USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 106 SER OG : rot -32:sc= 1.65 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.641 K(o=2.3,f=1.1) USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.178 K(o=1.3,f=-1.5!) USER MOD Set 2.2: A 110 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 5 ASN : amide:sc= -0.0691 K(o=-0.069,f=-1.5) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 15 THR OG1 : rot -94:sc= 1.26 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 148:sc= -0.664 (180deg=-2.12!) USER MOD Single : A 56 ASN : amide:sc= -1.62! C(o=-1.6!,f=-18!) USER MOD Single : A 65 GLN : amide:sc= -1.75! C(o=-1.7!,f=-3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0396 USER MOD Single : A 69 THR OG1 : rot -85:sc= 1.73 USER MOD Single : A 73 HIS : no HD1:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 76 SER OG : rot -80:sc= 0.078 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0417 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.891 K(o=0.89,f=-4.3!) USER MOD Single : A 108 ASN : amide:sc= 0.0163 K(o=0.016,f=-0.85) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.447 K(o=0.45,f=-6.4!) USER MOD Single : A 120 GLN : amide:sc= -3.4! C(o=-3.4!,f=-1!) USER MOD Single : A 122 MET CE :methyl -142:sc= -0.0317 (180deg=-1.03) USER MOD Single : A 123 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.71) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 129 GLN : amide:sc= 0.763 K(o=0.76,f=-0.63) USER MOD Single : A 132 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0325) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -66.157 20.455 31.954 1.00 11.12 N ATOM 58 CA ASN A 5 -65.233 21.555 32.150 1.00 2.45 C ATOM 59 C ASN A 5 -64.084 21.428 31.164 1.00 33.40 C ATOM 60 O ASN A 5 -63.822 20.332 30.667 1.00 23.31 O ATOM 61 CB ASN A 5 -64.695 21.505 33.596 1.00 32.11 C ATOM 62 CG ASN A 5 -63.796 22.669 33.960 1.00 63.55 C ATOM 63 OD1 ASN A 5 -63.964 23.780 33.460 1.00 71.24 O ATOM 64 ND2 ASN A 5 -62.846 22.427 34.815 1.00 72.20 N ATOM 0 HA ASN A 5 -65.741 22.505 31.984 1.00 2.45 H new ATOM 0 HB2 ASN A 5 -65.539 21.481 34.286 1.00 32.11 H new ATOM 0 HB3 ASN A 5 -64.143 20.576 33.735 1.00 32.11 H new ATOM 0 HD21 ASN A 5 -62.208 23.173 35.093 1.00 72.20 H new ATOM 0 HD22 ASN A 5 -62.739 21.492 35.208 1.00 72.20 H new ATOM 71 N GLY A 6 -63.428 22.531 30.868 1.00 63.45 N ATOM 72 CA GLY A 6 -62.303 22.515 29.975 1.00 41.21 C ATOM 73 C GLY A 6 -61.097 21.909 30.649 1.00 13.13 C ATOM 74 O GLY A 6 -60.494 22.523 31.543 1.00 21.11 O ATOM 0 H GLY A 6 -63.662 23.452 31.239 1.00 63.45 H new ATOM 0 HA2 GLY A 6 -62.551 21.944 29.080 1.00 41.21 H new ATOM 0 HA3 GLY A 6 -62.074 23.531 29.652 1.00 41.21 H new ATOM 78 N THR A 7 -60.767 20.713 30.273 1.00 61.34 N ATOM 79 CA THR A 7 -59.654 20.038 30.861 1.00 41.23 C ATOM 80 C THR A 7 -58.415 20.180 29.963 1.00 44.14 C ATOM 81 O THR A 7 -58.483 19.926 28.748 1.00 25.42 O ATOM 82 CB THR A 7 -59.985 18.537 31.181 1.00 61.31 C ATOM 83 OG1 THR A 7 -58.866 17.883 31.798 1.00 72.21 O ATOM 84 CG2 THR A 7 -60.411 17.760 29.937 1.00 64.23 C ATOM 0 H THR A 7 -61.258 20.180 29.555 1.00 61.34 H new ATOM 0 HA THR A 7 -59.432 20.510 31.818 1.00 41.23 H new ATOM 0 HB THR A 7 -60.825 18.547 31.876 1.00 61.31 H new ATOM 0 HG1 THR A 7 -59.097 16.950 31.989 1.00 72.21 H new ATOM 0 HG21 THR A 7 -60.629 16.727 30.210 1.00 64.23 H new ATOM 0 HG22 THR A 7 -61.303 18.218 29.509 1.00 64.23 H new ATOM 0 HG23 THR A 7 -59.606 17.779 29.203 1.00 64.23 H new ATOM 92 N PRO A 8 -57.290 20.655 30.523 1.00 24.21 N ATOM 93 CA PRO A 8 -56.058 20.828 29.770 1.00 52.05 C ATOM 94 C PRO A 8 -55.493 19.488 29.324 1.00 53.33 C ATOM 95 O PRO A 8 -55.347 18.558 30.133 1.00 33.53 O ATOM 96 CB PRO A 8 -55.112 21.509 30.763 1.00 71.54 C ATOM 97 CG PRO A 8 -55.645 21.140 32.100 1.00 41.44 C ATOM 98 CD PRO A 8 -57.129 21.044 31.938 1.00 71.40 C ATOM 0 HA PRO A 8 -56.206 21.407 28.859 1.00 52.05 H new ATOM 0 HB2 PRO A 8 -54.087 21.162 30.635 1.00 71.54 H new ATOM 0 HB3 PRO A 8 -55.103 22.590 30.624 1.00 71.54 H new ATOM 0 HG2 PRO A 8 -55.227 20.192 32.439 1.00 41.44 H new ATOM 0 HG3 PRO A 8 -55.381 21.890 32.846 1.00 41.44 H new ATOM 0 HD2 PRO A 8 -57.560 20.303 32.611 1.00 71.40 H new ATOM 0 HD3 PRO A 8 -57.620 21.993 32.153 1.00 71.40 H new ATOM 106 N GLU A 9 -55.207 19.371 28.067 1.00 31.31 N ATOM 107 CA GLU A 9 -54.659 18.154 27.539 1.00 14.14 C ATOM 108 C GLU A 9 -53.146 18.231 27.597 1.00 71.01 C ATOM 109 O GLU A 9 -52.572 19.248 27.195 1.00 1.42 O ATOM 110 CB GLU A 9 -55.160 17.909 26.128 1.00 23.02 C ATOM 111 CG GLU A 9 -56.673 17.811 26.056 1.00 34.22 C ATOM 112 CD GLU A 9 -57.160 17.454 24.692 1.00 22.20 C ATOM 113 OE1 GLU A 9 -57.231 16.256 24.380 1.00 24.24 O ATOM 114 OE2 GLU A 9 -57.486 18.363 23.904 1.00 33.12 O ATOM 0 H GLU A 9 -55.344 20.110 27.377 1.00 31.31 H new ATOM 0 HA GLU A 9 -54.988 17.307 28.141 1.00 14.14 H new ATOM 0 HB2 GLU A 9 -54.820 18.717 25.480 1.00 23.02 H new ATOM 0 HB3 GLU A 9 -54.721 16.988 25.745 1.00 23.02 H new ATOM 0 HG2 GLU A 9 -57.019 17.063 26.769 1.00 34.22 H new ATOM 0 HG3 GLU A 9 -57.110 18.763 26.356 1.00 34.22 H new ATOM 121 N PRO A 10 -52.485 17.179 28.117 1.00 13.02 N ATOM 122 CA PRO A 10 -51.034 17.166 28.347 1.00 32.42 C ATOM 123 C PRO A 10 -50.193 17.623 27.153 1.00 10.30 C ATOM 124 O PRO A 10 -50.390 17.180 26.013 1.00 34.40 O ATOM 125 CB PRO A 10 -50.725 15.708 28.672 1.00 13.15 C ATOM 126 CG PRO A 10 -51.994 15.165 29.225 1.00 10.12 C ATOM 127 CD PRO A 10 -53.107 15.894 28.523 1.00 14.20 C ATOM 0 HA PRO A 10 -50.777 17.873 29.136 1.00 32.42 H new ATOM 0 HB2 PRO A 10 -50.416 15.161 27.781 1.00 13.15 H new ATOM 0 HB3 PRO A 10 -49.912 15.627 29.394 1.00 13.15 H new ATOM 0 HG2 PRO A 10 -52.064 14.091 29.054 1.00 10.12 H new ATOM 0 HG3 PRO A 10 -52.046 15.320 30.303 1.00 10.12 H new ATOM 0 HD2 PRO A 10 -53.470 15.335 27.661 1.00 14.20 H new ATOM 0 HD3 PRO A 10 -53.960 16.053 29.183 1.00 14.20 H new ATOM 135 N GLN A 11 -49.308 18.536 27.423 1.00 71.41 N ATOM 136 CA GLN A 11 -48.339 19.012 26.470 1.00 32.43 C ATOM 137 C GLN A 11 -47.012 18.501 26.940 1.00 1.44 C ATOM 138 O GLN A 11 -46.506 18.954 27.966 1.00 51.42 O ATOM 139 CB GLN A 11 -48.294 20.542 26.430 1.00 53.14 C ATOM 140 CG GLN A 11 -49.572 21.207 25.976 1.00 13.24 C ATOM 141 CD GLN A 11 -49.446 22.716 25.972 1.00 14.44 C ATOM 142 OE1 GLN A 11 -49.044 23.316 24.976 1.00 62.53 O ATOM 143 NE2 GLN A 11 -49.786 23.343 27.065 1.00 42.55 N ATOM 0 H GLN A 11 -49.235 18.985 28.336 1.00 71.41 H new ATOM 0 HA GLN A 11 -48.595 18.667 25.468 1.00 32.43 H new ATOM 0 HB2 GLN A 11 -48.045 20.909 27.426 1.00 53.14 H new ATOM 0 HB3 GLN A 11 -47.486 20.849 25.766 1.00 53.14 H new ATOM 0 HG2 GLN A 11 -49.827 20.860 24.975 1.00 13.24 H new ATOM 0 HG3 GLN A 11 -50.390 20.912 26.633 1.00 13.24 H new ATOM 0 HE21 GLN A 11 -50.116 22.816 27.874 1.00 42.55 H new ATOM 0 HE22 GLN A 11 -49.722 24.360 27.110 1.00 42.55 H new ATOM 152 N VAL A 12 -46.468 17.550 26.258 1.00 41.15 N ATOM 153 CA VAL A 12 -45.251 16.959 26.703 1.00 11.43 C ATOM 154 C VAL A 12 -44.099 17.233 25.730 1.00 53.03 C ATOM 155 O VAL A 12 -44.059 16.728 24.605 1.00 43.40 O ATOM 156 CB VAL A 12 -45.430 15.441 27.042 1.00 35.13 C ATOM 157 CG1 VAL A 12 -45.869 14.612 25.840 1.00 15.52 C ATOM 158 CG2 VAL A 12 -44.186 14.869 27.706 1.00 34.42 C ATOM 0 H VAL A 12 -46.846 17.166 25.392 1.00 41.15 H new ATOM 0 HA VAL A 12 -44.972 17.441 27.640 1.00 11.43 H new ATOM 0 HB VAL A 12 -46.246 15.378 27.762 1.00 35.13 H new ATOM 0 HG11 VAL A 12 -45.976 13.569 26.137 1.00 15.52 H new ATOM 0 HG12 VAL A 12 -46.825 14.984 25.471 1.00 15.52 H new ATOM 0 HG13 VAL A 12 -45.120 14.690 25.052 1.00 15.52 H new ATOM 0 HG21 VAL A 12 -44.345 13.814 27.928 1.00 34.42 H new ATOM 0 HG22 VAL A 12 -43.334 14.975 27.035 1.00 34.42 H new ATOM 0 HG23 VAL A 12 -43.987 15.408 28.632 1.00 34.42 H new ATOM 168 N GLU A 13 -43.209 18.092 26.151 1.00 60.32 N ATOM 169 CA GLU A 13 -42.056 18.456 25.372 1.00 10.35 C ATOM 170 C GLU A 13 -40.901 18.543 26.362 1.00 22.34 C ATOM 171 O GLU A 13 -41.094 18.979 27.504 1.00 4.15 O ATOM 172 CB GLU A 13 -42.299 19.821 24.675 1.00 31.52 C ATOM 173 CG GLU A 13 -41.470 20.080 23.399 1.00 12.10 C ATOM 174 CD GLU A 13 -39.978 20.002 23.602 1.00 41.33 C ATOM 175 OE1 GLU A 13 -39.365 21.007 24.019 1.00 42.21 O ATOM 176 OE2 GLU A 13 -39.406 18.922 23.386 1.00 24.10 O ATOM 0 H GLU A 13 -43.265 18.563 27.054 1.00 60.32 H new ATOM 0 HA GLU A 13 -41.844 17.732 24.586 1.00 10.35 H new ATOM 0 HB2 GLU A 13 -43.356 19.894 24.420 1.00 31.52 H new ATOM 0 HB3 GLU A 13 -42.088 20.616 25.390 1.00 31.52 H new ATOM 0 HG2 GLU A 13 -41.760 19.355 22.638 1.00 12.10 H new ATOM 0 HG3 GLU A 13 -41.721 21.067 23.011 1.00 12.10 H new ATOM 183 N THR A 14 -39.750 18.097 25.974 1.00 30.33 N ATOM 184 CA THR A 14 -38.591 18.107 26.821 1.00 32.41 C ATOM 185 C THR A 14 -37.319 18.233 25.966 1.00 23.43 C ATOM 186 O THR A 14 -36.827 17.238 25.402 1.00 50.43 O ATOM 187 CB THR A 14 -38.532 16.827 27.710 1.00 24.12 C ATOM 188 OG1 THR A 14 -39.753 16.724 28.487 1.00 64.25 O ATOM 189 CG2 THR A 14 -37.344 16.875 28.665 1.00 33.52 C ATOM 0 H THR A 14 -39.581 17.709 25.046 1.00 30.33 H new ATOM 0 HA THR A 14 -38.658 18.968 27.486 1.00 32.41 H new ATOM 0 HB THR A 14 -38.421 15.963 27.055 1.00 24.12 H new ATOM 0 HG1 THR A 14 -39.719 15.919 29.045 1.00 64.25 H new ATOM 0 HG21 THR A 14 -37.328 15.970 29.272 1.00 33.52 H new ATOM 0 HG22 THR A 14 -36.419 16.944 28.092 1.00 33.52 H new ATOM 0 HG23 THR A 14 -37.434 17.746 29.314 1.00 33.52 H new ATOM 197 N THR A 15 -36.837 19.444 25.811 1.00 35.53 N ATOM 198 CA THR A 15 -35.624 19.690 25.079 1.00 74.00 C ATOM 199 C THR A 15 -34.506 20.206 25.997 1.00 32.14 C ATOM 200 O THR A 15 -34.520 21.361 26.443 1.00 35.42 O ATOM 201 CB THR A 15 -35.854 20.637 23.866 1.00 30.21 C ATOM 202 OG1 THR A 15 -36.811 21.670 24.199 1.00 24.13 O ATOM 203 CG2 THR A 15 -36.327 19.862 22.646 1.00 11.24 C ATOM 0 H THR A 15 -37.277 20.283 26.190 1.00 35.53 H new ATOM 0 HA THR A 15 -35.298 18.732 24.674 1.00 74.00 H new ATOM 0 HB THR A 15 -34.899 21.105 23.626 1.00 30.21 H new ATOM 0 HG1 THR A 15 -37.707 21.389 23.918 1.00 24.13 H new ATOM 0 HG21 THR A 15 -36.479 20.550 21.814 1.00 11.24 H new ATOM 0 HG22 THR A 15 -35.576 19.122 22.371 1.00 11.24 H new ATOM 0 HG23 THR A 15 -37.266 19.358 22.876 1.00 11.24 H new ATOM 211 N SER A 16 -33.577 19.331 26.304 1.00 4.45 N ATOM 212 CA SER A 16 -32.447 19.638 27.136 1.00 14.14 C ATOM 213 C SER A 16 -31.431 18.526 26.954 1.00 63.11 C ATOM 214 O SER A 16 -31.723 17.366 27.247 1.00 54.25 O ATOM 215 CB SER A 16 -32.882 19.753 28.618 1.00 31.21 C ATOM 216 OG SER A 16 -31.790 20.091 29.470 1.00 63.10 O ATOM 0 H SER A 16 -33.590 18.366 25.973 1.00 4.45 H new ATOM 0 HA SER A 16 -32.010 20.596 26.853 1.00 14.14 H new ATOM 0 HB2 SER A 16 -33.661 20.510 28.710 1.00 31.21 H new ATOM 0 HB3 SER A 16 -33.316 18.808 28.943 1.00 31.21 H new ATOM 0 HG SER A 16 -32.105 20.156 30.396 1.00 63.10 H new ATOM 222 N VAL A 17 -30.287 18.849 26.407 1.00 60.12 N ATOM 223 CA VAL A 17 -29.250 17.866 26.198 1.00 24.25 C ATOM 224 C VAL A 17 -27.885 18.488 26.476 1.00 73.32 C ATOM 225 O VAL A 17 -27.684 19.694 26.267 1.00 63.42 O ATOM 226 CB VAL A 17 -29.302 17.266 24.743 1.00 32.31 C ATOM 227 CG1 VAL A 17 -29.003 18.313 23.672 1.00 73.02 C ATOM 228 CG2 VAL A 17 -28.384 16.054 24.595 1.00 15.34 C ATOM 0 H VAL A 17 -30.047 19.790 26.096 1.00 60.12 H new ATOM 0 HA VAL A 17 -29.417 17.043 26.893 1.00 24.25 H new ATOM 0 HB VAL A 17 -30.327 16.929 24.588 1.00 32.31 H new ATOM 0 HG11 VAL A 17 -29.051 17.850 22.687 1.00 73.02 H new ATOM 0 HG12 VAL A 17 -29.739 19.115 23.732 1.00 73.02 H new ATOM 0 HG13 VAL A 17 -28.006 18.723 23.832 1.00 73.02 H new ATOM 0 HG21 VAL A 17 -28.449 15.670 23.577 1.00 15.34 H new ATOM 0 HG22 VAL A 17 -27.356 16.348 24.807 1.00 15.34 H new ATOM 0 HG23 VAL A 17 -28.691 15.278 25.296 1.00 15.34 H new ATOM 616 N GLY A 45 3.478 -16.147 -1.789 1.00 43.05 N ATOM 617 CA GLY A 45 2.128 -16.076 -1.309 1.00 44.13 C ATOM 618 C GLY A 45 2.016 -14.785 -0.595 1.00 34.55 C ATOM 619 O GLY A 45 1.532 -14.697 0.530 1.00 11.13 O ATOM 0 HA2 GLY A 45 1.417 -16.128 -2.134 1.00 44.13 H new ATOM 0 HA3 GLY A 45 1.906 -16.910 -0.644 1.00 44.13 H new ATOM 623 N SER A 46 2.473 -13.785 -1.265 1.00 5.44 N ATOM 624 CA SER A 46 2.663 -12.487 -0.713 1.00 61.24 C ATOM 625 C SER A 46 1.418 -11.633 -0.873 1.00 51.02 C ATOM 626 O SER A 46 0.520 -11.969 -1.636 1.00 21.42 O ATOM 627 CB SER A 46 3.809 -11.873 -1.469 1.00 30.12 C ATOM 628 OG SER A 46 4.910 -12.772 -1.505 1.00 23.13 O ATOM 0 H SER A 46 2.735 -13.850 -2.249 1.00 5.44 H new ATOM 0 HA SER A 46 2.869 -12.550 0.356 1.00 61.24 H new ATOM 0 HB2 SER A 46 3.496 -11.629 -2.484 1.00 30.12 H new ATOM 0 HB3 SER A 46 4.108 -10.938 -0.995 1.00 30.12 H new ATOM 0 HG SER A 46 5.650 -12.363 -2.001 1.00 23.13 H new ATOM 634 N ALA A 47 1.368 -10.550 -0.143 1.00 74.44 N ATOM 635 CA ALA A 47 0.243 -9.658 -0.175 1.00 51.12 C ATOM 636 C ALA A 47 0.489 -8.557 -1.192 1.00 40.54 C ATOM 637 O ALA A 47 1.635 -8.353 -1.633 1.00 3.45 O ATOM 638 CB ALA A 47 0.011 -9.081 1.208 1.00 34.11 C ATOM 0 H ALA A 47 2.111 -10.262 0.493 1.00 74.44 H new ATOM 0 HA ALA A 47 -0.651 -10.205 -0.474 1.00 51.12 H new ATOM 0 HB1 ALA A 47 -0.843 -8.404 1.181 1.00 34.11 H new ATOM 0 HB2 ALA A 47 -0.189 -9.890 1.911 1.00 34.11 H new ATOM 0 HB3 ALA A 47 0.898 -8.533 1.527 1.00 34.11 H new ATOM 644 N LEU A 48 -0.550 -7.853 -1.564 1.00 13.01 N ATOM 645 CA LEU A 48 -0.428 -6.804 -2.546 1.00 2.43 C ATOM 646 C LEU A 48 -1.155 -5.562 -2.079 1.00 44.50 C ATOM 647 O LEU A 48 -2.091 -5.646 -1.264 1.00 52.20 O ATOM 648 CB LEU A 48 -0.953 -7.235 -3.956 1.00 63.23 C ATOM 649 CG LEU A 48 -2.482 -7.410 -4.163 1.00 70.25 C ATOM 650 CD1 LEU A 48 -2.787 -7.605 -5.639 1.00 23.12 C ATOM 651 CD2 LEU A 48 -3.032 -8.592 -3.381 1.00 75.24 C ATOM 0 H LEU A 48 -1.493 -7.988 -1.200 1.00 13.01 H new ATOM 0 HA LEU A 48 0.635 -6.589 -2.651 1.00 2.43 H new ATOM 0 HB2 LEU A 48 -0.605 -6.496 -4.678 1.00 63.23 H new ATOM 0 HB3 LEU A 48 -0.475 -8.181 -4.211 1.00 63.23 H new ATOM 0 HG LEU A 48 -2.964 -6.505 -3.794 1.00 70.25 H new ATOM 0 HD11 LEU A 48 -3.862 -7.727 -5.775 1.00 23.12 H new ATOM 0 HD12 LEU A 48 -2.447 -6.734 -6.199 1.00 23.12 H new ATOM 0 HD13 LEU A 48 -2.272 -8.494 -6.003 1.00 23.12 H new ATOM 0 HD21 LEU A 48 -4.105 -8.676 -3.556 1.00 75.24 H new ATOM 0 HD22 LEU A 48 -2.538 -9.507 -3.709 1.00 75.24 H new ATOM 0 HD23 LEU A 48 -2.848 -8.442 -2.317 1.00 75.24 H new ATOM 663 N LEU A 49 -0.743 -4.428 -2.589 1.00 0.51 N ATOM 664 CA LEU A 49 -1.399 -3.186 -2.271 1.00 71.14 C ATOM 665 C LEU A 49 -2.137 -2.752 -3.499 1.00 22.22 C ATOM 666 O LEU A 49 -1.599 -2.819 -4.608 1.00 13.40 O ATOM 667 CB LEU A 49 -0.416 -2.047 -1.829 1.00 0.45 C ATOM 668 CG LEU A 49 0.482 -1.371 -2.910 1.00 0.31 C ATOM 669 CD1 LEU A 49 1.112 -0.105 -2.370 1.00 21.41 C ATOM 670 CD2 LEU A 49 1.579 -2.286 -3.387 1.00 72.31 C ATOM 0 H LEU A 49 0.047 -4.340 -3.228 1.00 0.51 H new ATOM 0 HA LEU A 49 -2.059 -3.358 -1.421 1.00 71.14 H new ATOM 0 HB2 LEU A 49 -1.009 -1.264 -1.355 1.00 0.45 H new ATOM 0 HB3 LEU A 49 0.242 -2.457 -1.062 1.00 0.45 H new ATOM 0 HG LEU A 49 -0.170 -1.136 -3.751 1.00 0.31 H new ATOM 0 HD11 LEU A 49 1.734 0.349 -3.141 1.00 21.41 H new ATOM 0 HD12 LEU A 49 0.329 0.594 -2.076 1.00 21.41 H new ATOM 0 HD13 LEU A 49 1.727 -0.346 -1.503 1.00 21.41 H new ATOM 0 HD21 LEU A 49 2.179 -1.773 -4.139 1.00 72.31 H new ATOM 0 HD22 LEU A 49 2.213 -2.564 -2.545 1.00 72.31 H new ATOM 0 HD23 LEU A 49 1.140 -3.184 -3.823 1.00 72.31 H new ATOM 682 N VAL A 50 -3.361 -2.375 -3.333 1.00 65.30 N ATOM 683 CA VAL A 50 -4.155 -1.915 -4.430 1.00 42.12 C ATOM 684 C VAL A 50 -4.539 -0.489 -4.179 1.00 61.13 C ATOM 685 O VAL A 50 -5.256 -0.194 -3.234 1.00 11.33 O ATOM 686 CB VAL A 50 -5.446 -2.774 -4.616 1.00 41.42 C ATOM 687 CG1 VAL A 50 -6.274 -2.287 -5.800 1.00 25.23 C ATOM 688 CG2 VAL A 50 -5.110 -4.254 -4.777 1.00 12.40 C ATOM 0 H VAL A 50 -3.842 -2.376 -2.434 1.00 65.30 H new ATOM 0 HA VAL A 50 -3.565 -2.005 -5.342 1.00 42.12 H new ATOM 0 HB VAL A 50 -6.043 -2.655 -3.712 1.00 41.42 H new ATOM 0 HG11 VAL A 50 -7.165 -2.907 -5.901 1.00 25.23 H new ATOM 0 HG12 VAL A 50 -6.570 -1.251 -5.636 1.00 25.23 H new ATOM 0 HG13 VAL A 50 -5.680 -2.355 -6.712 1.00 25.23 H new ATOM 0 HG21 VAL A 50 -6.030 -4.824 -4.904 1.00 12.40 H new ATOM 0 HG22 VAL A 50 -4.475 -4.390 -5.652 1.00 12.40 H new ATOM 0 HG23 VAL A 50 -4.585 -4.606 -3.889 1.00 12.40 H new ATOM 698 N VAL A 51 -4.063 0.393 -4.989 1.00 31.22 N ATOM 699 CA VAL A 51 -4.425 1.762 -4.847 1.00 22.43 C ATOM 700 C VAL A 51 -5.609 2.015 -5.731 1.00 23.25 C ATOM 701 O VAL A 51 -5.537 1.859 -6.957 1.00 33.13 O ATOM 702 CB VAL A 51 -3.275 2.716 -5.219 1.00 64.11 C ATOM 703 CG1 VAL A 51 -3.706 4.155 -5.013 1.00 62.23 C ATOM 704 CG2 VAL A 51 -2.031 2.409 -4.394 1.00 24.14 C ATOM 0 H VAL A 51 -3.422 0.192 -5.757 1.00 31.22 H new ATOM 0 HA VAL A 51 -4.662 1.957 -3.801 1.00 22.43 H new ATOM 0 HB VAL A 51 -3.029 2.569 -6.271 1.00 64.11 H new ATOM 0 HG11 VAL A 51 -2.886 4.822 -5.279 1.00 62.23 H new ATOM 0 HG12 VAL A 51 -4.568 4.371 -5.644 1.00 62.23 H new ATOM 0 HG13 VAL A 51 -3.974 4.308 -3.968 1.00 62.23 H new ATOM 0 HG21 VAL A 51 -1.231 3.095 -4.673 1.00 24.14 H new ATOM 0 HG22 VAL A 51 -2.258 2.528 -3.335 1.00 24.14 H new ATOM 0 HG23 VAL A 51 -1.713 1.384 -4.583 1.00 24.14 H new ATOM 714 N LYS A 52 -6.706 2.349 -5.113 1.00 45.11 N ATOM 715 CA LYS A 52 -7.928 2.589 -5.833 1.00 62.12 C ATOM 716 C LYS A 52 -7.911 3.995 -6.362 1.00 20.12 C ATOM 717 O LYS A 52 -8.327 4.256 -7.493 1.00 31.53 O ATOM 718 CB LYS A 52 -9.135 2.387 -4.918 1.00 5.54 C ATOM 719 CG LYS A 52 -9.202 1.014 -4.254 1.00 33.42 C ATOM 720 CD LYS A 52 -9.392 -0.148 -5.246 1.00 2.10 C ATOM 721 CE LYS A 52 -10.842 -0.315 -5.748 1.00 2.21 C ATOM 722 NZ LYS A 52 -11.331 0.783 -6.625 1.00 1.20 N ATOM 0 H LYS A 52 -6.781 2.463 -4.102 1.00 45.11 H new ATOM 0 HA LYS A 52 -8.007 1.884 -6.660 1.00 62.12 H new ATOM 0 HB2 LYS A 52 -9.119 3.152 -4.142 1.00 5.54 H new ATOM 0 HB3 LYS A 52 -10.045 2.541 -5.498 1.00 5.54 H new ATOM 0 HG2 LYS A 52 -8.285 0.850 -3.688 1.00 33.42 H new ATOM 0 HG3 LYS A 52 -10.024 1.007 -3.539 1.00 33.42 H new ATOM 0 HD2 LYS A 52 -8.738 0.009 -6.103 1.00 2.10 H new ATOM 0 HD3 LYS A 52 -9.075 -1.075 -4.769 1.00 2.10 H new ATOM 0 HE2 LYS A 52 -10.916 -1.256 -6.293 1.00 2.21 H new ATOM 0 HE3 LYS A 52 -11.503 -0.393 -4.885 1.00 2.21 H new ATOM 0 HZ1 LYS A 52 -12.005 0.400 -7.318 1.00 1.20 H new ATOM 0 HZ2 LYS A 52 -11.803 1.506 -6.045 1.00 1.20 H new ATOM 0 HZ3 LYS A 52 -10.527 1.212 -7.126 1.00 1.20 H new ATOM 736 N ARG A 53 -7.399 4.890 -5.552 1.00 53.14 N ATOM 737 CA ARG A 53 -7.305 6.276 -5.905 1.00 65.12 C ATOM 738 C ARG A 53 -6.078 6.865 -5.254 1.00 33.44 C ATOM 739 O ARG A 53 -5.980 6.873 -4.025 1.00 72.23 O ATOM 740 CB ARG A 53 -8.557 7.033 -5.440 1.00 63.34 C ATOM 741 CG ARG A 53 -8.506 8.519 -5.734 1.00 32.32 C ATOM 742 CD ARG A 53 -9.727 9.242 -5.213 1.00 2.31 C ATOM 743 NE ARG A 53 -9.618 10.679 -5.456 1.00 0.31 N ATOM 744 CZ ARG A 53 -10.348 11.630 -4.876 1.00 75.40 C ATOM 745 NH1 ARG A 53 -11.283 11.317 -3.969 1.00 51.03 N ATOM 746 NH2 ARG A 53 -10.121 12.895 -5.198 1.00 34.43 N ATOM 0 H ARG A 53 -7.035 4.670 -4.625 1.00 53.14 H new ATOM 0 HA ARG A 53 -7.230 6.368 -6.989 1.00 65.12 H new ATOM 0 HB2 ARG A 53 -9.433 6.604 -5.926 1.00 63.34 H new ATOM 0 HB3 ARG A 53 -8.684 6.887 -4.367 1.00 63.34 H new ATOM 0 HG2 ARG A 53 -7.611 8.947 -5.283 1.00 32.32 H new ATOM 0 HG3 ARG A 53 -8.425 8.673 -6.810 1.00 32.32 H new ATOM 0 HD2 ARG A 53 -10.622 8.853 -5.699 1.00 2.31 H new ATOM 0 HD3 ARG A 53 -9.838 9.056 -4.145 1.00 2.31 H new ATOM 0 HE ARG A 53 -8.918 10.982 -6.133 1.00 0.31 H new ATOM 0 HH11 ARG A 53 -11.442 10.342 -3.716 1.00 51.03 H new ATOM 0 HH12 ARG A 53 -11.836 12.054 -3.531 1.00 51.03 H new ATOM 0 HH21 ARG A 53 -9.398 13.126 -5.879 1.00 34.43 H new ATOM 0 HH22 ARG A 53 -10.670 13.638 -4.765 1.00 34.43 H new ATOM 760 N GLY A 54 -5.124 7.294 -6.056 1.00 72.22 N ATOM 761 CA GLY A 54 -3.953 7.927 -5.511 1.00 23.02 C ATOM 762 C GLY A 54 -2.907 8.269 -6.560 1.00 23.12 C ATOM 763 O GLY A 54 -2.621 7.453 -7.428 1.00 4.21 O ATOM 0 H GLY A 54 -5.140 7.215 -7.073 1.00 72.22 H new ATOM 0 HA2 GLY A 54 -4.250 8.839 -4.994 1.00 23.02 H new ATOM 0 HA3 GLY A 54 -3.507 7.269 -4.765 1.00 23.02 H new ATOM 767 N PRO A 55 -2.340 9.502 -6.518 1.00 33.05 N ATOM 768 CA PRO A 55 -1.245 9.941 -7.416 1.00 62.12 C ATOM 769 C PRO A 55 0.071 9.223 -7.105 1.00 11.30 C ATOM 770 O PRO A 55 1.069 9.395 -7.812 1.00 13.01 O ATOM 771 CB PRO A 55 -1.116 11.437 -7.126 1.00 64.51 C ATOM 772 CG PRO A 55 -1.614 11.581 -5.738 1.00 42.12 C ATOM 773 CD PRO A 55 -2.725 10.584 -5.599 1.00 32.10 C ATOM 0 HA PRO A 55 -1.460 9.718 -8.461 1.00 62.12 H new ATOM 0 HB2 PRO A 55 -0.083 11.773 -7.216 1.00 64.51 H new ATOM 0 HB3 PRO A 55 -1.706 12.031 -7.825 1.00 64.51 H new ATOM 0 HG2 PRO A 55 -0.821 11.387 -5.016 1.00 42.12 H new ATOM 0 HG3 PRO A 55 -1.972 12.594 -5.554 1.00 42.12 H new ATOM 0 HD2 PRO A 55 -2.815 10.225 -4.574 1.00 32.10 H new ATOM 0 HD3 PRO A 55 -3.688 11.017 -5.871 1.00 32.10 H new ATOM 781 N ASN A 56 0.068 8.488 -5.982 1.00 13.20 N ATOM 782 CA ASN A 56 1.199 7.679 -5.516 1.00 21.33 C ATOM 783 C ASN A 56 1.759 6.806 -6.633 1.00 12.15 C ATOM 784 O ASN A 56 2.964 6.774 -6.873 1.00 41.15 O ATOM 785 CB ASN A 56 0.778 6.812 -4.281 1.00 14.41 C ATOM 786 CG ASN A 56 -0.538 6.043 -4.403 1.00 20.31 C ATOM 787 OD1 ASN A 56 -0.966 5.645 -5.476 1.00 3.53 O ATOM 788 ND2 ASN A 56 -1.191 5.837 -3.291 1.00 54.43 N ATOM 0 H ASN A 56 -0.740 8.440 -5.361 1.00 13.20 H new ATOM 0 HA ASN A 56 1.994 8.358 -5.206 1.00 21.33 H new ATOM 0 HB2 ASN A 56 1.574 6.095 -4.080 1.00 14.41 H new ATOM 0 HB3 ASN A 56 0.711 7.466 -3.412 1.00 14.41 H new ATOM 0 HD21 ASN A 56 -2.078 5.334 -3.306 1.00 54.43 H new ATOM 0 HD22 ASN A 56 -0.814 6.179 -2.407 1.00 54.43 H new ATOM 795 N ALA A 57 0.859 6.172 -7.330 1.00 70.42 N ATOM 796 CA ALA A 57 1.133 5.291 -8.428 1.00 4.53 C ATOM 797 C ALA A 57 -0.187 4.951 -9.073 1.00 75.15 C ATOM 798 O ALA A 57 -0.313 4.930 -10.302 1.00 52.53 O ATOM 799 CB ALA A 57 1.820 4.009 -7.948 1.00 4.52 C ATOM 0 H ALA A 57 -0.138 6.261 -7.136 1.00 70.42 H new ATOM 0 HA ALA A 57 1.804 5.778 -9.135 1.00 4.53 H new ATOM 0 HB1 ALA A 57 2.016 3.360 -8.801 1.00 4.52 H new ATOM 0 HB2 ALA A 57 2.762 4.261 -7.461 1.00 4.52 H new ATOM 0 HB3 ALA A 57 1.172 3.492 -7.240 1.00 4.52 H new ATOM 805 N GLY A 58 -1.197 4.730 -8.221 1.00 71.10 N ATOM 806 CA GLY A 58 -2.514 4.362 -8.694 1.00 35.42 C ATOM 807 C GLY A 58 -2.466 3.029 -9.369 1.00 61.11 C ATOM 808 O GLY A 58 -3.019 2.843 -10.450 1.00 14.01 O ATOM 0 H GLY A 58 -1.116 4.802 -7.207 1.00 71.10 H new ATOM 0 HA2 GLY A 58 -3.213 4.330 -7.858 1.00 35.42 H new ATOM 0 HA3 GLY A 58 -2.883 5.117 -9.389 1.00 35.42 H new ATOM 812 N ALA A 59 -1.809 2.104 -8.725 1.00 2.23 N ATOM 813 CA ALA A 59 -1.548 0.822 -9.286 1.00 1.24 C ATOM 814 C ALA A 59 -1.647 -0.205 -8.195 1.00 75.42 C ATOM 815 O ALA A 59 -1.959 0.137 -7.039 1.00 40.32 O ATOM 816 CB ALA A 59 -0.148 0.816 -9.902 1.00 63.11 C ATOM 0 H ALA A 59 -1.438 2.229 -7.783 1.00 2.23 H new ATOM 0 HA ALA A 59 -2.272 0.591 -10.067 1.00 1.24 H new ATOM 0 HB1 ALA A 59 0.056 -0.164 -10.333 1.00 63.11 H new ATOM 0 HB2 ALA A 59 -0.091 1.574 -10.683 1.00 63.11 H new ATOM 0 HB3 ALA A 59 0.590 1.034 -9.130 1.00 63.11 H new ATOM 822 N ARG A 60 -1.396 -1.429 -8.533 1.00 25.33 N ATOM 823 CA ARG A 60 -1.444 -2.499 -7.594 1.00 61.10 C ATOM 824 C ARG A 60 -0.328 -3.479 -7.871 1.00 2.45 C ATOM 825 O ARG A 60 -0.106 -3.878 -9.019 1.00 14.33 O ATOM 826 CB ARG A 60 -2.826 -3.157 -7.622 1.00 15.50 C ATOM 827 CG ARG A 60 -3.302 -3.598 -8.987 1.00 73.33 C ATOM 828 CD ARG A 60 -4.753 -3.985 -8.928 1.00 50.35 C ATOM 829 NE ARG A 60 -5.271 -4.383 -10.225 1.00 4.32 N ATOM 830 CZ ARG A 60 -6.315 -3.816 -10.838 1.00 41.14 C ATOM 831 NH1 ARG A 60 -6.825 -2.668 -10.387 1.00 34.41 N ATOM 832 NH2 ARG A 60 -6.816 -4.375 -11.925 1.00 3.44 N ATOM 0 H ARG A 60 -1.149 -1.715 -9.480 1.00 25.33 H new ATOM 0 HA ARG A 60 -1.291 -2.115 -6.585 1.00 61.10 H new ATOM 0 HB2 ARG A 60 -2.811 -4.025 -6.962 1.00 15.50 H new ATOM 0 HB3 ARG A 60 -3.553 -2.456 -7.210 1.00 15.50 H new ATOM 0 HG2 ARG A 60 -3.162 -2.792 -9.707 1.00 73.33 H new ATOM 0 HG3 ARG A 60 -2.706 -4.443 -9.333 1.00 73.33 H new ATOM 0 HD2 ARG A 60 -4.879 -4.805 -8.222 1.00 50.35 H new ATOM 0 HD3 ARG A 60 -5.335 -3.145 -8.549 1.00 50.35 H new ATOM 0 HE ARG A 60 -4.803 -5.153 -10.704 1.00 4.32 H new ATOM 0 HH11 ARG A 60 -6.418 -2.216 -9.568 1.00 34.41 H new ATOM 0 HH12 ARG A 60 -7.622 -2.243 -10.861 1.00 34.41 H new ATOM 0 HH21 ARG A 60 -6.406 -5.234 -12.292 1.00 3.44 H new ATOM 0 HH22 ARG A 60 -7.612 -3.948 -12.398 1.00 3.44 H new ATOM 846 N PHE A 61 0.385 -3.849 -6.838 1.00 71.54 N ATOM 847 CA PHE A 61 1.519 -4.731 -6.973 1.00 30.30 C ATOM 848 C PHE A 61 1.804 -5.504 -5.702 1.00 44.21 C ATOM 849 O PHE A 61 1.399 -5.099 -4.611 1.00 30.02 O ATOM 850 CB PHE A 61 2.777 -4.020 -7.554 1.00 53.03 C ATOM 851 CG PHE A 61 3.233 -2.760 -6.863 1.00 25.44 C ATOM 852 CD1 PHE A 61 2.655 -1.535 -7.174 1.00 60.55 C ATOM 853 CD2 PHE A 61 4.258 -2.794 -5.937 1.00 52.15 C ATOM 854 CE1 PHE A 61 3.085 -0.376 -6.568 1.00 0.20 C ATOM 855 CE2 PHE A 61 4.698 -1.634 -5.331 1.00 32.30 C ATOM 856 CZ PHE A 61 4.108 -0.422 -5.647 1.00 23.32 C ATOM 0 H PHE A 61 0.198 -3.549 -5.881 1.00 71.54 H new ATOM 0 HA PHE A 61 1.239 -5.474 -7.719 1.00 30.30 H new ATOM 0 HB2 PHE A 61 3.603 -4.731 -7.542 1.00 53.03 H new ATOM 0 HB3 PHE A 61 2.578 -3.780 -8.599 1.00 53.03 H new ATOM 0 HD1 PHE A 61 1.858 -1.492 -7.901 1.00 60.55 H new ATOM 0 HD2 PHE A 61 4.720 -3.737 -5.685 1.00 52.15 H new ATOM 0 HE1 PHE A 61 2.621 0.568 -6.814 1.00 0.20 H new ATOM 0 HE2 PHE A 61 5.502 -1.672 -4.611 1.00 32.30 H new ATOM 0 HZ PHE A 61 4.449 0.486 -5.172 1.00 23.32 H new ATOM 866 N LEU A 62 2.432 -6.635 -5.873 1.00 14.13 N ATOM 867 CA LEU A 62 2.740 -7.566 -4.803 1.00 64.14 C ATOM 868 C LEU A 62 4.001 -7.124 -4.037 1.00 40.32 C ATOM 869 O LEU A 62 4.956 -6.637 -4.637 1.00 13.14 O ATOM 870 CB LEU A 62 2.862 -8.985 -5.432 1.00 32.25 C ATOM 871 CG LEU A 62 3.265 -10.170 -4.540 1.00 23.43 C ATOM 872 CD1 LEU A 62 2.783 -11.467 -5.176 1.00 40.55 C ATOM 873 CD2 LEU A 62 4.781 -10.245 -4.397 1.00 60.14 C ATOM 0 H LEU A 62 2.757 -6.951 -6.787 1.00 14.13 H new ATOM 0 HA LEU A 62 1.946 -7.586 -4.057 1.00 64.14 H new ATOM 0 HB2 LEU A 62 1.900 -9.227 -5.884 1.00 32.25 H new ATOM 0 HB3 LEU A 62 3.588 -8.923 -6.242 1.00 32.25 H new ATOM 0 HG LEU A 62 2.814 -10.029 -3.558 1.00 23.43 H new ATOM 0 HD11 LEU A 62 3.068 -12.309 -4.545 1.00 40.55 H new ATOM 0 HD12 LEU A 62 1.698 -11.441 -5.279 1.00 40.55 H new ATOM 0 HD13 LEU A 62 3.238 -11.581 -6.160 1.00 40.55 H new ATOM 0 HD21 LEU A 62 5.045 -11.091 -3.762 1.00 60.14 H new ATOM 0 HD22 LEU A 62 5.233 -10.375 -5.380 1.00 60.14 H new ATOM 0 HD23 LEU A 62 5.150 -9.324 -3.946 1.00 60.14 H new ATOM 885 N LEU A 63 3.978 -7.263 -2.718 1.00 22.25 N ATOM 886 CA LEU A 63 5.118 -6.893 -1.883 1.00 12.22 C ATOM 887 C LEU A 63 5.892 -8.129 -1.475 1.00 60.41 C ATOM 888 O LEU A 63 5.367 -8.990 -0.767 1.00 4.45 O ATOM 889 CB LEU A 63 4.701 -6.139 -0.589 1.00 34.33 C ATOM 890 CG LEU A 63 3.973 -4.792 -0.722 1.00 53.34 C ATOM 891 CD1 LEU A 63 4.687 -3.869 -1.695 1.00 3.13 C ATOM 892 CD2 LEU A 63 2.507 -4.973 -1.079 1.00 4.44 C ATOM 0 H LEU A 63 3.180 -7.631 -2.200 1.00 22.25 H new ATOM 0 HA LEU A 63 5.732 -6.226 -2.488 1.00 12.22 H new ATOM 0 HB2 LEU A 63 4.061 -6.805 -0.010 1.00 34.33 H new ATOM 0 HB3 LEU A 63 5.602 -5.971 0.001 1.00 34.33 H new ATOM 0 HG LEU A 63 3.999 -4.311 0.256 1.00 53.34 H new ATOM 0 HD11 LEU A 63 4.146 -2.926 -1.765 1.00 3.13 H new ATOM 0 HD12 LEU A 63 5.700 -3.680 -1.341 1.00 3.13 H new ATOM 0 HD13 LEU A 63 4.728 -4.338 -2.678 1.00 3.13 H new ATOM 0 HD21 LEU A 63 2.030 -3.997 -1.163 1.00 4.44 H new ATOM 0 HD22 LEU A 63 2.426 -5.500 -2.030 1.00 4.44 H new ATOM 0 HD23 LEU A 63 2.012 -5.553 -0.300 1.00 4.44 H new ATOM 904 N ASP A 64 7.122 -8.224 -1.920 1.00 33.40 N ATOM 905 CA ASP A 64 7.990 -9.341 -1.540 1.00 2.11 C ATOM 906 C ASP A 64 9.105 -8.802 -0.642 1.00 40.43 C ATOM 907 O ASP A 64 9.910 -9.540 -0.076 1.00 1.42 O ATOM 908 CB ASP A 64 8.582 -10.000 -2.806 1.00 15.51 C ATOM 909 CG ASP A 64 9.373 -11.275 -2.532 1.00 71.02 C ATOM 910 OD1 ASP A 64 8.745 -12.338 -2.309 1.00 54.21 O ATOM 911 OD2 ASP A 64 10.637 -11.248 -2.572 1.00 72.04 O ATOM 0 H ASP A 64 7.556 -7.546 -2.547 1.00 33.40 H new ATOM 0 HA ASP A 64 7.420 -10.097 -1.000 1.00 2.11 H new ATOM 0 HB2 ASP A 64 7.770 -10.230 -3.496 1.00 15.51 H new ATOM 0 HB3 ASP A 64 9.232 -9.282 -3.306 1.00 15.51 H new ATOM 916 N GLN A 65 9.101 -7.497 -0.489 1.00 5.43 N ATOM 917 CA GLN A 65 10.116 -6.786 0.246 1.00 32.23 C ATOM 918 C GLN A 65 9.859 -6.911 1.742 1.00 73.15 C ATOM 919 O GLN A 65 8.785 -6.533 2.208 1.00 52.40 O ATOM 920 CB GLN A 65 10.156 -5.283 -0.142 1.00 74.12 C ATOM 921 CG GLN A 65 10.440 -4.959 -1.622 1.00 55.40 C ATOM 922 CD GLN A 65 9.289 -5.283 -2.572 1.00 5.32 C ATOM 923 OE1 GLN A 65 9.193 -6.386 -3.112 1.00 4.10 O ATOM 924 NE2 GLN A 65 8.404 -4.345 -2.766 1.00 73.13 N ATOM 0 H GLN A 65 8.379 -6.892 -0.880 1.00 5.43 H new ATOM 0 HA GLN A 65 11.078 -7.232 -0.006 1.00 32.23 H new ATOM 0 HB2 GLN A 65 9.199 -4.836 0.127 1.00 74.12 H new ATOM 0 HB3 GLN A 65 10.918 -4.795 0.466 1.00 74.12 H new ATOM 0 HG2 GLN A 65 10.680 -3.899 -1.710 1.00 55.40 H new ATOM 0 HG3 GLN A 65 11.324 -5.513 -1.939 1.00 55.40 H new ATOM 0 HE21 GLN A 65 8.510 -3.441 -2.305 1.00 73.13 H new ATOM 0 HE22 GLN A 65 7.606 -4.515 -3.378 1.00 73.13 H new ATOM 933 N PRO A 66 10.851 -7.423 2.521 1.00 71.35 N ATOM 934 CA PRO A 66 10.716 -7.593 3.987 1.00 33.43 C ATOM 935 C PRO A 66 10.480 -6.249 4.684 1.00 53.51 C ATOM 936 O PRO A 66 9.881 -6.162 5.766 1.00 73.31 O ATOM 937 CB PRO A 66 12.065 -8.194 4.412 1.00 14.11 C ATOM 938 CG PRO A 66 12.998 -7.909 3.285 1.00 64.02 C ATOM 939 CD PRO A 66 12.167 -7.887 2.039 1.00 43.44 C ATOM 0 HA PRO A 66 9.866 -8.220 4.256 1.00 33.43 H new ATOM 0 HB2 PRO A 66 12.420 -7.745 5.339 1.00 14.11 H new ATOM 0 HB3 PRO A 66 11.979 -9.266 4.589 1.00 14.11 H new ATOM 0 HG2 PRO A 66 13.503 -6.954 3.431 1.00 64.02 H new ATOM 0 HG3 PRO A 66 13.773 -8.673 3.221 1.00 64.02 H new ATOM 0 HD2 PRO A 66 12.582 -7.213 1.290 1.00 43.44 H new ATOM 0 HD3 PRO A 66 12.103 -8.874 1.580 1.00 43.44 H new ATOM 947 N THR A 67 10.974 -5.223 4.070 1.00 45.11 N ATOM 948 CA THR A 67 10.756 -3.895 4.485 1.00 2.44 C ATOM 949 C THR A 67 10.422 -3.088 3.244 1.00 52.10 C ATOM 950 O THR A 67 11.209 -3.017 2.311 1.00 61.22 O ATOM 951 CB THR A 67 11.995 -3.328 5.205 1.00 32.23 C ATOM 952 OG1 THR A 67 12.278 -4.151 6.355 1.00 71.31 O ATOM 953 CG2 THR A 67 11.752 -1.897 5.662 1.00 55.25 C ATOM 0 H THR A 67 11.559 -5.300 3.238 1.00 45.11 H new ATOM 0 HA THR A 67 9.936 -3.847 5.201 1.00 2.44 H new ATOM 0 HB THR A 67 12.837 -3.330 4.513 1.00 32.23 H new ATOM 0 HG1 THR A 67 13.066 -3.802 6.821 1.00 71.31 H new ATOM 0 HG21 THR A 67 12.641 -1.520 6.167 1.00 55.25 H new ATOM 0 HG22 THR A 67 11.533 -1.271 4.797 1.00 55.25 H new ATOM 0 HG23 THR A 67 10.907 -1.873 6.350 1.00 55.25 H new ATOM 961 N THR A 68 9.243 -2.572 3.217 1.00 54.34 N ATOM 962 CA THR A 68 8.759 -1.803 2.128 1.00 72.30 C ATOM 963 C THR A 68 8.752 -0.324 2.527 1.00 71.12 C ATOM 964 O THR A 68 8.048 0.090 3.460 1.00 63.24 O ATOM 965 CB THR A 68 7.347 -2.282 1.750 1.00 1.30 C ATOM 966 OG1 THR A 68 7.389 -3.683 1.420 1.00 51.02 O ATOM 967 CG2 THR A 68 6.794 -1.514 0.572 1.00 52.42 C ATOM 0 H THR A 68 8.570 -2.678 3.976 1.00 54.34 H new ATOM 0 HA THR A 68 9.405 -1.927 1.259 1.00 72.30 H new ATOM 0 HB THR A 68 6.695 -2.110 2.606 1.00 1.30 H new ATOM 0 HG1 THR A 68 6.490 -3.990 1.181 1.00 51.02 H new ATOM 0 HG21 THR A 68 5.795 -1.881 0.335 1.00 52.42 H new ATOM 0 HG22 THR A 68 6.742 -0.454 0.821 1.00 52.42 H new ATOM 0 HG23 THR A 68 7.446 -1.652 -0.291 1.00 52.42 H new ATOM 975 N THR A 69 9.568 0.430 1.869 1.00 43.53 N ATOM 976 CA THR A 69 9.712 1.836 2.121 1.00 10.41 C ATOM 977 C THR A 69 8.624 2.654 1.403 1.00 13.51 C ATOM 978 O THR A 69 8.373 2.456 0.200 1.00 11.51 O ATOM 979 CB THR A 69 11.115 2.275 1.672 1.00 12.14 C ATOM 980 OG1 THR A 69 11.348 1.822 0.333 1.00 11.32 O ATOM 981 CG2 THR A 69 12.172 1.672 2.575 1.00 35.14 C ATOM 0 H THR A 69 10.170 0.083 1.122 1.00 43.53 H new ATOM 0 HA THR A 69 9.591 2.021 3.188 1.00 10.41 H new ATOM 0 HB THR A 69 11.172 3.362 1.723 1.00 12.14 H new ATOM 0 HG1 THR A 69 11.682 0.901 0.353 1.00 11.32 H new ATOM 0 HG21 THR A 69 13.160 1.993 2.244 1.00 35.14 H new ATOM 0 HG22 THR A 69 12.008 2.004 3.600 1.00 35.14 H new ATOM 0 HG23 THR A 69 12.110 0.585 2.532 1.00 35.14 H new ATOM 989 N ALA A 70 7.964 3.544 2.145 1.00 24.23 N ATOM 990 CA ALA A 70 6.920 4.378 1.592 1.00 70.11 C ATOM 991 C ALA A 70 7.383 5.827 1.477 1.00 64.32 C ATOM 992 O ALA A 70 7.677 6.500 2.491 1.00 31.05 O ATOM 993 CB ALA A 70 5.653 4.278 2.423 1.00 4.52 C ATOM 0 H ALA A 70 8.143 3.699 3.137 1.00 24.23 H new ATOM 0 HA ALA A 70 6.696 4.017 0.588 1.00 70.11 H new ATOM 0 HB1 ALA A 70 4.882 4.914 1.988 1.00 4.52 H new ATOM 0 HB2 ALA A 70 5.307 3.244 2.436 1.00 4.52 H new ATOM 0 HB3 ALA A 70 5.860 4.604 3.442 1.00 4.52 H new ATOM 999 N GLY A 71 7.461 6.278 0.262 1.00 52.03 N ATOM 1000 CA GLY A 71 7.889 7.601 -0.076 1.00 33.12 C ATOM 1001 C GLY A 71 8.165 7.583 -1.537 1.00 55.44 C ATOM 1002 O GLY A 71 7.629 6.699 -2.229 1.00 52.02 O ATOM 0 H GLY A 71 7.219 5.713 -0.552 1.00 52.03 H new ATOM 0 HA2 GLY A 71 7.119 8.334 0.166 1.00 33.12 H new ATOM 0 HA3 GLY A 71 8.781 7.878 0.486 1.00 33.12 H new ATOM 1006 N ARG A 72 8.957 8.496 -2.048 1.00 12.31 N ATOM 1007 CA ARG A 72 9.313 8.402 -3.445 1.00 63.23 C ATOM 1008 C ARG A 72 10.576 9.183 -3.748 1.00 32.21 C ATOM 1009 O ARG A 72 10.499 10.325 -4.224 1.00 53.33 O ATOM 1010 CB ARG A 72 8.173 8.860 -4.358 1.00 1.50 C ATOM 1011 CG ARG A 72 8.297 8.349 -5.777 1.00 13.03 C ATOM 1012 CD ARG A 72 7.190 8.891 -6.657 1.00 0.52 C ATOM 1013 NE ARG A 72 7.376 10.315 -6.956 1.00 75.24 N ATOM 1014 CZ ARG A 72 6.503 11.287 -6.691 1.00 55.22 C ATOM 1015 NH1 ARG A 72 5.505 11.082 -5.852 1.00 65.12 N ATOM 1016 NH2 ARG A 72 6.691 12.493 -7.205 1.00 35.21 N ATOM 0 H ARG A 72 9.355 9.286 -1.540 1.00 12.31 H new ATOM 0 HA ARG A 72 9.502 7.348 -3.649 1.00 63.23 H new ATOM 0 HB2 ARG A 72 7.225 8.523 -3.940 1.00 1.50 H new ATOM 0 HB3 ARG A 72 8.145 9.950 -4.373 1.00 1.50 H new ATOM 0 HG2 ARG A 72 9.265 8.639 -6.187 1.00 13.03 H new ATOM 0 HG3 ARG A 72 8.264 7.259 -5.777 1.00 13.03 H new ATOM 0 HD2 ARG A 72 7.157 8.326 -7.588 1.00 0.52 H new ATOM 0 HD3 ARG A 72 6.229 8.746 -6.162 1.00 0.52 H new ATOM 0 HE ARG A 72 8.250 10.585 -7.406 1.00 75.24 H new ATOM 0 HH11 ARG A 72 5.397 10.174 -5.400 1.00 65.12 H new ATOM 0 HH12 ARG A 72 4.842 11.832 -5.655 1.00 65.12 H new ATOM 0 HH21 ARG A 72 7.500 12.674 -7.800 1.00 35.21 H new ATOM 0 HH22 ARG A 72 6.027 13.241 -7.006 1.00 35.21 H new ATOM 1030 N HIS A 73 11.729 8.603 -3.403 1.00 31.52 N ATOM 1031 CA HIS A 73 13.036 9.203 -3.715 1.00 33.10 C ATOM 1032 C HIS A 73 14.240 8.302 -3.317 1.00 33.34 C ATOM 1033 O HIS A 73 14.779 7.633 -4.193 1.00 73.23 O ATOM 1034 CB HIS A 73 13.208 10.671 -3.204 1.00 34.23 C ATOM 1035 CG HIS A 73 14.451 11.367 -3.704 1.00 51.03 C ATOM 1036 ND1 HIS A 73 14.445 12.335 -4.681 1.00 73.51 N ATOM 1037 CD2 HIS A 73 15.743 11.239 -3.322 1.00 11.32 C ATOM 1038 CE1 HIS A 73 15.698 12.752 -4.861 1.00 1.12 C ATOM 1039 NE2 HIS A 73 16.529 12.117 -4.052 1.00 32.32 N ATOM 0 H HIS A 73 11.787 7.715 -2.905 1.00 31.52 H new ATOM 0 HA HIS A 73 13.042 9.269 -4.803 1.00 33.10 H new ATOM 0 HB2 HIS A 73 12.336 11.251 -3.505 1.00 34.23 H new ATOM 0 HB3 HIS A 73 13.225 10.663 -2.114 1.00 34.23 H new ATOM 0 HD2 HIS A 73 16.105 10.558 -2.566 1.00 11.32 H new ATOM 0 HE1 HIS A 73 15.995 13.508 -5.573 1.00 1.12 H new ATOM 0 HE2 HIS A 73 17.538 12.246 -3.980 1.00 32.32 H new ATOM 1047 N PRO A 74 14.659 8.214 -1.990 1.00 53.44 N ATOM 1048 CA PRO A 74 15.939 7.545 -1.629 1.00 20.42 C ATOM 1049 C PRO A 74 15.933 6.046 -1.895 1.00 22.24 C ATOM 1050 O PRO A 74 16.876 5.503 -2.453 1.00 75.42 O ATOM 1051 CB PRO A 74 16.052 7.803 -0.115 1.00 50.43 C ATOM 1052 CG PRO A 74 14.650 8.008 0.353 1.00 25.15 C ATOM 1053 CD PRO A 74 13.935 8.691 -0.774 1.00 4.05 C ATOM 0 HA PRO A 74 16.768 7.931 -2.223 1.00 20.42 H new ATOM 0 HB2 PRO A 74 16.518 6.959 0.394 1.00 50.43 H new ATOM 0 HB3 PRO A 74 16.668 8.679 0.090 1.00 50.43 H new ATOM 0 HG2 PRO A 74 14.177 7.057 0.596 1.00 25.15 H new ATOM 0 HG3 PRO A 74 14.625 8.617 1.257 1.00 25.15 H new ATOM 0 HD2 PRO A 74 12.880 8.419 -0.803 1.00 4.05 H new ATOM 0 HD3 PRO A 74 13.982 9.776 -0.679 1.00 4.05 H new ATOM 1061 N GLU A 75 14.832 5.437 -1.560 1.00 31.14 N ATOM 1062 CA GLU A 75 14.545 4.044 -1.666 1.00 12.11 C ATOM 1063 C GLU A 75 13.076 4.000 -1.460 1.00 44.52 C ATOM 1064 O GLU A 75 12.569 4.474 -0.431 1.00 5.13 O ATOM 1065 CB GLU A 75 15.251 3.157 -0.588 1.00 34.34 C ATOM 1066 CG GLU A 75 16.774 3.096 -0.690 1.00 43.50 C ATOM 1067 CD GLU A 75 17.405 2.070 0.212 1.00 1.15 C ATOM 1068 OE1 GLU A 75 17.476 2.296 1.437 1.00 2.33 O ATOM 1069 OE2 GLU A 75 17.887 1.032 -0.293 1.00 11.10 O ATOM 0 H GLU A 75 14.044 5.955 -1.171 1.00 31.14 H new ATOM 0 HA GLU A 75 14.900 3.644 -2.616 1.00 12.11 H new ATOM 0 HB2 GLU A 75 14.984 3.533 0.400 1.00 34.34 H new ATOM 0 HB3 GLU A 75 14.857 2.143 -0.661 1.00 34.34 H new ATOM 0 HG2 GLU A 75 17.051 2.878 -1.721 1.00 43.50 H new ATOM 0 HG3 GLU A 75 17.184 4.077 -0.451 1.00 43.50 H new ATOM 1076 N SER A 76 12.393 3.623 -2.449 1.00 24.31 N ATOM 1077 CA SER A 76 10.973 3.558 -2.391 1.00 23.34 C ATOM 1078 C SER A 76 10.497 2.274 -3.028 1.00 54.14 C ATOM 1079 O SER A 76 10.536 2.114 -4.250 1.00 61.12 O ATOM 1080 CB SER A 76 10.398 4.797 -3.068 1.00 32.32 C ATOM 1081 OG SER A 76 10.980 5.967 -2.469 1.00 55.32 O ATOM 0 H SER A 76 12.793 3.342 -3.345 1.00 24.31 H new ATOM 0 HA SER A 76 10.625 3.549 -1.358 1.00 23.34 H new ATOM 0 HB2 SER A 76 10.610 4.775 -4.137 1.00 32.32 H new ATOM 0 HB3 SER A 76 9.314 4.817 -2.959 1.00 32.32 H new ATOM 0 HG SER A 76 10.524 6.163 -1.624 1.00 55.32 H new ATOM 1087 N ASP A 77 10.133 1.335 -2.188 1.00 20.12 N ATOM 1088 CA ASP A 77 9.657 0.031 -2.636 1.00 11.53 C ATOM 1089 C ASP A 77 8.273 0.169 -3.179 1.00 34.43 C ATOM 1090 O ASP A 77 7.859 -0.562 -4.088 1.00 32.42 O ATOM 1091 CB ASP A 77 9.703 -0.999 -1.515 1.00 24.52 C ATOM 1092 CG ASP A 77 11.087 -1.180 -0.973 1.00 53.43 C ATOM 1093 OD1 ASP A 77 11.967 -1.688 -1.701 1.00 75.22 O ATOM 1094 OD2 ASP A 77 11.332 -0.778 0.179 1.00 62.53 O ATOM 0 H ASP A 77 10.155 1.445 -1.174 1.00 20.12 H new ATOM 0 HA ASP A 77 10.319 -0.329 -3.424 1.00 11.53 H new ATOM 0 HB2 ASP A 77 9.037 -0.688 -0.710 1.00 24.52 H new ATOM 0 HB3 ASP A 77 9.331 -1.954 -1.886 1.00 24.52 H new ATOM 1099 N ILE A 78 7.551 1.095 -2.607 1.00 53.15 N ATOM 1100 CA ILE A 78 6.291 1.496 -3.129 1.00 71.01 C ATOM 1101 C ILE A 78 6.393 2.953 -3.453 1.00 62.21 C ATOM 1102 O ILE A 78 7.015 3.723 -2.704 1.00 43.34 O ATOM 1103 CB ILE A 78 5.076 1.247 -2.183 1.00 4.12 C ATOM 1104 CG1 ILE A 78 5.255 1.931 -0.818 1.00 41.14 C ATOM 1105 CG2 ILE A 78 4.814 -0.238 -2.024 1.00 71.41 C ATOM 1106 CD1 ILE A 78 4.036 1.833 0.079 1.00 71.21 C ATOM 0 H ILE A 78 7.831 1.590 -1.760 1.00 53.15 H new ATOM 0 HA ILE A 78 6.088 0.880 -4.005 1.00 71.01 H new ATOM 0 HB ILE A 78 4.202 1.700 -2.650 1.00 4.12 H new ATOM 0 HG12 ILE A 78 6.108 1.484 -0.307 1.00 41.14 H new ATOM 0 HG13 ILE A 78 5.494 2.982 -0.977 1.00 41.14 H new ATOM 0 HG21 ILE A 78 3.963 -0.388 -1.360 1.00 71.41 H new ATOM 0 HG22 ILE A 78 4.596 -0.675 -2.998 1.00 71.41 H new ATOM 0 HG23 ILE A 78 5.695 -0.719 -1.599 1.00 71.41 H new ATOM 0 HD11 ILE A 78 4.238 2.338 1.024 1.00 71.21 H new ATOM 0 HD12 ILE A 78 3.185 2.306 -0.411 1.00 71.21 H new ATOM 0 HD13 ILE A 78 3.808 0.784 0.270 1.00 71.21 H new ATOM 1118 N PHE A 79 5.862 3.325 -4.561 1.00 71.00 N ATOM 1119 CA PHE A 79 5.882 4.693 -4.964 1.00 52.41 C ATOM 1120 C PHE A 79 4.695 5.385 -4.338 1.00 54.30 C ATOM 1121 O PHE A 79 3.552 4.941 -4.479 1.00 31.20 O ATOM 1122 CB PHE A 79 5.889 4.809 -6.495 1.00 60.12 C ATOM 1123 CG PHE A 79 7.156 4.267 -7.136 1.00 20.13 C ATOM 1124 CD1 PHE A 79 7.360 2.900 -7.279 1.00 4.01 C ATOM 1125 CD2 PHE A 79 8.145 5.129 -7.578 1.00 73.14 C ATOM 1126 CE1 PHE A 79 8.517 2.411 -7.850 1.00 52.24 C ATOM 1127 CE2 PHE A 79 9.305 4.645 -8.149 1.00 1.01 C ATOM 1128 CZ PHE A 79 9.491 3.285 -8.284 1.00 45.11 C ATOM 0 H PHE A 79 5.401 2.694 -5.217 1.00 71.00 H new ATOM 0 HA PHE A 79 6.794 5.181 -4.620 1.00 52.41 H new ATOM 0 HB2 PHE A 79 5.029 4.272 -6.896 1.00 60.12 H new ATOM 0 HB3 PHE A 79 5.769 5.856 -6.773 1.00 60.12 H new ATOM 0 HD1 PHE A 79 6.602 2.210 -6.938 1.00 4.01 H new ATOM 0 HD2 PHE A 79 8.007 6.195 -7.475 1.00 73.14 H new ATOM 0 HE1 PHE A 79 8.659 1.346 -7.957 1.00 52.24 H new ATOM 0 HE2 PHE A 79 10.066 5.331 -8.490 1.00 1.01 H new ATOM 0 HZ PHE A 79 10.399 2.905 -8.729 1.00 45.11 H new ATOM 1138 N LEU A 80 4.963 6.427 -3.614 1.00 13.13 N ATOM 1139 CA LEU A 80 3.961 7.105 -2.882 1.00 43.43 C ATOM 1140 C LEU A 80 3.905 8.551 -3.314 1.00 34.23 C ATOM 1141 O LEU A 80 4.874 9.089 -3.863 1.00 22.40 O ATOM 1142 CB LEU A 80 4.247 6.990 -1.373 1.00 61.35 C ATOM 1143 CG LEU A 80 3.157 7.509 -0.424 1.00 31.34 C ATOM 1144 CD1 LEU A 80 1.881 6.702 -0.584 1.00 13.22 C ATOM 1145 CD2 LEU A 80 3.634 7.462 1.011 1.00 25.05 C ATOM 0 H LEU A 80 5.896 6.828 -3.519 1.00 13.13 H new ATOM 0 HA LEU A 80 2.991 6.649 -3.081 1.00 43.43 H new ATOM 0 HB2 LEU A 80 4.430 5.941 -1.140 1.00 61.35 H new ATOM 0 HB3 LEU A 80 5.170 7.530 -1.159 1.00 61.35 H new ATOM 0 HG LEU A 80 2.944 8.546 -0.683 1.00 31.34 H new ATOM 0 HD11 LEU A 80 1.121 7.085 0.097 1.00 13.22 H new ATOM 0 HD12 LEU A 80 1.524 6.785 -1.611 1.00 13.22 H new ATOM 0 HD13 LEU A 80 2.081 5.656 -0.353 1.00 13.22 H new ATOM 0 HD21 LEU A 80 2.848 7.834 1.668 1.00 25.05 H new ATOM 0 HD22 LEU A 80 3.876 6.434 1.280 1.00 25.05 H new ATOM 0 HD23 LEU A 80 4.522 8.084 1.120 1.00 25.05 H new ATOM 1157 N ASP A 81 2.764 9.143 -3.114 1.00 20.02 N ATOM 1158 CA ASP A 81 2.492 10.511 -3.407 1.00 24.30 C ATOM 1159 C ASP A 81 1.175 10.779 -2.760 1.00 44.32 C ATOM 1160 O ASP A 81 0.350 9.860 -2.636 1.00 40.21 O ATOM 1161 CB ASP A 81 2.378 10.766 -4.917 1.00 60.25 C ATOM 1162 CG ASP A 81 2.417 12.232 -5.302 1.00 24.14 C ATOM 1163 OD1 ASP A 81 1.508 12.984 -4.975 1.00 3.34 O ATOM 1164 OD2 ASP A 81 3.386 12.645 -5.957 1.00 60.41 O ATOM 0 H ASP A 81 1.959 8.655 -2.721 1.00 20.02 H new ATOM 0 HA ASP A 81 3.295 11.154 -3.047 1.00 24.30 H new ATOM 0 HB2 ASP A 81 3.191 10.246 -5.425 1.00 60.25 H new ATOM 0 HB3 ASP A 81 1.446 10.331 -5.279 1.00 60.25 H new ATOM 1169 N ASP A 82 0.995 11.965 -2.374 1.00 31.21 N ATOM 1170 CA ASP A 82 -0.166 12.449 -1.653 1.00 71.25 C ATOM 1171 C ASP A 82 -0.069 13.951 -1.638 1.00 73.23 C ATOM 1172 O ASP A 82 1.009 14.495 -1.923 1.00 13.40 O ATOM 1173 CB ASP A 82 -0.224 11.882 -0.199 1.00 51.24 C ATOM 1174 CG ASP A 82 -1.325 12.509 0.652 1.00 12.43 C ATOM 1175 OD1 ASP A 82 -2.506 12.179 0.469 1.00 63.21 O ATOM 1176 OD2 ASP A 82 -1.011 13.382 1.491 1.00 61.30 O ATOM 0 H ASP A 82 1.681 12.699 -2.548 1.00 31.21 H new ATOM 0 HA ASP A 82 -1.081 12.116 -2.143 1.00 71.25 H new ATOM 0 HB2 ASP A 82 -0.378 10.804 -0.243 1.00 51.24 H new ATOM 0 HB3 ASP A 82 0.738 12.047 0.286 1.00 51.24 H new ATOM 1181 N VAL A 83 -1.154 14.621 -1.323 1.00 45.14 N ATOM 1182 CA VAL A 83 -1.187 16.066 -1.273 1.00 14.40 C ATOM 1183 C VAL A 83 -0.244 16.609 -0.194 1.00 21.31 C ATOM 1184 O VAL A 83 0.189 17.760 -0.257 1.00 22.22 O ATOM 1185 CB VAL A 83 -2.626 16.608 -1.057 1.00 5.40 C ATOM 1186 CG1 VAL A 83 -3.519 16.216 -2.223 1.00 12.10 C ATOM 1187 CG2 VAL A 83 -3.220 16.103 0.254 1.00 30.20 C ATOM 0 H VAL A 83 -2.043 14.177 -1.093 1.00 45.14 H new ATOM 0 HA VAL A 83 -0.841 16.421 -2.244 1.00 14.40 H new ATOM 0 HB VAL A 83 -2.568 17.695 -1.003 1.00 5.40 H new ATOM 0 HG11 VAL A 83 -4.524 16.603 -2.057 1.00 12.10 H new ATOM 0 HG12 VAL A 83 -3.117 16.634 -3.146 1.00 12.10 H new ATOM 0 HG13 VAL A 83 -3.557 15.130 -2.303 1.00 12.10 H new ATOM 0 HG21 VAL A 83 -4.228 16.501 0.374 1.00 30.20 H new ATOM 0 HG22 VAL A 83 -3.259 15.014 0.240 1.00 30.20 H new ATOM 0 HG23 VAL A 83 -2.598 16.433 1.086 1.00 30.20 H new ATOM 1197 N THR A 84 0.057 15.793 0.800 1.00 32.21 N ATOM 1198 CA THR A 84 0.994 16.144 1.812 1.00 10.43 C ATOM 1199 C THR A 84 1.800 14.887 2.242 1.00 42.01 C ATOM 1200 O THR A 84 1.603 14.308 3.323 1.00 20.54 O ATOM 1201 CB THR A 84 0.300 16.869 3.001 1.00 62.34 C ATOM 1202 OG1 THR A 84 -0.434 18.007 2.494 1.00 72.11 O ATOM 1203 CG2 THR A 84 1.311 17.357 4.032 1.00 3.05 C ATOM 0 H THR A 84 -0.353 14.866 0.914 1.00 32.21 H new ATOM 0 HA THR A 84 1.708 16.863 1.410 1.00 10.43 H new ATOM 0 HB THR A 84 -0.368 16.158 3.487 1.00 62.34 H new ATOM 0 HG1 THR A 84 -0.876 18.469 3.237 1.00 72.11 H new ATOM 0 HG21 THR A 84 0.787 17.858 4.846 1.00 3.05 H new ATOM 0 HG22 THR A 84 1.867 16.507 4.427 1.00 3.05 H new ATOM 0 HG23 THR A 84 2.002 18.056 3.561 1.00 3.05 H new ATOM 1211 N VAL A 85 2.661 14.448 1.333 1.00 21.15 N ATOM 1212 CA VAL A 85 3.476 13.252 1.515 1.00 74.05 C ATOM 1213 C VAL A 85 4.867 13.626 2.044 1.00 50.23 C ATOM 1214 O VAL A 85 5.432 14.654 1.655 1.00 12.13 O ATOM 1215 CB VAL A 85 3.599 12.432 0.175 1.00 53.32 C ATOM 1216 CG1 VAL A 85 4.294 13.224 -0.928 1.00 53.52 C ATOM 1217 CG2 VAL A 85 4.290 11.093 0.397 1.00 31.41 C ATOM 0 H VAL A 85 2.815 14.916 0.440 1.00 21.15 H new ATOM 0 HA VAL A 85 2.979 12.619 2.250 1.00 74.05 H new ATOM 0 HB VAL A 85 2.580 12.235 -0.160 1.00 53.32 H new ATOM 0 HG11 VAL A 85 4.354 12.615 -1.830 1.00 53.52 H new ATOM 0 HG12 VAL A 85 3.726 14.130 -1.139 1.00 53.52 H new ATOM 0 HG13 VAL A 85 5.299 13.493 -0.604 1.00 53.52 H new ATOM 0 HG21 VAL A 85 4.356 10.556 -0.549 1.00 31.41 H new ATOM 0 HG22 VAL A 85 5.293 11.262 0.790 1.00 31.41 H new ATOM 0 HG23 VAL A 85 3.716 10.501 1.110 1.00 31.41 H new ATOM 1227 N SER A 86 5.390 12.841 2.956 1.00 2.50 N ATOM 1228 CA SER A 86 6.709 13.091 3.485 1.00 52.31 C ATOM 1229 C SER A 86 7.762 12.300 2.678 1.00 55.13 C ATOM 1230 O SER A 86 7.423 11.329 1.988 1.00 62.25 O ATOM 1231 CB SER A 86 6.760 12.703 4.974 1.00 75.40 C ATOM 1232 OG SER A 86 8.002 13.066 5.567 1.00 25.11 O ATOM 0 H SER A 86 4.922 12.024 3.347 1.00 2.50 H new ATOM 0 HA SER A 86 6.935 14.154 3.396 1.00 52.31 H new ATOM 0 HB2 SER A 86 5.945 13.193 5.507 1.00 75.40 H new ATOM 0 HB3 SER A 86 6.607 11.629 5.076 1.00 75.40 H new ATOM 0 HG SER A 86 8.001 12.808 6.512 1.00 25.11 H new ATOM 1238 N ARG A 87 9.029 12.738 2.769 1.00 23.11 N ATOM 1239 CA ARG A 87 10.173 12.083 2.112 1.00 43.23 C ATOM 1240 C ARG A 87 10.258 10.631 2.589 1.00 71.44 C ATOM 1241 O ARG A 87 10.405 9.692 1.798 1.00 64.03 O ATOM 1242 CB ARG A 87 11.464 12.837 2.488 1.00 52.34 C ATOM 1243 CG ARG A 87 12.755 12.278 1.886 1.00 24.43 C ATOM 1244 CD ARG A 87 12.785 12.385 0.367 1.00 14.14 C ATOM 1245 NE ARG A 87 12.682 13.775 -0.106 1.00 2.42 N ATOM 1246 CZ ARG A 87 13.462 14.338 -1.047 1.00 32.55 C ATOM 1247 NH1 ARG A 87 14.569 13.731 -1.456 1.00 31.44 N ATOM 1248 NH2 ARG A 87 13.160 15.540 -1.529 1.00 63.43 N ATOM 0 H ARG A 87 9.290 13.565 3.306 1.00 23.11 H new ATOM 0 HA ARG A 87 10.047 12.099 1.029 1.00 43.23 H new ATOM 0 HB2 ARG A 87 11.360 13.877 2.178 1.00 52.34 H new ATOM 0 HB3 ARG A 87 11.561 12.837 3.574 1.00 52.34 H new ATOM 0 HG2 ARG A 87 13.608 12.815 2.302 1.00 24.43 H new ATOM 0 HG3 ARG A 87 12.864 11.233 2.176 1.00 24.43 H new ATOM 0 HD2 ARG A 87 13.710 11.946 -0.006 1.00 14.14 H new ATOM 0 HD3 ARG A 87 11.965 11.802 -0.051 1.00 14.14 H new ATOM 0 HE ARG A 87 11.960 14.360 0.314 1.00 2.42 H new ATOM 0 HH11 ARG A 87 14.834 12.831 -1.057 1.00 31.44 H new ATOM 0 HH12 ARG A 87 15.155 14.165 -2.170 1.00 31.44 H new ATOM 0 HH21 ARG A 87 12.337 16.035 -1.185 1.00 63.43 H new ATOM 0 HH22 ARG A 87 13.751 15.967 -2.242 1.00 63.43 H new ATOM 1262 N ARG A 88 10.175 10.474 3.880 1.00 1.12 N ATOM 1263 CA ARG A 88 10.119 9.189 4.498 1.00 42.24 C ATOM 1264 C ARG A 88 8.793 9.170 5.223 1.00 72.13 C ATOM 1265 O ARG A 88 8.693 9.598 6.364 1.00 73.41 O ATOM 1266 CB ARG A 88 11.297 9.007 5.478 1.00 60.43 C ATOM 1267 CG ARG A 88 11.468 7.598 6.049 1.00 73.33 C ATOM 1268 CD ARG A 88 11.837 6.604 4.964 1.00 25.01 C ATOM 1269 NE ARG A 88 12.097 5.249 5.489 1.00 23.51 N ATOM 1270 CZ ARG A 88 12.881 4.336 4.883 1.00 71.23 C ATOM 1271 NH1 ARG A 88 13.486 4.628 3.735 1.00 75.52 N ATOM 1272 NH2 ARG A 88 13.050 3.131 5.423 1.00 14.21 N ATOM 0 H ARG A 88 10.144 11.252 4.539 1.00 1.12 H new ATOM 0 HA ARG A 88 10.198 8.375 3.777 1.00 42.24 H new ATOM 0 HB2 ARG A 88 12.218 9.287 4.967 1.00 60.43 H new ATOM 0 HB3 ARG A 88 11.168 9.703 6.307 1.00 60.43 H new ATOM 0 HG2 ARG A 88 12.242 7.606 6.816 1.00 73.33 H new ATOM 0 HG3 ARG A 88 10.543 7.285 6.533 1.00 73.33 H new ATOM 0 HD2 ARG A 88 11.030 6.556 4.233 1.00 25.01 H new ATOM 0 HD3 ARG A 88 12.723 6.960 4.438 1.00 25.01 H new ATOM 0 HE ARG A 88 11.654 4.986 6.369 1.00 23.51 H new ATOM 0 HH11 ARG A 88 13.357 5.546 3.310 1.00 75.52 H new ATOM 0 HH12 ARG A 88 14.079 3.934 3.280 1.00 75.52 H new ATOM 0 HH21 ARG A 88 12.585 2.895 6.300 1.00 14.21 H new ATOM 0 HH22 ARG A 88 13.645 2.444 4.960 1.00 14.21 H new ATOM 1286 N HIS A 89 7.764 8.784 4.521 1.00 64.12 N ATOM 1287 CA HIS A 89 6.422 8.879 5.054 1.00 20.04 C ATOM 1288 C HIS A 89 6.111 7.711 5.966 1.00 31.12 C ATOM 1289 O HIS A 89 5.719 7.894 7.115 1.00 54.52 O ATOM 1290 CB HIS A 89 5.400 9.004 3.906 1.00 24.24 C ATOM 1291 CG HIS A 89 3.983 9.265 4.345 1.00 21.11 C ATOM 1292 ND1 HIS A 89 3.452 10.539 4.343 1.00 32.41 N ATOM 1293 CD2 HIS A 89 3.039 8.390 4.765 1.00 3.43 C ATOM 1294 CE1 HIS A 89 2.198 10.398 4.764 1.00 61.42 C ATOM 1295 NE2 HIS A 89 1.912 9.114 5.031 1.00 33.00 N ATOM 0 H HIS A 89 7.823 8.400 3.578 1.00 64.12 H new ATOM 0 HA HIS A 89 6.351 9.780 5.663 1.00 20.04 H new ATOM 0 HB2 HIS A 89 5.715 9.811 3.245 1.00 24.24 H new ATOM 0 HB3 HIS A 89 5.420 8.086 3.319 1.00 24.24 H new ATOM 0 HD2 HIS A 89 3.155 7.321 4.870 1.00 3.43 H new ATOM 0 HE1 HIS A 89 1.499 11.213 4.877 1.00 61.42 H new ATOM 0 HE2 HIS A 89 1.022 8.748 5.369 1.00 33.00 H new ATOM 1303 N ALA A 90 6.318 6.526 5.484 1.00 62.53 N ATOM 1304 CA ALA A 90 6.006 5.373 6.265 1.00 72.24 C ATOM 1305 C ALA A 90 6.967 4.266 5.961 1.00 70.51 C ATOM 1306 O ALA A 90 7.666 4.293 4.936 1.00 35.21 O ATOM 1307 CB ALA A 90 4.567 4.924 6.006 1.00 54.53 C ATOM 0 H ALA A 90 6.700 6.333 4.558 1.00 62.53 H new ATOM 0 HA ALA A 90 6.098 5.631 7.320 1.00 72.24 H new ATOM 0 HB1 ALA A 90 4.346 4.044 6.610 1.00 54.53 H new ATOM 0 HB2 ALA A 90 3.881 5.728 6.273 1.00 54.53 H new ATOM 0 HB3 ALA A 90 4.446 4.680 4.951 1.00 54.53 H new ATOM 1313 N GLU A 91 7.048 3.333 6.845 1.00 71.41 N ATOM 1314 CA GLU A 91 7.841 2.164 6.616 1.00 73.21 C ATOM 1315 C GLU A 91 7.007 0.953 6.946 1.00 3.13 C ATOM 1316 O GLU A 91 6.426 0.872 8.022 1.00 44.33 O ATOM 1317 CB GLU A 91 9.117 2.203 7.462 1.00 1.04 C ATOM 1318 CG GLU A 91 10.072 1.047 7.212 1.00 21.23 C ATOM 1319 CD GLU A 91 11.362 1.202 7.963 1.00 72.04 C ATOM 1320 OE1 GLU A 91 12.116 2.135 7.655 1.00 54.20 O ATOM 1321 OE2 GLU A 91 11.660 0.401 8.881 1.00 75.31 O ATOM 0 H GLU A 91 6.570 3.353 7.746 1.00 71.41 H new ATOM 0 HA GLU A 91 8.149 2.121 5.571 1.00 73.21 H new ATOM 0 HB2 GLU A 91 9.640 3.139 7.266 1.00 1.04 H new ATOM 0 HB3 GLU A 91 8.839 2.208 8.516 1.00 1.04 H new ATOM 0 HG2 GLU A 91 9.593 0.113 7.506 1.00 21.23 H new ATOM 0 HG3 GLU A 91 10.282 0.976 6.145 1.00 21.23 H new ATOM 1328 N PHE A 92 6.927 0.042 6.031 1.00 25.20 N ATOM 1329 CA PHE A 92 6.171 -1.156 6.226 1.00 52.10 C ATOM 1330 C PHE A 92 7.102 -2.313 6.432 1.00 31.12 C ATOM 1331 O PHE A 92 7.979 -2.567 5.617 1.00 12.14 O ATOM 1332 CB PHE A 92 5.226 -1.406 5.033 1.00 3.40 C ATOM 1333 CG PHE A 92 4.525 -2.747 5.060 1.00 34.33 C ATOM 1334 CD1 PHE A 92 3.583 -3.030 6.028 1.00 50.33 C ATOM 1335 CD2 PHE A 92 4.821 -3.724 4.117 1.00 15.44 C ATOM 1336 CE1 PHE A 92 2.950 -4.249 6.063 1.00 11.54 C ATOM 1337 CE2 PHE A 92 4.190 -4.948 4.148 1.00 24.40 C ATOM 1338 CZ PHE A 92 3.251 -5.210 5.120 1.00 12.25 C ATOM 0 H PHE A 92 7.386 0.107 5.122 1.00 25.20 H new ATOM 0 HA PHE A 92 5.552 -1.045 7.116 1.00 52.10 H new ATOM 0 HB2 PHE A 92 4.474 -0.617 5.010 1.00 3.40 H new ATOM 0 HB3 PHE A 92 5.799 -1.328 4.109 1.00 3.40 H new ATOM 0 HD1 PHE A 92 3.340 -2.283 6.769 1.00 50.33 H new ATOM 0 HD2 PHE A 92 5.555 -3.521 3.351 1.00 15.44 H new ATOM 0 HE1 PHE A 92 2.217 -4.455 6.829 1.00 11.54 H new ATOM 0 HE2 PHE A 92 4.431 -5.700 3.412 1.00 24.40 H new ATOM 0 HZ PHE A 92 2.751 -6.167 5.144 1.00 12.25 H new ATOM 1348 N ARG A 93 6.941 -2.986 7.514 1.00 33.24 N ATOM 1349 CA ARG A 93 7.721 -4.139 7.797 1.00 0.05 C ATOM 1350 C ARG A 93 6.807 -5.325 7.789 1.00 34.45 C ATOM 1351 O ARG A 93 5.691 -5.267 8.328 1.00 22.50 O ATOM 1352 CB ARG A 93 8.454 -4.016 9.139 1.00 22.50 C ATOM 1353 CG ARG A 93 9.483 -2.888 9.182 1.00 74.23 C ATOM 1354 CD ARG A 93 10.221 -2.867 10.513 1.00 13.30 C ATOM 1355 NE ARG A 93 11.251 -1.818 10.561 1.00 40.32 N ATOM 1356 CZ ARG A 93 12.302 -1.804 11.395 1.00 52.23 C ATOM 1357 NH1 ARG A 93 12.512 -2.807 12.259 1.00 22.12 N ATOM 1358 NH2 ARG A 93 13.144 -0.790 11.362 1.00 1.40 N ATOM 0 H ARG A 93 6.259 -2.751 8.235 1.00 33.24 H new ATOM 0 HA ARG A 93 8.494 -4.252 7.037 1.00 0.05 H new ATOM 0 HB2 ARG A 93 7.720 -3.855 9.929 1.00 22.50 H new ATOM 0 HB3 ARG A 93 8.955 -4.960 9.356 1.00 22.50 H new ATOM 0 HG2 ARG A 93 10.198 -3.013 8.369 1.00 74.23 H new ATOM 0 HG3 ARG A 93 8.985 -1.931 9.024 1.00 74.23 H new ATOM 0 HD2 ARG A 93 9.506 -2.709 11.320 1.00 13.30 H new ATOM 0 HD3 ARG A 93 10.686 -3.838 10.684 1.00 13.30 H new ATOM 0 HE ARG A 93 11.159 -1.039 9.909 1.00 40.32 H new ATOM 0 HH11 ARG A 93 11.868 -3.597 12.290 1.00 22.12 H new ATOM 0 HH12 ARG A 93 13.316 -2.780 12.886 1.00 22.12 H new ATOM 0 HH21 ARG A 93 12.994 -0.024 10.706 1.00 1.40 H new ATOM 0 HH22 ARG A 93 13.945 -0.772 11.993 1.00 1.40 H new ATOM 1372 N ILE A 94 7.230 -6.378 7.187 1.00 63.14 N ATOM 1373 CA ILE A 94 6.398 -7.524 7.116 1.00 71.11 C ATOM 1374 C ILE A 94 7.034 -8.664 7.864 1.00 43.33 C ATOM 1375 O ILE A 94 8.226 -8.912 7.759 1.00 14.24 O ATOM 1376 CB ILE A 94 6.040 -7.933 5.642 1.00 74.34 C ATOM 1377 CG1 ILE A 94 5.106 -9.159 5.626 1.00 64.31 C ATOM 1378 CG2 ILE A 94 7.293 -8.191 4.808 1.00 24.43 C ATOM 1379 CD1 ILE A 94 4.668 -9.597 4.245 1.00 71.14 C ATOM 0 H ILE A 94 8.142 -6.470 6.739 1.00 63.14 H new ATOM 0 HA ILE A 94 5.450 -7.270 7.590 1.00 71.11 H new ATOM 0 HB ILE A 94 5.513 -7.094 5.187 1.00 74.34 H new ATOM 0 HG12 ILE A 94 5.612 -9.992 6.114 1.00 64.31 H new ATOM 0 HG13 ILE A 94 4.220 -8.933 6.219 1.00 64.31 H new ATOM 0 HG21 ILE A 94 7.004 -8.471 3.795 1.00 24.43 H new ATOM 0 HG22 ILE A 94 7.901 -7.287 4.775 1.00 24.43 H new ATOM 0 HG23 ILE A 94 7.869 -8.999 5.258 1.00 24.43 H new ATOM 0 HD11 ILE A 94 4.014 -10.465 4.329 1.00 71.14 H new ATOM 0 HD12 ILE A 94 4.130 -8.783 3.759 1.00 71.14 H new ATOM 0 HD13 ILE A 94 5.544 -9.859 3.651 1.00 71.14 H new ATOM 1391 N ASN A 95 6.249 -9.266 8.679 1.00 52.43 N ATOM 1392 CA ASN A 95 6.614 -10.422 9.422 1.00 4.14 C ATOM 1393 C ASN A 95 5.830 -11.547 8.809 1.00 24.13 C ATOM 1394 O ASN A 95 4.705 -11.321 8.332 1.00 44.21 O ATOM 1395 CB ASN A 95 6.234 -10.240 10.907 1.00 3.42 C ATOM 1396 CG ASN A 95 6.550 -11.447 11.782 1.00 65.35 C ATOM 1397 OD1 ASN A 95 5.727 -12.356 11.925 1.00 70.44 O ATOM 1398 ND2 ASN A 95 7.708 -11.453 12.388 1.00 32.22 N ATOM 0 H ASN A 95 5.293 -8.956 8.856 1.00 52.43 H new ATOM 0 HA ASN A 95 7.687 -10.612 9.389 1.00 4.14 H new ATOM 0 HB2 ASN A 95 6.760 -9.371 11.302 1.00 3.42 H new ATOM 0 HB3 ASN A 95 5.168 -10.025 10.974 1.00 3.42 H new ATOM 0 HD21 ASN A 95 7.957 -12.227 13.004 1.00 32.22 H new ATOM 0 HD22 ASN A 95 8.362 -10.684 12.245 1.00 32.22 H new ATOM 1405 N GLU A 96 6.387 -12.727 8.772 1.00 55.32 N ATOM 1406 CA GLU A 96 5.717 -13.875 8.190 1.00 10.53 C ATOM 1407 C GLU A 96 4.324 -14.140 8.799 1.00 23.52 C ATOM 1408 O GLU A 96 3.460 -14.724 8.135 1.00 41.42 O ATOM 1409 CB GLU A 96 6.601 -15.153 8.164 1.00 23.05 C ATOM 1410 CG GLU A 96 7.447 -15.421 9.414 1.00 75.14 C ATOM 1411 CD GLU A 96 8.742 -14.627 9.433 1.00 71.23 C ATOM 1412 OE1 GLU A 96 8.740 -13.445 9.840 1.00 23.33 O ATOM 1413 OE2 GLU A 96 9.788 -15.166 9.036 1.00 44.21 O ATOM 0 H GLU A 96 7.316 -12.927 9.142 1.00 55.32 H new ATOM 0 HA GLU A 96 5.546 -13.604 7.148 1.00 10.53 H new ATOM 0 HB2 GLU A 96 5.953 -16.014 7.999 1.00 23.05 H new ATOM 0 HB3 GLU A 96 7.270 -15.089 7.306 1.00 23.05 H new ATOM 0 HG2 GLU A 96 6.863 -15.175 10.301 1.00 75.14 H new ATOM 0 HG3 GLU A 96 7.678 -16.485 9.469 1.00 75.14 H new ATOM 1420 N GLY A 97 4.089 -13.663 10.013 1.00 54.05 N ATOM 1421 CA GLY A 97 2.795 -13.834 10.624 1.00 15.11 C ATOM 1422 C GLY A 97 2.058 -12.517 10.911 1.00 31.40 C ATOM 1423 O GLY A 97 0.983 -12.542 11.502 1.00 31.21 O ATOM 0 H GLY A 97 4.772 -13.162 10.581 1.00 54.05 H new ATOM 0 HA2 GLY A 97 2.176 -14.450 9.972 1.00 15.11 H new ATOM 0 HA3 GLY A 97 2.916 -14.381 11.559 1.00 15.11 H new ATOM 1427 N GLU A 98 2.598 -11.368 10.480 1.00 0.03 N ATOM 1428 CA GLU A 98 1.942 -10.075 10.779 1.00 12.31 C ATOM 1429 C GLU A 98 2.454 -8.952 9.858 1.00 20.41 C ATOM 1430 O GLU A 98 3.600 -8.959 9.441 1.00 52.31 O ATOM 1431 CB GLU A 98 2.121 -9.710 12.270 1.00 60.31 C ATOM 1432 CG GLU A 98 1.328 -8.495 12.735 1.00 62.22 C ATOM 1433 CD GLU A 98 1.404 -8.289 14.226 1.00 44.21 C ATOM 1434 OE1 GLU A 98 0.565 -8.855 14.962 1.00 41.24 O ATOM 1435 OE2 GLU A 98 2.294 -7.565 14.698 1.00 51.44 O ATOM 0 H GLU A 98 3.460 -11.300 9.939 1.00 0.03 H new ATOM 0 HA GLU A 98 0.876 -10.185 10.582 1.00 12.31 H new ATOM 0 HB2 GLU A 98 1.831 -10.568 12.876 1.00 60.31 H new ATOM 0 HB3 GLU A 98 3.179 -9.529 12.460 1.00 60.31 H new ATOM 0 HG2 GLU A 98 1.704 -7.605 12.229 1.00 62.22 H new ATOM 0 HG3 GLU A 98 0.285 -8.612 12.441 1.00 62.22 H new ATOM 1442 N PHE A 99 1.594 -8.003 9.558 1.00 25.42 N ATOM 1443 CA PHE A 99 1.908 -6.912 8.636 1.00 31.12 C ATOM 1444 C PHE A 99 1.827 -5.588 9.404 1.00 35.25 C ATOM 1445 O PHE A 99 0.742 -5.216 9.842 1.00 40.24 O ATOM 1446 CB PHE A 99 0.851 -6.876 7.511 1.00 23.24 C ATOM 1447 CG PHE A 99 0.552 -8.204 6.857 1.00 61.02 C ATOM 1448 CD1 PHE A 99 1.357 -8.704 5.851 1.00 73.24 C ATOM 1449 CD2 PHE A 99 -0.553 -8.945 7.253 1.00 21.32 C ATOM 1450 CE1 PHE A 99 1.070 -9.916 5.252 1.00 62.20 C ATOM 1451 CE2 PHE A 99 -0.846 -10.152 6.658 1.00 73.34 C ATOM 1452 CZ PHE A 99 -0.033 -10.641 5.656 1.00 23.44 C ATOM 0 H PHE A 99 0.651 -7.958 9.944 1.00 25.42 H new ATOM 0 HA PHE A 99 2.903 -7.059 8.215 1.00 31.12 H new ATOM 0 HB2 PHE A 99 -0.076 -6.475 7.920 1.00 23.24 H new ATOM 0 HB3 PHE A 99 1.187 -6.180 6.743 1.00 23.24 H new ATOM 0 HD1 PHE A 99 2.221 -8.141 5.529 1.00 73.24 H new ATOM 0 HD2 PHE A 99 -1.192 -8.570 8.039 1.00 21.32 H new ATOM 0 HE1 PHE A 99 1.708 -10.296 4.468 1.00 62.20 H new ATOM 0 HE2 PHE A 99 -1.711 -10.715 6.975 1.00 73.34 H new ATOM 0 HZ PHE A 99 -0.259 -11.588 5.189 1.00 23.44 H new ATOM 1462 N GLU A 100 2.928 -4.879 9.575 1.00 11.40 N ATOM 1463 CA GLU A 100 2.877 -3.641 10.348 1.00 21.34 C ATOM 1464 C GLU A 100 3.581 -2.473 9.636 1.00 54.50 C ATOM 1465 O GLU A 100 4.675 -2.621 9.091 1.00 4.10 O ATOM 1466 CB GLU A 100 3.421 -3.865 11.765 1.00 61.15 C ATOM 1467 CG GLU A 100 3.312 -2.653 12.680 1.00 25.41 C ATOM 1468 CD GLU A 100 3.718 -2.967 14.089 1.00 61.41 C ATOM 1469 OE1 GLU A 100 4.912 -3.114 14.350 1.00 31.50 O ATOM 1470 OE2 GLU A 100 2.835 -3.096 14.965 1.00 44.24 O ATOM 0 H GLU A 100 3.846 -5.125 9.203 1.00 11.40 H new ATOM 0 HA GLU A 100 1.830 -3.351 10.433 1.00 21.34 H new ATOM 0 HB2 GLU A 100 2.884 -4.698 12.220 1.00 61.15 H new ATOM 0 HB3 GLU A 100 4.468 -4.160 11.697 1.00 61.15 H new ATOM 0 HG2 GLU A 100 3.940 -1.851 12.293 1.00 25.41 H new ATOM 0 HG3 GLU A 100 2.286 -2.286 12.673 1.00 25.41 H new ATOM 1477 N VAL A 101 2.936 -1.328 9.637 1.00 51.11 N ATOM 1478 CA VAL A 101 3.452 -0.138 9.004 1.00 4.10 C ATOM 1479 C VAL A 101 3.580 0.994 10.028 1.00 14.31 C ATOM 1480 O VAL A 101 2.664 1.245 10.809 1.00 54.22 O ATOM 1481 CB VAL A 101 2.563 0.306 7.789 1.00 54.34 C ATOM 1482 CG1 VAL A 101 1.115 0.584 8.199 1.00 21.00 C ATOM 1483 CG2 VAL A 101 3.159 1.511 7.067 1.00 31.05 C ATOM 0 H VAL A 101 2.028 -1.197 10.083 1.00 51.11 H new ATOM 0 HA VAL A 101 4.442 -0.371 8.612 1.00 4.10 H new ATOM 0 HB VAL A 101 2.550 -0.534 7.095 1.00 54.34 H new ATOM 0 HG11 VAL A 101 0.541 0.888 7.324 1.00 21.00 H new ATOM 0 HG12 VAL A 101 0.678 -0.319 8.624 1.00 21.00 H new ATOM 0 HG13 VAL A 101 1.094 1.382 8.941 1.00 21.00 H new ATOM 0 HG21 VAL A 101 2.516 1.789 6.232 1.00 31.05 H new ATOM 0 HG22 VAL A 101 3.237 2.349 7.760 1.00 31.05 H new ATOM 0 HG23 VAL A 101 4.151 1.257 6.692 1.00 31.05 H new ATOM 1493 N VAL A 102 4.717 1.634 10.048 1.00 51.21 N ATOM 1494 CA VAL A 102 4.952 2.737 10.950 1.00 45.34 C ATOM 1495 C VAL A 102 4.938 4.063 10.202 1.00 0.13 C ATOM 1496 O VAL A 102 5.521 4.187 9.114 1.00 70.12 O ATOM 1497 CB VAL A 102 6.271 2.588 11.774 1.00 54.24 C ATOM 1498 CG1 VAL A 102 6.194 1.381 12.687 1.00 25.31 C ATOM 1499 CG2 VAL A 102 7.491 2.474 10.869 1.00 64.45 C ATOM 0 H VAL A 102 5.507 1.410 9.443 1.00 51.21 H new ATOM 0 HA VAL A 102 4.132 2.723 11.668 1.00 45.34 H new ATOM 0 HB VAL A 102 6.380 3.489 12.377 1.00 54.24 H new ATOM 0 HG11 VAL A 102 7.121 1.293 13.253 1.00 25.31 H new ATOM 0 HG12 VAL A 102 5.358 1.499 13.376 1.00 25.31 H new ATOM 0 HG13 VAL A 102 6.047 0.481 12.089 1.00 25.31 H new ATOM 0 HG21 VAL A 102 8.388 2.372 11.479 1.00 64.45 H new ATOM 0 HG22 VAL A 102 7.387 1.599 10.227 1.00 64.45 H new ATOM 0 HG23 VAL A 102 7.571 3.369 10.252 1.00 64.45 H new ATOM 1509 N ASP A 103 4.259 5.019 10.768 1.00 40.42 N ATOM 1510 CA ASP A 103 4.141 6.352 10.216 1.00 53.42 C ATOM 1511 C ASP A 103 5.285 7.173 10.774 1.00 43.02 C ATOM 1512 O ASP A 103 5.336 7.458 11.990 1.00 44.01 O ATOM 1513 CB ASP A 103 2.800 6.971 10.644 1.00 43.42 C ATOM 1514 CG ASP A 103 2.477 8.313 9.999 1.00 22.43 C ATOM 1515 OD1 ASP A 103 3.314 9.228 10.026 1.00 41.33 O ATOM 1516 OD2 ASP A 103 1.334 8.467 9.486 1.00 14.05 O ATOM 0 H ASP A 103 3.757 4.897 11.648 1.00 40.42 H new ATOM 0 HA ASP A 103 4.178 6.327 9.127 1.00 53.42 H new ATOM 0 HB2 ASP A 103 2.001 6.269 10.407 1.00 43.42 H new ATOM 0 HB3 ASP A 103 2.804 7.096 11.727 1.00 43.42 H new ATOM 1521 N VAL A 104 6.226 7.485 9.931 1.00 54.22 N ATOM 1522 CA VAL A 104 7.403 8.241 10.334 1.00 62.12 C ATOM 1523 C VAL A 104 7.429 9.617 9.677 1.00 2.51 C ATOM 1524 O VAL A 104 8.430 10.338 9.747 1.00 32.11 O ATOM 1525 CB VAL A 104 8.727 7.470 10.042 1.00 40.30 C ATOM 1526 CG1 VAL A 104 8.835 6.237 10.926 1.00 74.44 C ATOM 1527 CG2 VAL A 104 8.817 7.066 8.579 1.00 53.12 C ATOM 0 H VAL A 104 6.211 7.229 8.944 1.00 54.22 H new ATOM 0 HA VAL A 104 7.334 8.375 11.413 1.00 62.12 H new ATOM 0 HB VAL A 104 9.556 8.141 10.266 1.00 40.30 H new ATOM 0 HG11 VAL A 104 9.765 5.713 10.707 1.00 74.44 H new ATOM 0 HG12 VAL A 104 8.826 6.538 11.973 1.00 74.44 H new ATOM 0 HG13 VAL A 104 7.991 5.575 10.732 1.00 74.44 H new ATOM 0 HG21 VAL A 104 9.751 6.530 8.406 1.00 53.12 H new ATOM 0 HG22 VAL A 104 7.976 6.420 8.328 1.00 53.12 H new ATOM 0 HG23 VAL A 104 8.789 7.958 7.953 1.00 53.12 H new ATOM 1537 N GLY A 105 6.323 9.981 9.081 1.00 14.13 N ATOM 1538 CA GLY A 105 6.199 11.245 8.419 1.00 62.34 C ATOM 1539 C GLY A 105 4.817 11.770 8.607 1.00 73.50 C ATOM 1540 O GLY A 105 4.062 11.955 7.642 1.00 34.53 O ATOM 0 H GLY A 105 5.483 9.404 9.043 1.00 14.13 H new ATOM 0 HA2 GLY A 105 6.926 11.951 8.821 1.00 62.34 H new ATOM 0 HA3 GLY A 105 6.416 11.134 7.357 1.00 62.34 H new ATOM 1544 N SER A 106 4.486 12.024 9.851 1.00 50.02 N ATOM 1545 CA SER A 106 3.158 12.417 10.259 1.00 23.21 C ATOM 1546 C SER A 106 2.832 13.878 9.896 1.00 21.33 C ATOM 1547 O SER A 106 2.594 14.732 10.772 1.00 52.41 O ATOM 1548 CB SER A 106 3.026 12.171 11.750 1.00 14.14 C ATOM 1549 OG SER A 106 3.458 10.854 12.059 1.00 64.23 O ATOM 0 H SER A 106 5.147 11.962 10.625 1.00 50.02 H new ATOM 0 HA SER A 106 2.430 11.815 9.715 1.00 23.21 H new ATOM 0 HB2 SER A 106 3.621 12.898 12.302 1.00 14.14 H new ATOM 0 HB3 SER A 106 1.990 12.306 12.060 1.00 14.14 H new ATOM 0 HG SER A 106 3.263 10.260 11.304 1.00 64.23 H new ATOM 1555 N LEU A 107 2.854 14.160 8.616 1.00 14.54 N ATOM 1556 CA LEU A 107 2.494 15.457 8.106 1.00 2.15 C ATOM 1557 C LEU A 107 1.008 15.471 7.841 1.00 32.31 C ATOM 1558 O LEU A 107 0.293 16.367 8.265 1.00 72.32 O ATOM 1559 CB LEU A 107 3.250 15.762 6.807 1.00 44.31 C ATOM 1560 CG LEU A 107 4.780 15.757 6.876 1.00 12.42 C ATOM 1561 CD1 LEU A 107 5.363 16.061 5.506 1.00 71.34 C ATOM 1562 CD2 LEU A 107 5.282 16.763 7.903 1.00 33.10 C ATOM 0 H LEU A 107 3.124 13.490 7.896 1.00 14.54 H new ATOM 0 HA LEU A 107 2.759 16.218 8.840 1.00 2.15 H new ATOM 0 HB2 LEU A 107 2.942 15.034 6.057 1.00 44.31 H new ATOM 0 HB3 LEU A 107 2.930 16.741 6.451 1.00 44.31 H new ATOM 0 HG LEU A 107 5.108 14.766 7.188 1.00 12.42 H new ATOM 0 HD11 LEU A 107 6.451 16.055 5.564 1.00 71.34 H new ATOM 0 HD12 LEU A 107 5.034 15.304 4.794 1.00 71.34 H new ATOM 0 HD13 LEU A 107 5.022 17.042 5.175 1.00 71.34 H new ATOM 0 HD21 LEU A 107 6.371 16.740 7.933 1.00 33.10 H new ATOM 0 HD22 LEU A 107 4.948 17.763 7.626 1.00 33.10 H new ATOM 0 HD23 LEU A 107 4.887 16.507 8.886 1.00 33.10 H new ATOM 1574 N ASN A 108 0.547 14.458 7.153 1.00 12.11 N ATOM 1575 CA ASN A 108 -0.858 14.350 6.807 1.00 72.12 C ATOM 1576 C ASN A 108 -1.464 13.142 7.511 1.00 13.21 C ATOM 1577 O ASN A 108 -2.632 13.163 7.912 1.00 22.34 O ATOM 1578 CB ASN A 108 -0.991 14.299 5.286 1.00 2.22 C ATOM 1579 CG ASN A 108 -2.409 14.475 4.744 1.00 74.31 C ATOM 1580 OD1 ASN A 108 -3.330 14.952 5.441 1.00 13.21 O ATOM 1581 ND2 ASN A 108 -2.567 14.223 3.470 1.00 72.00 N ATOM 0 H ASN A 108 1.125 13.688 6.816 1.00 12.11 H new ATOM 0 HA ASN A 108 -1.418 15.220 7.149 1.00 72.12 H new ATOM 0 HB2 ASN A 108 -0.358 15.075 4.857 1.00 2.22 H new ATOM 0 HB3 ASN A 108 -0.603 13.342 4.937 1.00 2.22 H new ATOM 0 HD21 ASN A 108 -3.461 14.416 3.019 1.00 72.00 H new ATOM 0 HD22 ASN A 108 -1.796 13.834 2.928 1.00 72.00 H new ATOM 1588 N GLY A 109 -0.656 12.106 7.688 1.00 21.33 N ATOM 1589 CA GLY A 109 -1.066 10.986 8.500 1.00 71.11 C ATOM 1590 C GLY A 109 -1.504 9.769 7.724 1.00 0.23 C ATOM 1591 O GLY A 109 -2.164 9.872 6.684 1.00 23.14 O ATOM 0 H GLY A 109 0.276 12.024 7.282 1.00 21.33 H new ATOM 0 HA2 GLY A 109 -0.239 10.706 9.152 1.00 71.11 H new ATOM 0 HA3 GLY A 109 -1.886 11.303 9.144 1.00 71.11 H new ATOM 1595 N THR A 110 -1.095 8.636 8.205 1.00 12.10 N ATOM 1596 CA THR A 110 -1.499 7.367 7.688 1.00 35.30 C ATOM 1597 C THR A 110 -2.661 6.835 8.562 1.00 20.35 C ATOM 1598 O THR A 110 -2.655 6.999 9.792 1.00 74.34 O ATOM 1599 CB THR A 110 -0.297 6.410 7.742 1.00 14.25 C ATOM 1600 OG1 THR A 110 0.845 7.094 7.183 1.00 25.30 O ATOM 1601 CG2 THR A 110 -0.566 5.142 6.940 1.00 40.41 C ATOM 0 H THR A 110 -0.451 8.568 8.993 1.00 12.10 H new ATOM 0 HA THR A 110 -1.836 7.451 6.655 1.00 35.30 H new ATOM 0 HB THR A 110 -0.114 6.121 8.777 1.00 14.25 H new ATOM 0 HG1 THR A 110 1.230 7.693 7.857 1.00 25.30 H new ATOM 0 HG21 THR A 110 0.302 4.485 6.997 1.00 40.41 H new ATOM 0 HG22 THR A 110 -1.437 4.630 7.350 1.00 40.41 H new ATOM 0 HG23 THR A 110 -0.756 5.403 5.899 1.00 40.41 H new ATOM 1609 N TYR A 111 -3.663 6.270 7.939 1.00 25.24 N ATOM 1610 CA TYR A 111 -4.837 5.787 8.637 1.00 72.33 C ATOM 1611 C TYR A 111 -5.140 4.382 8.189 1.00 33.52 C ATOM 1612 O TYR A 111 -4.796 3.999 7.079 1.00 44.51 O ATOM 1613 CB TYR A 111 -6.078 6.629 8.271 1.00 5.10 C ATOM 1614 CG TYR A 111 -5.999 8.111 8.536 1.00 30.24 C ATOM 1615 CD1 TYR A 111 -5.318 8.963 7.672 1.00 51.11 C ATOM 1616 CD2 TYR A 111 -6.622 8.664 9.632 1.00 52.23 C ATOM 1617 CE1 TYR A 111 -5.257 10.316 7.910 1.00 22.40 C ATOM 1618 CE2 TYR A 111 -6.569 10.016 9.874 1.00 60.33 C ATOM 1619 CZ TYR A 111 -5.887 10.837 9.011 1.00 31.13 C ATOM 1620 OH TYR A 111 -5.832 12.199 9.257 1.00 32.05 O ATOM 0 H TYR A 111 -3.692 6.129 6.929 1.00 25.24 H new ATOM 0 HA TYR A 111 -4.632 5.844 9.706 1.00 72.33 H new ATOM 0 HB2 TYR A 111 -6.285 6.485 7.211 1.00 5.10 H new ATOM 0 HB3 TYR A 111 -6.932 6.231 8.820 1.00 5.10 H new ATOM 0 HD1 TYR A 111 -4.829 8.555 6.800 1.00 51.11 H new ATOM 0 HD2 TYR A 111 -7.162 8.024 10.314 1.00 52.23 H new ATOM 0 HE1 TYR A 111 -4.717 10.963 7.235 1.00 22.40 H new ATOM 0 HE2 TYR A 111 -7.062 10.431 10.740 1.00 60.33 H new ATOM 0 HH TYR A 111 -6.330 12.404 10.076 1.00 32.05 H new ATOM 1630 N VAL A 112 -5.742 3.619 9.036 1.00 64.35 N ATOM 1631 CA VAL A 112 -6.303 2.348 8.621 1.00 52.14 C ATOM 1632 C VAL A 112 -7.746 2.293 9.097 1.00 24.14 C ATOM 1633 O VAL A 112 -8.010 2.421 10.291 1.00 42.10 O ATOM 1634 CB VAL A 112 -5.471 1.105 9.080 1.00 35.21 C ATOM 1635 CG1 VAL A 112 -5.353 1.032 10.575 1.00 41.31 C ATOM 1636 CG2 VAL A 112 -6.061 -0.191 8.528 1.00 43.30 C ATOM 0 H VAL A 112 -5.866 3.840 10.024 1.00 64.35 H new ATOM 0 HA VAL A 112 -6.266 2.292 7.533 1.00 52.14 H new ATOM 0 HB VAL A 112 -4.468 1.228 8.672 1.00 35.21 H new ATOM 0 HG11 VAL A 112 -4.768 0.155 10.851 1.00 41.31 H new ATOM 0 HG12 VAL A 112 -4.858 1.930 10.945 1.00 41.31 H new ATOM 0 HG13 VAL A 112 -6.347 0.958 11.015 1.00 41.31 H new ATOM 0 HG21 VAL A 112 -5.461 -1.036 8.864 1.00 43.30 H new ATOM 0 HG22 VAL A 112 -7.084 -0.307 8.886 1.00 43.30 H new ATOM 0 HG23 VAL A 112 -6.060 -0.156 7.439 1.00 43.30 H new ATOM 1646 N ASN A 113 -8.675 2.186 8.148 1.00 35.31 N ATOM 1647 CA ASN A 113 -10.128 2.217 8.440 1.00 5.31 C ATOM 1648 C ASN A 113 -10.495 3.396 9.345 1.00 65.44 C ATOM 1649 O ASN A 113 -11.096 3.216 10.407 1.00 63.22 O ATOM 1650 CB ASN A 113 -10.633 0.874 9.027 1.00 75.23 C ATOM 1651 CG ASN A 113 -10.811 -0.220 7.980 1.00 61.43 C ATOM 1652 OD1 ASN A 113 -10.176 -0.216 6.917 1.00 72.21 O ATOM 1653 ND2 ASN A 113 -11.669 -1.169 8.260 1.00 5.24 N ATOM 0 H ASN A 113 -8.455 2.076 7.158 1.00 35.31 H new ATOM 0 HA ASN A 113 -10.639 2.361 7.488 1.00 5.31 H new ATOM 0 HB2 ASN A 113 -9.928 0.530 9.784 1.00 75.23 H new ATOM 0 HB3 ASN A 113 -11.585 1.042 9.531 1.00 75.23 H new ATOM 0 HD21 ASN A 113 -11.826 -1.927 7.596 1.00 5.24 H new ATOM 0 HD22 ASN A 113 -12.180 -1.150 9.143 1.00 5.24 H new ATOM 1660 N ARG A 114 -10.055 4.600 8.932 1.00 23.02 N ATOM 1661 CA ARG A 114 -10.279 5.882 9.659 1.00 70.42 C ATOM 1662 C ARG A 114 -9.415 6.052 10.913 1.00 14.50 C ATOM 1663 O ARG A 114 -9.265 7.172 11.399 1.00 61.51 O ATOM 1664 CB ARG A 114 -11.759 6.127 10.005 1.00 31.41 C ATOM 1665 CG ARG A 114 -12.643 6.450 8.822 1.00 74.43 C ATOM 1666 CD ARG A 114 -14.104 6.520 9.237 1.00 1.01 C ATOM 1667 NE ARG A 114 -14.358 7.499 10.308 1.00 12.33 N ATOM 1668 CZ ARG A 114 -15.371 7.411 11.193 1.00 50.34 C ATOM 1669 NH1 ARG A 114 -16.215 6.380 11.152 1.00 23.21 N ATOM 1670 NH2 ARG A 114 -15.526 8.354 12.116 1.00 71.24 N ATOM 0 H ARG A 114 -9.524 4.720 8.070 1.00 23.02 H new ATOM 0 HA ARG A 114 -9.961 6.641 8.944 1.00 70.42 H new ATOM 0 HB2 ARG A 114 -12.152 5.241 10.503 1.00 31.41 H new ATOM 0 HB3 ARG A 114 -11.819 6.948 10.720 1.00 31.41 H new ATOM 0 HG2 ARG A 114 -12.339 7.401 8.385 1.00 74.43 H new ATOM 0 HG3 ARG A 114 -12.516 5.690 8.051 1.00 74.43 H new ATOM 0 HD2 ARG A 114 -14.710 6.777 8.368 1.00 1.01 H new ATOM 0 HD3 ARG A 114 -14.428 5.534 9.571 1.00 1.01 H new ATOM 0 HE ARG A 114 -13.726 8.296 10.385 1.00 12.33 H new ATOM 0 HH11 ARG A 114 -16.096 5.652 10.448 1.00 23.21 H new ATOM 0 HH12 ARG A 114 -16.979 6.320 11.825 1.00 23.21 H new ATOM 0 HH21 ARG A 114 -14.879 9.142 12.154 1.00 71.24 H new ATOM 0 HH22 ARG A 114 -16.292 8.290 12.787 1.00 71.24 H new ATOM 1684 N GLU A 115 -8.854 4.976 11.422 1.00 11.51 N ATOM 1685 CA GLU A 115 -8.060 5.019 12.636 1.00 12.42 C ATOM 1686 C GLU A 115 -6.664 5.615 12.369 1.00 5.14 C ATOM 1687 O GLU A 115 -5.868 5.039 11.601 1.00 63.13 O ATOM 1688 CB GLU A 115 -7.963 3.612 13.246 1.00 5.23 C ATOM 1689 CG GLU A 115 -7.130 3.521 14.509 1.00 22.43 C ATOM 1690 CD GLU A 115 -7.178 2.148 15.126 1.00 22.32 C ATOM 1691 OE1 GLU A 115 -6.599 1.215 14.576 1.00 14.54 O ATOM 1692 OE2 GLU A 115 -7.790 1.984 16.193 1.00 44.55 O ATOM 0 H GLU A 115 -8.934 4.047 11.008 1.00 11.51 H new ATOM 0 HA GLU A 115 -8.554 5.673 13.354 1.00 12.42 H new ATOM 0 HB2 GLU A 115 -8.970 3.257 13.466 1.00 5.23 H new ATOM 0 HB3 GLU A 115 -7.542 2.937 12.501 1.00 5.23 H new ATOM 0 HG2 GLU A 115 -6.096 3.778 14.279 1.00 22.43 H new ATOM 0 HG3 GLU A 115 -7.488 4.255 15.231 1.00 22.43 H new ATOM 1699 N PRO A 116 -6.363 6.788 12.965 1.00 12.42 N ATOM 1700 CA PRO A 116 -5.085 7.442 12.819 1.00 25.34 C ATOM 1701 C PRO A 116 -4.103 7.039 13.914 1.00 44.10 C ATOM 1702 O PRO A 116 -4.221 7.470 15.061 1.00 12.40 O ATOM 1703 CB PRO A 116 -5.431 8.932 12.955 1.00 41.13 C ATOM 1704 CG PRO A 116 -6.734 8.993 13.708 1.00 73.52 C ATOM 1705 CD PRO A 116 -7.263 7.579 13.826 1.00 1.25 C ATOM 0 HA PRO A 116 -4.601 7.180 11.878 1.00 25.34 H new ATOM 0 HB2 PRO A 116 -4.646 9.467 13.490 1.00 41.13 H new ATOM 0 HB3 PRO A 116 -5.525 9.401 11.976 1.00 41.13 H new ATOM 0 HG2 PRO A 116 -6.585 9.429 14.696 1.00 73.52 H new ATOM 0 HG3 PRO A 116 -7.449 9.627 13.184 1.00 73.52 H new ATOM 0 HD2 PRO A 116 -7.238 7.228 14.858 1.00 1.25 H new ATOM 0 HD3 PRO A 116 -8.298 7.511 13.491 1.00 1.25 H new ATOM 1713 N ARG A 117 -3.180 6.182 13.589 1.00 62.42 N ATOM 1714 CA ARG A 117 -2.153 5.786 14.548 1.00 52.22 C ATOM 1715 C ARG A 117 -0.770 5.895 13.925 1.00 31.24 C ATOM 1716 O ARG A 117 -0.647 5.965 12.701 1.00 41.51 O ATOM 1717 CB ARG A 117 -2.443 4.389 15.139 1.00 31.45 C ATOM 1718 CG ARG A 117 -3.594 4.397 16.146 1.00 40.10 C ATOM 1719 CD ARG A 117 -4.026 3.005 16.590 1.00 44.24 C ATOM 1720 NE ARG A 117 -2.956 2.217 17.219 1.00 60.13 N ATOM 1721 CZ ARG A 117 -3.015 1.675 18.450 1.00 11.35 C ATOM 1722 NH1 ARG A 117 -4.070 1.901 19.243 1.00 12.54 N ATOM 1723 NH2 ARG A 117 -2.029 0.885 18.872 1.00 21.43 N ATOM 0 H ARG A 117 -3.105 5.737 12.674 1.00 62.42 H new ATOM 0 HA ARG A 117 -2.175 6.478 15.390 1.00 52.22 H new ATOM 0 HB2 ARG A 117 -2.680 3.699 14.329 1.00 31.45 H new ATOM 0 HB3 ARG A 117 -1.544 4.012 15.626 1.00 31.45 H new ATOM 0 HG2 ARG A 117 -3.295 4.972 17.022 1.00 40.10 H new ATOM 0 HG3 ARG A 117 -4.448 4.910 15.704 1.00 40.10 H new ATOM 0 HD2 ARG A 117 -4.854 3.100 17.293 1.00 44.24 H new ATOM 0 HD3 ARG A 117 -4.403 2.460 15.725 1.00 44.24 H new ATOM 0 HE ARG A 117 -2.102 2.069 16.681 1.00 60.13 H new ATOM 0 HH11 ARG A 117 -4.837 2.488 18.916 1.00 12.54 H new ATOM 0 HH12 ARG A 117 -4.106 1.486 20.174 1.00 12.54 H new ATOM 0 HH21 ARG A 117 -1.233 0.693 18.263 1.00 21.43 H new ATOM 0 HH22 ARG A 117 -2.070 0.472 19.804 1.00 21.43 H new ATOM 1737 N ASN A 118 0.260 5.941 14.754 1.00 73.33 N ATOM 1738 CA ASN A 118 1.635 6.107 14.260 1.00 45.21 C ATOM 1739 C ASN A 118 2.282 4.820 13.858 1.00 73.42 C ATOM 1740 O ASN A 118 3.362 4.812 13.290 1.00 64.32 O ATOM 1741 CB ASN A 118 2.522 6.926 15.192 1.00 60.44 C ATOM 1742 CG ASN A 118 2.412 8.402 14.895 1.00 12.12 C ATOM 1743 OD1 ASN A 118 1.567 9.114 15.450 1.00 20.22 O ATOM 1744 ND2 ASN A 118 3.243 8.871 13.999 1.00 62.24 N ATOM 0 H ASN A 118 0.181 5.867 15.768 1.00 73.33 H new ATOM 0 HA ASN A 118 1.529 6.694 13.348 1.00 45.21 H new ATOM 0 HB2 ASN A 118 2.237 6.739 16.227 1.00 60.44 H new ATOM 0 HB3 ASN A 118 3.559 6.607 15.084 1.00 60.44 H new ATOM 0 HD21 ASN A 118 3.207 9.856 13.736 1.00 62.24 H new ATOM 0 HD22 ASN A 118 3.926 8.251 13.563 1.00 62.24 H new ATOM 1751 N ALA A 119 1.640 3.750 14.158 1.00 33.53 N ATOM 1752 CA ALA A 119 2.028 2.467 13.674 1.00 14.34 C ATOM 1753 C ALA A 119 0.796 1.667 13.656 1.00 71.40 C ATOM 1754 O ALA A 119 -0.021 1.800 14.572 1.00 35.12 O ATOM 1755 CB ALA A 119 3.067 1.823 14.565 1.00 5.53 C ATOM 0 H ALA A 119 0.815 3.736 14.757 1.00 33.53 H new ATOM 0 HA ALA A 119 2.485 2.542 12.687 1.00 14.34 H new ATOM 0 HB1 ALA A 119 3.337 0.847 14.162 1.00 5.53 H new ATOM 0 HB2 ALA A 119 3.953 2.456 14.606 1.00 5.53 H new ATOM 0 HB3 ALA A 119 2.661 1.702 15.569 1.00 5.53 H new ATOM 1761 N GLN A 120 0.611 0.912 12.625 1.00 12.50 N ATOM 1762 CA GLN A 120 -0.557 0.109 12.479 1.00 12.32 C ATOM 1763 C GLN A 120 -0.314 -1.219 11.892 1.00 2.01 C ATOM 1764 O GLN A 120 0.560 -1.400 11.050 1.00 21.42 O ATOM 1765 CB GLN A 120 -1.670 0.815 11.734 1.00 61.44 C ATOM 1766 CG GLN A 120 -2.539 1.632 12.641 1.00 73.22 C ATOM 1767 CD GLN A 120 -3.126 0.778 13.748 1.00 42.24 C ATOM 1768 OE1 GLN A 120 -2.564 0.654 14.822 1.00 13.42 O ATOM 1769 NE2 GLN A 120 -4.221 0.154 13.483 1.00 10.13 N ATOM 0 H GLN A 120 1.273 0.834 11.853 1.00 12.50 H new ATOM 0 HA GLN A 120 -0.882 -0.057 13.506 1.00 12.32 H new ATOM 0 HB2 GLN A 120 -1.238 1.462 10.970 1.00 61.44 H new ATOM 0 HB3 GLN A 120 -2.283 0.076 11.217 1.00 61.44 H new ATOM 0 HG2 GLN A 120 -1.956 2.444 13.074 1.00 73.22 H new ATOM 0 HG3 GLN A 120 -3.343 2.089 12.065 1.00 73.22 H new ATOM 0 HE21 GLN A 120 -4.671 0.276 12.576 1.00 10.13 H new ATOM 0 HE22 GLN A 120 -4.639 -0.462 14.180 1.00 10.13 H new ATOM 1778 N VAL A 121 -1.121 -2.131 12.299 1.00 2.31 N ATOM 1779 CA VAL A 121 -1.116 -3.447 11.751 1.00 33.23 C ATOM 1780 C VAL A 121 -2.056 -3.405 10.563 1.00 71.34 C ATOM 1781 O VAL A 121 -3.217 -2.994 10.707 1.00 62.53 O ATOM 1782 CB VAL A 121 -1.632 -4.488 12.777 1.00 15.24 C ATOM 1783 CG1 VAL A 121 -1.472 -5.906 12.250 1.00 32.40 C ATOM 1784 CG2 VAL A 121 -0.921 -4.325 14.106 1.00 41.51 C ATOM 0 H VAL A 121 -1.815 -1.986 13.032 1.00 2.31 H new ATOM 0 HA VAL A 121 -0.104 -3.742 11.473 1.00 33.23 H new ATOM 0 HB VAL A 121 -2.696 -4.308 12.932 1.00 15.24 H new ATOM 0 HG11 VAL A 121 -1.843 -6.614 12.992 1.00 32.40 H new ATOM 0 HG12 VAL A 121 -2.040 -6.017 11.327 1.00 32.40 H new ATOM 0 HG13 VAL A 121 -0.418 -6.104 12.054 1.00 32.40 H new ATOM 0 HG21 VAL A 121 -1.297 -5.065 14.813 1.00 41.51 H new ATOM 0 HG22 VAL A 121 0.150 -4.469 13.966 1.00 41.51 H new ATOM 0 HG23 VAL A 121 -1.104 -3.324 14.496 1.00 41.51 H new ATOM 1794 N MET A 122 -1.565 -3.755 9.402 1.00 11.43 N ATOM 1795 CA MET A 122 -2.381 -3.723 8.205 1.00 2.25 C ATOM 1796 C MET A 122 -3.411 -4.816 8.232 1.00 20.24 C ATOM 1797 O MET A 122 -3.127 -5.945 8.650 1.00 53.35 O ATOM 1798 CB MET A 122 -1.557 -3.793 6.914 1.00 35.11 C ATOM 1799 CG MET A 122 -0.800 -2.523 6.573 1.00 35.13 C ATOM 1800 SD MET A 122 -0.010 -2.619 4.953 1.00 75.25 S ATOM 1801 CE MET A 122 0.614 -0.954 4.752 1.00 24.12 C ATOM 0 H MET A 122 -0.605 -4.066 9.255 1.00 11.43 H new ATOM 0 HA MET A 122 -2.885 -2.757 8.203 1.00 2.25 H new ATOM 0 HB2 MET A 122 -0.844 -4.613 6.999 1.00 35.11 H new ATOM 0 HB3 MET A 122 -2.224 -4.035 6.087 1.00 35.11 H new ATOM 0 HG2 MET A 122 -1.486 -1.676 6.592 1.00 35.13 H new ATOM 0 HG3 MET A 122 -0.043 -2.337 7.335 1.00 35.13 H new ATOM 0 HE1 MET A 122 0.500 -0.646 3.713 1.00 24.12 H new ATOM 0 HE2 MET A 122 0.054 -0.275 5.395 1.00 24.12 H new ATOM 0 HE3 MET A 122 1.669 -0.925 5.026 1.00 24.12 H new ATOM 1811 N GLN A 123 -4.592 -4.490 7.798 1.00 62.43 N ATOM 1812 CA GLN A 123 -5.671 -5.420 7.812 1.00 5.11 C ATOM 1813 C GLN A 123 -5.912 -5.912 6.402 1.00 12.31 C ATOM 1814 O GLN A 123 -5.998 -5.119 5.461 1.00 0.31 O ATOM 1815 CB GLN A 123 -6.940 -4.771 8.381 1.00 70.45 C ATOM 1816 CG GLN A 123 -8.101 -5.741 8.525 1.00 51.23 C ATOM 1817 CD GLN A 123 -7.802 -6.849 9.515 1.00 24.44 C ATOM 1818 OE1 GLN A 123 -7.086 -6.649 10.492 1.00 70.41 O ATOM 1819 NE2 GLN A 123 -8.302 -8.015 9.259 1.00 44.30 N ATOM 0 H GLN A 123 -4.830 -3.571 7.425 1.00 62.43 H new ATOM 0 HA GLN A 123 -5.414 -6.263 8.454 1.00 5.11 H new ATOM 0 HB2 GLN A 123 -6.713 -4.340 9.356 1.00 70.45 H new ATOM 0 HB3 GLN A 123 -7.241 -3.949 7.732 1.00 70.45 H new ATOM 0 HG2 GLN A 123 -8.989 -5.197 8.848 1.00 51.23 H new ATOM 0 HG3 GLN A 123 -8.331 -6.177 7.553 1.00 51.23 H new ATOM 0 HE21 GLN A 123 -8.893 -8.147 8.439 1.00 44.30 H new ATOM 0 HE22 GLN A 123 -8.105 -8.802 9.878 1.00 44.30 H new ATOM 1828 N THR A 124 -6.013 -7.195 6.264 1.00 1.05 N ATOM 1829 CA THR A 124 -6.214 -7.825 5.001 1.00 53.33 C ATOM 1830 C THR A 124 -7.675 -7.725 4.560 1.00 11.24 C ATOM 1831 O THR A 124 -8.584 -8.223 5.230 1.00 14.42 O ATOM 1832 CB THR A 124 -5.755 -9.290 5.095 1.00 21.22 C ATOM 1833 OG1 THR A 124 -6.030 -9.786 6.434 1.00 24.31 O ATOM 1834 CG2 THR A 124 -4.266 -9.410 4.796 1.00 5.32 C ATOM 0 H THR A 124 -5.957 -7.848 7.045 1.00 1.05 H new ATOM 0 HA THR A 124 -5.621 -7.313 4.243 1.00 53.33 H new ATOM 0 HB THR A 124 -6.299 -9.881 4.358 1.00 21.22 H new ATOM 0 HG1 THR A 124 -5.742 -10.720 6.502 1.00 24.31 H new ATOM 0 HG21 THR A 124 -3.963 -10.455 4.868 1.00 5.32 H new ATOM 0 HG22 THR A 124 -4.066 -9.043 3.789 1.00 5.32 H new ATOM 0 HG23 THR A 124 -3.701 -8.818 5.516 1.00 5.32 H new ATOM 1842 N GLY A 125 -7.893 -7.021 3.474 1.00 2.52 N ATOM 1843 CA GLY A 125 -9.219 -6.852 2.945 1.00 14.41 C ATOM 1844 C GLY A 125 -9.817 -5.526 3.351 1.00 62.11 C ATOM 1845 O GLY A 125 -10.997 -5.271 3.118 1.00 33.12 O ATOM 0 H GLY A 125 -7.161 -6.554 2.939 1.00 2.52 H new ATOM 0 HA2 GLY A 125 -9.188 -6.920 1.858 1.00 14.41 H new ATOM 0 HA3 GLY A 125 -9.857 -7.662 3.297 1.00 14.41 H new ATOM 1849 N ASP A 126 -9.006 -4.675 3.947 1.00 52.41 N ATOM 1850 CA ASP A 126 -9.470 -3.375 4.410 1.00 11.43 C ATOM 1851 C ASP A 126 -8.637 -2.239 3.854 1.00 33.22 C ATOM 1852 O ASP A 126 -7.699 -2.472 3.070 1.00 11.22 O ATOM 1853 CB ASP A 126 -9.593 -3.309 5.938 1.00 5.11 C ATOM 1854 CG ASP A 126 -10.880 -3.934 6.442 1.00 1.13 C ATOM 1855 OD1 ASP A 126 -11.933 -3.243 6.436 1.00 2.41 O ATOM 1856 OD2 ASP A 126 -10.885 -5.109 6.824 1.00 74.12 O ATOM 0 H ASP A 126 -8.018 -4.858 4.124 1.00 52.41 H new ATOM 0 HA ASP A 126 -10.477 -3.248 4.013 1.00 11.43 H new ATOM 0 HB2 ASP A 126 -8.743 -3.819 6.391 1.00 5.11 H new ATOM 0 HB3 ASP A 126 -9.548 -2.268 6.259 1.00 5.11 H new ATOM 1861 N GLU A 127 -8.941 -1.020 4.277 1.00 62.52 N ATOM 1862 CA GLU A 127 -8.354 0.159 3.674 1.00 62.21 C ATOM 1863 C GLU A 127 -7.349 0.856 4.556 1.00 4.21 C ATOM 1864 O GLU A 127 -7.598 1.146 5.733 1.00 62.05 O ATOM 1865 CB GLU A 127 -9.419 1.167 3.268 1.00 70.23 C ATOM 1866 CG GLU A 127 -10.347 0.708 2.175 1.00 65.25 C ATOM 1867 CD GLU A 127 -11.270 1.805 1.748 1.00 12.32 C ATOM 1868 OE1 GLU A 127 -10.849 2.685 0.993 1.00 44.40 O ATOM 1869 OE2 GLU A 127 -12.443 1.830 2.183 1.00 52.50 O ATOM 0 H GLU A 127 -9.593 -0.826 5.037 1.00 62.52 H new ATOM 0 HA GLU A 127 -7.829 -0.213 2.794 1.00 62.21 H new ATOM 0 HB2 GLU A 127 -10.013 1.419 4.146 1.00 70.23 H new ATOM 0 HB3 GLU A 127 -8.926 2.083 2.944 1.00 70.23 H new ATOM 0 HG2 GLU A 127 -9.764 0.367 1.320 1.00 65.25 H new ATOM 0 HG3 GLU A 127 -10.929 -0.145 2.524 1.00 65.25 H new ATOM 1876 N ILE A 128 -6.243 1.151 3.960 1.00 23.52 N ATOM 1877 CA ILE A 128 -5.188 1.893 4.552 1.00 72.04 C ATOM 1878 C ILE A 128 -5.105 3.198 3.772 1.00 75.44 C ATOM 1879 O ILE A 128 -4.934 3.195 2.559 1.00 54.41 O ATOM 1880 CB ILE A 128 -3.799 1.140 4.499 1.00 20.44 C ATOM 1881 CG1 ILE A 128 -3.787 -0.165 5.347 1.00 33.31 C ATOM 1882 CG2 ILE A 128 -2.659 2.054 4.951 1.00 54.25 C ATOM 1883 CD1 ILE A 128 -4.618 -1.319 4.813 1.00 2.33 C ATOM 0 H ILE A 128 -6.043 0.866 3.001 1.00 23.52 H new ATOM 0 HA ILE A 128 -5.397 2.049 5.610 1.00 72.04 H new ATOM 0 HB ILE A 128 -3.649 0.859 3.457 1.00 20.44 H new ATOM 0 HG12 ILE A 128 -2.755 -0.502 5.443 1.00 33.31 H new ATOM 0 HG13 ILE A 128 -4.139 0.075 6.350 1.00 33.31 H new ATOM 0 HG21 ILE A 128 -1.716 1.510 4.904 1.00 54.25 H new ATOM 0 HG22 ILE A 128 -2.609 2.924 4.296 1.00 54.25 H new ATOM 0 HG23 ILE A 128 -2.839 2.381 5.975 1.00 54.25 H new ATOM 0 HD11 ILE A 128 -4.532 -2.172 5.487 1.00 2.33 H new ATOM 0 HD12 ILE A 128 -5.662 -1.014 4.745 1.00 2.33 H new ATOM 0 HD13 ILE A 128 -4.257 -1.600 3.824 1.00 2.33 H new ATOM 1895 N GLN A 129 -5.283 4.280 4.437 1.00 50.42 N ATOM 1896 CA GLN A 129 -5.275 5.550 3.795 1.00 62.23 C ATOM 1897 C GLN A 129 -3.971 6.262 4.061 1.00 34.21 C ATOM 1898 O GLN A 129 -3.582 6.471 5.207 1.00 62.44 O ATOM 1899 CB GLN A 129 -6.471 6.389 4.239 1.00 53.42 C ATOM 1900 CG GLN A 129 -6.496 7.789 3.657 1.00 50.30 C ATOM 1901 CD GLN A 129 -7.704 8.573 4.081 1.00 64.51 C ATOM 1902 OE1 GLN A 129 -8.779 8.015 4.309 1.00 55.34 O ATOM 1903 NE2 GLN A 129 -7.539 9.855 4.233 1.00 44.33 N ATOM 0 H GLN A 129 -5.439 4.314 5.444 1.00 50.42 H new ATOM 0 HA GLN A 129 -5.363 5.399 2.719 1.00 62.23 H new ATOM 0 HB2 GLN A 129 -7.388 5.873 3.956 1.00 53.42 H new ATOM 0 HB3 GLN A 129 -6.468 6.459 5.327 1.00 53.42 H new ATOM 0 HG2 GLN A 129 -5.596 8.322 3.965 1.00 50.30 H new ATOM 0 HG3 GLN A 129 -6.473 7.726 2.569 1.00 50.30 H new ATOM 0 HE21 GLN A 129 -6.633 10.280 4.034 1.00 44.33 H new ATOM 0 HE22 GLN A 129 -8.315 10.435 4.551 1.00 44.33 H new ATOM 1912 N ILE A 130 -3.303 6.595 3.014 1.00 61.31 N ATOM 1913 CA ILE A 130 -2.068 7.312 3.088 1.00 20.25 C ATOM 1914 C ILE A 130 -2.291 8.763 2.729 1.00 53.10 C ATOM 1915 O ILE A 130 -2.442 9.121 1.564 1.00 60.02 O ATOM 1916 CB ILE A 130 -0.896 6.638 2.276 1.00 44.01 C ATOM 1917 CG1 ILE A 130 -1.383 5.833 1.029 1.00 3.41 C ATOM 1918 CG2 ILE A 130 -0.062 5.750 3.180 1.00 32.31 C ATOM 1919 CD1 ILE A 130 -1.954 6.651 -0.107 1.00 41.24 C ATOM 0 H ILE A 130 -3.600 6.376 2.063 1.00 61.31 H new ATOM 0 HA ILE A 130 -1.724 7.272 4.121 1.00 20.25 H new ATOM 0 HB ILE A 130 -0.283 7.455 1.897 1.00 44.01 H new ATOM 0 HG12 ILE A 130 -0.544 5.252 0.646 1.00 3.41 H new ATOM 0 HG13 ILE A 130 -2.141 5.121 1.355 1.00 3.41 H new ATOM 0 HG21 ILE A 130 0.741 5.294 2.601 1.00 32.31 H new ATOM 0 HG22 ILE A 130 0.365 6.349 3.985 1.00 32.31 H new ATOM 0 HG23 ILE A 130 -0.692 4.968 3.604 1.00 32.31 H new ATOM 0 HD11 ILE A 130 -2.258 5.987 -0.916 1.00 41.24 H new ATOM 0 HD12 ILE A 130 -2.819 7.212 0.247 1.00 41.24 H new ATOM 0 HD13 ILE A 130 -1.197 7.345 -0.472 1.00 41.24 H new ATOM 1931 N GLY A 131 -2.406 9.577 3.748 1.00 14.52 N ATOM 1932 CA GLY A 131 -2.699 10.952 3.543 1.00 50.41 C ATOM 1933 C GLY A 131 -4.172 11.126 3.267 1.00 10.42 C ATOM 1934 O GLY A 131 -5.003 11.006 4.178 1.00 21.52 O ATOM 0 H GLY A 131 -2.299 9.301 4.724 1.00 14.52 H new ATOM 0 HA2 GLY A 131 -2.414 11.529 4.423 1.00 50.41 H new ATOM 0 HA3 GLY A 131 -2.115 11.337 2.707 1.00 50.41 H new ATOM 1938 N LYS A 132 -4.505 11.399 2.039 1.00 74.34 N ATOM 1939 CA LYS A 132 -5.888 11.532 1.619 1.00 74.32 C ATOM 1940 C LYS A 132 -6.302 10.395 0.703 1.00 52.03 C ATOM 1941 O LYS A 132 -7.500 10.193 0.453 1.00 43.13 O ATOM 1942 CB LYS A 132 -6.114 12.862 0.888 1.00 32.23 C ATOM 1943 CG LYS A 132 -6.006 14.115 1.751 1.00 13.32 C ATOM 1944 CD LYS A 132 -7.108 14.202 2.818 1.00 43.32 C ATOM 1945 CE LYS A 132 -8.520 14.203 2.214 1.00 44.01 C ATOM 1946 NZ LYS A 132 -8.734 15.307 1.246 1.00 14.02 N ATOM 0 H LYS A 132 -3.828 11.538 1.289 1.00 74.34 H new ATOM 0 HA LYS A 132 -6.497 11.502 2.523 1.00 74.32 H new ATOM 0 HB2 LYS A 132 -5.390 12.938 0.077 1.00 32.23 H new ATOM 0 HB3 LYS A 132 -7.103 12.841 0.431 1.00 32.23 H new ATOM 0 HG2 LYS A 132 -5.032 14.131 2.240 1.00 13.32 H new ATOM 0 HG3 LYS A 132 -6.056 14.996 1.111 1.00 13.32 H new ATOM 0 HD2 LYS A 132 -7.011 13.360 3.504 1.00 43.32 H new ATOM 0 HD3 LYS A 132 -6.968 15.109 3.406 1.00 43.32 H new ATOM 0 HE2 LYS A 132 -8.697 13.250 1.715 1.00 44.01 H new ATOM 0 HE3 LYS A 132 -9.253 14.283 3.017 1.00 44.01 H new ATOM 0 HZ1 LYS A 132 -9.722 15.299 0.923 1.00 14.02 H new ATOM 0 HZ2 LYS A 132 -8.528 16.217 1.706 1.00 14.02 H new ATOM 0 HZ3 LYS A 132 -8.102 15.181 0.430 1.00 14.02 H new ATOM 1960 N PHE A 133 -5.343 9.647 0.225 1.00 24.13 N ATOM 1961 CA PHE A 133 -5.613 8.641 -0.779 1.00 55.11 C ATOM 1962 C PHE A 133 -5.770 7.252 -0.186 1.00 3.54 C ATOM 1963 O PHE A 133 -5.178 6.932 0.844 1.00 43.03 O ATOM 1964 CB PHE A 133 -4.582 8.736 -1.890 1.00 15.44 C ATOM 1965 CG PHE A 133 -4.613 10.109 -2.513 1.00 32.33 C ATOM 1966 CD1 PHE A 133 -5.657 10.479 -3.352 1.00 42.03 C ATOM 1967 CD2 PHE A 133 -3.638 11.042 -2.215 1.00 53.31 C ATOM 1968 CE1 PHE A 133 -5.716 11.751 -3.889 1.00 73.44 C ATOM 1969 CE2 PHE A 133 -3.694 12.317 -2.742 1.00 61.22 C ATOM 1970 CZ PHE A 133 -4.732 12.674 -3.580 1.00 15.21 C ATOM 0 H PHE A 133 -4.366 9.712 0.512 1.00 24.13 H new ATOM 0 HA PHE A 133 -6.585 8.841 -1.229 1.00 55.11 H new ATOM 0 HB2 PHE A 133 -3.588 8.532 -1.492 1.00 15.44 H new ATOM 0 HB3 PHE A 133 -4.783 7.980 -2.649 1.00 15.44 H new ATOM 0 HD1 PHE A 133 -6.432 9.764 -3.587 1.00 42.03 H new ATOM 0 HD2 PHE A 133 -2.822 10.770 -1.562 1.00 53.31 H new ATOM 0 HE1 PHE A 133 -6.527 12.024 -4.548 1.00 73.44 H new ATOM 0 HE2 PHE A 133 -2.925 13.036 -2.499 1.00 61.22 H new ATOM 0 HZ PHE A 133 -4.776 13.671 -3.993 1.00 15.21 H new ATOM 1980 N ARG A 134 -6.557 6.423 -0.847 1.00 54.13 N ATOM 1981 CA ARG A 134 -6.991 5.166 -0.263 1.00 1.31 C ATOM 1982 C ARG A 134 -6.401 3.958 -0.973 1.00 24.03 C ATOM 1983 O ARG A 134 -6.466 3.823 -2.216 1.00 53.01 O ATOM 1984 CB ARG A 134 -8.525 5.119 -0.218 1.00 72.11 C ATOM 1985 CG ARG A 134 -9.111 6.298 0.559 1.00 11.41 C ATOM 1986 CD ARG A 134 -10.626 6.372 0.501 1.00 21.21 C ATOM 1987 NE ARG A 134 -11.305 5.298 1.244 1.00 21.43 N ATOM 1988 CZ ARG A 134 -12.325 5.492 2.098 1.00 52.41 C ATOM 1989 NH1 ARG A 134 -12.785 6.722 2.327 1.00 62.54 N ATOM 1990 NH2 ARG A 134 -12.903 4.458 2.697 1.00 50.12 N ATOM 0 H ARG A 134 -6.909 6.597 -1.788 1.00 54.13 H new ATOM 0 HA ARG A 134 -6.612 5.117 0.758 1.00 1.31 H new ATOM 0 HB2 ARG A 134 -8.918 5.124 -1.235 1.00 72.11 H new ATOM 0 HB3 ARG A 134 -8.846 4.185 0.244 1.00 72.11 H new ATOM 0 HG2 ARG A 134 -8.799 6.227 1.601 1.00 11.41 H new ATOM 0 HG3 ARG A 134 -8.695 7.225 0.164 1.00 11.41 H new ATOM 0 HD2 ARG A 134 -10.948 7.335 0.898 1.00 21.21 H new ATOM 0 HD3 ARG A 134 -10.942 6.335 -0.542 1.00 21.21 H new ATOM 0 HE ARG A 134 -10.980 4.342 1.101 1.00 21.43 H new ATOM 0 HH11 ARG A 134 -12.363 7.521 1.853 1.00 62.54 H new ATOM 0 HH12 ARG A 134 -13.559 6.864 2.976 1.00 62.54 H new ATOM 0 HH21 ARG A 134 -12.574 3.511 2.510 1.00 50.12 H new ATOM 0 HH22 ARG A 134 -13.677 4.611 3.344 1.00 50.12 H new ATOM 2004 N LEU A 135 -5.820 3.104 -0.176 1.00 62.54 N ATOM 2005 CA LEU A 135 -5.157 1.905 -0.596 1.00 62.54 C ATOM 2006 C LEU A 135 -5.849 0.727 0.087 1.00 70.33 C ATOM 2007 O LEU A 135 -6.182 0.807 1.256 1.00 24.40 O ATOM 2008 CB LEU A 135 -3.664 2.044 -0.161 1.00 3.40 C ATOM 2009 CG LEU A 135 -2.650 0.903 -0.419 1.00 32.12 C ATOM 2010 CD1 LEU A 135 -1.254 1.449 -0.196 1.00 20.23 C ATOM 2011 CD2 LEU A 135 -2.852 -0.271 0.542 1.00 14.25 C ATOM 0 H LEU A 135 -5.796 3.234 0.835 1.00 62.54 H new ATOM 0 HA LEU A 135 -5.200 1.742 -1.673 1.00 62.54 H new ATOM 0 HB2 LEU A 135 -3.271 2.937 -0.648 1.00 3.40 H new ATOM 0 HB3 LEU A 135 -3.660 2.238 0.912 1.00 3.40 H new ATOM 0 HG LEU A 135 -2.795 0.545 -1.438 1.00 32.12 H new ATOM 0 HD11 LEU A 135 -0.522 0.661 -0.373 1.00 20.23 H new ATOM 0 HD12 LEU A 135 -1.072 2.274 -0.885 1.00 20.23 H new ATOM 0 HD13 LEU A 135 -1.162 1.806 0.830 1.00 20.23 H new ATOM 0 HD21 LEU A 135 -2.120 -1.049 0.325 1.00 14.25 H new ATOM 0 HD22 LEU A 135 -2.724 0.073 1.568 1.00 14.25 H new ATOM 0 HD23 LEU A 135 -3.857 -0.674 0.418 1.00 14.25 H new ATOM 2023 N VAL A 136 -6.094 -0.323 -0.636 1.00 44.03 N ATOM 2024 CA VAL A 136 -6.685 -1.512 -0.067 1.00 51.13 C ATOM 2025 C VAL A 136 -5.601 -2.573 -0.033 1.00 15.40 C ATOM 2026 O VAL A 136 -4.928 -2.810 -1.048 1.00 24.33 O ATOM 2027 CB VAL A 136 -7.894 -2.030 -0.905 1.00 61.02 C ATOM 2028 CG1 VAL A 136 -8.607 -3.168 -0.182 1.00 54.31 C ATOM 2029 CG2 VAL A 136 -8.876 -0.910 -1.204 1.00 0.12 C ATOM 0 H VAL A 136 -5.894 -0.387 -1.634 1.00 44.03 H new ATOM 0 HA VAL A 136 -7.067 -1.284 0.928 1.00 51.13 H new ATOM 0 HB VAL A 136 -7.501 -2.405 -1.850 1.00 61.02 H new ATOM 0 HG11 VAL A 136 -9.447 -3.513 -0.785 1.00 54.31 H new ATOM 0 HG12 VAL A 136 -7.911 -3.992 -0.024 1.00 54.31 H new ATOM 0 HG13 VAL A 136 -8.974 -2.814 0.781 1.00 54.31 H new ATOM 0 HG21 VAL A 136 -9.708 -1.302 -1.789 1.00 0.12 H new ATOM 0 HG22 VAL A 136 -9.253 -0.498 -0.268 1.00 0.12 H new ATOM 0 HG23 VAL A 136 -8.372 -0.126 -1.769 1.00 0.12 H new ATOM 2039 N PHE A 137 -5.395 -3.170 1.106 1.00 15.22 N ATOM 2040 CA PHE A 137 -4.351 -4.163 1.262 1.00 3.12 C ATOM 2041 C PHE A 137 -4.981 -5.541 1.328 1.00 53.40 C ATOM 2042 O PHE A 137 -5.845 -5.791 2.170 1.00 35.42 O ATOM 2043 CB PHE A 137 -3.552 -3.857 2.534 1.00 2.44 C ATOM 2044 CG PHE A 137 -2.382 -4.760 2.801 1.00 14.44 C ATOM 2045 CD1 PHE A 137 -1.189 -4.586 2.118 1.00 12.23 C ATOM 2046 CD2 PHE A 137 -2.465 -5.759 3.756 1.00 1.03 C ATOM 2047 CE1 PHE A 137 -0.103 -5.393 2.382 1.00 34.24 C ATOM 2048 CE2 PHE A 137 -1.383 -6.571 4.021 1.00 30.34 C ATOM 2049 CZ PHE A 137 -0.202 -6.385 3.334 1.00 2.43 C ATOM 0 H PHE A 137 -5.937 -2.990 1.951 1.00 15.22 H new ATOM 0 HA PHE A 137 -3.669 -4.137 0.412 1.00 3.12 H new ATOM 0 HB2 PHE A 137 -3.189 -2.831 2.475 1.00 2.44 H new ATOM 0 HB3 PHE A 137 -4.229 -3.908 3.387 1.00 2.44 H new ATOM 0 HD1 PHE A 137 -1.109 -3.810 1.371 1.00 12.23 H new ATOM 0 HD2 PHE A 137 -3.387 -5.904 4.299 1.00 1.03 H new ATOM 0 HE1 PHE A 137 0.823 -5.248 1.845 1.00 34.24 H new ATOM 0 HE2 PHE A 137 -1.460 -7.351 4.764 1.00 30.34 H new ATOM 0 HZ PHE A 137 0.648 -7.018 3.542 1.00 2.43 H new ATOM 2059 N LEU A 138 -4.582 -6.423 0.439 1.00 50.34 N ATOM 2060 CA LEU A 138 -5.159 -7.755 0.400 1.00 43.23 C ATOM 2061 C LEU A 138 -4.063 -8.786 0.360 1.00 23.40 C ATOM 2062 O LEU A 138 -2.924 -8.478 -0.017 1.00 64.33 O ATOM 2063 CB LEU A 138 -6.073 -7.990 -0.836 1.00 33.42 C ATOM 2064 CG LEU A 138 -7.243 -7.025 -1.093 1.00 42.42 C ATOM 2065 CD1 LEU A 138 -6.767 -5.743 -1.756 1.00 32.32 C ATOM 2066 CD2 LEU A 138 -8.313 -7.698 -1.939 1.00 43.52 C ATOM 0 H LEU A 138 -3.865 -6.247 -0.264 1.00 50.34 H new ATOM 0 HA LEU A 138 -5.768 -7.847 1.299 1.00 43.23 H new ATOM 0 HB2 LEU A 138 -5.438 -7.980 -1.722 1.00 33.42 H new ATOM 0 HB3 LEU A 138 -6.487 -8.995 -0.752 1.00 33.42 H new ATOM 0 HG LEU A 138 -7.676 -6.761 -0.128 1.00 42.42 H new ATOM 0 HD11 LEU A 138 -7.618 -5.083 -1.924 1.00 32.32 H new ATOM 0 HD12 LEU A 138 -6.044 -5.246 -1.110 1.00 32.32 H new ATOM 0 HD13 LEU A 138 -6.297 -5.980 -2.711 1.00 32.32 H new ATOM 0 HD21 LEU A 138 -9.133 -7.001 -2.111 1.00 43.52 H new ATOM 0 HD22 LEU A 138 -7.885 -7.998 -2.896 1.00 43.52 H new ATOM 0 HD23 LEU A 138 -8.689 -8.578 -1.418 1.00 43.52 H new ATOM 2078 N ALA A 139 -4.396 -9.994 0.745 1.00 11.02 N ATOM 2079 CA ALA A 139 -3.489 -11.109 0.637 1.00 0.22 C ATOM 2080 C ALA A 139 -3.518 -11.571 -0.808 1.00 63.22 C ATOM 2081 O ALA A 139 -4.604 -11.723 -1.391 1.00 62.15 O ATOM 2082 CB ALA A 139 -3.909 -12.232 1.573 1.00 32.34 C ATOM 0 H ALA A 139 -5.305 -10.231 1.142 1.00 11.02 H new ATOM 0 HA ALA A 139 -2.479 -10.815 0.923 1.00 0.22 H new ATOM 0 HB1 ALA A 139 -3.212 -13.065 1.477 1.00 32.34 H new ATOM 0 HB2 ALA A 139 -3.903 -11.870 2.601 1.00 32.34 H new ATOM 0 HB3 ALA A 139 -4.913 -12.567 1.312 1.00 32.34 H new ATOM 2088 N GLY A 140 -2.370 -11.785 -1.383 1.00 14.21 N ATOM 2089 CA GLY A 140 -2.302 -12.087 -2.784 1.00 2.22 C ATOM 2090 C GLY A 140 -2.337 -13.563 -3.089 1.00 65.21 C ATOM 2091 O GLY A 140 -2.748 -14.370 -2.245 1.00 31.21 O ATOM 0 H GLY A 140 -1.469 -11.756 -0.905 1.00 14.21 H new ATOM 0 HA2 GLY A 140 -3.134 -11.600 -3.292 1.00 2.22 H new ATOM 0 HA3 GLY A 140 -1.386 -11.662 -3.194 1.00 2.22 H new ATOM 2095 N PRO A 141 -1.895 -13.945 -4.285 1.00 55.10 N ATOM 2096 CA PRO A 141 -1.955 -15.320 -4.748 1.00 14.45 C ATOM 2097 C PRO A 141 -0.816 -16.201 -4.228 1.00 4.51 C ATOM 2098 O PRO A 141 0.244 -15.711 -3.807 1.00 61.33 O ATOM 2099 CB PRO A 141 -1.852 -15.167 -6.263 1.00 24.25 C ATOM 2100 CG PRO A 141 -1.002 -13.963 -6.461 1.00 50.22 C ATOM 2101 CD PRO A 141 -1.287 -13.050 -5.300 1.00 1.21 C ATOM 0 HA PRO A 141 -2.857 -15.819 -4.394 1.00 14.45 H new ATOM 0 HB2 PRO A 141 -1.404 -16.049 -6.721 1.00 24.25 H new ATOM 0 HB3 PRO A 141 -2.835 -15.037 -6.716 1.00 24.25 H new ATOM 0 HG2 PRO A 141 0.053 -14.233 -6.493 1.00 50.22 H new ATOM 0 HG3 PRO A 141 -1.235 -13.474 -7.407 1.00 50.22 H new ATOM 0 HD2 PRO A 141 -0.376 -12.582 -4.926 1.00 1.21 H new ATOM 0 HD3 PRO A 141 -1.966 -12.245 -5.582 1.00 1.21 H new