USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 617 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 SER OG : rot 37:sc= 0.23 USER MOD Set 1.2: A 82 HIS : no HE2:sc= -0.245 K(o=-0.045,f=-1.9) USER MOD Set 1.3: A 84 THR OG1 : rot -93:sc= -0.0304 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= 0.941 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -145:sc= 2.16 (180deg=-0.328) USER MOD Set 3.1: A 39 LYS NZ :NH3+ 157:sc= 0.721 (180deg=0.403) USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 25 MET CE :methyl -177:sc= -0.278 (180deg=-0.298) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.02 (180deg=0.415) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= 0.839 (180deg=0.338) USER MOD Single : A 35 SER OG : rot 68:sc= 0.128 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -110:sc= -0.438 USER MOD Single : A 49 MET CE :methyl -168:sc= -0.152 (180deg=-0.338) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -157:sc= 0.191 USER MOD Single : A 74 SER OG : rot -69:sc= 1.28 USER MOD Single : A 76 GLN : amide:sc= 0.576 K(o=0.58,f=-5.1!) USER MOD Single : A 77 THR OG1 : rot -42:sc= 0.372 USER MOD Single : A 79 ASN : amide:sc= -0.554 K(o=-0.55,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.00143) USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0.0717) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0.487 (180deg=0.486) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 95 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.066) USER MOD Single : A 96 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=-0.0026) USER MOD Single : A 97 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.58) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 0.595 3.111 7.718 1.00 62.10 N ATOM 2 CA ALA A 22 0.334 2.430 6.436 1.00 70.02 C ATOM 3 C ALA A 22 -1.001 1.658 6.510 1.00 25.12 C ATOM 4 O ALA A 22 -1.127 0.711 7.277 1.00 44.33 O ATOM 5 CB ALA A 22 1.503 1.512 6.079 1.00 31.43 C ATOM 0 HA ALA A 22 0.245 3.172 5.642 1.00 70.02 H new ATOM 0 HB1 ALA A 22 1.299 1.015 5.131 1.00 31.43 H new ATOM 0 HB2 ALA A 22 2.415 2.102 5.990 1.00 31.43 H new ATOM 0 HB3 ALA A 22 1.630 0.764 6.861 1.00 31.43 H new ATOM 13 N GLU A 23 -2.001 2.082 5.714 1.00 61.23 N ATOM 14 CA GLU A 23 -3.362 1.490 5.722 1.00 33.11 C ATOM 15 C GLU A 23 -3.667 0.800 4.378 1.00 4.24 C ATOM 16 O GLU A 23 -3.376 1.350 3.313 1.00 4.25 O ATOM 17 CB GLU A 23 -4.423 2.589 6.020 1.00 31.14 C ATOM 18 CG GLU A 23 -4.382 3.801 5.062 1.00 2.31 C ATOM 19 CD GLU A 23 -5.497 4.820 5.330 1.00 5.24 C ATOM 20 OE1 GLU A 23 -5.355 5.652 6.257 1.00 1.12 O ATOM 21 OE2 GLU A 23 -6.537 4.776 4.635 1.00 42.40 O ATOM 0 H GLU A 23 -1.893 2.845 5.045 1.00 61.23 H new ATOM 0 HA GLU A 23 -3.405 0.736 6.508 1.00 33.11 H new ATOM 0 HB2 GLU A 23 -5.415 2.140 5.974 1.00 31.14 H new ATOM 0 HB3 GLU A 23 -4.282 2.945 7.041 1.00 31.14 H new ATOM 0 HG2 GLU A 23 -3.416 4.297 5.154 1.00 2.31 H new ATOM 0 HG3 GLU A 23 -4.462 3.447 4.034 1.00 2.31 H new ATOM 28 N ILE A 24 -4.269 -0.398 4.437 1.00 55.33 N ATOM 29 CA ILE A 24 -4.640 -1.174 3.241 1.00 23.25 C ATOM 30 C ILE A 24 -5.854 -0.524 2.552 1.00 12.23 C ATOM 31 O ILE A 24 -6.899 -0.319 3.184 1.00 13.13 O ATOM 32 CB ILE A 24 -4.970 -2.672 3.617 1.00 72.32 C ATOM 33 CG1 ILE A 24 -3.724 -3.382 4.224 1.00 61.13 C ATOM 34 CG2 ILE A 24 -5.524 -3.469 2.408 1.00 55.21 C ATOM 35 CD1 ILE A 24 -2.552 -3.566 3.270 1.00 2.14 C ATOM 0 H ILE A 24 -4.513 -0.857 5.315 1.00 55.33 H new ATOM 0 HA ILE A 24 -3.792 -1.174 2.556 1.00 23.25 H new ATOM 0 HB ILE A 24 -5.755 -2.646 4.373 1.00 72.32 H new ATOM 0 HG12 ILE A 24 -3.383 -2.808 5.086 1.00 61.13 H new ATOM 0 HG13 ILE A 24 -4.028 -4.361 4.593 1.00 61.13 H new ATOM 0 HG21 ILE A 24 -5.736 -4.493 2.714 1.00 55.21 H new ATOM 0 HG22 ILE A 24 -6.441 -2.999 2.052 1.00 55.21 H new ATOM 0 HG23 ILE A 24 -4.785 -3.476 1.607 1.00 55.21 H new ATOM 0 HD11 ILE A 24 -1.736 -4.069 3.789 1.00 2.14 H new ATOM 0 HD12 ILE A 24 -2.867 -4.169 2.418 1.00 2.14 H new ATOM 0 HD13 ILE A 24 -2.212 -2.592 2.919 1.00 2.14 H new ATOM 47 N MET A 25 -5.678 -0.166 1.269 1.00 62.34 N ATOM 48 CA MET A 25 -6.763 0.298 0.392 1.00 64.14 C ATOM 49 C MET A 25 -6.679 -0.437 -0.952 1.00 41.43 C ATOM 50 O MET A 25 -5.584 -0.764 -1.433 1.00 54.40 O ATOM 51 CB MET A 25 -6.710 1.842 0.160 1.00 72.22 C ATOM 52 CG MET A 25 -6.944 2.709 1.424 1.00 62.40 C ATOM 53 SD MET A 25 -7.984 4.166 1.145 1.00 34.24 S ATOM 54 CE MET A 25 -7.225 4.947 -0.275 1.00 72.42 C ATOM 0 H MET A 25 -4.768 -0.191 0.808 1.00 62.34 H new ATOM 0 HA MET A 25 -7.711 0.076 0.883 1.00 64.14 H new ATOM 0 HB2 MET A 25 -5.737 2.097 -0.260 1.00 72.22 H new ATOM 0 HB3 MET A 25 -7.459 2.107 -0.586 1.00 72.22 H new ATOM 0 HG2 MET A 25 -7.404 2.091 2.195 1.00 62.40 H new ATOM 0 HG3 MET A 25 -5.978 3.035 1.811 1.00 62.40 H new ATOM 0 HE1 MET A 25 -7.747 5.877 -0.501 1.00 72.42 H new ATOM 0 HE2 MET A 25 -6.179 5.162 -0.056 1.00 72.42 H new ATOM 0 HE3 MET A 25 -7.286 4.279 -1.134 1.00 72.42 H new ATOM 64 N LYS A 26 -7.854 -0.706 -1.531 1.00 74.22 N ATOM 65 CA LYS A 26 -7.990 -1.296 -2.873 1.00 51.45 C ATOM 66 C LYS A 26 -7.654 -0.239 -3.939 1.00 23.23 C ATOM 67 O LYS A 26 -8.063 0.911 -3.800 1.00 5.41 O ATOM 68 CB LYS A 26 -9.437 -1.829 -3.061 1.00 21.03 C ATOM 69 CG LYS A 26 -9.833 -2.983 -2.100 1.00 52.14 C ATOM 70 CD LYS A 26 -9.026 -4.286 -2.360 1.00 1.34 C ATOM 71 CE LYS A 26 -9.342 -4.930 -3.725 1.00 63.43 C ATOM 72 NZ LYS A 26 -8.439 -6.066 -4.036 1.00 25.50 N ATOM 0 H LYS A 26 -8.749 -0.519 -1.079 1.00 74.22 H new ATOM 0 HA LYS A 26 -7.296 -2.129 -2.982 1.00 51.45 H new ATOM 0 HB2 LYS A 26 -10.135 -1.003 -2.922 1.00 21.03 H new ATOM 0 HB3 LYS A 26 -9.552 -2.174 -4.088 1.00 21.03 H new ATOM 0 HG2 LYS A 26 -9.675 -2.663 -1.070 1.00 52.14 H new ATOM 0 HG3 LYS A 26 -10.897 -3.192 -2.209 1.00 52.14 H new ATOM 0 HD2 LYS A 26 -7.960 -4.063 -2.308 1.00 1.34 H new ATOM 0 HD3 LYS A 26 -9.240 -5.003 -1.568 1.00 1.34 H new ATOM 0 HE2 LYS A 26 -10.375 -5.278 -3.729 1.00 63.43 H new ATOM 0 HE3 LYS A 26 -9.257 -4.176 -4.508 1.00 63.43 H new ATOM 0 HZ1 LYS A 26 -8.690 -6.466 -4.963 1.00 25.50 H new ATOM 0 HZ2 LYS A 26 -7.455 -5.731 -4.059 1.00 25.50 H new ATOM 0 HZ3 LYS A 26 -8.538 -6.799 -3.305 1.00 25.50 H new ATOM 86 N LYS A 27 -6.915 -0.652 -4.988 1.00 55.31 N ATOM 87 CA LYS A 27 -6.419 0.247 -6.063 1.00 63.15 C ATOM 88 C LYS A 27 -7.572 1.043 -6.724 1.00 4.41 C ATOM 89 O LYS A 27 -7.413 2.232 -6.997 1.00 34.44 O ATOM 90 CB LYS A 27 -5.606 -0.567 -7.129 1.00 31.44 C ATOM 91 CG LYS A 27 -4.677 0.262 -8.073 1.00 2.05 C ATOM 92 CD LYS A 27 -5.420 1.011 -9.216 1.00 21.03 C ATOM 93 CE LYS A 27 -4.499 1.906 -10.061 1.00 3.31 C ATOM 94 NZ LYS A 27 -5.230 2.574 -11.163 1.00 50.30 N ATOM 0 H LYS A 27 -6.640 -1.626 -5.119 1.00 55.31 H new ATOM 0 HA LYS A 27 -5.750 0.976 -5.605 1.00 63.15 H new ATOM 0 HB2 LYS A 27 -4.994 -1.301 -6.605 1.00 31.44 H new ATOM 0 HB3 LYS A 27 -6.312 -1.123 -7.746 1.00 31.44 H new ATOM 0 HG2 LYS A 27 -4.129 0.990 -7.475 1.00 2.05 H new ATOM 0 HG3 LYS A 27 -3.939 -0.407 -8.515 1.00 2.05 H new ATOM 0 HD2 LYS A 27 -5.900 0.280 -9.867 1.00 21.03 H new ATOM 0 HD3 LYS A 27 -6.212 1.623 -8.784 1.00 21.03 H new ATOM 0 HE2 LYS A 27 -4.040 2.660 -9.421 1.00 3.31 H new ATOM 0 HE3 LYS A 27 -3.690 1.304 -10.475 1.00 3.31 H new ATOM 0 HZ1 LYS A 27 -4.599 2.684 -11.982 1.00 50.30 H new ATOM 0 HZ2 LYS A 27 -6.052 1.997 -11.434 1.00 50.30 H new ATOM 0 HZ3 LYS A 27 -5.553 3.511 -10.847 1.00 50.30 H new ATOM 108 N THR A 28 -8.722 0.376 -6.955 1.00 75.44 N ATOM 109 CA THR A 28 -9.895 0.988 -7.627 1.00 62.03 C ATOM 110 C THR A 28 -10.401 2.238 -6.872 1.00 54.15 C ATOM 111 O THR A 28 -10.569 3.310 -7.468 1.00 21.34 O ATOM 112 CB THR A 28 -11.061 -0.048 -7.769 1.00 45.44 C ATOM 113 OG1 THR A 28 -10.581 -1.225 -8.449 1.00 42.22 O ATOM 114 CG2 THR A 28 -12.274 0.532 -8.532 1.00 73.13 C ATOM 0 H THR A 28 -8.867 -0.597 -6.684 1.00 75.44 H new ATOM 0 HA THR A 28 -9.567 1.297 -8.619 1.00 62.03 H new ATOM 0 HB THR A 28 -11.398 -0.301 -6.764 1.00 45.44 H new ATOM 0 HG1 THR A 28 -11.311 -1.873 -8.536 1.00 42.22 H new ATOM 0 HG21 THR A 28 -13.055 -0.225 -8.604 1.00 73.13 H new ATOM 0 HG22 THR A 28 -12.659 1.401 -7.997 1.00 73.13 H new ATOM 0 HG23 THR A 28 -11.965 0.830 -9.534 1.00 73.13 H new ATOM 122 N ASP A 29 -10.605 2.091 -5.552 1.00 0.52 N ATOM 123 CA ASP A 29 -11.136 3.179 -4.713 1.00 55.32 C ATOM 124 C ASP A 29 -10.026 4.207 -4.404 1.00 10.05 C ATOM 125 O ASP A 29 -10.291 5.411 -4.338 1.00 65.31 O ATOM 126 CB ASP A 29 -11.762 2.618 -3.414 1.00 23.55 C ATOM 127 CG ASP A 29 -12.580 3.668 -2.632 1.00 2.13 C ATOM 128 OD1 ASP A 29 -13.765 3.895 -2.979 1.00 71.41 O ATOM 129 OD2 ASP A 29 -12.046 4.276 -1.678 1.00 24.32 O ATOM 0 H ASP A 29 -10.410 1.229 -5.043 1.00 0.52 H new ATOM 0 HA ASP A 29 -11.926 3.689 -5.264 1.00 55.32 H new ATOM 0 HB2 ASP A 29 -12.407 1.776 -3.663 1.00 23.55 H new ATOM 0 HB3 ASP A 29 -10.969 2.233 -2.773 1.00 23.55 H new ATOM 134 N PHE A 30 -8.785 3.716 -4.220 1.00 15.22 N ATOM 135 CA PHE A 30 -7.592 4.573 -4.090 1.00 50.44 C ATOM 136 C PHE A 30 -7.404 5.509 -5.309 1.00 61.35 C ATOM 137 O PHE A 30 -7.026 6.669 -5.139 1.00 14.14 O ATOM 138 CB PHE A 30 -6.311 3.714 -3.900 1.00 1.32 C ATOM 139 CG PHE A 30 -5.036 4.549 -3.921 1.00 0.32 C ATOM 140 CD1 PHE A 30 -4.649 5.275 -2.803 1.00 63.22 C ATOM 141 CD2 PHE A 30 -4.249 4.645 -5.076 1.00 52.51 C ATOM 142 CE1 PHE A 30 -3.537 6.069 -2.832 1.00 65.31 C ATOM 143 CE2 PHE A 30 -3.136 5.439 -5.098 1.00 40.11 C ATOM 144 CZ PHE A 30 -2.779 6.147 -3.973 1.00 61.44 C ATOM 0 H PHE A 30 -8.582 2.718 -4.158 1.00 15.22 H new ATOM 0 HA PHE A 30 -7.752 5.193 -3.208 1.00 50.44 H new ATOM 0 HB2 PHE A 30 -6.374 3.179 -2.953 1.00 1.32 H new ATOM 0 HB3 PHE A 30 -6.262 2.963 -4.688 1.00 1.32 H new ATOM 0 HD1 PHE A 30 -5.235 5.212 -1.898 1.00 63.22 H new ATOM 0 HD2 PHE A 30 -4.524 4.086 -5.958 1.00 52.51 H new ATOM 0 HE1 PHE A 30 -3.255 6.635 -1.957 1.00 65.31 H new ATOM 0 HE2 PHE A 30 -2.539 5.510 -5.995 1.00 40.11 H new ATOM 0 HZ PHE A 30 -1.896 6.768 -3.988 1.00 61.44 H new ATOM 154 N ASP A 31 -7.657 4.981 -6.521 1.00 33.02 N ATOM 155 CA ASP A 31 -7.382 5.691 -7.799 1.00 41.15 C ATOM 156 C ASP A 31 -8.087 7.062 -7.828 1.00 3.33 C ATOM 157 O ASP A 31 -7.491 8.079 -8.207 1.00 53.33 O ATOM 158 CB ASP A 31 -7.834 4.823 -9.004 1.00 44.12 C ATOM 159 CG ASP A 31 -7.464 5.427 -10.375 1.00 2.03 C ATOM 160 OD1 ASP A 31 -6.338 5.178 -10.858 1.00 33.30 O ATOM 161 OD2 ASP A 31 -8.290 6.153 -10.976 1.00 1.51 O ATOM 0 H ASP A 31 -8.057 4.052 -6.649 1.00 33.02 H new ATOM 0 HA ASP A 31 -6.308 5.861 -7.873 1.00 41.15 H new ATOM 0 HB2 ASP A 31 -7.383 3.835 -8.918 1.00 44.12 H new ATOM 0 HB3 ASP A 31 -8.914 4.685 -8.957 1.00 44.12 H new ATOM 166 N LYS A 32 -9.332 7.052 -7.332 1.00 14.41 N ATOM 167 CA LYS A 32 -10.200 8.239 -7.178 1.00 44.00 C ATOM 168 C LYS A 32 -9.492 9.388 -6.423 1.00 10.41 C ATOM 169 O LYS A 32 -9.674 10.563 -6.754 1.00 54.14 O ATOM 170 CB LYS A 32 -11.467 7.810 -6.390 1.00 23.50 C ATOM 171 CG LYS A 32 -12.280 6.676 -7.057 1.00 22.02 C ATOM 172 CD LYS A 32 -13.228 5.946 -6.077 1.00 13.03 C ATOM 173 CE LYS A 32 -14.217 6.880 -5.368 1.00 72.41 C ATOM 174 NZ LYS A 32 -14.987 6.178 -4.312 1.00 42.23 N ATOM 0 H LYS A 32 -9.782 6.193 -7.015 1.00 14.41 H new ATOM 0 HA LYS A 32 -10.454 8.613 -8.170 1.00 44.00 H new ATOM 0 HB2 LYS A 32 -11.168 7.488 -5.392 1.00 23.50 H new ATOM 0 HB3 LYS A 32 -12.113 8.679 -6.264 1.00 23.50 H new ATOM 0 HG2 LYS A 32 -12.866 7.092 -7.877 1.00 22.02 H new ATOM 0 HG3 LYS A 32 -11.591 5.952 -7.493 1.00 22.02 H new ATOM 0 HD2 LYS A 32 -13.787 5.186 -6.623 1.00 13.03 H new ATOM 0 HD3 LYS A 32 -12.632 5.426 -5.328 1.00 13.03 H new ATOM 0 HE2 LYS A 32 -13.673 7.715 -4.926 1.00 72.41 H new ATOM 0 HE3 LYS A 32 -14.906 7.301 -6.100 1.00 72.41 H new ATOM 0 HZ1 LYS A 32 -15.220 6.846 -3.550 1.00 42.23 H new ATOM 0 HZ2 LYS A 32 -15.865 5.797 -4.718 1.00 42.23 H new ATOM 0 HZ3 LYS A 32 -14.417 5.398 -3.927 1.00 42.23 H new ATOM 188 N VAL A 33 -8.668 9.022 -5.419 1.00 70.21 N ATOM 189 CA VAL A 33 -7.946 9.982 -4.554 1.00 54.54 C ATOM 190 C VAL A 33 -6.416 9.870 -4.741 1.00 14.31 C ATOM 191 O VAL A 33 -5.657 10.362 -3.904 1.00 65.03 O ATOM 192 CB VAL A 33 -8.319 9.756 -3.032 1.00 45.44 C ATOM 193 CG1 VAL A 33 -9.823 10.001 -2.790 1.00 11.03 C ATOM 194 CG2 VAL A 33 -7.908 8.340 -2.548 1.00 44.12 C ATOM 0 H VAL A 33 -8.483 8.047 -5.183 1.00 70.21 H new ATOM 0 HA VAL A 33 -8.255 10.984 -4.851 1.00 54.54 H new ATOM 0 HB VAL A 33 -7.755 10.482 -2.446 1.00 45.44 H new ATOM 0 HG11 VAL A 33 -10.053 9.839 -1.737 1.00 11.03 H new ATOM 0 HG12 VAL A 33 -10.073 11.026 -3.063 1.00 11.03 H new ATOM 0 HG13 VAL A 33 -10.407 9.311 -3.399 1.00 11.03 H new ATOM 0 HG21 VAL A 33 -8.179 8.221 -1.499 1.00 44.12 H new ATOM 0 HG22 VAL A 33 -8.424 7.588 -3.144 1.00 44.12 H new ATOM 0 HG23 VAL A 33 -6.831 8.215 -2.660 1.00 44.12 H new ATOM 204 N ALA A 34 -5.967 9.262 -5.860 1.00 71.11 N ATOM 205 CA ALA A 34 -4.523 9.009 -6.104 1.00 14.35 C ATOM 206 C ALA A 34 -3.691 10.316 -6.150 1.00 43.40 C ATOM 207 O ALA A 34 -2.524 10.321 -5.760 1.00 63.12 O ATOM 208 CB ALA A 34 -4.331 8.201 -7.395 1.00 32.34 C ATOM 0 H ALA A 34 -6.578 8.937 -6.609 1.00 71.11 H new ATOM 0 HA ALA A 34 -4.153 8.427 -5.260 1.00 14.35 H new ATOM 0 HB1 ALA A 34 -3.268 8.024 -7.559 1.00 32.34 H new ATOM 0 HB2 ALA A 34 -4.848 7.246 -7.307 1.00 32.34 H new ATOM 0 HB3 ALA A 34 -4.740 8.759 -8.237 1.00 32.34 H new ATOM 214 N SER A 35 -4.321 11.416 -6.606 1.00 15.31 N ATOM 215 CA SER A 35 -3.685 12.749 -6.700 1.00 53.44 C ATOM 216 C SER A 35 -3.352 13.332 -5.308 1.00 60.43 C ATOM 217 O SER A 35 -2.516 14.236 -5.193 1.00 62.32 O ATOM 218 CB SER A 35 -4.605 13.711 -7.480 1.00 11.33 C ATOM 219 OG SER A 35 -5.871 13.846 -6.847 1.00 74.50 O ATOM 0 H SER A 35 -5.291 11.407 -6.922 1.00 15.31 H new ATOM 0 HA SER A 35 -2.742 12.633 -7.234 1.00 53.44 H new ATOM 0 HB2 SER A 35 -4.129 14.689 -7.558 1.00 11.33 H new ATOM 0 HB3 SER A 35 -4.742 13.342 -8.496 1.00 11.33 H new ATOM 0 HG SER A 35 -5.762 14.320 -5.996 1.00 74.50 H new ATOM 225 N GLU A 36 -4.019 12.803 -4.259 1.00 74.42 N ATOM 226 CA GLU A 36 -3.770 13.204 -2.859 1.00 51.52 C ATOM 227 C GLU A 36 -2.499 12.526 -2.312 1.00 44.13 C ATOM 228 O GLU A 36 -2.049 12.834 -1.205 1.00 22.51 O ATOM 229 CB GLU A 36 -4.982 12.827 -1.956 1.00 22.40 C ATOM 230 CG GLU A 36 -6.362 13.292 -2.469 1.00 11.03 C ATOM 231 CD GLU A 36 -6.414 14.779 -2.857 1.00 53.20 C ATOM 232 OE1 GLU A 36 -6.353 15.644 -1.953 1.00 53.21 O ATOM 233 OE2 GLU A 36 -6.507 15.090 -4.072 1.00 72.01 O ATOM 0 H GLU A 36 -4.741 12.090 -4.359 1.00 74.42 H new ATOM 0 HA GLU A 36 -3.632 14.285 -2.844 1.00 51.52 H new ATOM 0 HB2 GLU A 36 -5.003 11.743 -1.840 1.00 22.40 H new ATOM 0 HB3 GLU A 36 -4.820 13.251 -0.965 1.00 22.40 H new ATOM 0 HG2 GLU A 36 -6.638 12.691 -3.335 1.00 11.03 H new ATOM 0 HG3 GLU A 36 -7.108 13.102 -1.698 1.00 11.03 H new ATOM 240 N TYR A 37 -1.943 11.567 -3.089 1.00 5.11 N ATOM 241 CA TYR A 37 -0.808 10.731 -2.666 1.00 54.24 C ATOM 242 C TYR A 37 0.283 10.717 -3.748 1.00 20.13 C ATOM 243 O TYR A 37 0.006 10.985 -4.925 1.00 43.31 O ATOM 244 CB TYR A 37 -1.306 9.294 -2.368 1.00 34.34 C ATOM 245 CG TYR A 37 -2.388 9.244 -1.280 1.00 54.42 C ATOM 246 CD1 TYR A 37 -2.042 9.265 0.063 1.00 0.12 C ATOM 247 CD2 TYR A 37 -3.751 9.244 -1.598 1.00 45.12 C ATOM 248 CE1 TYR A 37 -2.999 9.283 1.047 1.00 40.21 C ATOM 249 CE2 TYR A 37 -4.716 9.253 -0.614 1.00 74.53 C ATOM 250 CZ TYR A 37 -4.335 9.276 0.709 1.00 53.11 C ATOM 251 OH TYR A 37 -5.293 9.312 1.699 1.00 11.12 O ATOM 0 H TYR A 37 -2.275 11.355 -4.030 1.00 5.11 H new ATOM 0 HA TYR A 37 -0.373 11.149 -1.758 1.00 54.24 H new ATOM 0 HB2 TYR A 37 -1.701 8.855 -3.285 1.00 34.34 H new ATOM 0 HB3 TYR A 37 -0.460 8.680 -2.059 1.00 34.34 H new ATOM 0 HD1 TYR A 37 -0.998 9.267 0.340 1.00 0.12 H new ATOM 0 HD2 TYR A 37 -4.053 9.237 -2.635 1.00 45.12 H new ATOM 0 HE1 TYR A 37 -2.705 9.303 2.086 1.00 40.21 H new ATOM 0 HE2 TYR A 37 -5.763 9.242 -0.879 1.00 74.53 H new ATOM 0 HH TYR A 37 -6.184 9.302 1.292 1.00 11.12 H new ATOM 261 N THR A 38 1.531 10.434 -3.334 1.00 33.11 N ATOM 262 CA THR A 38 2.673 10.288 -4.259 1.00 20.40 C ATOM 263 C THR A 38 3.382 8.946 -4.000 1.00 42.25 C ATOM 264 O THR A 38 3.627 8.579 -2.850 1.00 12.42 O ATOM 265 CB THR A 38 3.680 11.488 -4.154 1.00 4.21 C ATOM 266 OG1 THR A 38 4.721 11.342 -5.139 1.00 23.22 O ATOM 267 CG2 THR A 38 4.304 11.642 -2.753 1.00 64.53 C ATOM 0 H THR A 38 1.777 10.300 -2.353 1.00 33.11 H new ATOM 0 HA THR A 38 2.285 10.298 -5.277 1.00 20.40 H new ATOM 0 HB THR A 38 3.105 12.395 -4.341 1.00 4.21 H new ATOM 0 HG1 THR A 38 5.345 12.095 -5.070 1.00 23.22 H new ATOM 0 HG21 THR A 38 4.989 12.490 -2.751 1.00 64.53 H new ATOM 0 HG22 THR A 38 3.515 11.812 -2.020 1.00 64.53 H new ATOM 0 HG23 THR A 38 4.849 10.734 -2.496 1.00 64.53 H new ATOM 275 N LYS A 39 3.677 8.204 -5.082 1.00 24.42 N ATOM 276 CA LYS A 39 4.258 6.858 -4.992 1.00 33.14 C ATOM 277 C LYS A 39 5.726 6.932 -4.561 1.00 11.54 C ATOM 278 O LYS A 39 6.541 7.570 -5.234 1.00 1.12 O ATOM 279 CB LYS A 39 4.118 6.137 -6.355 1.00 34.12 C ATOM 280 CG LYS A 39 4.692 4.707 -6.392 1.00 4.44 C ATOM 281 CD LYS A 39 4.426 3.994 -7.737 1.00 75.02 C ATOM 282 CE LYS A 39 5.103 2.616 -7.808 1.00 74.21 C ATOM 283 NZ LYS A 39 4.795 1.898 -9.066 1.00 51.04 N ATOM 0 H LYS A 39 3.519 8.521 -6.038 1.00 24.42 H new ATOM 0 HA LYS A 39 3.718 6.287 -4.237 1.00 33.14 H new ATOM 0 HB2 LYS A 39 3.062 6.096 -6.622 1.00 34.12 H new ATOM 0 HB3 LYS A 39 4.617 6.734 -7.119 1.00 34.12 H new ATOM 0 HG2 LYS A 39 5.766 4.746 -6.212 1.00 4.44 H new ATOM 0 HG3 LYS A 39 4.254 4.123 -5.583 1.00 4.44 H new ATOM 0 HD2 LYS A 39 3.352 3.877 -7.878 1.00 75.02 H new ATOM 0 HD3 LYS A 39 4.788 4.617 -8.555 1.00 75.02 H new ATOM 0 HE2 LYS A 39 6.182 2.740 -7.719 1.00 74.21 H new ATOM 0 HE3 LYS A 39 4.780 2.012 -6.960 1.00 74.21 H new ATOM 0 HZ1 LYS A 39 5.537 1.194 -9.255 1.00 51.04 H new ATOM 0 HZ2 LYS A 39 3.877 1.418 -8.976 1.00 51.04 H new ATOM 0 HZ3 LYS A 39 4.754 2.577 -9.852 1.00 51.04 H new ATOM 297 N ILE A 40 6.053 6.293 -3.429 1.00 22.42 N ATOM 298 CA ILE A 40 7.432 6.248 -2.917 1.00 14.33 C ATOM 299 C ILE A 40 8.084 4.876 -3.199 1.00 12.42 C ATOM 300 O ILE A 40 9.267 4.676 -2.899 1.00 14.52 O ATOM 301 CB ILE A 40 7.497 6.603 -1.384 1.00 0.22 C ATOM 302 CG1 ILE A 40 6.750 5.552 -0.509 1.00 41.52 C ATOM 303 CG2 ILE A 40 6.932 8.027 -1.133 1.00 73.01 C ATOM 304 CD1 ILE A 40 6.893 5.753 0.994 1.00 31.43 C ATOM 0 H ILE A 40 5.378 5.797 -2.847 1.00 22.42 H new ATOM 0 HA ILE A 40 8.002 7.009 -3.450 1.00 14.33 H new ATOM 0 HB ILE A 40 8.546 6.582 -1.087 1.00 0.22 H new ATOM 0 HG12 ILE A 40 5.691 5.574 -0.765 1.00 41.52 H new ATOM 0 HG13 ILE A 40 7.119 4.559 -0.765 1.00 41.52 H new ATOM 0 HG21 ILE A 40 6.984 8.257 -0.069 1.00 73.01 H new ATOM 0 HG22 ILE A 40 7.521 8.755 -1.691 1.00 73.01 H new ATOM 0 HG23 ILE A 40 5.894 8.070 -1.463 1.00 73.01 H new ATOM 0 HD11 ILE A 40 6.340 4.975 1.519 1.00 31.43 H new ATOM 0 HD12 ILE A 40 7.946 5.699 1.270 1.00 31.43 H new ATOM 0 HD13 ILE A 40 6.496 6.730 1.270 1.00 31.43 H new ATOM 316 N GLY A 41 7.303 3.940 -3.782 1.00 1.25 N ATOM 317 CA GLY A 41 7.815 2.630 -4.191 1.00 1.00 C ATOM 318 C GLY A 41 6.709 1.612 -4.446 1.00 1.35 C ATOM 319 O GLY A 41 5.518 1.948 -4.412 1.00 3.13 O ATOM 0 H GLY A 41 6.311 4.077 -3.977 1.00 1.25 H new ATOM 0 HA2 GLY A 41 8.411 2.745 -5.096 1.00 1.00 H new ATOM 0 HA3 GLY A 41 8.481 2.249 -3.417 1.00 1.00 H new ATOM 323 N THR A 42 7.120 0.374 -4.745 1.00 4.25 N ATOM 324 CA THR A 42 6.237 -0.808 -4.765 1.00 72.44 C ATOM 325 C THR A 42 6.865 -1.891 -3.876 1.00 33.44 C ATOM 326 O THR A 42 8.062 -2.172 -4.001 1.00 62.10 O ATOM 327 CB THR A 42 6.052 -1.367 -6.222 1.00 14.15 C ATOM 328 OG1 THR A 42 5.439 -0.370 -7.048 1.00 60.31 O ATOM 329 CG2 THR A 42 5.191 -2.654 -6.262 1.00 73.40 C ATOM 0 H THR A 42 8.088 0.158 -4.984 1.00 4.25 H new ATOM 0 HA THR A 42 5.253 -0.520 -4.395 1.00 72.44 H new ATOM 0 HB THR A 42 7.045 -1.620 -6.594 1.00 14.15 H new ATOM 0 HG1 THR A 42 5.327 -0.721 -7.956 1.00 60.31 H new ATOM 0 HG21 THR A 42 5.096 -2.996 -7.292 1.00 73.40 H new ATOM 0 HG22 THR A 42 5.669 -3.430 -5.664 1.00 73.40 H new ATOM 0 HG23 THR A 42 4.201 -2.442 -5.857 1.00 73.40 H new ATOM 337 N ILE A 43 6.065 -2.492 -2.981 1.00 22.41 N ATOM 338 CA ILE A 43 6.498 -3.623 -2.147 1.00 43.03 C ATOM 339 C ILE A 43 5.738 -4.903 -2.533 1.00 43.34 C ATOM 340 O ILE A 43 4.753 -4.874 -3.292 1.00 13.13 O ATOM 341 CB ILE A 43 6.319 -3.344 -0.602 1.00 2.11 C ATOM 342 CG1 ILE A 43 4.813 -3.172 -0.228 1.00 34.03 C ATOM 343 CG2 ILE A 43 7.152 -2.113 -0.162 1.00 23.44 C ATOM 344 CD1 ILE A 43 4.545 -3.027 1.258 1.00 62.03 C ATOM 0 H ILE A 43 5.100 -2.207 -2.816 1.00 22.41 H new ATOM 0 HA ILE A 43 7.563 -3.757 -2.335 1.00 43.03 H new ATOM 0 HB ILE A 43 6.694 -4.212 -0.060 1.00 2.11 H new ATOM 0 HG12 ILE A 43 4.422 -2.294 -0.742 1.00 34.03 H new ATOM 0 HG13 ILE A 43 4.259 -4.033 -0.602 1.00 34.03 H new ATOM 0 HG21 ILE A 43 7.012 -1.942 0.905 1.00 23.44 H new ATOM 0 HG22 ILE A 43 8.207 -2.296 -0.365 1.00 23.44 H new ATOM 0 HG23 ILE A 43 6.823 -1.234 -0.717 1.00 23.44 H new ATOM 0 HD11 ILE A 43 3.474 -2.913 1.425 1.00 62.03 H new ATOM 0 HD12 ILE A 43 4.901 -3.915 1.780 1.00 62.03 H new ATOM 0 HD13 ILE A 43 5.067 -2.149 1.638 1.00 62.03 H new ATOM 356 N SER A 44 6.223 -6.013 -1.982 1.00 33.14 N ATOM 357 CA SER A 44 5.657 -7.348 -2.154 1.00 13.32 C ATOM 358 C SER A 44 5.591 -8.045 -0.796 1.00 34.40 C ATOM 359 O SER A 44 6.326 -7.685 0.129 1.00 13.53 O ATOM 360 CB SER A 44 6.519 -8.140 -3.172 1.00 45.11 C ATOM 361 OG SER A 44 6.165 -9.518 -3.250 1.00 21.44 O ATOM 0 H SER A 44 7.049 -6.007 -1.383 1.00 33.14 H new ATOM 0 HA SER A 44 4.643 -7.289 -2.549 1.00 13.32 H new ATOM 0 HB2 SER A 44 6.414 -7.687 -4.158 1.00 45.11 H new ATOM 0 HB3 SER A 44 7.569 -8.056 -2.893 1.00 45.11 H new ATOM 0 HG SER A 44 5.193 -9.612 -3.162 1.00 21.44 H new ATOM 367 N THR A 45 4.677 -9.007 -0.677 1.00 53.32 N ATOM 368 CA THR A 45 4.491 -9.783 0.544 1.00 44.34 C ATOM 369 C THR A 45 5.636 -10.807 0.714 1.00 51.44 C ATOM 370 O THR A 45 6.082 -11.411 -0.266 1.00 62.41 O ATOM 371 CB THR A 45 3.105 -10.495 0.512 1.00 44.24 C ATOM 372 OG1 THR A 45 2.064 -9.517 0.336 1.00 60.04 O ATOM 373 CG2 THR A 45 2.832 -11.295 1.783 1.00 72.21 C ATOM 0 H THR A 45 4.042 -9.270 -1.431 1.00 53.32 H new ATOM 0 HA THR A 45 4.515 -9.110 1.401 1.00 44.34 H new ATOM 0 HB THR A 45 3.120 -11.195 -0.323 1.00 44.24 H new ATOM 0 HG1 THR A 45 1.545 -9.439 1.164 1.00 60.04 H new ATOM 0 HG21 THR A 45 1.854 -11.771 1.710 1.00 72.21 H new ATOM 0 HG22 THR A 45 3.600 -12.059 1.904 1.00 72.21 H new ATOM 0 HG23 THR A 45 2.847 -10.627 2.644 1.00 72.21 H new ATOM 381 N THR A 46 6.129 -10.963 1.957 1.00 71.33 N ATOM 382 CA THR A 46 7.160 -11.949 2.298 1.00 22.42 C ATOM 383 C THR A 46 6.521 -13.353 2.309 1.00 74.42 C ATOM 384 O THR A 46 5.916 -13.768 3.307 1.00 53.13 O ATOM 385 CB THR A 46 7.813 -11.624 3.687 1.00 42.24 C ATOM 386 OG1 THR A 46 8.231 -10.254 3.715 1.00 53.14 O ATOM 387 CG2 THR A 46 9.025 -12.517 4.003 1.00 72.41 C ATOM 0 H THR A 46 5.819 -10.405 2.752 1.00 71.33 H new ATOM 0 HA THR A 46 7.953 -11.914 1.551 1.00 22.42 H new ATOM 0 HB THR A 46 7.053 -11.817 4.444 1.00 42.24 H new ATOM 0 HG1 THR A 46 8.637 -10.054 4.584 1.00 53.14 H new ATOM 0 HG21 THR A 46 9.434 -12.245 4.976 1.00 72.41 H new ATOM 0 HG22 THR A 46 8.713 -13.561 4.020 1.00 72.41 H new ATOM 0 HG23 THR A 46 9.788 -12.379 3.237 1.00 72.41 H new ATOM 395 N GLY A 47 6.598 -14.034 1.151 1.00 75.25 N ATOM 396 CA GLY A 47 5.970 -15.344 0.962 1.00 71.41 C ATOM 397 C GLY A 47 4.524 -15.234 0.488 1.00 12.43 C ATOM 398 O GLY A 47 3.911 -14.164 0.581 1.00 35.13 O ATOM 0 H GLY A 47 7.095 -13.691 0.329 1.00 75.25 H new ATOM 0 HA2 GLY A 47 6.545 -15.918 0.235 1.00 71.41 H new ATOM 0 HA3 GLY A 47 6.000 -15.897 1.901 1.00 71.41 H new ATOM 402 N GLU A 48 3.989 -16.343 -0.041 1.00 41.15 N ATOM 403 CA GLU A 48 2.599 -16.426 -0.491 1.00 14.22 C ATOM 404 C GLU A 48 1.708 -16.779 0.709 1.00 71.32 C ATOM 405 O GLU A 48 1.590 -17.954 1.082 1.00 12.12 O ATOM 406 CB GLU A 48 2.444 -17.464 -1.642 1.00 42.12 C ATOM 407 CG GLU A 48 3.279 -17.172 -2.918 1.00 23.10 C ATOM 408 CD GLU A 48 4.758 -17.595 -2.816 1.00 12.45 C ATOM 409 OE1 GLU A 48 5.070 -18.762 -3.144 1.00 44.34 O ATOM 410 OE2 GLU A 48 5.612 -16.774 -2.408 1.00 4.12 O ATOM 0 H GLU A 48 4.513 -17.209 -0.168 1.00 41.15 H new ATOM 0 HA GLU A 48 2.289 -15.462 -0.893 1.00 14.22 H new ATOM 0 HB2 GLU A 48 2.723 -18.447 -1.262 1.00 42.12 H new ATOM 0 HB3 GLU A 48 1.392 -17.517 -1.921 1.00 42.12 H new ATOM 0 HG2 GLU A 48 2.823 -17.688 -3.763 1.00 23.10 H new ATOM 0 HG3 GLU A 48 3.232 -16.104 -3.133 1.00 23.10 H new ATOM 417 N MET A 49 1.131 -15.739 1.337 1.00 22.43 N ATOM 418 CA MET A 49 0.316 -15.878 2.560 1.00 33.20 C ATOM 419 C MET A 49 -1.170 -15.567 2.301 1.00 71.40 C ATOM 420 O MET A 49 -1.552 -15.051 1.239 1.00 1.11 O ATOM 421 CB MET A 49 0.881 -14.967 3.695 1.00 71.12 C ATOM 422 CG MET A 49 2.281 -15.375 4.194 1.00 22.13 C ATOM 423 SD MET A 49 2.823 -14.455 5.653 1.00 2.13 S ATOM 424 CE MET A 49 2.983 -12.790 5.010 1.00 54.32 C ATOM 0 H MET A 49 1.216 -14.776 1.011 1.00 22.43 H new ATOM 0 HA MET A 49 0.376 -16.919 2.879 1.00 33.20 H new ATOM 0 HB2 MET A 49 0.921 -13.939 3.334 1.00 71.12 H new ATOM 0 HB3 MET A 49 0.189 -14.983 4.537 1.00 71.12 H new ATOM 0 HG2 MET A 49 2.279 -16.440 4.426 1.00 22.13 H new ATOM 0 HG3 MET A 49 3.002 -15.225 3.391 1.00 22.13 H new ATOM 0 HE1 MET A 49 3.508 -12.169 5.735 1.00 54.32 H new ATOM 0 HE2 MET A 49 3.546 -12.813 4.077 1.00 54.32 H new ATOM 0 HE3 MET A 49 1.992 -12.374 4.826 1.00 54.32 H new ATOM 434 N SER A 50 -1.989 -15.912 3.311 1.00 53.33 N ATOM 435 CA SER A 50 -3.449 -15.679 3.336 1.00 45.12 C ATOM 436 C SER A 50 -3.760 -14.150 3.341 1.00 2.30 C ATOM 437 O SER A 50 -2.892 -13.384 3.753 1.00 64.20 O ATOM 438 CB SER A 50 -4.016 -16.379 4.597 1.00 65.53 C ATOM 439 OG SER A 50 -3.586 -17.730 4.674 1.00 3.40 O ATOM 0 H SER A 50 -1.648 -16.372 4.155 1.00 53.33 H new ATOM 0 HA SER A 50 -3.920 -16.092 2.444 1.00 45.12 H new ATOM 0 HB2 SER A 50 -3.695 -15.841 5.489 1.00 65.53 H new ATOM 0 HB3 SER A 50 -5.105 -16.342 4.577 1.00 65.53 H new ATOM 0 HG SER A 50 -3.957 -18.146 5.480 1.00 3.40 H new ATOM 445 N PRO A 51 -5.004 -13.688 2.917 1.00 35.53 N ATOM 446 CA PRO A 51 -5.315 -12.243 2.672 1.00 45.42 C ATOM 447 C PRO A 51 -4.848 -11.289 3.786 1.00 54.43 C ATOM 448 O PRO A 51 -4.056 -10.386 3.528 1.00 12.55 O ATOM 449 CB PRO A 51 -6.861 -12.219 2.547 1.00 52.23 C ATOM 450 CG PRO A 51 -7.221 -13.572 2.039 1.00 63.32 C ATOM 451 CD PRO A 51 -6.213 -14.528 2.660 1.00 75.13 C ATOM 0 HA PRO A 51 -4.784 -11.883 1.790 1.00 45.42 H new ATOM 0 HB2 PRO A 51 -7.333 -12.019 3.509 1.00 52.23 H new ATOM 0 HB3 PRO A 51 -7.191 -11.438 1.862 1.00 52.23 H new ATOM 0 HG2 PRO A 51 -8.239 -13.838 2.323 1.00 63.32 H new ATOM 0 HG3 PRO A 51 -7.174 -13.607 0.951 1.00 63.32 H new ATOM 0 HD2 PRO A 51 -6.596 -14.963 3.583 1.00 75.13 H new ATOM 0 HD3 PRO A 51 -5.985 -15.355 1.988 1.00 75.13 H new ATOM 459 N LEU A 52 -5.300 -11.540 5.026 1.00 32.31 N ATOM 460 CA LEU A 52 -5.027 -10.649 6.167 1.00 25.54 C ATOM 461 C LEU A 52 -3.544 -10.724 6.562 1.00 55.30 C ATOM 462 O LEU A 52 -2.946 -9.700 6.864 1.00 4.21 O ATOM 463 CB LEU A 52 -5.933 -10.976 7.392 1.00 73.24 C ATOM 464 CG LEU A 52 -7.469 -10.705 7.244 1.00 64.52 C ATOM 465 CD1 LEU A 52 -7.745 -9.258 6.800 1.00 41.42 C ATOM 466 CD2 LEU A 52 -8.153 -11.721 6.310 1.00 73.55 C ATOM 0 H LEU A 52 -5.860 -12.358 5.265 1.00 32.31 H new ATOM 0 HA LEU A 52 -5.261 -9.632 5.851 1.00 25.54 H new ATOM 0 HB2 LEU A 52 -5.799 -12.029 7.639 1.00 73.24 H new ATOM 0 HB3 LEU A 52 -5.570 -10.400 8.243 1.00 73.24 H new ATOM 0 HG LEU A 52 -7.910 -10.838 8.232 1.00 64.52 H new ATOM 0 HD11 LEU A 52 -8.820 -9.105 6.707 1.00 41.42 H new ATOM 0 HD12 LEU A 52 -7.342 -8.567 7.541 1.00 41.42 H new ATOM 0 HD13 LEU A 52 -7.268 -9.076 5.837 1.00 41.42 H new ATOM 0 HD21 LEU A 52 -9.216 -11.492 6.239 1.00 73.55 H new ATOM 0 HD22 LEU A 52 -7.703 -11.664 5.319 1.00 73.55 H new ATOM 0 HD23 LEU A 52 -8.024 -12.727 6.710 1.00 73.55 H new ATOM 478 N ASP A 53 -2.955 -11.937 6.516 1.00 23.10 N ATOM 479 CA ASP A 53 -1.514 -12.165 6.824 1.00 34.41 C ATOM 480 C ASP A 53 -0.606 -11.395 5.850 1.00 64.22 C ATOM 481 O ASP A 53 0.434 -10.851 6.241 1.00 41.14 O ATOM 482 CB ASP A 53 -1.175 -13.675 6.747 1.00 32.03 C ATOM 483 CG ASP A 53 -1.956 -14.525 7.759 1.00 32.03 C ATOM 484 OD1 ASP A 53 -3.177 -14.727 7.560 1.00 53.00 O ATOM 485 OD2 ASP A 53 -1.361 -15.003 8.751 1.00 13.22 O ATOM 0 H ASP A 53 -3.457 -12.789 6.266 1.00 23.10 H new ATOM 0 HA ASP A 53 -1.335 -11.800 7.835 1.00 34.41 H new ATOM 0 HB2 ASP A 53 -1.385 -14.037 5.740 1.00 32.03 H new ATOM 0 HB3 ASP A 53 -0.107 -13.810 6.918 1.00 32.03 H new ATOM 490 N ALA A 54 -1.036 -11.363 4.579 1.00 54.42 N ATOM 491 CA ALA A 54 -0.355 -10.642 3.500 1.00 70.24 C ATOM 492 C ALA A 54 -0.408 -9.133 3.776 1.00 54.23 C ATOM 493 O ALA A 54 0.605 -8.445 3.685 1.00 42.41 O ATOM 494 CB ALA A 54 -0.996 -10.984 2.139 1.00 70.12 C ATOM 0 H ALA A 54 -1.880 -11.846 4.271 1.00 54.42 H new ATOM 0 HA ALA A 54 0.690 -10.950 3.461 1.00 70.24 H new ATOM 0 HB1 ALA A 54 -0.480 -10.441 1.347 1.00 70.12 H new ATOM 0 HB2 ALA A 54 -0.914 -12.056 1.957 1.00 70.12 H new ATOM 0 HB3 ALA A 54 -2.048 -10.697 2.150 1.00 70.12 H new ATOM 500 N ARG A 55 -1.608 -8.663 4.178 1.00 64.11 N ATOM 501 CA ARG A 55 -1.866 -7.251 4.518 1.00 70.34 C ATOM 502 C ARG A 55 -1.010 -6.793 5.695 1.00 24.22 C ATOM 503 O ARG A 55 -0.485 -5.708 5.651 1.00 1.21 O ATOM 504 CB ARG A 55 -3.349 -7.026 4.867 1.00 55.24 C ATOM 505 CG ARG A 55 -4.308 -7.278 3.699 1.00 34.31 C ATOM 506 CD ARG A 55 -5.781 -7.184 4.117 1.00 0.23 C ATOM 507 NE ARG A 55 -6.667 -7.783 3.118 1.00 4.34 N ATOM 508 CZ ARG A 55 -7.984 -7.576 3.023 1.00 64.20 C ATOM 509 NH1 ARG A 55 -8.609 -6.751 3.854 1.00 75.14 N ATOM 510 NH2 ARG A 55 -8.669 -8.227 2.105 1.00 21.53 N ATOM 0 H ARG A 55 -2.430 -9.259 4.276 1.00 64.11 H new ATOM 0 HA ARG A 55 -1.605 -6.665 3.637 1.00 70.34 H new ATOM 0 HB2 ARG A 55 -3.621 -7.681 5.695 1.00 55.24 H new ATOM 0 HB3 ARG A 55 -3.478 -6.001 5.216 1.00 55.24 H new ATOM 0 HG2 ARG A 55 -4.111 -6.554 2.909 1.00 34.31 H new ATOM 0 HG3 ARG A 55 -4.115 -8.266 3.281 1.00 34.31 H new ATOM 0 HD2 ARG A 55 -5.920 -7.686 5.074 1.00 0.23 H new ATOM 0 HD3 ARG A 55 -6.052 -6.138 4.263 1.00 0.23 H new ATOM 0 HE ARG A 55 -6.243 -8.412 2.436 1.00 4.34 H new ATOM 0 HH11 ARG A 55 -8.084 -6.263 4.579 1.00 75.14 H new ATOM 0 HH12 ARG A 55 -9.615 -6.605 3.767 1.00 75.14 H new ATOM 0 HH21 ARG A 55 -8.194 -8.878 1.480 1.00 21.53 H new ATOM 0 HH22 ARG A 55 -9.675 -8.080 2.020 1.00 21.53 H new ATOM 524 N GLU A 56 -0.884 -7.652 6.727 1.00 53.21 N ATOM 525 CA GLU A 56 -0.102 -7.361 7.952 1.00 52.43 C ATOM 526 C GLU A 56 1.363 -7.092 7.609 1.00 14.40 C ATOM 527 O GLU A 56 1.974 -6.139 8.107 1.00 31.10 O ATOM 528 CB GLU A 56 -0.212 -8.553 8.940 1.00 43.20 C ATOM 529 CG GLU A 56 -1.609 -8.741 9.562 1.00 44.34 C ATOM 530 CD GLU A 56 -2.051 -7.542 10.416 1.00 33.14 C ATOM 531 OE1 GLU A 56 -1.739 -7.520 11.630 1.00 61.12 O ATOM 532 OE2 GLU A 56 -2.707 -6.614 9.883 1.00 32.11 O ATOM 0 H GLU A 56 -1.323 -8.573 6.737 1.00 53.21 H new ATOM 0 HA GLU A 56 -0.510 -6.466 8.422 1.00 52.43 H new ATOM 0 HB2 GLU A 56 0.065 -9.468 8.417 1.00 43.20 H new ATOM 0 HB3 GLU A 56 0.513 -8.412 9.742 1.00 43.20 H new ATOM 0 HG2 GLU A 56 -2.337 -8.902 8.766 1.00 44.34 H new ATOM 0 HG3 GLU A 56 -1.608 -9.639 10.179 1.00 44.34 H new ATOM 539 N ASP A 57 1.887 -7.941 6.718 1.00 0.11 N ATOM 540 CA ASP A 57 3.252 -7.830 6.195 1.00 62.31 C ATOM 541 C ASP A 57 3.428 -6.519 5.401 1.00 22.02 C ATOM 542 O ASP A 57 4.397 -5.774 5.609 1.00 2.14 O ATOM 543 CB ASP A 57 3.543 -9.048 5.291 1.00 62.25 C ATOM 544 CG ASP A 57 4.964 -9.047 4.723 1.00 72.21 C ATOM 545 OD1 ASP A 57 5.901 -9.437 5.452 1.00 21.43 O ATOM 546 OD2 ASP A 57 5.155 -8.642 3.554 1.00 62.43 O ATOM 0 H ASP A 57 1.369 -8.733 6.336 1.00 0.11 H new ATOM 0 HA ASP A 57 3.956 -7.814 7.027 1.00 62.31 H new ATOM 0 HB2 ASP A 57 3.387 -9.963 5.863 1.00 62.25 H new ATOM 0 HB3 ASP A 57 2.829 -9.061 4.468 1.00 62.25 H new ATOM 551 N LEU A 58 2.452 -6.255 4.515 1.00 20.21 N ATOM 552 CA LEU A 58 2.435 -5.064 3.651 1.00 2.43 C ATOM 553 C LEU A 58 2.344 -3.757 4.481 1.00 5.14 C ATOM 554 O LEU A 58 3.052 -2.799 4.191 1.00 33.02 O ATOM 555 CB LEU A 58 1.265 -5.160 2.632 1.00 33.35 C ATOM 556 CG LEU A 58 1.362 -6.296 1.558 1.00 52.41 C ATOM 557 CD1 LEU A 58 0.081 -6.382 0.705 1.00 23.11 C ATOM 558 CD2 LEU A 58 2.611 -6.142 0.658 1.00 42.14 C ATOM 0 H LEU A 58 1.648 -6.867 4.378 1.00 20.21 H new ATOM 0 HA LEU A 58 3.376 -5.031 3.102 1.00 2.43 H new ATOM 0 HB2 LEU A 58 0.338 -5.296 3.189 1.00 33.35 H new ATOM 0 HB3 LEU A 58 1.187 -4.205 2.112 1.00 33.35 H new ATOM 0 HG LEU A 58 1.466 -7.233 2.105 1.00 52.41 H new ATOM 0 HD11 LEU A 58 0.186 -7.181 -0.029 1.00 23.11 H new ATOM 0 HD12 LEU A 58 -0.772 -6.591 1.350 1.00 23.11 H new ATOM 0 HD13 LEU A 58 -0.077 -5.435 0.190 1.00 23.11 H new ATOM 0 HD21 LEU A 58 2.636 -6.952 -0.071 1.00 42.14 H new ATOM 0 HD22 LEU A 58 2.568 -5.186 0.137 1.00 42.14 H new ATOM 0 HD23 LEU A 58 3.510 -6.180 1.273 1.00 42.14 H new ATOM 570 N ILE A 59 1.498 -3.758 5.535 1.00 1.32 N ATOM 571 CA ILE A 59 1.333 -2.614 6.468 1.00 62.22 C ATOM 572 C ILE A 59 2.659 -2.340 7.188 1.00 64.30 C ATOM 573 O ILE A 59 3.161 -1.220 7.151 1.00 55.13 O ATOM 574 CB ILE A 59 0.192 -2.889 7.533 1.00 51.32 C ATOM 575 CG1 ILE A 59 -1.208 -2.952 6.845 1.00 51.13 C ATOM 576 CG2 ILE A 59 0.193 -1.839 8.682 1.00 40.22 C ATOM 577 CD1 ILE A 59 -2.340 -3.478 7.725 1.00 42.03 C ATOM 0 H ILE A 59 0.906 -4.556 5.766 1.00 1.32 H new ATOM 0 HA ILE A 59 1.041 -1.742 5.883 1.00 62.22 H new ATOM 0 HB ILE A 59 0.404 -3.859 7.983 1.00 51.32 H new ATOM 0 HG12 ILE A 59 -1.471 -1.952 6.500 1.00 51.13 H new ATOM 0 HG13 ILE A 59 -1.133 -3.584 5.960 1.00 51.13 H new ATOM 0 HG21 ILE A 59 -0.606 -2.070 9.386 1.00 40.22 H new ATOM 0 HG22 ILE A 59 1.152 -1.867 9.199 1.00 40.22 H new ATOM 0 HG23 ILE A 59 0.034 -0.844 8.266 1.00 40.22 H new ATOM 0 HD11 ILE A 59 -3.270 -3.483 7.157 1.00 42.03 H new ATOM 0 HD12 ILE A 59 -2.107 -4.492 8.049 1.00 42.03 H new ATOM 0 HD13 ILE A 59 -2.451 -2.835 8.598 1.00 42.03 H new ATOM 589 N LYS A 60 3.218 -3.405 7.793 1.00 35.44 N ATOM 590 CA LYS A 60 4.488 -3.360 8.542 1.00 13.44 C ATOM 591 C LYS A 60 5.620 -2.721 7.716 1.00 54.33 C ATOM 592 O LYS A 60 6.176 -1.679 8.092 1.00 73.41 O ATOM 593 CB LYS A 60 4.865 -4.814 8.951 1.00 71.43 C ATOM 594 CG LYS A 60 6.284 -5.007 9.534 1.00 33.44 C ATOM 595 CD LYS A 60 6.568 -6.466 9.953 1.00 4.30 C ATOM 596 CE LYS A 60 6.411 -7.475 8.798 1.00 23.14 C ATOM 597 NZ LYS A 60 6.647 -8.868 9.246 1.00 11.02 N ATOM 0 H LYS A 60 2.795 -4.333 7.775 1.00 35.44 H new ATOM 0 HA LYS A 60 4.356 -2.737 9.427 1.00 13.44 H new ATOM 0 HB2 LYS A 60 4.141 -5.163 9.687 1.00 71.43 H new ATOM 0 HB3 LYS A 60 4.763 -5.455 8.075 1.00 71.43 H new ATOM 0 HG2 LYS A 60 7.021 -4.697 8.793 1.00 33.44 H new ATOM 0 HG3 LYS A 60 6.408 -4.355 10.399 1.00 33.44 H new ATOM 0 HD2 LYS A 60 7.582 -6.532 10.348 1.00 4.30 H new ATOM 0 HD3 LYS A 60 5.892 -6.742 10.762 1.00 4.30 H new ATOM 0 HE2 LYS A 60 5.408 -7.393 8.378 1.00 23.14 H new ATOM 0 HE3 LYS A 60 7.111 -7.226 8.001 1.00 23.14 H new ATOM 0 HZ1 LYS A 60 6.532 -9.516 8.441 1.00 11.02 H new ATOM 0 HZ2 LYS A 60 7.612 -8.952 9.623 1.00 11.02 H new ATOM 0 HZ3 LYS A 60 5.962 -9.114 9.989 1.00 11.02 H new ATOM 611 N LYS A 61 5.884 -3.326 6.555 1.00 63.03 N ATOM 612 CA LYS A 61 7.020 -2.962 5.701 1.00 54.40 C ATOM 613 C LYS A 61 6.831 -1.587 5.040 1.00 52.41 C ATOM 614 O LYS A 61 7.771 -0.777 5.024 1.00 4.13 O ATOM 615 CB LYS A 61 7.251 -4.097 4.673 1.00 45.42 C ATOM 616 CG LYS A 61 7.857 -5.374 5.313 1.00 25.12 C ATOM 617 CD LYS A 61 7.621 -6.657 4.504 1.00 43.55 C ATOM 618 CE LYS A 61 8.107 -6.590 3.054 1.00 13.24 C ATOM 619 NZ LYS A 61 7.833 -7.856 2.336 1.00 35.44 N ATOM 0 H LYS A 61 5.315 -4.084 6.179 1.00 63.03 H new ATOM 0 HA LYS A 61 7.916 -2.858 6.314 1.00 54.40 H new ATOM 0 HB2 LYS A 61 6.303 -4.349 4.198 1.00 45.42 H new ATOM 0 HB3 LYS A 61 7.916 -3.739 3.887 1.00 45.42 H new ATOM 0 HG2 LYS A 61 8.930 -5.229 5.439 1.00 25.12 H new ATOM 0 HG3 LYS A 61 7.434 -5.503 6.309 1.00 25.12 H new ATOM 0 HD2 LYS A 61 8.123 -7.485 5.005 1.00 43.55 H new ATOM 0 HD3 LYS A 61 6.555 -6.882 4.507 1.00 43.55 H new ATOM 0 HE2 LYS A 61 7.614 -5.764 2.541 1.00 13.24 H new ATOM 0 HE3 LYS A 61 9.177 -6.383 3.036 1.00 13.24 H new ATOM 0 HZ1 LYS A 61 8.602 -8.046 1.662 1.00 35.44 H new ATOM 0 HZ2 LYS A 61 7.771 -8.637 3.020 1.00 35.44 H new ATOM 0 HZ3 LYS A 61 6.933 -7.775 1.821 1.00 35.44 H new ATOM 633 N ALA A 62 5.602 -1.305 4.554 1.00 30.33 N ATOM 634 CA ALA A 62 5.265 0.005 3.956 1.00 4.01 C ATOM 635 C ALA A 62 5.407 1.130 4.983 1.00 62.41 C ATOM 636 O ALA A 62 5.892 2.209 4.660 1.00 13.21 O ATOM 637 CB ALA A 62 3.845 0.009 3.388 1.00 54.42 C ATOM 0 H ALA A 62 4.827 -1.968 4.564 1.00 30.33 H new ATOM 0 HA ALA A 62 5.968 0.176 3.141 1.00 4.01 H new ATOM 0 HB1 ALA A 62 3.629 0.986 2.956 1.00 54.42 H new ATOM 0 HB2 ALA A 62 3.760 -0.756 2.616 1.00 54.42 H new ATOM 0 HB3 ALA A 62 3.133 -0.200 4.186 1.00 54.42 H new ATOM 643 N ASP A 63 5.003 0.846 6.230 1.00 12.14 N ATOM 644 CA ASP A 63 5.080 1.819 7.328 1.00 63.32 C ATOM 645 C ASP A 63 6.545 2.106 7.672 1.00 53.33 C ATOM 646 O ASP A 63 6.914 3.253 7.891 1.00 55.30 O ATOM 647 CB ASP A 63 4.309 1.311 8.569 1.00 51.50 C ATOM 648 CG ASP A 63 4.010 2.423 9.578 1.00 13.33 C ATOM 649 OD1 ASP A 63 3.064 3.210 9.335 1.00 51.03 O ATOM 650 OD2 ASP A 63 4.702 2.521 10.610 1.00 12.23 O ATOM 0 H ASP A 63 4.617 -0.057 6.504 1.00 12.14 H new ATOM 0 HA ASP A 63 4.611 2.748 7.005 1.00 63.32 H new ATOM 0 HB2 ASP A 63 3.372 0.856 8.248 1.00 51.50 H new ATOM 0 HB3 ASP A 63 4.891 0.530 9.058 1.00 51.50 H new ATOM 655 N GLU A 64 7.379 1.052 7.661 1.00 72.44 N ATOM 656 CA GLU A 64 8.839 1.188 7.839 1.00 75.14 C ATOM 657 C GLU A 64 9.486 1.968 6.663 1.00 12.24 C ATOM 658 O GLU A 64 10.550 2.564 6.837 1.00 12.03 O ATOM 659 CB GLU A 64 9.487 -0.209 8.000 1.00 4.43 C ATOM 660 CG GLU A 64 9.050 -0.987 9.261 1.00 15.14 C ATOM 661 CD GLU A 64 9.498 -0.323 10.577 1.00 11.43 C ATOM 662 OE1 GLU A 64 10.718 -0.324 10.865 1.00 40.23 O ATOM 663 OE2 GLU A 64 8.644 0.189 11.337 1.00 32.32 O ATOM 0 H GLU A 64 7.066 0.090 7.530 1.00 72.44 H new ATOM 0 HA GLU A 64 9.019 1.765 8.746 1.00 75.14 H new ATOM 0 HB2 GLU A 64 9.249 -0.808 7.121 1.00 4.43 H new ATOM 0 HB3 GLU A 64 10.570 -0.091 8.021 1.00 4.43 H new ATOM 0 HG2 GLU A 64 7.964 -1.082 9.262 1.00 15.14 H new ATOM 0 HG3 GLU A 64 9.458 -1.997 9.215 1.00 15.14 H new ATOM 670 N LYS A 65 8.851 1.942 5.463 1.00 11.21 N ATOM 671 CA LYS A 65 9.253 2.823 4.328 1.00 45.13 C ATOM 672 C LYS A 65 8.747 4.274 4.533 1.00 52.12 C ATOM 673 O LYS A 65 9.230 5.201 3.874 1.00 22.13 O ATOM 674 CB LYS A 65 8.716 2.284 2.973 1.00 1.34 C ATOM 675 CG LYS A 65 9.113 0.833 2.633 1.00 33.44 C ATOM 676 CD LYS A 65 10.644 0.614 2.570 1.00 12.31 C ATOM 677 CE LYS A 65 11.011 -0.846 2.260 1.00 50.34 C ATOM 678 NZ LYS A 65 12.477 -1.073 2.251 1.00 2.50 N ATOM 0 H LYS A 65 8.065 1.327 5.254 1.00 11.21 H new ATOM 0 HA LYS A 65 10.343 2.825 4.304 1.00 45.13 H new ATOM 0 HB2 LYS A 65 7.628 2.353 2.980 1.00 1.34 H new ATOM 0 HB3 LYS A 65 9.072 2.936 2.175 1.00 1.34 H new ATOM 0 HG2 LYS A 65 8.688 0.163 3.380 1.00 33.44 H new ATOM 0 HG3 LYS A 65 8.674 0.559 1.673 1.00 33.44 H new ATOM 0 HD2 LYS A 65 11.071 1.264 1.806 1.00 12.31 H new ATOM 0 HD3 LYS A 65 11.090 0.905 3.521 1.00 12.31 H new ATOM 0 HE2 LYS A 65 10.550 -1.499 3.001 1.00 50.34 H new ATOM 0 HE3 LYS A 65 10.598 -1.123 1.290 1.00 50.34 H new ATOM 0 HZ1 LYS A 65 12.672 -2.072 2.037 1.00 2.50 H new ATOM 0 HZ2 LYS A 65 12.917 -0.471 1.526 1.00 2.50 H new ATOM 0 HZ3 LYS A 65 12.871 -0.835 3.184 1.00 2.50 H new ATOM 692 N GLY A 66 7.770 4.450 5.442 1.00 41.24 N ATOM 693 CA GLY A 66 7.170 5.761 5.721 1.00 14.23 C ATOM 694 C GLY A 66 5.873 6.009 4.949 1.00 44.31 C ATOM 695 O GLY A 66 5.324 7.111 5.007 1.00 22.45 O ATOM 0 H GLY A 66 7.379 3.690 5.999 1.00 41.24 H new ATOM 0 HA2 GLY A 66 6.970 5.841 6.789 1.00 14.23 H new ATOM 0 HA3 GLY A 66 7.888 6.542 5.472 1.00 14.23 H new ATOM 699 N ALA A 67 5.379 4.983 4.235 1.00 22.02 N ATOM 700 CA ALA A 67 4.137 5.070 3.438 1.00 41.25 C ATOM 701 C ALA A 67 2.890 5.221 4.329 1.00 53.21 C ATOM 702 O ALA A 67 2.806 4.623 5.415 1.00 3.15 O ATOM 703 CB ALA A 67 3.990 3.840 2.538 1.00 3.14 C ATOM 0 H ALA A 67 5.828 4.068 4.192 1.00 22.02 H new ATOM 0 HA ALA A 67 4.214 5.963 2.818 1.00 41.25 H new ATOM 0 HB1 ALA A 67 3.070 3.921 1.959 1.00 3.14 H new ATOM 0 HB2 ALA A 67 4.842 3.781 1.860 1.00 3.14 H new ATOM 0 HB3 ALA A 67 3.953 2.941 3.153 1.00 3.14 H new ATOM 709 N ASP A 68 1.940 6.033 3.850 1.00 11.50 N ATOM 710 CA ASP A 68 0.647 6.260 4.509 1.00 34.33 C ATOM 711 C ASP A 68 -0.391 5.264 4.010 1.00 22.32 C ATOM 712 O ASP A 68 -1.202 4.769 4.796 1.00 64.13 O ATOM 713 CB ASP A 68 0.158 7.698 4.246 1.00 33.21 C ATOM 714 CG ASP A 68 1.084 8.741 4.868 1.00 43.01 C ATOM 715 OD1 ASP A 68 2.115 9.066 4.244 1.00 34.25 O ATOM 716 OD2 ASP A 68 0.810 9.218 5.993 1.00 21.34 O ATOM 0 H ASP A 68 2.049 6.558 2.982 1.00 11.50 H new ATOM 0 HA ASP A 68 0.781 6.119 5.581 1.00 34.33 H new ATOM 0 HB2 ASP A 68 0.092 7.867 3.171 1.00 33.21 H new ATOM 0 HB3 ASP A 68 -0.847 7.819 4.650 1.00 33.21 H new ATOM 721 N VAL A 69 -0.380 4.975 2.693 1.00 3.41 N ATOM 722 CA VAL A 69 -1.351 4.042 2.085 1.00 2.11 C ATOM 723 C VAL A 69 -0.623 2.910 1.338 1.00 34.43 C ATOM 724 O VAL A 69 0.323 3.152 0.582 1.00 33.03 O ATOM 725 CB VAL A 69 -2.355 4.782 1.115 1.00 52.22 C ATOM 726 CG1 VAL A 69 -3.353 3.792 0.456 1.00 55.42 C ATOM 727 CG2 VAL A 69 -3.124 5.905 1.859 1.00 0.31 C ATOM 0 H VAL A 69 0.288 5.372 2.032 1.00 3.41 H new ATOM 0 HA VAL A 69 -1.936 3.611 2.898 1.00 2.11 H new ATOM 0 HB VAL A 69 -1.759 5.235 0.322 1.00 52.22 H new ATOM 0 HG11 VAL A 69 -4.026 4.339 -0.204 1.00 55.42 H new ATOM 0 HG12 VAL A 69 -2.802 3.051 -0.122 1.00 55.42 H new ATOM 0 HG13 VAL A 69 -3.933 3.290 1.231 1.00 55.42 H new ATOM 0 HG21 VAL A 69 -3.808 6.397 1.168 1.00 0.31 H new ATOM 0 HG22 VAL A 69 -3.691 5.473 2.684 1.00 0.31 H new ATOM 0 HG23 VAL A 69 -2.415 6.635 2.249 1.00 0.31 H new ATOM 737 N VAL A 70 -1.083 1.678 1.600 1.00 14.15 N ATOM 738 CA VAL A 70 -0.650 0.454 0.921 1.00 12.21 C ATOM 739 C VAL A 70 -1.741 0.077 -0.101 1.00 13.53 C ATOM 740 O VAL A 70 -2.845 -0.332 0.283 1.00 1.30 O ATOM 741 CB VAL A 70 -0.468 -0.732 1.940 1.00 5.41 C ATOM 742 CG1 VAL A 70 0.267 -1.921 1.289 1.00 71.42 C ATOM 743 CG2 VAL A 70 0.236 -0.279 3.233 1.00 41.04 C ATOM 0 H VAL A 70 -1.790 1.503 2.314 1.00 14.15 H new ATOM 0 HA VAL A 70 0.310 0.630 0.436 1.00 12.21 H new ATOM 0 HB VAL A 70 -1.466 -1.069 2.221 1.00 5.41 H new ATOM 0 HG11 VAL A 70 0.377 -2.724 2.018 1.00 71.42 H new ATOM 0 HG12 VAL A 70 -0.308 -2.282 0.436 1.00 71.42 H new ATOM 0 HG13 VAL A 70 1.252 -1.599 0.952 1.00 71.42 H new ATOM 0 HG21 VAL A 70 0.341 -1.129 3.907 1.00 41.04 H new ATOM 0 HG22 VAL A 70 1.223 0.116 2.991 1.00 41.04 H new ATOM 0 HG23 VAL A 70 -0.357 0.497 3.717 1.00 41.04 H new ATOM 753 N VAL A 71 -1.429 0.239 -1.384 1.00 72.31 N ATOM 754 CA VAL A 71 -2.408 0.120 -2.476 1.00 33.30 C ATOM 755 C VAL A 71 -2.324 -1.269 -3.117 1.00 25.23 C ATOM 756 O VAL A 71 -1.359 -1.550 -3.845 1.00 44.21 O ATOM 757 CB VAL A 71 -2.141 1.234 -3.547 1.00 24.00 C ATOM 758 CG1 VAL A 71 -3.171 1.204 -4.695 1.00 61.23 C ATOM 759 CG2 VAL A 71 -2.086 2.621 -2.868 1.00 3.24 C ATOM 0 H VAL A 71 -0.486 0.458 -1.704 1.00 72.31 H new ATOM 0 HA VAL A 71 -3.412 0.250 -2.071 1.00 33.30 H new ATOM 0 HB VAL A 71 -1.172 1.031 -4.004 1.00 24.00 H new ATOM 0 HG11 VAL A 71 -2.942 1.994 -5.410 1.00 61.23 H new ATOM 0 HG12 VAL A 71 -3.128 0.237 -5.197 1.00 61.23 H new ATOM 0 HG13 VAL A 71 -4.171 1.359 -4.291 1.00 61.23 H new ATOM 0 HG21 VAL A 71 -1.900 3.387 -3.620 1.00 3.24 H new ATOM 0 HG22 VAL A 71 -3.036 2.822 -2.373 1.00 3.24 H new ATOM 0 HG23 VAL A 71 -1.283 2.634 -2.131 1.00 3.24 H new ATOM 769 N LEU A 72 -3.329 -2.128 -2.827 1.00 71.33 N ATOM 770 CA LEU A 72 -3.406 -3.496 -3.381 1.00 60.00 C ATOM 771 C LEU A 72 -3.559 -3.444 -4.914 1.00 62.50 C ATOM 772 O LEU A 72 -4.676 -3.341 -5.436 1.00 34.21 O ATOM 773 CB LEU A 72 -4.577 -4.313 -2.749 1.00 73.13 C ATOM 774 CG LEU A 72 -4.539 -4.520 -1.200 1.00 43.10 C ATOM 775 CD1 LEU A 72 -5.696 -5.432 -0.730 1.00 12.14 C ATOM 776 CD2 LEU A 72 -3.172 -5.071 -0.726 1.00 52.04 C ATOM 0 H LEU A 72 -4.103 -1.892 -2.206 1.00 71.33 H new ATOM 0 HA LEU A 72 -2.475 -4.005 -3.130 1.00 60.00 H new ATOM 0 HB2 LEU A 72 -5.513 -3.815 -3.002 1.00 73.13 H new ATOM 0 HB3 LEU A 72 -4.600 -5.295 -3.222 1.00 73.13 H new ATOM 0 HG LEU A 72 -4.672 -3.540 -0.741 1.00 43.10 H new ATOM 0 HD11 LEU A 72 -5.644 -5.558 0.351 1.00 12.14 H new ATOM 0 HD12 LEU A 72 -6.650 -4.976 -0.997 1.00 12.14 H new ATOM 0 HD13 LEU A 72 -5.611 -6.405 -1.213 1.00 12.14 H new ATOM 0 HD21 LEU A 72 -3.187 -5.201 0.356 1.00 52.04 H new ATOM 0 HD22 LEU A 72 -2.982 -6.032 -1.204 1.00 52.04 H new ATOM 0 HD23 LEU A 72 -2.383 -4.369 -0.996 1.00 52.04 H new ATOM 788 N THR A 73 -2.413 -3.462 -5.616 1.00 0.42 N ATOM 789 CA THR A 73 -2.359 -3.479 -7.085 1.00 54.22 C ATOM 790 C THR A 73 -2.475 -4.923 -7.614 1.00 73.20 C ATOM 791 O THR A 73 -2.724 -5.148 -8.807 1.00 24.23 O ATOM 792 CB THR A 73 -1.056 -2.781 -7.590 1.00 23.05 C ATOM 793 OG1 THR A 73 0.096 -3.348 -6.924 1.00 55.20 O ATOM 794 CG2 THR A 73 -1.121 -1.260 -7.335 1.00 40.53 C ATOM 0 H THR A 73 -1.493 -3.465 -5.176 1.00 0.42 H new ATOM 0 HA THR A 73 -3.207 -2.918 -7.476 1.00 54.22 H new ATOM 0 HB THR A 73 -0.966 -2.947 -8.664 1.00 23.05 H new ATOM 0 HG1 THR A 73 0.834 -2.703 -6.940 1.00 55.20 H new ATOM 0 HG21 THR A 73 -0.204 -0.791 -7.694 1.00 40.53 H new ATOM 0 HG22 THR A 73 -1.975 -0.838 -7.865 1.00 40.53 H new ATOM 0 HG23 THR A 73 -1.229 -1.075 -6.266 1.00 40.53 H new ATOM 802 N SER A 74 -2.244 -5.893 -6.711 1.00 35.01 N ATOM 803 CA SER A 74 -2.673 -7.286 -6.890 1.00 35.41 C ATOM 804 C SER A 74 -4.089 -7.445 -6.303 1.00 13.34 C ATOM 805 O SER A 74 -4.466 -6.710 -5.370 1.00 44.43 O ATOM 806 CB SER A 74 -1.687 -8.250 -6.182 1.00 71.43 C ATOM 807 OG SER A 74 -1.575 -7.971 -4.790 1.00 30.52 O ATOM 0 H SER A 74 -1.752 -5.728 -5.833 1.00 35.01 H new ATOM 0 HA SER A 74 -2.683 -7.533 -7.952 1.00 35.41 H new ATOM 0 HB2 SER A 74 -2.023 -9.278 -6.320 1.00 71.43 H new ATOM 0 HB3 SER A 74 -0.705 -8.170 -6.648 1.00 71.43 H new ATOM 0 HG SER A 74 -1.118 -7.114 -4.664 1.00 30.52 H new ATOM 813 N GLY A 75 -4.865 -8.393 -6.844 1.00 41.13 N ATOM 814 CA GLY A 75 -6.212 -8.673 -6.338 1.00 34.15 C ATOM 815 C GLY A 75 -6.218 -9.267 -4.932 1.00 74.04 C ATOM 816 O GLY A 75 -7.191 -9.086 -4.181 1.00 72.55 O ATOM 0 H GLY A 75 -4.582 -8.977 -7.631 1.00 41.13 H new ATOM 0 HA2 GLY A 75 -6.791 -7.750 -6.337 1.00 34.15 H new ATOM 0 HA3 GLY A 75 -6.712 -9.362 -7.018 1.00 34.15 H new ATOM 820 N GLN A 76 -5.117 -9.981 -4.603 1.00 75.12 N ATOM 821 CA GLN A 76 -4.917 -10.683 -3.316 1.00 64.33 C ATOM 822 C GLN A 76 -6.051 -11.725 -3.107 1.00 42.00 C ATOM 823 O GLN A 76 -6.487 -12.006 -1.984 1.00 71.31 O ATOM 824 CB GLN A 76 -4.789 -9.645 -2.160 1.00 74.35 C ATOM 825 CG GLN A 76 -4.248 -10.204 -0.828 1.00 51.20 C ATOM 826 CD GLN A 76 -4.080 -9.133 0.240 1.00 72.51 C ATOM 827 OE1 GLN A 76 -5.010 -8.836 0.979 1.00 71.22 O ATOM 828 NE2 GLN A 76 -2.896 -8.540 0.328 1.00 22.25 N ATOM 0 H GLN A 76 -4.327 -10.087 -5.239 1.00 75.12 H new ATOM 0 HA GLN A 76 -3.982 -11.244 -3.323 1.00 64.33 H new ATOM 0 HB2 GLN A 76 -4.134 -8.838 -2.489 1.00 74.35 H new ATOM 0 HB3 GLN A 76 -5.770 -9.205 -1.979 1.00 74.35 H new ATOM 0 HG2 GLN A 76 -4.927 -10.973 -0.460 1.00 51.20 H new ATOM 0 HG3 GLN A 76 -3.287 -10.686 -1.006 1.00 51.20 H new ATOM 0 HE21 GLN A 76 -2.142 -8.811 -0.303 1.00 22.25 H new ATOM 0 HE22 GLN A 76 -2.740 -7.813 1.027 1.00 22.25 H new ATOM 837 N THR A 77 -6.465 -12.340 -4.240 1.00 4.00 N ATOM 838 CA THR A 77 -7.599 -13.288 -4.311 1.00 51.44 C ATOM 839 C THR A 77 -7.158 -14.746 -3.993 1.00 33.41 C ATOM 840 O THR A 77 -7.861 -15.711 -4.326 1.00 33.03 O ATOM 841 CB THR A 77 -8.282 -13.186 -5.725 1.00 32.01 C ATOM 842 OG1 THR A 77 -9.529 -13.901 -5.751 1.00 73.13 O ATOM 843 CG2 THR A 77 -7.375 -13.696 -6.867 1.00 12.21 C ATOM 0 H THR A 77 -6.014 -12.189 -5.142 1.00 4.00 H new ATOM 0 HA THR A 77 -8.327 -13.014 -3.547 1.00 51.44 H new ATOM 0 HB THR A 77 -8.465 -12.125 -5.893 1.00 32.01 H new ATOM 0 HG1 THR A 77 -9.428 -14.752 -5.275 1.00 73.13 H new ATOM 0 HG21 THR A 77 -7.899 -13.601 -7.818 1.00 12.21 H new ATOM 0 HG22 THR A 77 -6.460 -13.105 -6.897 1.00 12.21 H new ATOM 0 HG23 THR A 77 -7.125 -14.743 -6.693 1.00 12.21 H new ATOM 851 N GLU A 78 -5.967 -14.866 -3.359 1.00 12.33 N ATOM 852 CA GLU A 78 -5.407 -16.123 -2.775 1.00 20.45 C ATOM 853 C GLU A 78 -4.837 -17.092 -3.829 1.00 60.43 C ATOM 854 O GLU A 78 -4.121 -18.031 -3.473 1.00 13.03 O ATOM 855 CB GLU A 78 -6.444 -16.851 -1.875 1.00 22.55 C ATOM 856 CG GLU A 78 -6.954 -16.021 -0.688 1.00 75.10 C ATOM 857 CD GLU A 78 -8.107 -16.693 0.073 1.00 31.22 C ATOM 858 OE1 GLU A 78 -7.833 -17.540 0.948 1.00 34.15 O ATOM 859 OE2 GLU A 78 -9.288 -16.385 -0.206 1.00 44.02 O ATOM 0 H GLU A 78 -5.344 -14.068 -3.232 1.00 12.33 H new ATOM 0 HA GLU A 78 -4.568 -15.803 -2.157 1.00 20.45 H new ATOM 0 HB2 GLU A 78 -7.296 -17.145 -2.489 1.00 22.55 H new ATOM 0 HB3 GLU A 78 -5.995 -17.768 -1.494 1.00 22.55 H new ATOM 0 HG2 GLU A 78 -6.129 -15.841 0.001 1.00 75.10 H new ATOM 0 HG3 GLU A 78 -7.285 -15.048 -1.050 1.00 75.10 H new ATOM 866 N ASN A 79 -5.133 -16.853 -5.116 1.00 43.24 N ATOM 867 CA ASN A 79 -4.734 -17.747 -6.207 1.00 12.32 C ATOM 868 C ASN A 79 -3.269 -17.501 -6.587 1.00 5.22 C ATOM 869 O ASN A 79 -2.983 -16.708 -7.484 1.00 14.32 O ATOM 870 CB ASN A 79 -5.679 -17.573 -7.425 1.00 55.20 C ATOM 871 CG ASN A 79 -7.145 -17.882 -7.116 1.00 32.32 C ATOM 872 OD1 ASN A 79 -8.048 -17.269 -7.675 1.00 70.02 O ATOM 873 ND2 ASN A 79 -7.404 -18.853 -6.251 1.00 52.51 N ATOM 0 H ASN A 79 -5.656 -16.034 -5.426 1.00 43.24 H new ATOM 0 HA ASN A 79 -4.821 -18.780 -5.869 1.00 12.32 H new ATOM 0 HB2 ASN A 79 -5.602 -16.549 -7.790 1.00 55.20 H new ATOM 0 HB3 ASN A 79 -5.342 -18.225 -8.231 1.00 55.20 H new ATOM 0 HD21 ASN A 79 -8.370 -19.103 -6.039 1.00 52.51 H new ATOM 0 HD22 ASN A 79 -6.637 -19.350 -5.797 1.00 52.51 H new ATOM 880 N LYS A 80 -2.357 -18.172 -5.840 1.00 60.20 N ATOM 881 CA LYS A 80 -0.899 -18.111 -6.039 1.00 2.30 C ATOM 882 C LYS A 80 -0.407 -16.653 -6.028 1.00 75.24 C ATOM 883 O LYS A 80 0.094 -16.133 -7.034 1.00 33.04 O ATOM 884 CB LYS A 80 -0.446 -18.903 -7.313 1.00 55.23 C ATOM 885 CG LYS A 80 -0.740 -20.434 -7.271 1.00 3.11 C ATOM 886 CD LYS A 80 -2.231 -20.789 -7.535 1.00 0.31 C ATOM 887 CE LYS A 80 -2.585 -22.247 -7.191 1.00 54.34 C ATOM 888 NZ LYS A 80 -1.818 -23.239 -7.988 1.00 51.22 N ATOM 0 H LYS A 80 -2.627 -18.782 -5.068 1.00 60.20 H new ATOM 0 HA LYS A 80 -0.421 -18.613 -5.198 1.00 2.30 H new ATOM 0 HB2 LYS A 80 -0.942 -18.476 -8.184 1.00 55.23 H new ATOM 0 HB3 LYS A 80 0.625 -18.757 -7.453 1.00 55.23 H new ATOM 0 HG2 LYS A 80 -0.119 -20.935 -8.013 1.00 3.11 H new ATOM 0 HG3 LYS A 80 -0.449 -20.825 -6.296 1.00 3.11 H new ATOM 0 HD2 LYS A 80 -2.864 -20.122 -6.950 1.00 0.31 H new ATOM 0 HD3 LYS A 80 -2.459 -20.606 -8.585 1.00 0.31 H new ATOM 0 HE2 LYS A 80 -2.398 -22.419 -6.131 1.00 54.34 H new ATOM 0 HE3 LYS A 80 -3.651 -22.404 -7.356 1.00 54.34 H new ATOM 0 HZ1 LYS A 80 -2.101 -24.201 -7.711 1.00 51.22 H new ATOM 0 HZ2 LYS A 80 -2.015 -23.098 -8.999 1.00 51.22 H new ATOM 0 HZ3 LYS A 80 -0.801 -23.113 -7.813 1.00 51.22 H new ATOM 902 N ILE A 81 -0.628 -15.990 -4.880 1.00 54.55 N ATOM 903 CA ILE A 81 -0.343 -14.557 -4.701 1.00 44.21 C ATOM 904 C ILE A 81 0.962 -14.360 -3.908 1.00 72.24 C ATOM 905 O ILE A 81 1.044 -14.705 -2.728 1.00 24.34 O ATOM 906 CB ILE A 81 -1.545 -13.795 -3.993 1.00 45.24 C ATOM 907 CG1 ILE A 81 -1.917 -14.418 -2.599 1.00 54.23 C ATOM 908 CG2 ILE A 81 -2.781 -13.771 -4.916 1.00 61.12 C ATOM 909 CD1 ILE A 81 -2.882 -13.593 -1.764 1.00 51.44 C ATOM 0 H ILE A 81 -1.011 -16.436 -4.046 1.00 54.55 H new ATOM 0 HA ILE A 81 -0.222 -14.124 -5.694 1.00 44.21 H new ATOM 0 HB ILE A 81 -1.211 -12.774 -3.807 1.00 45.24 H new ATOM 0 HG12 ILE A 81 -2.353 -15.403 -2.763 1.00 54.23 H new ATOM 0 HG13 ILE A 81 -1.001 -14.566 -2.028 1.00 54.23 H new ATOM 0 HG21 ILE A 81 -3.597 -13.246 -4.418 1.00 61.12 H new ATOM 0 HG22 ILE A 81 -2.532 -13.257 -5.844 1.00 61.12 H new ATOM 0 HG23 ILE A 81 -3.089 -14.793 -5.138 1.00 61.12 H new ATOM 0 HD11 ILE A 81 -3.077 -14.105 -0.822 1.00 51.44 H new ATOM 0 HD12 ILE A 81 -2.444 -12.615 -1.562 1.00 51.44 H new ATOM 0 HD13 ILE A 81 -3.818 -13.466 -2.309 1.00 51.44 H new ATOM 921 N HIS A 82 2.004 -13.811 -4.566 1.00 71.11 N ATOM 922 CA HIS A 82 3.220 -13.343 -3.854 1.00 63.14 C ATOM 923 C HIS A 82 2.935 -11.994 -3.160 1.00 34.13 C ATOM 924 O HIS A 82 3.778 -11.493 -2.411 1.00 45.43 O ATOM 925 CB HIS A 82 4.445 -13.227 -4.813 1.00 24.14 C ATOM 926 CG HIS A 82 4.349 -12.158 -5.881 1.00 72.33 C ATOM 927 ND1 HIS A 82 3.974 -12.422 -7.179 1.00 4.34 N ATOM 928 CD2 HIS A 82 4.599 -10.822 -5.838 1.00 73.13 C ATOM 929 CE1 HIS A 82 3.996 -11.305 -7.883 1.00 52.15 C ATOM 930 NE2 HIS A 82 4.372 -10.322 -7.093 1.00 43.54 N ATOM 0 H HIS A 82 2.032 -13.680 -5.577 1.00 71.11 H new ATOM 0 HA HIS A 82 3.476 -14.085 -3.098 1.00 63.14 H new ATOM 0 HB2 HIS A 82 5.335 -13.035 -4.213 1.00 24.14 H new ATOM 0 HB3 HIS A 82 4.592 -14.190 -5.302 1.00 24.14 H new ATOM 0 HD1 HIS A 82 3.718 -13.340 -7.542 1.00 4.34 H new ATOM 0 HD2 HIS A 82 4.918 -10.259 -4.973 1.00 73.13 H new ATOM 0 HE1 HIS A 82 3.747 -11.214 -8.930 1.00 52.15 H new ATOM 939 N GLY A 83 1.748 -11.406 -3.478 1.00 21.34 N ATOM 940 CA GLY A 83 1.293 -10.141 -2.909 1.00 44.52 C ATOM 941 C GLY A 83 2.059 -8.960 -3.476 1.00 21.22 C ATOM 942 O GLY A 83 3.281 -8.928 -3.388 1.00 51.42 O ATOM 0 H GLY A 83 1.089 -11.813 -4.142 1.00 21.34 H new ATOM 0 HA2 GLY A 83 0.229 -10.014 -3.109 1.00 44.52 H new ATOM 0 HA3 GLY A 83 1.413 -10.166 -1.826 1.00 44.52 H new ATOM 946 N THR A 84 1.363 -7.999 -4.092 1.00 13.12 N ATOM 947 CA THR A 84 2.000 -6.786 -4.631 1.00 21.34 C ATOM 948 C THR A 84 1.139 -5.564 -4.293 1.00 33.21 C ATOM 949 O THR A 84 -0.086 -5.575 -4.503 1.00 52.00 O ATOM 950 CB THR A 84 2.222 -6.876 -6.179 1.00 40.13 C ATOM 951 OG1 THR A 84 2.691 -8.184 -6.531 1.00 45.23 O ATOM 952 CG2 THR A 84 3.245 -5.825 -6.667 1.00 3.12 C ATOM 0 H THR A 84 0.353 -8.035 -4.232 1.00 13.12 H new ATOM 0 HA THR A 84 2.982 -6.689 -4.168 1.00 21.34 H new ATOM 0 HB THR A 84 1.265 -6.678 -6.661 1.00 40.13 H new ATOM 0 HG1 THR A 84 3.671 -8.186 -6.551 1.00 45.23 H new ATOM 0 HG21 THR A 84 3.374 -5.916 -7.745 1.00 3.12 H new ATOM 0 HG22 THR A 84 2.882 -4.825 -6.429 1.00 3.12 H new ATOM 0 HG23 THR A 84 4.202 -5.991 -6.172 1.00 3.12 H new ATOM 960 N ALA A 85 1.785 -4.527 -3.761 1.00 51.01 N ATOM 961 CA ALA A 85 1.115 -3.302 -3.343 1.00 21.32 C ATOM 962 C ALA A 85 2.030 -2.101 -3.572 1.00 34.55 C ATOM 963 O ALA A 85 3.182 -2.102 -3.132 1.00 11.13 O ATOM 964 CB ALA A 85 0.697 -3.408 -1.872 1.00 43.11 C ATOM 0 H ALA A 85 2.793 -4.516 -3.608 1.00 51.01 H new ATOM 0 HA ALA A 85 0.215 -3.161 -3.942 1.00 21.32 H new ATOM 0 HB1 ALA A 85 0.197 -2.488 -1.569 1.00 43.11 H new ATOM 0 HB2 ALA A 85 0.015 -4.249 -1.747 1.00 43.11 H new ATOM 0 HB3 ALA A 85 1.581 -3.562 -1.253 1.00 43.11 H new ATOM 970 N ASP A 86 1.506 -1.084 -4.261 1.00 3.20 N ATOM 971 CA ASP A 86 2.234 0.173 -4.507 1.00 73.44 C ATOM 972 C ASP A 86 2.042 1.073 -3.289 1.00 53.22 C ATOM 973 O ASP A 86 0.915 1.284 -2.839 1.00 12.42 O ATOM 974 CB ASP A 86 1.736 0.866 -5.809 1.00 64.21 C ATOM 975 CG ASP A 86 2.122 0.138 -7.114 1.00 3.03 C ATOM 976 OD1 ASP A 86 2.288 -1.104 -7.110 1.00 43.00 O ATOM 977 OD2 ASP A 86 2.234 0.802 -8.166 1.00 1.43 O ATOM 0 H ASP A 86 0.569 -1.104 -4.664 1.00 3.20 H new ATOM 0 HA ASP A 86 3.295 -0.032 -4.652 1.00 73.44 H new ATOM 0 HB2 ASP A 86 0.650 0.954 -5.765 1.00 64.21 H new ATOM 0 HB3 ASP A 86 2.137 1.879 -5.842 1.00 64.21 H new ATOM 982 N ILE A 87 3.142 1.570 -2.730 1.00 50.40 N ATOM 983 CA ILE A 87 3.110 2.335 -1.481 1.00 42.14 C ATOM 984 C ILE A 87 3.180 3.844 -1.771 1.00 33.23 C ATOM 985 O ILE A 87 3.988 4.311 -2.597 1.00 64.31 O ATOM 986 CB ILE A 87 4.245 1.860 -0.507 1.00 54.45 C ATOM 987 CG1 ILE A 87 5.661 2.047 -1.129 1.00 62.12 C ATOM 988 CG2 ILE A 87 4.006 0.384 -0.113 1.00 61.23 C ATOM 989 CD1 ILE A 87 6.823 1.673 -0.233 1.00 22.15 C ATOM 0 H ILE A 87 4.076 1.457 -3.124 1.00 50.40 H new ATOM 0 HA ILE A 87 2.162 2.148 -0.977 1.00 42.14 H new ATOM 0 HB ILE A 87 4.209 2.482 0.388 1.00 54.45 H new ATOM 0 HG12 ILE A 87 5.720 1.450 -2.039 1.00 62.12 H new ATOM 0 HG13 ILE A 87 5.774 3.090 -1.424 1.00 62.12 H new ATOM 0 HG21 ILE A 87 4.795 0.056 0.563 1.00 61.23 H new ATOM 0 HG22 ILE A 87 3.040 0.292 0.384 1.00 61.23 H new ATOM 0 HG23 ILE A 87 4.014 -0.237 -1.008 1.00 61.23 H new ATOM 0 HD11 ILE A 87 7.760 1.841 -0.763 1.00 22.15 H new ATOM 0 HD12 ILE A 87 6.800 2.287 0.667 1.00 22.15 H new ATOM 0 HD13 ILE A 87 6.746 0.621 0.043 1.00 22.15 H new ATOM 1001 N TYR A 88 2.306 4.596 -1.088 1.00 54.03 N ATOM 1002 CA TYR A 88 2.059 6.015 -1.361 1.00 73.23 C ATOM 1003 C TYR A 88 2.112 6.847 -0.070 1.00 33.51 C ATOM 1004 O TYR A 88 1.786 6.360 1.025 1.00 64.34 O ATOM 1005 CB TYR A 88 0.684 6.203 -2.053 1.00 63.35 C ATOM 1006 CG TYR A 88 0.640 5.874 -3.562 1.00 62.30 C ATOM 1007 CD1 TYR A 88 0.638 4.557 -4.024 1.00 71.32 C ATOM 1008 CD2 TYR A 88 0.554 6.891 -4.524 1.00 34.13 C ATOM 1009 CE1 TYR A 88 0.563 4.267 -5.371 1.00 32.43 C ATOM 1010 CE2 TYR A 88 0.471 6.603 -5.871 1.00 51.30 C ATOM 1011 CZ TYR A 88 0.472 5.290 -6.291 1.00 25.31 C ATOM 1012 OH TYR A 88 0.386 4.995 -7.635 1.00 43.40 O ATOM 0 H TYR A 88 1.744 4.229 -0.320 1.00 54.03 H new ATOM 0 HA TYR A 88 2.846 6.366 -2.029 1.00 73.23 H new ATOM 0 HB2 TYR A 88 -0.047 5.576 -1.542 1.00 63.35 H new ATOM 0 HB3 TYR A 88 0.368 7.237 -1.917 1.00 63.35 H new ATOM 0 HD1 TYR A 88 0.696 3.747 -3.312 1.00 71.32 H new ATOM 0 HD2 TYR A 88 0.553 7.922 -4.203 1.00 34.13 H new ATOM 0 HE1 TYR A 88 0.576 3.240 -5.704 1.00 32.43 H new ATOM 0 HE2 TYR A 88 0.406 7.403 -6.593 1.00 51.30 H new ATOM 0 HH TYR A 88 0.327 5.827 -8.149 1.00 43.40 H new ATOM 1022 N LYS A 89 2.457 8.124 -0.263 1.00 22.23 N ATOM 1023 CA LYS A 89 2.703 9.113 0.786 1.00 31.54 C ATOM 1024 C LYS A 89 1.610 10.193 0.713 1.00 35.42 C ATOM 1025 O LYS A 89 1.368 10.732 -0.374 1.00 52.13 O ATOM 1026 CB LYS A 89 4.087 9.765 0.519 1.00 64.41 C ATOM 1027 CG LYS A 89 4.685 10.576 1.679 1.00 0.42 C ATOM 1028 CD LYS A 89 5.143 9.676 2.845 1.00 11.53 C ATOM 1029 CE LYS A 89 5.850 10.469 3.949 1.00 21.34 C ATOM 1030 NZ LYS A 89 6.373 9.602 5.031 1.00 13.01 N ATOM 0 H LYS A 89 2.577 8.512 -1.199 1.00 22.23 H new ATOM 0 HA LYS A 89 2.690 8.645 1.770 1.00 31.54 H new ATOM 0 HB2 LYS A 89 4.792 8.978 0.251 1.00 64.41 H new ATOM 0 HB3 LYS A 89 3.997 10.420 -0.347 1.00 64.41 H new ATOM 0 HG2 LYS A 89 5.533 11.156 1.315 1.00 0.42 H new ATOM 0 HG3 LYS A 89 3.944 11.288 2.042 1.00 0.42 H new ATOM 0 HD2 LYS A 89 4.278 9.163 3.266 1.00 11.53 H new ATOM 0 HD3 LYS A 89 5.816 8.907 2.465 1.00 11.53 H new ATOM 0 HE2 LYS A 89 6.673 11.036 3.513 1.00 21.34 H new ATOM 0 HE3 LYS A 89 5.154 11.193 4.373 1.00 21.34 H new ATOM 0 HZ1 LYS A 89 6.466 10.156 5.906 1.00 13.01 H new ATOM 0 HZ2 LYS A 89 5.717 8.811 5.190 1.00 13.01 H new ATOM 0 HZ3 LYS A 89 7.304 9.229 4.757 1.00 13.01 H new ATOM 1044 N LYS A 90 0.974 10.516 1.852 1.00 25.21 N ATOM 1045 CA LYS A 90 -0.096 11.533 1.906 1.00 45.10 C ATOM 1046 C LYS A 90 0.492 12.952 1.808 1.00 34.51 C ATOM 1047 O LYS A 90 1.316 13.349 2.638 1.00 42.54 O ATOM 1048 CB LYS A 90 -0.955 11.377 3.195 1.00 55.51 C ATOM 1049 CG LYS A 90 -2.093 12.416 3.361 1.00 71.15 C ATOM 1050 CD LYS A 90 -3.146 12.403 2.226 1.00 14.21 C ATOM 1051 CE LYS A 90 -4.248 13.465 2.397 1.00 3.35 C ATOM 1052 NZ LYS A 90 -3.730 14.852 2.268 1.00 63.34 N ATOM 0 H LYS A 90 1.182 10.086 2.753 1.00 25.21 H new ATOM 0 HA LYS A 90 -0.750 11.376 1.048 1.00 45.10 H new ATOM 0 HB2 LYS A 90 -1.393 10.379 3.202 1.00 55.51 H new ATOM 0 HB3 LYS A 90 -0.296 11.442 4.061 1.00 55.51 H new ATOM 0 HG2 LYS A 90 -2.598 12.234 4.310 1.00 71.15 H new ATOM 0 HG3 LYS A 90 -1.653 13.412 3.420 1.00 71.15 H new ATOM 0 HD2 LYS A 90 -2.643 12.564 1.273 1.00 14.21 H new ATOM 0 HD3 LYS A 90 -3.607 11.416 2.181 1.00 14.21 H new ATOM 0 HE2 LYS A 90 -5.025 13.300 1.650 1.00 3.35 H new ATOM 0 HE3 LYS A 90 -4.715 13.345 3.375 1.00 3.35 H new ATOM 0 HZ1 LYS A 90 -4.427 15.437 1.765 1.00 63.34 H new ATOM 0 HZ2 LYS A 90 -3.563 15.249 3.214 1.00 63.34 H new ATOM 0 HZ3 LYS A 90 -2.837 14.841 1.734 1.00 63.34 H new ATOM 1066 N LYS A 91 0.068 13.687 0.771 1.00 74.41 N ATOM 1067 CA LYS A 91 0.436 15.095 0.562 1.00 30.35 C ATOM 1068 C LYS A 91 -0.325 15.976 1.572 1.00 24.22 C ATOM 1069 O LYS A 91 -1.518 16.223 1.383 1.00 12.50 O ATOM 1070 CB LYS A 91 0.082 15.532 -0.883 1.00 10.21 C ATOM 1071 CG LYS A 91 0.712 14.683 -2.005 1.00 21.45 C ATOM 1072 CD LYS A 91 0.251 15.147 -3.408 1.00 60.41 C ATOM 1073 CE LYS A 91 0.842 14.312 -4.556 1.00 43.32 C ATOM 1074 NZ LYS A 91 0.347 14.773 -5.880 1.00 53.21 N ATOM 0 H LYS A 91 -0.547 13.317 0.046 1.00 74.41 H new ATOM 0 HA LYS A 91 1.510 15.210 0.710 1.00 30.35 H new ATOM 0 HB2 LYS A 91 -1.002 15.507 -0.997 1.00 10.21 H new ATOM 0 HB3 LYS A 91 0.392 16.568 -1.017 1.00 10.21 H new ATOM 0 HG2 LYS A 91 1.798 14.745 -1.941 1.00 21.45 H new ATOM 0 HG3 LYS A 91 0.444 13.636 -1.862 1.00 21.45 H new ATOM 0 HD2 LYS A 91 -0.837 15.100 -3.458 1.00 60.41 H new ATOM 0 HD3 LYS A 91 0.532 16.191 -3.547 1.00 60.41 H new ATOM 0 HE2 LYS A 91 1.930 14.377 -4.531 1.00 43.32 H new ATOM 0 HE3 LYS A 91 0.582 13.263 -4.415 1.00 43.32 H new ATOM 0 HZ1 LYS A 91 0.779 14.198 -6.631 1.00 53.21 H new ATOM 0 HZ2 LYS A 91 -0.687 14.672 -5.918 1.00 53.21 H new ATOM 0 HZ3 LYS A 91 0.602 15.772 -6.018 1.00 53.21 H new ATOM 1088 N LEU A 92 0.374 16.402 2.647 1.00 3.52 N ATOM 1089 CA LEU A 92 -0.193 17.227 3.744 1.00 73.20 C ATOM 1090 C LEU A 92 -1.413 16.522 4.404 1.00 53.34 C ATOM 1091 O LEU A 92 -2.564 16.770 4.023 1.00 72.34 O ATOM 1092 CB LEU A 92 -0.577 18.681 3.274 1.00 40.14 C ATOM 1093 CG LEU A 92 0.589 19.631 2.814 1.00 60.23 C ATOM 1094 CD1 LEU A 92 1.174 19.233 1.439 1.00 41.44 C ATOM 1095 CD2 LEU A 92 0.132 21.112 2.811 1.00 50.54 C ATOM 0 H LEU A 92 1.361 16.181 2.782 1.00 3.52 H new ATOM 0 HA LEU A 92 0.594 17.332 4.491 1.00 73.20 H new ATOM 0 HB2 LEU A 92 -1.283 18.591 2.448 1.00 40.14 H new ATOM 0 HB3 LEU A 92 -1.105 19.170 4.093 1.00 40.14 H new ATOM 0 HG LEU A 92 1.391 19.516 3.544 1.00 60.23 H new ATOM 0 HD11 LEU A 92 1.975 19.922 1.171 1.00 41.44 H new ATOM 0 HD12 LEU A 92 1.570 18.219 1.492 1.00 41.44 H new ATOM 0 HD13 LEU A 92 0.390 19.277 0.683 1.00 41.44 H new ATOM 0 HD21 LEU A 92 0.957 21.747 2.489 1.00 50.54 H new ATOM 0 HD22 LEU A 92 -0.707 21.232 2.126 1.00 50.54 H new ATOM 0 HD23 LEU A 92 -0.176 21.400 3.816 1.00 50.54 H new ATOM 1107 N GLU A 93 -1.146 15.607 5.353 1.00 15.24 N ATOM 1108 CA GLU A 93 -2.207 14.882 6.094 1.00 54.54 C ATOM 1109 C GLU A 93 -2.917 15.834 7.088 1.00 4.43 C ATOM 1110 O GLU A 93 -4.134 15.761 7.281 1.00 72.15 O ATOM 1111 CB GLU A 93 -1.623 13.633 6.848 1.00 1.25 C ATOM 1112 CG GLU A 93 -0.745 13.924 8.098 1.00 23.14 C ATOM 1113 CD GLU A 93 0.612 14.596 7.800 1.00 45.02 C ATOM 1114 OE1 GLU A 93 0.669 15.830 7.632 1.00 0.10 O ATOM 1115 OE2 GLU A 93 1.628 13.896 7.740 1.00 64.24 O ATOM 0 H GLU A 93 -0.199 15.347 5.630 1.00 15.24 H new ATOM 0 HA GLU A 93 -2.938 14.523 5.370 1.00 54.54 H new ATOM 0 HB2 GLU A 93 -2.456 13.001 7.156 1.00 1.25 H new ATOM 0 HB3 GLU A 93 -1.028 13.055 6.141 1.00 1.25 H new ATOM 0 HG2 GLU A 93 -1.308 14.563 8.778 1.00 23.14 H new ATOM 0 HG3 GLU A 93 -0.562 12.985 8.621 1.00 23.14 H new ATOM 1122 N HIS A 94 -2.115 16.744 7.665 1.00 62.32 N ATOM 1123 CA HIS A 94 -2.501 17.682 8.727 1.00 2.15 C ATOM 1124 C HIS A 94 -1.232 18.453 9.132 1.00 62.00 C ATOM 1125 O HIS A 94 -1.105 19.634 8.821 1.00 71.55 O ATOM 1126 CB HIS A 94 -3.130 16.938 9.946 1.00 74.45 C ATOM 1127 CG HIS A 94 -3.318 17.766 11.191 1.00 25.25 C ATOM 1128 ND1 HIS A 94 -2.577 17.572 12.340 1.00 42.12 N ATOM 1129 CD2 HIS A 94 -4.175 18.777 11.470 1.00 73.10 C ATOM 1130 CE1 HIS A 94 -2.972 18.421 13.267 1.00 1.13 C ATOM 1131 NE2 HIS A 94 -3.942 19.166 12.766 1.00 52.14 N ATOM 0 H HIS A 94 -1.138 16.849 7.391 1.00 62.32 H new ATOM 0 HA HIS A 94 -3.267 18.370 8.368 1.00 2.15 H new ATOM 0 HB2 HIS A 94 -4.100 16.542 9.645 1.00 74.45 H new ATOM 0 HB3 HIS A 94 -2.499 16.084 10.192 1.00 74.45 H new ATOM 0 HD2 HIS A 94 -4.907 19.199 10.797 1.00 73.10 H new ATOM 0 HE1 HIS A 94 -2.571 18.496 14.267 1.00 1.13 H new ATOM 0 HE2 HIS A 94 -4.436 19.908 13.261 1.00 52.14 H new ATOM 1140 N HIS A 95 -0.292 17.730 9.789 1.00 21.32 N ATOM 1141 CA HIS A 95 1.044 18.230 10.205 1.00 32.15 C ATOM 1142 C HIS A 95 1.799 17.098 10.934 1.00 35.11 C ATOM 1143 O HIS A 95 1.594 16.880 12.134 1.00 14.24 O ATOM 1144 CB HIS A 95 0.982 19.520 11.103 1.00 10.23 C ATOM 1145 CG HIS A 95 1.231 20.810 10.350 1.00 64.01 C ATOM 1146 ND1 HIS A 95 0.405 21.912 10.421 1.00 15.32 N ATOM 1147 CD2 HIS A 95 2.242 21.159 9.518 1.00 13.55 C ATOM 1148 CE1 HIS A 95 0.895 22.878 9.666 1.00 14.22 C ATOM 1149 NE2 HIS A 95 2.008 22.449 9.109 1.00 75.50 N ATOM 0 H HIS A 95 -0.445 16.756 10.052 1.00 21.32 H new ATOM 0 HA HIS A 95 1.576 18.526 9.301 1.00 32.15 H new ATOM 0 HB2 HIS A 95 0.002 19.572 11.578 1.00 10.23 H new ATOM 0 HB3 HIS A 95 1.719 19.430 11.901 1.00 10.23 H new ATOM 0 HD2 HIS A 95 3.077 20.538 9.230 1.00 13.55 H new ATOM 0 HE1 HIS A 95 0.457 23.855 9.529 1.00 14.22 H new ATOM 0 HE2 HIS A 95 2.600 22.987 8.477 1.00 75.50 H new ATOM 1158 N HIS A 96 2.635 16.357 10.185 1.00 74.34 N ATOM 1159 CA HIS A 96 3.480 15.283 10.737 1.00 4.53 C ATOM 1160 C HIS A 96 4.742 15.145 9.871 1.00 72.03 C ATOM 1161 O HIS A 96 5.853 15.345 10.369 1.00 52.32 O ATOM 1162 CB HIS A 96 2.683 13.948 10.809 1.00 23.04 C ATOM 1163 CG HIS A 96 3.419 12.765 11.397 1.00 74.23 C ATOM 1164 ND1 HIS A 96 3.143 12.255 12.647 1.00 14.32 N ATOM 1165 CD2 HIS A 96 4.398 11.970 10.884 1.00 21.40 C ATOM 1166 CE1 HIS A 96 3.917 11.214 12.879 1.00 64.04 C ATOM 1167 NE2 HIS A 96 4.685 11.020 11.828 1.00 4.11 N ATOM 0 H HIS A 96 2.744 16.486 9.179 1.00 74.34 H new ATOM 0 HA HIS A 96 3.781 15.533 11.754 1.00 4.53 H new ATOM 0 HB2 HIS A 96 1.781 14.118 11.397 1.00 23.04 H new ATOM 0 HB3 HIS A 96 2.361 13.686 9.801 1.00 23.04 H new ATOM 0 HD2 HIS A 96 4.862 12.070 9.914 1.00 21.40 H new ATOM 0 HE1 HIS A 96 3.921 10.620 13.781 1.00 64.04 H new ATOM 0 HE2 HIS A 96 5.382 10.281 11.732 1.00 4.11 H new ATOM 1176 N HIS A 97 4.548 14.825 8.567 1.00 22.11 N ATOM 1177 CA HIS A 97 5.659 14.546 7.614 1.00 31.45 C ATOM 1178 C HIS A 97 6.615 15.747 7.529 1.00 21.42 C ATOM 1179 O HIS A 97 7.791 15.649 7.895 1.00 24.14 O ATOM 1180 CB HIS A 97 5.126 14.234 6.188 1.00 41.10 C ATOM 1181 CG HIS A 97 4.165 13.092 6.090 1.00 3.44 C ATOM 1182 ND1 HIS A 97 3.094 13.101 5.228 1.00 3.54 N ATOM 1183 CD2 HIS A 97 4.122 11.899 6.728 1.00 4.22 C ATOM 1184 CE1 HIS A 97 2.439 11.979 5.333 1.00 12.00 C ATOM 1185 NE2 HIS A 97 3.037 11.230 6.236 1.00 22.33 N ATOM 0 H HIS A 97 3.622 14.753 8.145 1.00 22.11 H new ATOM 0 HA HIS A 97 6.190 13.673 7.993 1.00 31.45 H new ATOM 0 HB2 HIS A 97 4.640 15.128 5.798 1.00 41.10 H new ATOM 0 HB3 HIS A 97 5.977 14.025 5.540 1.00 41.10 H new ATOM 0 HD2 HIS A 97 4.811 11.545 7.480 1.00 4.22 H new ATOM 0 HE1 HIS A 97 1.555 11.709 4.774 1.00 12.00 H new ATOM 0 HE2 HIS A 97 2.738 10.298 6.523 1.00 22.33 H new ATOM 1194 N HIS A 98 6.085 16.876 7.035 1.00 64.12 N ATOM 1195 CA HIS A 98 6.823 18.133 6.948 1.00 22.51 C ATOM 1196 C HIS A 98 6.904 18.768 8.345 1.00 63.32 C ATOM 1197 O HIS A 98 5.949 19.399 8.811 1.00 11.45 O ATOM 1198 CB HIS A 98 6.153 19.086 5.925 1.00 73.05 C ATOM 1199 CG HIS A 98 6.856 20.409 5.743 1.00 55.21 C ATOM 1200 ND1 HIS A 98 6.185 21.609 5.644 1.00 2.23 N ATOM 1201 CD2 HIS A 98 8.176 20.713 5.640 1.00 53.50 C ATOM 1202 CE1 HIS A 98 7.056 22.590 5.491 1.00 13.45 C ATOM 1203 NE2 HIS A 98 8.269 22.073 5.484 1.00 54.24 N ATOM 0 H HIS A 98 5.129 16.937 6.685 1.00 64.12 H new ATOM 0 HA HIS A 98 7.836 17.942 6.594 1.00 22.51 H new ATOM 0 HB2 HIS A 98 6.100 18.582 4.960 1.00 73.05 H new ATOM 0 HB3 HIS A 98 5.128 19.275 6.242 1.00 73.05 H new ATOM 0 HD2 HIS A 98 8.999 20.014 5.674 1.00 53.50 H new ATOM 0 HE1 HIS A 98 6.815 23.638 5.389 1.00 13.45 H new ATOM 0 HE2 HIS A 98 9.137 22.599 5.379 1.00 54.24 H new ATOM 1212 N HIS A 99 8.032 18.521 9.015 1.00 35.54 N ATOM 1213 CA HIS A 99 8.365 19.112 10.316 1.00 64.51 C ATOM 1214 C HIS A 99 9.903 19.198 10.410 1.00 12.53 C ATOM 1215 O HIS A 99 10.551 18.167 10.681 1.00 65.10 O ATOM 1216 CB HIS A 99 7.762 18.279 11.487 1.00 54.44 C ATOM 1217 CG HIS A 99 7.939 18.912 12.846 1.00 40.22 C ATOM 1218 ND1 HIS A 99 6.994 19.735 13.415 1.00 70.11 N ATOM 1219 CD2 HIS A 99 8.961 18.851 13.737 1.00 24.13 C ATOM 1220 CE1 HIS A 99 7.426 20.158 14.584 1.00 24.04 C ATOM 1221 NE2 HIS A 99 8.614 19.634 14.809 1.00 24.31 N ATOM 1222 OXT HIS A 99 10.467 20.284 10.166 1.00 38.08 O ATOM 0 H HIS A 99 8.754 17.893 8.663 1.00 35.54 H new ATOM 0 HA HIS A 99 7.932 20.109 10.400 1.00 64.51 H new ATOM 0 HB2 HIS A 99 6.698 18.130 11.303 1.00 54.44 H new ATOM 0 HB3 HIS A 99 8.226 17.293 11.494 1.00 54.44 H new ATOM 0 HD2 HIS A 99 9.877 18.290 13.623 1.00 24.13 H new ATOM 0 HE1 HIS A 99 6.895 20.824 15.248 1.00 24.04 H new ATOM 0 HE2 HIS A 99 9.182 19.785 15.643 1.00 24.31 H new TER 1231 HIS A 99