1.00 54.42 H new ATOM 0 HB3 ALA A 22 18.552 -8.535 -20.162 1.00 54.42 H new ATOM 348 N SER A 23 15.703 -8.357 -20.141 1.00 31.42 N ATOM 349 CA SER A 23 14.487 -8.294 -20.970 1.00 15.44 C ATOM 350 C SER A 23 13.243 -8.004 -20.122 1.00 40.41 C ATOM 351 O SER A 23 12.370 -7.233 -20.518 1.00 42.35 O ATOM 352 CB SER A 23 14.290 -9.611 -21.731 1.00 15.41 C ATOM 353 OG SER A 23 13.155 -9.555 -22.586 1.00 74.30 O ATOM 0 H SER A 23 16.158 -9.270 -20.134 1.00 31.42 H new ATOM 0 HA SER A 23 14.618 -7.478 -21.680 1.00 15.44 H new ATOM 0 HB2 SER A 23 15.181 -9.828 -22.321 1.00 15.41 H new ATOM 0 HB3 SER A 23 14.171 -10.429 -21.020 1.00 15.41 H new ATOM 0 HG SER A 23 13.058 -10.409 -23.057 1.00 74.30 H new ATOM 359 N ARG A 24 13.169 -8.634 -18.952 1.00 42.10 N ATOM 360 CA ARG A 24 12.054 -8.419 -18.022 1.00 54.15 C ATOM 361 C ARG A 24 11.988 -6.954 -17.560 1.00 41.23 C ATOM 362 O ARG A 24 10.914 -6.351 -17.513 1.00 41.42 O ATOM 363 CB ARG A 24 12.194 -9.365 -16.823 1.00 42.33 C ATOM 364 CG ARG A 24 12.213 -10.838 -17.220 1.00 64.44 C ATOM 365 CD ARG A 24 10.918 -11.266 -17.911 1.00 3.11 C ATOM 366 NE ARG A 24 11.064 -12.550 -18.588 1.00 12.13 N ATOM 367 CZ ARG A 24 10.094 -13.179 -19.194 1.00 42.30 C ATOM 368 NH1 ARG A 24 8.886 -12.706 -19.188 1.00 74.41 N ATOM 369 NH2 ARG A 24 10.339 -14.292 -19.807 1.00 2.22 N ATOM 0 H ARG A 24 13.868 -9.300 -18.621 1.00 42.10 H new ATOM 0 HA ARG A 24 11.120 -8.638 -18.540 1.00 54.15 H new ATOM 0 HB2 ARG A 24 13.113 -9.128 -16.286 1.00 42.33 H new ATOM 0 HB3 ARG A 24 11.368 -9.192 -16.133 1.00 42.33 H new ATOM 0 HG2 ARG A 24 13.056 -11.022 -17.886 1.00 64.44 H new ATOM 0 HG3 ARG A 24 12.368 -11.450 -16.332 1.00 64.44 H new ATOM 0 HD2 ARG A 24 10.118 -11.333 -17.174 1.00 3.11 H new ATOM 0 HD3 ARG A 24 10.623 -10.505 -18.634 1.00 3.11 H new ATOM 0 HE ARG A 24 11.986 -12.986 -18.588 1.00 12.13 H new ATOM 0 HH11 ARG A 24 8.683 -11.831 -18.705 1.00 74.41 H new ATOM 0 HH12 ARG A 24 8.139 -13.209 -19.666 1.00 74.41 H new ATOM 0 HH21 ARG A 24 11.285 -14.672 -19.815 1.00 2.22 H new ATOM 0 HH22 ARG A 24 9.586 -14.789 -20.283 1.00 2.22 H new ATOM 383 N ALA A 25 13.146 -6.383 -17.234 1.00 20.43 N ATOM 384 CA ALA A 25 13.234 -4.963 -16.881 1.00 13.20 C ATOM 385 C ALA A 25 12.894 -4.074 -18.085 1.00 64.43 C ATOM 386 O ALA A 25 12.190 -3.072 -17.954 1.00 4.33 O ATOM 387 CB ALA A 25 14.625 -4.635 -16.360 1.00 12.51 C ATOM 0 H ALA A 25 14.037 -6.879 -17.206 1.00 20.43 H new ATOM 0 HA ALA A 25 12.506 -4.763 -16.095 1.00 13.20 H new ATOM 0 HB1 ALA A 25 14.677 -3.577 -16.102 1.00 12.51 H new ATOM 0 HB2 ALA A 25 14.833 -5.236 -15.474 1.00 12.51 H new ATOM 0 HB3 ALA A 25 15.364 -4.857 -17.130 1.00 12.51 H new ATOM 393 N LEU A 26 13.401 -4.460 -19.258 1.00 54.33 N ATOM 394 CA LEU A 26 13.128 -3.748 -20.510 1.00 64.25 C ATOM 395 C LEU A 26 11.615 -3.599 -20.739 1.00 5.04 C ATOM 396 O LEU A 26 11.123 -2.503 -21.000 1.00 21.41 O ATOM 397 CB LEU A 26 13.777 -4.501 -21.686 1.00 73.52 C ATOM 398 CG LEU A 26 13.666 -3.825 -23.064 1.00 34.40 C ATOM 399 CD1 LEU A 26 14.334 -2.454 -23.056 1.00 32.01 C ATOM 400 CD2 LEU A 26 14.273 -4.714 -24.148 1.00 65.34 C ATOM 0 H LEU A 26 14.010 -5.271 -19.368 1.00 54.33 H new ATOM 0 HA LEU A 26 13.557 -2.748 -20.443 1.00 64.25 H new ATOM 0 HB2 LEU A 26 14.833 -4.647 -21.459 1.00 73.52 H new ATOM 0 HB3 LEU A 26 13.325 -5.491 -21.752 1.00 73.52 H new ATOM 0 HG LEU A 26 12.609 -3.683 -23.287 1.00 34.40 H new ATOM 0 HD11 LEU A 26 14.241 -1.998 -24.042 1.00 32.01 H new ATOM 0 HD12 LEU A 26 13.850 -1.818 -22.315 1.00 32.01 H new ATOM 0 HD13 LEU A 26 15.389 -2.565 -22.805 1.00 32.01 H new ATOM 0 HD21 LEU A 26 14.185 -4.220 -25.115 1.00 65.34 H new ATOM 0 HD22 LEU A 26 15.325 -4.892 -23.926 1.00 65.34 H new ATOM 0 HD23 LEU A 26 13.742 -5.666 -24.178 1.00 65.34 H new ATOM 412 N ALA A 27 10.886 -4.709 -20.608 1.00 60.32 N ATOM 413 CA ALA A 27 9.424 -4.710 -20.757 1.00 11.21 C ATOM 414 C ALA A 27 8.747 -3.738 -19.778 1.00 63.42 C ATOM 415 O ALA A 27 7.749 -3.096 -20.114 1.00 11.42 O ATOM 416 CB ALA A 27 8.881 -6.124 -20.567 1.00 63.30 C ATOM 0 H ALA A 27 11.284 -5.624 -20.398 1.00 60.32 H new ATOM 0 HA ALA A 27 9.192 -4.367 -21.765 1.00 11.21 H new ATOM 0 HB1 ALA A 27 7.797 -6.116 -20.679 1.00 63.30 H new ATOM 0 HB2 ALA A 27 9.318 -6.785 -21.315 1.00 63.30 H new ATOM 0 HB3 ALA A 27 9.140 -6.482 -19.571 1.00 63.30 H new ATOM 422 N LEU A 28 9.288 -3.636 -18.564 1.00 74.44 N ATOM 423 CA LEU A 28 8.762 -2.700 -17.564 1.00 63.03 C ATOM 424 C LEU A 28 9.042 -1.238 -17.954 1.00 40.32 C ATOM 425 O LEU A 28 8.154 -0.390 -17.872 1.00 30.23 O ATOM 426 CB LEU A 28 9.346 -3.000 -16.178 1.00 64.22 C ATOM 427 CG LEU A 28 8.958 -4.365 -15.587 1.00 41.43 C ATOM 428 CD1 LEU A 28 9.594 -4.559 -14.214 1.00 54.14 C ATOM 429 CD2 LEU A 28 7.438 -4.506 -15.502 1.00 0.33 C ATOM 0 H LEU A 28 10.087 -4.186 -18.248 1.00 74.44 H new ATOM 0 HA LEU A 28 7.681 -2.837 -17.527 1.00 63.03 H new ATOM 0 HB2 LEU A 28 10.433 -2.944 -16.239 1.00 64.22 H new ATOM 0 HB3 LEU A 28 9.025 -2.219 -15.489 1.00 64.22 H new ATOM 0 HG LEU A 28 9.336 -5.142 -16.251 1.00 41.43 H new ATOM 0 HD11 LEU A 28 9.306 -5.531 -13.814 1.00 54.14 H new ATOM 0 HD12 LEU A 28 10.679 -4.511 -14.306 1.00 54.14 H new ATOM 0 HD13 LEU A 28 9.252 -3.774 -13.540 1.00 54.14 H new ATOM 0 HD21 LEU A 28 7.186 -5.479 -15.081 1.00 0.33 H new ATOM 0 HD22 LEU A 28 7.035 -3.719 -14.864 1.00 0.33 H new ATOM 0 HD23 LEU A 28 7.008 -4.420 -16.500 1.00 0.33 H new ATOM 441 N PHE A 29 10.275 -0.944 -18.380 1.00 44.43 N ATOM 442 CA PHE A 29 10.633 0.411 -18.825 1.00 15.12 C ATOM 443 C PHE A 29 9.801 0.835 -20.048 1.00 71.23 C ATOM 444 O PHE A 29 9.222 1.921 -20.070 1.00 14.44 O ATOM 445 CB PHE A 29 12.131 0.508 -19.152 1.00 61.34 C ATOM 446 CG PHE A 29 13.033 0.454 -17.942 1.00 23.13 C ATOM 447 CD1 PHE A 29 12.974 1.447 -16.974 1.00 2.10 C ATOM 448 CD2 PHE A 29 13.944 -0.580 -17.775 1.00 61.34 C ATOM 449 CE1 PHE A 29 13.802 1.409 -15.867 1.00 30.13 C ATOM 450 CE2 PHE A 29 14.775 -0.621 -16.670 1.00 35.51 C ATOM 451 CZ PHE A 29 14.704 0.374 -15.716 1.00 1.31 C ATOM 0 H PHE A 29 11.038 -1.619 -18.427 1.00 44.43 H new ATOM 0 HA PHE A 29 10.410 1.091 -18.003 1.00 15.12 H new ATOM 0 HB2 PHE A 29 12.398 -0.305 -19.827 1.00 61.34 H new ATOM 0 HB3 PHE A 29 12.315 1.439 -19.687 1.00 61.34 H new ATOM 0 HD1 PHE A 29 12.272 2.260 -17.087 1.00 2.10 H new ATOM 0 HD2 PHE A 29 14.005 -1.362 -18.517 1.00 61.34 H new ATOM 0 HE1 PHE A 29 13.743 2.188 -15.121 1.00 30.13 H new ATOM 0 HE2 PHE A 29 15.479 -1.431 -16.554 1.00 35.51 H new ATOM 0 HZ PHE A 29 15.353 0.343 -14.853 1.00 1.31 H new ATOM 461 N GLU A 30 9.738 -0.027 -21.063 1.00 44.35 N ATOM 462 CA GLU A 30 8.941 0.252 -22.265 1.00 14.52 C ATOM 463 C GLU A 30 7.463 0.475 -21.907 1.00 15.25 C ATOM 464 O GLU A 30 6.778 1.305 -22.512 1.00 4.21 O ATOM 465 CB GLU A 30 9.072 -0.899 -23.276 1.00 40.51 C ATOM 466 CG GLU A 30 10.502 -1.138 -23.754 1.00 33.42 C ATOM 467 CD GLU A 30 10.599 -2.204 -24.837 1.00 65.23 C ATOM 468 OE1 GLU A 30 10.531 -3.407 -24.512 1.00 54.41 O ATOM 469 OE2 GLU A 30 10.751 -1.839 -26.024 1.00 52.01 O ATOM 0 H GLU A 30 10.226 -0.922 -21.080 1.00 44.35 H new ATOM 0 HA GLU A 30 9.325 1.166 -22.718 1.00 14.52 H new ATOM 0 HB2 GLU A 30 8.693 -1.814 -22.822 1.00 40.51 H new ATOM 0 HB3 GLU A 30 8.441 -0.686 -24.139 1.00 40.51 H new ATOM 0 HG2 GLU A 30 10.913 -0.203 -24.135 1.00 33.42 H new ATOM 0 HG3 GLU A 30 11.118 -1.434 -22.905 1.00 33.42 H new ATOM 476 N GLU A 31 6.985 -0.263 -20.908 1.00 42.15 N ATOM 477 CA GLU A 31 5.611 -0.117 -20.419 1.00 51.34 C ATOM 478 C GLU A 31 5.448 1.178 -19.601 1.00 62.42 C ATOM 479 O GLU A 31 4.387 1.801 -19.606 1.00 53.31 O ATOM 480 CB GLU A 31 5.229 -1.340 -19.576 1.00 22.43 C ATOM 481 CG GLU A 31 3.756 -1.401 -19.188 1.00 23.41 C ATOM 482 CD GLU A 31 3.393 -2.702 -18.486 1.00 12.02 C ATOM 483 OE1 GLU A 31 3.212 -3.723 -19.183 1.00 64.05 O ATOM 484 OE2 GLU A 31 3.291 -2.707 -17.242 1.00 21.52 O ATOM 0 H GLU A 31 7.530 -0.972 -20.417 1.00 42.15 H new ATOM 0 HA GLU A 31 4.942 -0.052 -21.277 1.00 51.34 H new ATOM 0 HB2 GLU A 31 5.484 -2.243 -20.131 1.00 22.43 H new ATOM 0 HB3 GLU A 31 5.832 -1.343 -18.668 1.00 22.43 H new ATOM 0 HG2 GLU A 31 3.520 -0.561 -18.535 1.00 23.41 H new ATOM 0 HG3 GLU A 31 3.143 -1.291 -20.082 1.00 23.41 H new ATOM 491 N LEU A 32 6.508 1.580 -18.901 1.00 72.12 N ATOM 492 CA LEU A 32 6.518 2.850 -18.162 1.00 51.14 C ATOM 493 C LEU A 32 6.334 4.051 -19.102 1.00 3.44 C ATOM 494 O LEU A 32 5.715 5.045 -18.733 1.00 4.24 O ATOM 495 CB LEU A 32 7.824 2.999 -17.362 1.00 64.23 C ATOM 496 CG LEU A 32 7.778 2.487 -15.913 1.00 63.04 C ATOM 497 CD1 LEU A 32 9.177 2.468 -15.300 1.00 3.33 C ATOM 498 CD2 LEU A 32 6.832 3.351 -15.075 1.00 12.15 C ATOM 0 H LEU A 32 7.374 1.046 -18.828 1.00 72.12 H new ATOM 0 HA LEU A 32 5.677 2.833 -17.469 1.00 51.14 H new ATOM 0 HB2 LEU A 32 8.616 2.468 -17.891 1.00 64.23 H new ATOM 0 HB3 LEU A 32 8.102 4.053 -17.347 1.00 64.23 H new ATOM 0 HG LEU A 32 7.399 1.465 -15.920 1.00 63.04 H new ATOM 0 HD11 LEU A 32 9.120 2.102 -14.275 1.00 3.33 H new ATOM 0 HD12 LEU A 32 9.821 1.811 -15.884 1.00 3.33 H new ATOM 0 HD13 LEU A 32 9.589 3.477 -15.303 1.00 3.33 H new ATOM 0 HD21 LEU A 32 6.809 2.977 -14.051 1.00 12.15 H new ATOM 0 HD22 LEU A 32 7.184 4.383 -15.077 1.00 12.15 H new ATOM 0 HD23 LEU A 32 5.829 3.309 -15.499 1.00 12.15 H new ATOM 510 N VAL A 33 6.878 3.955 -20.314 1.00 3.31 N ATOM 511 CA VAL A 33 6.743 5.024 -21.313 1.00 54.13 C ATOM 512 C VAL A 33 5.266 5.293 -21.666 1.00 11.21 C ATOM 513 O VAL A 33 4.841 6.442 -21.779 1.00 54.23 O ATOM 514 CB VAL A 33 7.524 4.679 -22.607 1.00 41.13 C ATOM 515 CG1 VAL A 33 7.376 5.784 -23.653 1.00 1.11 C ATOM 516 CG2 VAL A 33 8.997 4.420 -22.295 1.00 44.10 C ATOM 0 H VAL A 33 7.417 3.150 -20.632 1.00 3.31 H new ATOM 0 HA VAL A 33 7.164 5.925 -20.867 1.00 54.13 H new ATOM 0 HB VAL A 33 7.097 3.767 -23.024 1.00 41.13 H new ATOM 0 HG11 VAL A 33 7.935 5.514 -24.549 1.00 1.11 H new ATOM 0 HG12 VAL A 33 6.323 5.908 -23.905 1.00 1.11 H new ATOM 0 HG13 VAL A 33 7.765 6.720 -23.251 1.00 1.11 H new ATOM 0 HG21 VAL A 33 9.527 4.180 -23.216 1.00 44.10 H new ATOM 0 HG22 VAL A 33 9.436 5.311 -21.846 1.00 44.10 H new ATOM 0 HG23 VAL A 33 9.080 3.584 -21.600 1.00 44.10 H new ATOM 526 N GLU A 34 4.489 4.224 -21.839 1.00 51.10 N ATOM 527 CA GLU A 34 3.071 4.349 -22.213 1.00 54.51 C ATOM 528 C GLU A 34 2.167 4.648 -21.001 1.00 61.20 C ATOM 529 O GLU A 34 1.131 5.299 -21.143 1.00 13.03 O ATOM 530 CB GLU A 34 2.598 3.085 -22.951 1.00 10.51 C ATOM 531 CG GLU A 34 2.861 1.781 -22.200 1.00 74.10 C ATOM 532 CD GLU A 34 2.531 0.536 -23.012 1.00 32.25 C ATOM 533 OE1 GLU A 34 2.610 0.585 -24.260 1.00 31.23 O ATOM 534 OE2 GLU A 34 2.199 -0.505 -22.408 1.00 2.13 O ATOM 0 H GLU A 34 4.811 3.263 -21.728 1.00 51.10 H new ATOM 0 HA GLU A 34 2.988 5.203 -22.885 1.00 54.51 H new ATOM 0 HB2 GLU A 34 1.528 3.170 -23.143 1.00 10.51 H new ATOM 0 HB3 GLU A 34 3.094 3.038 -23.921 1.00 10.51 H new ATOM 0 HG2 GLU A 34 3.910 1.746 -21.905 1.00 74.10 H new ATOM 0 HG3 GLU A 34 2.272 1.774 -21.283 1.00 74.10 H new ATOM 541 N THR A 35 2.552 4.174 -19.813 1.00 14.43 N ATOM 542 CA THR A 35 1.783 4.460 -18.588 1.00 51.00 C ATOM 543 C THR A 35 2.071 5.875 -18.067 1.00 70.35 C ATOM 544 O THR A 35 1.152 6.667 -17.837 1.00 40.11 O ATOM 545 CB THR A 35 2.077 3.444 -17.451 1.00 20.55 C ATOM 546 OG1 THR A 35 3.460 3.504 -17.060 1.00 45.34 O ATOM 547 CG2 THR A 35 1.730 2.022 -17.883 1.00 24.10 C ATOM 0 H THR A 35 3.381 3.597 -19.669 1.00 14.43 H new ATOM 0 HA THR A 35 0.733 4.374 -18.869 1.00 51.00 H new ATOM 0 HB THR A 35 1.453 3.714 -16.599 1.00 20.55 H new ATOM 0 HG1 THR A 35 3.566 4.150 -16.331 1.00 45.34 H new ATOM 0 HG21 THR A 35 1.946 1.331 -17.068 1.00 24.10 H new ATOM 0 HG22 THR A 35 0.671 1.967 -18.135 1.00 24.10 H new ATOM 0 HG23 THR A 35 2.325 1.751 -18.755 1.00 24.10 H new ATOM 555 N ASP A 36 3.352 6.191 -17.888 1.00 74.20 N ATOM 556 CA ASP A 36 3.779 7.504 -17.385 1.00 62.45 C ATOM 557 C ASP A 36 4.759 8.193 -18.357 1.00 11.21 C ATOM 558 O ASP A 36 5.976 8.155 -18.161 1.00 52.43 O ATOM 559 CB ASP A 36 4.422 7.349 -16.000 1.00 75.23 C ATOM 560 CG ASP A 36 3.461 6.757 -14.985 1.00 4.12 C ATOM 561 OD1 ASP A 36 3.379 5.513 -14.885 1.00 11.33 O ATOM 562 OD2 ASP A 36 2.769 7.538 -14.293 1.00 50.43 O ATOM 0 H ASP A 36 4.122 5.552 -18.085 1.00 74.20 H new ATOM 0 HA ASP A 36 2.896 8.138 -17.304 1.00 62.45 H new ATOM 0 HB2 ASP A 36 5.302 6.711 -16.079 1.00 75.23 H new ATOM 0 HB3 ASP A 36 4.764 8.323 -15.649 1.00 75.23 H new ATOM 567 N PRO A 37 4.236 8.844 -19.418 1.00 3.30 N ATOM 568 CA PRO A 37 5.073 9.497 -20.448 1.00 15.11 C ATOM 569 C PRO A 37 5.879 10.697 -19.913 1.00 12.45 C ATOM 570 O PRO A 37 6.847 11.133 -20.536 1.00 4.40 O ATOM 571 CB PRO A 37 4.048 9.953 -21.499 1.00 2.04 C ATOM 572 CG PRO A 37 2.761 10.073 -20.750 1.00 15.25 C ATOM 573 CD PRO A 37 2.795 8.992 -19.705 1.00 1.32 C ATOM 0 HA PRO A 37 5.834 8.818 -20.834 1.00 15.11 H new ATOM 0 HB2 PRO A 37 4.336 10.905 -21.946 1.00 2.04 H new ATOM 0 HB3 PRO A 37 3.967 9.231 -22.312 1.00 2.04 H new ATOM 0 HG2 PRO A 37 2.665 11.057 -20.292 1.00 15.25 H new ATOM 0 HG3 PRO A 37 1.907 9.947 -21.416 1.00 15.25 H new ATOM 0 HD2 PRO A 37 2.234 9.275 -18.814 1.00 1.32 H new ATOM 0 HD3 PRO A 37 2.360 8.063 -20.073 1.00 1.32 H new ATOM 581 N ASP A 38 5.479 11.229 -18.761 1.00 60.50 N ATOM 582 CA ASP A 38 6.186 12.358 -18.146 1.00 33.20 C ATOM 583 C ASP A 38 7.336 11.887 -17.236 1.00 12.02 C ATOM 584 O ASP A 38 8.173 12.685 -16.810 1.00 2.12 O ATOM 585 CB ASP A 38 5.198 13.214 -17.348 1.00 42.01 C ATOM 586 CG ASP A 38 4.511 12.421 -16.250 1.00 1.42 C ATOM 587 OD1 ASP A 38 3.519 11.723 -16.550 1.00 11.25 O ATOM 588 OD2 ASP A 38 4.959 12.489 -15.087 1.00 2.12 O ATOM 0 H ASP A 38 4.671 10.900 -18.232 1.00 60.50 H new ATOM 0 HA ASP A 38 6.625 12.954 -18.946 1.00 33.20 H new ATOM 0 HB2 ASP A 38 5.726 14.060 -16.907 1.00 42.01 H new ATOM 0 HB3 ASP A 38 4.447 13.624 -18.023 1.00 42.01 H new ATOM 593 N TYR A 39 7.379 10.587 -16.950 1.00 10.33 N ATOM 594 CA TYR A 39 8.391 10.025 -16.051 1.00 22.53 C ATOM 595 C TYR A 39 9.758 9.932 -16.760 1.00 75.34 C ATOM 596 O TYR A 39 10.136 8.882 -17.284 1.00 54.21 O ATOM 597 CB TYR A 39 7.928 8.645 -15.547 1.00 74.11 C ATOM 598 CG TYR A 39 8.669 8.128 -14.322 1.00 61.01 C ATOM 599 CD1 TYR A 39 8.910 8.956 -13.230 1.00 20.22 C ATOM 600 CD2 TYR A 39 9.108 6.809 -14.250 1.00 23.21 C ATOM 601 CE1 TYR A 39 9.565 8.485 -12.110 1.00 12.35 C ATOM 602 CE2 TYR A 39 9.767 6.335 -13.132 1.00 21.24 C ATOM 603 CZ TYR A 39 9.992 7.178 -12.065 1.00 42.41 C ATOM 604 OH TYR A 39 10.642 6.710 -10.947 1.00 52.01 O ATOM 0 H TYR A 39 6.725 9.901 -17.327 1.00 10.33 H new ATOM 0 HA TYR A 39 8.512 10.685 -15.192 1.00 22.53 H new ATOM 0 HB2 TYR A 39 6.864 8.697 -15.315 1.00 74.11 H new ATOM 0 HB3 TYR A 39 8.043 7.922 -16.355 1.00 74.11 H new ATOM 0 HD1 TYR A 39 8.579 9.984 -13.259 1.00 20.22 H new ATOM 0 HD2 TYR A 39 8.930 6.145 -15.083 1.00 23.21 H new ATOM 0 HE1 TYR A 39 9.742 9.141 -11.271 1.00 12.35 H new ATOM 0 HE2 TYR A 39 10.104 5.310 -13.094 1.00 21.24 H new ATOM 0 HH TYR A 39 11.030 5.830 -11.138 1.00 52.01 H new ATOM 614 N VAL A 40 10.480 11.056 -16.786 1.00 41.31 N ATOM 615 CA VAL A 40 11.769 11.162 -17.495 1.00 13.44 C ATOM 616 C VAL A 40 12.768 10.058 -17.091 1.00 10.24 C ATOM 617 O VAL A 40 13.529 9.560 -17.928 1.00 1.31 O ATOM 618 CB VAL A 40 12.422 12.551 -17.260 1.00 73.43 C ATOM 619 CG1 VAL A 40 13.727 12.685 -18.045 1.00 70.33 C ATOM 620 CG2 VAL A 40 11.451 13.674 -17.630 1.00 0.23 C ATOM 0 H VAL A 40 10.194 11.917 -16.320 1.00 41.31 H new ATOM 0 HA VAL A 40 11.539 11.035 -18.553 1.00 13.44 H new ATOM 0 HB VAL A 40 12.658 12.636 -16.199 1.00 73.43 H new ATOM 0 HG11 VAL A 40 14.163 13.667 -17.862 1.00 70.33 H new ATOM 0 HG12 VAL A 40 14.426 11.913 -17.724 1.00 70.33 H new ATOM 0 HG13 VAL A 40 13.524 12.571 -19.110 1.00 70.33 H new ATOM 0 HG21 VAL A 40 11.928 14.639 -17.458 1.00 0.23 H new ATOM 0 HG22 VAL A 40 11.177 13.587 -18.682 1.00 0.23 H new ATOM 0 HG23 VAL A 40 10.555 13.598 -17.014 1.00 0.23 H new ATOM 630 N GLY A 41 12.755 9.679 -15.811 1.00 60.15 N ATOM 631 CA GLY A 41 13.653 8.633 -15.318 1.00 14.35 C ATOM 632 C GLY A 41 13.591 7.343 -16.135 1.00 32.13 C ATOM 633 O GLY A 41 14.602 6.654 -16.307 1.00 12.30 O ATOM 0 H GLY A 41 12.138 10.077 -15.103 1.00 60.15 H new ATOM 0 HA2 GLY A 41 14.676 9.010 -15.325 1.00 14.35 H new ATOM 0 HA3 GLY A 41 13.403 8.409 -14.281 1.00 14.35 H new ATOM 637 N THR A 42 12.403 7.020 -16.639 1.00 20.22 N ATOM 638 CA THR A 42 12.207 5.837 -17.485 1.00 63.01 C ATOM 639 C THR A 42 13.091 5.887 -18.733 1.00 71.41 C ATOM 640 O THR A 42 13.837 4.953 -19.011 1.00 72.31 O ATOM 641 CB THR A 42 10.732 5.699 -17.935 1.00 23.12 C ATOM 642 OG1 THR A 42 9.879 5.537 -16.797 1.00 12.01 O ATOM 643 CG2 THR A 42 10.551 4.517 -18.878 1.00 31.34 C ATOM 0 H THR A 42 11.554 7.562 -16.477 1.00 20.22 H new ATOM 0 HA THR A 42 12.484 4.976 -16.877 1.00 63.01 H new ATOM 0 HB THR A 42 10.461 6.611 -18.467 1.00 23.12 H new ATOM 0 HG1 THR A 42 9.971 6.313 -16.206 1.00 12.01 H new ATOM 0 HG21 THR A 42 9.505 4.446 -19.176 1.00 31.34 H new ATOM 0 HG22 THR A 42 11.172 4.659 -19.763 1.00 31.34 H new ATOM 0 HG23 THR A 42 10.846 3.598 -18.371 1.00 31.34 H new ATOM 651 N TYR A 43 13.009 6.993 -19.470 1.00 12.21 N ATOM 652 CA TYR A 43 13.733 7.148 -20.739 1.00 1.15 C ATOM 653 C TYR A 43 15.250 7.036 -20.548 1.00 75.51 C ATOM 654 O TYR A 43 15.937 6.371 -21.326 1.00 74.22 O ATOM 655 CB TYR A 43 13.387 8.499 -21.376 1.00 41.04 C ATOM 656 CG TYR A 43 11.903 8.687 -21.618 1.00 42.31 C ATOM 657 CD1 TYR A 43 11.302 8.199 -22.770 1.00 30.13 C ATOM 658 CD2 TYR A 43 11.102 9.347 -20.690 1.00 54.30 C ATOM 659 CE1 TYR A 43 9.950 8.364 -22.993 1.00 14.21 C ATOM 660 CE2 TYR A 43 9.748 9.516 -20.907 1.00 14.33 C ATOM 661 CZ TYR A 43 9.177 9.022 -22.060 1.00 53.25 C ATOM 662 OH TYR A 43 7.832 9.193 -22.288 1.00 1.11 O ATOM 0 H TYR A 43 12.445 7.803 -19.211 1.00 12.21 H new ATOM 0 HA TYR A 43 13.421 6.339 -21.399 1.00 1.15 H new ATOM 0 HB2 TYR A 43 13.747 9.300 -20.730 1.00 41.04 H new ATOM 0 HB3 TYR A 43 13.917 8.592 -22.324 1.00 41.04 H new ATOM 0 HD1 TYR A 43 11.902 7.682 -23.504 1.00 30.13 H new ATOM 0 HD2 TYR A 43 11.547 9.734 -19.785 1.00 54.30 H new ATOM 0 HE1 TYR A 43 9.499 7.979 -23.896 1.00 14.21 H new ATOM 0 HE2 TYR A 43 9.141 10.032 -20.178 1.00 14.33 H new ATOM 0 HH TYR A 43 7.487 9.896 -21.698 1.00 1.11 H new ATOM 672 N TYR A 44 15.762 7.688 -19.506 1.00 74.44 N ATOM 673 CA TYR A 44 17.195 7.659 -19.196 1.00 13.23 C ATOM 674 C TYR A 44 17.687 6.224 -18.952 1.00 71.13 C ATOM 675 O TYR A 44 18.690 5.794 -19.514 1.00 75.04 O ATOM 676 CB TYR A 44 17.484 8.535 -17.968 1.00 21.13 C ATOM 677 CG TYR A 44 18.957 8.647 -17.619 1.00 64.24 C ATOM 678 CD1 TYR A 44 19.825 9.386 -18.418 1.00 42.50 C ATOM 679 CD2 TYR A 44 19.481 8.024 -16.490 1.00 53.21 C ATOM 680 CE1 TYR A 44 21.166 9.499 -18.104 1.00 14.42 C ATOM 681 CE2 TYR A 44 20.820 8.136 -16.169 1.00 35.13 C ATOM 682 CZ TYR A 44 21.657 8.874 -16.978 1.00 53.53 C ATOM 683 OH TYR A 44 22.990 8.993 -16.653 1.00 53.33 O ATOM 0 H TYR A 44 15.205 8.246 -18.858 1.00 74.44 H new ATOM 0 HA TYR A 44 17.735 8.055 -20.056 1.00 13.23 H new ATOM 0 HB2 TYR A 44 17.087 9.534 -18.146 1.00 21.13 H new ATOM 0 HB3 TYR A 44 16.948 8.128 -17.110 1.00 21.13 H new ATOM 0 HD1 TYR A 44 19.443 9.880 -19.299 1.00 42.50 H new ATOM 0 HD2 TYR A 44 18.830 7.443 -15.854 1.00 53.21 H new ATOM 0 HE1 TYR A 44 21.826 10.074 -18.737 1.00 14.42 H new ATOM 0 HE2 TYR A 44 21.209 7.647 -15.288 1.00 35.13 H new ATOM 0 HH TYR A 44 23.172 8.493 -15.830 1.00 53.33 H new ATOM 693 N HIS A 45 16.968 5.485 -18.112 1.00 62.32 N ATOM 694 CA HIS A 45 17.340 4.102 -17.792 1.00 4.21 C ATOM 695 C HIS A 45 17.027 3.137 -18.951 1.00 10.40 C ATOM 696 O HIS A 45 17.713 2.129 -19.134 1.00 13.11 O ATOM 697 CB HIS A 45 16.642 3.654 -16.501 1.00 14.22 C ATOM 698 CG HIS A 45 17.199 4.318 -15.276 1.00 54.04 C ATOM 699 ND1 HIS A 45 18.299 3.835 -14.604 1.00 2.40 N ATOM 700 CD2 HIS A 45 16.826 5.442 -14.616 1.00 34.23 C ATOM 701 CE1 HIS A 45 18.577 4.625 -13.589 1.00 12.44 C ATOM 702 NE2 HIS A 45 17.702 5.608 -13.571 1.00 51.22 N ATOM 0 H HIS A 45 16.126 5.815 -17.640 1.00 62.32 H new ATOM 0 HA HIS A 45 18.419 4.074 -17.639 1.00 4.21 H new ATOM 0 HB2 HIS A 45 15.577 3.874 -16.575 1.00 14.22 H new ATOM 0 HB3 HIS A 45 16.738 2.573 -16.398 1.00 14.22 H new ATOM 0 HD2 HIS A 45 15.996 6.086 -14.865 1.00 34.23 H new ATOM 0 HE1 HIS A 45 19.387 4.489 -12.888 1.00 12.44 H new ATOM 0 HE2 HIS A 45 17.678 6.369 -12.892 1.00 51.22 H new ATOM 711 N LEU A 46 15.999 3.459 -19.733 1.00 31.10 N ATOM 712 CA LEU A 46 15.622 2.649 -20.899 1.00 24.33 C ATOM 713 C LEU A 46 16.709 2.706 -21.986 1.00 60.23 C ATOM 714 O LEU A 46 17.085 1.681 -22.565 1.00 33.21 O ATOM 715 CB LEU A 46 14.280 3.140 -21.468 1.00 71.54 C ATOM 716 CG LEU A 46 13.763 2.383 -22.705 1.00 54.23 C ATOM 717 CD1 LEU A 46 13.568 0.903 -22.395 1.00 4.05 C ATOM 718 CD2 LEU A 46 12.463 3.004 -23.215 1.00 50.42 C ATOM 0 H LEU A 46 15.408 4.277 -19.583 1.00 31.10 H new ATOM 0 HA LEU A 46 15.518 1.613 -20.576 1.00 24.33 H new ATOM 0 HB2 LEU A 46 13.527 3.073 -20.683 1.00 71.54 H new ATOM 0 HB3 LEU A 46 14.379 4.195 -21.725 1.00 71.54 H new ATOM 0 HG LEU A 46 14.513 2.468 -23.491 1.00 54.23 H new ATOM 0 HD11 LEU A 46 13.202 0.390 -23.285 1.00 4.05 H new ATOM 0 HD12 LEU A 46 14.519 0.467 -22.090 1.00 4.05 H new ATOM 0 HD13 LEU A 46 12.843 0.793 -21.589 1.00 4.05 H new ATOM 0 HD21 LEU A 46 12.115 2.454 -24.089 1.00 50.42 H new ATOM 0 HD22 LEU A 46 11.706 2.957 -22.432 1.00 50.42 H new ATOM 0 HD23 LEU A 46 12.639 4.045 -23.488 1.00 50.42 H new ATOM 730 N GLY A 47 17.210 3.911 -22.255 1.00 41.13 N ATOM 731 CA GLY A 47 18.270 4.086 -23.241 1.00 33.41 C ATOM 732 C GLY A 47 19.561 3.364 -22.863 1.00 42.23 C ATOM 733 O GLY A 47 20.148 2.656 -23.685 1.00 53.54 O ATOM 0 H GLY A 47 16.900 4.773 -21.807 1.00 41.13 H new ATOM 0 HA2 GLY A 47 17.924 3.719 -24.207 1.00 33.41 H new ATOM 0 HA3 GLY A 47 18.476 5.150 -23.360 1.00 33.41 H new ATOM 737 N LYS A 48 19.997 3.526 -21.610 1.00 62.02 N ATOM 738 CA LYS A 48 21.212 2.857 -21.121 1.00 43.23 C ATOM 739 C LYS A 48 21.108 1.330 -21.285 1.00 23.23 C ATOM 740 O LYS A 48 22.114 0.644 -21.493 1.00 45.01 O ATOM 741 CB LYS A 48 21.465 3.196 -19.641 1.00 2.35 C ATOM 742 CG LYS A 48 21.561 4.693 -19.335 1.00 35.01 C ATOM 743 CD LYS A 48 22.687 5.401 -20.098 1.00 45.34 C ATOM 744 CE LYS A 48 24.084 4.961 -19.654 1.00 44.31 C ATOM 745 NZ LYS A 48 24.461 3.620 -20.179 1.00 11.23 N ATOM 0 H LYS A 48 19.531 4.111 -20.917 1.00 62.02 H new ATOM 0 HA LYS A 48 22.048 3.220 -21.720 1.00 43.23 H new ATOM 0 HB2 LYS A 48 20.662 2.767 -19.042 1.00 2.35 H new ATOM 0 HB3 LYS A 48 22.390 2.714 -19.325 1.00 2.35 H new ATOM 0 HG2 LYS A 48 20.611 5.168 -19.581 1.00 35.01 H new ATOM 0 HG3 LYS A 48 21.717 4.828 -18.265 1.00 35.01 H new ATOM 0 HD2 LYS A 48 22.573 5.206 -21.164 1.00 45.34 H new ATOM 0 HD3 LYS A 48 22.591 6.478 -19.959 1.00 45.34 H new ATOM 0 HE2 LYS A 48 24.815 5.696 -19.990 1.00 44.31 H new ATOM 0 HE3 LYS A 48 24.126 4.945 -18.565 1.00 44.31 H new ATOM 0 HZ1 LYS A 48 25.434 3.651 -20.544 1.00 11.23 H new ATOM 0 HZ2 LYS A 48 24.400 2.918 -19.414 1.00 11.23 H new ATOM 0 HZ3 LYS A 48 23.812 3.353 -20.946 1.00 11.23 H new ATOM 759 N LEU A 49 19.887 0.805 -21.188 1.00 72.14 N ATOM 760 CA LEU A 49 19.643 -0.625 -21.388 1.00 70.02 C ATOM 761 C LEU A 49 19.779 -1.009 -22.875 1.00 73.10 C ATOM 762 O LEU A 49 20.379 -2.035 -23.204 1.00 71.13 O ATOM 763 CB LEU A 49 18.258 -1.006 -20.842 1.00 51.00 C ATOM 764 CG LEU A 49 17.920 -2.509 -20.868 1.00 71.25 C ATOM 765 CD1 LEU A 49 19.043 -3.335 -20.238 1.00 54.42 C ATOM 766 CD2 LEU A 49 16.600 -2.769 -20.149 1.00 0.33 C ATOM 0 H LEU A 49 19.051 1.348 -20.972 1.00 72.14 H new ATOM 0 HA LEU A 49 20.398 -1.185 -20.836 1.00 70.02 H new ATOM 0 HB2 LEU A 49 18.184 -0.653 -19.813 1.00 51.00 H new ATOM 0 HB3 LEU A 49 17.502 -0.472 -21.417 1.00 51.00 H new ATOM 0 HG LEU A 49 17.818 -2.816 -21.909 1.00 71.25 H new ATOM 0 HD11 LEU A 49 18.779 -4.392 -20.269 1.00 54.42 H new ATOM 0 HD12 LEU A 49 19.967 -3.175 -20.793 1.00 54.42 H new ATOM 0 HD13 LEU A 49 19.184 -3.027 -19.202 1.00 54.42 H new ATOM 0 HD21 LEU A 49 16.375 -3.835 -20.176 1.00 0.33 H new ATOM 0 HD22 LEU A 49 16.679 -2.441 -19.113 1.00 0.33 H new ATOM 0 HD23 LEU A 49 15.801 -2.217 -20.644 1.00 0.33 H new ATOM 778 N TYR A 50 19.237 -0.178 -23.773 1.00 14.51 N ATOM 779 CA TYR A 50 19.415 -0.390 -25.221 1.00 24.14 C ATOM 780 C TYR A 50 20.905 -0.400 -25.595 1.00 50.04 C ATOM 781 O TYR A 50 21.346 -1.220 -26.405 1.00 62.24 O ATOM 782 CB TYR A 50 18.687 0.686 -26.042 1.00 73.31 C ATOM 783 CG TYR A 50 17.176 0.534 -26.089 1.00 54.20 C ATOM 784 CD1 TYR A 50 16.590 -0.669 -26.472 1.00 71.32 C ATOM 785 CD2 TYR A 50 16.338 1.596 -25.768 1.00 41.04 C ATOM 786 CE1 TYR A 50 15.216 -0.807 -26.532 1.00 51.13 C ATOM 787 CE2 TYR A 50 14.965 1.465 -25.829 1.00 24.14 C ATOM 788 CZ TYR A 50 14.408 0.262 -26.209 1.00 23.41 C ATOM 789 OH TYR A 50 13.037 0.131 -26.272 1.00 12.41 O ATOM 0 H TYR A 50 18.677 0.639 -23.530 1.00 14.51 H new ATOM 0 HA TYR A 50 18.980 -1.361 -25.458 1.00 24.14 H new ATOM 0 HB2 TYR A 50 18.927 1.665 -25.627 1.00 73.31 H new ATOM 0 HB3 TYR A 50 19.072 0.669 -27.061 1.00 73.31 H new ATOM 0 HD1 TYR A 50 17.220 -1.509 -26.727 1.00 71.32 H new ATOM 0 HD2 TYR A 50 16.768 2.539 -25.466 1.00 41.04 H new ATOM 0 HE1 TYR A 50 14.778 -1.748 -26.831 1.00 51.13 H new ATOM 0 HE2 TYR A 50 14.329 2.302 -25.580 1.00 24.14 H new ATOM 0 HH TYR A 50 12.789 -0.802 -26.100 1.00 12.41 H new ATOM 799 N GLU A 51 21.670 0.517 -24.999 1.00 1.53 N ATOM 800 CA GLU A 51 23.132 0.558 -25.169 1.00 2.11 C ATOM 801 C GLU A 51 23.765 -0.818 -24.892 1.00 62.22 C ATOM 802 O GLU A 51 24.584 -1.310 -25.670 1.00 52.31 O ATOM 803 CB GLU A 51 23.748 1.599 -24.218 1.00 34.01 C ATOM 804 CG GLU A 51 23.392 3.049 -24.541 1.00 13.21 C ATOM 805 CD GLU A 51 23.927 4.033 -23.504 1.00 15.43 C ATOM 806 OE1 GLU A 51 25.003 3.769 -22.919 1.00 33.30 O ATOM 807 OE2 GLU A 51 23.275 5.067 -23.259 1.00 72.50 O ATOM 0 H GLU A 51 21.302 1.248 -24.390 1.00 1.53 H new ATOM 0 HA GLU A 51 23.337 0.835 -26.203 1.00 2.11 H new ATOM 0 HB2 GLU A 51 23.425 1.378 -23.201 1.00 34.01 H new ATOM 0 HB3 GLU A 51 24.833 1.492 -24.238 1.00 34.01 H new ATOM 0 HG2 GLU A 51 23.793 3.307 -25.521 1.00 13.21 H new ATOM 0 HG3 GLU A 51 22.308 3.147 -24.604 1.00 13.21 H new ATOM 814 N ARG A 52 23.360 -1.440 -23.783 1.00 52.22 N ATOM 815 CA ARG A 52 23.883 -2.756 -23.384 1.00 23.23 C ATOM 816 C ARG A 52 23.458 -3.850 -24.380 1.00 74.54 C ATOM 817 O ARG A 52 24.100 -4.897 -24.492 1.00 3.42 O ATOM 818 CB ARG A 52 23.394 -3.105 -21.969 1.00 73.30 C ATOM 819 CG ARG A 52 24.115 -4.293 -21.332 1.00 50.45 C ATOM 820 CD ARG A 52 23.608 -4.571 -19.920 1.00 55.55 C ATOM 821 NE ARG A 52 24.379 -5.615 -19.246 1.00 61.34 N ATOM 822 CZ ARG A 52 23.997 -6.223 -18.157 1.00 62.45 C ATOM 823 NH1 ARG A 52 22.848 -5.954 -17.620 1.00 74.41 N ATOM 824 NH2 ARG A 52 24.763 -7.110 -17.610 1.00 2.02 N ATOM 0 H ARG A 52 22.668 -1.054 -23.140 1.00 52.22 H new ATOM 0 HA ARG A 52 24.972 -2.706 -23.387 1.00 23.23 H new ATOM 0 HB2 ARG A 52 23.519 -2.232 -21.328 1.00 73.30 H new ATOM 0 HB3 ARG A 52 22.326 -3.321 -22.009 1.00 73.30 H new ATOM 0 HG2 ARG A 52 23.973 -5.179 -21.951 1.00 50.45 H new ATOM 0 HG3 ARG A 52 25.186 -4.094 -21.301 1.00 50.45 H new ATOM 0 HD2 ARG A 52 23.654 -3.653 -19.333 1.00 55.55 H new ATOM 0 HD3 ARG A 52 22.560 -4.869 -19.965 1.00 55.55 H new ATOM 0 HE ARG A 52 25.274 -5.885 -19.654 1.00 61.34 H new ATOM 0 HH11 ARG A 52 22.234 -5.262 -18.049 1.00 74.41 H new ATOM 0 HH12 ARG A 52 22.558 -6.435 -16.768 1.00 74.41 H new ATOM 0 HH21 ARG A 52 25.665 -7.334 -18.030 1.00 2.02 H new ATOM 0 HH22 ARG A 52 24.465 -7.586 -16.758 1.00 2.02 H new ATOM 838 N LEU A 53 22.372 -3.594 -25.103 1.00 11.10 N ATOM 839 CA LEU A 53 21.869 -4.521 -26.124 1.00 61.41 C ATOM 840 C LEU A 53 22.418 -4.175 -27.520 1.00 33.13 C ATOM 841 O LEU A 53 21.936 -4.702 -28.526 1.00 22.31 O ATOM 842 CB LEU A 53 20.334 -4.486 -26.152 1.00 32.42 C ATOM 843 CG LEU A 53 19.638 -4.849 -24.828 1.00 4.44 C ATOM 844 CD1 LEU A 53 18.123 -4.707 -24.961 1.00 21.24 C ATOM 845 CD2 LEU A 53 20.012 -6.264 -24.386 1.00 44.20 C ATOM 0 H LEU A 53 21.815 -2.745 -25.003 1.00 11.10 H new ATOM 0 HA LEU A 53 22.211 -5.522 -25.863 1.00 61.41 H new ATOM 0 HB2 LEU A 53 20.016 -3.486 -26.447 1.00 32.42 H new ATOM 0 HB3 LEU A 53 19.986 -5.172 -26.925 1.00 32.42 H new ATOM 0 HG LEU A 53 19.982 -4.154 -24.062 1.00 4.44 H new ATOM 0 HD11 LEU A 53 17.649 -4.968 -24.015 1.00 21.24 H new ATOM 0 HD12 LEU A 53 17.875 -3.677 -25.219 1.00 21.24 H new ATOM 0 HD13 LEU A 53 17.762 -5.374 -25.744 1.00 21.24 H new ATOM 0 HD21 LEU A 53 19.508 -6.497 -23.448 1.00 44.20 H new ATOM 0 HD22 LEU A 53 19.704 -6.977 -25.151 1.00 44.20 H new ATOM 0 HD23 LEU A 53 21.091 -6.328 -24.244 1.00 44.20 H new ATOM 857 N ASP A 54 23.413 -3.279 -27.571 1.00 72.23 N ATOM 858 CA ASP A 54 24.027 -2.832 -28.836 1.00 51.30 C ATOM 859 C ASP A 54 23.054 -1.972 -29.676 1.00 14.10 C ATOM 860 O ASP A 54 23.388 -1.514 -30.769 1.00 50.15 O ATOM 861 CB ASP A 54 24.534 -4.045 -29.638 1.00 51.22 C ATOM 862 CG ASP A 54 25.239 -3.656 -30.928 1.00 3.13 C ATOM 863 OD1 ASP A 54 26.281 -2.971 -30.856 1.00 52.42 O ATOM 864 OD2 ASP A 54 24.758 -4.041 -32.017 1.00 0.44 O ATOM 0 H ASP A 54 23.816 -2.843 -26.742 1.00 72.23 H new ATOM 0 HA ASP A 54 24.878 -2.197 -28.591 1.00 51.30 H new ATOM 0 HB2 ASP A 54 25.219 -4.623 -29.017 1.00 51.22 H new ATOM 0 HB3 ASP A 54 23.691 -4.695 -29.873 1.00 51.22 H new ATOM 869 N ARG A 55 21.861 -1.724 -29.141 1.00 41.33 N ATOM 870 CA ARG A 55 20.852 -0.918 -29.836 1.00 35.21 C ATOM 871 C ARG A 55 21.128 0.583 -29.643 1.00 65.23 C ATOM 872 O ARG A 55 20.333 1.307 -29.040 1.00 75.15 O ATOM 873 CB ARG A 55 19.450 -1.277 -29.322 1.00 34.20 C ATOM 874 CG ARG A 55 19.102 -2.759 -29.447 1.00 14.11 C ATOM 875 CD ARG A 55 19.089 -3.230 -30.900 1.00 45.23 C ATOM 876 NE ARG A 55 18.133 -2.478 -31.709 1.00 21.33 N ATOM 877 CZ ARG A 55 17.333 -3.006 -32.593 1.00 44.24 C ATOM 878 NH1 ARG A 55 17.370 -4.274 -32.852 1.00 73.31 N ATOM 879 NH2 ARG A 55 16.494 -2.252 -33.220 1.00 63.52 N ATOM 0 H ARG A 55 21.566 -2.069 -28.227 1.00 41.33 H new ATOM 0 HA ARG A 55 20.904 -1.138 -30.902 1.00 35.21 H new ATOM 0 HB2 ARG A 55 19.372 -0.983 -28.275 1.00 34.20 H new ATOM 0 HB3 ARG A 55 18.712 -0.694 -29.873 1.00 34.20 H new ATOM 0 HG2 ARG A 55 19.824 -3.349 -28.883 1.00 14.11 H new ATOM 0 HG3 ARG A 55 18.124 -2.940 -29.000 1.00 14.11 H new ATOM 0 HD2 ARG A 55 20.087 -3.123 -31.325 1.00 45.23 H new ATOM 0 HD3 ARG A 55 18.839 -4.290 -30.935 1.00 45.23 H new ATOM 0 HE ARG A 55 18.088 -1.468 -31.573 1.00 21.33 H new ATOM 0 HH11 ARG A 55 18.032 -4.876 -32.362 1.00 73.31 H new ATOM 0 HH12 ARG A 55 16.737 -4.671 -33.546 1.00 73.31 H new ATOM 0 HH21 ARG A 55 16.461 -1.252 -33.022 1.00 63.52 H new ATOM 0 HH22 ARG A 55 15.864 -2.656 -33.913 1.00 63.52 H new ATOM 893 N THR A 56 22.267 1.036 -30.164 1.00 43.53 N ATOM 894 CA THR A 56 22.726 2.421 -29.975 1.00 74.14 C ATOM 895 C THR A 56 21.729 3.446 -30.538 1.00 30.34 C ATOM 896 O THR A 56 21.317 4.369 -29.836 1.00 25.32 O ATOM 897 CB THR A 56 24.109 2.644 -30.639 1.00 60.12 C ATOM 898 OG1 THR A 56 25.033 1.628 -30.203 1.00 22.40 O ATOM 899 CG2 THR A 56 24.671 4.025 -30.302 1.00 32.44 C ATOM 0 H THR A 56 22.897 0.463 -30.725 1.00 43.53 H new ATOM 0 HA THR A 56 22.806 2.573 -28.899 1.00 74.14 H new ATOM 0 HB THR A 56 23.976 2.582 -31.719 1.00 60.12 H new ATOM 0 HG1 THR A 56 25.904 1.774 -30.628 1.00 22.40 H new ATOM 0 HG21 THR A 56 25.641 4.150 -30.783 1.00 32.44 H new ATOM 0 HG22 THR A 56 23.987 4.794 -30.661 1.00 32.44 H new ATOM 0 HG23 THR A 56 24.786 4.117 -29.222 1.00 32.44 H new ATOM 907 N ASP A 57 21.333 3.273 -31.798 1.00 63.42 N ATOM 908 CA ASP A 57 20.377 4.183 -32.438 1.00 31.14 C ATOM 909 C ASP A 57 19.008 4.166 -31.737 1.00 1.04 C ATOM 910 O ASP A 57 18.383 5.211 -31.567 1.00 23.41 O ATOM 911 CB ASP A 57 20.235 3.837 -33.922 1.00 52.55 C ATOM 912 CG ASP A 57 21.490 4.184 -34.705 1.00 41.41 C ATOM 913 OD1 ASP A 57 22.452 3.389 -34.687 1.00 21.22 O ATOM 914 OD2 ASP A 57 21.527 5.272 -35.319 1.00 33.41 O ATOM 0 H ASP A 57 21.657 2.514 -32.397 1.00 63.42 H new ATOM 0 HA ASP A 57 20.768 5.196 -32.346 1.00 31.14 H new ATOM 0 HB2 ASP A 57 20.023 2.773 -34.028 1.00 52.55 H new ATOM 0 HB3 ASP A 57 19.385 4.375 -34.341 1.00 52.55 H new ATOM 919 N ASP A 58 18.551 2.982 -31.329 1.00 40.32 N ATOM 920 CA ASP A 58 17.305 2.853 -30.561 1.00 34.23 C ATOM 921 C ASP A 58 17.382 3.641 -29.241 1.00 74.32 C ATOM 922 O ASP A 58 16.423 4.307 -28.842 1.00 73.40 O ATOM 923 CB ASP A 58 17.018 1.377 -30.275 1.00 12.14 C ATOM 924 CG ASP A 58 16.913 0.557 -31.548 1.00 22.13 C ATOM 925 OD1 ASP A 58 17.949 0.342 -32.208 1.00 61.10 O ATOM 926 OD2 ASP A 58 15.803 0.106 -31.888 1.00 74.35 O ATOM 0 H ASP A 58 19.022 2.097 -31.516 1.00 40.32 H new ATOM 0 HA ASP A 58 16.493 3.270 -31.157 1.00 34.23 H new ATOM 0 HB2 ASP A 58 17.810 0.970 -29.647 1.00 12.14 H new ATOM 0 HB3 ASP A 58 16.089 1.292 -29.712 1.00 12.14 H new ATOM 931 N ALA A 59 18.532 3.556 -28.569 1.00 54.34 N ATOM 932 CA ALA A 59 18.774 4.318 -27.340 1.00 31.42 C ATOM 933 C ALA A 59 18.721 5.829 -27.606 1.00 71.15 C ATOM 934 O ALA A 59 17.971 6.559 -26.957 1.00 51.51 O ATOM 935 CB ALA A 59 20.123 3.932 -26.740 1.00 32.03 C ATOM 0 H ALA A 59 19.313 2.966 -28.855 1.00 54.34 H new ATOM 0 HA ALA A 59 17.986 4.074 -26.628 1.00 31.42 H new ATOM 0 HB1 ALA A 59 20.292 4.504 -25.828 1.00 32.03 H new ATOM 0 HB2 ALA A 59 20.126 2.867 -26.507 1.00 32.03 H new ATOM 0 HB3 ALA A 59 20.915 4.149 -27.457 1.00 32.03 H new ATOM 941 N ILE A 60 19.508 6.285 -28.580 1.00 65.23 N ATOM 942 CA ILE A 60 19.563 7.706 -28.946 1.00 33.33 C ATOM 943 C ILE A 60 18.185 8.231 -29.378 1.00 40.33 C ATOM 944 O ILE A 60 17.792 9.341 -29.017 1.00 12.50 O ATOM 945 CB ILE A 60 20.584 7.940 -30.085 1.00 42.32 C ATOM 946 CG1 ILE A 60 21.971 7.422 -29.669 1.00 61.13 C ATOM 947 CG2 ILE A 60 20.655 9.423 -30.458 1.00 50.24 C ATOM 948 CD1 ILE A 60 22.983 7.413 -30.793 1.00 73.12 C ATOM 0 H ILE A 60 20.122 5.689 -29.135 1.00 65.23 H new ATOM 0 HA ILE A 60 19.880 8.254 -28.059 1.00 33.33 H new ATOM 0 HB ILE A 60 20.252 7.387 -30.963 1.00 42.32 H new ATOM 0 HG12 ILE A 60 22.351 8.041 -28.856 1.00 61.13 H new ATOM 0 HG13 ILE A 60 21.868 6.410 -29.278 1.00 61.13 H new ATOM 0 HG21 ILE A 60 21.379 9.562 -31.261 1.00 50.24 H new ATOM 0 HG22 ILE A 60 19.674 9.762 -30.792 1.00 50.24 H new ATOM 0 HG23 ILE A 60 20.962 10.003 -29.588 1.00 50.24 H new ATOM 0 HD11 ILE A 60 23.936 7.035 -30.422 1.00 73.12 H new ATOM 0 HD12 ILE A 60 22.627 6.771 -31.598 1.00 73.12 H new ATOM 0 HD13 ILE A 60 23.117 8.427 -31.170 1.00 73.12 H new ATOM 960 N ASP A 61 17.457 7.423 -30.145 1.00 23.12 N ATOM 961 CA ASP A 61 16.095 7.763 -30.569 1.00 4.30 C ATOM 962 C ASP A 61 15.166 7.916 -29.351 1.00 74.52 C ATOM 963 O ASP A 61 14.369 8.854 -29.271 1.00 64.21 O ATOM 964 CB ASP A 61 15.567 6.683 -31.518 1.00 62.24 C ATOM 965 CG ASP A 61 14.179 6.995 -32.046 1.00 4.24 C ATOM 966 OD1 ASP A 61 14.052 7.917 -32.877 1.00 14.31 O ATOM 967 OD2 ASP A 61 13.213 6.325 -31.629 1.00 41.32 O ATOM 0 H ASP A 61 17.788 6.522 -30.489 1.00 23.12 H new ATOM 0 HA ASP A 61 16.117 8.718 -31.094 1.00 4.30 H new ATOM 0 HB2 ASP A 61 16.254 6.575 -32.357 1.00 62.24 H new ATOM 0 HB3 ASP A 61 15.546 5.726 -30.997 1.00 62.24 H new ATOM 972 N THR A 62 15.285 6.989 -28.401 1.00 22.14 N ATOM 973 CA THR A 62 14.547 7.074 -27.133 1.00 31.03 C ATOM 974 C THR A 62 14.932 8.342 -26.352 1.00 74.21 C ATOM 975 O THR A 62 14.076 9.001 -25.755 1.00 23.54 O ATOM 976 CB THR A 62 14.790 5.825 -26.244 1.00 50.31 C ATOM 977 OG1 THR A 62 14.280 4.648 -26.895 1.00 0.51 O ATOM 978 CG2 THR A 62 14.127 5.971 -24.874 1.00 61.23 C ATOM 0 H THR A 62 15.885 6.168 -28.482 1.00 22.14 H new ATOM 0 HA THR A 62 13.488 7.118 -27.387 1.00 31.03 H new ATOM 0 HB THR A 62 15.866 5.732 -26.097 1.00 50.31 H new ATOM 0 HG1 THR A 62 14.886 4.386 -27.619 1.00 0.51 H new ATOM 0 HG21 THR A 62 14.319 5.078 -24.280 1.00 61.23 H new ATOM 0 HG22 THR A 62 14.537 6.842 -24.362 1.00 61.23 H new ATOM 0 HG23 THR A 62 13.052 6.098 -25.002 1.00 61.23 H new ATOM 986 N TYR A 63 16.223 8.686 -26.368 1.00 63.52 N ATOM 987 CA TYR A 63 16.698 9.930 -25.746 1.00 72.45 C ATOM 988 C TYR A 63 16.136 11.162 -26.470 1.00 61.20 C ATOM 989 O TYR A 63 15.818 12.163 -25.840 1.00 3.33 O ATOM 990 CB TYR A 63 18.234 9.997 -25.734 1.00 62.44 C ATOM 991 CG TYR A 63 18.895 8.958 -24.847 1.00 0.23 C ATOM 992 CD1 TYR A 63 18.485 8.779 -23.531 1.00 4.14 C ATOM 993 CD2 TYR A 63 19.928 8.159 -25.324 1.00 3.10 C ATOM 994 CE1 TYR A 63 19.084 7.836 -22.718 1.00 74.22 C ATOM 995 CE2 TYR A 63 20.531 7.215 -24.519 1.00 41.02 C ATOM 996 CZ TYR A 63 20.106 7.057 -23.217 1.00 33.14 C ATOM 997 OH TYR A 63 20.706 6.119 -22.410 1.00 4.13 O ATOM 0 H TYR A 63 16.956 8.125 -26.802 1.00 63.52 H new ATOM 0 HA TYR A 63 16.339 9.931 -24.717 1.00 72.45 H new ATOM 0 HB2 TYR A 63 18.600 9.874 -26.753 1.00 62.44 H new ATOM 0 HB3 TYR A 63 18.541 10.989 -25.403 1.00 62.44 H new ATOM 0 HD1 TYR A 63 17.684 9.388 -23.137 1.00 4.14 H new ATOM 0 HD2 TYR A 63 20.264 8.280 -26.343 1.00 3.10 H new ATOM 0 HE1 TYR A 63 18.753 7.710 -21.698 1.00 74.22 H new ATOM 0 HE2 TYR A 63 21.332 6.603 -24.907 1.00 41.02 H new ATOM 0 HH TYR A 63 21.493 5.752 -22.864 1.00 4.13 H new ATOM 1007 N ALA A 64 16.020 11.076 -27.796 1.00 3.42 N ATOM 1008 CA ALA A 64 15.462 12.168 -28.605 1.00 32.13 C ATOM 1009 C ALA A 64 14.008 12.472 -28.207 1.00 34.21 C ATOM 1010 O ALA A 64 13.658 13.617 -27.912 1.00 64.23 O ATOM 1011 CB ALA A 64 15.550 11.821 -30.090 1.00 65.14 C ATOM 0 H ALA A 64 16.305 10.260 -28.337 1.00 3.42 H new ATOM 0 HA ALA A 64 16.052 13.065 -28.416 1.00 32.13 H new ATOM 0 HB1 ALA A 64 15.133 12.638 -30.680 1.00 65.14 H new ATOM 0 HB2 ALA A 64 16.593 11.669 -30.367 1.00 65.14 H new ATOM 0 HB3 ALA A 64 14.986 10.909 -30.284 1.00 65.14 H new ATOM 1017 N GLN A 65 13.171 11.434 -28.192 1.00 63.11 N ATOM 1018 CA GLN A 65 11.782 11.565 -27.734 1.00 0.11 C ATOM 1019 C GLN A 65 11.760 11.950 -26.243 1.00 10.13 C ATOM 1020 O GLN A 65 10.894 12.701 -25.783 1.00 20.41 O ATOM 1021 CB GLN A 65 11.022 10.244 -27.981 1.00 10.31 C ATOM 1022 CG GLN A 65 9.494 10.368 -27.960 1.00 2.34 C ATOM 1023 CD GLN A 65 8.880 10.414 -26.565 1.00 63.44 C ATOM 1024 OE1 GLN A 65 7.864 11.068 -26.344 1.00 61.30 O ATOM 1025 NE2 GLN A 65 9.449 9.688 -25.624 1.00 4.12 N ATOM 0 H GLN A 65 13.428 10.493 -28.491 1.00 63.11 H new ATOM 0 HA GLN A 65 11.283 12.354 -28.297 1.00 0.11 H new ATOM 0 HB2 GLN A 65 11.327 9.841 -28.947 1.00 10.31 H new ATOM 0 HB3 GLN A 65 11.324 9.520 -27.224 1.00 10.31 H new ATOM 0 HG2 GLN A 65 9.209 11.272 -28.498 1.00 2.34 H new ATOM 0 HG3 GLN A 65 9.067 9.525 -28.503 1.00 2.34 H new ATOM 0 HE21 GLN A 65 10.292 9.153 -25.832 1.00 4.12 H new ATOM 0 HE22 GLN A 65 9.046 9.661 -24.687 1.00 4.12 H new ATOM 1034 N GLY A 66 12.738 11.432 -25.498 1.00 44.32 N ATOM 1035 CA GLY A 66 12.905 11.804 -24.100 1.00 54.33 C ATOM 1036 C GLY A 66 13.219 13.288 -23.915 1.00 1.25 C ATOM 1037 O GLY A 66 12.757 13.908 -22.962 1.00 2.11 O ATOM 0 H GLY A 66 13.421 10.757 -25.841 1.00 44.32 H new ATOM 0 HA2 GLY A 66 11.995 11.559 -23.552 1.00 54.33 H new ATOM 0 HA3 GLY A 66 13.709 11.210 -23.664 1.00 54.33 H new ATOM 1041 N ILE A 67 14.010 13.857 -24.826 1.00 74.31 N ATOM 1042 CA ILE A 67 14.322 15.293 -24.809 1.00 63.22 C ATOM 1043 C ILE A 67 13.040 16.135 -24.852 1.00 25.21 C ATOM 1044 O ILE A 67 12.890 17.103 -24.100 1.00 21.24 O ATOM 1045 CB ILE A 67 15.239 15.682 -26.005 1.00 63.24 C ATOM 1046 CG1 ILE A 67 16.660 15.128 -25.794 1.00 74.22 C ATOM 1047 CG2 ILE A 67 15.270 17.200 -26.219 1.00 43.13 C ATOM 1048 CD1 ILE A 67 17.604 15.397 -26.949 1.00 61.12 C ATOM 0 H ILE A 67 14.450 13.345 -25.590 1.00 74.31 H new ATOM 0 HA ILE A 67 14.850 15.499 -23.878 1.00 63.22 H new ATOM 0 HB ILE A 67 14.822 15.234 -26.907 1.00 63.24 H new ATOM 0 HG12 ILE A 67 17.078 15.565 -24.887 1.00 74.22 H new ATOM 0 HG13 ILE A 67 16.599 14.052 -25.631 1.00 74.22 H new ATOM 0 HG21 ILE A 67 15.920 17.435 -27.062 1.00 43.13 H new ATOM 0 HG22 ILE A 67 14.262 17.559 -26.427 1.00 43.13 H new ATOM 0 HG23 ILE A 67 15.650 17.686 -25.321 1.00 43.13 H new ATOM 0 HD11 ILE A 67 18.584 14.976 -26.724 1.00 61.12 H new ATOM 0 HD12 ILE A 67 17.211 14.936 -27.855 1.00 61.12 H new ATOM 0 HD13 ILE A 67 17.697 16.472 -27.100 1.00 61.12 H new ATOM 1060 N GLU A 68 12.117 15.746 -25.728 1.00 13.14 N ATOM 1061 CA GLU A 68 10.838 16.442 -25.878 1.00 55.24 C ATOM 1062 C GLU A 68 10.075 16.500 -24.543 1.00 14.34 C ATOM 1063 O GLU A 68 9.708 17.577 -24.068 1.00 40.54 O ATOM 1064 CB GLU A 68 9.984 15.746 -26.952 1.00 14.12 C ATOM 1065 CG GLU A 68 10.714 15.557 -28.281 1.00 20.22 C ATOM 1066 CD GLU A 68 9.833 14.958 -29.369 1.00 50.30 C ATOM 1067 OE1 GLU A 68 9.628 13.725 -29.376 1.00 73.41 O ATOM 1068 OE2 GLU A 68 9.351 15.721 -30.234 1.00 13.41 O ATOM 0 H GLU A 68 12.231 14.946 -26.350 1.00 13.14 H new ATOM 0 HA GLU A 68 11.042 17.466 -26.191 1.00 55.24 H new ATOM 0 HB2 GLU A 68 9.667 14.772 -26.579 1.00 14.12 H new ATOM 0 HB3 GLU A 68 9.080 16.331 -27.123 1.00 14.12 H new ATOM 0 HG2 GLU A 68 11.094 16.521 -28.620 1.00 20.22 H new ATOM 0 HG3 GLU A 68 11.578 14.911 -28.125 1.00 20.22 H new ATOM 1075 N VAL A 69 9.863 15.336 -23.928 1.00 63.14 N ATOM 1076 CA VAL A 69 9.138 15.256 -22.651 1.00 32.40 C ATOM 1077 C VAL A 69 9.956 15.839 -21.479 1.00 2.24 C ATOM 1078 O VAL A 69 9.395 16.387 -20.530 1.00 61.22 O ATOM 1079 CB VAL A 69 8.732 13.793 -22.322 1.00 14.32 C ATOM 1080 CG1 VAL A 69 7.917 13.191 -23.464 1.00 31.11 C ATOM 1081 CG2 VAL A 69 9.956 12.931 -22.018 1.00 62.12 C ATOM 0 H VAL A 69 10.180 14.436 -24.289 1.00 63.14 H new ATOM 0 HA VAL A 69 8.238 15.858 -22.772 1.00 32.40 H new ATOM 0 HB VAL A 69 8.110 13.813 -21.427 1.00 14.32 H new ATOM 0 HG11 VAL A 69 7.642 12.166 -23.214 1.00 31.11 H new ATOM 0 HG12 VAL A 69 7.014 13.782 -23.617 1.00 31.11 H new ATOM 0 HG13 VAL A 69 8.512 13.195 -24.377 1.00 31.11 H new ATOM 0 HG21 VAL A 69 9.637 11.913 -21.792 1.00 62.12 H new ATOM 0 HG22 VAL A 69 10.618 12.920 -22.884 1.00 62.12 H new ATOM 0 HG23 VAL A 69 10.488 13.344 -21.161 1.00 62.12 H new ATOM 1091 N ALA A 70 11.280 15.731 -21.553 1.00 1.11 N ATOM 1092 CA ALA A 70 12.157 16.221 -20.480 1.00 2.13 C ATOM 1093 C ALA A 70 12.124 17.750 -20.363 1.00 20.52 C ATOM 1094 O ALA A 70 11.993 18.293 -19.268 1.00 63.23 O ATOM 1095 CB ALA A 70 13.589 15.743 -20.698 1.00 15.41 C ATOM 0 H ALA A 70 11.773 15.310 -22.341 1.00 1.11 H new ATOM 0 HA ALA A 70 11.780 15.809 -19.544 1.00 2.13 H new ATOM 0 HB1 ALA A 70 14.223 16.116 -19.894 1.00 15.41 H new ATOM 0 HB2 ALA A 70 13.612 14.653 -20.703 1.00 15.41 H new ATOM 0 HB3 ALA A 70 13.956 16.118 -21.653 1.00 15.41 H new ATOM 1101 N ARG A 71 12.235 18.438 -21.498 1.00 60.02 N ATOM 1102 CA ARG A 71 12.271 19.906 -21.511 1.00 22.32 C ATOM 1103 C ARG A 71 10.892 20.522 -21.207 1.00 21.12 C ATOM 1104 O ARG A 71 10.801 21.560 -20.547 1.00 11.00 O ATOM 1105 CB ARG A 71 12.796 20.414 -22.866 1.00 44.20 C ATOM 1106 CG ARG A 71 11.892 20.082 -24.053 1.00 71.22 C ATOM 1107 CD ARG A 71 12.521 20.492 -25.382 1.00 21.43 C ATOM 1108 NE ARG A 71 12.850 21.918 -25.423 1.00 23.23 N ATOM 1109 CZ ARG A 71 13.798 22.430 -26.169 1.00 60.34 C ATOM 1110 NH1 ARG A 71 14.520 21.673 -26.932 1.00 33.31 N ATOM 1111 NH2 ARG A 71 14.028 23.703 -26.150 1.00 32.25 N ATOM 0 H ARG A 71 12.302 18.007 -22.420 1.00 60.02 H new ATOM 0 HA ARG A 71 12.950 20.223 -20.720 1.00 22.32 H new ATOM 0 HB2 ARG A 71 12.923 21.495 -22.812 1.00 44.20 H new ATOM 0 HB3 ARG A 71 13.783 19.986 -23.044 1.00 44.20 H new ATOM 0 HG2 ARG A 71 11.686 19.012 -24.064 1.00 71.22 H new ATOM 0 HG3 ARG A 71 10.935 20.589 -23.933 1.00 71.22 H new ATOM 0 HD2 ARG A 71 13.426 19.907 -25.549 1.00 21.43 H new ATOM 0 HD3 ARG A 71 11.834 20.256 -26.195 1.00 21.43 H new ATOM 0 HE ARG A 71 12.308 22.552 -24.835 1.00 23.23 H new ATOM 0 HH11 ARG A 71 14.354 20.667 -26.957 1.00 33.31 H new ATOM 0 HH12 ARG A 71 15.255 22.083 -27.508 1.00 33.31 H new ATOM 0 HH21 ARG A 71 13.470 24.313 -25.552 1.00 32.25 H new ATOM 0 HH22 ARG A 71 14.767 24.096 -26.733 1.00 32.25 H new ATOM 1125 N GLU A 72 9.823 19.886 -21.693 1.00 12.13 N ATOM 1126 CA GLU A 72 8.459 20.405 -21.506 1.00 11.05 C ATOM 1127 C GLU A 72 7.816 19.917 -20.191 1.00 54.44 C ATOM 1128 O GLU A 72 7.330 20.719 -19.393 1.00 4.23 O ATOM 1129 CB GLU A 72 7.573 20.001 -22.698 1.00 63.21 C ATOM 1130 CG GLU A 72 8.095 20.476 -24.054 1.00 11.20 C ATOM 1131 CD GLU A 72 8.251 21.989 -24.138 1.00 40.22 C ATOM 1132 OE1 GLU A 72 7.222 22.693 -24.219 1.00 61.53 O ATOM 1133 OE2 GLU A 72 9.401 22.482 -24.125 1.00 54.54 O ATOM 0 H GLU A 72 9.872 19.013 -22.218 1.00 12.13 H new ATOM 0 HA GLU A 72 8.535 21.491 -21.449 1.00 11.05 H new ATOM 0 HB2 GLU A 72 7.481 18.915 -22.717 1.00 63.21 H new ATOM 0 HB3 GLU A 72 6.572 20.403 -22.545 1.00 63.21 H new ATOM 0 HG2 GLU A 72 9.059 20.006 -24.250 1.00 11.20 H new ATOM 0 HG3 GLU A 72 7.413 20.143 -24.836 1.00 11.20 H new ATOM 1140 N GLU A 73 7.829 18.603 -19.967 1.00 10.52 N ATOM 1141 CA GLU A 73 7.136 17.996 -18.818 1.00 65.20 C ATOM 1142 C GLU A 73 8.016 17.945 -17.558 1.00 23.02 C ATOM 1143 O GLU A 73 7.540 18.190 -16.446 1.00 65.03 O ATOM 1144 CB GLU A 73 6.679 16.573 -19.183 1.00 55.41 C ATOM 1145 CG GLU A 73 5.710 16.515 -20.364 1.00 32.44 C ATOM 1146 CD GLU A 73 4.296 16.947 -19.999 1.00 3.40 C ATOM 1147 OE1 GLU A 73 4.085 18.138 -19.685 1.00 72.51 O ATOM 1148 OE2 GLU A 73 3.385 16.091 -20.012 1.00 0.31 O ATOM 0 H GLU A 73 8.312 17.932 -20.565 1.00 10.52 H new ATOM 0 HA GLU A 73 6.276 18.626 -18.590 1.00 65.20 H new ATOM 0 HB2 GLU A 73 7.556 15.969 -19.416 1.00 55.41 H new ATOM 0 HB3 GLU A 73 6.203 16.121 -18.313 1.00 55.41 H new ATOM 0 HG2 GLU A 73 6.083 17.154 -21.164 1.00 32.44 H new ATOM 0 HG3 GLU A 73 5.683 15.498 -20.755 1.00 32.44 H new ATOM 1155 N GLY A 74 9.293 17.617 -17.732 1.00 11.43 N ATOM 1156 CA GLY A 74 10.190 17.452 -16.589 1.00 4.42 C ATOM 1157 C GLY A 74 10.995 18.706 -16.253 1.00 32.13 C ATOM 1158 O GLY A 74 10.462 19.669 -15.696 1.00 22.33 O ATOM 0 H GLY A 74 9.728 17.461 -18.642 1.00 11.43 H new ATOM 0 HA2 GLY A 74 9.603 17.163 -15.717 1.00 4.42 H new ATOM 0 HA3 GLY A 74 10.879 16.633 -16.795 1.00 4.42 H new ATOM 1162 N THR A 75 12.284 18.689 -16.591 1.00 11.12 N ATOM 1163 CA THR A 75 13.199 19.802 -16.288 1.00 23.34 C ATOM 1164 C THR A 75 14.492 19.706 -17.107 1.00 73.24 C ATOM 1165 O THR A 75 14.860 18.631 -17.591 1.00 23.40 O ATOM 1166 CB THR A 75 13.570 19.853 -14.784 1.00 73.14 C ATOM 1167 OG1 THR A 75 14.598 20.831 -14.558 1.00 13.42 O ATOM 1168 CG2 THR A 75 14.044 18.494 -14.286 1.00 24.42 C ATOM 0 H THR A 75 12.727 17.911 -17.080 1.00 11.12 H new ATOM 0 HA THR A 75 12.664 20.713 -16.555 1.00 23.34 H new ATOM 0 HB THR A 75 12.673 20.131 -14.230 1.00 73.14 H new ATOM 0 HG1 THR A 75 14.823 20.855 -13.604 1.00 13.42 H new ATOM 0 HG21 THR A 75 14.297 18.562 -13.228 1.00 24.42 H new ATOM 0 HG22 THR A 75 13.251 17.759 -14.423 1.00 24.42 H new ATOM 0 HG23 THR A 75 14.924 18.187 -14.850 1.00 24.42 H new ATOM 1176 N GLN A 76 15.194 20.829 -17.246 1.00 13.32 N ATOM 1177 CA GLN A 76 16.427 20.879 -18.034 1.00 4.13 C ATOM 1178 C GLN A 76 17.558 20.069 -17.373 1.00 43.43 C ATOM 1179 O GLN A 76 18.458 19.575 -18.054 1.00 41.11 O ATOM 1180 CB GLN A 76 16.875 22.332 -18.238 1.00 22.23 C ATOM 1181 CG GLN A 76 18.057 22.475 -19.191 1.00 0.31 C ATOM 1182 CD GLN A 76 18.558 23.903 -19.305 1.00 63.44 C ATOM 1183 OE1 GLN A 76 19.439 24.327 -18.563 1.00 55.13 O ATOM 1184 NE2 GLN A 76 18.000 24.658 -20.228 1.00 23.20 N ATOM 0 H GLN A 76 14.930 21.719 -16.823 1.00 13.32 H new ATOM 0 HA GLN A 76 16.213 20.429 -19.004 1.00 4.13 H new ATOM 0 HB2 GLN A 76 16.036 22.912 -18.622 1.00 22.23 H new ATOM 0 HB3 GLN A 76 17.143 22.760 -17.272 1.00 22.23 H new ATOM 0 HG2 GLN A 76 18.871 21.836 -18.849 1.00 0.31 H new ATOM 0 HG3 GLN A 76 17.765 22.118 -20.179 1.00 0.31 H new ATOM 0 HE21 GLN A 76 17.270 24.274 -20.828 1.00 23.20 H new ATOM 0 HE22 GLN A 76 18.298 25.627 -20.343 1.00 23.20 H new ATOM 1193 N LYS A 77 17.502 19.923 -16.049 1.00 0.52 N ATOM 1194 CA LYS A 77 18.534 19.180 -15.311 1.00 22.41 C ATOM 1195 C LYS A 77 18.583 17.705 -15.748 1.00 33.14 C ATOM 1196 O LYS A 77 19.653 17.168 -16.047 1.00 72.34 O ATOM 1197 CB LYS A 77 18.287 19.274 -13.800 1.00 4.45 C ATOM 1198 CG LYS A 77 19.375 18.606 -12.960 1.00 1.42 C ATOM 1199 CD LYS A 77 19.118 18.774 -11.465 1.00 43.12 C ATOM 1200 CE LYS A 77 20.197 18.101 -10.624 1.00 52.44 C ATOM 1201 NZ LYS A 77 19.945 18.259 -9.167 1.00 24.15 N ATOM 0 H LYS A 77 16.759 20.306 -15.465 1.00 0.52 H new ATOM 0 HA LYS A 77 19.498 19.634 -15.542 1.00 22.41 H new ATOM 0 HB2 LYS A 77 18.214 20.324 -13.517 1.00 4.45 H new ATOM 0 HB3 LYS A 77 17.327 18.814 -13.568 1.00 4.45 H new ATOM 0 HG2 LYS A 77 19.423 17.545 -13.204 1.00 1.42 H new ATOM 0 HG3 LYS A 77 20.345 19.035 -13.213 1.00 1.42 H new ATOM 0 HD2 LYS A 77 19.077 19.835 -11.221 1.00 43.12 H new ATOM 0 HD3 LYS A 77 18.145 18.351 -11.214 1.00 43.12 H new ATOM 0 HE2 LYS A 77 20.241 17.040 -10.872 1.00 52.44 H new ATOM 0 HE3 LYS A 77 21.169 18.527 -10.872 1.00 52.44 H new ATOM 0 HZ1 LYS A 77 20.701 17.787 -8.631 1.00 24.15 H new ATOM 0 HZ2 LYS A 77 19.928 19.270 -8.925 1.00 24.15 H new ATOM 0 HZ3 LYS A 77 19.029 17.830 -8.925 1.00 24.15 H new ATOM 1215 N ASP A 78 17.420 17.056 -15.780 1.00 5.31 N ATOM 1216 CA ASP A 78 17.314 15.680 -16.277 1.00 43.12 C ATOM 1217 C ASP A 78 17.492 15.628 -17.805 1.00 53.32 C ATOM 1218 O ASP A 78 17.996 14.642 -18.349 1.00 32.41 O ATOM 1219 CB ASP A 78 15.970 15.069 -15.864 1.00 41.53 C ATOM 1220 CG ASP A 78 15.870 14.878 -14.359 1.00 61.33 C ATOM 1221 OD1 ASP A 78 15.635 15.870 -13.639 1.00 64.32 O ATOM 1222 OD2 ASP A 78 16.043 13.735 -13.885 1.00 53.33 O ATOM 0 H ASP A 78 16.536 17.459 -15.468 1.00 5.31 H new ATOM 0 HA ASP A 78 18.115 15.092 -15.830 1.00 43.12 H new ATOM 0 HB2 ASP A 78 15.159 15.714 -16.202 1.00 41.53 H new ATOM 0 HB3 ASP A 78 15.841 14.108 -16.361 1.00 41.53 H new ATOM 1227 N LEU A 79 17.083 16.697 -18.488 1.00 33.43 N ATOM 1228 CA LEU A 79 17.322 16.835 -19.930 1.00 50.53 C ATOM 1229 C LEU A 79 18.822 16.723 -20.255 1.00 15.40 C ATOM 1230 O LEU A 79 19.215 16.041 -21.205 1.00 32.21 O ATOM 1231 CB LEU A 79 16.772 18.180 -20.431 1.00 33.51 C ATOM 1232 CG LEU A 79 17.073 18.517 -21.901 1.00 2.42 C ATOM 1233 CD1 LEU A 79 16.478 17.468 -22.830 1.00 31.31 C ATOM 1234 CD2 LEU A 79 16.561 19.914 -22.254 1.00 74.53 C ATOM 0 H LEU A 79 16.584 17.482 -18.069 1.00 33.43 H new ATOM 0 HA LEU A 79 16.802 16.024 -20.440 1.00 50.53 H new ATOM 0 HB2 LEU A 79 15.691 18.185 -20.290 1.00 33.51 H new ATOM 0 HB3 LEU A 79 17.179 18.974 -19.805 1.00 33.51 H new ATOM 0 HG LEU A 79 18.155 18.511 -22.036 1.00 2.42 H new ATOM 0 HD11 LEU A 79 16.704 17.728 -23.864 1.00 31.31 H new ATOM 0 HD12 LEU A 79 16.906 16.493 -22.599 1.00 31.31 H new ATOM 0 HD13 LEU A 79 15.397 17.431 -22.693 1.00 31.31 H new ATOM 0 HD21 LEU A 79 16.785 20.130 -23.299 1.00 74.53 H new ATOM 0 HD22 LEU A 79 15.483 19.957 -22.098 1.00 74.53 H new ATOM 0 HD23 LEU A 79 17.049 20.652 -21.618 1.00 74.53 H new ATOM 1246 N SER A 80 19.653 17.394 -19.454 1.00 14.12 N ATOM 1247 CA SER A 80 21.114 17.332 -19.611 1.00 74.03 C ATOM 1248 C SER A 80 21.618 15.883 -19.566 1.00 24.34 C ATOM 1249 O SER A 80 22.504 15.503 -20.328 1.00 43.11 O ATOM 1250 CB SER A 80 21.811 18.160 -18.519 1.00 64.43 C ATOM 1251 OG SER A 80 21.423 19.525 -18.582 1.00 30.54 O ATOM 0 H SER A 80 19.341 17.989 -18.687 1.00 14.12 H new ATOM 0 HA SER A 80 21.358 17.751 -20.587 1.00 74.03 H new ATOM 0 HB2 SER A 80 21.564 17.754 -17.538 1.00 64.43 H new ATOM 0 HB3 SER A 80 22.892 18.081 -18.634 1.00 64.43 H new ATOM 0 HG SER A 80 20.463 19.601 -18.402 1.00 30.54 H new ATOM 1257 N GLU A 81 21.031 15.076 -18.678 1.00 12.12 N ATOM 1258 CA GLU A 81 21.366 13.647 -18.579 1.00 62.24 C ATOM 1259 C GLU A 81 21.114 12.926 -19.913 1.00 1.34 C ATOM 1260 O GLU A 81 21.947 12.154 -20.388 1.00 50.14 O ATOM 1261 CB GLU A 81 20.532 12.979 -17.474 1.00 44.14 C ATOM 1262 CG GLU A 81 20.749 13.563 -16.084 1.00 72.14 C ATOM 1263 CD GLU A 81 22.173 13.379 -15.590 1.00 11.01 C ATOM 1264 OE1 GLU A 81 22.578 12.219 -15.357 1.00 40.15 O ATOM 1265 OE2 GLU A 81 22.887 14.391 -15.418 1.00 22.05 O ATOM 0 H GLU A 81 20.320 15.385 -18.015 1.00 12.12 H new ATOM 0 HA GLU A 81 22.425 13.570 -18.334 1.00 62.24 H new ATOM 0 HB2 GLU A 81 19.476 13.065 -17.730 1.00 44.14 H new ATOM 0 HB3 GLU A 81 20.769 11.915 -17.449 1.00 44.14 H new ATOM 0 HG2 GLU A 81 20.508 14.626 -16.099 1.00 72.14 H new ATOM 0 HG3 GLU A 81 20.061 13.090 -15.383 1.00 72.14 H new ATOM 1272 N LEU A 82 19.956 13.192 -20.512 1.00 71.02 N ATOM 1273 CA LEU A 82 19.583 12.582 -21.793 1.00 71.21 C ATOM 1274 C LEU A 82 20.514 13.043 -22.927 1.00 44.31 C ATOM 1275 O LEU A 82 20.980 12.234 -23.734 1.00 62.35 O ATOM 1276 CB LEU A 82 18.129 12.930 -22.138 1.00 25.41 C ATOM 1277 CG LEU A 82 17.087 12.498 -21.094 1.00 73.10 C ATOM 1278 CD1 LEU A 82 15.687 12.929 -21.517 1.00 33.21 C ATOM 1279 CD2 LEU A 82 17.141 10.989 -20.873 1.00 71.32 C ATOM 0 H LEU A 82 19.255 13.828 -20.132 1.00 71.02 H new ATOM 0 HA LEU A 82 19.684 11.501 -21.691 1.00 71.21 H new ATOM 0 HB2 LEU A 82 18.054 14.008 -22.278 1.00 25.41 H new ATOM 0 HB3 LEU A 82 17.878 12.466 -23.092 1.00 25.41 H new ATOM 0 HG LEU A 82 17.325 12.991 -20.152 1.00 73.10 H new ATOM 0 HD11 LEU A 82 14.966 12.613 -20.763 1.00 33.21 H new ATOM 0 HD12 LEU A 82 15.655 14.014 -21.617 1.00 33.21 H new ATOM 0 HD13 LEU A 82 15.438 12.469 -22.473 1.00 33.21 H new ATOM 0 HD21 LEU A 82 16.396 10.703 -20.131 1.00 71.32 H new ATOM 0 HD22 LEU A 82 16.933 10.476 -21.812 1.00 71.32 H new ATOM 0 HD23 LEU A 82 18.133 10.708 -20.518 1.00 71.32 H new ATOM 1291 N GLN A 83 20.780 14.349 -22.980 1.00 30.15 N ATOM 1292 CA GLN A 83 21.673 14.917 -23.999 1.00 65.44 C ATOM 1293 C GLN A 83 23.119 14.420 -23.819 1.00 50.55 C ATOM 1294 O GLN A 83 23.858 14.255 -24.794 1.00 55.13 O ATOM 1295 CB GLN A 83 21.617 16.453 -23.964 1.00 34.34 C ATOM 1296 CG GLN A 83 20.238 17.019 -24.304 1.00 2.24 C ATOM 1297 CD GLN A 83 20.204 18.540 -24.384 1.00 30.23 C ATOM 1298 OE1 GLN A 83 19.435 19.115 -25.150 1.00 54.31 O ATOM 1299 NE2 GLN A 83 21.017 19.206 -23.586 1.00 22.15 N ATOM 0 H GLN A 83 20.392 15.035 -22.332 1.00 30.15 H new ATOM 0 HA GLN A 83 21.327 14.578 -24.975 1.00 65.44 H new ATOM 0 HB2 GLN A 83 21.908 16.797 -22.972 1.00 34.34 H new ATOM 0 HB3 GLN A 83 22.348 16.852 -24.667 1.00 34.34 H new ATOM 0 HG2 GLN A 83 19.911 16.606 -25.258 1.00 2.24 H new ATOM 0 HG3 GLN A 83 19.523 16.687 -23.551 1.00 2.24 H new ATOM 0 HE21 GLN A 83 21.645 18.701 -22.960 1.00 22.15 H new ATOM 0 HE22 GLN A 83 21.018 20.226 -23.595 1.00 22.15 H new ATOM 1308 N ASP A 84 23.513 14.182 -22.573 1.00 4.11 N ATOM 1309 CA ASP A 84 24.813 13.575 -22.269 1.00 52.41 C ATOM 1310 C ASP A 84 24.855 12.116 -22.745 1.00 65.01 C ATOM 1311 O ASP A 84 25.784 11.698 -23.444 1.00 52.32 O ATOM 1312 CB ASP A 84 25.074 13.642 -20.758 1.00 31.24 C ATOM 1313 CG ASP A 84 26.366 12.951 -20.352 1.00 24.41 C ATOM 1314 OD1 ASP A 84 27.427 13.612 -20.360 1.00 2.44 O ATOM 1315 OD2 ASP A 84 26.325 11.744 -20.026 1.00 51.23 O ATOM 0 H ASP A 84 22.951 14.400 -21.750 1.00 4.11 H new ATOM 0 HA ASP A 84 25.589 14.130 -22.795 1.00 52.41 H new ATOM 0 HB2 ASP A 84 25.112 14.686 -20.446 1.00 31.24 H new ATOM 0 HB3 ASP A 84 24.239 13.182 -20.229 1.00 31.24 H new ATOM 1320 N ALA A 85 23.831 11.355 -22.370 1.00 42.40 N ATOM 1321 CA ALA A 85 23.745 9.932 -22.699 1.00 22.33 C ATOM 1322 C ALA A 85 23.848 9.674 -24.210 1.00 64.44 C ATOM 1323 O ALA A 85 24.662 8.861 -24.652 1.00 2.12 O ATOM 1324 CB ALA A 85 22.450 9.353 -22.143 1.00 4.44 C ATOM 0 H ALA A 85 23.039 11.704 -21.831 1.00 42.40 H new ATOM 0 HA ALA A 85 24.596 9.433 -22.236 1.00 22.33 H new ATOM 0 HB1 ALA A 85 22.390 8.293 -22.390 1.00 4.44 H new ATOM 0 HB2 ALA A 85 22.433 9.475 -21.060 1.00 4.44 H new ATOM 0 HB3 ALA A 85 21.600 9.876 -22.581 1.00 4.44 H new ATOM 1330 N LYS A 86 23.038 10.379 -25.002 1.00 25.52 N ATOM 1331 CA LYS A 86 23.074 10.222 -26.464 1.00 62.34 C ATOM 1332 C LYS A 86 24.429 10.667 -27.038 1.00 51.13 C ATOM 1333 O LYS A 86 24.922 10.091 -28.009 1.00 65.11 O ATOM 1334 CB LYS A 86 21.928 11.005 -27.131 1.00 31.23 C ATOM 1335 CG LYS A 86 21.994 12.517 -26.922 1.00 35.51 C ATOM 1336 CD LYS A 86 20.765 13.229 -27.490 1.00 50.23 C ATOM 1337 CE LYS A 86 20.662 13.088 -29.008 1.00 73.44 C ATOM 1338 NZ LYS A 86 21.779 13.769 -29.719 1.00 30.11 N ATOM 0 H LYS A 86 22.355 11.058 -24.665 1.00 25.52 H new ATOM 0 HA LYS A 86 22.942 9.163 -26.684 1.00 62.34 H new ATOM 0 HB2 LYS A 86 21.936 10.797 -28.201 1.00 31.23 H new ATOM 0 HB3 LYS A 86 20.978 10.637 -26.742 1.00 31.23 H new ATOM 0 HG2 LYS A 86 22.077 12.732 -25.857 1.00 35.51 H new ATOM 0 HG3 LYS A 86 22.893 12.910 -27.398 1.00 35.51 H new ATOM 0 HD2 LYS A 86 19.866 12.821 -27.028 1.00 50.23 H new ATOM 0 HD3 LYS A 86 20.807 14.286 -27.228 1.00 50.23 H new ATOM 0 HE2 LYS A 86 20.658 12.031 -29.272 1.00 73.44 H new ATOM 0 HE3 LYS A 86 19.713 13.505 -29.345 1.00 73.44 H new ATOM 0 HZ1 LYS A 86 21.594 13.762 -30.742 1.00 30.11 H new ATOM 0 HZ2 LYS A 86 21.854 14.752 -29.387 1.00 30.11 H new ATOM 0 HZ3 LYS A 86 22.670 13.269 -29.525 1.00 30.11 H new ATOM 1352 N LEU A 87 25.033 11.678 -26.415 1.00 63.22 N ATOM 1353 CA LEU A 87 26.339 12.190 -26.842 1.00 51.31 C ATOM 1354 C LEU A 87 27.431 11.108 -26.739 1.00 2.32 C ATOM 1355 O LEU A 87 28.086 10.773 -27.730 1.00 71.32 O ATOM 1356 CB LEU A 87 26.724 13.409 -25.995 1.00 24.22 C ATOM 1357 CG LEU A 87 28.059 14.078 -26.364 1.00 33.05 C ATOM 1358 CD1 LEU A 87 28.015 14.637 -27.784 1.00 64.23 C ATOM 1359 CD2 LEU A 87 28.404 15.176 -25.363 1.00 25.03 C ATOM 0 H LEU A 87 24.638 12.162 -25.609 1.00 63.22 H new ATOM 0 HA LEU A 87 26.260 12.485 -27.888 1.00 51.31 H new ATOM 0 HB2 LEU A 87 25.931 14.152 -26.077 1.00 24.22 H new ATOM 0 HB3 LEU A 87 26.768 13.104 -24.950 1.00 24.22 H new ATOM 0 HG LEU A 87 28.841 13.319 -26.324 1.00 33.05 H new ATOM 0 HD11 LEU A 87 28.971 15.105 -28.021 1.00 64.23 H new ATOM 0 HD12 LEU A 87 27.823 13.827 -28.488 1.00 64.23 H new ATOM 0 HD13 LEU A 87 27.220 15.379 -27.859 1.00 64.23 H new ATOM 0 HD21 LEU A 87 29.352 15.637 -25.641 1.00 25.03 H new ATOM 0 HD22 LEU A 87 27.618 15.931 -25.366 1.00 25.03 H new ATOM 0 HD23 LEU A 87 28.489 14.745 -24.365 1.00 25.03 H new ATOM 1371 N LYS A 88 27.624 10.560 -25.540 1.00 15.10 N ATOM 1372 CA LYS A 88 28.638 9.518 -25.334 1.00 50.24 C ATOM 1373 C LYS A 88 28.254 8.206 -26.040 1.00 1.13 C ATOM 1374 O LYS A 88 29.124 7.413 -26.404 1.00 61.42 O ATOM 1375 CB LYS A 88 28.901 9.305 -23.830 1.00 54.31 C ATOM 1376 CG LYS A 88 27.662 8.989 -22.989 1.00 31.14 C ATOM 1377 CD LYS A 88 27.310 7.500 -22.988 1.00 72.22 C ATOM 1378 CE LYS A 88 26.083 7.219 -22.128 1.00 11.44 C ATOM 1379 NZ LYS A 88 26.257 7.708 -20.732 1.00 54.42 N ATOM 0 H LYS A 88 27.100 10.814 -24.703 1.00 15.10 H new ATOM 0 HA LYS A 88 29.568 9.858 -25.789 1.00 50.24 H new ATOM 0 HB2 LYS A 88 29.616 8.490 -23.715 1.00 54.31 H new ATOM 0 HB3 LYS A 88 29.373 10.202 -23.430 1.00 54.31 H new ATOM 0 HG2 LYS A 88 27.831 9.318 -21.964 1.00 31.14 H new ATOM 0 HG3 LYS A 88 26.814 9.558 -23.371 1.00 31.14 H new ATOM 0 HD2 LYS A 88 27.124 7.168 -24.009 1.00 72.22 H new ATOM 0 HD3 LYS A 88 28.157 6.925 -22.615 1.00 72.22 H new ATOM 0 HE2 LYS A 88 25.211 7.697 -22.574 1.00 11.44 H new ATOM 0 HE3 LYS A 88 25.887 6.147 -22.115 1.00 11.44 H new ATOM 0 HZ1 LYS A 88 25.407 7.482 -20.177 1.00 54.42 H new ATOM 0 HZ2 LYS A 88 27.084 7.246 -20.303 1.00 54.42 H new ATOM 0 HZ3 LYS A 88 26.401 8.738 -20.740 1.00 54.42 H new ATOM 1393 N ALA A 89 26.954 7.991 -26.252 1.00 55.15 N ATOM 1394 CA ALA A 89 26.477 6.832 -27.017 1.00 52.20 C ATOM 1395 C ALA A 89 27.014 6.855 -28.458 1.00 60.21 C ATOM 1396 O ALA A 89 27.429 5.828 -28.995 1.00 4.52 O ATOM 1397 CB ALA A 89 24.951 6.786 -27.015 1.00 14.13 C ATOM 0 H ALA A 89 26.213 8.601 -25.907 1.00 55.15 H new ATOM 0 HA ALA A 89 26.856 5.931 -26.534 1.00 52.20 H new ATOM 0 HB1 ALA A 89 24.612 5.922 -27.586 1.00 14.13 H new ATOM 0 HB2 ALA A 89 24.591 6.707 -25.989 1.00 14.13 H new ATOM 0 HB3 ALA A 89 24.559 7.696 -27.468 1.00 14.13 H new ATOM 1403 N GLU A 90 27.013 8.038 -29.079 1.00 10.34 N ATOM 1404 CA GLU A 90 27.571 8.197 -30.429 1.00 34.13 C ATOM 1405 C GLU A 90 29.108 8.153 -30.405 1.00 21.43 C ATOM 1406 O GLU A 90 29.752 7.946 -31.435 1.00 33.23 O ATOM 1407 CB GLU A 90 27.089 9.507 -31.068 1.00 73.10 C ATOM 1408 CG GLU A 90 25.570 9.631 -31.127 1.00 12.25 C ATOM 1409 CD GLU A 90 25.095 10.763 -32.024 1.00 52.24 C ATOM 1410 OE1 GLU A 90 25.308 11.940 -31.675 1.00 72.30 O ATOM 1411 OE2 GLU A 90 24.510 10.476 -33.089 1.00 62.22 O ATOM 0 H GLU A 90 26.636 8.895 -28.674 1.00 10.34 H new ATOM 0 HA GLU A 90 27.215 7.362 -31.033 1.00 34.13 H new ATOM 0 HB2 GLU A 90 27.493 10.348 -30.504 1.00 73.10 H new ATOM 0 HB3 GLU A 90 27.491 9.579 -32.079 1.00 73.10 H new ATOM 0 HG2 GLU A 90 25.149 8.691 -31.485 1.00 12.25 H new ATOM 0 HG3 GLU A 90 25.186 9.789 -30.119 1.00 12.25 H new ATOM 1418 N GLY A 91 29.689 8.350 -29.223 1.00 24.44 N ATOM 1419 CA GLY A 91 31.138 8.253 -29.065 1.00 23.15 C ATOM 1420 C GLY A 91 31.637 6.809 -29.011 1.00 11.32 C ATOM 1421 O GLY A 91 32.838 6.553 -29.120 1.00 14.10 O ATOM 0 H GLY A 91 29.183 8.576 -28.367 1.00 24.44 H new ATOM 0 HA2 GLY A 91 31.624 8.769 -29.893 1.00 23.15 H new ATOM 0 HA3 GLY A 91 31.434 8.768 -28.151 1.00 23.15 H new ATOM 1425 N LEU A 92 30.712 5.861 -28.842 1.00 64.31 N ATOM 1426 CA LEU A 92 31.058 4.434 -28.805 1.00 1.13 C ATOM 1427 C LEU A 92 31.617 3.956 -30.157 1.00 33.31 C ATOM 1428 O LEU A 92 32.568 3.176 -30.204 1.00 75.23 O ATOM 1429 CB LEU A 92 29.828 3.594 -28.418 1.00 63.25 C ATOM 1430 CG LEU A 92 29.238 3.889 -27.027 1.00 52.54 C ATOM 1431 CD1 LEU A 92 28.002 3.030 -26.769 1.00 0.52 C ATOM 1432 CD2 LEU A 92 30.285 3.671 -25.935 1.00 44.53 C ATOM 0 H LEU A 92 29.717 6.054 -28.728 1.00 64.31 H new ATOM 0 HA LEU A 92 31.834 4.301 -28.051 1.00 1.13 H new ATOM 0 HB2 LEU A 92 29.050 3.754 -29.165 1.00 63.25 H new ATOM 0 HB3 LEU A 92 30.101 2.540 -28.462 1.00 63.25 H new ATOM 0 HG LEU A 92 28.936 4.936 -27.003 1.00 52.54 H new ATOM 0 HD11 LEU A 92 27.602 3.255 -25.780 1.00 0.52 H new ATOM 0 HD12 LEU A 92 27.246 3.245 -27.524 1.00 0.52 H new ATOM 0 HD13 LEU A 92 28.275 1.976 -26.818 1.00 0.52 H new ATOM 0 HD21 LEU A 92 29.845 3.886 -24.961 1.00 44.53 H new ATOM 0 HD22 LEU A 92 30.626 2.636 -25.959 1.00 44.53 H new ATOM 0 HD23 LEU A 92 31.132 4.336 -26.105 1.00 44.53 H new