USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 92 THR OG1 : rot -175:sc= 0.737 USER MOD Set 1.2: A 98 THR OG1 : rot 85:sc= 1.5 USER MOD Set 2.1: A 66 THR OG1 : rot -140:sc= 0.649 USER MOD Set 2.2: A 68 GLN : amide:sc= -0.461 K(o=0.19,f=1.1) USER MOD Set 3.1: A 49 THR OG1 : rot -144:sc= 1.43 USER MOD Set 3.2: A 51 ASN : amide:sc= 1.05 K(o=2.5,f=-1.7) USER MOD Single : A 43 MET CE :methyl -165:sc=-0.00143 (180deg=-0.192) USER MOD Single : A 46 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.5) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0418 USER MOD Single : A 60 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 63 HIS : no HD1:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 69 MET CE :methyl 167:sc= -0.099 (180deg=-0.292) USER MOD Single : A 72 THR OG1 : rot 85:sc= 0.179 USER MOD Single : A 74 GLN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0388 X(o=-0.039,f=-0.048) USER MOD Single : A 79 ASN : amide:sc= 0.829 K(o=0.83,f=-0.03) USER MOD Single : A 81 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-7.7!) USER MOD Single : A 84 GLN : amide:sc= 1.39 K(o=1.4,f=-6.2!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 171:sc= 1.32 USER MOD Single : A 91 ASN : amide:sc= 1.47 K(o=1.5,f=-0.0075) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -4.902 20.926 -49.043 1.00 70.24 N ATOM 2 CA GLY A 41 -5.078 22.388 -49.099 1.00 41.11 C ATOM 3 C GLY A 41 -5.214 22.935 -47.687 1.00 51.13 C ATOM 4 O GLY A 41 -5.289 22.138 -46.757 1.00 43.22 O ATOM 0 HA2 GLY A 41 -4.226 22.849 -49.599 1.00 41.11 H new ATOM 0 HA3 GLY A 41 -5.964 22.637 -49.684 1.00 41.11 H new ATOM 8 N ALA A 42 -5.253 24.263 -47.533 1.00 35.52 N ATOM 9 CA ALA A 42 -5.376 25.007 -46.273 1.00 33.15 C ATOM 10 C ALA A 42 -4.198 24.864 -45.290 1.00 14.44 C ATOM 11 O ALA A 42 -4.135 25.638 -44.338 1.00 34.32 O ATOM 12 CB ALA A 42 -6.735 24.743 -45.607 1.00 63.52 C ATOM 0 H ALA A 42 -5.196 24.888 -48.337 1.00 35.52 H new ATOM 0 HA ALA A 42 -5.327 26.056 -46.563 1.00 33.15 H new ATOM 0 HB1 ALA A 42 -6.799 25.306 -44.676 1.00 63.52 H new ATOM 0 HB2 ALA A 42 -7.536 25.057 -46.277 1.00 63.52 H new ATOM 0 HB3 ALA A 42 -6.836 23.679 -45.395 1.00 63.52 H new ATOM 18 N MET A 43 -3.277 23.912 -45.481 1.00 61.32 N ATOM 19 CA MET A 43 -2.122 23.762 -44.599 1.00 4.31 C ATOM 20 C MET A 43 -1.191 24.966 -44.807 1.00 64.30 C ATOM 21 O MET A 43 -1.291 25.664 -45.819 1.00 24.21 O ATOM 22 CB MET A 43 -1.395 22.427 -44.835 1.00 51.42 C ATOM 23 CG MET A 43 -0.936 22.178 -46.283 1.00 40.12 C ATOM 24 SD MET A 43 -2.134 21.360 -47.384 1.00 52.34 S ATOM 25 CE MET A 43 -2.126 19.695 -46.658 1.00 21.25 C ATOM 0 H MET A 43 -3.313 23.234 -46.242 1.00 61.32 H new ATOM 0 HA MET A 43 -2.457 23.740 -43.562 1.00 4.31 H new ATOM 0 HB2 MET A 43 -0.523 22.386 -44.182 1.00 51.42 H new ATOM 0 HB3 MET A 43 -2.056 21.614 -44.535 1.00 51.42 H new ATOM 0 HG2 MET A 43 -0.665 23.137 -46.725 1.00 40.12 H new ATOM 0 HG3 MET A 43 -0.030 21.573 -46.255 1.00 40.12 H new ATOM 0 HE1 MET A 43 -2.589 18.993 -47.352 1.00 21.25 H new ATOM 0 HE2 MET A 43 -1.098 19.388 -46.463 1.00 21.25 H new ATOM 0 HE3 MET A 43 -2.685 19.703 -45.723 1.00 21.25 H new ATOM 35 N GLY A 44 -0.254 25.183 -43.885 1.00 60.52 N ATOM 36 CA GLY A 44 0.687 26.294 -43.931 1.00 62.12 C ATOM 37 C GLY A 44 0.872 26.793 -42.504 1.00 31.42 C ATOM 38 O GLY A 44 1.903 26.496 -41.910 1.00 4.52 O ATOM 0 H GLY A 44 -0.128 24.580 -43.072 1.00 60.52 H new ATOM 0 HA2 GLY A 44 1.640 25.973 -44.352 1.00 62.12 H new ATOM 0 HA3 GLY A 44 0.309 27.091 -44.571 1.00 62.12 H new ATOM 42 N PRO A 45 -0.120 27.484 -41.909 1.00 73.24 N ATOM 43 CA PRO A 45 -0.033 27.975 -40.532 1.00 75.31 C ATOM 44 C PRO A 45 -0.098 26.830 -39.496 1.00 44.33 C ATOM 45 O PRO A 45 -0.124 27.080 -38.295 1.00 42.05 O ATOM 46 CB PRO A 45 -1.192 28.969 -40.385 1.00 60.50 C ATOM 47 CG PRO A 45 -2.235 28.442 -41.368 1.00 24.50 C ATOM 48 CD PRO A 45 -1.384 27.895 -42.513 1.00 33.52 C ATOM 0 HA PRO A 45 0.926 28.454 -40.337 1.00 75.31 H new ATOM 0 HB2 PRO A 45 -1.576 28.991 -39.365 1.00 60.50 H new ATOM 0 HB3 PRO A 45 -0.884 29.985 -40.632 1.00 60.50 H new ATOM 0 HG2 PRO A 45 -2.856 27.666 -40.920 1.00 24.50 H new ATOM 0 HG3 PRO A 45 -2.906 29.232 -41.706 1.00 24.50 H new ATOM 0 HD2 PRO A 45 -1.877 27.053 -42.999 1.00 33.52 H new ATOM 0 HD3 PRO A 45 -1.223 28.655 -43.278 1.00 33.52 H new ATOM 56 N GLN A 46 -0.199 25.582 -39.952 1.00 60.53 N ATOM 57 CA GLN A 46 -0.254 24.349 -39.193 1.00 74.14 C ATOM 58 C GLN A 46 0.559 23.363 -40.045 1.00 73.53 C ATOM 59 O GLN A 46 0.444 23.381 -41.278 1.00 45.12 O ATOM 60 CB GLN A 46 -1.727 23.930 -38.981 1.00 43.12 C ATOM 61 CG GLN A 46 -1.955 22.939 -37.822 1.00 2.02 C ATOM 62 CD GLN A 46 -1.232 21.610 -38.027 1.00 22.24 C ATOM 63 OE1 GLN A 46 -1.343 20.985 -39.074 1.00 51.40 O ATOM 64 NE2 GLN A 46 -0.420 21.182 -37.074 1.00 44.23 N ATOM 0 H GLN A 46 -0.248 25.400 -40.954 1.00 60.53 H new ATOM 0 HA GLN A 46 0.158 24.415 -38.186 1.00 74.14 H new ATOM 0 HB2 GLN A 46 -2.322 24.825 -38.798 1.00 43.12 H new ATOM 0 HB3 GLN A 46 -2.099 23.482 -39.902 1.00 43.12 H new ATOM 0 HG2 GLN A 46 -1.615 23.392 -36.891 1.00 2.02 H new ATOM 0 HG3 GLN A 46 -3.024 22.753 -37.714 1.00 2.02 H new ATOM 0 HE21 GLN A 46 -0.333 21.708 -36.204 1.00 44.23 H new ATOM 0 HE22 GLN A 46 0.118 20.326 -37.209 1.00 44.23 H new ATOM 73 N GLY A 47 1.409 22.561 -39.401 1.00 75.43 N ATOM 74 CA GLY A 47 2.278 21.563 -40.006 1.00 12.52 C ATOM 75 C GLY A 47 2.821 20.648 -38.907 1.00 41.33 C ATOM 76 O GLY A 47 2.080 20.289 -37.992 1.00 13.55 O ATOM 0 H GLY A 47 1.511 22.597 -38.387 1.00 75.43 H new ATOM 0 HA2 GLY A 47 1.726 20.980 -40.744 1.00 12.52 H new ATOM 0 HA3 GLY A 47 3.100 22.048 -40.533 1.00 12.52 H new ATOM 80 N SER A 48 4.080 20.220 -39.008 1.00 43.41 N ATOM 81 CA SER A 48 4.735 19.360 -38.027 1.00 24.52 C ATOM 82 C SER A 48 6.233 19.693 -38.006 1.00 2.44 C ATOM 83 O SER A 48 6.701 20.473 -38.838 1.00 45.24 O ATOM 84 CB SER A 48 4.457 17.889 -38.367 1.00 54.31 C ATOM 85 OG SER A 48 4.667 17.079 -37.230 1.00 4.23 O ATOM 0 H SER A 48 4.684 20.468 -39.792 1.00 43.41 H new ATOM 0 HA SER A 48 4.341 19.533 -37.026 1.00 24.52 H new ATOM 0 HB2 SER A 48 3.431 17.777 -38.718 1.00 54.31 H new ATOM 0 HB3 SER A 48 5.109 17.566 -39.178 1.00 54.31 H new ATOM 0 HG SER A 48 4.485 16.143 -37.457 1.00 4.23 H new ATOM 91 N THR A 49 6.977 19.153 -37.038 1.00 72.25 N ATOM 92 CA THR A 49 8.410 19.357 -36.846 1.00 44.41 C ATOM 93 C THR A 49 8.917 18.318 -35.820 1.00 3.25 C ATOM 94 O THR A 49 8.189 17.392 -35.449 1.00 45.51 O ATOM 95 CB THR A 49 8.674 20.832 -36.431 1.00 1.52 C ATOM 96 OG1 THR A 49 10.070 21.061 -36.350 1.00 42.34 O ATOM 97 CG2 THR A 49 7.997 21.226 -35.110 1.00 51.44 C ATOM 0 H THR A 49 6.575 18.533 -36.335 1.00 72.25 H new ATOM 0 HA THR A 49 8.968 19.199 -37.769 1.00 44.41 H new ATOM 0 HB THR A 49 8.230 21.461 -37.202 1.00 1.52 H new ATOM 0 HG1 THR A 49 10.258 21.676 -35.611 1.00 42.34 H new ATOM 0 HG21 THR A 49 8.223 22.267 -34.882 1.00 51.44 H new ATOM 0 HG22 THR A 49 6.918 21.101 -35.203 1.00 51.44 H new ATOM 0 HG23 THR A 49 8.368 20.589 -34.307 1.00 51.44 H new ATOM 105 N GLN A 50 10.172 18.453 -35.376 1.00 22.51 N ATOM 106 CA GLN A 50 10.863 17.617 -34.392 1.00 64.14 C ATOM 107 C GLN A 50 11.502 18.516 -33.319 1.00 14.13 C ATOM 108 O GLN A 50 12.604 18.250 -32.827 1.00 55.21 O ATOM 109 CB GLN A 50 11.878 16.675 -35.062 1.00 21.41 C ATOM 110 CG GLN A 50 11.223 15.738 -36.085 1.00 22.12 C ATOM 111 CD GLN A 50 11.901 14.374 -36.117 1.00 22.24 C ATOM 112 OE1 GLN A 50 12.916 14.168 -36.774 1.00 45.13 O ATOM 113 NE2 GLN A 50 11.372 13.406 -35.392 1.00 52.15 N ATOM 0 H GLN A 50 10.772 19.203 -35.720 1.00 22.51 H new ATOM 0 HA GLN A 50 10.140 16.966 -33.900 1.00 64.14 H new ATOM 0 HB2 GLN A 50 12.647 17.268 -35.557 1.00 21.41 H new ATOM 0 HB3 GLN A 50 12.377 16.080 -34.297 1.00 21.41 H new ATOM 0 HG2 GLN A 50 10.168 15.614 -35.841 1.00 22.12 H new ATOM 0 HG3 GLN A 50 11.270 16.191 -37.075 1.00 22.12 H new ATOM 0 HE21 GLN A 50 10.528 13.580 -34.847 1.00 52.15 H new ATOM 0 HE22 GLN A 50 11.807 12.484 -35.377 1.00 52.15 H new ATOM 122 N ASN A 51 10.818 19.620 -32.990 1.00 63.14 N ATOM 123 CA ASN A 51 11.225 20.611 -31.996 1.00 42.33 C ATOM 124 C ASN A 51 11.261 19.907 -30.643 1.00 74.40 C ATOM 125 O ASN A 51 10.209 19.684 -30.026 1.00 23.45 O ATOM 126 CB ASN A 51 10.244 21.801 -31.948 1.00 42.02 C ATOM 127 CG ASN A 51 10.400 22.789 -33.099 1.00 1.13 C ATOM 128 OD1 ASN A 51 10.914 22.469 -34.162 1.00 21.44 O ATOM 129 ND2 ASN A 51 9.905 24.003 -32.944 1.00 13.04 N ATOM 0 H ASN A 51 9.928 19.853 -33.431 1.00 63.14 H new ATOM 0 HA ASN A 51 12.203 21.015 -32.257 1.00 42.33 H new ATOM 0 HB2 ASN A 51 9.224 21.416 -31.950 1.00 42.02 H new ATOM 0 HB3 ASN A 51 10.382 22.333 -31.007 1.00 42.02 H new ATOM 0 HD21 ASN A 51 9.951 24.674 -33.711 1.00 13.04 H new ATOM 0 HD22 ASN A 51 9.476 24.270 -32.058 1.00 13.04 H new ATOM 136 N ALA A 52 12.444 19.508 -30.190 1.00 10.42 N ATOM 137 CA ALA A 52 12.670 18.812 -28.934 1.00 63.54 C ATOM 138 C ALA A 52 13.939 19.331 -28.267 1.00 41.34 C ATOM 139 O ALA A 52 14.760 19.995 -28.910 1.00 1.44 O ATOM 140 CB ALA A 52 12.781 17.310 -29.219 1.00 61.15 C ATOM 0 H ALA A 52 13.306 19.669 -30.711 1.00 10.42 H new ATOM 0 HA ALA A 52 11.837 18.991 -28.253 1.00 63.54 H new ATOM 0 HB1 ALA A 52 12.951 16.774 -28.285 1.00 61.15 H new ATOM 0 HB2 ALA A 52 11.857 16.957 -29.677 1.00 61.15 H new ATOM 0 HB3 ALA A 52 13.614 17.129 -29.898 1.00 61.15 H new ATOM 146 N LEU A 53 14.128 18.982 -26.999 1.00 12.05 N ATOM 147 CA LEU A 53 15.260 19.364 -26.158 1.00 22.51 C ATOM 148 C LEU A 53 15.837 18.130 -25.444 1.00 10.30 C ATOM 149 O LEU A 53 15.540 16.997 -25.829 1.00 13.53 O ATOM 150 CB LEU A 53 14.867 20.555 -25.260 1.00 44.32 C ATOM 151 CG LEU A 53 13.525 20.454 -24.506 1.00 54.43 C ATOM 152 CD1 LEU A 53 13.467 19.282 -23.525 1.00 22.40 C ATOM 153 CD2 LEU A 53 13.284 21.756 -23.741 1.00 30.21 C ATOM 0 H LEU A 53 13.460 18.393 -26.502 1.00 12.05 H new ATOM 0 HA LEU A 53 16.092 19.735 -26.757 1.00 22.51 H new ATOM 0 HB2 LEU A 53 15.658 20.699 -24.524 1.00 44.32 H new ATOM 0 HB3 LEU A 53 14.840 21.451 -25.880 1.00 44.32 H new ATOM 0 HG LEU A 53 12.752 20.281 -25.255 1.00 54.43 H new ATOM 0 HD11 LEU A 53 12.496 19.270 -23.029 1.00 22.40 H new ATOM 0 HD12 LEU A 53 13.609 18.347 -24.067 1.00 22.40 H new ATOM 0 HD13 LEU A 53 14.254 19.393 -22.779 1.00 22.40 H new ATOM 0 HD21 LEU A 53 12.337 21.693 -23.205 1.00 30.21 H new ATOM 0 HD22 LEU A 53 14.094 21.915 -23.029 1.00 30.21 H new ATOM 0 HD23 LEU A 53 13.249 22.589 -24.443 1.00 30.21 H new ATOM 165 N ARG A 54 16.743 18.323 -24.480 1.00 3.34 N ATOM 166 CA ARG A 54 17.382 17.225 -23.746 1.00 73.01 C ATOM 167 C ARG A 54 16.395 16.402 -22.913 1.00 64.20 C ATOM 168 O ARG A 54 15.231 16.769 -22.726 1.00 21.24 O ATOM 169 CB ARG A 54 18.504 17.763 -22.837 1.00 11.24 C ATOM 170 CG ARG A 54 19.800 18.138 -23.572 1.00 34.11 C ATOM 171 CD ARG A 54 19.830 19.575 -24.099 1.00 53.24 C ATOM 172 NE ARG A 54 19.491 19.708 -25.524 1.00 30.30 N ATOM 173 CZ ARG A 54 19.438 20.880 -26.172 1.00 22.32 C ATOM 174 NH1 ARG A 54 19.578 22.028 -25.516 1.00 5.42 N ATOM 175 NH2 ARG A 54 19.248 20.922 -27.484 1.00 72.33 N ATOM 0 H ARG A 54 17.055 19.248 -24.186 1.00 3.34 H new ATOM 0 HA ARG A 54 17.801 16.558 -24.500 1.00 73.01 H new ATOM 0 HB2 ARG A 54 18.135 18.642 -22.308 1.00 11.24 H new ATOM 0 HB3 ARG A 54 18.735 17.011 -22.083 1.00 11.24 H new ATOM 0 HG2 ARG A 54 20.643 17.993 -22.896 1.00 34.11 H new ATOM 0 HG3 ARG A 54 19.941 17.453 -24.408 1.00 34.11 H new ATOM 0 HD2 ARG A 54 19.134 20.178 -23.515 1.00 53.24 H new ATOM 0 HD3 ARG A 54 20.825 19.988 -23.935 1.00 53.24 H new ATOM 0 HE ARG A 54 19.284 18.859 -26.050 1.00 30.30 H new ATOM 0 HH11 ARG A 54 19.728 22.024 -24.507 1.00 5.42 H new ATOM 0 HH12 ARG A 54 19.536 22.913 -26.022 1.00 5.42 H new ATOM 0 HH21 ARG A 54 19.140 20.056 -28.012 1.00 72.33 H new ATOM 0 HH22 ARG A 54 19.210 21.821 -27.965 1.00 72.33 H new ATOM 189 N ARG A 55 16.868 15.253 -22.424 1.00 34.14 N ATOM 190 CA ARG A 55 16.089 14.344 -21.588 1.00 73.21 C ATOM 191 C ARG A 55 15.947 14.932 -20.180 1.00 53.31 C ATOM 192 O ARG A 55 16.420 16.039 -19.902 1.00 70.35 O ATOM 193 CB ARG A 55 16.715 12.933 -21.630 1.00 51.34 C ATOM 194 CG ARG A 55 18.102 12.774 -20.981 1.00 3.40 C ATOM 195 CD ARG A 55 18.005 12.429 -19.498 1.00 51.01 C ATOM 196 NE ARG A 55 19.291 12.000 -18.948 1.00 65.12 N ATOM 197 CZ ARG A 55 19.448 11.227 -17.873 1.00 2.05 C ATOM 198 NH1 ARG A 55 18.413 10.891 -17.099 1.00 43.13 N ATOM 199 NH2 ARG A 55 20.668 10.797 -17.585 1.00 71.12 N ATOM 0 H ARG A 55 17.817 14.926 -22.602 1.00 34.14 H new ATOM 0 HA ARG A 55 15.074 14.233 -21.971 1.00 73.21 H new ATOM 0 HB2 ARG A 55 16.029 12.241 -21.141 1.00 51.34 H new ATOM 0 HB3 ARG A 55 16.789 12.624 -22.673 1.00 51.34 H new ATOM 0 HG2 ARG A 55 18.657 11.992 -21.499 1.00 3.40 H new ATOM 0 HG3 ARG A 55 18.666 13.699 -21.102 1.00 3.40 H new ATOM 0 HD2 ARG A 55 17.647 13.298 -18.947 1.00 51.01 H new ATOM 0 HD3 ARG A 55 17.269 11.637 -19.358 1.00 51.01 H new ATOM 0 HE ARG A 55 20.135 12.318 -19.425 1.00 65.12 H new ATOM 0 HH11 ARG A 55 17.477 11.227 -17.325 1.00 43.13 H new ATOM 0 HH12 ARG A 55 18.559 10.298 -16.282 1.00 43.13 H new ATOM 0 HH21 ARG A 55 21.455 11.059 -18.179 1.00 71.12 H new ATOM 0 HH22 ARG A 55 20.820 10.204 -16.769 1.00 71.12 H new ATOM 213 N THR A 56 15.302 14.198 -19.276 1.00 45.23 N ATOM 214 CA THR A 56 15.088 14.619 -17.899 1.00 30.34 C ATOM 215 C THR A 56 15.530 13.511 -16.931 1.00 74.22 C ATOM 216 O THR A 56 15.902 12.407 -17.344 1.00 1.23 O ATOM 217 CB THR A 56 13.612 15.042 -17.774 1.00 15.21 C ATOM 218 OG1 THR A 56 13.353 15.756 -16.582 1.00 71.15 O ATOM 219 CG2 THR A 56 12.664 13.839 -17.807 1.00 73.51 C ATOM 0 H THR A 56 14.909 13.281 -19.486 1.00 45.23 H new ATOM 0 HA THR A 56 15.699 15.479 -17.625 1.00 30.34 H new ATOM 0 HB THR A 56 13.431 15.686 -18.634 1.00 15.21 H new ATOM 0 HG1 THR A 56 12.405 16.004 -16.549 1.00 71.15 H new ATOM 0 HG21 THR A 56 11.634 14.185 -17.716 1.00 73.51 H new ATOM 0 HG22 THR A 56 12.786 13.306 -18.750 1.00 73.51 H new ATOM 0 HG23 THR A 56 12.897 13.170 -16.979 1.00 73.51 H new ATOM 227 N GLY A 57 15.489 13.817 -15.635 1.00 74.24 N ATOM 228 CA GLY A 57 15.849 12.912 -14.562 1.00 0.22 C ATOM 229 C GLY A 57 14.773 11.852 -14.412 1.00 40.34 C ATOM 230 O GLY A 57 14.962 10.744 -14.898 1.00 34.42 O ATOM 0 H GLY A 57 15.194 14.734 -15.300 1.00 74.24 H new ATOM 0 HA2 GLY A 57 16.810 12.443 -14.774 1.00 0.22 H new ATOM 0 HA3 GLY A 57 15.963 13.464 -13.629 1.00 0.22 H new ATOM 234 N ARG A 58 13.652 12.228 -13.775 1.00 2.52 N ATOM 235 CA ARG A 58 12.442 11.450 -13.475 1.00 25.23 C ATOM 236 C ARG A 58 12.517 9.987 -13.918 1.00 42.11 C ATOM 237 O ARG A 58 11.993 9.642 -14.983 1.00 52.52 O ATOM 238 CB ARG A 58 11.185 12.110 -14.076 1.00 3.53 C ATOM 239 CG ARG A 58 10.792 13.470 -13.482 1.00 2.33 C ATOM 240 CD ARG A 58 11.507 14.670 -14.132 1.00 42.54 C ATOM 241 NE ARG A 58 12.637 15.199 -13.348 1.00 35.25 N ATOM 242 CZ ARG A 58 12.566 15.807 -12.155 1.00 61.44 C ATOM 243 NH1 ARG A 58 11.407 16.004 -11.539 1.00 32.20 N ATOM 244 NH2 ARG A 58 13.689 16.222 -11.593 1.00 2.43 N ATOM 0 H ARG A 58 13.563 13.181 -13.422 1.00 2.52 H new ATOM 0 HA ARG A 58 12.372 11.448 -12.387 1.00 25.23 H new ATOM 0 HB2 ARG A 58 11.341 12.235 -15.148 1.00 3.53 H new ATOM 0 HB3 ARG A 58 10.345 11.426 -13.954 1.00 3.53 H new ATOM 0 HG2 ARG A 58 9.715 13.602 -13.586 1.00 2.33 H new ATOM 0 HG3 ARG A 58 11.011 13.465 -12.414 1.00 2.33 H new ATOM 0 HD2 ARG A 58 11.870 14.373 -15.116 1.00 42.54 H new ATOM 0 HD3 ARG A 58 10.782 15.469 -14.288 1.00 42.54 H new ATOM 0 HE ARG A 58 13.567 15.092 -13.754 1.00 35.25 H new ATOM 0 HH11 ARG A 58 10.539 15.690 -11.973 1.00 32.20 H new ATOM 0 HH12 ARG A 58 11.384 16.470 -10.632 1.00 32.20 H new ATOM 0 HH21 ARG A 58 14.580 16.077 -12.067 1.00 2.43 H new ATOM 0 HH22 ARG A 58 13.664 16.688 -10.686 1.00 2.43 H new ATOM 258 N VAL A 59 13.147 9.141 -13.111 1.00 23.50 N ATOM 259 CA VAL A 59 13.297 7.716 -13.376 1.00 42.23 C ATOM 260 C VAL A 59 12.758 6.957 -12.164 1.00 31.14 C ATOM 261 O VAL A 59 12.656 7.528 -11.069 1.00 64.12 O ATOM 262 CB VAL A 59 14.769 7.408 -13.728 1.00 2.45 C ATOM 263 CG1 VAL A 59 15.727 7.567 -12.540 1.00 44.21 C ATOM 264 CG2 VAL A 59 14.935 6.019 -14.348 1.00 22.31 C ATOM 0 H VAL A 59 13.577 9.434 -12.234 1.00 23.50 H new ATOM 0 HA VAL A 59 12.721 7.389 -14.242 1.00 42.23 H new ATOM 0 HB VAL A 59 15.042 8.159 -14.469 1.00 2.45 H new ATOM 0 HG11 VAL A 59 16.743 7.335 -12.859 1.00 44.21 H new ATOM 0 HG12 VAL A 59 15.686 8.593 -12.175 1.00 44.21 H new ATOM 0 HG13 VAL A 59 15.433 6.886 -11.742 1.00 44.21 H new ATOM 0 HG21 VAL A 59 15.986 5.847 -14.579 1.00 22.31 H new ATOM 0 HG22 VAL A 59 14.590 5.262 -13.643 1.00 22.31 H new ATOM 0 HG23 VAL A 59 14.347 5.957 -15.264 1.00 22.31 H new ATOM 274 N ASN A 60 12.369 5.696 -12.352 1.00 0.43 N ATOM 275 CA ASN A 60 11.852 4.859 -11.271 1.00 14.00 C ATOM 276 C ASN A 60 13.003 4.525 -10.324 1.00 51.23 C ATOM 277 O ASN A 60 14.163 4.514 -10.744 1.00 22.43 O ATOM 278 CB ASN A 60 11.252 3.553 -11.814 1.00 71.33 C ATOM 279 CG ASN A 60 10.229 3.786 -12.908 1.00 33.31 C ATOM 280 OD1 ASN A 60 10.447 3.385 -14.048 1.00 44.45 O ATOM 281 ND2 ASN A 60 9.140 4.477 -12.628 1.00 44.41 N ATOM 0 H ASN A 60 12.404 5.227 -13.257 1.00 0.43 H new ATOM 0 HA ASN A 60 11.064 5.404 -10.751 1.00 14.00 H new ATOM 0 HB2 ASN A 60 12.054 2.924 -12.201 1.00 71.33 H new ATOM 0 HB3 ASN A 60 10.784 3.006 -10.996 1.00 71.33 H new ATOM 0 HD21 ASN A 60 8.465 4.685 -13.364 1.00 44.41 H new ATOM 0 HD22 ASN A 60 8.974 4.803 -11.676 1.00 44.41 H new ATOM 288 N GLY A 61 12.697 4.179 -9.076 1.00 13.25 N ATOM 289 CA GLY A 61 13.715 3.847 -8.092 1.00 43.22 C ATOM 290 C GLY A 61 13.246 4.113 -6.671 1.00 60.45 C ATOM 291 O GLY A 61 13.971 4.761 -5.920 1.00 21.41 O ATOM 0 H GLY A 61 11.742 4.122 -8.723 1.00 13.25 H new ATOM 0 HA2 GLY A 61 13.987 2.796 -8.193 1.00 43.22 H new ATOM 0 HA3 GLY A 61 14.615 4.429 -8.291 1.00 43.22 H new ATOM 295 N GLY A 62 12.040 3.672 -6.307 1.00 74.42 N ATOM 296 CA GLY A 62 11.474 3.845 -4.981 1.00 71.32 C ATOM 297 C GLY A 62 12.177 2.915 -3.994 1.00 61.45 C ATOM 298 O GLY A 62 13.401 2.779 -4.012 1.00 62.53 O ATOM 0 H GLY A 62 11.421 3.174 -6.946 1.00 74.42 H new ATOM 0 HA2 GLY A 62 11.584 4.881 -4.661 1.00 71.32 H new ATOM 0 HA3 GLY A 62 10.406 3.629 -5.000 1.00 71.32 H new ATOM 302 N HIS A 63 11.410 2.216 -3.171 1.00 63.22 N ATOM 303 CA HIS A 63 11.923 1.305 -2.156 1.00 31.11 C ATOM 304 C HIS A 63 11.444 -0.131 -2.393 1.00 63.55 C ATOM 305 O HIS A 63 10.382 -0.331 -2.991 1.00 15.01 O ATOM 306 CB HIS A 63 11.433 1.804 -0.791 1.00 5.35 C ATOM 307 CG HIS A 63 11.776 3.246 -0.509 1.00 54.42 C ATOM 308 ND1 HIS A 63 13.036 3.767 -0.291 1.00 52.41 N ATOM 309 CD2 HIS A 63 10.884 4.284 -0.485 1.00 41.42 C ATOM 310 CE1 HIS A 63 12.900 5.097 -0.140 1.00 11.22 C ATOM 311 NE2 HIS A 63 11.604 5.449 -0.212 1.00 23.33 N ATOM 0 H HIS A 63 10.391 2.267 -3.190 1.00 63.22 H new ATOM 0 HA HIS A 63 13.012 1.290 -2.199 1.00 31.11 H new ATOM 0 HB2 HIS A 63 10.351 1.681 -0.737 1.00 5.35 H new ATOM 0 HB3 HIS A 63 11.865 1.178 -0.010 1.00 5.35 H new ATOM 0 HD2 HIS A 63 9.819 4.215 -0.647 1.00 41.42 H new ATOM 0 HE1 HIS A 63 13.717 5.786 0.017 1.00 11.22 H new ATOM 0 HE2 HIS A 63 11.221 6.386 -0.091 1.00 23.33 H new ATOM 319 N PRO A 64 12.188 -1.147 -1.930 1.00 62.42 N ATOM 320 CA PRO A 64 11.810 -2.545 -2.070 1.00 52.12 C ATOM 321 C PRO A 64 10.722 -2.894 -1.050 1.00 55.31 C ATOM 322 O PRO A 64 10.697 -2.359 0.066 1.00 55.22 O ATOM 323 CB PRO A 64 13.081 -3.331 -1.764 1.00 45.13 C ATOM 324 CG PRO A 64 13.824 -2.430 -0.790 1.00 33.24 C ATOM 325 CD PRO A 64 13.462 -1.028 -1.246 1.00 52.14 C ATOM 0 HA PRO A 64 11.416 -2.769 -3.061 1.00 52.12 H new ATOM 0 HB2 PRO A 64 12.857 -4.302 -1.323 1.00 45.13 H new ATOM 0 HB3 PRO A 64 13.665 -3.518 -2.665 1.00 45.13 H new ATOM 0 HG2 PRO A 64 13.512 -2.609 0.239 1.00 33.24 H new ATOM 0 HG3 PRO A 64 14.900 -2.599 -0.830 1.00 33.24 H new ATOM 0 HD2 PRO A 64 13.387 -0.349 -0.397 1.00 52.14 H new ATOM 0 HD3 PRO A 64 14.226 -0.624 -1.911 1.00 52.14 H new ATOM 333 N VAL A 65 9.861 -3.849 -1.403 1.00 21.25 N ATOM 334 CA VAL A 65 8.759 -4.312 -0.556 1.00 12.55 C ATOM 335 C VAL A 65 8.693 -5.837 -0.536 1.00 3.50 C ATOM 336 O VAL A 65 9.310 -6.513 -1.369 1.00 23.34 O ATOM 337 CB VAL A 65 7.434 -3.637 -0.972 1.00 4.33 C ATOM 338 CG1 VAL A 65 7.592 -2.116 -1.045 1.00 44.31 C ATOM 339 CG2 VAL A 65 6.857 -4.102 -2.316 1.00 14.04 C ATOM 0 H VAL A 65 9.910 -4.331 -2.300 1.00 21.25 H new ATOM 0 HA VAL A 65 8.943 -4.008 0.475 1.00 12.55 H new ATOM 0 HB VAL A 65 6.736 -3.939 -0.192 1.00 4.33 H new ATOM 0 HG11 VAL A 65 6.644 -1.666 -1.340 1.00 44.31 H new ATOM 0 HG12 VAL A 65 7.887 -1.734 -0.068 1.00 44.31 H new ATOM 0 HG13 VAL A 65 8.357 -1.865 -1.779 1.00 44.31 H new ATOM 0 HG21 VAL A 65 5.928 -3.569 -2.517 1.00 14.04 H new ATOM 0 HG22 VAL A 65 7.573 -3.894 -3.111 1.00 14.04 H new ATOM 0 HG23 VAL A 65 6.660 -5.173 -2.276 1.00 14.04 H new ATOM 349 N THR A 66 8.019 -6.385 0.473 1.00 4.40 N ATOM 350 CA THR A 66 7.843 -7.814 0.646 1.00 14.34 C ATOM 351 C THR A 66 6.359 -8.146 0.777 1.00 2.11 C ATOM 352 O THR A 66 5.557 -7.275 1.116 1.00 54.31 O ATOM 353 CB THR A 66 8.681 -8.293 1.840 1.00 74.22 C ATOM 354 OG1 THR A 66 8.581 -7.404 2.940 1.00 73.52 O ATOM 355 CG2 THR A 66 10.163 -8.422 1.496 1.00 4.24 C ATOM 0 H THR A 66 7.573 -5.831 1.205 1.00 4.40 H new ATOM 0 HA THR A 66 8.203 -8.352 -0.231 1.00 14.34 H new ATOM 0 HB THR A 66 8.276 -9.271 2.100 1.00 74.22 H new ATOM 0 HG1 THR A 66 9.459 -7.308 3.364 1.00 73.52 H new ATOM 0 HG21 THR A 66 10.712 -8.764 2.374 1.00 4.24 H new ATOM 0 HG22 THR A 66 10.287 -9.142 0.687 1.00 4.24 H new ATOM 0 HG23 THR A 66 10.549 -7.453 1.181 1.00 4.24 H new ATOM 363 N THR A 67 6.017 -9.419 0.605 1.00 51.25 N ATOM 364 CA THR A 67 4.676 -9.981 0.691 1.00 40.03 C ATOM 365 C THR A 67 3.959 -9.541 1.980 1.00 11.12 C ATOM 366 O THR A 67 2.799 -9.122 1.948 1.00 33.13 O ATOM 367 CB THR A 67 4.855 -11.512 0.685 1.00 4.31 C ATOM 368 OG1 THR A 67 5.769 -11.951 -0.309 1.00 15.14 O ATOM 369 CG2 THR A 67 3.553 -12.287 0.525 1.00 3.24 C ATOM 0 H THR A 67 6.715 -10.130 0.388 1.00 51.25 H new ATOM 0 HA THR A 67 4.063 -9.636 -0.141 1.00 40.03 H new ATOM 0 HB THR A 67 5.259 -11.729 1.674 1.00 4.31 H new ATOM 0 HG1 THR A 67 5.849 -12.927 -0.271 1.00 15.14 H new ATOM 0 HG21 THR A 67 3.763 -13.357 0.530 1.00 3.24 H new ATOM 0 HG22 THR A 67 2.882 -12.045 1.349 1.00 3.24 H new ATOM 0 HG23 THR A 67 3.081 -12.015 -0.419 1.00 3.24 H new ATOM 377 N GLN A 68 4.674 -9.620 3.109 1.00 22.42 N ATOM 378 CA GLN A 68 4.180 -9.272 4.434 1.00 22.42 C ATOM 379 C GLN A 68 3.791 -7.804 4.547 1.00 21.11 C ATOM 380 O GLN A 68 2.854 -7.485 5.271 1.00 11.30 O ATOM 381 CB GLN A 68 5.238 -9.647 5.483 1.00 32.44 C ATOM 382 CG GLN A 68 6.541 -8.829 5.407 1.00 22.31 C ATOM 383 CD GLN A 68 7.766 -9.702 5.669 1.00 4.51 C ATOM 384 OE1 GLN A 68 7.833 -10.469 6.625 1.00 13.55 O ATOM 385 NE2 GLN A 68 8.780 -9.586 4.834 1.00 12.43 N ATOM 0 H GLN A 68 5.643 -9.939 3.119 1.00 22.42 H new ATOM 0 HA GLN A 68 3.267 -9.840 4.615 1.00 22.42 H new ATOM 0 HB2 GLN A 68 4.805 -9.523 6.476 1.00 32.44 H new ATOM 0 HB3 GLN A 68 5.482 -10.704 5.371 1.00 32.44 H new ATOM 0 HG2 GLN A 68 6.625 -8.368 4.423 1.00 22.31 H new ATOM 0 HG3 GLN A 68 6.507 -8.020 6.136 1.00 22.31 H new ATOM 0 HE21 GLN A 68 8.718 -8.947 4.042 1.00 12.43 H new ATOM 0 HE22 GLN A 68 9.627 -10.136 4.980 1.00 12.43 H new ATOM 394 N MET A 69 4.492 -6.898 3.856 1.00 74.42 N ATOM 395 CA MET A 69 4.132 -5.498 3.937 1.00 74.31 C ATOM 396 C MET A 69 2.738 -5.328 3.320 1.00 11.33 C ATOM 397 O MET A 69 1.892 -4.635 3.890 1.00 64.41 O ATOM 398 CB MET A 69 5.201 -4.662 3.226 1.00 11.24 C ATOM 399 CG MET A 69 6.555 -4.686 3.940 1.00 64.54 C ATOM 400 SD MET A 69 7.910 -3.971 2.971 1.00 12.50 S ATOM 401 CE MET A 69 7.443 -2.217 2.916 1.00 4.25 C ATOM 0 H MET A 69 5.288 -7.110 3.254 1.00 74.42 H new ATOM 0 HA MET A 69 4.090 -5.151 4.969 1.00 74.31 H new ATOM 0 HB2 MET A 69 5.327 -5.033 2.209 1.00 11.24 H new ATOM 0 HB3 MET A 69 4.856 -3.631 3.149 1.00 11.24 H new ATOM 0 HG2 MET A 69 6.468 -4.142 4.881 1.00 64.54 H new ATOM 0 HG3 MET A 69 6.805 -5.717 4.190 1.00 64.54 H new ATOM 0 HE1 MET A 69 8.287 -1.627 2.559 1.00 4.25 H new ATOM 0 HE2 MET A 69 6.597 -2.087 2.241 1.00 4.25 H new ATOM 0 HE3 MET A 69 7.164 -1.883 3.915 1.00 4.25 H new ATOM 411 N VAL A 70 2.493 -5.998 2.185 1.00 32.34 N ATOM 412 CA VAL A 70 1.227 -5.935 1.475 1.00 71.03 C ATOM 413 C VAL A 70 0.089 -6.423 2.359 1.00 62.30 C ATOM 414 O VAL A 70 -0.886 -5.695 2.537 1.00 62.33 O ATOM 415 CB VAL A 70 1.255 -6.714 0.141 1.00 2.41 C ATOM 416 CG1 VAL A 70 0.040 -6.356 -0.715 1.00 72.44 C ATOM 417 CG2 VAL A 70 2.520 -6.490 -0.691 1.00 41.40 C ATOM 0 H VAL A 70 3.182 -6.603 1.737 1.00 32.34 H new ATOM 0 HA VAL A 70 1.056 -4.888 1.226 1.00 71.03 H new ATOM 0 HB VAL A 70 1.239 -7.766 0.426 1.00 2.41 H new ATOM 0 HG11 VAL A 70 0.077 -6.914 -1.650 1.00 72.44 H new ATOM 0 HG12 VAL A 70 -0.873 -6.611 -0.176 1.00 72.44 H new ATOM 0 HG13 VAL A 70 0.048 -5.287 -0.930 1.00 72.44 H new ATOM 0 HG21 VAL A 70 2.459 -7.073 -1.610 1.00 41.40 H new ATOM 0 HG22 VAL A 70 2.611 -5.432 -0.937 1.00 41.40 H new ATOM 0 HG23 VAL A 70 3.392 -6.806 -0.119 1.00 41.40 H new ATOM 427 N GLU A 71 0.190 -7.642 2.899 1.00 53.44 N ATOM 428 CA GLU A 71 -0.896 -8.153 3.732 1.00 3.00 C ATOM 429 C GLU A 71 -1.132 -7.283 4.963 1.00 41.30 C ATOM 430 O GLU A 71 -2.285 -7.091 5.329 1.00 43.51 O ATOM 431 CB GLU A 71 -0.739 -9.626 4.111 1.00 72.01 C ATOM 432 CG GLU A 71 0.662 -10.008 4.532 1.00 14.31 C ATOM 433 CD GLU A 71 0.705 -11.265 5.396 1.00 32.44 C ATOM 434 OE1 GLU A 71 0.515 -12.395 4.872 1.00 71.23 O ATOM 435 OE2 GLU A 71 1.026 -11.139 6.594 1.00 75.41 O ATOM 0 H GLU A 71 0.983 -8.272 2.779 1.00 53.44 H new ATOM 0 HA GLU A 71 -1.787 -8.097 3.107 1.00 3.00 H new ATOM 0 HB2 GLU A 71 -1.427 -9.856 4.924 1.00 72.01 H new ATOM 0 HB3 GLU A 71 -1.032 -10.242 3.261 1.00 72.01 H new ATOM 0 HG2 GLU A 71 1.272 -10.165 3.643 1.00 14.31 H new ATOM 0 HG3 GLU A 71 1.108 -9.180 5.083 1.00 14.31 H new ATOM 442 N THR A 72 -0.103 -6.734 5.605 1.00 50.14 N ATOM 443 CA THR A 72 -0.328 -5.884 6.773 1.00 40.35 C ATOM 444 C THR A 72 -1.185 -4.682 6.373 1.00 75.31 C ATOM 445 O THR A 72 -2.265 -4.543 6.951 1.00 72.41 O ATOM 446 CB THR A 72 0.990 -5.517 7.442 1.00 2.24 C ATOM 447 OG1 THR A 72 1.542 -6.711 7.963 1.00 5.11 O ATOM 448 CG2 THR A 72 0.829 -4.547 8.617 1.00 63.04 C ATOM 0 H THR A 72 0.875 -6.858 5.344 1.00 50.14 H new ATOM 0 HA THR A 72 -0.889 -6.429 7.532 1.00 40.35 H new ATOM 0 HB THR A 72 1.615 -5.031 6.693 1.00 2.24 H new ATOM 0 HG1 THR A 72 2.054 -7.168 7.263 1.00 5.11 H new ATOM 0 HG21 THR A 72 1.807 -4.329 9.046 1.00 63.04 H new ATOM 0 HG22 THR A 72 0.373 -3.622 8.265 1.00 63.04 H new ATOM 0 HG23 THR A 72 0.192 -4.999 9.377 1.00 63.04 H new ATOM 456 N VAL A 73 -0.770 -3.859 5.392 1.00 54.05 N ATOM 457 CA VAL A 73 -1.614 -2.725 4.998 1.00 74.22 C ATOM 458 C VAL A 73 -3.002 -3.258 4.634 1.00 20.23 C ATOM 459 O VAL A 73 -3.990 -2.696 5.073 1.00 12.10 O ATOM 460 CB VAL A 73 -1.045 -1.938 3.811 1.00 74.31 C ATOM 461 CG1 VAL A 73 -1.848 -0.672 3.482 1.00 31.50 C ATOM 462 CG2 VAL A 73 0.400 -1.493 3.995 1.00 11.22 C ATOM 0 H VAL A 73 0.107 -3.953 4.879 1.00 54.05 H new ATOM 0 HA VAL A 73 -1.659 -2.036 5.841 1.00 74.22 H new ATOM 0 HB VAL A 73 -1.110 -2.660 2.997 1.00 74.31 H new ATOM 0 HG11 VAL A 73 -1.392 -0.162 2.633 1.00 31.50 H new ATOM 0 HG12 VAL A 73 -2.873 -0.946 3.233 1.00 31.50 H new ATOM 0 HG13 VAL A 73 -1.850 -0.007 4.346 1.00 31.50 H new ATOM 0 HG21 VAL A 73 0.727 -0.943 3.112 1.00 11.22 H new ATOM 0 HG22 VAL A 73 0.474 -0.849 4.871 1.00 11.22 H new ATOM 0 HG23 VAL A 73 1.035 -2.368 4.133 1.00 11.22 H new ATOM 472 N GLN A 74 -3.101 -4.353 3.880 1.00 50.21 N ATOM 473 CA GLN A 74 -4.376 -4.961 3.484 1.00 43.21 C ATOM 474 C GLN A 74 -5.304 -5.207 4.668 1.00 41.52 C ATOM 475 O GLN A 74 -6.465 -4.807 4.614 1.00 43.52 O ATOM 476 CB GLN A 74 -4.145 -6.248 2.698 1.00 12.45 C ATOM 477 CG GLN A 74 -5.430 -6.817 2.084 1.00 23.22 C ATOM 478 CD GLN A 74 -5.888 -6.043 0.855 1.00 24.22 C ATOM 479 OE1 GLN A 74 -5.553 -6.414 -0.270 1.00 31.01 O ATOM 480 NE2 GLN A 74 -6.626 -4.955 1.007 1.00 41.22 N ATOM 0 H GLN A 74 -2.287 -4.852 3.521 1.00 50.21 H new ATOM 0 HA GLN A 74 -4.878 -4.242 2.837 1.00 43.21 H new ATOM 0 HB2 GLN A 74 -3.424 -6.057 1.904 1.00 12.45 H new ATOM 0 HB3 GLN A 74 -3.703 -6.995 3.357 1.00 12.45 H new ATOM 0 HG2 GLN A 74 -5.267 -7.860 1.811 1.00 23.22 H new ATOM 0 HG3 GLN A 74 -6.222 -6.804 2.833 1.00 23.22 H new ATOM 0 HE21 GLN A 74 -6.901 -4.652 1.941 1.00 41.22 H new ATOM 0 HE22 GLN A 74 -6.920 -4.420 0.190 1.00 41.22 H new ATOM 489 N ASN A 75 -4.804 -5.856 5.717 1.00 12.04 N ATOM 490 CA ASN A 75 -5.588 -6.157 6.906 1.00 55.52 C ATOM 491 C ASN A 75 -6.111 -4.870 7.531 1.00 3.33 C ATOM 492 O ASN A 75 -7.272 -4.791 7.930 1.00 42.30 O ATOM 493 CB ASN A 75 -4.739 -6.845 7.982 1.00 40.14 C ATOM 494 CG ASN A 75 -4.424 -8.306 7.740 1.00 64.45 C ATOM 495 OD1 ASN A 75 -5.256 -9.190 7.924 1.00 34.24 O ATOM 496 ND2 ASN A 75 -3.189 -8.623 7.402 1.00 23.10 N ATOM 0 H ASN A 75 -3.841 -6.188 5.764 1.00 12.04 H new ATOM 0 HA ASN A 75 -6.400 -6.811 6.586 1.00 55.52 H new ATOM 0 HB2 ASN A 75 -3.799 -6.302 8.079 1.00 40.14 H new ATOM 0 HB3 ASN A 75 -5.257 -6.758 8.937 1.00 40.14 H new ATOM 0 HD21 ASN A 75 -2.925 -9.602 7.294 1.00 23.10 H new ATOM 0 HD22 ASN A 75 -2.498 -7.889 7.249 1.00 23.10 H new ATOM 503 N LEU A 76 -5.248 -3.860 7.639 1.00 5.02 N ATOM 504 CA LEU A 76 -5.634 -2.594 8.256 1.00 73.04 C ATOM 505 C LEU A 76 -6.470 -1.713 7.325 1.00 11.23 C ATOM 506 O LEU A 76 -7.257 -0.897 7.801 1.00 15.32 O ATOM 507 CB LEU A 76 -4.386 -1.858 8.772 1.00 5.20 C ATOM 508 CG LEU A 76 -3.449 -2.726 9.648 1.00 54.42 C ATOM 509 CD1 LEU A 76 -2.367 -1.871 10.303 1.00 74.14 C ATOM 510 CD2 LEU A 76 -4.168 -3.534 10.735 1.00 34.22 C ATOM 0 H LEU A 76 -4.283 -3.894 7.309 1.00 5.02 H new ATOM 0 HA LEU A 76 -6.280 -2.822 9.104 1.00 73.04 H new ATOM 0 HB2 LEU A 76 -3.821 -1.483 7.918 1.00 5.20 H new ATOM 0 HB3 LEU A 76 -4.704 -0.990 9.350 1.00 5.20 H new ATOM 0 HG LEU A 76 -3.008 -3.443 8.956 1.00 54.42 H new ATOM 0 HD11 LEU A 76 -1.722 -2.504 10.913 1.00 74.14 H new ATOM 0 HD12 LEU A 76 -1.772 -1.383 9.531 1.00 74.14 H new ATOM 0 HD13 LEU A 76 -2.833 -1.114 10.934 1.00 74.14 H new ATOM 0 HD21 LEU A 76 -3.438 -4.113 11.301 1.00 34.22 H new ATOM 0 HD22 LEU A 76 -4.692 -2.854 11.407 1.00 34.22 H new ATOM 0 HD23 LEU A 76 -4.886 -4.210 10.271 1.00 34.22 H new ATOM 522 N ALA A 77 -6.377 -1.917 6.012 1.00 15.15 N ATOM 523 CA ALA A 77 -7.066 -1.173 4.975 1.00 33.44 C ATOM 524 C ALA A 77 -7.729 -2.159 4.002 1.00 25.04 C ATOM 525 O ALA A 77 -7.269 -2.338 2.867 1.00 44.23 O ATOM 526 CB ALA A 77 -6.050 -0.229 4.332 1.00 3.35 C ATOM 0 H ALA A 77 -5.782 -2.651 5.628 1.00 15.15 H new ATOM 0 HA ALA A 77 -7.877 -0.557 5.364 1.00 33.44 H new ATOM 0 HB1 ALA A 77 -6.536 0.348 3.545 1.00 3.35 H new ATOM 0 HB2 ALA A 77 -5.655 0.450 5.088 1.00 3.35 H new ATOM 0 HB3 ALA A 77 -5.233 -0.810 3.904 1.00 3.35 H new ATOM 532 N PRO A 78 -8.843 -2.785 4.410 1.00 73.13 N ATOM 533 CA PRO A 78 -9.563 -3.763 3.596 1.00 52.53 C ATOM 534 C PRO A 78 -10.210 -3.176 2.338 1.00 60.42 C ATOM 535 O PRO A 78 -10.516 -3.909 1.402 1.00 12.33 O ATOM 536 CB PRO A 78 -10.622 -4.342 4.540 1.00 14.43 C ATOM 537 CG PRO A 78 -10.855 -3.242 5.569 1.00 73.22 C ATOM 538 CD PRO A 78 -9.470 -2.643 5.715 1.00 33.02 C ATOM 0 HA PRO A 78 -8.873 -4.512 3.206 1.00 52.53 H new ATOM 0 HB2 PRO A 78 -11.540 -4.587 4.005 1.00 14.43 H new ATOM 0 HB3 PRO A 78 -10.274 -5.261 5.012 1.00 14.43 H new ATOM 0 HG2 PRO A 78 -11.582 -2.507 5.223 1.00 73.22 H new ATOM 0 HG3 PRO A 78 -11.228 -3.639 6.513 1.00 73.22 H new ATOM 0 HD2 PRO A 78 -9.525 -1.596 6.011 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -8.897 -3.162 6.484 1.00 33.02 H new ATOM 546 N ASN A 79 -10.391 -1.855 2.275 1.00 4.25 N ATOM 547 CA ASN A 79 -11.011 -1.180 1.139 1.00 62.33 C ATOM 548 C ASN A 79 -10.025 -0.910 -0.008 1.00 71.44 C ATOM 549 O ASN A 79 -10.352 -0.147 -0.920 1.00 42.32 O ATOM 550 CB ASN A 79 -11.728 0.090 1.634 1.00 44.25 C ATOM 551 CG ASN A 79 -13.025 0.315 0.867 1.00 13.54 C ATOM 552 OD1 ASN A 79 -14.112 0.176 1.423 1.00 45.55 O ATOM 553 ND2 ASN A 79 -12.947 0.615 -0.412 1.00 35.11 N ATOM 0 H ASN A 79 -10.107 -1.220 3.021 1.00 4.25 H new ATOM 0 HA ASN A 79 -11.755 -1.846 0.702 1.00 62.33 H new ATOM 0 HB2 ASN A 79 -11.941 0.000 2.699 1.00 44.25 H new ATOM 0 HB3 ASN A 79 -11.074 0.953 1.511 1.00 44.25 H new ATOM 0 HD21 ASN A 79 -13.799 0.736 -0.960 1.00 35.11 H new ATOM 0 HD22 ASN A 79 -12.035 0.726 -0.855 1.00 35.11 H new ATOM 560 N LEU A 80 -8.811 -1.469 0.031 1.00 34.12 N ATOM 561 CA LEU A 80 -7.788 -1.272 -1.000 1.00 41.04 C ATOM 562 C LEU A 80 -7.494 -2.550 -1.783 1.00 62.12 C ATOM 563 O LEU A 80 -7.702 -3.669 -1.297 1.00 25.43 O ATOM 564 CB LEU A 80 -6.491 -0.794 -0.335 1.00 70.53 C ATOM 565 CG LEU A 80 -6.461 0.680 0.107 1.00 35.05 C ATOM 566 CD1 LEU A 80 -5.041 0.998 0.588 1.00 24.44 C ATOM 567 CD2 LEU A 80 -6.844 1.665 -1.009 1.00 42.13 C ATOM 0 H LEU A 80 -8.508 -2.079 0.790 1.00 34.12 H new ATOM 0 HA LEU A 80 -8.170 -0.531 -1.702 1.00 41.04 H new ATOM 0 HB2 LEU A 80 -6.303 -1.418 0.539 1.00 70.53 H new ATOM 0 HB3 LEU A 80 -5.668 -0.961 -1.029 1.00 70.53 H new ATOM 0 HG LEU A 80 -7.203 0.803 0.896 1.00 35.05 H new ATOM 0 HD11 LEU A 80 -4.990 2.039 0.908 1.00 24.44 H new ATOM 0 HD12 LEU A 80 -4.786 0.348 1.425 1.00 24.44 H new ATOM 0 HD13 LEU A 80 -4.336 0.834 -0.227 1.00 24.44 H new ATOM 0 HD21 LEU A 80 -6.801 2.684 -0.625 1.00 42.13 H new ATOM 0 HD22 LEU A 80 -6.148 1.561 -1.841 1.00 42.13 H new ATOM 0 HD23 LEU A 80 -7.855 1.449 -1.353 1.00 42.13 H new ATOM 579 N HIS A 81 -6.992 -2.369 -3.007 1.00 70.00 N ATOM 580 CA HIS A 81 -6.627 -3.457 -3.900 1.00 51.34 C ATOM 581 C HIS A 81 -5.244 -3.982 -3.493 1.00 22.13 C ATOM 582 O HIS A 81 -4.389 -3.181 -3.096 1.00 75.54 O ATOM 583 CB HIS A 81 -6.580 -2.905 -5.321 1.00 54.35 C ATOM 584 CG HIS A 81 -6.523 -3.948 -6.384 1.00 12.35 C ATOM 585 ND1 HIS A 81 -5.344 -4.486 -6.869 1.00 73.14 N ATOM 586 CD2 HIS A 81 -7.590 -4.551 -6.978 1.00 31.12 C ATOM 587 CE1 HIS A 81 -5.719 -5.406 -7.769 1.00 50.14 C ATOM 588 NE2 HIS A 81 -7.057 -5.460 -7.859 1.00 44.20 N ATOM 0 H HIS A 81 -6.827 -1.445 -3.406 1.00 70.00 H new ATOM 0 HA HIS A 81 -7.349 -4.271 -3.845 1.00 51.34 H new ATOM 0 HB2 HIS A 81 -7.460 -2.283 -5.486 1.00 54.35 H new ATOM 0 HB3 HIS A 81 -5.709 -2.257 -5.418 1.00 54.35 H new ATOM 0 HD2 HIS A 81 -8.636 -4.355 -6.795 1.00 31.12 H new ATOM 0 HE1 HIS A 81 -5.039 -6.019 -8.342 1.00 50.14 H new ATOM 0 HE2 HIS A 81 -7.588 -6.073 -8.477 1.00 44.20 H new ATOM 596 N PRO A 82 -4.969 -5.290 -3.615 1.00 54.32 N ATOM 597 CA PRO A 82 -3.691 -5.874 -3.240 1.00 42.24 C ATOM 598 C PRO A 82 -2.520 -5.339 -4.066 1.00 72.23 C ATOM 599 O PRO A 82 -1.402 -5.238 -3.555 1.00 23.02 O ATOM 600 CB PRO A 82 -3.871 -7.389 -3.373 1.00 74.54 C ATOM 601 CG PRO A 82 -5.060 -7.560 -4.310 1.00 3.51 C ATOM 602 CD PRO A 82 -5.886 -6.307 -4.083 1.00 45.11 C ATOM 0 HA PRO A 82 -3.425 -5.599 -2.219 1.00 42.24 H new ATOM 0 HB2 PRO A 82 -2.976 -7.859 -3.780 1.00 74.54 H new ATOM 0 HB3 PRO A 82 -4.061 -7.851 -2.404 1.00 74.54 H new ATOM 0 HG2 PRO A 82 -4.741 -7.646 -5.349 1.00 3.51 H new ATOM 0 HG3 PRO A 82 -5.627 -8.461 -4.075 1.00 3.51 H new ATOM 0 HD2 PRO A 82 -6.376 -5.993 -5.005 1.00 45.11 H new ATOM 0 HD3 PRO A 82 -6.672 -6.488 -3.350 1.00 45.11 H new ATOM 610 N GLU A 83 -2.762 -4.963 -5.322 1.00 62.01 N ATOM 611 CA GLU A 83 -1.708 -4.468 -6.194 1.00 54.15 C ATOM 612 C GLU A 83 -1.392 -3.008 -5.858 1.00 20.11 C ATOM 613 O GLU A 83 -0.219 -2.625 -5.853 1.00 12.41 O ATOM 614 CB GLU A 83 -2.116 -4.665 -7.666 1.00 51.15 C ATOM 615 CG GLU A 83 -1.290 -5.701 -8.440 1.00 33.32 C ATOM 616 CD GLU A 83 -1.596 -7.177 -8.125 1.00 42.12 C ATOM 617 OE1 GLU A 83 -2.260 -7.513 -7.115 1.00 34.13 O ATOM 618 OE2 GLU A 83 -1.163 -8.035 -8.923 1.00 24.24 O ATOM 0 H GLU A 83 -3.685 -4.994 -5.756 1.00 62.01 H new ATOM 0 HA GLU A 83 -0.792 -5.036 -6.034 1.00 54.15 H new ATOM 0 HB2 GLU A 83 -3.164 -4.962 -7.699 1.00 51.15 H new ATOM 0 HB3 GLU A 83 -2.040 -3.706 -8.179 1.00 51.15 H new ATOM 0 HG2 GLU A 83 -1.445 -5.538 -9.506 1.00 33.32 H new ATOM 0 HG3 GLU A 83 -0.234 -5.518 -8.240 1.00 33.32 H new ATOM 625 N GLN A 84 -2.408 -2.187 -5.553 1.00 62.24 N ATOM 626 CA GLN A 84 -2.194 -0.781 -5.207 1.00 64.35 C ATOM 627 C GLN A 84 -1.298 -0.692 -3.989 1.00 42.13 C ATOM 628 O GLN A 84 -0.338 0.071 -4.003 1.00 1.22 O ATOM 629 CB GLN A 84 -3.484 -0.074 -4.806 1.00 45.31 C ATOM 630 CG GLN A 84 -4.474 0.153 -5.937 1.00 20.11 C ATOM 631 CD GLN A 84 -5.750 0.754 -5.354 1.00 44.53 C ATOM 632 OE1 GLN A 84 -6.531 0.098 -4.671 1.00 24.55 O ATOM 633 NE2 GLN A 84 -5.910 2.046 -5.551 1.00 64.41 N ATOM 0 H GLN A 84 -3.386 -2.477 -5.540 1.00 62.24 H new ATOM 0 HA GLN A 84 -1.766 -0.313 -6.094 1.00 64.35 H new ATOM 0 HB2 GLN A 84 -3.974 -0.659 -4.027 1.00 45.31 H new ATOM 0 HB3 GLN A 84 -3.230 0.891 -4.367 1.00 45.31 H new ATOM 0 HG2 GLN A 84 -4.048 0.822 -6.684 1.00 20.11 H new ATOM 0 HG3 GLN A 84 -4.695 -0.788 -6.441 1.00 20.11 H new ATOM 0 HE21 GLN A 84 -5.242 2.561 -6.124 1.00 64.41 H new ATOM 0 HE22 GLN A 84 -6.702 2.532 -5.130 1.00 64.41 H new ATOM 642 N ILE A 85 -1.623 -1.470 -2.948 1.00 45.04 N ATOM 643 CA ILE A 85 -0.881 -1.509 -1.699 1.00 73.24 C ATOM 644 C ILE A 85 0.585 -1.679 -2.037 1.00 32.12 C ATOM 645 O ILE A 85 1.389 -0.831 -1.687 1.00 32.52 O ATOM 646 CB ILE A 85 -1.389 -2.655 -0.818 1.00 13.11 C ATOM 647 CG1 ILE A 85 -2.820 -2.397 -0.333 1.00 51.11 C ATOM 648 CG2 ILE A 85 -0.464 -2.847 0.388 1.00 13.32 C ATOM 649 CD1 ILE A 85 -3.462 -3.704 0.120 1.00 14.01 C ATOM 0 H ILE A 85 -2.426 -2.099 -2.959 1.00 45.04 H new ATOM 0 HA ILE A 85 -1.021 -0.586 -1.137 1.00 73.24 H new ATOM 0 HB ILE A 85 -1.391 -3.561 -1.424 1.00 13.11 H new ATOM 0 HG12 ILE A 85 -2.810 -1.683 0.490 1.00 51.11 H new ATOM 0 HG13 ILE A 85 -3.409 -1.952 -1.134 1.00 51.11 H new ATOM 0 HG21 ILE A 85 -0.836 -3.664 1.006 1.00 13.32 H new ATOM 0 HG22 ILE A 85 0.542 -3.084 0.041 1.00 13.32 H new ATOM 0 HG23 ILE A 85 -0.438 -1.930 0.977 1.00 13.32 H new ATOM 0 HD11 ILE A 85 -4.478 -3.510 0.463 1.00 14.01 H new ATOM 0 HD12 ILE A 85 -3.488 -4.405 -0.714 1.00 14.01 H new ATOM 0 HD13 ILE A 85 -2.879 -4.132 0.936 1.00 14.01 H new ATOM 661 N ARG A 86 0.934 -2.754 -2.737 1.00 65.22 N ATOM 662 CA ARG A 86 2.295 -3.041 -3.148 1.00 75.34 C ATOM 663 C ARG A 86 2.986 -1.811 -3.776 1.00 43.14 C ATOM 664 O ARG A 86 4.065 -1.424 -3.327 1.00 15.34 O ATOM 665 CB ARG A 86 2.201 -4.305 -4.014 1.00 34.15 C ATOM 666 CG ARG A 86 3.517 -4.628 -4.697 1.00 44.22 C ATOM 667 CD ARG A 86 3.572 -4.017 -6.099 1.00 32.24 C ATOM 668 NE ARG A 86 4.949 -3.668 -6.404 1.00 30.50 N ATOM 669 CZ ARG A 86 5.932 -4.580 -6.545 1.00 55.42 C ATOM 670 NH1 ARG A 86 5.689 -5.889 -6.526 1.00 52.41 N ATOM 671 NH2 ARG A 86 7.193 -4.218 -6.676 1.00 11.32 N ATOM 0 H ARG A 86 0.263 -3.460 -3.038 1.00 65.22 H new ATOM 0 HA ARG A 86 2.965 -3.248 -2.314 1.00 75.34 H new ATOM 0 HB2 ARG A 86 1.899 -5.148 -3.393 1.00 34.15 H new ATOM 0 HB3 ARG A 86 1.425 -4.171 -4.768 1.00 34.15 H new ATOM 0 HG2 ARG A 86 4.345 -4.248 -4.098 1.00 44.22 H new ATOM 0 HG3 ARG A 86 3.641 -5.709 -4.762 1.00 44.22 H new ATOM 0 HD2 ARG A 86 3.190 -4.725 -6.835 1.00 32.24 H new ATOM 0 HD3 ARG A 86 2.938 -3.132 -6.150 1.00 32.24 H new ATOM 0 HE ARG A 86 5.184 -2.682 -6.517 1.00 30.50 H new ATOM 0 HH11 ARG A 86 4.735 -6.229 -6.402 1.00 52.41 H new ATOM 0 HH12 ARG A 86 6.456 -6.552 -6.636 1.00 52.41 H new ATOM 0 HH21 ARG A 86 7.443 -3.229 -6.672 1.00 11.32 H new ATOM 0 HH22 ARG A 86 7.919 -4.927 -6.781 1.00 11.32 H new ATOM 685 N TYR A 87 2.386 -1.152 -4.772 1.00 22.34 N ATOM 686 CA TYR A 87 3.021 0.018 -5.389 1.00 3.54 C ATOM 687 C TYR A 87 3.145 1.180 -4.403 1.00 21.42 C ATOM 688 O TYR A 87 4.082 1.981 -4.452 1.00 54.05 O ATOM 689 CB TYR A 87 2.189 0.477 -6.591 1.00 21.14 C ATOM 690 CG TYR A 87 2.839 1.524 -7.489 1.00 54.24 C ATOM 691 CD1 TYR A 87 4.188 1.410 -7.887 1.00 14.22 C ATOM 692 CD2 TYR A 87 2.066 2.593 -7.979 1.00 22.04 C ATOM 693 CE1 TYR A 87 4.763 2.366 -8.744 1.00 54.30 C ATOM 694 CE2 TYR A 87 2.631 3.547 -8.843 1.00 64.22 C ATOM 695 CZ TYR A 87 3.985 3.444 -9.226 1.00 51.34 C ATOM 696 OH TYR A 87 4.522 4.395 -10.040 1.00 13.44 O ATOM 0 H TYR A 87 1.478 -1.402 -5.163 1.00 22.34 H new ATOM 0 HA TYR A 87 4.023 -0.275 -5.703 1.00 3.54 H new ATOM 0 HB2 TYR A 87 1.950 -0.396 -7.198 1.00 21.14 H new ATOM 0 HB3 TYR A 87 1.244 0.878 -6.223 1.00 21.14 H new ATOM 0 HD1 TYR A 87 4.784 0.582 -7.531 1.00 14.22 H new ATOM 0 HD2 TYR A 87 1.030 2.681 -7.689 1.00 22.04 H new ATOM 0 HE1 TYR A 87 5.799 2.277 -9.034 1.00 54.30 H new ATOM 0 HE2 TYR A 87 2.027 4.361 -9.215 1.00 64.22 H new ATOM 0 HH TYR A 87 3.835 5.055 -10.270 1.00 13.44 H new ATOM 706 N SER A 88 2.165 1.290 -3.521 1.00 40.21 N ATOM 707 CA SER A 88 2.107 2.343 -2.513 1.00 23.35 C ATOM 708 C SER A 88 3.285 2.131 -1.572 1.00 23.21 C ATOM 709 O SER A 88 4.043 3.058 -1.305 1.00 45.44 O ATOM 710 CB SER A 88 0.749 2.345 -1.801 1.00 33.35 C ATOM 711 OG SER A 88 0.489 3.604 -1.213 1.00 42.31 O ATOM 0 H SER A 88 1.377 0.644 -3.482 1.00 40.21 H new ATOM 0 HA SER A 88 2.190 3.332 -2.963 1.00 23.35 H new ATOM 0 HB2 SER A 88 -0.040 2.102 -2.513 1.00 33.35 H new ATOM 0 HB3 SER A 88 0.735 1.571 -1.034 1.00 33.35 H new ATOM 0 HG SER A 88 -0.436 3.629 -0.890 1.00 42.31 H new ATOM 717 N LEU A 89 3.498 0.889 -1.141 1.00 24.45 N ATOM 718 CA LEU A 89 4.578 0.479 -0.268 1.00 61.21 C ATOM 719 C LEU A 89 5.907 0.808 -0.932 1.00 74.43 C ATOM 720 O LEU A 89 6.838 1.195 -0.240 1.00 22.44 O ATOM 721 CB LEU A 89 4.497 -1.024 0.007 1.00 20.34 C ATOM 722 CG LEU A 89 3.319 -1.466 0.870 1.00 1.41 C ATOM 723 CD1 LEU A 89 3.198 -2.981 0.801 1.00 40.14 C ATOM 724 CD2 LEU A 89 3.517 -1.035 2.308 1.00 53.25 C ATOM 0 H LEU A 89 2.892 0.113 -1.407 1.00 24.45 H new ATOM 0 HA LEU A 89 4.496 1.011 0.680 1.00 61.21 H new ATOM 0 HB2 LEU A 89 4.445 -1.549 -0.947 1.00 20.34 H new ATOM 0 HB3 LEU A 89 5.421 -1.338 0.493 1.00 20.34 H new ATOM 0 HG LEU A 89 2.408 -1.000 0.495 1.00 1.41 H new ATOM 0 HD11 LEU A 89 2.358 -3.307 1.415 1.00 40.14 H new ATOM 0 HD12 LEU A 89 3.032 -3.286 -0.232 1.00 40.14 H new ATOM 0 HD13 LEU A 89 4.117 -3.437 1.171 1.00 40.14 H new ATOM 0 HD21 LEU A 89 2.666 -1.360 2.906 1.00 53.25 H new ATOM 0 HD22 LEU A 89 4.429 -1.485 2.700 1.00 53.25 H new ATOM 0 HD23 LEU A 89 3.599 0.051 2.354 1.00 53.25 H new ATOM 736 N GLU A 90 6.016 0.670 -2.258 1.00 51.44 N ATOM 737 CA GLU A 90 7.278 0.985 -2.924 1.00 45.03 C ATOM 738 C GLU A 90 7.557 2.482 -2.920 1.00 2.01 C ATOM 739 O GLU A 90 8.705 2.903 -2.796 1.00 71.11 O ATOM 740 CB GLU A 90 7.243 0.553 -4.388 1.00 45.52 C ATOM 741 CG GLU A 90 7.307 -0.954 -4.566 1.00 34.01 C ATOM 742 CD GLU A 90 7.271 -1.275 -6.048 1.00 53.42 C ATOM 743 OE1 GLU A 90 6.183 -1.237 -6.668 1.00 61.50 O ATOM 744 OE2 GLU A 90 8.311 -1.671 -6.613 1.00 60.34 O ATOM 0 H GLU A 90 5.268 0.352 -2.874 1.00 51.44 H new ATOM 0 HA GLU A 90 8.052 0.451 -2.373 1.00 45.03 H new ATOM 0 HB2 GLU A 90 6.330 0.929 -4.850 1.00 45.52 H new ATOM 0 HB3 GLU A 90 8.079 1.011 -4.916 1.00 45.52 H new ATOM 0 HG2 GLU A 90 8.218 -1.348 -4.117 1.00 34.01 H new ATOM 0 HG3 GLU A 90 6.469 -1.430 -4.057 1.00 34.01 H new ATOM 751 N ASN A 91 6.519 3.295 -3.102 1.00 61.31 N ATOM 752 CA ASN A 91 6.678 4.740 -3.145 1.00 1.12 C ATOM 753 C ASN A 91 6.893 5.336 -1.756 1.00 53.15 C ATOM 754 O ASN A 91 7.772 6.177 -1.584 1.00 31.24 O ATOM 755 CB ASN A 91 5.481 5.381 -3.844 1.00 71.40 C ATOM 756 CG ASN A 91 5.560 5.225 -5.357 1.00 34.12 C ATOM 757 OD1 ASN A 91 6.145 6.043 -6.057 1.00 34.44 O ATOM 758 ND2 ASN A 91 5.039 4.141 -5.903 1.00 10.43 N ATOM 0 H ASN A 91 5.558 2.973 -3.222 1.00 61.31 H new ATOM 0 HA ASN A 91 7.577 4.959 -3.721 1.00 1.12 H new ATOM 0 HB2 ASN A 91 4.560 4.926 -3.479 1.00 71.40 H new ATOM 0 HB3 ASN A 91 5.436 6.440 -3.590 1.00 71.40 H new ATOM 0 HD21 ASN A 91 5.124 3.985 -6.907 1.00 10.43 H new ATOM 0 HD22 ASN A 91 4.552 3.460 -5.320 1.00 10.43 H new ATOM 765 N THR A 92 6.099 4.924 -0.767 1.00 73.42 N ATOM 766 CA THR A 92 6.182 5.397 0.609 1.00 54.02 C ATOM 767 C THR A 92 7.401 4.797 1.326 1.00 75.31 C ATOM 768 O THR A 92 8.113 5.481 2.059 1.00 22.10 O ATOM 769 CB THR A 92 4.892 4.971 1.335 1.00 12.23 C ATOM 770 OG1 THR A 92 4.768 3.566 1.323 1.00 62.23 O ATOM 771 CG2 THR A 92 3.612 5.537 0.722 1.00 51.44 C ATOM 0 H THR A 92 5.362 4.233 -0.908 1.00 73.42 H new ATOM 0 HA THR A 92 6.292 6.481 0.616 1.00 54.02 H new ATOM 0 HB THR A 92 4.993 5.371 2.344 1.00 12.23 H new ATOM 0 HG1 THR A 92 3.905 3.310 1.711 1.00 62.23 H new ATOM 0 HG21 THR A 92 2.751 5.189 1.292 1.00 51.44 H new ATOM 0 HG22 THR A 92 3.648 6.626 0.747 1.00 51.44 H new ATOM 0 HG23 THR A 92 3.523 5.200 -0.311 1.00 51.44 H new ATOM 779 N GLY A 93 7.670 3.514 1.091 1.00 74.43 N ATOM 780 CA GLY A 93 8.747 2.713 1.647 1.00 5.20 C ATOM 781 C GLY A 93 8.368 1.944 2.910 1.00 62.21 C ATOM 782 O GLY A 93 9.118 1.026 3.265 1.00 35.40 O ATOM 0 H GLY A 93 7.090 2.968 0.454 1.00 74.43 H new ATOM 0 HA2 GLY A 93 9.085 2.004 0.891 1.00 5.20 H new ATOM 0 HA3 GLY A 93 9.591 3.365 1.872 1.00 5.20 H new ATOM 786 N SER A 94 7.237 2.246 3.561 1.00 64.43 N ATOM 787 CA SER A 94 6.808 1.589 4.786 1.00 61.54 C ATOM 788 C SER A 94 5.297 1.412 4.839 1.00 32.43 C ATOM 789 O SER A 94 4.508 2.184 4.289 1.00 31.03 O ATOM 790 CB SER A 94 7.347 2.378 5.981 1.00 50.21 C ATOM 791 OG SER A 94 8.756 2.267 6.011 1.00 31.13 O ATOM 0 H SER A 94 6.590 2.966 3.240 1.00 64.43 H new ATOM 0 HA SER A 94 7.218 0.579 4.817 1.00 61.54 H new ATOM 0 HB2 SER A 94 7.054 3.425 5.903 1.00 50.21 H new ATOM 0 HB3 SER A 94 6.920 1.995 6.908 1.00 50.21 H new ATOM 0 HG SER A 94 9.108 2.772 6.774 1.00 31.13 H new ATOM 797 N VAL A 95 4.912 0.327 5.499 1.00 54.10 N ATOM 798 CA VAL A 95 3.539 -0.092 5.732 1.00 64.12 C ATOM 799 C VAL A 95 2.844 1.016 6.505 1.00 2.44 C ATOM 800 O VAL A 95 1.778 1.463 6.103 1.00 53.24 O ATOM 801 CB VAL A 95 3.545 -1.405 6.543 1.00 35.33 C ATOM 802 CG1 VAL A 95 2.172 -1.894 7.011 1.00 21.34 C ATOM 803 CG2 VAL A 95 4.207 -2.547 5.773 1.00 64.53 C ATOM 0 H VAL A 95 5.588 -0.318 5.908 1.00 54.10 H new ATOM 0 HA VAL A 95 3.013 -0.271 4.794 1.00 64.12 H new ATOM 0 HB VAL A 95 4.119 -1.140 7.431 1.00 35.33 H new ATOM 0 HG11 VAL A 95 2.288 -2.822 7.571 1.00 21.34 H new ATOM 0 HG12 VAL A 95 1.715 -1.139 7.651 1.00 21.34 H new ATOM 0 HG13 VAL A 95 1.534 -2.070 6.145 1.00 21.34 H new ATOM 0 HG21 VAL A 95 4.190 -3.453 6.379 1.00 64.53 H new ATOM 0 HG22 VAL A 95 3.664 -2.722 4.844 1.00 64.53 H new ATOM 0 HG23 VAL A 95 5.239 -2.282 5.545 1.00 64.53 H new ATOM 813 N GLU A 96 3.487 1.489 7.567 1.00 12.14 N ATOM 814 CA GLU A 96 3.004 2.523 8.450 1.00 41.52 C ATOM 815 C GLU A 96 2.571 3.766 7.682 1.00 1.21 C ATOM 816 O GLU A 96 1.460 4.237 7.895 1.00 32.33 O ATOM 817 CB GLU A 96 4.082 2.772 9.514 1.00 54.53 C ATOM 818 CG GLU A 96 5.300 3.552 9.009 1.00 54.31 C ATOM 819 CD GLU A 96 6.515 3.329 9.899 1.00 65.53 C ATOM 820 OE1 GLU A 96 7.069 2.206 9.855 1.00 74.31 O ATOM 821 OE2 GLU A 96 7.004 4.286 10.540 1.00 73.43 O ATOM 0 H GLU A 96 4.405 1.138 7.842 1.00 12.14 H new ATOM 0 HA GLU A 96 2.094 2.207 8.961 1.00 41.52 H new ATOM 0 HB2 GLU A 96 3.636 3.317 10.346 1.00 54.53 H new ATOM 0 HB3 GLU A 96 4.417 1.812 9.906 1.00 54.53 H new ATOM 0 HG2 GLU A 96 5.533 3.244 7.990 1.00 54.31 H new ATOM 0 HG3 GLU A 96 5.063 4.615 8.975 1.00 54.31 H new ATOM 828 N GLU A 97 3.397 4.252 6.751 1.00 63.12 N ATOM 829 CA GLU A 97 3.068 5.438 5.967 1.00 50.44 C ATOM 830 C GLU A 97 1.859 5.115 5.097 1.00 42.32 C ATOM 831 O GLU A 97 0.943 5.921 5.004 1.00 33.11 O ATOM 832 CB GLU A 97 4.270 5.889 5.119 1.00 70.45 C ATOM 833 CG GLU A 97 3.969 7.091 4.194 1.00 30.12 C ATOM 834 CD GLU A 97 3.415 8.337 4.906 1.00 75.20 C ATOM 835 OE1 GLU A 97 3.990 8.786 5.920 1.00 31.41 O ATOM 836 OE2 GLU A 97 2.419 8.923 4.411 1.00 44.14 O ATOM 0 H GLU A 97 4.301 3.838 6.524 1.00 63.12 H new ATOM 0 HA GLU A 97 2.826 6.268 6.631 1.00 50.44 H new ATOM 0 HB2 GLU A 97 5.093 6.152 5.784 1.00 70.45 H new ATOM 0 HB3 GLU A 97 4.608 5.050 4.510 1.00 70.45 H new ATOM 0 HG2 GLU A 97 4.885 7.367 3.672 1.00 30.12 H new ATOM 0 HG3 GLU A 97 3.252 6.776 3.435 1.00 30.12 H new ATOM 843 N THR A 98 1.842 3.936 4.475 1.00 24.24 N ATOM 844 CA THR A 98 0.762 3.475 3.617 1.00 62.12 C ATOM 845 C THR A 98 -0.579 3.415 4.374 1.00 74.31 C ATOM 846 O THR A 98 -1.631 3.789 3.847 1.00 12.20 O ATOM 847 CB THR A 98 1.169 2.141 2.983 1.00 61.45 C ATOM 848 OG1 THR A 98 2.421 2.267 2.343 1.00 33.12 O ATOM 849 CG2 THR A 98 0.205 1.742 1.875 1.00 51.12 C ATOM 0 H THR A 98 2.602 3.261 4.559 1.00 24.24 H new ATOM 0 HA THR A 98 0.595 4.190 2.812 1.00 62.12 H new ATOM 0 HB THR A 98 1.182 1.408 3.789 1.00 61.45 H new ATOM 0 HG1 THR A 98 3.138 2.128 2.997 1.00 33.12 H new ATOM 0 HG21 THR A 98 0.519 0.792 1.444 1.00 51.12 H new ATOM 0 HG22 THR A 98 -0.799 1.639 2.286 1.00 51.12 H new ATOM 0 HG23 THR A 98 0.204 2.509 1.100 1.00 51.12 H new ATOM 857 N VAL A 99 -0.560 2.962 5.618 1.00 52.43 N ATOM 858 CA VAL A 99 -1.761 2.875 6.432 1.00 21.25 C ATOM 859 C VAL A 99 -2.147 4.284 6.883 1.00 71.50 C ATOM 860 O VAL A 99 -3.332 4.599 6.838 1.00 32.34 O ATOM 861 CB VAL A 99 -1.558 1.889 7.600 1.00 70.11 C ATOM 862 CG1 VAL A 99 -2.791 1.813 8.513 1.00 23.10 C ATOM 863 CG2 VAL A 99 -1.317 0.469 7.068 1.00 4.42 C ATOM 0 H VAL A 99 0.287 2.645 6.090 1.00 52.43 H new ATOM 0 HA VAL A 99 -2.592 2.472 5.852 1.00 21.25 H new ATOM 0 HB VAL A 99 -0.700 2.258 8.162 1.00 70.11 H new ATOM 0 HG11 VAL A 99 -2.602 1.107 9.321 1.00 23.10 H new ATOM 0 HG12 VAL A 99 -2.994 2.798 8.932 1.00 23.10 H new ATOM 0 HG13 VAL A 99 -3.652 1.480 7.934 1.00 23.10 H new ATOM 0 HG21 VAL A 99 -1.176 -0.214 7.905 1.00 4.42 H new ATOM 0 HG22 VAL A 99 -2.178 0.150 6.480 1.00 4.42 H new ATOM 0 HG23 VAL A 99 -0.426 0.462 6.440 1.00 4.42 H new ATOM 873 N GLU A 100 -1.179 5.129 7.254 1.00 2.34 N ATOM 874 CA GLU A 100 -1.369 6.501 7.728 1.00 11.32 C ATOM 875 C GLU A 100 -1.996 7.375 6.649 1.00 43.14 C ATOM 876 O GLU A 100 -2.785 8.263 6.968 1.00 41.13 O ATOM 877 CB GLU A 100 -0.030 7.095 8.204 1.00 33.04 C ATOM 878 CG GLU A 100 0.363 6.648 9.629 1.00 42.13 C ATOM 879 CD GLU A 100 -0.160 7.542 10.766 1.00 71.03 C ATOM 880 OE1 GLU A 100 -0.752 8.622 10.516 1.00 43.22 O ATOM 881 OE2 GLU A 100 0.118 7.230 11.946 1.00 53.33 O ATOM 0 H GLU A 100 -0.195 4.860 7.230 1.00 2.34 H new ATOM 0 HA GLU A 100 -2.056 6.475 8.574 1.00 11.32 H new ATOM 0 HB2 GLU A 100 0.757 6.803 7.509 1.00 33.04 H new ATOM 0 HB3 GLU A 100 -0.092 8.183 8.176 1.00 33.04 H new ATOM 0 HG2 GLU A 100 -0.004 5.634 9.788 1.00 42.13 H new ATOM 0 HG3 GLU A 100 1.450 6.607 9.692 1.00 42.13 H new ATOM 888 N ARG A 101 -1.662 7.154 5.376 1.00 25.31 N ATOM 889 CA ARG A 101 -2.214 7.919 4.261 1.00 64.24 C ATOM 890 C ARG A 101 -3.600 7.380 3.920 1.00 11.05 C ATOM 891 O ARG A 101 -4.528 8.148 3.666 1.00 51.31 O ATOM 892 CB ARG A 101 -1.238 7.891 3.076 1.00 12.41 C ATOM 893 CG ARG A 101 -0.936 6.486 2.557 1.00 51.13 C ATOM 894 CD ARG A 101 0.263 6.419 1.620 1.00 14.15 C ATOM 895 NE ARG A 101 0.130 7.424 0.580 1.00 40.24 N ATOM 896 CZ ARG A 101 -0.638 7.382 -0.506 1.00 73.35 C ATOM 897 NH1 ARG A 101 -1.265 6.274 -0.864 1.00 43.22 N ATOM 898 NH2 ARG A 101 -0.785 8.468 -1.247 1.00 2.13 N ATOM 0 H ARG A 101 -0.997 6.435 5.090 1.00 25.31 H new ATOM 0 HA ARG A 101 -2.337 8.967 4.533 1.00 64.24 H new ATOM 0 HB2 ARG A 101 -1.652 8.487 2.263 1.00 12.41 H new ATOM 0 HB3 ARG A 101 -0.304 8.366 3.376 1.00 12.41 H new ATOM 0 HG2 ARG A 101 -0.759 5.826 3.406 1.00 51.13 H new ATOM 0 HG3 ARG A 101 -1.814 6.105 2.035 1.00 51.13 H new ATOM 0 HD2 ARG A 101 1.184 6.582 2.180 1.00 14.15 H new ATOM 0 HD3 ARG A 101 0.332 5.427 1.173 1.00 14.15 H new ATOM 0 HE ARG A 101 0.695 8.265 0.696 1.00 40.24 H new ATOM 0 HH11 ARG A 101 -1.165 5.428 -0.303 1.00 43.22 H new ATOM 0 HH12 ARG A 101 -1.848 6.266 -1.701 1.00 43.22 H new ATOM 0 HH21 ARG A 101 -0.311 9.332 -0.985 1.00 2.13 H new ATOM 0 HH22 ARG A 101 -1.373 8.441 -2.080 1.00 2.13 H new ATOM 912 N TYR A 102 -3.754 6.054 3.944 1.00 13.33 N ATOM 913 CA TYR A 102 -5.026 5.395 3.659 1.00 70.21 C ATOM 914 C TYR A 102 -6.104 5.877 4.637 1.00 74.53 C ATOM 915 O TYR A 102 -7.181 6.317 4.230 1.00 5.34 O ATOM 916 CB TYR A 102 -4.858 3.877 3.750 1.00 12.22 C ATOM 917 CG TYR A 102 -6.153 3.169 4.049 1.00 1.54 C ATOM 918 CD1 TYR A 102 -7.070 2.906 3.019 1.00 44.11 C ATOM 919 CD2 TYR A 102 -6.468 2.863 5.384 1.00 4.10 C ATOM 920 CE1 TYR A 102 -8.277 2.253 3.311 1.00 32.41 C ATOM 921 CE2 TYR A 102 -7.684 2.247 5.693 1.00 23.15 C ATOM 922 CZ TYR A 102 -8.591 1.928 4.651 1.00 73.41 C ATOM 923 OH TYR A 102 -9.768 1.303 4.929 1.00 51.25 O ATOM 0 H TYR A 102 -2.996 5.407 4.163 1.00 13.33 H new ATOM 0 HA TYR A 102 -5.341 5.652 2.647 1.00 70.21 H new ATOM 0 HB2 TYR A 102 -4.452 3.503 2.810 1.00 12.22 H new ATOM 0 HB3 TYR A 102 -4.131 3.641 4.527 1.00 12.22 H new ATOM 0 HD1 TYR A 102 -6.847 3.205 2.006 1.00 44.11 H new ATOM 0 HD2 TYR A 102 -5.770 3.104 6.172 1.00 4.10 H new ATOM 0 HE1 TYR A 102 -8.963 2.000 2.516 1.00 32.41 H new ATOM 0 HE2 TYR A 102 -7.931 2.016 6.719 1.00 23.15 H new ATOM 0 HH TYR A 102 -9.836 1.147 5.894 1.00 51.25 H new ATOM 933 N LEU A 103 -5.814 5.834 5.941 1.00 75.34 N ATOM 934 CA LEU A 103 -6.749 6.265 6.979 1.00 5.54 C ATOM 935 C LEU A 103 -7.057 7.761 6.935 1.00 50.11 C ATOM 936 O LEU A 103 -7.918 8.234 7.677 1.00 60.12 O ATOM 937 CB LEU A 103 -6.267 5.835 8.362 1.00 40.52 C ATOM 938 CG LEU A 103 -4.928 6.412 8.855 1.00 51.21 C ATOM 939 CD1 LEU A 103 -5.036 7.832 9.413 1.00 51.04 C ATOM 940 CD2 LEU A 103 -4.391 5.509 9.973 1.00 53.11 C ATOM 0 H LEU A 103 -4.922 5.498 6.305 1.00 75.34 H new ATOM 0 HA LEU A 103 -7.693 5.761 6.770 1.00 5.54 H new ATOM 0 HB2 LEU A 103 -7.037 6.103 9.086 1.00 40.52 H new ATOM 0 HB3 LEU A 103 -6.188 4.748 8.369 1.00 40.52 H new ATOM 0 HG LEU A 103 -4.267 6.451 7.989 1.00 51.21 H new ATOM 0 HD11 LEU A 103 -4.053 8.170 9.740 1.00 51.04 H new ATOM 0 HD12 LEU A 103 -5.410 8.500 8.637 1.00 51.04 H new ATOM 0 HD13 LEU A 103 -5.722 7.839 10.260 1.00 51.04 H new ATOM 0 HD21 LEU A 103 -3.441 5.903 10.335 1.00 53.11 H new ATOM 0 HD22 LEU A 103 -5.108 5.480 10.793 1.00 53.11 H new ATOM 0 HD23 LEU A 103 -4.242 4.501 9.586 1.00 53.11 H new ATOM 952 N ARG A 104 -6.325 8.508 6.117 1.00 3.53 N ATOM 953 CA ARG A 104 -6.465 9.938 5.884 1.00 71.51 C ATOM 954 C ARG A 104 -7.303 10.162 4.617 1.00 42.14 C ATOM 955 O ARG A 104 -7.816 11.268 4.459 1.00 73.40 O ATOM 956 CB ARG A 104 -5.066 10.587 5.860 1.00 2.32 C ATOM 957 CG ARG A 104 -4.738 11.474 4.658 1.00 4.42 C ATOM 958 CD ARG A 104 -3.283 11.941 4.739 1.00 65.24 C ATOM 959 NE ARG A 104 -3.043 13.128 3.914 1.00 41.54 N ATOM 960 CZ ARG A 104 -1.854 13.598 3.532 1.00 24.53 C ATOM 961 NH1 ARG A 104 -0.732 12.920 3.720 1.00 12.33 N ATOM 962 NH2 ARG A 104 -1.807 14.815 3.018 1.00 24.13 N ATOM 0 H ARG A 104 -5.570 8.104 5.564 1.00 3.53 H new ATOM 0 HA ARG A 104 -7.007 10.431 6.691 1.00 71.51 H new ATOM 0 HB2 ARG A 104 -4.953 11.185 6.764 1.00 2.32 H new ATOM 0 HB3 ARG A 104 -4.322 9.792 5.909 1.00 2.32 H new ATOM 0 HG2 ARG A 104 -4.901 10.922 3.732 1.00 4.42 H new ATOM 0 HG3 ARG A 104 -5.405 12.336 4.638 1.00 4.42 H new ATOM 0 HD2 ARG A 104 -3.030 12.162 5.776 1.00 65.24 H new ATOM 0 HD3 ARG A 104 -2.625 11.135 4.415 1.00 65.24 H new ATOM 0 HE ARG A 104 -3.865 13.645 3.601 1.00 41.54 H new ATOM 0 HH11 ARG A 104 -0.758 12.005 4.171 1.00 12.33 H new ATOM 0 HH12 ARG A 104 0.158 13.312 3.414 1.00 12.33 H new ATOM 0 HH21 ARG A 104 -2.663 15.362 2.924 1.00 24.13 H new ATOM 0 HH22 ARG A 104 -0.915 15.207 2.715 1.00 24.13 H new ATOM 976 N GLY A 105 -7.481 9.152 3.754 1.00 21.44 N ATOM 977 CA GLY A 105 -8.266 9.237 2.529 1.00 22.30 C ATOM 978 C GLY A 105 -7.442 9.650 1.310 1.00 72.22 C ATOM 979 O GLY A 105 -7.995 10.229 0.370 1.00 31.14 O ATOM 0 H GLY A 105 -7.069 8.230 3.899 1.00 21.44 H new ATOM 0 HA2 GLY A 105 -8.729 8.270 2.335 1.00 22.30 H new ATOM 0 HA3 GLY A 105 -9.074 9.954 2.673 1.00 22.30 H new ATOM 983 N ASP A 106 -6.138 9.371 1.305 1.00 23.32 N ATOM 984 CA ASP A 106 -5.253 9.737 0.196 1.00 20.33 C ATOM 985 C ASP A 106 -5.475 8.892 -1.059 1.00 33.40 C ATOM 986 O ASP A 106 -6.237 7.923 -1.060 1.00 30.10 O ATOM 987 CB ASP A 106 -3.783 9.656 0.640 1.00 4.02 C ATOM 988 CG ASP A 106 -3.321 10.899 1.398 1.00 14.51 C ATOM 989 OD1 ASP A 106 -4.065 11.904 1.449 1.00 14.31 O ATOM 990 OD2 ASP A 106 -2.176 10.877 1.891 1.00 12.53 O ATOM 0 H ASP A 106 -5.665 8.886 2.068 1.00 23.32 H new ATOM 0 HA ASP A 106 -5.501 10.763 -0.074 1.00 20.33 H new ATOM 0 HB2 ASP A 106 -3.648 8.779 1.274 1.00 4.02 H new ATOM 0 HB3 ASP A 106 -3.151 9.516 -0.237 1.00 4.02 H new ATOM 995 N GLU A 107 -4.808 9.268 -2.152 1.00 30.14 N ATOM 996 CA GLU A 107 -4.864 8.600 -3.448 1.00 4.54 C ATOM 997 C GLU A 107 -3.940 7.393 -3.495 1.00 2.42 C ATOM 998 O GLU A 107 -2.867 7.385 -2.882 1.00 10.34 O ATOM 999 CB GLU A 107 -4.567 9.613 -4.561 1.00 75.04 C ATOM 1000 CG GLU A 107 -3.083 9.997 -4.703 1.00 2.50 C ATOM 1001 CD GLU A 107 -2.856 10.935 -5.887 1.00 14.35 C ATOM 1002 OE1 GLU A 107 -3.405 10.682 -6.983 1.00 43.14 O ATOM 1003 OE2 GLU A 107 -2.109 11.930 -5.755 1.00 25.22 O ATOM 0 H GLU A 107 -4.190 10.079 -2.156 1.00 30.14 H new ATOM 0 HA GLU A 107 -5.870 8.211 -3.606 1.00 4.54 H new ATOM 0 HB2 GLU A 107 -4.914 9.202 -5.509 1.00 75.04 H new ATOM 0 HB3 GLU A 107 -5.146 10.517 -4.374 1.00 75.04 H new ATOM 0 HG2 GLU A 107 -2.742 10.478 -3.786 1.00 2.50 H new ATOM 0 HG3 GLU A 107 -2.484 9.096 -4.832 1.00 2.50 H new ATOM 1010 N PHE A 108 -4.358 6.386 -4.255 1.00 21.13 N ATOM 1011 CA PHE A 108 -3.648 5.144 -4.442 1.00 21.25 C ATOM 1012 C PHE A 108 -3.717 4.721 -5.913 1.00 13.22 C ATOM 1013 O PHE A 108 -4.750 4.294 -6.424 1.00 64.22 O ATOM 1014 CB PHE A 108 -4.250 4.063 -3.520 1.00 24.04 C ATOM 1015 CG PHE A 108 -3.803 4.102 -2.066 1.00 2.11 C ATOM 1016 CD1 PHE A 108 -4.347 5.030 -1.154 1.00 73.51 C ATOM 1017 CD2 PHE A 108 -2.853 3.171 -1.605 1.00 24.34 C ATOM 1018 CE1 PHE A 108 -3.899 5.071 0.176 1.00 3.01 C ATOM 1019 CE2 PHE A 108 -2.447 3.180 -0.260 1.00 33.04 C ATOM 1020 CZ PHE A 108 -2.950 4.143 0.630 1.00 34.52 C ATOM 0 H PHE A 108 -5.235 6.423 -4.774 1.00 21.13 H new ATOM 0 HA PHE A 108 -2.599 5.275 -4.178 1.00 21.25 H new ATOM 0 HB2 PHE A 108 -5.336 4.153 -3.548 1.00 24.04 H new ATOM 0 HB3 PHE A 108 -4.001 3.084 -3.930 1.00 24.04 H new ATOM 0 HD1 PHE A 108 -5.115 5.715 -1.482 1.00 73.51 H new ATOM 0 HD2 PHE A 108 -2.434 2.447 -2.288 1.00 24.34 H new ATOM 0 HE1 PHE A 108 -4.286 5.819 0.852 1.00 3.01 H new ATOM 0 HE2 PHE A 108 -1.743 2.441 0.092 1.00 33.04 H new ATOM 0 HZ PHE A 108 -2.609 4.169 1.655 1.00 34.52 H new ATOM 1030 N SER A 109 -2.592 4.795 -6.600 1.00 11.40 N ATOM 1031 CA SER A 109 -2.425 4.379 -7.994 1.00 50.35 C ATOM 1032 C SER A 109 -1.963 2.909 -8.007 1.00 74.30 C ATOM 1033 O SER A 109 -1.527 2.373 -6.983 1.00 33.11 O ATOM 1034 CB SER A 109 -1.399 5.257 -8.731 1.00 22.43 C ATOM 1035 OG SER A 109 -1.896 6.548 -9.027 1.00 15.14 O ATOM 0 H SER A 109 -1.731 5.160 -6.192 1.00 11.40 H new ATOM 0 HA SER A 109 -3.377 4.490 -8.513 1.00 50.35 H new ATOM 0 HB2 SER A 109 -0.501 5.349 -8.120 1.00 22.43 H new ATOM 0 HB3 SER A 109 -1.105 4.764 -9.658 1.00 22.43 H new ATOM 0 HG SER A 109 -1.206 7.065 -9.493 1.00 15.14 H new ATOM 1041 N PHE A 110 -2.030 2.250 -9.164 1.00 45.13 N ATOM 1042 CA PHE A 110 -1.645 0.844 -9.351 1.00 50.11 C ATOM 1043 C PHE A 110 -0.183 0.711 -9.830 1.00 65.03 C ATOM 1044 O PHE A 110 0.356 1.672 -10.385 1.00 0.05 O ATOM 1045 CB PHE A 110 -2.637 0.190 -10.328 1.00 62.00 C ATOM 1046 CG PHE A 110 -4.004 -0.117 -9.724 1.00 73.44 C ATOM 1047 CD1 PHE A 110 -4.896 0.913 -9.348 1.00 21.35 C ATOM 1048 CD2 PHE A 110 -4.392 -1.456 -9.524 1.00 25.21 C ATOM 1049 CE1 PHE A 110 -6.153 0.607 -8.796 1.00 5.54 C ATOM 1050 CE2 PHE A 110 -5.655 -1.760 -8.990 1.00 32.24 C ATOM 1051 CZ PHE A 110 -6.535 -0.732 -8.618 1.00 51.31 C ATOM 0 H PHE A 110 -2.362 2.688 -10.023 1.00 45.13 H new ATOM 0 HA PHE A 110 -1.692 0.323 -8.395 1.00 50.11 H new ATOM 0 HB2 PHE A 110 -2.772 0.849 -11.186 1.00 62.00 H new ATOM 0 HB3 PHE A 110 -2.202 -0.737 -10.703 1.00 62.00 H new ATOM 0 HD1 PHE A 110 -4.610 1.945 -9.486 1.00 21.35 H new ATOM 0 HD2 PHE A 110 -3.713 -2.255 -9.783 1.00 25.21 H new ATOM 0 HE1 PHE A 110 -6.825 1.403 -8.509 1.00 5.54 H new ATOM 0 HE2 PHE A 110 -5.951 -2.791 -8.865 1.00 32.24 H new ATOM 0 HZ PHE A 110 -7.501 -0.970 -8.197 1.00 51.31 H new ATOM 1061 N PRO A 111 0.458 -0.465 -9.667 1.00 44.33 N ATOM 1062 CA PRO A 111 1.849 -0.712 -10.064 1.00 50.42 C ATOM 1063 C PRO A 111 2.078 -0.659 -11.580 1.00 13.04 C ATOM 1064 O PRO A 111 1.120 -0.750 -12.350 1.00 65.52 O ATOM 1065 CB PRO A 111 2.207 -2.093 -9.496 1.00 14.22 C ATOM 1066 CG PRO A 111 0.861 -2.790 -9.358 1.00 54.32 C ATOM 1067 CD PRO A 111 -0.093 -1.647 -9.028 1.00 32.30 C ATOM 0 HA PRO A 111 2.490 0.077 -9.670 1.00 50.42 H new ATOM 0 HB2 PRO A 111 2.874 -2.639 -10.163 1.00 14.22 H new ATOM 0 HB3 PRO A 111 2.715 -2.011 -8.535 1.00 14.22 H new ATOM 0 HG2 PRO A 111 0.575 -3.299 -10.278 1.00 54.32 H new ATOM 0 HG3 PRO A 111 0.876 -3.542 -8.569 1.00 54.32 H new ATOM 0 HD2 PRO A 111 -1.096 -1.858 -9.398 1.00 32.30 H new ATOM 0 HD3 PRO A 111 -0.174 -1.506 -7.950 1.00 32.30 H new ATOM 1075 N PRO A 112 3.341 -0.544 -12.034 1.00 33.30 N ATOM 1076 CA PRO A 112 3.675 -0.483 -13.451 1.00 4.43 C ATOM 1077 C PRO A 112 3.242 -1.755 -14.174 1.00 24.43 C ATOM 1078 O PRO A 112 3.423 -2.867 -13.668 1.00 75.10 O ATOM 1079 CB PRO A 112 5.197 -0.291 -13.521 1.00 72.23 C ATOM 1080 CG PRO A 112 5.680 -0.837 -12.180 1.00 43.41 C ATOM 1081 CD PRO A 112 4.553 -0.436 -11.237 1.00 60.44 C ATOM 0 HA PRO A 112 3.153 0.336 -13.946 1.00 4.43 H new ATOM 0 HB2 PRO A 112 5.633 -0.836 -14.358 1.00 72.23 H new ATOM 0 HB3 PRO A 112 5.465 0.758 -13.649 1.00 72.23 H new ATOM 0 HG2 PRO A 112 5.820 -1.918 -12.208 1.00 43.41 H new ATOM 0 HG3 PRO A 112 6.633 -0.399 -11.883 1.00 43.41 H new ATOM 0 HD2 PRO A 112 4.514 -1.092 -10.367 1.00 60.44 H new ATOM 0 HD3 PRO A 112 4.692 0.579 -10.865 1.00 60.44 H new ATOM 1089 N GLY A 113 2.723 -1.592 -15.388 1.00 53.30 N ATOM 1090 CA GLY A 113 2.245 -2.661 -16.245 1.00 44.11 C ATOM 1091 C GLY A 113 0.763 -2.954 -16.037 1.00 74.02 C ATOM 1092 O GLY A 113 0.170 -3.587 -16.914 1.00 3.22 O ATOM 0 H GLY A 113 2.622 -0.671 -15.815 1.00 53.30 H new ATOM 0 HA2 GLY A 113 2.417 -2.392 -17.287 1.00 44.11 H new ATOM 0 HA3 GLY A 113 2.822 -3.565 -16.050 1.00 44.11 H new ATOM 1096 N PHE A 114 0.158 -2.519 -14.925 1.00 75.04 N ATOM 1097 CA PHE A 114 -1.255 -2.749 -14.656 1.00 25.03 C ATOM 1098 C PHE A 114 -2.089 -1.974 -15.685 1.00 34.43 C ATOM 1099 O PHE A 114 -2.957 -2.553 -16.340 1.00 2.42 O ATOM 1100 CB PHE A 114 -1.566 -2.347 -13.207 1.00 22.45 C ATOM 1101 CG PHE A 114 -2.896 -2.866 -12.712 1.00 10.24 C ATOM 1102 CD1 PHE A 114 -2.970 -4.127 -12.088 1.00 21.53 C ATOM 1103 CD2 PHE A 114 -4.058 -2.089 -12.865 1.00 53.23 C ATOM 1104 CE1 PHE A 114 -4.202 -4.605 -11.610 1.00 11.51 C ATOM 1105 CE2 PHE A 114 -5.287 -2.567 -12.382 1.00 44.43 C ATOM 1106 CZ PHE A 114 -5.361 -3.823 -11.753 1.00 65.50 C ATOM 0 H PHE A 114 0.639 -1.999 -14.191 1.00 75.04 H new ATOM 0 HA PHE A 114 -1.511 -3.804 -14.757 1.00 25.03 H new ATOM 0 HB2 PHE A 114 -0.774 -2.719 -12.557 1.00 22.45 H new ATOM 0 HB3 PHE A 114 -1.557 -1.260 -13.130 1.00 22.45 H new ATOM 0 HD1 PHE A 114 -2.079 -4.727 -11.977 1.00 21.53 H new ATOM 0 HD2 PHE A 114 -4.005 -1.127 -13.353 1.00 53.23 H new ATOM 0 HE1 PHE A 114 -4.258 -5.572 -11.133 1.00 11.51 H new ATOM 0 HE2 PHE A 114 -6.179 -1.968 -12.494 1.00 44.43 H new ATOM 0 HZ PHE A 114 -6.307 -4.186 -11.380 1.00 65.50 H new ATOM 1116 N GLU A 115 -1.819 -0.674 -15.838 1.00 74.14 N ATOM 1117 CA GLU A 115 -2.486 0.225 -16.774 1.00 71.12 C ATOM 1118 C GLU A 115 -1.980 -0.071 -18.170 1.00 21.55 C ATOM 1119 O GLU A 115 -2.787 -0.285 -19.094 1.00 31.55 O ATOM 1120 CB GLU A 115 -2.168 1.690 -16.425 1.00 22.12 C ATOM 1121 CG GLU A 115 -2.789 2.171 -15.104 1.00 45.14 C ATOM 1122 CD GLU A 115 -4.293 2.462 -15.193 1.00 72.55 C ATOM 1123 OE1 GLU A 115 -4.849 2.656 -16.296 1.00 74.34 O ATOM 1124 OE2 GLU A 115 -4.948 2.558 -14.129 1.00 54.41 O ATOM 0 H GLU A 115 -1.100 -0.204 -15.289 1.00 74.14 H new ATOM 0 HA GLU A 115 -3.564 0.074 -16.716 1.00 71.12 H new ATOM 0 HB2 GLU A 115 -1.086 1.812 -16.371 1.00 22.12 H new ATOM 0 HB3 GLU A 115 -2.521 2.330 -17.234 1.00 22.12 H new ATOM 0 HG2 GLU A 115 -2.620 1.414 -14.338 1.00 45.14 H new ATOM 0 HG3 GLU A 115 -2.273 3.074 -14.779 1.00 45.14 H new TER 1131 GLU A 115