USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 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 30 ASN : amide:sc= 0.375 K(o=0.8,f=-0.65) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 158:sc= 0.423 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 173:sc= 0.459 USER MOD Single : A 20 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.32) USER MOD Single : A 22 MET CE :methyl -138:sc= -0.0677 (180deg=-0.85) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0181 (180deg=-0.177) USER MOD Single : A 31 SER OG : rot 137:sc= 0.104 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0.655 (180deg=0.565) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 0.747 (180deg=0.414) USER MOD Single : A 47 SER OG : rot -71:sc= 0.715 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc=-0.000999 (180deg=-0.0599) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00063 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.695 4.335 -0.339 1.00 74.52 N ATOM 21 CA ARG A 2 -11.526 3.443 -0.295 1.00 14.12 C ATOM 22 C ARG A 2 -10.625 3.754 -1.500 1.00 3.12 C ATOM 23 O ARG A 2 -11.114 3.884 -2.631 1.00 61.41 O ATOM 24 CB ARG A 2 -11.974 1.954 -0.319 1.00 42.42 C ATOM 25 CG ARG A 2 -12.968 1.562 0.805 1.00 1.53 C ATOM 26 CD ARG A 2 -13.460 0.107 0.681 1.00 73.00 C ATOM 27 NE ARG A 2 -14.108 -0.142 -0.626 1.00 31.41 N ATOM 28 CZ ARG A 2 -13.876 -1.205 -1.420 1.00 22.40 C ATOM 29 NH1 ARG A 2 -13.008 -2.150 -1.064 1.00 21.34 N ATOM 30 NH2 ARG A 2 -14.518 -1.316 -2.573 1.00 53.50 N ATOM 0 HA ARG A 2 -10.973 3.609 0.630 1.00 14.12 H new ATOM 0 HB2 ARG A 2 -12.435 1.742 -1.284 1.00 42.42 H new ATOM 0 HB3 ARG A 2 -11.090 1.321 -0.242 1.00 42.42 H new ATOM 0 HG2 ARG A 2 -12.487 1.698 1.774 1.00 1.53 H new ATOM 0 HG3 ARG A 2 -13.825 2.235 0.778 1.00 1.53 H new ATOM 0 HD2 ARG A 2 -12.618 -0.574 0.805 1.00 73.00 H new ATOM 0 HD3 ARG A 2 -14.165 -0.108 1.484 1.00 73.00 H new ATOM 0 HE ARG A 2 -14.785 0.547 -0.952 1.00 31.41 H new ATOM 0 HH11 ARG A 2 -12.507 -2.075 -0.178 1.00 21.34 H new ATOM 0 HH12 ARG A 2 -12.844 -2.949 -1.677 1.00 21.34 H new ATOM 0 HH21 ARG A 2 -15.185 -0.598 -2.857 1.00 53.50 H new ATOM 0 HH22 ARG A 2 -14.345 -2.119 -3.178 1.00 53.50 H new ATOM 44 N ILE A 3 -9.318 3.858 -1.256 1.00 15.42 N ATOM 45 CA ILE A 3 -8.331 4.252 -2.268 1.00 43.02 C ATOM 46 C ILE A 3 -7.709 2.987 -2.882 1.00 63.25 C ATOM 47 O ILE A 3 -7.183 2.133 -2.164 1.00 62.21 O ATOM 48 CB ILE A 3 -7.226 5.161 -1.606 1.00 22.25 C ATOM 49 CG1 ILE A 3 -7.913 6.401 -0.942 1.00 61.32 C ATOM 50 CG2 ILE A 3 -6.131 5.584 -2.624 1.00 43.41 C ATOM 51 CD1 ILE A 3 -6.986 7.326 -0.186 1.00 44.14 C ATOM 0 H ILE A 3 -8.908 3.670 -0.341 1.00 15.42 H new ATOM 0 HA ILE A 3 -8.813 4.826 -3.059 1.00 43.02 H new ATOM 0 HB ILE A 3 -6.712 4.585 -0.837 1.00 22.25 H new ATOM 0 HG12 ILE A 3 -8.418 6.975 -1.719 1.00 61.32 H new ATOM 0 HG13 ILE A 3 -8.683 6.046 -0.257 1.00 61.32 H new ATOM 0 HG21 ILE A 3 -5.391 6.209 -2.124 1.00 43.41 H new ATOM 0 HG22 ILE A 3 -5.644 4.695 -3.025 1.00 43.41 H new ATOM 0 HG23 ILE A 3 -6.589 6.145 -3.439 1.00 43.41 H new ATOM 0 HD11 ILE A 3 -7.560 8.152 0.235 1.00 44.14 H new ATOM 0 HD12 ILE A 3 -6.499 6.775 0.619 1.00 44.14 H new ATOM 0 HD13 ILE A 3 -6.230 7.719 -0.866 1.00 44.14 H new ATOM 63 N LYS A 4 -7.780 2.874 -4.214 1.00 22.42 N ATOM 64 CA LYS A 4 -7.304 1.690 -4.943 1.00 32.50 C ATOM 65 C LYS A 4 -5.818 1.876 -5.279 1.00 3.22 C ATOM 66 O LYS A 4 -5.425 2.916 -5.827 1.00 73.50 O ATOM 67 CB LYS A 4 -8.148 1.500 -6.229 1.00 31.20 C ATOM 68 CG LYS A 4 -7.846 0.215 -7.029 1.00 75.25 C ATOM 69 CD LYS A 4 -8.759 0.086 -8.275 1.00 45.14 C ATOM 70 CE LYS A 4 -8.590 -1.247 -9.008 1.00 10.32 C ATOM 71 NZ LYS A 4 -9.522 -1.378 -10.157 1.00 3.01 N ATOM 0 H LYS A 4 -8.168 3.599 -4.817 1.00 22.42 H new ATOM 0 HA LYS A 4 -7.415 0.796 -4.329 1.00 32.50 H new ATOM 0 HB2 LYS A 4 -9.203 1.499 -5.955 1.00 31.20 H new ATOM 0 HB3 LYS A 4 -7.988 2.360 -6.880 1.00 31.20 H new ATOM 0 HG2 LYS A 4 -6.802 0.218 -7.342 1.00 75.25 H new ATOM 0 HG3 LYS A 4 -7.983 -0.654 -6.386 1.00 75.25 H new ATOM 0 HD2 LYS A 4 -9.799 0.196 -7.969 1.00 45.14 H new ATOM 0 HD3 LYS A 4 -8.541 0.903 -8.964 1.00 45.14 H new ATOM 0 HE2 LYS A 4 -7.563 -1.337 -9.363 1.00 10.32 H new ATOM 0 HE3 LYS A 4 -8.759 -2.067 -8.310 1.00 10.32 H new ATOM 0 HZ1 LYS A 4 -9.372 -2.296 -10.623 1.00 3.01 H new ATOM 0 HZ2 LYS A 4 -10.503 -1.319 -9.817 1.00 3.01 H new ATOM 0 HZ3 LYS A 4 -9.345 -0.611 -10.837 1.00 3.01 H new ATOM 85 N GLY A 5 -4.997 0.882 -4.916 1.00 31.33 N ATOM 86 CA GLY A 5 -3.556 0.928 -5.136 1.00 1.43 C ATOM 87 C GLY A 5 -3.029 -0.347 -5.772 1.00 61.32 C ATOM 88 O GLY A 5 -3.812 -1.189 -6.212 1.00 42.50 O ATOM 0 H GLY A 5 -5.318 0.027 -4.462 1.00 31.33 H new ATOM 0 HA2 GLY A 5 -3.315 1.777 -5.776 1.00 1.43 H new ATOM 0 HA3 GLY A 5 -3.050 1.093 -4.184 1.00 1.43 H new ATOM 92 N VAL A 6 -1.691 -0.483 -5.798 1.00 50.42 N ATOM 93 CA VAL A 6 -0.962 -1.618 -6.417 1.00 50.23 C ATOM 94 C VAL A 6 0.293 -1.949 -5.580 1.00 33.22 C ATOM 95 O VAL A 6 1.015 -1.044 -5.164 1.00 24.53 O ATOM 96 CB VAL A 6 -0.556 -1.274 -7.917 1.00 23.33 C ATOM 97 CG1 VAL A 6 0.585 -2.170 -8.459 1.00 61.14 C ATOM 98 CG2 VAL A 6 -1.783 -1.350 -8.854 1.00 31.55 C ATOM 0 H VAL A 6 -1.066 0.207 -5.381 1.00 50.42 H new ATOM 0 HA VAL A 6 -1.617 -2.489 -6.436 1.00 50.23 H new ATOM 0 HB VAL A 6 -0.178 -0.252 -7.900 1.00 23.33 H new ATOM 0 HG11 VAL A 6 0.815 -1.885 -9.486 1.00 61.14 H new ATOM 0 HG12 VAL A 6 1.473 -2.043 -7.840 1.00 61.14 H new ATOM 0 HG13 VAL A 6 0.271 -3.214 -8.434 1.00 61.14 H new ATOM 0 HG21 VAL A 6 -1.478 -1.111 -9.873 1.00 31.55 H new ATOM 0 HG22 VAL A 6 -2.200 -2.357 -8.827 1.00 31.55 H new ATOM 0 HG23 VAL A 6 -2.538 -0.636 -8.524 1.00 31.55 H new ATOM 108 N VAL A 7 0.529 -3.252 -5.335 1.00 55.11 N ATOM 109 CA VAL A 7 1.752 -3.756 -4.691 1.00 61.32 C ATOM 110 C VAL A 7 2.933 -3.652 -5.672 1.00 40.24 C ATOM 111 O VAL A 7 2.924 -4.295 -6.731 1.00 3.21 O ATOM 112 CB VAL A 7 1.605 -5.255 -4.226 1.00 71.42 C ATOM 113 CG1 VAL A 7 2.879 -5.742 -3.491 1.00 24.12 C ATOM 114 CG2 VAL A 7 0.348 -5.446 -3.354 1.00 12.40 C ATOM 0 H VAL A 7 -0.131 -3.989 -5.582 1.00 55.11 H new ATOM 0 HA VAL A 7 1.930 -3.143 -3.807 1.00 61.32 H new ATOM 0 HB VAL A 7 1.485 -5.869 -5.118 1.00 71.42 H new ATOM 0 HG11 VAL A 7 2.747 -6.779 -3.183 1.00 24.12 H new ATOM 0 HG12 VAL A 7 3.736 -5.669 -4.161 1.00 24.12 H new ATOM 0 HG13 VAL A 7 3.052 -5.121 -2.612 1.00 24.12 H new ATOM 0 HG21 VAL A 7 0.273 -6.489 -3.048 1.00 12.40 H new ATOM 0 HG22 VAL A 7 0.419 -4.813 -2.470 1.00 12.40 H new ATOM 0 HG23 VAL A 7 -0.538 -5.171 -3.927 1.00 12.40 H new ATOM 124 N LEU A 8 3.915 -2.819 -5.326 1.00 1.22 N ATOM 125 CA LEU A 8 5.142 -2.661 -6.118 1.00 10.14 C ATOM 126 C LEU A 8 6.216 -3.661 -5.655 1.00 32.11 C ATOM 127 O LEU A 8 6.818 -4.340 -6.486 1.00 13.31 O ATOM 128 CB LEU A 8 5.661 -1.204 -6.040 1.00 64.11 C ATOM 129 CG LEU A 8 4.693 -0.111 -6.595 1.00 0.52 C ATOM 130 CD1 LEU A 8 5.321 1.289 -6.499 1.00 34.35 C ATOM 131 CD2 LEU A 8 4.240 -0.424 -8.044 1.00 74.42 C ATOM 0 H LEU A 8 3.885 -2.234 -4.491 1.00 1.22 H new ATOM 0 HA LEU A 8 4.910 -2.876 -7.161 1.00 10.14 H new ATOM 0 HB2 LEU A 8 5.883 -0.972 -4.998 1.00 64.11 H new ATOM 0 HB3 LEU A 8 6.601 -1.143 -6.588 1.00 64.11 H new ATOM 0 HG LEU A 8 3.801 -0.122 -5.968 1.00 0.52 H new ATOM 0 HD11 LEU A 8 4.624 2.028 -6.893 1.00 34.35 H new ATOM 0 HD12 LEU A 8 5.542 1.518 -5.456 1.00 34.35 H new ATOM 0 HD13 LEU A 8 6.243 1.315 -7.080 1.00 34.35 H new ATOM 0 HD21 LEU A 8 3.568 0.360 -8.393 1.00 74.42 H new ATOM 0 HD22 LEU A 8 5.112 -0.471 -8.696 1.00 74.42 H new ATOM 0 HD23 LEU A 8 3.721 -1.382 -8.064 1.00 74.42 H new ATOM 143 N SER A 9 6.438 -3.752 -4.323 1.00 14.43 N ATOM 144 CA SER A 9 7.462 -4.659 -3.733 1.00 0.34 C ATOM 145 C SER A 9 7.075 -5.097 -2.302 1.00 3.41 C ATOM 146 O SER A 9 6.335 -4.394 -1.607 1.00 4.53 O ATOM 147 CB SER A 9 8.853 -3.969 -3.702 1.00 3.32 C ATOM 148 OG SER A 9 9.278 -3.570 -4.994 1.00 33.41 O ATOM 0 H SER A 9 5.922 -3.208 -3.631 1.00 14.43 H new ATOM 0 HA SER A 9 7.510 -5.545 -4.366 1.00 0.34 H new ATOM 0 HB2 SER A 9 8.810 -3.097 -3.049 1.00 3.32 H new ATOM 0 HB3 SER A 9 9.587 -4.652 -3.274 1.00 3.32 H new ATOM 0 HG SER A 9 10.156 -3.139 -4.931 1.00 33.41 H new ATOM 154 N TYR A 10 7.604 -6.275 -1.889 1.00 70.51 N ATOM 155 CA TYR A 10 7.522 -6.789 -0.501 1.00 24.44 C ATOM 156 C TYR A 10 8.932 -6.743 0.128 1.00 64.11 C ATOM 157 O TYR A 10 9.916 -7.090 -0.540 1.00 62.41 O ATOM 158 CB TYR A 10 7.029 -8.271 -0.460 1.00 33.45 C ATOM 159 CG TYR A 10 5.792 -8.601 -1.308 1.00 12.53 C ATOM 160 CD1 TYR A 10 5.921 -8.937 -2.659 1.00 25.51 C ATOM 161 CD2 TYR A 10 4.507 -8.605 -0.762 1.00 21.42 C ATOM 162 CE1 TYR A 10 4.824 -9.262 -3.427 1.00 10.24 C ATOM 163 CE2 TYR A 10 3.406 -8.929 -1.534 1.00 10.43 C ATOM 164 CZ TYR A 10 3.574 -9.256 -2.866 1.00 53.14 C ATOM 165 OH TYR A 10 2.489 -9.571 -3.648 1.00 43.34 O ATOM 0 H TYR A 10 8.105 -6.902 -2.519 1.00 70.51 H new ATOM 0 HA TYR A 10 6.813 -6.167 0.045 1.00 24.44 H new ATOM 0 HB2 TYR A 10 7.848 -8.913 -0.785 1.00 33.45 H new ATOM 0 HB3 TYR A 10 6.813 -8.531 0.576 1.00 33.45 H new ATOM 0 HD1 TYR A 10 6.902 -8.942 -3.111 1.00 25.51 H new ATOM 0 HD2 TYR A 10 4.371 -8.351 0.279 1.00 21.42 H new ATOM 0 HE1 TYR A 10 4.949 -9.521 -4.468 1.00 10.24 H new ATOM 0 HE2 TYR A 10 2.418 -8.926 -1.097 1.00 10.43 H new ATOM 0 HH TYR A 10 1.689 -9.637 -3.086 1.00 43.34 H new ATOM 175 N ARG A 11 9.029 -6.317 1.395 1.00 31.34 N ATOM 176 CA ARG A 11 10.283 -6.358 2.182 1.00 43.34 C ATOM 177 C ARG A 11 9.983 -7.087 3.502 1.00 44.02 C ATOM 178 O ARG A 11 9.298 -6.540 4.362 1.00 12.51 O ATOM 179 CB ARG A 11 10.806 -4.915 2.451 1.00 43.23 C ATOM 180 CG ARG A 11 11.092 -4.071 1.180 1.00 3.13 C ATOM 181 CD ARG A 11 11.432 -2.603 1.508 1.00 72.30 C ATOM 182 NE ARG A 11 11.788 -1.815 0.311 1.00 61.44 N ATOM 183 CZ ARG A 11 12.455 -0.645 0.324 1.00 33.43 C ATOM 184 NH1 ARG A 11 12.859 -0.087 1.466 1.00 35.22 N ATOM 185 NH2 ARG A 11 12.722 -0.034 -0.817 1.00 23.42 N ATOM 0 H ARG A 11 8.239 -5.931 1.911 1.00 31.34 H new ATOM 0 HA ARG A 11 11.061 -6.886 1.631 1.00 43.34 H new ATOM 0 HB2 ARG A 11 10.073 -4.387 3.061 1.00 43.23 H new ATOM 0 HB3 ARG A 11 11.722 -4.981 3.038 1.00 43.23 H new ATOM 0 HG2 ARG A 11 11.920 -4.518 0.630 1.00 3.13 H new ATOM 0 HG3 ARG A 11 10.221 -4.101 0.525 1.00 3.13 H new ATOM 0 HD2 ARG A 11 10.578 -2.139 2.002 1.00 72.30 H new ATOM 0 HD3 ARG A 11 12.262 -2.576 2.214 1.00 72.30 H new ATOM 0 HE ARG A 11 11.507 -2.186 -0.597 1.00 61.44 H new ATOM 0 HH11 ARG A 11 12.664 -0.547 2.355 1.00 35.22 H new ATOM 0 HH12 ARG A 11 13.363 0.800 1.450 1.00 35.22 H new ATOM 0 HH21 ARG A 11 12.423 -0.449 -1.700 1.00 23.42 H new ATOM 0 HH22 ARG A 11 13.227 0.852 -0.815 1.00 23.42 H new ATOM 334 N ASN A 20 6.766 -6.478 7.822 1.00 55.14 N ATOM 335 CA ASN A 20 6.823 -6.491 6.350 1.00 55.44 C ATOM 336 C ASN A 20 6.528 -5.090 5.792 1.00 40.53 C ATOM 337 O ASN A 20 5.416 -4.582 5.927 1.00 44.35 O ATOM 338 CB ASN A 20 5.837 -7.520 5.749 1.00 74.52 C ATOM 339 CG ASN A 20 5.873 -7.572 4.204 1.00 35.41 C ATOM 340 OD1 ASN A 20 5.119 -6.877 3.515 1.00 62.54 O ATOM 341 ND2 ASN A 20 6.747 -8.402 3.650 1.00 41.23 N ATOM 0 HA ASN A 20 7.832 -6.788 6.062 1.00 55.44 H new ATOM 0 HB2 ASN A 20 6.069 -8.509 6.144 1.00 74.52 H new ATOM 0 HB3 ASN A 20 4.826 -7.276 6.074 1.00 74.52 H new ATOM 0 HD21 ASN A 20 6.807 -8.476 2.634 1.00 41.23 H new ATOM 0 HD22 ASN A 20 7.359 -8.966 4.240 1.00 41.23 H new ATOM 348 N VAL A 21 7.547 -4.471 5.195 1.00 62.44 N ATOM 349 CA VAL A 21 7.436 -3.161 4.562 1.00 21.20 C ATOM 350 C VAL A 21 7.056 -3.350 3.078 1.00 45.33 C ATOM 351 O VAL A 21 7.876 -3.781 2.267 1.00 41.34 O ATOM 352 CB VAL A 21 8.793 -2.375 4.699 1.00 41.34 C ATOM 353 CG1 VAL A 21 8.719 -1.014 3.983 1.00 2.42 C ATOM 354 CG2 VAL A 21 9.187 -2.206 6.192 1.00 11.15 C ATOM 0 H VAL A 21 8.483 -4.872 5.138 1.00 62.44 H new ATOM 0 HA VAL A 21 6.660 -2.577 5.056 1.00 21.20 H new ATOM 0 HB VAL A 21 9.573 -2.961 4.213 1.00 41.34 H new ATOM 0 HG11 VAL A 21 9.670 -0.492 4.094 1.00 2.42 H new ATOM 0 HG12 VAL A 21 8.512 -1.171 2.924 1.00 2.42 H new ATOM 0 HG13 VAL A 21 7.923 -0.414 4.423 1.00 2.42 H new ATOM 0 HG21 VAL A 21 10.128 -1.660 6.260 1.00 11.15 H new ATOM 0 HG22 VAL A 21 8.407 -1.652 6.714 1.00 11.15 H new ATOM 0 HG23 VAL A 21 9.303 -3.188 6.651 1.00 11.15 H new ATOM 364 N MET A 22 5.797 -3.054 2.739 1.00 1.13 N ATOM 365 CA MET A 22 5.303 -3.124 1.355 1.00 12.41 C ATOM 366 C MET A 22 5.269 -1.712 0.757 1.00 34.41 C ATOM 367 O MET A 22 4.677 -0.796 1.346 1.00 5.45 O ATOM 368 CB MET A 22 3.891 -3.766 1.312 1.00 25.15 C ATOM 369 CG MET A 22 3.292 -3.923 -0.097 1.00 42.43 C ATOM 370 SD MET A 22 1.624 -4.624 -0.093 1.00 54.31 S ATOM 371 CE MET A 22 1.877 -6.236 0.657 1.00 74.42 C ATOM 0 H MET A 22 5.091 -2.759 3.413 1.00 1.13 H new ATOM 0 HA MET A 22 5.975 -3.748 0.766 1.00 12.41 H new ATOM 0 HB2 MET A 22 3.940 -4.749 1.781 1.00 25.15 H new ATOM 0 HB3 MET A 22 3.214 -3.159 1.913 1.00 25.15 H new ATOM 0 HG2 MET A 22 3.268 -2.948 -0.584 1.00 42.43 H new ATOM 0 HG3 MET A 22 3.945 -4.561 -0.693 1.00 42.43 H new ATOM 0 HE1 MET A 22 1.295 -6.984 0.118 1.00 74.42 H new ATOM 0 HE2 MET A 22 2.934 -6.497 0.611 1.00 74.42 H new ATOM 0 HE3 MET A 22 1.555 -6.208 1.698 1.00 74.42 H new ATOM 381 N ILE A 23 5.944 -1.534 -0.391 1.00 42.30 N ATOM 382 CA ILE A 23 5.875 -0.291 -1.175 1.00 3.11 C ATOM 383 C ILE A 23 4.595 -0.347 -2.036 1.00 52.44 C ATOM 384 O ILE A 23 4.456 -1.236 -2.884 1.00 72.45 O ATOM 385 CB ILE A 23 7.147 -0.104 -2.092 1.00 42.22 C ATOM 386 CG1 ILE A 23 8.477 -0.196 -1.258 1.00 42.50 C ATOM 387 CG2 ILE A 23 7.079 1.232 -2.890 1.00 61.14 C ATOM 388 CD1 ILE A 23 8.667 0.887 -0.204 1.00 34.45 C ATOM 0 H ILE A 23 6.550 -2.245 -0.800 1.00 42.30 H new ATOM 0 HA ILE A 23 5.849 0.562 -0.497 1.00 3.11 H new ATOM 0 HB ILE A 23 7.151 -0.922 -2.812 1.00 42.22 H new ATOM 0 HG12 ILE A 23 8.510 -1.168 -0.765 1.00 42.50 H new ATOM 0 HG13 ILE A 23 9.321 -0.160 -1.947 1.00 42.50 H new ATOM 0 HG21 ILE A 23 7.969 1.330 -3.511 1.00 61.14 H new ATOM 0 HG22 ILE A 23 6.192 1.232 -3.524 1.00 61.14 H new ATOM 0 HG23 ILE A 23 7.028 2.069 -2.194 1.00 61.14 H new ATOM 0 HD11 ILE A 23 9.614 0.730 0.312 1.00 34.45 H new ATOM 0 HD12 ILE A 23 8.673 1.865 -0.685 1.00 34.45 H new ATOM 0 HD13 ILE A 23 7.850 0.842 0.516 1.00 34.45 H new ATOM 400 N ILE A 24 3.647 0.569 -1.772 1.00 2.15 N ATOM 401 CA ILE A 24 2.340 0.622 -2.461 1.00 10.12 C ATOM 402 C ILE A 24 2.287 1.850 -3.396 1.00 34.13 C ATOM 403 O ILE A 24 2.938 2.862 -3.142 1.00 65.20 O ATOM 404 CB ILE A 24 1.156 0.663 -1.414 1.00 12.25 C ATOM 405 CG1 ILE A 24 1.189 -0.609 -0.505 1.00 0.51 C ATOM 406 CG2 ILE A 24 -0.233 0.819 -2.097 1.00 23.12 C ATOM 407 CD1 ILE A 24 0.118 -0.648 0.571 1.00 0.12 C ATOM 0 H ILE A 24 3.764 1.300 -1.070 1.00 2.15 H new ATOM 0 HA ILE A 24 2.224 -0.280 -3.062 1.00 10.12 H new ATOM 0 HB ILE A 24 1.303 1.546 -0.793 1.00 12.25 H new ATOM 0 HG12 ILE A 24 1.084 -1.492 -1.135 1.00 0.51 H new ATOM 0 HG13 ILE A 24 2.167 -0.673 -0.028 1.00 0.51 H new ATOM 0 HG21 ILE A 24 -1.012 0.842 -1.335 1.00 23.12 H new ATOM 0 HG22 ILE A 24 -0.256 1.748 -2.667 1.00 23.12 H new ATOM 0 HG23 ILE A 24 -0.405 -0.023 -2.767 1.00 23.12 H new ATOM 0 HD11 ILE A 24 0.219 -1.565 1.151 1.00 0.12 H new ATOM 0 HD12 ILE A 24 0.233 0.213 1.230 1.00 0.12 H new ATOM 0 HD13 ILE A 24 -0.867 -0.620 0.105 1.00 0.12 H new ATOM 419 N LYS A 25 1.517 1.724 -4.481 1.00 53.44 N ATOM 420 CA LYS A 25 1.245 2.792 -5.448 1.00 23.12 C ATOM 421 C LYS A 25 -0.275 3.064 -5.481 1.00 45.45 C ATOM 422 O LYS A 25 -1.003 2.311 -6.134 1.00 12.23 O ATOM 423 CB LYS A 25 1.745 2.353 -6.852 1.00 34.44 C ATOM 424 CG LYS A 25 1.362 3.303 -8.005 1.00 14.12 C ATOM 425 CD LYS A 25 1.895 2.836 -9.375 1.00 62.10 C ATOM 426 CE LYS A 25 1.482 3.784 -10.510 1.00 41.41 C ATOM 427 NZ LYS A 25 1.919 5.187 -10.256 1.00 64.32 N ATOM 0 H LYS A 25 1.051 0.848 -4.718 1.00 53.44 H new ATOM 0 HA LYS A 25 1.766 3.704 -5.158 1.00 23.12 H new ATOM 0 HB2 LYS A 25 2.831 2.261 -6.822 1.00 34.44 H new ATOM 0 HB3 LYS A 25 1.347 1.362 -7.070 1.00 34.44 H new ATOM 0 HG2 LYS A 25 0.276 3.387 -8.053 1.00 14.12 H new ATOM 0 HG3 LYS A 25 1.749 4.299 -7.791 1.00 14.12 H new ATOM 0 HD2 LYS A 25 2.982 2.769 -9.337 1.00 62.10 H new ATOM 0 HD3 LYS A 25 1.521 1.834 -9.586 1.00 62.10 H new ATOM 0 HE2 LYS A 25 1.913 3.435 -11.448 1.00 41.41 H new ATOM 0 HE3 LYS A 25 0.399 3.758 -10.628 1.00 41.41 H new ATOM 0 HZ1 LYS A 25 1.773 5.757 -11.114 1.00 64.32 H new ATOM 0 HZ2 LYS A 25 1.362 5.588 -9.475 1.00 64.32 H new ATOM 0 HZ3 LYS A 25 2.928 5.196 -10.002 1.00 64.32 H new ATOM 441 N PRO A 26 -0.798 4.094 -4.739 1.00 30.23 N ATOM 442 CA PRO A 26 -2.207 4.519 -4.870 1.00 12.52 C ATOM 443 C PRO A 26 -2.457 5.108 -6.276 1.00 45.02 C ATOM 444 O PRO A 26 -1.988 6.208 -6.580 1.00 50.10 O ATOM 445 CB PRO A 26 -2.398 5.575 -3.736 1.00 34.44 C ATOM 446 CG PRO A 26 -1.206 5.406 -2.834 1.00 50.44 C ATOM 447 CD PRO A 26 -0.085 4.903 -3.720 1.00 74.23 C ATOM 0 HA PRO A 26 -2.919 3.700 -4.769 1.00 12.52 H new ATOM 0 HB2 PRO A 26 -2.444 6.585 -4.143 1.00 34.44 H new ATOM 0 HB3 PRO A 26 -3.329 5.407 -3.194 1.00 34.44 H new ATOM 0 HG2 PRO A 26 -0.937 6.350 -2.361 1.00 50.44 H new ATOM 0 HG3 PRO A 26 -1.419 4.698 -2.033 1.00 50.44 H new ATOM 0 HD2 PRO A 26 0.470 5.724 -4.174 1.00 74.23 H new ATOM 0 HD3 PRO A 26 0.633 4.304 -3.160 1.00 74.23 H new ATOM 455 N LEU A 27 -3.166 4.335 -7.121 1.00 13.54 N ATOM 456 CA LEU A 27 -3.379 4.628 -8.560 1.00 32.02 C ATOM 457 C LEU A 27 -3.943 6.036 -8.818 1.00 23.41 C ATOM 458 O LEU A 27 -3.563 6.694 -9.795 1.00 13.32 O ATOM 459 CB LEU A 27 -4.334 3.567 -9.163 1.00 61.21 C ATOM 460 CG LEU A 27 -3.787 2.110 -9.190 1.00 60.10 C ATOM 461 CD1 LEU A 27 -4.883 1.118 -9.604 1.00 13.11 C ATOM 462 CD2 LEU A 27 -2.544 1.997 -10.106 1.00 72.21 C ATOM 0 H LEU A 27 -3.618 3.471 -6.821 1.00 13.54 H new ATOM 0 HA LEU A 27 -2.402 4.590 -9.041 1.00 32.02 H new ATOM 0 HB2 LEU A 27 -5.264 3.577 -8.595 1.00 61.21 H new ATOM 0 HB3 LEU A 27 -4.580 3.863 -10.183 1.00 61.21 H new ATOM 0 HG LEU A 27 -3.473 1.850 -8.179 1.00 60.10 H new ATOM 0 HD11 LEU A 27 -4.474 0.108 -9.615 1.00 13.11 H new ATOM 0 HD12 LEU A 27 -5.707 1.168 -8.892 1.00 13.11 H new ATOM 0 HD13 LEU A 27 -5.247 1.373 -10.599 1.00 13.11 H new ATOM 0 HD21 LEU A 27 -2.184 0.968 -10.105 1.00 72.21 H new ATOM 0 HD22 LEU A 27 -2.813 2.287 -11.122 1.00 72.21 H new ATOM 0 HD23 LEU A 27 -1.759 2.657 -9.737 1.00 72.21 H new ATOM 474 N ASP A 28 -4.856 6.476 -7.943 1.00 62.51 N ATOM 475 CA ASP A 28 -5.548 7.768 -8.088 1.00 51.54 C ATOM 476 C ASP A 28 -4.628 8.955 -7.705 1.00 23.03 C ATOM 477 O ASP A 28 -4.792 10.067 -8.221 1.00 24.14 O ATOM 478 CB ASP A 28 -6.846 7.769 -7.232 1.00 53.34 C ATOM 479 CG ASP A 28 -7.728 9.016 -7.473 1.00 34.43 C ATOM 480 OD1 ASP A 28 -8.254 9.165 -8.598 1.00 41.21 O ATOM 481 OD2 ASP A 28 -7.886 9.851 -6.559 1.00 41.34 O ATOM 0 H ASP A 28 -5.137 5.950 -7.116 1.00 62.51 H new ATOM 0 HA ASP A 28 -5.816 7.898 -9.137 1.00 51.54 H new ATOM 0 HB2 ASP A 28 -7.424 6.873 -7.458 1.00 53.34 H new ATOM 0 HB3 ASP A 28 -6.579 7.718 -6.177 1.00 53.34 H new ATOM 486 N VAL A 29 -3.644 8.703 -6.816 1.00 64.02 N ATOM 487 CA VAL A 29 -2.768 9.754 -6.254 1.00 41.05 C ATOM 488 C VAL A 29 -1.385 9.777 -6.955 1.00 52.14 C ATOM 489 O VAL A 29 -0.564 8.879 -6.759 1.00 34.43 O ATOM 490 CB VAL A 29 -2.587 9.561 -4.701 1.00 41.30 C ATOM 491 CG1 VAL A 29 -1.716 10.679 -4.088 1.00 4.44 C ATOM 492 CG2 VAL A 29 -3.957 9.476 -3.984 1.00 45.32 C ATOM 0 H VAL A 29 -3.434 7.767 -6.468 1.00 64.02 H new ATOM 0 HA VAL A 29 -3.254 10.713 -6.434 1.00 41.05 H new ATOM 0 HB VAL A 29 -2.067 8.615 -4.551 1.00 41.30 H new ATOM 0 HG11 VAL A 29 -1.613 10.513 -3.016 1.00 4.44 H new ATOM 0 HG12 VAL A 29 -0.730 10.669 -4.553 1.00 4.44 H new ATOM 0 HG13 VAL A 29 -2.189 11.645 -4.262 1.00 4.44 H new ATOM 0 HG21 VAL A 29 -3.800 9.343 -2.914 1.00 45.32 H new ATOM 0 HG22 VAL A 29 -4.516 10.396 -4.157 1.00 45.32 H new ATOM 0 HG23 VAL A 29 -4.521 8.630 -4.376 1.00 45.32 H new ATOM 502 N ASN A 30 -1.160 10.815 -7.778 1.00 32.31 N ATOM 503 CA ASN A 30 0.131 11.076 -8.465 1.00 3.42 C ATOM 504 C ASN A 30 1.052 12.003 -7.631 1.00 11.05 C ATOM 505 O ASN A 30 2.271 12.025 -7.844 1.00 64.32 O ATOM 506 CB ASN A 30 -0.149 11.695 -9.874 1.00 45.21 C ATOM 507 CG ASN A 30 1.108 12.175 -10.621 1.00 72.54 C ATOM 508 OD1 ASN A 30 1.762 11.419 -11.345 1.00 31.35 O ATOM 509 ND2 ASN A 30 1.456 13.446 -10.444 1.00 73.23 N ATOM 0 H ASN A 30 -1.875 11.510 -7.992 1.00 32.31 H new ATOM 0 HA ASN A 30 0.657 10.128 -8.581 1.00 3.42 H new ATOM 0 HB2 ASN A 30 -0.660 10.953 -10.488 1.00 45.21 H new ATOM 0 HB3 ASN A 30 -0.831 12.537 -9.758 1.00 45.21 H new ATOM 0 HD21 ASN A 30 2.282 13.819 -10.912 1.00 73.23 H new ATOM 0 HD22 ASN A 30 0.897 14.048 -9.840 1.00 73.23 H new ATOM 516 N SER A 31 0.484 12.747 -6.669 1.00 24.33 N ATOM 517 CA SER A 31 1.234 13.784 -5.924 1.00 41.14 C ATOM 518 C SER A 31 1.584 13.302 -4.510 1.00 31.32 C ATOM 519 O SER A 31 0.720 12.773 -3.800 1.00 64.22 O ATOM 520 CB SER A 31 0.415 15.085 -5.872 1.00 54.22 C ATOM 521 OG SER A 31 0.044 15.500 -7.180 1.00 62.34 O ATOM 0 H SER A 31 -0.491 12.654 -6.385 1.00 24.33 H new ATOM 0 HA SER A 31 2.171 13.979 -6.446 1.00 41.14 H new ATOM 0 HB2 SER A 31 -0.479 14.934 -5.266 1.00 54.22 H new ATOM 0 HB3 SER A 31 0.999 15.869 -5.389 1.00 54.22 H new ATOM 0 HG SER A 31 -0.890 15.796 -7.177 1.00 62.34 H new ATOM 527 N ARG A 32 2.859 13.513 -4.117 1.00 62.22 N ATOM 528 CA ARG A 32 3.404 13.116 -2.799 1.00 21.23 C ATOM 529 C ARG A 32 2.627 13.783 -1.638 1.00 52.35 C ATOM 530 O ARG A 32 2.314 13.126 -0.647 1.00 4.12 O ATOM 531 CB ARG A 32 4.913 13.500 -2.707 1.00 42.25 C ATOM 532 CG ARG A 32 5.553 13.312 -1.306 1.00 32.22 C ATOM 533 CD ARG A 32 7.035 13.737 -1.229 1.00 54.04 C ATOM 534 NE ARG A 32 7.450 13.943 0.174 1.00 14.31 N ATOM 535 CZ ARG A 32 8.708 13.983 0.629 1.00 55.15 C ATOM 536 NH1 ARG A 32 9.745 13.805 -0.180 1.00 21.42 N ATOM 537 NH2 ARG A 32 8.930 14.259 1.903 1.00 33.11 N ATOM 0 H ARG A 32 3.548 13.970 -4.714 1.00 62.22 H new ATOM 0 HA ARG A 32 3.293 12.036 -2.706 1.00 21.23 H new ATOM 0 HB2 ARG A 32 5.470 12.901 -3.428 1.00 42.25 H new ATOM 0 HB3 ARG A 32 5.026 14.542 -3.005 1.00 42.25 H new ATOM 0 HG2 ARG A 32 4.982 13.888 -0.577 1.00 32.22 H new ATOM 0 HG3 ARG A 32 5.471 12.264 -1.018 1.00 32.22 H new ATOM 0 HD2 ARG A 32 7.661 12.973 -1.690 1.00 54.04 H new ATOM 0 HD3 ARG A 32 7.184 14.656 -1.796 1.00 54.04 H new ATOM 0 HE ARG A 32 6.707 14.067 0.861 1.00 14.31 H new ATOM 0 HH11 ARG A 32 9.593 13.633 -1.174 1.00 21.42 H new ATOM 0 HH12 ARG A 32 10.694 13.840 0.192 1.00 21.42 H new ATOM 0 HH21 ARG A 32 8.146 14.439 2.530 1.00 33.11 H new ATOM 0 HH22 ARG A 32 9.885 14.292 2.259 1.00 33.11 H new ATOM 551 N GLU A 33 2.338 15.096 -1.791 1.00 35.54 N ATOM 552 CA GLU A 33 1.626 15.912 -0.778 1.00 23.23 C ATOM 553 C GLU A 33 0.194 15.389 -0.534 1.00 42.20 C ATOM 554 O GLU A 33 -0.277 15.317 0.615 1.00 12.10 O ATOM 555 CB GLU A 33 1.597 17.394 -1.238 1.00 13.23 C ATOM 556 CG GLU A 33 2.995 18.036 -1.366 1.00 55.52 C ATOM 557 CD GLU A 33 2.958 19.423 -2.025 1.00 3.30 C ATOM 558 OE1 GLU A 33 3.000 19.498 -3.272 1.00 43.31 O ATOM 559 OE2 GLU A 33 2.884 20.442 -1.309 1.00 60.34 O ATOM 0 H GLU A 33 2.594 15.623 -2.626 1.00 35.54 H new ATOM 0 HA GLU A 33 2.163 15.836 0.168 1.00 23.23 H new ATOM 0 HB2 GLU A 33 1.090 17.456 -2.201 1.00 13.23 H new ATOM 0 HB3 GLU A 33 1.006 17.973 -0.529 1.00 13.23 H new ATOM 0 HG2 GLU A 33 3.442 18.122 -0.376 1.00 55.52 H new ATOM 0 HG3 GLU A 33 3.639 17.379 -1.950 1.00 55.52 H new ATOM 566 N GLU A 34 -0.474 14.996 -1.634 1.00 41.12 N ATOM 567 CA GLU A 34 -1.825 14.410 -1.586 1.00 34.32 C ATOM 568 C GLU A 34 -1.806 13.028 -0.915 1.00 32.33 C ATOM 569 O GLU A 34 -2.762 12.663 -0.236 1.00 4.33 O ATOM 570 CB GLU A 34 -2.440 14.340 -3.008 1.00 32.14 C ATOM 571 CG GLU A 34 -2.748 15.727 -3.601 1.00 42.50 C ATOM 572 CD GLU A 34 -3.377 15.679 -5.003 1.00 34.34 C ATOM 573 OE1 GLU A 34 -4.522 15.201 -5.129 1.00 34.20 O ATOM 574 OE2 GLU A 34 -2.741 16.120 -5.983 1.00 11.12 O ATOM 0 H GLU A 34 -0.094 15.075 -2.577 1.00 41.12 H new ATOM 0 HA GLU A 34 -2.456 15.058 -0.978 1.00 34.32 H new ATOM 0 HB2 GLU A 34 -1.752 13.813 -3.669 1.00 32.14 H new ATOM 0 HB3 GLU A 34 -3.359 13.755 -2.972 1.00 32.14 H new ATOM 0 HG2 GLU A 34 -3.423 16.257 -2.929 1.00 42.50 H new ATOM 0 HG3 GLU A 34 -1.825 16.305 -3.647 1.00 42.50 H new ATOM 581 N ALA A 35 -0.709 12.277 -1.105 1.00 61.21 N ATOM 582 CA ALA A 35 -0.469 11.006 -0.388 1.00 52.43 C ATOM 583 C ALA A 35 -0.074 11.250 1.092 1.00 4.14 C ATOM 584 O ALA A 35 -0.311 10.398 1.955 1.00 20.12 O ATOM 585 CB ALA A 35 0.617 10.194 -1.118 1.00 41.04 C ATOM 0 H ALA A 35 0.035 12.529 -1.756 1.00 61.21 H new ATOM 0 HA ALA A 35 -1.398 10.436 -0.383 1.00 52.43 H new ATOM 0 HB1 ALA A 35 0.791 9.258 -0.586 1.00 41.04 H new ATOM 0 HB2 ALA A 35 0.288 9.978 -2.135 1.00 41.04 H new ATOM 0 HB3 ALA A 35 1.542 10.770 -1.150 1.00 41.04 H new ATOM 591 N SER A 36 0.505 12.436 1.370 1.00 31.34 N ATOM 592 CA SER A 36 1.082 12.780 2.687 1.00 3.35 C ATOM 593 C SER A 36 -0.008 13.081 3.731 1.00 31.42 C ATOM 594 O SER A 36 0.167 12.790 4.918 1.00 60.21 O ATOM 595 CB SER A 36 2.044 13.977 2.544 1.00 51.45 C ATOM 596 OG SER A 36 2.760 14.244 3.740 1.00 53.31 O ATOM 0 H SER A 36 0.586 13.186 0.684 1.00 31.34 H new ATOM 0 HA SER A 36 1.639 11.914 3.045 1.00 3.35 H new ATOM 0 HB2 SER A 36 2.750 13.777 1.738 1.00 51.45 H new ATOM 0 HB3 SER A 36 1.477 14.863 2.258 1.00 51.45 H new ATOM 0 HG SER A 36 3.357 15.009 3.600 1.00 53.31 H new ATOM 602 N LYS A 37 -1.132 13.680 3.288 1.00 13.32 N ATOM 603 CA LYS A 37 -2.319 13.856 4.157 1.00 14.31 C ATOM 604 C LYS A 37 -2.975 12.490 4.455 1.00 54.01 C ATOM 605 O LYS A 37 -3.680 12.329 5.458 1.00 24.33 O ATOM 606 CB LYS A 37 -3.352 14.826 3.516 1.00 64.21 C ATOM 607 CG LYS A 37 -4.091 14.274 2.274 1.00 41.10 C ATOM 608 CD LYS A 37 -5.124 15.269 1.694 1.00 12.23 C ATOM 609 CE LYS A 37 -6.046 14.616 0.648 1.00 71.42 C ATOM 610 NZ LYS A 37 -5.298 14.044 -0.505 1.00 43.24 N ATOM 0 H LYS A 37 -1.245 14.048 2.343 1.00 13.32 H new ATOM 0 HA LYS A 37 -1.984 14.298 5.095 1.00 14.31 H new ATOM 0 HB2 LYS A 37 -4.092 15.093 4.270 1.00 64.21 H new ATOM 0 HB3 LYS A 37 -2.838 15.745 3.234 1.00 64.21 H new ATOM 0 HG2 LYS A 37 -3.361 14.027 1.504 1.00 41.10 H new ATOM 0 HG3 LYS A 37 -4.598 13.347 2.542 1.00 41.10 H new ATOM 0 HD2 LYS A 37 -5.729 15.674 2.505 1.00 12.23 H new ATOM 0 HD3 LYS A 37 -4.599 16.108 1.238 1.00 12.23 H new ATOM 0 HE2 LYS A 37 -6.627 13.827 1.125 1.00 71.42 H new ATOM 0 HE3 LYS A 37 -6.756 15.358 0.282 1.00 71.42 H new ATOM 0 HZ1 LYS A 37 -5.943 13.474 -1.089 1.00 43.24 H new ATOM 0 HZ2 LYS A 37 -4.902 14.816 -1.079 1.00 43.24 H new ATOM 0 HZ3 LYS A 37 -4.526 13.442 -0.154 1.00 43.24 H new ATOM 624 N LEU A 38 -2.711 11.508 3.574 1.00 31.41 N ATOM 625 CA LEU A 38 -3.328 10.179 3.617 1.00 23.31 C ATOM 626 C LEU A 38 -2.550 9.197 4.518 1.00 41.24 C ATOM 627 O LEU A 38 -2.924 8.027 4.608 1.00 22.10 O ATOM 628 CB LEU A 38 -3.425 9.613 2.180 1.00 4.44 C ATOM 629 CG LEU A 38 -4.374 10.334 1.189 1.00 61.22 C ATOM 630 CD1 LEU A 38 -4.252 9.717 -0.225 1.00 13.34 C ATOM 631 CD2 LEU A 38 -5.831 10.312 1.701 1.00 3.22 C ATOM 0 H LEU A 38 -2.053 11.622 2.803 1.00 31.41 H new ATOM 0 HA LEU A 38 -4.323 10.289 4.049 1.00 23.31 H new ATOM 0 HB2 LEU A 38 -2.424 9.616 1.749 1.00 4.44 H new ATOM 0 HB3 LEU A 38 -3.739 8.572 2.249 1.00 4.44 H new ATOM 0 HG LEU A 38 -4.074 11.380 1.121 1.00 61.22 H new ATOM 0 HD11 LEU A 38 -4.925 10.236 -0.908 1.00 13.34 H new ATOM 0 HD12 LEU A 38 -3.226 9.819 -0.579 1.00 13.34 H new ATOM 0 HD13 LEU A 38 -4.518 8.661 -0.185 1.00 13.34 H new ATOM 0 HD21 LEU A 38 -6.475 10.825 0.987 1.00 3.22 H new ATOM 0 HD22 LEU A 38 -6.162 9.279 1.812 1.00 3.22 H new ATOM 0 HD23 LEU A 38 -5.885 10.816 2.666 1.00 3.22 H new ATOM 643 N ILE A 39 -1.468 9.647 5.164 1.00 44.32 N ATOM 644 CA ILE A 39 -0.663 8.777 6.042 1.00 25.43 C ATOM 645 C ILE A 39 -1.476 8.354 7.288 1.00 34.01 C ATOM 646 O ILE A 39 -2.195 9.167 7.872 1.00 35.13 O ATOM 647 CB ILE A 39 0.692 9.462 6.462 1.00 24.12 C ATOM 648 CG1 ILE A 39 1.542 9.813 5.196 1.00 55.42 C ATOM 649 CG2 ILE A 39 1.503 8.591 7.457 1.00 64.24 C ATOM 650 CD1 ILE A 39 1.743 8.675 4.215 1.00 32.22 C ATOM 0 H ILE A 39 -1.127 10.606 5.098 1.00 44.32 H new ATOM 0 HA ILE A 39 -0.411 7.882 5.474 1.00 25.43 H new ATOM 0 HB ILE A 39 0.445 10.387 6.983 1.00 24.12 H new ATOM 0 HG12 ILE A 39 1.061 10.640 4.674 1.00 55.42 H new ATOM 0 HG13 ILE A 39 2.520 10.167 5.522 1.00 55.42 H new ATOM 0 HG21 ILE A 39 2.429 9.103 7.718 1.00 64.24 H new ATOM 0 HG22 ILE A 39 0.914 8.424 8.359 1.00 64.24 H new ATOM 0 HG23 ILE A 39 1.737 7.632 6.994 1.00 64.24 H new ATOM 0 HD11 ILE A 39 2.344 9.021 3.374 1.00 32.22 H new ATOM 0 HD12 ILE A 39 2.255 7.852 4.713 1.00 32.22 H new ATOM 0 HD13 ILE A 39 0.774 8.333 3.852 1.00 32.22 H new ATOM 662 N GLY A 40 -1.385 7.059 7.630 1.00 20.03 N ATOM 663 CA GLY A 40 -2.011 6.494 8.828 1.00 65.24 C ATOM 664 C GLY A 40 -3.177 5.571 8.520 1.00 2.24 C ATOM 665 O GLY A 40 -3.685 4.906 9.430 1.00 11.13 O ATOM 0 H GLY A 40 -0.871 6.373 7.077 1.00 20.03 H new ATOM 0 HA2 GLY A 40 -1.261 5.943 9.396 1.00 65.24 H new ATOM 0 HA3 GLY A 40 -2.359 7.307 9.465 1.00 65.24 H new ATOM 669 N ARG A 41 -3.606 5.520 7.244 1.00 33.40 N ATOM 670 CA ARG A 41 -4.769 4.710 6.830 1.00 55.25 C ATOM 671 C ARG A 41 -4.378 3.231 6.662 1.00 73.12 C ATOM 672 O ARG A 41 -3.215 2.909 6.372 1.00 60.11 O ATOM 673 CB ARG A 41 -5.410 5.301 5.541 1.00 11.22 C ATOM 674 CG ARG A 41 -4.506 5.373 4.289 1.00 14.43 C ATOM 675 CD ARG A 41 -5.116 6.273 3.168 1.00 24.53 C ATOM 676 NE ARG A 41 -4.603 5.986 1.799 1.00 62.52 N ATOM 677 CZ ARG A 41 -3.349 6.189 1.337 1.00 30.51 C ATOM 678 NH1 ARG A 41 -2.382 6.679 2.109 1.00 51.52 N ATOM 679 NH2 ARG A 41 -3.078 5.920 0.065 1.00 32.31 N ATOM 0 H ARG A 41 -3.164 6.031 6.480 1.00 33.40 H new ATOM 0 HA ARG A 41 -5.523 4.749 7.616 1.00 55.25 H new ATOM 0 HB2 ARG A 41 -6.288 4.705 5.293 1.00 11.22 H new ATOM 0 HB3 ARG A 41 -5.761 6.308 5.766 1.00 11.22 H new ATOM 0 HG2 ARG A 41 -3.528 5.762 4.572 1.00 14.43 H new ATOM 0 HG3 ARG A 41 -4.349 4.367 3.899 1.00 14.43 H new ATOM 0 HD2 ARG A 41 -6.199 6.150 3.170 1.00 24.53 H new ATOM 0 HD3 ARG A 41 -4.913 7.317 3.407 1.00 24.53 H new ATOM 0 HE ARG A 41 -5.272 5.593 1.137 1.00 62.52 H new ATOM 0 HH11 ARG A 41 -2.576 6.914 3.082 1.00 51.52 H new ATOM 0 HH12 ARG A 41 -1.447 6.819 1.727 1.00 51.52 H new ATOM 0 HH21 ARG A 41 -3.811 5.565 -0.549 1.00 32.31 H new ATOM 0 HH22 ARG A 41 -2.136 6.068 -0.298 1.00 32.31 H new ATOM 693 N LEU A 42 -5.373 2.347 6.839 1.00 53.32 N ATOM 694 CA LEU A 42 -5.177 0.889 6.842 1.00 65.02 C ATOM 695 C LEU A 42 -5.341 0.355 5.418 1.00 4.22 C ATOM 696 O LEU A 42 -6.118 0.897 4.638 1.00 40.31 O ATOM 697 CB LEU A 42 -6.215 0.221 7.790 1.00 72.31 C ATOM 698 CG LEU A 42 -6.129 -1.336 7.961 1.00 2.41 C ATOM 699 CD1 LEU A 42 -4.782 -1.762 8.573 1.00 24.44 C ATOM 700 CD2 LEU A 42 -7.319 -1.872 8.791 1.00 23.54 C ATOM 0 H LEU A 42 -6.343 2.626 6.985 1.00 53.32 H new ATOM 0 HA LEU A 42 -4.175 0.654 7.200 1.00 65.02 H new ATOM 0 HB2 LEU A 42 -6.114 0.676 8.776 1.00 72.31 H new ATOM 0 HB3 LEU A 42 -7.213 0.467 7.426 1.00 72.31 H new ATOM 0 HG LEU A 42 -6.190 -1.781 6.968 1.00 2.41 H new ATOM 0 HD11 LEU A 42 -4.757 -2.847 8.677 1.00 24.44 H new ATOM 0 HD12 LEU A 42 -3.969 -1.441 7.922 1.00 24.44 H new ATOM 0 HD13 LEU A 42 -4.666 -1.300 9.554 1.00 24.44 H new ATOM 0 HD21 LEU A 42 -7.233 -2.954 8.893 1.00 23.54 H new ATOM 0 HD22 LEU A 42 -7.310 -1.412 9.779 1.00 23.54 H new ATOM 0 HD23 LEU A 42 -8.254 -1.628 8.286 1.00 23.54 H new ATOM 712 N VAL A 43 -4.586 -0.694 5.084 1.00 11.32 N ATOM 713 CA VAL A 43 -4.641 -1.349 3.774 1.00 3.12 C ATOM 714 C VAL A 43 -5.113 -2.793 3.963 1.00 23.40 C ATOM 715 O VAL A 43 -4.610 -3.503 4.835 1.00 24.45 O ATOM 716 CB VAL A 43 -3.246 -1.348 3.053 1.00 70.13 C ATOM 717 CG1 VAL A 43 -3.354 -1.933 1.625 1.00 4.22 C ATOM 718 CG2 VAL A 43 -2.634 0.067 3.025 1.00 63.35 C ATOM 0 H VAL A 43 -3.912 -1.117 5.722 1.00 11.32 H new ATOM 0 HA VAL A 43 -5.336 -0.791 3.146 1.00 3.12 H new ATOM 0 HB VAL A 43 -2.578 -1.990 3.627 1.00 70.13 H new ATOM 0 HG11 VAL A 43 -2.373 -1.919 1.151 1.00 4.22 H new ATOM 0 HG12 VAL A 43 -3.717 -2.960 1.679 1.00 4.22 H new ATOM 0 HG13 VAL A 43 -4.049 -1.333 1.038 1.00 4.22 H new ATOM 0 HG21 VAL A 43 -1.669 0.036 2.520 1.00 63.35 H new ATOM 0 HG22 VAL A 43 -3.302 0.742 2.490 1.00 63.35 H new ATOM 0 HG23 VAL A 43 -2.498 0.425 4.046 1.00 63.35 H new ATOM 728 N LEU A 44 -6.088 -3.197 3.149 1.00 11.10 N ATOM 729 CA LEU A 44 -6.609 -4.565 3.095 1.00 34.41 C ATOM 730 C LEU A 44 -6.232 -5.151 1.730 1.00 24.24 C ATOM 731 O LEU A 44 -6.790 -4.749 0.702 1.00 43.53 O ATOM 732 CB LEU A 44 -8.154 -4.555 3.284 1.00 14.22 C ATOM 733 CG LEU A 44 -8.683 -3.852 4.571 1.00 65.52 C ATOM 734 CD1 LEU A 44 -10.221 -3.848 4.602 1.00 20.30 C ATOM 735 CD2 LEU A 44 -8.094 -4.486 5.846 1.00 31.14 C ATOM 0 H LEU A 44 -6.549 -2.568 2.492 1.00 11.10 H new ATOM 0 HA LEU A 44 -6.183 -5.173 3.893 1.00 34.41 H new ATOM 0 HB2 LEU A 44 -8.602 -4.068 2.418 1.00 14.22 H new ATOM 0 HB3 LEU A 44 -8.506 -5.587 3.287 1.00 14.22 H new ATOM 0 HG LEU A 44 -8.347 -2.815 4.544 1.00 65.52 H new ATOM 0 HD11 LEU A 44 -10.565 -3.352 5.510 1.00 20.30 H new ATOM 0 HD12 LEU A 44 -10.601 -3.315 3.731 1.00 20.30 H new ATOM 0 HD13 LEU A 44 -10.588 -4.874 4.588 1.00 20.30 H new ATOM 0 HD21 LEU A 44 -8.485 -3.970 6.723 1.00 31.14 H new ATOM 0 HD22 LEU A 44 -8.372 -5.539 5.890 1.00 31.14 H new ATOM 0 HD23 LEU A 44 -7.008 -4.398 5.828 1.00 31.14 H new ATOM 747 N TRP A 45 -5.244 -6.051 1.719 1.00 2.32 N ATOM 748 CA TRP A 45 -4.772 -6.717 0.497 1.00 4.33 C ATOM 749 C TRP A 45 -4.831 -8.236 0.688 1.00 73.41 C ATOM 750 O TRP A 45 -4.234 -8.768 1.621 1.00 42.01 O ATOM 751 CB TRP A 45 -3.330 -6.270 0.153 1.00 41.10 C ATOM 752 CG TRP A 45 -2.757 -6.986 -1.050 1.00 70.43 C ATOM 753 CD1 TRP A 45 -3.093 -6.794 -2.360 1.00 72.40 C ATOM 754 CD2 TRP A 45 -1.772 -8.031 -1.046 1.00 41.02 C ATOM 755 NE1 TRP A 45 -2.376 -7.637 -3.162 1.00 70.32 N ATOM 756 CE2 TRP A 45 -1.563 -8.410 -2.381 1.00 23.21 C ATOM 757 CE3 TRP A 45 -1.061 -8.672 -0.052 1.00 2.52 C ATOM 758 CZ2 TRP A 45 -0.663 -9.393 -2.742 1.00 2.53 C ATOM 759 CZ3 TRP A 45 -0.165 -9.660 -0.408 1.00 62.12 C ATOM 760 CH2 TRP A 45 0.023 -10.014 -1.743 1.00 13.51 C ATOM 0 H TRP A 45 -4.746 -6.341 2.560 1.00 2.32 H new ATOM 0 HA TRP A 45 -5.419 -6.435 -0.334 1.00 4.33 H new ATOM 0 HB2 TRP A 45 -3.324 -5.196 -0.034 1.00 41.10 H new ATOM 0 HB3 TRP A 45 -2.686 -6.447 1.014 1.00 41.10 H new ATOM 0 HD1 TRP A 45 -3.821 -6.078 -2.712 1.00 72.40 H new ATOM 0 HE1 TRP A 45 -2.438 -7.682 -4.179 1.00 70.32 H new ATOM 0 HE3 TRP A 45 -1.203 -8.406 0.985 1.00 2.52 H new ATOM 0 HZ2 TRP A 45 -0.509 -9.659 -3.777 1.00 2.53 H new ATOM 0 HZ3 TRP A 45 0.400 -10.167 0.360 1.00 62.12 H new ATOM 0 HH2 TRP A 45 0.726 -10.796 -1.990 1.00 13.51 H new ATOM 771 N LYS A 46 -5.539 -8.916 -0.216 1.00 12.11 N ATOM 772 CA LYS A 46 -5.631 -10.379 -0.232 1.00 33.13 C ATOM 773 C LYS A 46 -4.375 -10.953 -0.916 1.00 52.52 C ATOM 774 O LYS A 46 -4.084 -10.599 -2.063 1.00 53.42 O ATOM 775 CB LYS A 46 -6.906 -10.833 -1.002 1.00 11.02 C ATOM 776 CG LYS A 46 -7.174 -12.359 -0.964 1.00 10.45 C ATOM 777 CD LYS A 46 -8.220 -12.818 -2.008 1.00 70.14 C ATOM 778 CE LYS A 46 -8.570 -14.313 -1.878 1.00 52.12 C ATOM 779 NZ LYS A 46 -9.326 -14.608 -0.627 1.00 34.42 N ATOM 0 H LYS A 46 -6.068 -8.465 -0.962 1.00 12.11 H new ATOM 0 HA LYS A 46 -5.696 -10.748 0.792 1.00 33.13 H new ATOM 0 HB2 LYS A 46 -7.770 -10.315 -0.585 1.00 11.02 H new ATOM 0 HB3 LYS A 46 -6.817 -10.519 -2.042 1.00 11.02 H new ATOM 0 HG2 LYS A 46 -6.238 -12.891 -1.138 1.00 10.45 H new ATOM 0 HG3 LYS A 46 -7.518 -12.637 0.032 1.00 10.45 H new ATOM 0 HD2 LYS A 46 -9.127 -12.225 -1.893 1.00 70.14 H new ATOM 0 HD3 LYS A 46 -7.837 -12.624 -3.010 1.00 70.14 H new ATOM 0 HE2 LYS A 46 -9.162 -14.622 -2.740 1.00 52.12 H new ATOM 0 HE3 LYS A 46 -7.653 -14.902 -1.894 1.00 52.12 H new ATOM 0 HZ1 LYS A 46 -9.867 -15.488 -0.747 1.00 34.42 H new ATOM 0 HZ2 LYS A 46 -8.660 -14.716 0.164 1.00 34.42 H new ATOM 0 HZ3 LYS A 46 -9.980 -13.825 -0.424 1.00 34.42 H new ATOM 793 N SER A 47 -3.634 -11.815 -0.203 1.00 11.44 N ATOM 794 CA SER A 47 -2.508 -12.572 -0.777 1.00 44.34 C ATOM 795 C SER A 47 -3.019 -13.567 -1.851 1.00 44.44 C ATOM 796 O SER A 47 -4.181 -14.003 -1.777 1.00 75.03 O ATOM 797 CB SER A 47 -1.741 -13.319 0.352 1.00 24.24 C ATOM 798 OG SER A 47 -2.574 -14.247 1.037 1.00 3.22 O ATOM 0 H SER A 47 -3.797 -12.007 0.785 1.00 11.44 H new ATOM 0 HA SER A 47 -1.821 -11.877 -1.260 1.00 44.34 H new ATOM 0 HB2 SER A 47 -0.887 -13.845 -0.076 1.00 24.24 H new ATOM 0 HB3 SER A 47 -1.345 -12.594 1.063 1.00 24.24 H new ATOM 0 HG SER A 47 -3.221 -13.760 1.589 1.00 3.22 H new ATOM 804 N PRO A 48 -2.176 -13.943 -2.878 1.00 24.15 N ATOM 805 CA PRO A 48 -2.545 -14.998 -3.865 1.00 74.42 C ATOM 806 C PRO A 48 -2.752 -16.383 -3.192 1.00 63.10 C ATOM 807 O PRO A 48 -3.298 -17.304 -3.807 1.00 31.14 O ATOM 808 CB PRO A 48 -1.365 -14.988 -4.880 1.00 43.25 C ATOM 809 CG PRO A 48 -0.219 -14.347 -4.146 1.00 43.22 C ATOM 810 CD PRO A 48 -0.843 -13.348 -3.187 1.00 43.32 C ATOM 0 HA PRO A 48 -3.501 -14.803 -4.351 1.00 74.42 H new ATOM 0 HB2 PRO A 48 -1.112 -15.999 -5.200 1.00 43.25 H new ATOM 0 HB3 PRO A 48 -1.622 -14.425 -5.777 1.00 43.25 H new ATOM 0 HG2 PRO A 48 0.365 -15.093 -3.607 1.00 43.22 H new ATOM 0 HG3 PRO A 48 0.460 -13.851 -4.839 1.00 43.22 H new ATOM 0 HD2 PRO A 48 -0.240 -13.226 -2.287 1.00 43.32 H new ATOM 0 HD3 PRO A 48 -0.940 -12.362 -3.642 1.00 43.32 H new ATOM 818 N SER A 49 -2.315 -16.490 -1.917 1.00 1.32 N ATOM 819 CA SER A 49 -2.593 -17.635 -1.036 1.00 75.41 C ATOM 820 C SER A 49 -4.085 -17.661 -0.626 1.00 31.53 C ATOM 821 O SER A 49 -4.713 -18.725 -0.596 1.00 34.53 O ATOM 822 CB SER A 49 -1.707 -17.530 0.227 1.00 53.22 C ATOM 823 OG SER A 49 -0.337 -17.383 -0.115 1.00 15.31 O ATOM 0 H SER A 49 -1.750 -15.768 -1.469 1.00 1.32 H new ATOM 0 HA SER A 49 -2.368 -18.557 -1.573 1.00 75.41 H new ATOM 0 HB2 SER A 49 -2.027 -16.679 0.829 1.00 53.22 H new ATOM 0 HB3 SER A 49 -1.837 -18.422 0.840 1.00 53.22 H new ATOM 0 HG SER A 49 0.199 -17.317 0.703 1.00 15.31 H new ATOM 829 N GLY A 50 -4.629 -16.474 -0.292 1.00 33.01 N ATOM 830 CA GLY A 50 -6.039 -16.330 0.103 1.00 25.35 C ATOM 831 C GLY A 50 -6.229 -15.450 1.328 1.00 31.33 C ATOM 832 O GLY A 50 -7.318 -14.886 1.528 1.00 0.22 O ATOM 0 H GLY A 50 -4.107 -15.598 -0.289 1.00 33.01 H new ATOM 0 HA2 GLY A 50 -6.602 -15.909 -0.730 1.00 25.35 H new ATOM 0 HA3 GLY A 50 -6.456 -17.317 0.304 1.00 25.35 H new ATOM 836 N LYS A 51 -5.167 -15.324 2.140 1.00 22.22 N ATOM 837 CA LYS A 51 -5.205 -14.608 3.427 1.00 22.24 C ATOM 838 C LYS A 51 -5.248 -13.088 3.191 1.00 11.51 C ATOM 839 O LYS A 51 -4.349 -12.541 2.549 1.00 23.51 O ATOM 840 CB LYS A 51 -3.960 -14.957 4.312 1.00 13.20 C ATOM 841 CG LYS A 51 -3.814 -16.439 4.755 1.00 30.30 C ATOM 842 CD LYS A 51 -3.326 -17.392 3.633 1.00 11.41 C ATOM 843 CE LYS A 51 -3.116 -18.838 4.125 1.00 71.43 C ATOM 844 NZ LYS A 51 -4.347 -19.413 4.736 1.00 3.24 N ATOM 0 H LYS A 51 -4.252 -15.718 1.921 1.00 22.22 H new ATOM 0 HA LYS A 51 -6.106 -14.925 3.952 1.00 22.24 H new ATOM 0 HB2 LYS A 51 -3.062 -14.676 3.762 1.00 13.20 H new ATOM 0 HB3 LYS A 51 -3.993 -14.336 5.207 1.00 13.20 H new ATOM 0 HG2 LYS A 51 -3.115 -16.490 5.589 1.00 30.30 H new ATOM 0 HG3 LYS A 51 -4.777 -16.793 5.124 1.00 30.30 H new ATOM 0 HD2 LYS A 51 -4.053 -17.392 2.821 1.00 11.41 H new ATOM 0 HD3 LYS A 51 -2.390 -17.013 3.223 1.00 11.41 H new ATOM 0 HE2 LYS A 51 -2.803 -19.462 3.288 1.00 71.43 H new ATOM 0 HE3 LYS A 51 -2.308 -18.857 4.856 1.00 71.43 H new ATOM 0 HZ1 LYS A 51 -4.188 -20.416 4.959 1.00 3.24 H new ATOM 0 HZ2 LYS A 51 -4.575 -18.896 5.609 1.00 3.24 H new ATOM 0 HZ3 LYS A 51 -5.139 -19.328 4.067 1.00 3.24 H new ATOM 858 N ILE A 52 -6.285 -12.422 3.721 1.00 50.54 N ATOM 859 CA ILE A 52 -6.410 -10.953 3.654 1.00 35.41 C ATOM 860 C ILE A 52 -5.500 -10.334 4.728 1.00 62.52 C ATOM 861 O ILE A 52 -5.760 -10.443 5.931 1.00 4.32 O ATOM 862 CB ILE A 52 -7.898 -10.454 3.834 1.00 65.55 C ATOM 863 CG1 ILE A 52 -8.812 -11.077 2.728 1.00 53.22 C ATOM 864 CG2 ILE A 52 -7.982 -8.896 3.820 1.00 41.42 C ATOM 865 CD1 ILE A 52 -10.296 -10.744 2.839 1.00 42.14 C ATOM 0 H ILE A 52 -7.057 -12.880 4.205 1.00 50.54 H new ATOM 0 HA ILE A 52 -6.102 -10.632 2.659 1.00 35.41 H new ATOM 0 HB ILE A 52 -8.255 -10.788 4.808 1.00 65.55 H new ATOM 0 HG12 ILE A 52 -8.454 -10.742 1.754 1.00 53.22 H new ATOM 0 HG13 ILE A 52 -8.698 -12.161 2.754 1.00 53.22 H new ATOM 0 HG21 ILE A 52 -9.019 -8.586 3.946 1.00 41.42 H new ATOM 0 HG22 ILE A 52 -7.381 -8.492 4.635 1.00 41.42 H new ATOM 0 HG23 ILE A 52 -7.604 -8.520 2.869 1.00 41.42 H new ATOM 0 HD11 ILE A 52 -10.839 -11.225 2.025 1.00 42.14 H new ATOM 0 HD12 ILE A 52 -10.679 -11.105 3.794 1.00 42.14 H new ATOM 0 HD13 ILE A 52 -10.432 -9.664 2.778 1.00 42.14 H new ATOM 877 N LEU A 53 -4.401 -9.747 4.265 1.00 72.21 N ATOM 878 CA LEU A 53 -3.390 -9.106 5.105 1.00 70.04 C ATOM 879 C LEU A 53 -3.786 -7.641 5.372 1.00 51.33 C ATOM 880 O LEU A 53 -4.518 -7.025 4.585 1.00 64.54 O ATOM 881 CB LEU A 53 -2.010 -9.178 4.391 1.00 65.33 C ATOM 882 CG LEU A 53 -1.673 -10.531 3.682 1.00 14.31 C ATOM 883 CD1 LEU A 53 -0.317 -10.454 2.987 1.00 32.52 C ATOM 884 CD2 LEU A 53 -1.742 -11.738 4.644 1.00 30.15 C ATOM 0 H LEU A 53 -4.181 -9.702 3.270 1.00 72.21 H new ATOM 0 HA LEU A 53 -3.322 -9.624 6.061 1.00 70.04 H new ATOM 0 HB2 LEU A 53 -1.966 -8.381 3.649 1.00 65.33 H new ATOM 0 HB3 LEU A 53 -1.232 -8.973 5.126 1.00 65.33 H new ATOM 0 HG LEU A 53 -2.440 -10.695 2.925 1.00 14.31 H new ATOM 0 HD11 LEU A 53 -0.103 -11.406 2.501 1.00 32.52 H new ATOM 0 HD12 LEU A 53 -0.336 -9.661 2.240 1.00 32.52 H new ATOM 0 HD13 LEU A 53 0.458 -10.241 3.723 1.00 32.52 H new ATOM 0 HD21 LEU A 53 -1.499 -12.651 4.100 1.00 30.15 H new ATOM 0 HD22 LEU A 53 -1.027 -11.598 5.455 1.00 30.15 H new ATOM 0 HD23 LEU A 53 -2.748 -11.818 5.056 1.00 30.15 H new ATOM 896 N LYS A 54 -3.281 -7.097 6.483 1.00 51.33 N ATOM 897 CA LYS A 54 -3.538 -5.711 6.910 1.00 71.43 C ATOM 898 C LYS A 54 -2.204 -4.982 7.085 1.00 1.03 C ATOM 899 O LYS A 54 -1.216 -5.604 7.502 1.00 72.34 O ATOM 900 CB LYS A 54 -4.324 -5.714 8.240 1.00 61.35 C ATOM 901 CG LYS A 54 -5.741 -6.336 8.164 1.00 23.24 C ATOM 902 CD LYS A 54 -6.326 -6.650 9.557 1.00 61.12 C ATOM 903 CE LYS A 54 -6.379 -5.429 10.496 1.00 64.42 C ATOM 904 NZ LYS A 54 -6.691 -5.839 11.889 1.00 1.31 N ATOM 0 H LYS A 54 -2.674 -7.610 7.122 1.00 51.33 H new ATOM 0 HA LYS A 54 -4.131 -5.196 6.154 1.00 71.43 H new ATOM 0 HB2 LYS A 54 -3.744 -6.259 8.985 1.00 61.35 H new ATOM 0 HB3 LYS A 54 -4.413 -4.687 8.594 1.00 61.35 H new ATOM 0 HG2 LYS A 54 -6.407 -5.650 7.640 1.00 23.24 H new ATOM 0 HG3 LYS A 54 -5.700 -7.253 7.576 1.00 23.24 H new ATOM 0 HD2 LYS A 54 -7.333 -7.049 9.437 1.00 61.12 H new ATOM 0 HD3 LYS A 54 -5.727 -7.432 10.025 1.00 61.12 H new ATOM 0 HE2 LYS A 54 -5.423 -4.907 10.473 1.00 64.42 H new ATOM 0 HE3 LYS A 54 -7.134 -4.727 10.142 1.00 64.42 H new ATOM 0 HZ1 LYS A 54 -6.721 -4.998 12.500 1.00 1.31 H new ATOM 0 HZ2 LYS A 54 -7.615 -6.316 11.912 1.00 1.31 H new ATOM 0 HZ3 LYS A 54 -5.956 -6.490 12.232 1.00 1.31 H new ATOM 918 N GLY A 55 -2.175 -3.676 6.769 1.00 44.42 N ATOM 919 CA GLY A 55 -0.958 -2.876 6.902 1.00 71.12 C ATOM 920 C GLY A 55 -1.235 -1.389 6.972 1.00 74.52 C ATOM 921 O GLY A 55 -1.995 -0.871 6.160 1.00 35.31 O ATOM 0 H GLY A 55 -2.982 -3.158 6.421 1.00 44.42 H new ATOM 0 HA2 GLY A 55 -0.423 -3.184 7.801 1.00 71.12 H new ATOM 0 HA3 GLY A 55 -0.302 -3.079 6.056 1.00 71.12 H new ATOM 925 N LYS A 56 -0.615 -0.691 7.941 1.00 34.22 N ATOM 926 CA LYS A 56 -0.805 0.760 8.112 1.00 34.40 C ATOM 927 C LYS A 56 0.279 1.523 7.347 1.00 63.35 C ATOM 928 O LYS A 56 1.474 1.252 7.518 1.00 51.31 O ATOM 929 CB LYS A 56 -0.765 1.183 9.602 1.00 74.03 C ATOM 930 CG LYS A 56 -0.985 2.706 9.816 1.00 62.10 C ATOM 931 CD LYS A 56 -0.812 3.162 11.277 1.00 4.02 C ATOM 932 CE LYS A 56 -1.834 2.536 12.238 1.00 72.33 C ATOM 933 NZ LYS A 56 -1.605 2.988 13.637 1.00 14.20 N ATOM 0 H LYS A 56 0.023 -1.110 8.618 1.00 34.22 H new ATOM 0 HA LYS A 56 -1.791 1.004 7.717 1.00 34.40 H new ATOM 0 HB2 LYS A 56 -1.530 0.632 10.149 1.00 74.03 H new ATOM 0 HB3 LYS A 56 0.198 0.899 10.027 1.00 74.03 H new ATOM 0 HG2 LYS A 56 -0.284 3.256 9.188 1.00 62.10 H new ATOM 0 HG3 LYS A 56 -1.988 2.969 9.480 1.00 62.10 H new ATOM 0 HD2 LYS A 56 0.194 2.908 11.612 1.00 4.02 H new ATOM 0 HD3 LYS A 56 -0.899 4.248 11.323 1.00 4.02 H new ATOM 0 HE2 LYS A 56 -2.843 2.806 11.926 1.00 72.33 H new ATOM 0 HE3 LYS A 56 -1.765 1.449 12.188 1.00 72.33 H new ATOM 0 HZ1 LYS A 56 -2.310 2.549 14.263 1.00 14.20 H new ATOM 0 HZ2 LYS A 56 -0.650 2.708 13.940 1.00 14.20 H new ATOM 0 HZ3 LYS A 56 -1.695 4.023 13.686 1.00 14.20 H new ATOM 947 N ILE A 57 -0.153 2.482 6.527 1.00 71.43 N ATOM 948 CA ILE A 57 0.737 3.389 5.801 1.00 10.01 C ATOM 949 C ILE A 57 1.360 4.390 6.786 1.00 54.05 C ATOM 950 O ILE A 57 0.653 5.166 7.421 1.00 72.44 O ATOM 951 CB ILE A 57 -0.050 4.122 4.663 1.00 72.13 C ATOM 952 CG1 ILE A 57 -0.604 3.063 3.662 1.00 34.33 C ATOM 953 CG2 ILE A 57 0.824 5.179 3.949 1.00 55.23 C ATOM 954 CD1 ILE A 57 -1.544 3.598 2.610 1.00 11.32 C ATOM 0 H ILE A 57 -1.142 2.653 6.346 1.00 71.43 H new ATOM 0 HA ILE A 57 1.540 2.820 5.334 1.00 10.01 H new ATOM 0 HB ILE A 57 -0.885 4.666 5.105 1.00 72.13 H new ATOM 0 HG12 ILE A 57 0.238 2.584 3.163 1.00 34.33 H new ATOM 0 HG13 ILE A 57 -1.122 2.289 4.228 1.00 34.33 H new ATOM 0 HG21 ILE A 57 0.241 5.665 3.166 1.00 55.23 H new ATOM 0 HG22 ILE A 57 1.155 5.925 4.671 1.00 55.23 H new ATOM 0 HG23 ILE A 57 1.693 4.693 3.505 1.00 55.23 H new ATOM 0 HD11 ILE A 57 -1.871 2.782 1.966 1.00 11.32 H new ATOM 0 HD12 ILE A 57 -2.411 4.050 3.092 1.00 11.32 H new ATOM 0 HD13 ILE A 57 -1.030 4.349 2.011 1.00 11.32 H new ATOM 966 N VAL A 58 2.688 4.328 6.924 1.00 71.13 N ATOM 967 CA VAL A 58 3.447 5.104 7.931 1.00 22.22 C ATOM 968 C VAL A 58 4.360 6.174 7.282 1.00 22.55 C ATOM 969 O VAL A 58 4.985 6.968 8.002 1.00 53.45 O ATOM 970 CB VAL A 58 4.292 4.129 8.838 1.00 52.15 C ATOM 971 CG1 VAL A 58 3.369 3.257 9.735 1.00 24.11 C ATOM 972 CG2 VAL A 58 5.222 3.245 7.967 1.00 32.13 C ATOM 0 H VAL A 58 3.278 3.736 6.340 1.00 71.13 H new ATOM 0 HA VAL A 58 2.724 5.637 8.549 1.00 22.22 H new ATOM 0 HB VAL A 58 4.916 4.733 9.497 1.00 52.15 H new ATOM 0 HG11 VAL A 58 3.979 2.595 10.349 1.00 24.11 H new ATOM 0 HG12 VAL A 58 2.773 3.903 10.380 1.00 24.11 H new ATOM 0 HG13 VAL A 58 2.707 2.661 9.106 1.00 24.11 H new ATOM 0 HG21 VAL A 58 5.797 2.579 8.610 1.00 32.13 H new ATOM 0 HG22 VAL A 58 4.620 2.653 7.277 1.00 32.13 H new ATOM 0 HG23 VAL A 58 5.903 3.881 7.401 1.00 32.13 H new ATOM 982 N ARG A 59 4.410 6.209 5.932 1.00 21.55 N ATOM 983 CA ARG A 59 5.263 7.164 5.181 1.00 73.35 C ATOM 984 C ARG A 59 4.844 7.210 3.696 1.00 21.44 C ATOM 985 O ARG A 59 4.135 6.322 3.221 1.00 43.04 O ATOM 986 CB ARG A 59 6.769 6.767 5.329 1.00 34.21 C ATOM 987 CG ARG A 59 7.804 7.803 4.815 1.00 43.21 C ATOM 988 CD ARG A 59 7.647 9.200 5.451 1.00 33.21 C ATOM 989 NE ARG A 59 7.665 9.148 6.926 1.00 4.42 N ATOM 990 CZ ARG A 59 7.928 10.177 7.753 1.00 33.01 C ATOM 991 NH1 ARG A 59 8.213 11.392 7.290 1.00 14.13 N ATOM 992 NH2 ARG A 59 7.887 9.977 9.060 1.00 71.40 N ATOM 0 H ARG A 59 3.868 5.584 5.335 1.00 21.55 H new ATOM 0 HA ARG A 59 5.129 8.162 5.597 1.00 73.35 H new ATOM 0 HB2 ARG A 59 6.971 6.575 6.383 1.00 34.21 H new ATOM 0 HB3 ARG A 59 6.930 5.829 4.797 1.00 34.21 H new ATOM 0 HG2 ARG A 59 8.809 7.432 5.017 1.00 43.21 H new ATOM 0 HG3 ARG A 59 7.709 7.893 3.733 1.00 43.21 H new ATOM 0 HD2 ARG A 59 8.451 9.848 5.102 1.00 33.21 H new ATOM 0 HD3 ARG A 59 6.710 9.646 5.117 1.00 33.21 H new ATOM 0 HE ARG A 59 7.459 8.248 7.359 1.00 4.42 H new ATOM 0 HH11 ARG A 59 8.236 11.562 6.285 1.00 14.13 H new ATOM 0 HH12 ARG A 59 8.408 12.153 7.941 1.00 14.13 H new ATOM 0 HH21 ARG A 59 7.659 9.053 9.428 1.00 71.40 H new ATOM 0 HH22 ARG A 59 8.084 10.746 9.700 1.00 71.40 H new ATOM 1006 N VAL A 60 5.254 8.283 2.999 1.00 41.43 N ATOM 1007 CA VAL A 60 5.159 8.393 1.526 1.00 30.44 C ATOM 1008 C VAL A 60 6.456 7.880 0.883 1.00 72.20 C ATOM 1009 O VAL A 60 7.464 7.662 1.570 1.00 24.24 O ATOM 1010 CB VAL A 60 4.906 9.881 1.050 1.00 72.54 C ATOM 1011 CG1 VAL A 60 3.494 10.354 1.428 1.00 74.01 C ATOM 1012 CG2 VAL A 60 5.984 10.847 1.612 1.00 70.23 C ATOM 0 H VAL A 60 5.664 9.106 3.441 1.00 41.43 H new ATOM 0 HA VAL A 60 4.308 7.788 1.213 1.00 30.44 H new ATOM 0 HB VAL A 60 4.984 9.893 -0.037 1.00 72.54 H new ATOM 0 HG11 VAL A 60 3.351 11.380 1.088 1.00 74.01 H new ATOM 0 HG12 VAL A 60 2.755 9.708 0.954 1.00 74.01 H new ATOM 0 HG13 VAL A 60 3.373 10.311 2.510 1.00 74.01 H new ATOM 0 HG21 VAL A 60 5.780 11.860 1.266 1.00 70.23 H new ATOM 0 HG22 VAL A 60 5.961 10.824 2.702 1.00 70.23 H new ATOM 0 HG23 VAL A 60 6.969 10.536 1.264 1.00 70.23 H new ATOM 1022 N HIS A 61 6.426 7.706 -0.438 1.00 45.24 N ATOM 1023 CA HIS A 61 7.576 7.217 -1.203 1.00 5.22 C ATOM 1024 C HIS A 61 7.625 7.917 -2.575 1.00 13.10 C ATOM 1025 O HIS A 61 6.816 7.613 -3.459 1.00 25.55 O ATOM 1026 CB HIS A 61 7.506 5.673 -1.355 1.00 52.54 C ATOM 1027 CG HIS A 61 8.688 5.086 -2.080 1.00 74.15 C ATOM 1028 ND1 HIS A 61 8.623 4.642 -3.380 1.00 3.43 N ATOM 1029 CD2 HIS A 61 9.981 4.932 -1.701 1.00 73.11 C ATOM 1030 CE1 HIS A 61 9.810 4.233 -3.765 1.00 51.24 C ATOM 1031 NE2 HIS A 61 10.653 4.401 -2.770 1.00 74.13 N ATOM 0 H HIS A 61 5.604 7.900 -1.010 1.00 45.24 H new ATOM 0 HA HIS A 61 8.495 7.454 -0.667 1.00 5.22 H new ATOM 0 HB2 HIS A 61 7.436 5.221 -0.365 1.00 52.54 H new ATOM 0 HB3 HIS A 61 6.594 5.410 -1.891 1.00 52.54 H new ATOM 0 HD2 HIS A 61 10.402 5.181 -0.738 1.00 73.11 H new ATOM 0 HE1 HIS A 61 10.053 3.827 -4.736 1.00 51.24 H new ATOM 0 HE2 HIS A 61 11.647 4.173 -2.791 1.00 74.13 H new ATOM 1040 N GLY A 62 8.564 8.871 -2.726 1.00 54.43 N ATOM 1041 CA GLY A 62 8.758 9.606 -3.980 1.00 31.25 C ATOM 1042 C GLY A 62 7.688 10.667 -4.247 1.00 62.23 C ATOM 1043 O GLY A 62 6.721 10.805 -3.491 1.00 61.12 O ATOM 0 H GLY A 62 9.204 9.149 -1.982 1.00 54.43 H new ATOM 0 HA2 GLY A 62 9.736 10.087 -3.961 1.00 31.25 H new ATOM 0 HA3 GLY A 62 8.768 8.897 -4.808 1.00 31.25 H new ATOM 1047 N THR A 63 7.879 11.412 -5.350 1.00 52.31 N ATOM 1048 CA THR A 63 6.944 12.452 -5.827 1.00 70.03 C ATOM 1049 C THR A 63 5.911 11.860 -6.815 1.00 4.12 C ATOM 1050 O THR A 63 5.138 12.594 -7.433 1.00 21.42 O ATOM 1051 CB THR A 63 7.740 13.633 -6.491 1.00 40.25 C ATOM 1052 OG1 THR A 63 8.658 13.122 -7.475 1.00 53.12 O ATOM 1053 CG2 THR A 63 8.526 14.449 -5.449 1.00 25.11 C ATOM 0 H THR A 63 8.700 11.308 -5.946 1.00 52.31 H new ATOM 0 HA THR A 63 6.396 12.841 -4.969 1.00 70.03 H new ATOM 0 HB THR A 63 7.010 14.289 -6.964 1.00 40.25 H new ATOM 0 HG1 THR A 63 9.147 13.866 -7.884 1.00 53.12 H new ATOM 0 HG21 THR A 63 9.063 15.256 -5.948 1.00 25.11 H new ATOM 0 HG22 THR A 63 7.834 14.870 -4.720 1.00 25.11 H new ATOM 0 HG23 THR A 63 9.239 13.800 -4.940 1.00 25.11 H new ATOM 1061 N LYS A 64 5.883 10.511 -6.916 1.00 13.33 N ATOM 1062 CA LYS A 64 4.949 9.771 -7.782 1.00 62.14 C ATOM 1063 C LYS A 64 3.656 9.385 -7.031 1.00 60.25 C ATOM 1064 O LYS A 64 2.851 8.595 -7.544 1.00 73.05 O ATOM 1065 CB LYS A 64 5.665 8.513 -8.379 1.00 73.54 C ATOM 1066 CG LYS A 64 6.663 8.821 -9.521 1.00 44.22 C ATOM 1067 CD LYS A 64 5.985 9.543 -10.719 1.00 73.00 C ATOM 1068 CE LYS A 64 4.829 8.735 -11.346 1.00 34.10 C ATOM 1069 NZ LYS A 64 3.975 9.571 -12.228 1.00 65.14 N ATOM 0 H LYS A 64 6.515 9.905 -6.393 1.00 13.33 H new ATOM 0 HA LYS A 64 4.648 10.423 -8.602 1.00 62.14 H new ATOM 0 HB2 LYS A 64 6.197 8.000 -7.578 1.00 73.54 H new ATOM 0 HB3 LYS A 64 4.908 7.823 -8.752 1.00 73.54 H new ATOM 0 HG2 LYS A 64 7.472 9.442 -9.136 1.00 44.22 H new ATOM 0 HG3 LYS A 64 7.113 7.891 -9.868 1.00 44.22 H new ATOM 0 HD2 LYS A 64 5.604 10.508 -10.384 1.00 73.00 H new ATOM 0 HD3 LYS A 64 6.735 9.744 -11.484 1.00 73.00 H new ATOM 0 HE2 LYS A 64 5.238 7.904 -11.921 1.00 34.10 H new ATOM 0 HE3 LYS A 64 4.218 8.304 -10.553 1.00 34.10 H new ATOM 0 HZ1 LYS A 64 3.467 8.960 -12.900 1.00 65.14 H new ATOM 0 HZ2 LYS A 64 3.288 10.096 -11.650 1.00 65.14 H new ATOM 0 HZ3 LYS A 64 4.571 10.243 -12.753 1.00 65.14 H new ATOM 1083 N GLY A 65 3.449 9.975 -5.835 1.00 41.24 N ATOM 1084 CA GLY A 65 2.228 9.764 -5.050 1.00 53.23 C ATOM 1085 C GLY A 65 2.131 8.389 -4.419 1.00 13.51 C ATOM 1086 O GLY A 65 1.064 8.005 -3.917 1.00 23.45 O ATOM 0 H GLY A 65 4.120 10.604 -5.395 1.00 41.24 H new ATOM 0 HA2 GLY A 65 2.179 10.518 -4.264 1.00 53.23 H new ATOM 0 HA3 GLY A 65 1.363 9.919 -5.694 1.00 53.23 H new ATOM 1090 N ALA A 66 3.255 7.652 -4.443 1.00 34.23 N ATOM 1091 CA ALA A 66 3.358 6.332 -3.828 1.00 51.41 C ATOM 1092 C ALA A 66 3.514 6.479 -2.311 1.00 50.45 C ATOM 1093 O ALA A 66 3.856 7.558 -1.809 1.00 53.11 O ATOM 1094 CB ALA A 66 4.526 5.544 -4.438 1.00 73.43 C ATOM 0 H ALA A 66 4.116 7.963 -4.893 1.00 34.23 H new ATOM 0 HA ALA A 66 2.445 5.771 -4.026 1.00 51.41 H new ATOM 0 HB1 ALA A 66 4.588 4.563 -3.968 1.00 73.43 H new ATOM 0 HB2 ALA A 66 4.364 5.424 -5.509 1.00 73.43 H new ATOM 0 HB3 ALA A 66 5.457 6.086 -4.271 1.00 73.43 H new ATOM 1100 N VAL A 67 3.252 5.382 -1.594 1.00 2.33 N ATOM 1101 CA VAL A 67 3.304 5.325 -0.124 1.00 51.13 C ATOM 1102 C VAL A 67 4.106 4.086 0.343 1.00 61.11 C ATOM 1103 O VAL A 67 4.554 3.268 -0.474 1.00 43.14 O ATOM 1104 CB VAL A 67 1.856 5.324 0.508 1.00 21.12 C ATOM 1105 CG1 VAL A 67 1.154 6.696 0.354 1.00 35.13 C ATOM 1106 CG2 VAL A 67 0.984 4.188 -0.075 1.00 12.22 C ATOM 0 H VAL A 67 2.993 4.493 -2.022 1.00 2.33 H new ATOM 0 HA VAL A 67 3.815 6.222 0.226 1.00 51.13 H new ATOM 0 HB VAL A 67 1.979 5.139 1.575 1.00 21.12 H new ATOM 0 HG11 VAL A 67 0.162 6.649 0.803 1.00 35.13 H new ATOM 0 HG12 VAL A 67 1.743 7.464 0.855 1.00 35.13 H new ATOM 0 HG13 VAL A 67 1.063 6.941 -0.704 1.00 35.13 H new ATOM 0 HG21 VAL A 67 -0.005 4.217 0.382 1.00 12.22 H new ATOM 0 HG22 VAL A 67 0.889 4.319 -1.153 1.00 12.22 H new ATOM 0 HG23 VAL A 67 1.452 3.226 0.134 1.00 12.22 H new ATOM 1116 N ARG A 68 4.252 3.962 1.672 1.00 4.12 N ATOM 1117 CA ARG A 68 5.051 2.922 2.332 1.00 23.21 C ATOM 1118 C ARG A 68 4.250 2.437 3.552 1.00 51.10 C ATOM 1119 O ARG A 68 3.987 3.220 4.477 1.00 11.14 O ATOM 1120 CB ARG A 68 6.447 3.527 2.715 1.00 24.51 C ATOM 1121 CG ARG A 68 7.509 2.528 3.258 1.00 4.24 C ATOM 1122 CD ARG A 68 7.351 2.172 4.754 1.00 61.24 C ATOM 1123 NE ARG A 68 7.602 3.320 5.647 1.00 12.51 N ATOM 1124 CZ ARG A 68 8.780 3.593 6.243 1.00 10.13 C ATOM 1125 NH1 ARG A 68 9.853 2.821 6.042 1.00 72.40 N ATOM 1126 NH2 ARG A 68 8.879 4.631 7.056 1.00 54.52 N ATOM 0 H ARG A 68 3.806 4.599 2.332 1.00 4.12 H new ATOM 0 HA ARG A 68 5.244 2.066 1.686 1.00 23.21 H new ATOM 0 HB2 ARG A 68 6.860 4.019 1.834 1.00 24.51 H new ATOM 0 HB3 ARG A 68 6.289 4.300 3.467 1.00 24.51 H new ATOM 0 HG2 ARG A 68 7.458 1.610 2.672 1.00 4.24 H new ATOM 0 HG3 ARG A 68 8.501 2.952 3.102 1.00 4.24 H new ATOM 0 HD2 ARG A 68 6.343 1.796 4.928 1.00 61.24 H new ATOM 0 HD3 ARG A 68 8.040 1.365 5.005 1.00 61.24 H new ATOM 0 HE ARG A 68 6.825 3.955 5.827 1.00 12.51 H new ATOM 0 HH11 ARG A 68 9.789 2.009 5.428 1.00 72.40 H new ATOM 0 HH12 ARG A 68 10.735 3.044 6.502 1.00 72.40 H new ATOM 0 HH21 ARG A 68 8.066 5.222 7.230 1.00 54.52 H new ATOM 0 HH22 ARG A 68 9.768 4.841 7.509 1.00 54.52 H new ATOM 1140 N ALA A 69 3.856 1.152 3.538 1.00 53.00 N ATOM 1141 CA ALA A 69 3.023 0.539 4.591 1.00 34.22 C ATOM 1142 C ALA A 69 3.777 -0.580 5.325 1.00 1.03 C ATOM 1143 O ALA A 69 4.609 -1.273 4.736 1.00 2.20 O ATOM 1144 CB ALA A 69 1.720 -0.008 3.982 1.00 22.44 C ATOM 0 H ALA A 69 4.107 0.504 2.792 1.00 53.00 H new ATOM 0 HA ALA A 69 2.782 1.312 5.321 1.00 34.22 H new ATOM 0 HB1 ALA A 69 1.112 -0.458 4.767 1.00 22.44 H new ATOM 0 HB2 ALA A 69 1.166 0.807 3.517 1.00 22.44 H new ATOM 0 HB3 ALA A 69 1.958 -0.761 3.230 1.00 22.44 H new ATOM 1150 N ARG A 70 3.493 -0.713 6.629 1.00 62.33 N ATOM 1151 CA ARG A 70 3.936 -1.841 7.461 1.00 10.43 C ATOM 1152 C ARG A 70 2.786 -2.853 7.600 1.00 14.21 C ATOM 1153 O ARG A 70 1.840 -2.620 8.367 1.00 12.41 O ATOM 1154 CB ARG A 70 4.366 -1.351 8.869 1.00 32.40 C ATOM 1155 CG ARG A 70 5.564 -0.386 8.890 1.00 3.15 C ATOM 1156 CD ARG A 70 5.894 0.089 10.316 1.00 42.22 C ATOM 1157 NE ARG A 70 7.090 0.938 10.355 1.00 73.52 N ATOM 1158 CZ ARG A 70 8.028 0.914 11.313 1.00 22.23 C ATOM 1159 NH1 ARG A 70 7.942 0.081 12.346 1.00 3.22 N ATOM 1160 NH2 ARG A 70 9.052 1.733 11.232 1.00 45.45 N ATOM 0 H ARG A 70 2.940 -0.028 7.144 1.00 62.33 H new ATOM 0 HA ARG A 70 4.793 -2.313 6.981 1.00 10.43 H new ATOM 0 HB2 ARG A 70 3.515 -0.859 9.340 1.00 32.40 H new ATOM 0 HB3 ARG A 70 4.610 -2.220 9.480 1.00 32.40 H new ATOM 0 HG2 ARG A 70 6.436 -0.880 8.461 1.00 3.15 H new ATOM 0 HG3 ARG A 70 5.346 0.477 8.261 1.00 3.15 H new ATOM 0 HD2 ARG A 70 5.045 0.642 10.719 1.00 42.22 H new ATOM 0 HD3 ARG A 70 6.045 -0.777 10.960 1.00 42.22 H new ATOM 0 HE ARG A 70 7.219 1.601 9.591 1.00 73.52 H new ATOM 0 HH11 ARG A 70 7.150 -0.558 12.422 1.00 3.22 H new ATOM 0 HH12 ARG A 70 8.668 0.081 13.063 1.00 3.22 H new ATOM 0 HH21 ARG A 70 9.128 2.379 10.446 1.00 45.45 H new ATOM 0 HH22 ARG A 70 9.771 1.723 11.955 1.00 45.45 H new ATOM 1174 N PHE A 71 2.846 -3.940 6.820 1.00 24.44 N ATOM 1175 CA PHE A 71 1.912 -5.067 6.934 1.00 73.05 C ATOM 1176 C PHE A 71 2.267 -5.957 8.137 1.00 25.11 C ATOM 1177 O PHE A 71 3.395 -6.444 8.243 1.00 64.11 O ATOM 1178 CB PHE A 71 1.870 -5.883 5.610 1.00 71.11 C ATOM 1179 CG PHE A 71 0.995 -5.246 4.534 1.00 43.10 C ATOM 1180 CD1 PHE A 71 1.345 -4.024 3.960 1.00 71.50 C ATOM 1181 CD2 PHE A 71 -0.191 -5.857 4.115 1.00 10.22 C ATOM 1182 CE1 PHE A 71 0.540 -3.438 3.010 1.00 74.12 C ATOM 1183 CE2 PHE A 71 -0.992 -5.267 3.161 1.00 4.24 C ATOM 1184 CZ PHE A 71 -0.625 -4.058 2.608 1.00 22.40 C ATOM 0 H PHE A 71 3.547 -4.063 6.089 1.00 24.44 H new ATOM 0 HA PHE A 71 0.913 -4.668 7.108 1.00 73.05 H new ATOM 0 HB2 PHE A 71 2.884 -5.991 5.226 1.00 71.11 H new ATOM 0 HB3 PHE A 71 1.500 -6.886 5.822 1.00 71.11 H new ATOM 0 HD1 PHE A 71 2.257 -3.532 4.264 1.00 71.50 H new ATOM 0 HD2 PHE A 71 -0.483 -6.804 4.545 1.00 10.22 H new ATOM 0 HE1 PHE A 71 0.821 -2.489 2.578 1.00 74.12 H new ATOM 0 HE2 PHE A 71 -1.905 -5.751 2.847 1.00 4.24 H new ATOM 0 HZ PHE A 71 -1.251 -3.596 1.859 1.00 22.40 H new ATOM 1194 N GLU A 72 1.271 -6.148 9.035 1.00 13.11 N ATOM 1195 CA GLU A 72 1.400 -6.978 10.247 1.00 52.30 C ATOM 1196 C GLU A 72 1.692 -8.453 9.884 1.00 60.21 C ATOM 1197 O GLU A 72 2.442 -9.142 10.586 1.00 1.04 O ATOM 1198 CB GLU A 72 0.119 -6.876 11.121 1.00 14.44 C ATOM 1199 CG GLU A 72 -1.185 -7.323 10.424 1.00 43.14 C ATOM 1200 CD GLU A 72 -2.373 -7.463 11.388 1.00 35.14 C ATOM 1201 OE1 GLU A 72 -2.407 -8.448 12.157 1.00 33.14 O ATOM 1202 OE2 GLU A 72 -3.274 -6.593 11.393 1.00 22.14 O ATOM 0 H GLU A 72 0.349 -5.724 8.933 1.00 13.11 H new ATOM 0 HA GLU A 72 2.244 -6.599 10.824 1.00 52.30 H new ATOM 0 HB2 GLU A 72 0.260 -7.481 12.017 1.00 14.44 H new ATOM 0 HB3 GLU A 72 0.002 -5.843 11.449 1.00 14.44 H new ATOM 0 HG2 GLU A 72 -1.439 -6.601 9.648 1.00 43.14 H new ATOM 0 HG3 GLU A 72 -1.014 -8.278 9.928 1.00 43.14 H new ATOM 1209 N LYS A 73 1.085 -8.913 8.777 1.00 11.02 N ATOM 1210 CA LYS A 73 1.259 -10.278 8.262 1.00 31.52 C ATOM 1211 C LYS A 73 2.275 -10.253 7.113 1.00 10.23 C ATOM 1212 O LYS A 73 3.369 -10.810 7.242 1.00 75.42 O ATOM 1213 CB LYS A 73 -0.103 -10.863 7.795 1.00 42.33 C ATOM 1214 CG LYS A 73 -1.196 -10.897 8.888 1.00 53.05 C ATOM 1215 CD LYS A 73 -0.771 -11.719 10.134 1.00 41.21 C ATOM 1216 CE LYS A 73 -1.832 -11.721 11.240 1.00 12.32 C ATOM 1217 NZ LYS A 73 -1.421 -12.570 12.391 1.00 55.52 N ATOM 0 H LYS A 73 0.456 -8.343 8.212 1.00 11.02 H new ATOM 0 HA LYS A 73 1.636 -10.924 9.055 1.00 31.52 H new ATOM 0 HB2 LYS A 73 -0.467 -10.274 6.953 1.00 42.33 H new ATOM 0 HB3 LYS A 73 0.058 -11.877 7.429 1.00 42.33 H new ATOM 0 HG2 LYS A 73 -1.431 -9.877 9.193 1.00 53.05 H new ATOM 0 HG3 LYS A 73 -2.108 -11.323 8.471 1.00 53.05 H new ATOM 0 HD2 LYS A 73 -0.567 -12.746 9.832 1.00 41.21 H new ATOM 0 HD3 LYS A 73 0.159 -11.312 10.531 1.00 41.21 H new ATOM 0 HE2 LYS A 73 -2.003 -10.701 11.583 1.00 12.32 H new ATOM 0 HE3 LYS A 73 -2.777 -12.085 10.838 1.00 12.32 H new ATOM 0 HZ1 LYS A 73 -2.162 -12.548 13.120 1.00 55.52 H new ATOM 0 HZ2 LYS A 73 -1.282 -13.549 12.068 1.00 55.52 H new ATOM 0 HZ3 LYS A 73 -0.532 -12.207 12.790 1.00 55.52 H new ATOM 1231 N GLY A 74 1.895 -9.574 6.007 1.00 61.42 N ATOM 1232 CA GLY A 74 2.778 -9.372 4.853 1.00 52.30 C ATOM 1233 C GLY A 74 3.393 -10.652 4.291 1.00 10.51 C ATOM 1234 O GLY A 74 4.618 -10.758 4.152 1.00 22.20 O ATOM 0 H GLY A 74 0.971 -9.156 5.897 1.00 61.42 H new ATOM 0 HA2 GLY A 74 2.213 -8.878 4.062 1.00 52.30 H new ATOM 0 HA3 GLY A 74 3.582 -8.695 5.141 1.00 52.30 H new ATOM 1238 N LEU A 75 2.525 -11.625 3.992 1.00 53.13 N ATOM 1239 CA LEU A 75 2.916 -12.886 3.355 1.00 12.45 C ATOM 1240 C LEU A 75 3.391 -12.637 1.901 1.00 62.00 C ATOM 1241 O LEU A 75 2.777 -11.836 1.176 1.00 34.45 O ATOM 1242 CB LEU A 75 1.722 -13.885 3.360 1.00 4.33 C ATOM 1243 CG LEU A 75 1.279 -14.422 4.755 1.00 64.13 C ATOM 1244 CD1 LEU A 75 0.066 -15.369 4.624 1.00 42.03 C ATOM 1245 CD2 LEU A 75 2.456 -15.107 5.492 1.00 32.43 C ATOM 0 H LEU A 75 1.526 -11.559 4.187 1.00 53.13 H new ATOM 0 HA LEU A 75 3.741 -13.316 3.923 1.00 12.45 H new ATOM 0 HB2 LEU A 75 0.866 -13.398 2.893 1.00 4.33 H new ATOM 0 HB3 LEU A 75 1.985 -14.737 2.733 1.00 4.33 H new ATOM 0 HG LEU A 75 0.969 -13.569 5.359 1.00 64.13 H new ATOM 0 HD11 LEU A 75 -0.223 -15.729 5.611 1.00 42.03 H new ATOM 0 HD12 LEU A 75 -0.769 -14.831 4.176 1.00 42.03 H new ATOM 0 HD13 LEU A 75 0.332 -16.216 3.992 1.00 42.03 H new ATOM 0 HD21 LEU A 75 2.116 -15.471 6.461 1.00 32.43 H new ATOM 0 HD22 LEU A 75 2.820 -15.945 4.897 1.00 32.43 H new ATOM 0 HD23 LEU A 75 3.262 -14.388 5.637 1.00 32.43 H new ATOM 1257 N PRO A 76 4.511 -13.306 1.469 1.00 61.23 N ATOM 1258 CA PRO A 76 5.070 -13.150 0.102 1.00 63.10 C ATOM 1259 C PRO A 76 4.142 -13.727 -0.997 1.00 23.50 C ATOM 1260 O PRO A 76 3.156 -14.432 -0.713 1.00 33.25 O ATOM 1261 CB PRO A 76 6.413 -13.935 0.185 1.00 52.12 C ATOM 1262 CG PRO A 76 6.183 -14.956 1.263 1.00 64.21 C ATOM 1263 CD PRO A 76 5.319 -14.263 2.288 1.00 62.42 C ATOM 0 HA PRO A 76 5.191 -12.104 -0.180 1.00 63.10 H new ATOM 0 HB2 PRO A 76 6.656 -14.409 -0.766 1.00 52.12 H new ATOM 0 HB3 PRO A 76 7.244 -13.275 0.433 1.00 52.12 H new ATOM 0 HG2 PRO A 76 5.689 -15.843 0.866 1.00 64.21 H new ATOM 0 HG3 PRO A 76 7.125 -15.285 1.701 1.00 64.21 H new ATOM 0 HD2 PRO A 76 4.684 -14.970 2.823 1.00 62.42 H new ATOM 0 HD3 PRO A 76 5.919 -13.745 3.036 1.00 62.42 H new ATOM 1271 N GLY A 77 4.489 -13.426 -2.253 1.00 73.13 N ATOM 1272 CA GLY A 77 3.736 -13.880 -3.421 1.00 0.11 C ATOM 1273 C GLY A 77 4.249 -13.218 -4.687 1.00 45.31 C ATOM 1274 O GLY A 77 4.928 -12.187 -4.620 1.00 73.11 O ATOM 0 H GLY A 77 5.304 -12.858 -2.486 1.00 73.13 H new ATOM 0 HA2 GLY A 77 3.818 -14.963 -3.513 1.00 0.11 H new ATOM 0 HA3 GLY A 77 2.679 -13.651 -3.289 1.00 0.11 H new ATOM 1278 N GLN A 78 3.928 -13.799 -5.854 1.00 43.04 N ATOM 1279 CA GLN A 78 4.329 -13.246 -7.172 1.00 4.32 C ATOM 1280 C GLN A 78 3.216 -12.291 -7.689 1.00 0.11 C ATOM 1281 O GLN A 78 2.924 -12.204 -8.888 1.00 0.01 O ATOM 1282 CB GLN A 78 4.610 -14.425 -8.152 1.00 75.25 C ATOM 1283 CG GLN A 78 5.363 -14.046 -9.453 1.00 55.10 C ATOM 1284 CD GLN A 78 5.585 -15.230 -10.400 1.00 70.45 C ATOM 1285 OE1 GLN A 78 4.781 -16.156 -10.460 1.00 51.35 O ATOM 1286 NE2 GLN A 78 6.675 -15.209 -11.153 1.00 0.45 N ATOM 0 H GLN A 78 3.386 -14.661 -5.918 1.00 43.04 H new ATOM 0 HA GLN A 78 5.245 -12.661 -7.089 1.00 4.32 H new ATOM 0 HB2 GLN A 78 5.190 -15.182 -7.625 1.00 75.25 H new ATOM 0 HB3 GLN A 78 3.659 -14.883 -8.424 1.00 75.25 H new ATOM 0 HG2 GLN A 78 4.800 -13.273 -9.977 1.00 55.10 H new ATOM 0 HG3 GLN A 78 6.329 -13.615 -9.191 1.00 55.10 H new ATOM 0 HE21 GLN A 78 7.327 -14.428 -11.084 1.00 0.45 H new ATOM 0 HE22 GLN A 78 6.862 -15.974 -11.801 1.00 0.45 H new ATOM 1295 N ALA A 79 2.638 -11.525 -6.751 1.00 32.33 N ATOM 1296 CA ALA A 79 1.510 -10.615 -6.994 1.00 0.12 C ATOM 1297 C ALA A 79 2.008 -9.160 -7.133 1.00 60.30 C ATOM 1298 O ALA A 79 1.313 -8.209 -6.753 1.00 14.21 O ATOM 1299 CB ALA A 79 0.468 -10.796 -5.874 1.00 63.23 C ATOM 0 H ALA A 79 2.950 -11.522 -5.780 1.00 32.33 H new ATOM 0 HA ALA A 79 1.023 -10.857 -7.939 1.00 0.12 H new ATOM 0 HB1 ALA A 79 -0.373 -10.124 -6.047 1.00 63.23 H new ATOM 0 HB2 ALA A 79 0.114 -11.827 -5.870 1.00 63.23 H new ATOM 0 HB3 ALA A 79 0.925 -10.565 -4.911 1.00 63.23 H new ATOM 1305 N LEU A 80 3.256 -9.003 -7.631 1.00 65.21 N ATOM 1306 CA LEU A 80 3.800 -7.697 -8.049 1.00 21.31 C ATOM 1307 C LEU A 80 2.940 -7.151 -9.212 1.00 54.11 C ATOM 1308 O LEU A 80 2.980 -7.690 -10.325 1.00 23.21 O ATOM 1309 CB LEU A 80 5.286 -7.833 -8.500 1.00 73.42 C ATOM 1310 CG LEU A 80 6.287 -8.396 -7.444 1.00 61.12 C ATOM 1311 CD1 LEU A 80 7.715 -8.491 -8.019 1.00 10.25 C ATOM 1312 CD2 LEU A 80 6.269 -7.558 -6.153 1.00 74.02 C ATOM 0 H LEU A 80 3.909 -9.777 -7.753 1.00 65.21 H new ATOM 0 HA LEU A 80 3.769 -7.008 -7.205 1.00 21.31 H new ATOM 0 HB2 LEU A 80 5.318 -8.478 -9.378 1.00 73.42 H new ATOM 0 HB3 LEU A 80 5.638 -6.850 -8.814 1.00 73.42 H new ATOM 0 HG LEU A 80 5.961 -9.405 -7.192 1.00 61.12 H new ATOM 0 HD11 LEU A 80 8.388 -8.887 -7.258 1.00 10.25 H new ATOM 0 HD12 LEU A 80 7.715 -9.154 -8.884 1.00 10.25 H new ATOM 0 HD13 LEU A 80 8.052 -7.500 -8.321 1.00 10.25 H new ATOM 0 HD21 LEU A 80 6.977 -7.976 -5.438 1.00 74.02 H new ATOM 0 HD22 LEU A 80 6.550 -6.530 -6.383 1.00 74.02 H new ATOM 0 HD23 LEU A 80 5.267 -7.573 -5.723 1.00 74.02 H new ATOM 1324 N GLY A 81 2.140 -6.115 -8.923 1.00 1.33 N ATOM 1325 CA GLY A 81 1.198 -5.544 -9.894 1.00 61.03 C ATOM 1326 C GLY A 81 -0.259 -5.695 -9.459 1.00 0.34 C ATOM 1327 O GLY A 81 -1.152 -5.074 -10.056 1.00 41.24 O ATOM 0 H GLY A 81 2.128 -5.652 -8.014 1.00 1.33 H new ATOM 0 HA2 GLY A 81 1.423 -4.487 -10.035 1.00 61.03 H new ATOM 0 HA3 GLY A 81 1.337 -6.031 -10.859 1.00 61.03 H new ATOM 1331 N ASP A 82 -0.504 -6.523 -8.421 1.00 1.30 N ATOM 1332 CA ASP A 82 -1.870 -6.803 -7.922 1.00 12.15 C ATOM 1333 C ASP A 82 -2.386 -5.634 -7.065 1.00 64.43 C ATOM 1334 O ASP A 82 -1.607 -4.919 -6.440 1.00 13.33 O ATOM 1335 CB ASP A 82 -1.917 -8.137 -7.121 1.00 44.41 C ATOM 1336 CG ASP A 82 -3.347 -8.554 -6.728 1.00 0.55 C ATOM 1337 OD1 ASP A 82 -4.224 -8.557 -7.617 1.00 64.14 O ATOM 1338 OD2 ASP A 82 -3.613 -8.833 -5.545 1.00 73.30 O ATOM 0 H ASP A 82 0.230 -7.012 -7.909 1.00 1.30 H new ATOM 0 HA ASP A 82 -2.525 -6.911 -8.786 1.00 12.15 H new ATOM 0 HB2 ASP A 82 -1.465 -8.929 -7.718 1.00 44.41 H new ATOM 0 HB3 ASP A 82 -1.314 -8.034 -6.219 1.00 44.41 H new ATOM 1343 N TYR A 83 -3.717 -5.479 -7.029 1.00 64.11 N ATOM 1344 CA TYR A 83 -4.395 -4.314 -6.455 1.00 0.44 C ATOM 1345 C TYR A 83 -4.658 -4.474 -4.950 1.00 32.24 C ATOM 1346 O TYR A 83 -5.103 -5.535 -4.498 1.00 64.12 O ATOM 1347 CB TYR A 83 -5.732 -4.096 -7.202 1.00 14.41 C ATOM 1348 CG TYR A 83 -5.563 -3.854 -8.707 1.00 25.44 C ATOM 1349 CD1 TYR A 83 -5.347 -2.570 -9.201 1.00 31.43 C ATOM 1350 CD2 TYR A 83 -5.600 -4.904 -9.635 1.00 35.34 C ATOM 1351 CE1 TYR A 83 -5.199 -2.332 -10.549 1.00 11.20 C ATOM 1352 CE2 TYR A 83 -5.448 -4.665 -10.991 1.00 51.23 C ATOM 1353 CZ TYR A 83 -5.242 -3.378 -11.441 1.00 71.23 C ATOM 1354 OH TYR A 83 -5.084 -3.137 -12.794 1.00 54.41 O ATOM 0 H TYR A 83 -4.362 -6.174 -7.405 1.00 64.11 H new ATOM 0 HA TYR A 83 -3.742 -3.449 -6.575 1.00 0.44 H new ATOM 0 HB2 TYR A 83 -6.369 -4.968 -7.052 1.00 14.41 H new ATOM 0 HB3 TYR A 83 -6.250 -3.244 -6.762 1.00 14.41 H new ATOM 0 HD1 TYR A 83 -5.294 -1.741 -8.510 1.00 31.43 H new ATOM 0 HD2 TYR A 83 -5.749 -5.915 -9.287 1.00 35.34 H new ATOM 0 HE1 TYR A 83 -5.049 -1.324 -10.906 1.00 11.20 H new ATOM 0 HE2 TYR A 83 -5.491 -5.484 -11.694 1.00 51.23 H new ATOM 0 HH TYR A 83 -5.140 -3.983 -13.286 1.00 54.41 H new ATOM 1364 N VAL A 84 -4.378 -3.398 -4.190 1.00 3.23 N ATOM 1365 CA VAL A 84 -4.732 -3.283 -2.764 1.00 52.41 C ATOM 1366 C VAL A 84 -6.008 -2.417 -2.626 1.00 51.33 C ATOM 1367 O VAL A 84 -6.288 -1.572 -3.492 1.00 55.32 O ATOM 1368 CB VAL A 84 -3.560 -2.642 -1.912 1.00 25.44 C ATOM 1369 CG1 VAL A 84 -2.228 -3.395 -2.089 1.00 41.31 C ATOM 1370 CG2 VAL A 84 -3.352 -1.145 -2.213 1.00 33.03 C ATOM 0 H VAL A 84 -3.895 -2.576 -4.553 1.00 3.23 H new ATOM 0 HA VAL A 84 -4.909 -4.287 -2.378 1.00 52.41 H new ATOM 0 HB VAL A 84 -3.878 -2.737 -0.874 1.00 25.44 H new ATOM 0 HG11 VAL A 84 -1.457 -2.917 -1.485 1.00 41.31 H new ATOM 0 HG12 VAL A 84 -2.350 -4.430 -1.769 1.00 41.31 H new ATOM 0 HG13 VAL A 84 -1.933 -3.372 -3.138 1.00 41.31 H new ATOM 0 HG21 VAL A 84 -2.537 -0.761 -1.600 1.00 33.03 H new ATOM 0 HG22 VAL A 84 -3.105 -1.017 -3.267 1.00 33.03 H new ATOM 0 HG23 VAL A 84 -4.267 -0.598 -1.985 1.00 33.03 H new ATOM 1380 N GLU A 85 -6.790 -2.646 -1.553 1.00 41.15 N ATOM 1381 CA GLU A 85 -7.946 -1.794 -1.196 1.00 60.01 C ATOM 1382 C GLU A 85 -7.634 -1.096 0.138 1.00 32.20 C ATOM 1383 O GLU A 85 -7.633 -1.733 1.194 1.00 0.42 O ATOM 1384 CB GLU A 85 -9.241 -2.643 -1.073 1.00 50.23 C ATOM 1385 CG GLU A 85 -9.558 -3.520 -2.305 1.00 50.12 C ATOM 1386 CD GLU A 85 -10.884 -4.289 -2.172 1.00 54.14 C ATOM 1387 OE1 GLU A 85 -11.014 -5.100 -1.229 1.00 72.21 O ATOM 1388 OE2 GLU A 85 -11.816 -4.060 -2.978 1.00 65.33 O ATOM 0 H GLU A 85 -6.641 -3.424 -0.910 1.00 41.15 H new ATOM 0 HA GLU A 85 -8.113 -1.053 -1.978 1.00 60.01 H new ATOM 0 HB2 GLU A 85 -9.155 -3.287 -0.198 1.00 50.23 H new ATOM 0 HB3 GLU A 85 -10.082 -1.974 -0.894 1.00 50.23 H new ATOM 0 HG2 GLU A 85 -9.598 -2.889 -3.193 1.00 50.12 H new ATOM 0 HG3 GLU A 85 -8.746 -4.231 -2.456 1.00 50.12 H new ATOM 1395 N ILE A 86 -7.389 0.216 0.083 1.00 42.23 N ATOM 1396 CA ILE A 86 -6.961 1.009 1.247 1.00 71.05 C ATOM 1397 C ILE A 86 -8.184 1.687 1.888 1.00 23.35 C ATOM 1398 O ILE A 86 -8.855 2.487 1.241 1.00 61.42 O ATOM 1399 CB ILE A 86 -5.909 2.100 0.829 1.00 34.11 C ATOM 1400 CG1 ILE A 86 -4.695 1.471 0.078 1.00 61.11 C ATOM 1401 CG2 ILE A 86 -5.427 2.872 2.062 1.00 0.31 C ATOM 1402 CD1 ILE A 86 -3.734 2.476 -0.555 1.00 21.51 C ATOM 0 H ILE A 86 -7.481 0.764 -0.772 1.00 42.23 H new ATOM 0 HA ILE A 86 -6.492 0.338 1.967 1.00 71.05 H new ATOM 0 HB ILE A 86 -6.402 2.790 0.144 1.00 34.11 H new ATOM 0 HG12 ILE A 86 -4.137 0.849 0.778 1.00 61.11 H new ATOM 0 HG13 ILE A 86 -5.073 0.811 -0.703 1.00 61.11 H new ATOM 0 HG21 ILE A 86 -4.699 3.624 1.759 1.00 0.31 H new ATOM 0 HG22 ILE A 86 -6.276 3.361 2.540 1.00 0.31 H new ATOM 0 HG23 ILE A 86 -4.963 2.181 2.766 1.00 0.31 H new ATOM 0 HD11 ILE A 86 -2.925 1.942 -1.053 1.00 21.51 H new ATOM 0 HD12 ILE A 86 -4.271 3.083 -1.284 1.00 21.51 H new ATOM 0 HD13 ILE A 86 -3.320 3.121 0.220 1.00 21.51 H new ATOM 1414 N VAL A 87 -8.461 1.369 3.160 1.00 35.14 N ATOM 1415 CA VAL A 87 -9.655 1.861 3.879 1.00 50.01 C ATOM 1416 C VAL A 87 -9.258 2.819 5.038 1.00 71.35 C ATOM 1417 O VAL A 87 -8.238 2.612 5.715 1.00 22.42 O ATOM 1418 CB VAL A 87 -10.501 0.653 4.436 1.00 65.24 C ATOM 1419 CG1 VAL A 87 -11.876 1.124 4.965 1.00 1.52 C ATOM 1420 CG2 VAL A 87 -10.674 -0.455 3.365 1.00 45.13 C ATOM 0 H VAL A 87 -7.866 0.763 3.724 1.00 35.14 H new ATOM 0 HA VAL A 87 -10.265 2.421 3.170 1.00 50.01 H new ATOM 0 HB VAL A 87 -9.948 0.228 5.273 1.00 65.24 H new ATOM 0 HG11 VAL A 87 -12.434 0.267 5.342 1.00 1.52 H new ATOM 0 HG12 VAL A 87 -11.729 1.844 5.770 1.00 1.52 H new ATOM 0 HG13 VAL A 87 -12.435 1.594 4.156 1.00 1.52 H new ATOM 0 HG21 VAL A 87 -11.262 -1.274 3.780 1.00 45.13 H new ATOM 0 HG22 VAL A 87 -11.188 -0.044 2.496 1.00 45.13 H new ATOM 0 HG23 VAL A 87 -9.694 -0.827 3.065 1.00 45.13 H new ATOM 1430 N LEU A 88 -10.082 3.871 5.247 1.00 31.53 N ATOM 1431 CA LEU A 88 -9.918 4.847 6.344 1.00 34.31 C ATOM 1432 C LEU A 88 -10.444 4.293 7.692 1.00 15.12 C ATOM 1433 O LEU A 88 -10.907 3.144 7.782 1.00 22.42 O ATOM 1434 CB LEU A 88 -10.618 6.200 5.980 1.00 74.42 C ATOM 1435 CG LEU A 88 -9.840 7.158 5.015 1.00 32.54 C ATOM 1436 CD1 LEU A 88 -8.454 7.499 5.595 1.00 73.14 C ATOM 1437 CD2 LEU A 88 -9.729 6.589 3.577 1.00 50.12 C ATOM 0 H LEU A 88 -10.887 4.066 4.652 1.00 31.53 H new ATOM 0 HA LEU A 88 -8.851 5.030 6.469 1.00 34.31 H new ATOM 0 HB2 LEU A 88 -11.583 5.973 5.528 1.00 74.42 H new ATOM 0 HB3 LEU A 88 -10.818 6.739 6.906 1.00 74.42 H new ATOM 0 HG LEU A 88 -10.417 8.079 4.936 1.00 32.54 H new ATOM 0 HD11 LEU A 88 -7.928 8.165 4.912 1.00 73.14 H new ATOM 0 HD12 LEU A 88 -8.574 7.991 6.560 1.00 73.14 H new ATOM 0 HD13 LEU A 88 -7.878 6.583 5.724 1.00 73.14 H new ATOM 0 HD21 LEU A 88 -9.181 7.292 2.949 1.00 50.12 H new ATOM 0 HD22 LEU A 88 -9.200 5.636 3.603 1.00 50.12 H new ATOM 0 HD23 LEU A 88 -10.728 6.439 3.167 1.00 50.12 H new