USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 793 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 74 LYS NZ :NH3+ -135:sc= -0.162 (180deg=-2.02!) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0.0906 USER MOD Set 2.1: A 62 SER OG : rot 160:sc= -0.0747 USER MOD Set 2.2: A 64 ASN : amide:sc=-0.00872 X(o=-0.083,f=-0.21) USER MOD Set 3.1: A 63 GLN : amide:sc= 0.29 K(o=0.52,f=-0.31) USER MOD Set 3.2: A 67 ASN : amide:sc= 0.23 K(o=0.52,f=-0.84) USER MOD Set 4.1: A 19 GLN :FLIP amide:sc= -0.617 F(o=-1.3,f=-0.63) USER MOD Set 4.2: A 59 ASN : amide:sc= -0.0159 K(o=-0.63,f=-1.8!) USER MOD Set 5.1: A 30 TYR OH : rot 180:sc= 0.138 USER MOD Set 5.2: A 52 LYS NZ :NH3+ 175:sc= 0.14 (180deg=0) USER MOD Set 6.1: A 24 HIS : no HE2:sc= 0.269 K(o=0.52,f=-1.9) USER MOD Set 6.2: A 25 ASN : amide:sc= 0.246 K(o=0.52,f=-1.7!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -78:sc= 0.814 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00149 K(o=-0.0015,f=-1.4) USER MOD Single : A 16 SER OG : rot -66:sc= 0.13 USER MOD Single : A 17 SER OG : rot 74:sc= 0.529 USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0166) USER MOD Single : A 26 TYR OH : rot 120:sc= 0 USER MOD Single : A 33 THR OG1 : rot 42:sc= 0.0391 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.469 USER MOD Single : A 36 SER OG : rot 160:sc= -0.12 USER MOD Single : A 37 SER OG : rot -163:sc= 0.0218 USER MOD Single : A 38 GLN : amide:sc= -0.0077 X(o=-0.0077,f=-0.0077) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -151:sc= 0 (180deg=-0.76) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0.584 (180deg=0.584) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.493 F(o=-1.2,f=-0.49) USER MOD Single : A 71 ASN : amide:sc= -0.0162 K(o=-0.016,f=-0.8) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= 0.674 (180deg=0.161) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0682) USER MOD Single : A 85 SER OG : rot -148:sc= 0.433 USER MOD Single : A 86 THR OG1 : rot 48:sc= 0.227 USER MOD Single : A 92 THR OG1 : rot 80:sc= 0.742 USER MOD Single : A 93 GLN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -76:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 3.909 4.235 13.268 1.00 44.34 N ATOM 21 CA GLY A 2 4.511 4.051 11.942 1.00 11.21 C ATOM 22 C GLY A 2 3.430 4.206 10.879 1.00 12.12 C ATOM 23 O GLY A 2 2.239 4.066 11.197 1.00 34.14 O ATOM 0 HA2 GLY A 2 5.303 4.783 11.783 1.00 11.21 H new ATOM 0 HA3 GLY A 2 4.970 3.065 11.871 1.00 11.21 H new ATOM 27 N LYS A 3 3.804 4.492 9.616 1.00 61.51 N ATOM 28 CA LYS A 3 2.821 4.911 8.592 1.00 32.11 C ATOM 29 C LYS A 3 2.928 4.051 7.315 1.00 45.11 C ATOM 30 O LYS A 3 4.022 3.681 6.894 1.00 63.02 O ATOM 31 CB LYS A 3 2.986 6.429 8.289 1.00 23.23 C ATOM 32 CG LYS A 3 1.802 7.057 7.505 1.00 11.32 C ATOM 33 CD LYS A 3 1.917 8.595 7.355 1.00 73.32 C ATOM 34 CE LYS A 3 3.224 9.022 6.673 1.00 22.33 C ATOM 35 NZ LYS A 3 3.232 10.461 6.315 1.00 41.24 N ATOM 0 H LYS A 3 4.766 4.442 9.281 1.00 61.51 H new ATOM 0 HA LYS A 3 1.818 4.750 8.987 1.00 32.11 H new ATOM 0 HB2 LYS A 3 3.107 6.964 9.231 1.00 23.23 H new ATOM 0 HB3 LYS A 3 3.903 6.576 7.718 1.00 23.23 H new ATOM 0 HG2 LYS A 3 1.750 6.605 6.515 1.00 11.32 H new ATOM 0 HG3 LYS A 3 0.869 6.817 8.015 1.00 11.32 H new ATOM 0 HD2 LYS A 3 1.071 8.965 6.776 1.00 73.32 H new ATOM 0 HD3 LYS A 3 1.856 9.059 8.340 1.00 73.32 H new ATOM 0 HE2 LYS A 3 4.062 8.811 7.337 1.00 22.33 H new ATOM 0 HE3 LYS A 3 3.372 8.426 5.773 1.00 22.33 H new ATOM 0 HZ1 LYS A 3 4.135 10.700 5.858 1.00 41.24 H new ATOM 0 HZ2 LYS A 3 2.449 10.660 5.660 1.00 41.24 H new ATOM 0 HZ3 LYS A 3 3.118 11.034 7.176 1.00 41.24 H new ATOM 49 N VAL A 4 1.756 3.738 6.719 1.00 44.41 N ATOM 50 CA VAL A 4 1.623 2.891 5.514 1.00 34.13 C ATOM 51 C VAL A 4 0.987 3.714 4.372 1.00 23.30 C ATOM 52 O VAL A 4 0.117 4.545 4.623 1.00 54.12 O ATOM 53 CB VAL A 4 0.709 1.633 5.803 1.00 53.43 C ATOM 54 CG1 VAL A 4 0.683 0.664 4.601 1.00 51.34 C ATOM 55 CG2 VAL A 4 1.127 0.900 7.098 1.00 5.52 C ATOM 0 H VAL A 4 0.859 4.074 7.069 1.00 44.41 H new ATOM 0 HA VAL A 4 2.618 2.548 5.229 1.00 34.13 H new ATOM 0 HB VAL A 4 -0.304 2.006 5.953 1.00 53.43 H new ATOM 0 HG11 VAL A 4 0.045 -0.189 4.835 1.00 51.34 H new ATOM 0 HG12 VAL A 4 0.291 1.181 3.725 1.00 51.34 H new ATOM 0 HG13 VAL A 4 1.694 0.315 4.393 1.00 51.34 H new ATOM 0 HG21 VAL A 4 0.473 0.043 7.258 1.00 5.52 H new ATOM 0 HG22 VAL A 4 2.158 0.558 7.006 1.00 5.52 H new ATOM 0 HG23 VAL A 4 1.045 1.582 7.945 1.00 5.52 H new ATOM 65 N LEU A 5 1.435 3.495 3.125 1.00 64.42 N ATOM 66 CA LEU A 5 0.825 4.105 1.931 1.00 13.00 C ATOM 67 C LEU A 5 -0.060 3.063 1.245 1.00 52.32 C ATOM 68 O LEU A 5 0.447 2.093 0.673 1.00 65.23 O ATOM 69 CB LEU A 5 1.917 4.614 0.951 1.00 10.55 C ATOM 70 CG LEU A 5 1.397 5.358 -0.329 1.00 2.40 C ATOM 71 CD1 LEU A 5 0.562 6.605 0.032 1.00 24.42 C ATOM 72 CD2 LEU A 5 2.559 5.706 -1.290 1.00 53.50 C ATOM 0 H LEU A 5 2.230 2.891 2.916 1.00 64.42 H new ATOM 0 HA LEU A 5 0.223 4.963 2.231 1.00 13.00 H new ATOM 0 HB2 LEU A 5 2.580 5.287 1.494 1.00 10.55 H new ATOM 0 HB3 LEU A 5 2.518 3.762 0.633 1.00 10.55 H new ATOM 0 HG LEU A 5 0.733 4.672 -0.855 1.00 2.40 H new ATOM 0 HD11 LEU A 5 0.221 7.092 -0.882 1.00 24.42 H new ATOM 0 HD12 LEU A 5 -0.301 6.305 0.627 1.00 24.42 H new ATOM 0 HD13 LEU A 5 1.175 7.300 0.606 1.00 24.42 H new ATOM 0 HD21 LEU A 5 2.165 6.221 -2.166 1.00 53.50 H new ATOM 0 HD22 LEU A 5 3.272 6.353 -0.779 1.00 53.50 H new ATOM 0 HD23 LEU A 5 3.060 4.790 -1.602 1.00 53.50 H new ATOM 84 N LEU A 6 -1.376 3.262 1.317 1.00 33.44 N ATOM 85 CA LEU A 6 -2.358 2.380 0.685 1.00 1.10 C ATOM 86 C LEU A 6 -2.522 2.830 -0.780 1.00 43.21 C ATOM 87 O LEU A 6 -3.242 3.792 -1.063 1.00 52.15 O ATOM 88 CB LEU A 6 -3.708 2.452 1.460 1.00 74.10 C ATOM 89 CG LEU A 6 -4.794 1.402 1.055 1.00 15.34 C ATOM 90 CD1 LEU A 6 -4.340 -0.034 1.392 1.00 14.11 C ATOM 91 CD2 LEU A 6 -6.165 1.735 1.692 1.00 43.33 C ATOM 0 H LEU A 6 -1.794 4.045 1.819 1.00 33.44 H new ATOM 0 HA LEU A 6 -2.025 1.342 0.708 1.00 1.10 H new ATOM 0 HB2 LEU A 6 -3.499 2.336 2.523 1.00 74.10 H new ATOM 0 HB3 LEU A 6 -4.128 3.449 1.325 1.00 74.10 H new ATOM 0 HG LEU A 6 -4.919 1.456 -0.026 1.00 15.34 H new ATOM 0 HD11 LEU A 6 -5.117 -0.740 1.098 1.00 14.11 H new ATOM 0 HD12 LEU A 6 -3.421 -0.261 0.852 1.00 14.11 H new ATOM 0 HD13 LEU A 6 -4.161 -0.117 2.464 1.00 14.11 H new ATOM 0 HD21 LEU A 6 -6.898 0.986 1.391 1.00 43.33 H new ATOM 0 HD22 LEU A 6 -6.071 1.735 2.778 1.00 43.33 H new ATOM 0 HD23 LEU A 6 -6.493 2.719 1.356 1.00 43.33 H new ATOM 103 N VAL A 7 -1.809 2.156 -1.693 1.00 54.43 N ATOM 104 CA VAL A 7 -1.786 2.503 -3.119 1.00 34.24 C ATOM 105 C VAL A 7 -2.952 1.790 -3.825 1.00 63.43 C ATOM 106 O VAL A 7 -2.925 0.573 -4.032 1.00 0.42 O ATOM 107 CB VAL A 7 -0.419 2.082 -3.792 1.00 43.34 C ATOM 108 CG1 VAL A 7 -0.386 2.447 -5.297 1.00 2.25 C ATOM 109 CG2 VAL A 7 0.783 2.692 -3.037 1.00 55.13 C ATOM 0 H VAL A 7 -1.229 1.350 -1.460 1.00 54.43 H new ATOM 0 HA VAL A 7 -1.888 3.584 -3.216 1.00 34.24 H new ATOM 0 HB VAL A 7 -0.340 0.997 -3.723 1.00 43.34 H new ATOM 0 HG11 VAL A 7 0.569 2.142 -5.724 1.00 2.25 H new ATOM 0 HG12 VAL A 7 -1.196 1.932 -5.814 1.00 2.25 H new ATOM 0 HG13 VAL A 7 -0.508 3.524 -5.413 1.00 2.25 H new ATOM 0 HG21 VAL A 7 1.710 2.386 -3.521 1.00 55.13 H new ATOM 0 HG22 VAL A 7 0.708 3.779 -3.051 1.00 55.13 H new ATOM 0 HG23 VAL A 7 0.780 2.342 -2.005 1.00 55.13 H new ATOM 119 N ILE A 8 -3.984 2.568 -4.150 1.00 31.02 N ATOM 120 CA ILE A 8 -5.181 2.102 -4.866 1.00 31.33 C ATOM 121 C ILE A 8 -5.172 2.702 -6.280 1.00 52.41 C ATOM 122 O ILE A 8 -4.809 3.871 -6.462 1.00 14.21 O ATOM 123 CB ILE A 8 -6.500 2.539 -4.113 1.00 42.33 C ATOM 124 CG1 ILE A 8 -6.494 2.038 -2.634 1.00 14.52 C ATOM 125 CG2 ILE A 8 -7.763 2.052 -4.860 1.00 5.32 C ATOM 126 CD1 ILE A 8 -7.719 2.417 -1.821 1.00 23.24 C ATOM 0 H ILE A 8 -4.016 3.561 -3.920 1.00 31.02 H new ATOM 0 HA ILE A 8 -5.165 1.013 -4.913 1.00 31.33 H new ATOM 0 HB ILE A 8 -6.526 3.629 -4.098 1.00 42.33 H new ATOM 0 HG12 ILE A 8 -6.399 0.952 -2.635 1.00 14.52 H new ATOM 0 HG13 ILE A 8 -5.609 2.435 -2.136 1.00 14.52 H new ATOM 0 HG21 ILE A 8 -8.653 2.369 -4.316 1.00 5.32 H new ATOM 0 HG22 ILE A 8 -7.780 2.479 -5.863 1.00 5.32 H new ATOM 0 HG23 ILE A 8 -7.748 0.964 -4.929 1.00 5.32 H new ATOM 0 HD11 ILE A 8 -7.620 2.024 -0.809 1.00 23.24 H new ATOM 0 HD12 ILE A 8 -7.808 3.503 -1.781 1.00 23.24 H new ATOM 0 HD13 ILE A 8 -8.610 1.997 -2.288 1.00 23.24 H new ATOM 138 N SER A 9 -5.552 1.894 -7.277 1.00 43.25 N ATOM 139 CA SER A 9 -5.722 2.349 -8.663 1.00 40.41 C ATOM 140 C SER A 9 -6.850 1.542 -9.307 1.00 62.11 C ATOM 141 O SER A 9 -6.989 0.338 -9.045 1.00 21.54 O ATOM 142 CB SER A 9 -4.419 2.171 -9.482 1.00 52.10 C ATOM 143 OG SER A 9 -3.278 2.575 -8.748 1.00 53.12 O ATOM 0 H SER A 9 -5.751 0.902 -7.145 1.00 43.25 H new ATOM 0 HA SER A 9 -5.966 3.411 -8.656 1.00 40.41 H new ATOM 0 HB2 SER A 9 -4.313 1.126 -9.773 1.00 52.10 H new ATOM 0 HB3 SER A 9 -4.485 2.753 -10.401 1.00 52.10 H new ATOM 0 HG SER A 9 -3.216 3.553 -8.752 1.00 53.12 H new ATOM 149 N THR A 10 -7.641 2.216 -10.145 1.00 15.31 N ATOM 150 CA THR A 10 -8.708 1.595 -10.932 1.00 4.14 C ATOM 151 C THR A 10 -8.099 0.603 -11.958 1.00 64.14 C ATOM 152 O THR A 10 -8.667 -0.458 -12.240 1.00 10.24 O ATOM 153 CB THR A 10 -9.527 2.718 -11.649 1.00 24.53 C ATOM 154 OG1 THR A 10 -9.758 3.799 -10.725 1.00 73.54 O ATOM 155 CG2 THR A 10 -10.879 2.221 -12.193 1.00 33.23 C ATOM 0 H THR A 10 -7.557 3.221 -10.298 1.00 15.31 H new ATOM 0 HA THR A 10 -9.377 1.032 -10.281 1.00 4.14 H new ATOM 0 HB THR A 10 -8.938 3.051 -12.504 1.00 24.53 H new ATOM 0 HG1 THR A 10 -10.270 4.506 -11.170 1.00 73.54 H new ATOM 0 HG21 THR A 10 -11.401 3.045 -12.679 1.00 33.23 H new ATOM 0 HG22 THR A 10 -10.709 1.422 -12.915 1.00 33.23 H new ATOM 0 HG23 THR A 10 -11.486 1.843 -11.370 1.00 33.23 H new ATOM 163 N ASP A 11 -6.916 0.976 -12.487 1.00 54.43 N ATOM 164 CA ASP A 11 -6.105 0.130 -13.376 1.00 12.25 C ATOM 165 C ASP A 11 -5.102 -0.681 -12.537 1.00 0.23 C ATOM 166 O ASP A 11 -4.001 -0.203 -12.218 1.00 42.03 O ATOM 167 CB ASP A 11 -5.350 0.992 -14.421 1.00 50.44 C ATOM 168 CG ASP A 11 -6.263 1.689 -15.439 1.00 75.32 C ATOM 169 OD1 ASP A 11 -6.897 2.705 -15.084 1.00 11.53 O ATOM 170 OD2 ASP A 11 -6.353 1.225 -16.601 1.00 74.04 O ATOM 0 H ASP A 11 -6.494 1.887 -12.304 1.00 54.43 H new ATOM 0 HA ASP A 11 -6.767 -0.550 -13.912 1.00 12.25 H new ATOM 0 HB2 ASP A 11 -4.765 1.748 -13.897 1.00 50.44 H new ATOM 0 HB3 ASP A 11 -4.644 0.358 -14.957 1.00 50.44 H new ATOM 175 N THR A 12 -5.499 -1.904 -12.176 1.00 34.44 N ATOM 176 CA THR A 12 -4.670 -2.830 -11.386 1.00 44.12 C ATOM 177 C THR A 12 -3.458 -3.359 -12.212 1.00 23.51 C ATOM 178 O THR A 12 -2.491 -3.897 -11.654 1.00 63.20 O ATOM 179 CB THR A 12 -5.560 -3.988 -10.829 1.00 43.11 C ATOM 180 OG1 THR A 12 -6.711 -3.421 -10.168 1.00 41.53 O ATOM 181 CG2 THR A 12 -4.816 -4.891 -9.830 1.00 51.23 C ATOM 0 H THR A 12 -6.412 -2.286 -12.424 1.00 34.44 H new ATOM 0 HA THR A 12 -4.246 -2.291 -10.539 1.00 44.12 H new ATOM 0 HB THR A 12 -5.849 -4.607 -11.679 1.00 43.11 H new ATOM 0 HG1 THR A 12 -7.275 -4.142 -9.817 1.00 41.53 H new ATOM 0 HG21 THR A 12 -5.487 -5.675 -9.479 1.00 51.23 H new ATOM 0 HG22 THR A 12 -3.954 -5.343 -10.320 1.00 51.23 H new ATOM 0 HG23 THR A 12 -4.480 -4.295 -8.982 1.00 51.23 H new ATOM 189 N ASN A 13 -3.510 -3.157 -13.550 1.00 51.44 N ATOM 190 CA ASN A 13 -2.353 -3.365 -14.450 1.00 33.22 C ATOM 191 C ASN A 13 -1.237 -2.353 -14.130 1.00 51.54 C ATOM 192 O ASN A 13 -0.058 -2.711 -14.122 1.00 43.21 O ATOM 193 CB ASN A 13 -2.762 -3.225 -15.944 1.00 72.12 C ATOM 194 CG ASN A 13 -3.694 -4.330 -16.456 1.00 44.51 C ATOM 195 OD1 ASN A 13 -4.489 -4.903 -15.706 1.00 10.21 O ATOM 196 ND2 ASN A 13 -3.608 -4.635 -17.746 1.00 30.24 N ATOM 0 H ASN A 13 -4.353 -2.846 -14.034 1.00 51.44 H new ATOM 0 HA ASN A 13 -1.988 -4.379 -14.285 1.00 33.22 H new ATOM 0 HB2 ASN A 13 -3.251 -2.261 -16.085 1.00 72.12 H new ATOM 0 HB3 ASN A 13 -1.859 -3.217 -16.555 1.00 72.12 H new ATOM 0 HD21 ASN A 13 -4.208 -5.359 -18.140 1.00 30.24 H new ATOM 0 HD22 ASN A 13 -2.942 -4.145 -18.343 1.00 30.24 H new ATOM 203 N ILE A 14 -1.629 -1.090 -13.841 1.00 71.32 N ATOM 204 CA ILE A 14 -0.674 -0.013 -13.502 1.00 13.31 C ATOM 205 C ILE A 14 -0.080 -0.283 -12.103 1.00 30.14 C ATOM 206 O ILE A 14 1.110 -0.074 -11.884 1.00 15.23 O ATOM 207 CB ILE A 14 -1.353 1.412 -13.582 1.00 65.10 C ATOM 208 CG1 ILE A 14 -1.890 1.696 -15.027 1.00 74.10 C ATOM 209 CG2 ILE A 14 -0.398 2.540 -13.128 1.00 35.31 C ATOM 210 CD1 ILE A 14 -0.836 1.762 -16.128 1.00 24.52 C ATOM 0 H ILE A 14 -2.605 -0.793 -13.836 1.00 71.32 H new ATOM 0 HA ILE A 14 0.133 -0.011 -14.234 1.00 13.31 H new ATOM 0 HB ILE A 14 -2.196 1.401 -12.891 1.00 65.10 H new ATOM 0 HG12 ILE A 14 -2.610 0.919 -15.286 1.00 74.10 H new ATOM 0 HG13 ILE A 14 -2.433 2.641 -15.013 1.00 74.10 H new ATOM 0 HG21 ILE A 14 -0.909 3.500 -13.200 1.00 35.31 H new ATOM 0 HG22 ILE A 14 -0.095 2.367 -12.095 1.00 35.31 H new ATOM 0 HG23 ILE A 14 0.484 2.549 -13.768 1.00 35.31 H new ATOM 0 HD11 ILE A 14 -1.320 1.963 -17.084 1.00 24.52 H new ATOM 0 HD12 ILE A 14 -0.127 2.559 -15.906 1.00 24.52 H new ATOM 0 HD13 ILE A 14 -0.307 0.811 -16.183 1.00 24.52 H new ATOM 222 N ILE A 15 -0.929 -0.812 -11.188 1.00 52.20 N ATOM 223 CA ILE A 15 -0.501 -1.309 -9.859 1.00 62.32 C ATOM 224 C ILE A 15 0.593 -2.386 -10.013 1.00 45.15 C ATOM 225 O ILE A 15 1.610 -2.332 -9.326 1.00 73.42 O ATOM 226 CB ILE A 15 -1.732 -1.889 -9.044 1.00 45.25 C ATOM 227 CG1 ILE A 15 -2.673 -0.733 -8.595 1.00 33.53 C ATOM 228 CG2 ILE A 15 -1.312 -2.773 -7.838 1.00 33.14 C ATOM 229 CD1 ILE A 15 -3.920 -1.162 -7.837 1.00 71.13 C ATOM 0 H ILE A 15 -1.931 -0.906 -11.352 1.00 52.20 H new ATOM 0 HA ILE A 15 -0.090 -0.468 -9.301 1.00 62.32 H new ATOM 0 HB ILE A 15 -2.274 -2.550 -9.720 1.00 45.25 H new ATOM 0 HG12 ILE A 15 -2.104 -0.048 -7.966 1.00 33.53 H new ATOM 0 HG13 ILE A 15 -2.980 -0.174 -9.479 1.00 33.53 H new ATOM 0 HG21 ILE A 15 -2.203 -3.136 -7.326 1.00 33.14 H new ATOM 0 HG22 ILE A 15 -0.727 -3.621 -8.195 1.00 33.14 H new ATOM 0 HG23 ILE A 15 -0.711 -2.183 -7.146 1.00 33.14 H new ATOM 0 HD11 ILE A 15 -4.505 -0.282 -7.571 1.00 71.13 H new ATOM 0 HD12 ILE A 15 -4.520 -1.820 -8.466 1.00 71.13 H new ATOM 0 HD13 ILE A 15 -3.630 -1.692 -6.930 1.00 71.13 H new ATOM 241 N SER A 16 0.374 -3.326 -10.956 1.00 4.33 N ATOM 242 CA SER A 16 1.291 -4.451 -11.206 1.00 21.33 C ATOM 243 C SER A 16 2.637 -3.964 -11.790 1.00 74.24 C ATOM 244 O SER A 16 3.698 -4.416 -11.363 1.00 22.31 O ATOM 245 CB SER A 16 0.624 -5.481 -12.153 1.00 64.51 C ATOM 246 OG SER A 16 1.404 -6.664 -12.268 1.00 74.35 O ATOM 0 H SER A 16 -0.445 -3.324 -11.564 1.00 4.33 H new ATOM 0 HA SER A 16 1.503 -4.934 -10.252 1.00 21.33 H new ATOM 0 HB2 SER A 16 -0.368 -5.733 -11.778 1.00 64.51 H new ATOM 0 HB3 SER A 16 0.488 -5.036 -13.139 1.00 64.51 H new ATOM 0 HG SER A 16 2.251 -6.455 -12.714 1.00 74.35 H new ATOM 252 N SER A 17 2.571 -3.020 -12.746 1.00 1.41 N ATOM 253 CA SER A 17 3.759 -2.465 -13.424 1.00 54.23 C ATOM 254 C SER A 17 4.672 -1.679 -12.445 1.00 11.14 C ATOM 255 O SER A 17 5.898 -1.889 -12.412 1.00 13.00 O ATOM 256 CB SER A 17 3.298 -1.563 -14.589 1.00 33.22 C ATOM 257 OG SER A 17 2.519 -2.280 -15.539 1.00 60.02 O ATOM 0 H SER A 17 1.691 -2.619 -13.072 1.00 1.41 H new ATOM 0 HA SER A 17 4.355 -3.291 -13.812 1.00 54.23 H new ATOM 0 HB2 SER A 17 2.714 -0.731 -14.195 1.00 33.22 H new ATOM 0 HB3 SER A 17 4.170 -1.135 -15.084 1.00 33.22 H new ATOM 0 HG SER A 17 1.631 -2.460 -15.165 1.00 60.02 H new ATOM 263 N VAL A 18 4.050 -0.799 -11.645 1.00 63.30 N ATOM 264 CA VAL A 18 4.746 0.018 -10.631 1.00 33.31 C ATOM 265 C VAL A 18 5.296 -0.880 -9.500 1.00 53.12 C ATOM 266 O VAL A 18 6.382 -0.623 -8.968 1.00 44.55 O ATOM 267 CB VAL A 18 3.781 1.116 -10.052 1.00 24.10 C ATOM 268 CG1 VAL A 18 4.425 1.910 -8.892 1.00 2.40 C ATOM 269 CG2 VAL A 18 3.300 2.062 -11.178 1.00 44.23 C ATOM 0 H VAL A 18 3.045 -0.631 -11.681 1.00 63.30 H new ATOM 0 HA VAL A 18 5.587 0.521 -11.108 1.00 33.31 H new ATOM 0 HB VAL A 18 2.915 0.602 -9.636 1.00 24.10 H new ATOM 0 HG11 VAL A 18 3.720 2.656 -8.526 1.00 2.40 H new ATOM 0 HG12 VAL A 18 4.683 1.227 -8.083 1.00 2.40 H new ATOM 0 HG13 VAL A 18 5.327 2.408 -9.248 1.00 2.40 H new ATOM 0 HG21 VAL A 18 2.633 2.816 -10.760 1.00 44.23 H new ATOM 0 HG22 VAL A 18 4.160 2.552 -11.634 1.00 44.23 H new ATOM 0 HG23 VAL A 18 2.767 1.486 -11.935 1.00 44.23 H new ATOM 279 N GLN A 19 4.531 -1.942 -9.175 1.00 72.23 N ATOM 280 CA GLN A 19 4.919 -2.969 -8.186 1.00 62.01 C ATOM 281 C GLN A 19 6.255 -3.625 -8.577 1.00 42.02 C ATOM 282 O GLN A 19 7.203 -3.601 -7.801 1.00 42.21 O ATOM 283 CB GLN A 19 3.818 -4.054 -8.098 1.00 21.21 C ATOM 284 CG GLN A 19 4.107 -5.226 -7.134 1.00 43.25 C ATOM 285 CD GLN A 19 3.290 -6.491 -7.432 1.00 21.24 C ATOM 286 OE1 GLN A 19 2.073 -6.341 -7.950 1.00 42.05 O flip ATOM 287 NE2 GLN A 19 3.747 -7.605 -7.180 1.00 60.54 N flip ATOM 0 H GLN A 19 3.618 -2.113 -9.596 1.00 72.23 H new ATOM 0 HA GLN A 19 5.037 -2.486 -7.216 1.00 62.01 H new ATOM 0 HB2 GLN A 19 2.887 -3.577 -7.791 1.00 21.21 H new ATOM 0 HB3 GLN A 19 3.654 -4.461 -9.096 1.00 21.21 H new ATOM 0 HG2 GLN A 19 5.168 -5.471 -7.183 1.00 43.25 H new ATOM 0 HG3 GLN A 19 3.901 -4.904 -6.113 1.00 43.25 H new ATOM 0 HE21 GLN A 19 4.682 -7.695 -6.783 1.00 60.54 H new ATOM 0 HE22 GLN A 19 3.191 -8.439 -7.368 1.00 60.54 H new ATOM 296 N GLU A 20 6.302 -4.169 -9.815 1.00 24.13 N ATOM 297 CA GLU A 20 7.465 -4.921 -10.348 1.00 35.12 C ATOM 298 C GLU A 20 8.704 -4.019 -10.523 1.00 53.00 C ATOM 299 O GLU A 20 9.841 -4.483 -10.365 1.00 41.35 O ATOM 300 CB GLU A 20 7.076 -5.586 -11.697 1.00 21.23 C ATOM 301 CG GLU A 20 5.983 -6.679 -11.575 1.00 22.24 C ATOM 302 CD GLU A 20 5.429 -7.145 -12.934 1.00 41.11 C ATOM 303 OE1 GLU A 20 6.070 -7.994 -13.596 1.00 34.31 O ATOM 304 OE2 GLU A 20 4.350 -6.664 -13.349 1.00 74.44 O ATOM 0 H GLU A 20 5.530 -4.099 -10.478 1.00 24.13 H new ATOM 0 HA GLU A 20 7.733 -5.691 -9.625 1.00 35.12 H new ATOM 0 HB2 GLU A 20 6.727 -4.814 -12.382 1.00 21.23 H new ATOM 0 HB3 GLU A 20 7.968 -6.028 -12.142 1.00 21.23 H new ATOM 0 HG2 GLU A 20 6.396 -7.538 -11.046 1.00 22.24 H new ATOM 0 HG3 GLU A 20 5.162 -6.295 -10.969 1.00 22.24 H new ATOM 311 N ARG A 21 8.471 -2.727 -10.840 1.00 2.32 N ATOM 312 CA ARG A 21 9.542 -1.721 -10.915 1.00 63.05 C ATOM 313 C ARG A 21 10.092 -1.431 -9.507 1.00 14.51 C ATOM 314 O ARG A 21 11.300 -1.333 -9.319 1.00 54.21 O ATOM 315 CB ARG A 21 9.036 -0.422 -11.600 1.00 32.02 C ATOM 316 CG ARG A 21 10.025 0.773 -11.533 1.00 64.21 C ATOM 317 CD ARG A 21 9.731 1.876 -12.567 1.00 44.42 C ATOM 318 NE ARG A 21 8.333 2.342 -12.526 1.00 5.55 N ATOM 319 CZ ARG A 21 7.502 2.386 -13.579 1.00 70.02 C ATOM 320 NH1 ARG A 21 7.902 1.984 -14.785 1.00 33.14 N ATOM 321 NH2 ARG A 21 6.273 2.830 -13.408 1.00 72.34 N ATOM 0 H ARG A 21 7.543 -2.359 -11.049 1.00 2.32 H new ATOM 0 HA ARG A 21 10.353 -2.118 -11.526 1.00 63.05 H new ATOM 0 HB2 ARG A 21 8.820 -0.639 -12.646 1.00 32.02 H new ATOM 0 HB3 ARG A 21 8.096 -0.125 -11.135 1.00 32.02 H new ATOM 0 HG2 ARG A 21 9.991 1.206 -10.533 1.00 64.21 H new ATOM 0 HG3 ARG A 21 11.039 0.404 -11.687 1.00 64.21 H new ATOM 0 HD2 ARG A 21 10.396 2.721 -12.388 1.00 44.42 H new ATOM 0 HD3 ARG A 21 9.954 1.500 -13.565 1.00 44.42 H new ATOM 0 HE ARG A 21 7.969 2.656 -11.626 1.00 5.55 H new ATOM 0 HH11 ARG A 21 8.852 1.637 -14.918 1.00 33.14 H new ATOM 0 HH12 ARG A 21 7.258 2.024 -15.575 1.00 33.14 H new ATOM 0 HH21 ARG A 21 5.965 3.134 -12.485 1.00 72.34 H new ATOM 0 HH22 ARG A 21 5.630 2.869 -14.199 1.00 72.34 H new ATOM 335 N ALA A 22 9.187 -1.348 -8.517 1.00 75.13 N ATOM 336 CA ALA A 22 9.556 -1.068 -7.118 1.00 54.32 C ATOM 337 C ALA A 22 10.256 -2.283 -6.466 1.00 10.54 C ATOM 338 O ALA A 22 11.086 -2.113 -5.581 1.00 1.02 O ATOM 339 CB ALA A 22 8.315 -0.645 -6.324 1.00 64.23 C ATOM 0 H ALA A 22 8.185 -1.472 -8.662 1.00 75.13 H new ATOM 0 HA ALA A 22 10.270 -0.245 -7.107 1.00 54.32 H new ATOM 0 HB1 ALA A 22 8.596 -0.440 -5.291 1.00 64.23 H new ATOM 0 HB2 ALA A 22 7.887 0.253 -6.769 1.00 64.23 H new ATOM 0 HB3 ALA A 22 7.578 -1.447 -6.347 1.00 64.23 H new ATOM 345 N LYS A 23 9.904 -3.504 -6.922 1.00 23.41 N ATOM 346 CA LYS A 23 10.570 -4.762 -6.503 1.00 52.13 C ATOM 347 C LYS A 23 11.970 -4.889 -7.145 1.00 4.02 C ATOM 348 O LYS A 23 12.825 -5.615 -6.634 1.00 73.40 O ATOM 349 CB LYS A 23 9.690 -5.990 -6.884 1.00 34.52 C ATOM 350 CG LYS A 23 8.321 -6.049 -6.154 1.00 32.22 C ATOM 351 CD LYS A 23 7.357 -7.108 -6.753 1.00 1.12 C ATOM 352 CE LYS A 23 7.817 -8.559 -6.535 1.00 32.31 C ATOM 353 NZ LYS A 23 7.792 -8.946 -5.098 1.00 14.41 N ATOM 0 H LYS A 23 9.149 -3.648 -7.592 1.00 23.41 H new ATOM 0 HA LYS A 23 10.694 -4.736 -5.420 1.00 52.13 H new ATOM 0 HB2 LYS A 23 9.514 -5.976 -7.960 1.00 34.52 H new ATOM 0 HB3 LYS A 23 10.245 -6.902 -6.664 1.00 34.52 H new ATOM 0 HG2 LYS A 23 8.487 -6.272 -5.100 1.00 32.22 H new ATOM 0 HG3 LYS A 23 7.848 -5.068 -6.201 1.00 32.22 H new ATOM 0 HD2 LYS A 23 6.370 -6.979 -6.310 1.00 1.12 H new ATOM 0 HD3 LYS A 23 7.252 -6.927 -7.823 1.00 1.12 H new ATOM 0 HE2 LYS A 23 7.173 -9.232 -7.102 1.00 32.31 H new ATOM 0 HE3 LYS A 23 8.828 -8.681 -6.925 1.00 32.31 H new ATOM 0 HZ1 LYS A 23 8.028 -9.955 -5.006 1.00 14.41 H new ATOM 0 HZ2 LYS A 23 8.488 -8.379 -4.574 1.00 14.41 H new ATOM 0 HZ3 LYS A 23 6.843 -8.775 -4.709 1.00 14.41 H new ATOM 367 N HIS A 24 12.176 -4.216 -8.291 1.00 73.32 N ATOM 368 CA HIS A 24 13.497 -4.122 -8.946 1.00 22.02 C ATOM 369 C HIS A 24 14.370 -3.042 -8.265 1.00 40.43 C ATOM 370 O HIS A 24 15.582 -3.225 -8.089 1.00 41.04 O ATOM 371 CB HIS A 24 13.314 -3.805 -10.457 1.00 62.43 C ATOM 372 CG HIS A 24 14.603 -3.616 -11.220 1.00 41.42 C ATOM 373 ND1 HIS A 24 15.137 -2.374 -11.505 1.00 54.24 N ATOM 374 CD2 HIS A 24 15.471 -4.518 -11.739 1.00 20.55 C ATOM 375 CE1 HIS A 24 16.269 -2.522 -12.163 1.00 62.25 C ATOM 376 NE2 HIS A 24 16.493 -3.808 -12.317 1.00 42.40 N ATOM 0 H HIS A 24 11.435 -3.723 -8.789 1.00 73.32 H new ATOM 0 HA HIS A 24 14.008 -5.080 -8.845 1.00 22.02 H new ATOM 0 HB2 HIS A 24 12.749 -4.615 -10.919 1.00 62.43 H new ATOM 0 HB3 HIS A 24 12.713 -2.901 -10.555 1.00 62.43 H new ATOM 0 HD1 HIS A 24 14.719 -1.480 -11.246 1.00 54.24 H new ATOM 0 HD2 HIS A 24 15.376 -5.593 -11.704 1.00 20.55 H new ATOM 0 HE1 HIS A 24 16.904 -1.723 -12.516 1.00 62.25 H new ATOM 385 N ASN A 25 13.728 -1.926 -7.885 1.00 53.52 N ATOM 386 CA ASN A 25 14.403 -0.727 -7.336 1.00 52.40 C ATOM 387 C ASN A 25 14.580 -0.819 -5.806 1.00 14.15 C ATOM 388 O ASN A 25 15.341 -0.042 -5.231 1.00 55.52 O ATOM 389 CB ASN A 25 13.594 0.554 -7.721 1.00 22.41 C ATOM 390 CG ASN A 25 13.582 0.866 -9.234 1.00 43.00 C ATOM 391 OD1 ASN A 25 13.729 -0.023 -10.079 1.00 63.45 O ATOM 392 ND2 ASN A 25 13.382 2.129 -9.594 1.00 51.14 N ATOM 0 H ASN A 25 12.715 -1.824 -7.949 1.00 53.52 H new ATOM 0 HA ASN A 25 15.401 -0.669 -7.771 1.00 52.40 H new ATOM 0 HB2 ASN A 25 12.566 0.437 -7.378 1.00 22.41 H new ATOM 0 HB3 ASN A 25 14.013 1.408 -7.189 1.00 22.41 H new ATOM 0 HD21 ASN A 25 13.348 2.378 -10.582 1.00 51.14 H new ATOM 0 HD22 ASN A 25 13.263 2.849 -8.882 1.00 51.14 H new ATOM 399 N TYR A 26 13.868 -1.760 -5.158 1.00 74.41 N ATOM 400 CA TYR A 26 13.924 -1.990 -3.691 1.00 31.11 C ATOM 401 C TYR A 26 13.972 -3.506 -3.408 1.00 23.21 C ATOM 402 O TYR A 26 13.640 -4.292 -4.297 1.00 53.20 O ATOM 403 CB TYR A 26 12.684 -1.339 -2.999 1.00 40.15 C ATOM 404 CG TYR A 26 12.653 0.188 -3.110 1.00 4.42 C ATOM 405 CD1 TYR A 26 13.630 0.955 -2.472 1.00 4.13 C ATOM 406 CD2 TYR A 26 11.675 0.862 -3.853 1.00 2.03 C ATOM 407 CE1 TYR A 26 13.635 2.327 -2.567 1.00 1.34 C ATOM 408 CE2 TYR A 26 11.679 2.242 -3.947 1.00 31.25 C ATOM 409 CZ TYR A 26 12.662 2.965 -3.302 1.00 33.34 C ATOM 410 OH TYR A 26 12.664 4.332 -3.373 1.00 30.33 O ATOM 0 H TYR A 26 13.228 -2.393 -5.639 1.00 74.41 H new ATOM 0 HA TYR A 26 14.824 -1.528 -3.285 1.00 31.11 H new ATOM 0 HB2 TYR A 26 11.775 -1.746 -3.443 1.00 40.15 H new ATOM 0 HB3 TYR A 26 12.677 -1.619 -1.946 1.00 40.15 H new ATOM 0 HD1 TYR A 26 14.396 0.461 -1.893 1.00 4.13 H new ATOM 0 HD2 TYR A 26 10.907 0.296 -4.360 1.00 2.03 H new ATOM 0 HE1 TYR A 26 14.400 2.902 -2.066 1.00 1.34 H new ATOM 0 HE2 TYR A 26 10.918 2.750 -4.521 1.00 31.25 H new ATOM 0 HH TYR A 26 12.758 4.611 -4.308 1.00 30.33 H new ATOM 420 N PRO A 27 14.379 -3.954 -2.171 1.00 4.45 N ATOM 421 CA PRO A 27 14.356 -5.400 -1.776 1.00 70.32 C ATOM 422 C PRO A 27 12.932 -5.960 -1.509 1.00 72.32 C ATOM 423 O PRO A 27 12.778 -6.874 -0.682 1.00 2.51 O ATOM 424 CB PRO A 27 15.219 -5.406 -0.478 1.00 34.23 C ATOM 425 CG PRO A 27 15.038 -4.040 0.108 1.00 54.00 C ATOM 426 CD PRO A 27 14.946 -3.101 -1.075 1.00 53.45 C ATOM 0 HA PRO A 27 14.729 -6.044 -2.572 1.00 70.32 H new ATOM 0 HB2 PRO A 27 14.887 -6.180 0.214 1.00 34.23 H new ATOM 0 HB3 PRO A 27 16.267 -5.605 -0.701 1.00 34.23 H new ATOM 0 HG2 PRO A 27 14.136 -3.991 0.719 1.00 54.00 H new ATOM 0 HG3 PRO A 27 15.875 -3.776 0.754 1.00 54.00 H new ATOM 0 HD2 PRO A 27 14.302 -2.248 -0.859 1.00 53.45 H new ATOM 0 HD3 PRO A 27 15.924 -2.702 -1.345 1.00 53.45 H new ATOM 434 N GLY A 28 11.913 -5.466 -2.262 1.00 13.54 N ATOM 435 CA GLY A 28 10.505 -5.731 -1.963 1.00 34.31 C ATOM 436 C GLY A 28 10.168 -5.288 -0.547 1.00 44.05 C ATOM 437 O GLY A 28 10.542 -4.170 -0.173 1.00 71.21 O ATOM 0 H GLY A 28 12.057 -4.879 -3.084 1.00 13.54 H new ATOM 0 HA2 GLY A 28 9.870 -5.204 -2.676 1.00 34.31 H new ATOM 0 HA3 GLY A 28 10.297 -6.795 -2.077 1.00 34.31 H new ATOM 441 N ARG A 29 9.459 -6.156 0.212 1.00 10.01 N ATOM 442 CA ARG A 29 9.334 -6.097 1.700 1.00 10.44 C ATOM 443 C ARG A 29 8.536 -4.858 2.173 1.00 30.22 C ATOM 444 O ARG A 29 7.423 -4.983 2.705 1.00 5.52 O ATOM 445 CB ARG A 29 10.749 -6.176 2.351 1.00 64.24 C ATOM 446 CG ARG A 29 10.769 -6.522 3.853 1.00 75.43 C ATOM 447 CD ARG A 29 12.204 -6.605 4.404 1.00 11.42 C ATOM 448 NE ARG A 29 13.048 -7.555 3.653 1.00 23.50 N ATOM 449 CZ ARG A 29 14.384 -7.693 3.813 1.00 75.33 C ATOM 450 NH1 ARG A 29 15.052 -6.944 4.692 1.00 50.32 N ATOM 451 NH2 ARG A 29 15.052 -8.576 3.082 1.00 73.02 N ATOM 0 H ARG A 29 8.944 -6.937 -0.195 1.00 10.01 H new ATOM 0 HA ARG A 29 8.756 -6.960 2.031 1.00 10.44 H new ATOM 0 HB2 ARG A 29 11.335 -6.923 1.816 1.00 64.24 H new ATOM 0 HB3 ARG A 29 11.249 -5.218 2.210 1.00 64.24 H new ATOM 0 HG2 ARG A 29 10.211 -5.767 4.407 1.00 75.43 H new ATOM 0 HG3 ARG A 29 10.263 -7.474 4.013 1.00 75.43 H new ATOM 0 HD2 ARG A 29 12.660 -5.615 4.370 1.00 11.42 H new ATOM 0 HD3 ARG A 29 12.170 -6.905 5.451 1.00 11.42 H new ATOM 0 HE ARG A 29 12.590 -8.151 2.963 1.00 23.50 H new ATOM 0 HH11 ARG A 29 14.555 -6.254 5.256 1.00 50.32 H new ATOM 0 HH12 ARG A 29 16.059 -7.061 4.800 1.00 50.32 H new ATOM 0 HH21 ARG A 29 14.558 -9.151 2.399 1.00 73.02 H new ATOM 0 HH22 ARG A 29 16.059 -8.680 3.203 1.00 73.02 H new ATOM 465 N TYR A 30 9.134 -3.669 1.970 1.00 32.33 N ATOM 466 CA TYR A 30 8.441 -2.364 2.027 1.00 75.53 C ATOM 467 C TYR A 30 7.308 -2.305 0.984 1.00 42.40 C ATOM 468 O TYR A 30 6.343 -1.578 1.156 1.00 15.34 O ATOM 469 CB TYR A 30 9.457 -1.207 1.788 1.00 65.23 C ATOM 470 CG TYR A 30 10.476 -1.027 2.926 1.00 24.13 C ATOM 471 CD1 TYR A 30 11.578 -1.883 3.056 1.00 13.45 C ATOM 472 CD2 TYR A 30 10.318 -0.022 3.885 1.00 1.54 C ATOM 473 CE1 TYR A 30 12.479 -1.741 4.094 1.00 35.03 C ATOM 474 CE2 TYR A 30 11.211 0.122 4.931 1.00 53.54 C ATOM 475 CZ TYR A 30 12.291 -0.738 5.035 1.00 52.25 C ATOM 476 OH TYR A 30 13.170 -0.610 6.096 1.00 25.54 O ATOM 0 H TYR A 30 10.128 -3.585 1.758 1.00 32.33 H new ATOM 0 HA TYR A 30 8.001 -2.248 3.018 1.00 75.53 H new ATOM 0 HB2 TYR A 30 9.995 -1.395 0.859 1.00 65.23 H new ATOM 0 HB3 TYR A 30 8.907 -0.275 1.655 1.00 65.23 H new ATOM 0 HD1 TYR A 30 11.726 -2.669 2.331 1.00 13.45 H new ATOM 0 HD2 TYR A 30 9.481 0.656 3.807 1.00 1.54 H new ATOM 0 HE1 TYR A 30 13.325 -2.407 4.173 1.00 35.03 H new ATOM 0 HE2 TYR A 30 11.067 0.902 5.664 1.00 53.54 H new ATOM 0 HH TYR A 30 12.894 0.143 6.660 1.00 25.54 H new ATOM 486 N ILE A 31 7.449 -3.103 -0.087 1.00 73.32 N ATOM 487 CA ILE A 31 6.420 -3.300 -1.108 1.00 25.13 C ATOM 488 C ILE A 31 5.711 -4.625 -0.774 1.00 62.43 C ATOM 489 O ILE A 31 6.355 -5.682 -0.680 1.00 51.23 O ATOM 490 CB ILE A 31 7.040 -3.348 -2.572 1.00 62.25 C ATOM 491 CG1 ILE A 31 7.607 -1.944 -3.012 1.00 52.32 C ATOM 492 CG2 ILE A 31 6.016 -3.886 -3.620 1.00 4.43 C ATOM 493 CD1 ILE A 31 8.894 -1.484 -2.326 1.00 53.34 C ATOM 0 H ILE A 31 8.299 -3.637 -0.266 1.00 73.32 H new ATOM 0 HA ILE A 31 5.721 -2.464 -1.102 1.00 25.13 H new ATOM 0 HB ILE A 31 7.874 -4.048 -2.535 1.00 62.25 H new ATOM 0 HG12 ILE A 31 7.783 -1.969 -4.087 1.00 52.32 H new ATOM 0 HG13 ILE A 31 6.837 -1.193 -2.832 1.00 52.32 H new ATOM 0 HG21 ILE A 31 6.480 -3.903 -4.606 1.00 4.43 H new ATOM 0 HG22 ILE A 31 5.711 -4.896 -3.345 1.00 4.43 H new ATOM 0 HG23 ILE A 31 5.141 -3.236 -3.641 1.00 4.43 H new ATOM 0 HD11 ILE A 31 9.183 -0.507 -2.712 1.00 53.34 H new ATOM 0 HD12 ILE A 31 8.729 -1.415 -1.251 1.00 53.34 H new ATOM 0 HD13 ILE A 31 9.689 -2.202 -2.525 1.00 53.34 H new ATOM 505 N ARG A 32 4.400 -4.536 -0.551 1.00 44.33 N ATOM 506 CA ARG A 32 3.539 -5.656 -0.152 1.00 1.25 C ATOM 507 C ARG A 32 2.200 -5.505 -0.893 1.00 64.42 C ATOM 508 O ARG A 32 1.700 -4.391 -1.032 1.00 61.43 O ATOM 509 CB ARG A 32 3.337 -5.583 1.392 1.00 11.04 C ATOM 510 CG ARG A 32 2.399 -6.639 2.021 1.00 33.03 C ATOM 511 CD ARG A 32 2.916 -8.081 1.915 1.00 30.24 C ATOM 512 NE ARG A 32 2.097 -9.019 2.719 1.00 15.52 N ATOM 513 CZ ARG A 32 1.180 -9.879 2.234 1.00 5.45 C ATOM 514 NH1 ARG A 32 0.933 -9.957 0.930 1.00 22.11 N ATOM 515 NH2 ARG A 32 0.517 -10.673 3.066 1.00 2.41 N ATOM 0 H ARG A 32 3.890 -3.658 -0.645 1.00 44.33 H new ATOM 0 HA ARG A 32 3.979 -6.621 -0.404 1.00 1.25 H new ATOM 0 HB2 ARG A 32 4.314 -5.670 1.867 1.00 11.04 H new ATOM 0 HB3 ARG A 32 2.950 -4.594 1.638 1.00 11.04 H new ATOM 0 HG2 ARG A 32 2.249 -6.395 3.073 1.00 33.03 H new ATOM 0 HG3 ARG A 32 1.424 -6.578 1.537 1.00 33.03 H new ATOM 0 HD2 ARG A 32 2.908 -8.394 0.871 1.00 30.24 H new ATOM 0 HD3 ARG A 32 3.952 -8.122 2.252 1.00 30.24 H new ATOM 0 HE ARG A 32 2.240 -9.013 3.729 1.00 15.52 H new ATOM 0 HH11 ARG A 32 1.441 -9.360 0.278 1.00 22.11 H new ATOM 0 HH12 ARG A 32 0.235 -10.614 0.582 1.00 22.11 H new ATOM 0 HH21 ARG A 32 0.703 -10.631 4.068 1.00 2.41 H new ATOM 0 HH22 ARG A 32 -0.178 -11.325 2.703 1.00 2.41 H new ATOM 529 N THR A 33 1.633 -6.616 -1.375 1.00 1.31 N ATOM 530 CA THR A 33 0.380 -6.602 -2.148 1.00 12.35 C ATOM 531 C THR A 33 -0.785 -7.164 -1.322 1.00 22.23 C ATOM 532 O THR A 33 -0.701 -8.273 -0.787 1.00 32.51 O ATOM 533 CB THR A 33 0.524 -7.410 -3.483 1.00 34.22 C ATOM 534 OG1 THR A 33 1.063 -8.718 -3.219 1.00 71.43 O ATOM 535 CG2 THR A 33 1.426 -6.690 -4.498 1.00 40.10 C ATOM 0 H THR A 33 2.025 -7.548 -1.243 1.00 1.31 H new ATOM 0 HA THR A 33 0.166 -5.562 -2.395 1.00 12.35 H new ATOM 0 HB THR A 33 -0.474 -7.496 -3.913 1.00 34.22 H new ATOM 0 HG1 THR A 33 0.639 -9.091 -2.418 1.00 71.43 H new ATOM 0 HG21 THR A 33 1.497 -7.286 -5.408 1.00 40.10 H new ATOM 0 HG22 THR A 33 1.001 -5.715 -4.735 1.00 40.10 H new ATOM 0 HG23 THR A 33 2.420 -6.558 -4.072 1.00 40.10 H new ATOM 543 N ALA A 34 -1.860 -6.367 -1.231 1.00 31.54 N ATOM 544 CA ALA A 34 -3.130 -6.781 -0.648 1.00 71.43 C ATOM 545 C ALA A 34 -4.108 -7.064 -1.790 1.00 72.30 C ATOM 546 O ALA A 34 -4.654 -6.139 -2.404 1.00 64.32 O ATOM 547 CB ALA A 34 -3.665 -5.695 0.300 1.00 30.13 C ATOM 0 H ALA A 34 -1.864 -5.404 -1.567 1.00 31.54 H new ATOM 0 HA ALA A 34 -3.000 -7.685 -0.053 1.00 71.43 H new ATOM 0 HB1 ALA A 34 -4.614 -6.020 0.727 1.00 30.13 H new ATOM 0 HB2 ALA A 34 -2.946 -5.525 1.101 1.00 30.13 H new ATOM 0 HB3 ALA A 34 -3.815 -4.769 -0.255 1.00 30.13 H new ATOM 553 N THR A 35 -4.267 -8.349 -2.118 1.00 22.13 N ATOM 554 CA THR A 35 -5.300 -8.814 -3.053 1.00 51.21 C ATOM 555 C THR A 35 -6.528 -9.284 -2.256 1.00 71.24 C ATOM 556 O THR A 35 -7.624 -9.447 -2.810 1.00 15.03 O ATOM 557 CB THR A 35 -4.776 -9.945 -4.002 1.00 4.53 C ATOM 558 OG1 THR A 35 -5.764 -10.219 -5.002 1.00 43.21 O ATOM 559 CG2 THR A 35 -4.415 -11.248 -3.263 1.00 64.41 C ATOM 0 H THR A 35 -3.684 -9.098 -1.744 1.00 22.13 H new ATOM 0 HA THR A 35 -5.580 -7.980 -3.697 1.00 51.21 H new ATOM 0 HB THR A 35 -3.854 -9.578 -4.454 1.00 4.53 H new ATOM 0 HG1 THR A 35 -5.777 -9.490 -5.657 1.00 43.21 H new ATOM 0 HG21 THR A 35 -4.060 -11.987 -3.981 1.00 64.41 H new ATOM 0 HG22 THR A 35 -3.632 -11.047 -2.532 1.00 64.41 H new ATOM 0 HG23 THR A 35 -5.298 -11.633 -2.753 1.00 64.41 H new ATOM 567 N SER A 36 -6.326 -9.475 -0.938 1.00 72.03 N ATOM 568 CA SER A 36 -7.377 -9.841 0.001 1.00 22.31 C ATOM 569 C SER A 36 -7.073 -9.253 1.388 1.00 42.03 C ATOM 570 O SER A 36 -5.946 -8.789 1.674 1.00 14.34 O ATOM 571 CB SER A 36 -7.512 -11.387 0.075 1.00 13.43 C ATOM 572 OG SER A 36 -8.595 -11.784 0.913 1.00 50.40 O ATOM 0 H SER A 36 -5.410 -9.375 -0.500 1.00 72.03 H new ATOM 0 HA SER A 36 -8.325 -9.430 -0.346 1.00 22.31 H new ATOM 0 HB2 SER A 36 -7.663 -11.787 -0.928 1.00 13.43 H new ATOM 0 HB3 SER A 36 -6.584 -11.815 0.453 1.00 13.43 H new ATOM 0 HG SER A 36 -8.857 -12.703 0.696 1.00 50.40 H new ATOM 578 N SER A 37 -8.096 -9.292 2.253 1.00 14.22 N ATOM 579 CA SER A 37 -7.953 -8.945 3.665 1.00 3.41 C ATOM 580 C SER A 37 -7.172 -10.043 4.403 1.00 1.00 C ATOM 581 O SER A 37 -6.688 -9.812 5.508 1.00 11.02 O ATOM 582 CB SER A 37 -9.323 -8.660 4.307 1.00 2.40 C ATOM 583 OG SER A 37 -10.236 -9.726 4.112 1.00 23.45 O ATOM 0 H SER A 37 -9.043 -9.565 1.989 1.00 14.22 H new ATOM 0 HA SER A 37 -7.377 -8.023 3.748 1.00 3.41 H new ATOM 0 HB2 SER A 37 -9.193 -8.486 5.375 1.00 2.40 H new ATOM 0 HB3 SER A 37 -9.738 -7.746 3.883 1.00 2.40 H new ATOM 0 HG SER A 37 -11.147 -9.413 4.289 1.00 23.45 H new ATOM 589 N GLN A 38 -7.019 -11.225 3.751 1.00 54.22 N ATOM 590 CA GLN A 38 -6.081 -12.281 4.181 1.00 60.11 C ATOM 591 C GLN A 38 -4.646 -11.713 4.267 1.00 34.14 C ATOM 592 O GLN A 38 -3.918 -11.975 5.233 1.00 22.42 O ATOM 593 CB GLN A 38 -6.115 -13.482 3.193 1.00 4.11 C ATOM 594 CG GLN A 38 -7.484 -14.182 3.051 1.00 73.23 C ATOM 595 CD GLN A 38 -8.007 -14.786 4.355 1.00 33.22 C ATOM 596 OE1 GLN A 38 -7.714 -15.939 4.687 1.00 2.22 O ATOM 597 NE2 GLN A 38 -8.797 -14.029 5.091 1.00 53.33 N ATOM 0 H GLN A 38 -7.546 -11.467 2.912 1.00 54.22 H new ATOM 0 HA GLN A 38 -6.388 -12.632 5.166 1.00 60.11 H new ATOM 0 HB2 GLN A 38 -5.801 -13.131 2.210 1.00 4.11 H new ATOM 0 HB3 GLN A 38 -5.381 -14.219 3.518 1.00 4.11 H new ATOM 0 HG2 GLN A 38 -8.212 -13.462 2.677 1.00 73.23 H new ATOM 0 HG3 GLN A 38 -7.402 -14.971 2.303 1.00 73.23 H new ATOM 0 HE21 GLN A 38 -9.020 -13.080 4.790 1.00 53.33 H new ATOM 0 HE22 GLN A 38 -9.185 -14.392 5.962 1.00 53.33 H new ATOM 606 N ASP A 39 -4.266 -10.917 3.241 1.00 71.51 N ATOM 607 CA ASP A 39 -2.993 -10.171 3.235 1.00 43.21 C ATOM 608 C ASP A 39 -3.018 -9.064 4.292 1.00 42.43 C ATOM 609 O ASP A 39 -2.108 -8.969 5.100 1.00 30.34 O ATOM 610 CB ASP A 39 -2.716 -9.522 1.855 1.00 1.23 C ATOM 611 CG ASP A 39 -2.643 -10.533 0.713 1.00 33.33 C ATOM 612 OD1 ASP A 39 -1.658 -11.297 0.665 1.00 31.34 O ATOM 613 OD2 ASP A 39 -3.570 -10.582 -0.123 1.00 21.20 O ATOM 0 H ASP A 39 -4.830 -10.777 2.403 1.00 71.51 H new ATOM 0 HA ASP A 39 -2.203 -10.889 3.456 1.00 43.21 H new ATOM 0 HB2 ASP A 39 -3.501 -8.797 1.639 1.00 1.23 H new ATOM 0 HB3 ASP A 39 -1.777 -8.971 1.903 1.00 1.23 H new ATOM 618 N ILE A 40 -4.099 -8.256 4.271 1.00 71.01 N ATOM 619 CA ILE A 40 -4.225 -7.026 5.090 1.00 31.32 C ATOM 620 C ILE A 40 -4.002 -7.289 6.599 1.00 72.35 C ATOM 621 O ILE A 40 -3.204 -6.586 7.234 1.00 14.44 O ATOM 622 CB ILE A 40 -5.613 -6.335 4.821 1.00 23.50 C ATOM 623 CG1 ILE A 40 -5.646 -5.778 3.356 1.00 63.15 C ATOM 624 CG2 ILE A 40 -5.943 -5.242 5.860 1.00 2.20 C ATOM 625 CD1 ILE A 40 -6.956 -5.159 2.913 1.00 3.50 C ATOM 0 H ILE A 40 -4.913 -8.437 3.684 1.00 71.01 H new ATOM 0 HA ILE A 40 -3.431 -6.345 4.784 1.00 31.32 H new ATOM 0 HB ILE A 40 -6.394 -7.088 4.930 1.00 23.50 H new ATOM 0 HG12 ILE A 40 -4.860 -5.030 3.255 1.00 63.15 H new ATOM 0 HG13 ILE A 40 -5.401 -6.591 2.673 1.00 63.15 H new ATOM 0 HG21 ILE A 40 -6.911 -4.799 5.627 1.00 2.20 H new ATOM 0 HG22 ILE A 40 -5.977 -5.685 6.855 1.00 2.20 H new ATOM 0 HG23 ILE A 40 -5.174 -4.470 5.833 1.00 2.20 H new ATOM 0 HD11 ILE A 40 -6.863 -4.808 1.885 1.00 3.50 H new ATOM 0 HD12 ILE A 40 -7.749 -5.904 2.972 1.00 3.50 H new ATOM 0 HD13 ILE A 40 -7.199 -4.318 3.563 1.00 3.50 H new ATOM 637 N ARG A 41 -4.653 -8.342 7.139 1.00 53.52 N ATOM 638 CA ARG A 41 -4.521 -8.711 8.567 1.00 13.43 C ATOM 639 C ARG A 41 -3.049 -9.034 8.920 1.00 10.33 C ATOM 640 O ARG A 41 -2.543 -8.608 9.963 1.00 32.41 O ATOM 641 CB ARG A 41 -5.439 -9.911 8.915 1.00 14.11 C ATOM 642 CG ARG A 41 -6.946 -9.689 8.638 1.00 4.42 C ATOM 643 CD ARG A 41 -7.527 -8.461 9.354 1.00 45.31 C ATOM 644 NE ARG A 41 -7.319 -8.510 10.812 1.00 71.03 N ATOM 645 CZ ARG A 41 -8.276 -8.704 11.738 1.00 13.45 C ATOM 646 NH1 ARG A 41 -9.550 -8.864 11.388 1.00 65.44 N ATOM 647 NH2 ARG A 41 -7.951 -8.682 13.024 1.00 35.23 N ATOM 0 H ARG A 41 -5.275 -8.952 6.609 1.00 53.52 H new ATOM 0 HA ARG A 41 -4.836 -7.855 9.164 1.00 13.43 H new ATOM 0 HB2 ARG A 41 -5.106 -10.780 8.347 1.00 14.11 H new ATOM 0 HB3 ARG A 41 -5.311 -10.152 9.970 1.00 14.11 H new ATOM 0 HG2 ARG A 41 -7.097 -9.579 7.564 1.00 4.42 H new ATOM 0 HG3 ARG A 41 -7.499 -10.576 8.948 1.00 4.42 H new ATOM 0 HD2 ARG A 41 -7.065 -7.558 8.954 1.00 45.31 H new ATOM 0 HD3 ARG A 41 -8.594 -8.393 9.144 1.00 45.31 H new ATOM 0 HE ARG A 41 -6.364 -8.386 11.149 1.00 71.03 H new ATOM 0 HH11 ARG A 41 -9.815 -8.841 10.403 1.00 65.44 H new ATOM 0 HH12 ARG A 41 -10.261 -9.010 12.104 1.00 65.44 H new ATOM 0 HH21 ARG A 41 -6.983 -8.519 13.303 1.00 35.23 H new ATOM 0 HH22 ARG A 41 -8.669 -8.828 13.734 1.00 35.23 H new ATOM 661 N ASP A 42 -2.374 -9.740 7.994 1.00 62.11 N ATOM 662 CA ASP A 42 -0.932 -10.055 8.086 1.00 32.54 C ATOM 663 C ASP A 42 -0.073 -8.761 8.058 1.00 55.25 C ATOM 664 O ASP A 42 0.911 -8.648 8.798 1.00 64.20 O ATOM 665 CB ASP A 42 -0.539 -11.003 6.912 1.00 42.41 C ATOM 666 CG ASP A 42 0.973 -11.282 6.804 1.00 34.41 C ATOM 667 OD1 ASP A 42 1.505 -12.054 7.634 1.00 14.53 O ATOM 668 OD2 ASP A 42 1.635 -10.734 5.887 1.00 14.32 O ATOM 0 H ASP A 42 -2.816 -10.112 7.153 1.00 62.11 H new ATOM 0 HA ASP A 42 -0.738 -10.554 9.035 1.00 32.54 H new ATOM 0 HB2 ASP A 42 -1.064 -11.950 7.034 1.00 42.41 H new ATOM 0 HB3 ASP A 42 -0.884 -10.565 5.975 1.00 42.41 H new ATOM 673 N ILE A 43 -0.495 -7.777 7.228 1.00 1.23 N ATOM 674 CA ILE A 43 0.239 -6.512 7.006 1.00 72.54 C ATOM 675 C ILE A 43 0.253 -5.652 8.287 1.00 63.12 C ATOM 676 O ILE A 43 1.316 -5.230 8.757 1.00 63.53 O ATOM 677 CB ILE A 43 -0.409 -5.707 5.805 1.00 52.41 C ATOM 678 CG1 ILE A 43 -0.289 -6.512 4.468 1.00 21.11 C ATOM 679 CG2 ILE A 43 0.192 -4.292 5.654 1.00 3.24 C ATOM 680 CD1 ILE A 43 -1.036 -5.915 3.281 1.00 3.23 C ATOM 0 H ILE A 43 -1.360 -7.841 6.691 1.00 1.23 H new ATOM 0 HA ILE A 43 1.271 -6.754 6.750 1.00 72.54 H new ATOM 0 HB ILE A 43 -1.466 -5.579 6.039 1.00 52.41 H new ATOM 0 HG12 ILE A 43 0.766 -6.597 4.207 1.00 21.11 H new ATOM 0 HG13 ILE A 43 -0.658 -7.524 4.637 1.00 21.11 H new ATOM 0 HG21 ILE A 43 -0.285 -3.781 4.818 1.00 3.24 H new ATOM 0 HG22 ILE A 43 0.023 -3.725 6.570 1.00 3.24 H new ATOM 0 HG23 ILE A 43 1.263 -4.370 5.468 1.00 3.24 H new ATOM 0 HD11 ILE A 43 -0.890 -6.546 2.404 1.00 3.23 H new ATOM 0 HD12 ILE A 43 -2.099 -5.856 3.513 1.00 3.23 H new ATOM 0 HD13 ILE A 43 -0.653 -4.915 3.076 1.00 3.23 H new ATOM 692 N ILE A 44 -0.943 -5.439 8.856 1.00 64.34 N ATOM 693 CA ILE A 44 -1.155 -4.520 9.988 1.00 40.44 C ATOM 694 C ILE A 44 -0.586 -5.106 11.300 1.00 73.30 C ATOM 695 O ILE A 44 -0.105 -4.352 12.156 1.00 24.03 O ATOM 696 CB ILE A 44 -2.686 -4.150 10.107 1.00 13.35 C ATOM 697 CG1 ILE A 44 -3.171 -3.512 8.755 1.00 21.34 C ATOM 698 CG2 ILE A 44 -2.966 -3.201 11.304 1.00 4.43 C ATOM 699 CD1 ILE A 44 -4.640 -3.151 8.695 1.00 2.04 C ATOM 0 H ILE A 44 -1.796 -5.902 8.543 1.00 64.34 H new ATOM 0 HA ILE A 44 -0.606 -3.597 9.801 1.00 40.44 H new ATOM 0 HB ILE A 44 -3.247 -5.064 10.300 1.00 13.35 H new ATOM 0 HG12 ILE A 44 -2.586 -2.612 8.568 1.00 21.34 H new ATOM 0 HG13 ILE A 44 -2.953 -4.209 7.946 1.00 21.34 H new ATOM 0 HG21 ILE A 44 -4.031 -2.974 11.347 1.00 4.43 H new ATOM 0 HG22 ILE A 44 -2.661 -3.685 12.232 1.00 4.43 H new ATOM 0 HG23 ILE A 44 -2.403 -2.277 11.175 1.00 4.43 H new ATOM 0 HD11 ILE A 44 -4.869 -2.719 7.721 1.00 2.04 H new ATOM 0 HD12 ILE A 44 -5.241 -4.048 8.845 1.00 2.04 H new ATOM 0 HD13 ILE A 44 -4.869 -2.426 9.476 1.00 2.04 H new ATOM 711 N LYS A 45 -0.592 -6.455 11.427 1.00 40.45 N ATOM 712 CA LYS A 45 0.074 -7.147 12.555 1.00 43.13 C ATOM 713 C LYS A 45 1.602 -6.969 12.466 1.00 32.42 C ATOM 714 O LYS A 45 2.262 -6.758 13.487 1.00 32.42 O ATOM 715 CB LYS A 45 -0.285 -8.656 12.605 1.00 22.13 C ATOM 716 CG LYS A 45 -1.735 -8.960 13.032 1.00 74.51 C ATOM 717 CD LYS A 45 -2.035 -10.477 13.040 1.00 24.15 C ATOM 718 CE LYS A 45 -3.496 -10.788 13.387 1.00 10.11 C ATOM 719 NZ LYS A 45 -3.770 -12.250 13.382 1.00 72.12 N ATOM 0 H LYS A 45 -1.049 -7.082 10.765 1.00 40.45 H new ATOM 0 HA LYS A 45 -0.290 -6.691 13.476 1.00 43.13 H new ATOM 0 HB2 LYS A 45 -0.112 -9.089 11.620 1.00 22.13 H new ATOM 0 HB3 LYS A 45 0.395 -9.154 13.296 1.00 22.13 H new ATOM 0 HG2 LYS A 45 -1.913 -8.551 14.027 1.00 74.51 H new ATOM 0 HG3 LYS A 45 -2.425 -8.458 12.353 1.00 74.51 H new ATOM 0 HD2 LYS A 45 -1.801 -10.895 12.061 1.00 24.15 H new ATOM 0 HD3 LYS A 45 -1.382 -10.969 13.761 1.00 24.15 H new ATOM 0 HE2 LYS A 45 -3.731 -10.378 14.370 1.00 10.11 H new ATOM 0 HE3 LYS A 45 -4.152 -10.294 12.671 1.00 10.11 H new ATOM 0 HZ1 LYS A 45 -4.768 -12.417 13.621 1.00 72.12 H new ATOM 0 HZ2 LYS A 45 -3.571 -12.637 12.438 1.00 72.12 H new ATOM 0 HZ3 LYS A 45 -3.163 -12.719 14.084 1.00 72.12 H new ATOM 733 N SER A 46 2.153 -7.022 11.237 1.00 70.33 N ATOM 734 CA SER A 46 3.593 -6.811 10.989 1.00 14.35 C ATOM 735 C SER A 46 3.985 -5.346 11.287 1.00 32.51 C ATOM 736 O SER A 46 5.110 -5.068 11.713 1.00 60.04 O ATOM 737 CB SER A 46 3.926 -7.191 9.525 1.00 53.12 C ATOM 738 OG SER A 46 5.310 -7.072 9.248 1.00 74.41 O ATOM 0 H SER A 46 1.615 -7.211 10.392 1.00 70.33 H new ATOM 0 HA SER A 46 4.172 -7.450 11.656 1.00 14.35 H new ATOM 0 HB2 SER A 46 3.605 -8.215 9.334 1.00 53.12 H new ATOM 0 HB3 SER A 46 3.364 -6.549 8.847 1.00 53.12 H new ATOM 0 HG SER A 46 5.480 -7.322 8.316 1.00 74.41 H new ATOM 744 N MET A 47 3.019 -4.429 11.083 1.00 22.41 N ATOM 745 CA MET A 47 3.176 -2.992 11.387 1.00 73.43 C ATOM 746 C MET A 47 3.061 -2.699 12.897 1.00 25.22 C ATOM 747 O MET A 47 3.299 -1.574 13.321 1.00 12.35 O ATOM 748 CB MET A 47 2.147 -2.147 10.591 1.00 52.31 C ATOM 749 CG MET A 47 2.378 -2.154 9.074 1.00 4.43 C ATOM 750 SD MET A 47 4.050 -1.629 8.609 1.00 44.42 S ATOM 751 CE MET A 47 4.106 0.065 9.200 1.00 1.13 C ATOM 0 H MET A 47 2.103 -4.665 10.701 1.00 22.41 H new ATOM 0 HA MET A 47 4.182 -2.708 11.077 1.00 73.43 H new ATOM 0 HB2 MET A 47 1.145 -2.523 10.798 1.00 52.31 H new ATOM 0 HB3 MET A 47 2.182 -1.118 10.949 1.00 52.31 H new ATOM 0 HG2 MET A 47 2.198 -3.158 8.689 1.00 4.43 H new ATOM 0 HG3 MET A 47 1.651 -1.496 8.598 1.00 4.43 H new ATOM 0 HE1 MET A 47 4.788 0.645 8.578 1.00 1.13 H new ATOM 0 HE2 MET A 47 3.108 0.501 9.149 1.00 1.13 H new ATOM 0 HE3 MET A 47 4.456 0.079 10.232 1.00 1.13 H new ATOM 761 N LYS A 48 2.635 -3.685 13.702 1.00 71.32 N ATOM 762 CA LYS A 48 2.677 -3.565 15.179 1.00 4.34 C ATOM 763 C LYS A 48 4.106 -3.843 15.687 1.00 74.23 C ATOM 764 O LYS A 48 4.546 -3.261 16.685 1.00 13.42 O ATOM 765 CB LYS A 48 1.652 -4.520 15.845 1.00 61.33 C ATOM 766 CG LYS A 48 0.193 -4.294 15.386 1.00 43.41 C ATOM 767 CD LYS A 48 -0.819 -5.234 16.087 1.00 64.01 C ATOM 768 CE LYS A 48 -0.965 -4.957 17.594 1.00 73.00 C ATOM 769 NZ LYS A 48 -1.961 -5.872 18.221 1.00 31.03 N ATOM 0 H LYS A 48 2.259 -4.571 13.364 1.00 71.32 H new ATOM 0 HA LYS A 48 2.401 -2.547 15.455 1.00 4.34 H new ATOM 0 HB2 LYS A 48 1.935 -5.550 15.627 1.00 61.33 H new ATOM 0 HB3 LYS A 48 1.705 -4.397 16.927 1.00 61.33 H new ATOM 0 HG2 LYS A 48 -0.087 -3.259 15.582 1.00 43.41 H new ATOM 0 HG3 LYS A 48 0.131 -4.443 14.308 1.00 43.41 H new ATOM 0 HD2 LYS A 48 -1.793 -5.129 15.609 1.00 64.01 H new ATOM 0 HD3 LYS A 48 -0.504 -6.268 15.944 1.00 64.01 H new ATOM 0 HE2 LYS A 48 0.001 -5.079 18.083 1.00 73.00 H new ATOM 0 HE3 LYS A 48 -1.272 -3.922 17.747 1.00 73.00 H new ATOM 0 HZ1 LYS A 48 -2.036 -5.660 19.236 1.00 31.03 H new ATOM 0 HZ2 LYS A 48 -2.888 -5.738 17.770 1.00 31.03 H new ATOM 0 HZ3 LYS A 48 -1.654 -6.858 18.095 1.00 31.03 H new ATOM 816 N LYS A 52 8.509 2.485 11.051 1.00 62.32 N ATOM 817 CA LYS A 52 8.961 2.722 9.643 1.00 50.34 C ATOM 818 C LYS A 52 7.849 3.159 8.622 1.00 0.11 C ATOM 819 O LYS A 52 6.684 3.328 8.989 1.00 13.11 O ATOM 820 CB LYS A 52 9.750 1.464 9.131 1.00 73.31 C ATOM 821 CG LYS A 52 8.914 0.187 8.816 1.00 61.31 C ATOM 822 CD LYS A 52 9.794 -0.965 8.270 1.00 51.23 C ATOM 823 CE LYS A 52 10.885 -1.417 9.265 1.00 63.54 C ATOM 824 NZ LYS A 52 11.942 -2.236 8.609 1.00 41.01 N ATOM 0 HA LYS A 52 9.611 3.596 9.688 1.00 50.34 H new ATOM 0 HB2 LYS A 52 10.290 1.747 8.228 1.00 73.31 H new ATOM 0 HB3 LYS A 52 10.497 1.204 9.881 1.00 73.31 H new ATOM 0 HG2 LYS A 52 8.404 -0.144 9.721 1.00 61.31 H new ATOM 0 HG3 LYS A 52 8.142 0.430 8.086 1.00 61.31 H new ATOM 0 HD2 LYS A 52 9.158 -1.816 8.026 1.00 51.23 H new ATOM 0 HD3 LYS A 52 10.267 -0.644 7.342 1.00 51.23 H new ATOM 0 HE2 LYS A 52 11.341 -0.540 9.725 1.00 63.54 H new ATOM 0 HE3 LYS A 52 10.426 -1.995 10.067 1.00 63.54 H new ATOM 0 HZ1 LYS A 52 12.695 -2.445 9.295 1.00 41.01 H new ATOM 0 HZ2 LYS A 52 11.528 -3.127 8.267 1.00 41.01 H new ATOM 0 HZ3 LYS A 52 12.342 -1.709 7.807 1.00 41.01 H new ATOM 838 N PRO A 53 8.233 3.485 7.335 1.00 41.32 N ATOM 839 CA PRO A 53 7.274 3.487 6.199 1.00 24.31 C ATOM 840 C PRO A 53 7.007 2.070 5.634 1.00 42.34 C ATOM 841 O PRO A 53 7.890 1.201 5.651 1.00 11.03 O ATOM 842 CB PRO A 53 7.981 4.377 5.151 1.00 32.04 C ATOM 843 CG PRO A 53 9.444 4.186 5.413 1.00 74.52 C ATOM 844 CD PRO A 53 9.568 4.016 6.913 1.00 30.44 C ATOM 0 HA PRO A 53 6.289 3.848 6.494 1.00 24.31 H new ATOM 0 HB2 PRO A 53 7.718 4.078 4.136 1.00 32.04 H new ATOM 0 HB3 PRO A 53 7.692 5.422 5.260 1.00 32.04 H new ATOM 0 HG2 PRO A 53 9.826 3.312 4.886 1.00 74.52 H new ATOM 0 HG3 PRO A 53 10.020 5.044 5.066 1.00 74.52 H new ATOM 0 HD2 PRO A 53 10.371 3.325 7.170 1.00 30.44 H new ATOM 0 HD3 PRO A 53 9.793 4.963 7.404 1.00 30.44 H new ATOM 852 N LEU A 54 5.779 1.854 5.142 1.00 22.44 N ATOM 853 CA LEU A 54 5.406 0.657 4.358 1.00 15.54 C ATOM 854 C LEU A 54 4.583 1.108 3.133 1.00 42.24 C ATOM 855 O LEU A 54 4.067 2.223 3.107 1.00 51.50 O ATOM 856 CB LEU A 54 4.595 -0.350 5.236 1.00 24.13 C ATOM 857 CG LEU A 54 4.538 -1.816 4.691 1.00 25.44 C ATOM 858 CD1 LEU A 54 5.929 -2.476 4.762 1.00 0.13 C ATOM 859 CD2 LEU A 54 3.466 -2.665 5.406 1.00 42.53 C ATOM 0 H LEU A 54 5.007 2.507 5.275 1.00 22.44 H new ATOM 0 HA LEU A 54 6.306 0.142 4.022 1.00 15.54 H new ATOM 0 HB2 LEU A 54 5.030 -0.368 6.235 1.00 24.13 H new ATOM 0 HB3 LEU A 54 3.576 0.022 5.339 1.00 24.13 H new ATOM 0 HG LEU A 54 4.240 -1.765 3.644 1.00 25.44 H new ATOM 0 HD11 LEU A 54 5.868 -3.495 4.379 1.00 0.13 H new ATOM 0 HD12 LEU A 54 6.635 -1.903 4.160 1.00 0.13 H new ATOM 0 HD13 LEU A 54 6.269 -2.498 5.797 1.00 0.13 H new ATOM 0 HD21 LEU A 54 3.465 -3.674 4.993 1.00 42.53 H new ATOM 0 HD22 LEU A 54 3.689 -2.710 6.472 1.00 42.53 H new ATOM 0 HD23 LEU A 54 2.486 -2.212 5.259 1.00 42.53 H new ATOM 871 N VAL A 55 4.447 0.228 2.125 1.00 21.25 N ATOM 872 CA VAL A 55 3.744 0.524 0.856 1.00 33.12 C ATOM 873 C VAL A 55 2.912 -0.716 0.469 1.00 24.42 C ATOM 874 O VAL A 55 3.472 -1.778 0.172 1.00 43.45 O ATOM 875 CB VAL A 55 4.736 0.889 -0.331 1.00 72.53 C ATOM 876 CG1 VAL A 55 3.950 1.222 -1.617 1.00 62.22 C ATOM 877 CG2 VAL A 55 5.705 2.050 0.043 1.00 2.50 C ATOM 0 H VAL A 55 4.824 -0.719 2.165 1.00 21.25 H new ATOM 0 HA VAL A 55 3.112 1.398 1.015 1.00 33.12 H new ATOM 0 HB VAL A 55 5.351 0.009 -0.516 1.00 72.53 H new ATOM 0 HG11 VAL A 55 4.648 1.469 -2.417 1.00 62.22 H new ATOM 0 HG12 VAL A 55 3.352 0.360 -1.911 1.00 62.22 H new ATOM 0 HG13 VAL A 55 3.294 2.073 -1.433 1.00 62.22 H new ATOM 0 HG21 VAL A 55 6.362 2.262 -0.801 1.00 2.50 H new ATOM 0 HG22 VAL A 55 5.127 2.942 0.286 1.00 2.50 H new ATOM 0 HG23 VAL A 55 6.304 1.760 0.906 1.00 2.50 H new ATOM 887 N VAL A 56 1.580 -0.578 0.512 1.00 61.42 N ATOM 888 CA VAL A 56 0.632 -1.666 0.211 1.00 54.21 C ATOM 889 C VAL A 56 -0.117 -1.385 -1.107 1.00 73.43 C ATOM 890 O VAL A 56 -0.987 -0.515 -1.162 1.00 22.21 O ATOM 891 CB VAL A 56 -0.382 -1.873 1.406 1.00 61.35 C ATOM 892 CG1 VAL A 56 -1.501 -2.885 1.057 1.00 4.15 C ATOM 893 CG2 VAL A 56 0.377 -2.313 2.678 1.00 11.34 C ATOM 0 H VAL A 56 1.123 0.300 0.759 1.00 61.42 H new ATOM 0 HA VAL A 56 1.198 -2.589 0.088 1.00 54.21 H new ATOM 0 HB VAL A 56 -0.868 -0.916 1.593 1.00 61.35 H new ATOM 0 HG11 VAL A 56 -2.172 -2.993 1.909 1.00 4.15 H new ATOM 0 HG12 VAL A 56 -2.063 -2.523 0.196 1.00 4.15 H new ATOM 0 HG13 VAL A 56 -1.056 -3.852 0.820 1.00 4.15 H new ATOM 0 HG21 VAL A 56 -0.332 -2.453 3.494 1.00 11.34 H new ATOM 0 HG22 VAL A 56 0.898 -3.251 2.485 1.00 11.34 H new ATOM 0 HG23 VAL A 56 1.101 -1.546 2.953 1.00 11.34 H new ATOM 903 N PHE A 57 0.242 -2.138 -2.158 1.00 54.34 N ATOM 904 CA PHE A 57 -0.451 -2.114 -3.457 1.00 64.32 C ATOM 905 C PHE A 57 -1.726 -2.978 -3.365 1.00 32.34 C ATOM 906 O PHE A 57 -1.636 -4.199 -3.184 1.00 61.43 O ATOM 907 CB PHE A 57 0.482 -2.672 -4.573 1.00 71.44 C ATOM 908 CG PHE A 57 1.646 -1.757 -4.965 1.00 3.22 C ATOM 909 CD1 PHE A 57 2.872 -1.806 -4.293 1.00 22.21 C ATOM 910 CD2 PHE A 57 1.512 -0.847 -6.018 1.00 2.21 C ATOM 911 CE1 PHE A 57 3.917 -0.973 -4.662 1.00 72.22 C ATOM 912 CE2 PHE A 57 2.556 -0.019 -6.381 1.00 15.52 C ATOM 913 CZ PHE A 57 3.756 -0.082 -5.704 1.00 22.43 C ATOM 0 H PHE A 57 1.029 -2.787 -2.131 1.00 54.34 H new ATOM 0 HA PHE A 57 -0.718 -1.087 -3.705 1.00 64.32 H new ATOM 0 HB2 PHE A 57 0.887 -3.628 -4.242 1.00 71.44 H new ATOM 0 HB3 PHE A 57 -0.118 -2.871 -5.461 1.00 71.44 H new ATOM 0 HD1 PHE A 57 3.006 -2.501 -3.477 1.00 22.21 H new ATOM 0 HD2 PHE A 57 0.577 -0.791 -6.556 1.00 2.21 H new ATOM 0 HE1 PHE A 57 4.858 -1.021 -4.134 1.00 72.22 H new ATOM 0 HE2 PHE A 57 2.433 0.679 -7.196 1.00 15.52 H new ATOM 0 HZ PHE A 57 4.571 0.567 -5.990 1.00 22.43 H new ATOM 923 N VAL A 58 -2.902 -2.346 -3.502 1.00 61.21 N ATOM 924 CA VAL A 58 -4.194 -3.051 -3.478 1.00 55.02 C ATOM 925 C VAL A 58 -4.396 -3.729 -4.845 1.00 22.33 C ATOM 926 O VAL A 58 -5.026 -3.179 -5.753 1.00 2.11 O ATOM 927 CB VAL A 58 -5.383 -2.066 -3.144 1.00 51.31 C ATOM 928 CG1 VAL A 58 -6.754 -2.790 -3.105 1.00 1.24 C ATOM 929 CG2 VAL A 58 -5.113 -1.320 -1.823 1.00 25.12 C ATOM 0 H VAL A 58 -2.985 -1.338 -3.632 1.00 61.21 H new ATOM 0 HA VAL A 58 -4.187 -3.804 -2.690 1.00 55.02 H new ATOM 0 HB VAL A 58 -5.436 -1.336 -3.952 1.00 51.31 H new ATOM 0 HG11 VAL A 58 -7.539 -2.071 -2.872 1.00 1.24 H new ATOM 0 HG12 VAL A 58 -6.954 -3.243 -4.076 1.00 1.24 H new ATOM 0 HG13 VAL A 58 -6.734 -3.566 -2.340 1.00 1.24 H new ATOM 0 HG21 VAL A 58 -5.943 -0.646 -1.610 1.00 25.12 H new ATOM 0 HG22 VAL A 58 -5.013 -2.041 -1.012 1.00 25.12 H new ATOM 0 HG23 VAL A 58 -4.192 -0.744 -1.912 1.00 25.12 H new ATOM 939 N ASN A 59 -3.808 -4.922 -4.990 1.00 22.51 N ATOM 940 CA ASN A 59 -3.753 -5.648 -6.268 1.00 11.12 C ATOM 941 C ASN A 59 -5.037 -6.477 -6.446 1.00 20.31 C ATOM 942 O ASN A 59 -5.046 -7.691 -6.233 1.00 30.43 O ATOM 943 CB ASN A 59 -2.455 -6.520 -6.309 1.00 44.14 C ATOM 944 CG ASN A 59 -2.108 -7.119 -7.690 1.00 65.24 C ATOM 945 OD1 ASN A 59 -2.975 -7.400 -8.518 1.00 2.43 O ATOM 946 ND2 ASN A 59 -0.826 -7.343 -7.938 1.00 35.24 N ATOM 0 H ASN A 59 -3.354 -5.415 -4.221 1.00 22.51 H new ATOM 0 HA ASN A 59 -3.704 -4.953 -7.106 1.00 11.12 H new ATOM 0 HB2 ASN A 59 -1.616 -5.910 -5.974 1.00 44.14 H new ATOM 0 HB3 ASN A 59 -2.562 -7.335 -5.594 1.00 44.14 H new ATOM 0 HD21 ASN A 59 -0.543 -7.755 -8.827 1.00 35.24 H new ATOM 0 HD22 ASN A 59 -0.122 -7.104 -7.240 1.00 35.24 H new ATOM 953 N GLY A 60 -6.129 -5.779 -6.811 1.00 21.21 N ATOM 954 CA GLY A 60 -7.420 -6.407 -7.077 1.00 74.24 C ATOM 955 C GLY A 60 -8.108 -6.902 -5.811 1.00 42.15 C ATOM 956 O GLY A 60 -8.183 -8.112 -5.569 1.00 10.13 O ATOM 0 H GLY A 60 -6.133 -4.766 -6.927 1.00 21.21 H new ATOM 0 HA2 GLY A 60 -8.069 -5.692 -7.582 1.00 74.24 H new ATOM 0 HA3 GLY A 60 -7.277 -7.245 -7.759 1.00 74.24 H new ATOM 960 N ALA A 61 -8.575 -5.950 -4.991 1.00 71.25 N ATOM 961 CA ALA A 61 -9.359 -6.223 -3.768 1.00 73.40 C ATOM 962 C ALA A 61 -10.547 -5.253 -3.698 1.00 34.41 C ATOM 963 O ALA A 61 -10.488 -4.151 -4.261 1.00 73.22 O ATOM 964 CB ALA A 61 -8.475 -6.107 -2.511 1.00 74.34 C ATOM 0 H ALA A 61 -8.420 -4.956 -5.156 1.00 71.25 H new ATOM 0 HA ALA A 61 -9.737 -7.245 -3.807 1.00 73.40 H new ATOM 0 HB1 ALA A 61 -9.075 -6.312 -1.624 1.00 74.34 H new ATOM 0 HB2 ALA A 61 -7.659 -6.827 -2.572 1.00 74.34 H new ATOM 0 HB3 ALA A 61 -8.065 -5.099 -2.446 1.00 74.34 H new ATOM 970 N SER A 62 -11.618 -5.665 -3.000 1.00 60.41 N ATOM 971 CA SER A 62 -12.860 -4.876 -2.887 1.00 1.25 C ATOM 972 C SER A 62 -12.692 -3.742 -1.859 1.00 50.02 C ATOM 973 O SER A 62 -11.757 -3.754 -1.040 1.00 63.21 O ATOM 974 CB SER A 62 -14.042 -5.794 -2.473 1.00 22.11 C ATOM 975 OG SER A 62 -15.248 -5.064 -2.275 1.00 73.53 O ATOM 0 H SER A 62 -11.649 -6.553 -2.498 1.00 60.41 H new ATOM 0 HA SER A 62 -13.075 -4.434 -3.860 1.00 1.25 H new ATOM 0 HB2 SER A 62 -14.199 -6.550 -3.243 1.00 22.11 H new ATOM 0 HB3 SER A 62 -13.785 -6.323 -1.555 1.00 22.11 H new ATOM 0 HG SER A 62 -16.013 -5.674 -2.335 1.00 73.53 H new ATOM 981 N GLN A 63 -13.634 -2.776 -1.903 1.00 65.14 N ATOM 982 CA GLN A 63 -13.747 -1.705 -0.903 1.00 65.51 C ATOM 983 C GLN A 63 -14.034 -2.295 0.490 1.00 31.10 C ATOM 984 O GLN A 63 -13.687 -1.684 1.488 1.00 52.53 O ATOM 985 CB GLN A 63 -14.841 -0.676 -1.318 1.00 64.55 C ATOM 986 CG GLN A 63 -15.003 0.532 -0.357 1.00 75.24 C ATOM 987 CD GLN A 63 -13.700 1.310 -0.113 1.00 25.44 C ATOM 988 OE1 GLN A 63 -12.839 1.423 -0.989 1.00 74.25 O ATOM 989 NE2 GLN A 63 -13.527 1.817 1.092 1.00 34.54 N ATOM 0 H GLN A 63 -14.338 -2.721 -2.639 1.00 65.14 H new ATOM 0 HA GLN A 63 -12.795 -1.176 -0.854 1.00 65.51 H new ATOM 0 HB2 GLN A 63 -14.606 -0.300 -2.314 1.00 64.55 H new ATOM 0 HB3 GLN A 63 -15.797 -1.194 -1.391 1.00 64.55 H new ATOM 0 HG2 GLN A 63 -15.750 1.212 -0.766 1.00 75.24 H new ATOM 0 HG3 GLN A 63 -15.386 0.175 0.599 1.00 75.24 H new ATOM 0 HE21 GLN A 63 -14.254 1.710 1.799 1.00 34.54 H new ATOM 0 HE22 GLN A 63 -12.666 2.316 1.317 1.00 34.54 H new ATOM 998 N ASN A 64 -14.637 -3.504 0.523 1.00 63.32 N ATOM 999 CA ASN A 64 -14.848 -4.283 1.762 1.00 70.40 C ATOM 1000 C ASN A 64 -13.502 -4.514 2.490 1.00 54.02 C ATOM 1001 O ASN A 64 -13.387 -4.264 3.690 1.00 75.31 O ATOM 1002 CB ASN A 64 -15.497 -5.655 1.427 1.00 50.31 C ATOM 1003 CG ASN A 64 -16.848 -5.556 0.715 1.00 23.31 C ATOM 1004 OD1 ASN A 64 -17.641 -4.642 0.955 1.00 62.32 O ATOM 1005 ND2 ASN A 64 -17.118 -6.494 -0.176 1.00 13.33 N ATOM 0 H ASN A 64 -14.992 -3.968 -0.313 1.00 63.32 H new ATOM 0 HA ASN A 64 -15.514 -3.718 2.414 1.00 70.40 H new ATOM 0 HB2 ASN A 64 -14.811 -6.225 0.801 1.00 50.31 H new ATOM 0 HB3 ASN A 64 -15.627 -6.217 2.352 1.00 50.31 H new ATOM 0 HD21 ASN A 64 -18.001 -6.474 -0.686 1.00 13.33 H new ATOM 0 HD22 ASN A 64 -16.443 -7.238 -0.354 1.00 13.33 H new ATOM 1012 N ASP A 65 -12.483 -4.929 1.707 1.00 53.10 N ATOM 1013 CA ASP A 65 -11.124 -5.233 2.212 1.00 40.10 C ATOM 1014 C ASP A 65 -10.417 -3.934 2.625 1.00 40.34 C ATOM 1015 O ASP A 65 -9.760 -3.873 3.664 1.00 72.44 O ATOM 1016 CB ASP A 65 -10.264 -5.941 1.126 1.00 21.24 C ATOM 1017 CG ASP A 65 -10.897 -7.214 0.542 1.00 14.25 C ATOM 1018 OD1 ASP A 65 -11.871 -7.099 -0.228 1.00 31.24 O ATOM 1019 OD2 ASP A 65 -10.425 -8.329 0.833 1.00 15.11 O ATOM 0 H ASP A 65 -12.579 -5.064 0.701 1.00 53.10 H new ATOM 0 HA ASP A 65 -11.231 -5.897 3.070 1.00 40.10 H new ATOM 0 HB2 ASP A 65 -10.076 -5.238 0.314 1.00 21.24 H new ATOM 0 HB3 ASP A 65 -9.296 -6.196 1.557 1.00 21.24 H new ATOM 1024 N VAL A 66 -10.572 -2.903 1.775 1.00 2.30 N ATOM 1025 CA VAL A 66 -9.994 -1.563 1.990 1.00 42.24 C ATOM 1026 C VAL A 66 -10.533 -0.936 3.298 1.00 14.02 C ATOM 1027 O VAL A 66 -9.790 -0.273 4.033 1.00 4.14 O ATOM 1028 CB VAL A 66 -10.294 -0.632 0.755 1.00 24.23 C ATOM 1029 CG1 VAL A 66 -9.831 0.818 1.000 1.00 74.24 C ATOM 1030 CG2 VAL A 66 -9.663 -1.209 -0.542 1.00 64.55 C ATOM 0 H VAL A 66 -11.108 -2.977 0.910 1.00 2.30 H new ATOM 0 HA VAL A 66 -8.913 -1.665 2.088 1.00 42.24 H new ATOM 0 HB VAL A 66 -11.376 -0.606 0.625 1.00 24.23 H new ATOM 0 HG11 VAL A 66 -10.057 1.425 0.123 1.00 74.24 H new ATOM 0 HG12 VAL A 66 -10.351 1.225 1.867 1.00 74.24 H new ATOM 0 HG13 VAL A 66 -8.757 0.831 1.183 1.00 74.24 H new ATOM 0 HG21 VAL A 66 -9.885 -0.548 -1.380 1.00 64.55 H new ATOM 0 HG22 VAL A 66 -8.583 -1.287 -0.417 1.00 64.55 H new ATOM 0 HG23 VAL A 66 -10.078 -2.197 -0.740 1.00 64.55 H new ATOM 1040 N ASN A 67 -11.826 -1.190 3.580 1.00 30.11 N ATOM 1041 CA ASN A 67 -12.477 -0.797 4.848 1.00 73.25 C ATOM 1042 C ASN A 67 -11.816 -1.515 6.033 1.00 53.12 C ATOM 1043 O ASN A 67 -11.549 -0.893 7.057 1.00 45.01 O ATOM 1044 CB ASN A 67 -14.005 -1.107 4.825 1.00 54.41 C ATOM 1045 CG ASN A 67 -14.800 -0.194 3.887 1.00 61.11 C ATOM 1046 OD1 ASN A 67 -14.490 0.990 3.739 1.00 44.43 O ATOM 1047 ND2 ASN A 67 -15.809 -0.744 3.225 1.00 24.32 N ATOM 0 H ASN A 67 -12.450 -1.674 2.935 1.00 30.11 H new ATOM 0 HA ASN A 67 -12.351 0.279 4.964 1.00 73.25 H new ATOM 0 HB2 ASN A 67 -14.153 -2.143 4.522 1.00 54.41 H new ATOM 0 HB3 ASN A 67 -14.402 -1.011 5.835 1.00 54.41 H new ATOM 0 HD21 ASN A 67 -16.355 -0.184 2.570 1.00 24.32 H new ATOM 0 HD22 ASN A 67 -16.039 -1.727 3.371 1.00 24.32 H new ATOM 1054 N GLU A 68 -11.540 -2.826 5.857 1.00 43.01 N ATOM 1055 CA GLU A 68 -10.885 -3.665 6.882 1.00 42.34 C ATOM 1056 C GLU A 68 -9.453 -3.188 7.178 1.00 54.13 C ATOM 1057 O GLU A 68 -8.989 -3.304 8.311 1.00 13.22 O ATOM 1058 CB GLU A 68 -10.885 -5.154 6.451 1.00 54.35 C ATOM 1059 CG GLU A 68 -12.296 -5.758 6.298 1.00 30.33 C ATOM 1060 CD GLU A 68 -12.286 -7.255 5.959 1.00 43.32 C ATOM 1061 OE1 GLU A 68 -12.031 -8.075 6.866 1.00 42.23 O ATOM 1062 OE2 GLU A 68 -12.540 -7.623 4.792 1.00 30.43 O ATOM 0 H GLU A 68 -11.765 -3.331 5.000 1.00 43.01 H new ATOM 0 HA GLU A 68 -11.461 -3.567 7.802 1.00 42.34 H new ATOM 0 HB2 GLU A 68 -10.355 -5.248 5.503 1.00 54.35 H new ATOM 0 HB3 GLU A 68 -10.329 -5.735 7.186 1.00 54.35 H new ATOM 0 HG2 GLU A 68 -12.850 -5.607 7.224 1.00 30.33 H new ATOM 0 HG3 GLU A 68 -12.831 -5.220 5.515 1.00 30.33 H new ATOM 1069 N PHE A 69 -8.771 -2.642 6.148 1.00 62.53 N ATOM 1070 CA PHE A 69 -7.434 -2.044 6.304 1.00 21.52 C ATOM 1071 C PHE A 69 -7.520 -0.814 7.216 1.00 53.21 C ATOM 1072 O PHE A 69 -6.819 -0.727 8.222 1.00 23.04 O ATOM 1073 CB PHE A 69 -6.831 -1.663 4.919 1.00 65.15 C ATOM 1074 CG PHE A 69 -5.437 -1.025 4.990 1.00 21.24 C ATOM 1075 CD1 PHE A 69 -4.287 -1.819 5.070 1.00 4.13 C ATOM 1076 CD2 PHE A 69 -5.274 0.366 4.990 1.00 32.24 C ATOM 1077 CE1 PHE A 69 -3.032 -1.242 5.144 1.00 55.25 C ATOM 1078 CE2 PHE A 69 -4.020 0.936 5.062 1.00 24.43 C ATOM 1079 CZ PHE A 69 -2.902 0.133 5.140 1.00 43.14 C ATOM 0 H PHE A 69 -9.131 -2.605 5.194 1.00 62.53 H new ATOM 0 HA PHE A 69 -6.773 -2.779 6.763 1.00 21.52 H new ATOM 0 HB2 PHE A 69 -6.776 -2.559 4.301 1.00 65.15 H new ATOM 0 HB3 PHE A 69 -7.509 -0.972 4.419 1.00 65.15 H new ATOM 0 HD1 PHE A 69 -4.381 -2.895 5.074 1.00 4.13 H new ATOM 0 HD2 PHE A 69 -6.144 1.003 4.933 1.00 32.24 H new ATOM 0 HE1 PHE A 69 -2.153 -1.867 5.205 1.00 55.25 H new ATOM 0 HE2 PHE A 69 -3.914 2.011 5.057 1.00 24.43 H new ATOM 0 HZ PHE A 69 -1.921 0.581 5.198 1.00 43.14 H new ATOM 1089 N GLN A 70 -8.401 0.116 6.826 1.00 31.14 N ATOM 1090 CA GLN A 70 -8.670 1.361 7.560 1.00 42.53 C ATOM 1091 C GLN A 70 -9.086 1.113 9.035 1.00 70.00 C ATOM 1092 O GLN A 70 -8.633 1.834 9.935 1.00 62.01 O ATOM 1093 CB GLN A 70 -9.760 2.157 6.795 1.00 4.22 C ATOM 1094 CG GLN A 70 -9.328 2.606 5.378 1.00 55.01 C ATOM 1095 CD GLN A 70 -10.443 3.234 4.543 1.00 62.53 C ATOM 1096 OE1 GLN A 70 -10.315 3.163 3.230 1.00 32.21 O flip ATOM 1097 NE2 GLN A 70 -11.398 3.807 5.068 1.00 13.21 N flip ATOM 0 H GLN A 70 -8.957 0.023 5.976 1.00 31.14 H new ATOM 0 HA GLN A 70 -7.747 1.939 7.610 1.00 42.53 H new ATOM 0 HB2 GLN A 70 -10.656 1.542 6.713 1.00 4.22 H new ATOM 0 HB3 GLN A 70 -10.030 3.037 7.378 1.00 4.22 H new ATOM 0 HG2 GLN A 70 -8.513 3.324 5.471 1.00 55.01 H new ATOM 0 HG3 GLN A 70 -8.933 1.743 4.842 1.00 55.01 H new ATOM 0 HE21 GLN A 70 -11.473 3.847 6.084 1.00 13.21 H new ATOM 0 HE22 GLN A 70 -12.115 4.241 4.486 1.00 13.21 H new ATOM 1106 N ASN A 71 -9.938 0.086 9.251 1.00 4.43 N ATOM 1107 CA ASN A 71 -10.450 -0.289 10.590 1.00 14.50 C ATOM 1108 C ASN A 71 -9.339 -0.853 11.483 1.00 71.22 C ATOM 1109 O ASN A 71 -9.061 -0.297 12.560 1.00 12.12 O ATOM 1110 CB ASN A 71 -11.628 -1.302 10.490 1.00 34.35 C ATOM 1111 CG ASN A 71 -12.876 -0.734 9.812 1.00 14.13 C ATOM 1112 OD1 ASN A 71 -13.141 0.468 9.873 1.00 63.05 O ATOM 1113 ND2 ASN A 71 -13.662 -1.589 9.171 1.00 13.43 N ATOM 0 H ASN A 71 -10.291 -0.508 8.501 1.00 4.43 H new ATOM 0 HA ASN A 71 -10.825 0.625 11.050 1.00 14.50 H new ATOM 0 HB2 ASN A 71 -11.294 -2.180 9.937 1.00 34.35 H new ATOM 0 HB3 ASN A 71 -11.892 -1.638 11.493 1.00 34.35 H new ATOM 0 HD21 ASN A 71 -14.510 -1.257 8.713 1.00 13.43 H new ATOM 0 HD22 ASN A 71 -13.418 -2.579 9.137 1.00 13.43 H new ATOM 1120 N GLU A 72 -8.704 -1.960 11.042 1.00 55.13 N ATOM 1121 CA GLU A 72 -7.665 -2.631 11.843 1.00 43.31 C ATOM 1122 C GLU A 72 -6.454 -1.712 12.102 1.00 2.10 C ATOM 1123 O GLU A 72 -5.867 -1.768 13.181 1.00 21.33 O ATOM 1124 CB GLU A 72 -7.223 -3.980 11.215 1.00 25.24 C ATOM 1125 CG GLU A 72 -8.370 -4.985 10.939 1.00 65.45 C ATOM 1126 CD GLU A 72 -9.388 -5.152 12.090 1.00 14.11 C ATOM 1127 OE1 GLU A 72 -9.022 -5.691 13.157 1.00 52.31 O ATOM 1128 OE2 GLU A 72 -10.570 -4.759 11.928 1.00 43.43 O ATOM 0 H GLU A 72 -8.893 -2.403 10.143 1.00 55.13 H new ATOM 0 HA GLU A 72 -8.117 -2.857 12.809 1.00 43.31 H new ATOM 0 HB2 GLU A 72 -6.708 -3.774 10.277 1.00 25.24 H new ATOM 0 HB3 GLU A 72 -6.499 -4.452 11.879 1.00 25.24 H new ATOM 0 HG2 GLU A 72 -8.905 -4.665 10.045 1.00 65.45 H new ATOM 0 HG3 GLU A 72 -7.933 -5.959 10.717 1.00 65.45 H new ATOM 1135 N ALA A 73 -6.100 -0.849 11.130 1.00 24.22 N ATOM 1136 CA ALA A 73 -5.017 0.136 11.303 1.00 3.50 C ATOM 1137 C ALA A 73 -5.363 1.177 12.394 1.00 74.43 C ATOM 1138 O ALA A 73 -4.592 1.352 13.345 1.00 21.45 O ATOM 1139 CB ALA A 73 -4.706 0.819 9.964 1.00 40.04 C ATOM 0 H ALA A 73 -6.550 -0.815 10.215 1.00 24.22 H new ATOM 0 HA ALA A 73 -4.126 -0.394 11.639 1.00 3.50 H new ATOM 0 HB1 ALA A 73 -3.905 1.545 10.103 1.00 40.04 H new ATOM 0 HB2 ALA A 73 -4.394 0.069 9.237 1.00 40.04 H new ATOM 0 HB3 ALA A 73 -5.598 1.329 9.600 1.00 40.04 H new ATOM 1145 N LYS A 74 -6.548 1.829 12.265 1.00 63.54 N ATOM 1146 CA LYS A 74 -6.974 2.908 13.198 1.00 61.35 C ATOM 1147 C LYS A 74 -7.084 2.409 14.668 1.00 51.45 C ATOM 1148 O LYS A 74 -6.745 3.153 15.596 1.00 43.33 O ATOM 1149 CB LYS A 74 -8.318 3.584 12.750 1.00 24.52 C ATOM 1150 CG LYS A 74 -9.601 2.756 13.015 1.00 73.13 C ATOM 1151 CD LYS A 74 -10.936 3.471 12.665 1.00 60.12 C ATOM 1152 CE LYS A 74 -11.240 3.546 11.152 1.00 30.14 C ATOM 1153 NZ LYS A 74 -10.350 4.487 10.426 1.00 25.43 N ATOM 0 H LYS A 74 -7.223 1.628 11.528 1.00 63.54 H new ATOM 0 HA LYS A 74 -6.188 3.662 13.158 1.00 61.35 H new ATOM 0 HB2 LYS A 74 -8.412 4.541 13.263 1.00 24.52 H new ATOM 0 HB3 LYS A 74 -8.259 3.799 11.683 1.00 24.52 H new ATOM 0 HG2 LYS A 74 -9.542 1.831 12.441 1.00 73.13 H new ATOM 0 HG3 LYS A 74 -9.623 2.477 14.068 1.00 73.13 H new ATOM 0 HD2 LYS A 74 -11.754 2.951 13.163 1.00 60.12 H new ATOM 0 HD3 LYS A 74 -10.909 4.483 13.069 1.00 60.12 H new ATOM 0 HE2 LYS A 74 -11.140 2.551 10.717 1.00 30.14 H new ATOM 0 HE3 LYS A 74 -12.276 3.853 11.010 1.00 30.14 H new ATOM 0 HZ1 LYS A 74 -10.917 5.071 9.779 1.00 25.43 H new ATOM 0 HZ2 LYS A 74 -9.862 5.101 11.109 1.00 25.43 H new ATOM 0 HZ3 LYS A 74 -9.647 3.949 9.881 1.00 25.43 H new ATOM 1167 N LYS A 75 -7.530 1.139 14.868 1.00 43.20 N ATOM 1168 CA LYS A 75 -7.739 0.571 16.231 1.00 42.31 C ATOM 1169 C LYS A 75 -6.404 0.151 16.891 1.00 4.14 C ATOM 1170 O LYS A 75 -6.307 0.096 18.122 1.00 51.34 O ATOM 1171 CB LYS A 75 -8.747 -0.619 16.195 1.00 53.42 C ATOM 1172 CG LYS A 75 -8.249 -1.893 15.481 1.00 11.53 C ATOM 1173 CD LYS A 75 -9.314 -3.017 15.421 1.00 64.12 C ATOM 1174 CE LYS A 75 -10.572 -2.617 14.633 1.00 0.44 C ATOM 1175 NZ LYS A 75 -11.543 -3.741 14.514 1.00 13.53 N ATOM 0 H LYS A 75 -7.750 0.493 14.110 1.00 43.20 H new ATOM 0 HA LYS A 75 -8.170 1.360 16.847 1.00 42.31 H new ATOM 0 HB2 LYS A 75 -9.012 -0.879 17.220 1.00 53.42 H new ATOM 0 HB3 LYS A 75 -9.661 -0.283 15.705 1.00 53.42 H new ATOM 0 HG2 LYS A 75 -7.943 -1.637 14.467 1.00 11.53 H new ATOM 0 HG3 LYS A 75 -7.364 -2.267 15.996 1.00 11.53 H new ATOM 0 HD2 LYS A 75 -8.873 -3.903 14.964 1.00 64.12 H new ATOM 0 HD3 LYS A 75 -9.601 -3.292 16.436 1.00 64.12 H new ATOM 0 HE2 LYS A 75 -11.054 -1.773 15.126 1.00 0.44 H new ATOM 0 HE3 LYS A 75 -10.283 -2.282 13.637 1.00 0.44 H new ATOM 0 HZ1 LYS A 75 -12.511 -3.363 14.495 1.00 13.53 H new ATOM 0 HZ2 LYS A 75 -11.359 -4.267 13.636 1.00 13.53 H new ATOM 0 HZ3 LYS A 75 -11.437 -4.379 15.328 1.00 13.53 H new ATOM 1189 N GLU A 76 -5.380 -0.143 16.061 1.00 61.15 N ATOM 1190 CA GLU A 76 -4.004 -0.442 16.540 1.00 14.45 C ATOM 1191 C GLU A 76 -3.133 0.833 16.557 1.00 33.23 C ATOM 1192 O GLU A 76 -1.942 0.778 16.893 1.00 21.03 O ATOM 1193 CB GLU A 76 -3.355 -1.545 15.650 1.00 42.35 C ATOM 1194 CG GLU A 76 -4.186 -2.849 15.490 1.00 51.51 C ATOM 1195 CD GLU A 76 -4.285 -3.768 16.729 1.00 51.10 C ATOM 1196 OE1 GLU A 76 -4.406 -3.280 17.871 1.00 35.42 O ATOM 1197 OE2 GLU A 76 -4.268 -5.012 16.557 1.00 30.04 O ATOM 0 H GLU A 76 -5.478 -0.181 15.046 1.00 61.15 H new ATOM 0 HA GLU A 76 -4.068 -0.812 17.563 1.00 14.45 H new ATOM 0 HB2 GLU A 76 -3.172 -1.128 14.660 1.00 42.35 H new ATOM 0 HB3 GLU A 76 -2.384 -1.803 16.072 1.00 42.35 H new ATOM 0 HG2 GLU A 76 -5.197 -2.573 15.190 1.00 51.51 H new ATOM 0 HG3 GLU A 76 -3.757 -3.427 14.671 1.00 51.51 H new ATOM 1204 N GLY A 77 -3.743 1.981 16.186 1.00 23.33 N ATOM 1205 CA GLY A 77 -3.061 3.280 16.162 1.00 25.43 C ATOM 1206 C GLY A 77 -2.089 3.455 14.999 1.00 3.25 C ATOM 1207 O GLY A 77 -1.372 4.463 14.944 1.00 40.34 O ATOM 0 H GLY A 77 -4.720 2.026 15.897 1.00 23.33 H new ATOM 0 HA2 GLY A 77 -3.810 4.070 16.117 1.00 25.43 H new ATOM 0 HA3 GLY A 77 -2.517 3.410 17.098 1.00 25.43 H new ATOM 1211 N VAL A 78 -2.061 2.477 14.070 1.00 2.53 N ATOM 1212 CA VAL A 78 -1.184 2.503 12.890 1.00 35.45 C ATOM 1213 C VAL A 78 -1.687 3.581 11.908 1.00 3.40 C ATOM 1214 O VAL A 78 -2.873 3.592 11.548 1.00 13.14 O ATOM 1215 CB VAL A 78 -1.126 1.093 12.177 1.00 42.04 C ATOM 1216 CG1 VAL A 78 -0.175 1.099 10.952 1.00 65.31 C ATOM 1217 CG2 VAL A 78 -0.733 -0.023 13.180 1.00 2.12 C ATOM 0 H VAL A 78 -2.650 1.646 14.121 1.00 2.53 H new ATOM 0 HA VAL A 78 -0.172 2.744 13.216 1.00 35.45 H new ATOM 0 HB VAL A 78 -2.128 0.880 11.805 1.00 42.04 H new ATOM 0 HG11 VAL A 78 -0.166 0.110 10.493 1.00 65.31 H new ATOM 0 HG12 VAL A 78 -0.523 1.833 10.225 1.00 65.31 H new ATOM 0 HG13 VAL A 78 0.833 1.358 11.275 1.00 65.31 H new ATOM 0 HG21 VAL A 78 -0.701 -0.982 12.663 1.00 2.12 H new ATOM 0 HG22 VAL A 78 0.248 0.195 13.601 1.00 2.12 H new ATOM 0 HG23 VAL A 78 -1.470 -0.068 13.982 1.00 2.12 H new ATOM 1227 N SER A 79 -0.776 4.477 11.496 1.00 54.23 N ATOM 1228 CA SER A 79 -1.084 5.588 10.582 1.00 52.21 C ATOM 1229 C SER A 79 -1.067 5.080 9.124 1.00 51.43 C ATOM 1230 O SER A 79 -0.364 4.107 8.810 1.00 71.32 O ATOM 1231 CB SER A 79 -0.061 6.728 10.791 1.00 73.34 C ATOM 1232 OG SER A 79 -0.073 7.187 12.134 1.00 11.31 O ATOM 0 H SER A 79 0.201 4.451 11.789 1.00 54.23 H new ATOM 0 HA SER A 79 -2.079 5.979 10.794 1.00 52.21 H new ATOM 0 HB2 SER A 79 0.938 6.376 10.533 1.00 73.34 H new ATOM 0 HB3 SER A 79 -0.291 7.555 10.119 1.00 73.34 H new ATOM 0 HG SER A 79 0.584 7.906 12.240 1.00 11.31 H new ATOM 1238 N TYR A 80 -1.843 5.738 8.245 1.00 30.35 N ATOM 1239 CA TYR A 80 -1.987 5.321 6.837 1.00 41.03 C ATOM 1240 C TYR A 80 -2.518 6.481 5.973 1.00 74.03 C ATOM 1241 O TYR A 80 -3.177 7.396 6.483 1.00 74.14 O ATOM 1242 CB TYR A 80 -2.915 4.071 6.727 1.00 0.13 C ATOM 1243 CG TYR A 80 -4.357 4.276 7.239 1.00 1.24 C ATOM 1244 CD1 TYR A 80 -4.666 4.210 8.609 1.00 63.34 C ATOM 1245 CD2 TYR A 80 -5.408 4.547 6.357 1.00 25.33 C ATOM 1246 CE1 TYR A 80 -5.959 4.401 9.069 1.00 74.24 C ATOM 1247 CE2 TYR A 80 -6.698 4.735 6.817 1.00 4.21 C ATOM 1248 CZ TYR A 80 -6.966 4.668 8.171 1.00 51.25 C ATOM 1249 OH TYR A 80 -8.252 4.873 8.632 1.00 75.41 O ATOM 0 H TYR A 80 -2.385 6.568 8.487 1.00 30.35 H new ATOM 0 HA TYR A 80 -1.002 5.047 6.459 1.00 41.03 H new ATOM 0 HB2 TYR A 80 -2.958 3.761 5.683 1.00 0.13 H new ATOM 0 HB3 TYR A 80 -2.462 3.251 7.285 1.00 0.13 H new ATOM 0 HD1 TYR A 80 -3.878 4.006 9.319 1.00 63.34 H new ATOM 0 HD2 TYR A 80 -5.208 4.611 5.298 1.00 25.33 H new ATOM 0 HE1 TYR A 80 -6.175 4.341 10.126 1.00 74.24 H new ATOM 0 HE2 TYR A 80 -7.497 4.934 6.118 1.00 4.21 H new ATOM 0 HH TYR A 80 -8.847 5.051 7.874 1.00 75.41 H new ATOM 1259 N ASP A 81 -2.186 6.437 4.667 1.00 64.44 N ATOM 1260 CA ASP A 81 -2.685 7.386 3.645 1.00 43.11 C ATOM 1261 C ASP A 81 -3.349 6.601 2.508 1.00 21.22 C ATOM 1262 O ASP A 81 -2.694 5.780 1.859 1.00 64.42 O ATOM 1263 CB ASP A 81 -1.514 8.242 3.073 1.00 40.20 C ATOM 1264 CG ASP A 81 -0.768 9.066 4.141 1.00 64.43 C ATOM 1265 OD1 ASP A 81 -1.420 9.835 4.882 1.00 32.53 O ATOM 1266 OD2 ASP A 81 0.475 8.971 4.232 1.00 5.32 O ATOM 0 H ASP A 81 -1.555 5.732 4.285 1.00 64.44 H new ATOM 0 HA ASP A 81 -3.410 8.055 4.109 1.00 43.11 H new ATOM 0 HB2 ASP A 81 -0.804 7.582 2.574 1.00 40.20 H new ATOM 0 HB3 ASP A 81 -1.907 8.919 2.314 1.00 40.20 H new ATOM 1271 N VAL A 82 -4.645 6.863 2.266 1.00 53.31 N ATOM 1272 CA VAL A 82 -5.416 6.192 1.207 1.00 5.25 C ATOM 1273 C VAL A 82 -5.236 6.981 -0.111 1.00 45.12 C ATOM 1274 O VAL A 82 -5.895 7.997 -0.354 1.00 24.05 O ATOM 1275 CB VAL A 82 -6.947 6.051 1.601 1.00 70.45 C ATOM 1276 CG1 VAL A 82 -7.752 5.299 0.508 1.00 22.32 C ATOM 1277 CG2 VAL A 82 -7.104 5.362 2.987 1.00 30.32 C ATOM 0 H VAL A 82 -5.186 7.545 2.798 1.00 53.31 H new ATOM 0 HA VAL A 82 -5.041 5.177 1.073 1.00 5.25 H new ATOM 0 HB VAL A 82 -7.361 7.057 1.675 1.00 70.45 H new ATOM 0 HG11 VAL A 82 -8.796 5.222 0.813 1.00 22.32 H new ATOM 0 HG12 VAL A 82 -7.688 5.847 -0.432 1.00 22.32 H new ATOM 0 HG13 VAL A 82 -7.338 4.299 0.374 1.00 22.32 H new ATOM 0 HG21 VAL A 82 -8.162 5.278 3.234 1.00 30.32 H new ATOM 0 HG22 VAL A 82 -6.659 4.368 2.951 1.00 30.32 H new ATOM 0 HG23 VAL A 82 -6.601 5.958 3.749 1.00 30.32 H new ATOM 1287 N LEU A 83 -4.271 6.515 -0.910 1.00 53.30 N ATOM 1288 CA LEU A 83 -3.905 7.098 -2.210 1.00 2.52 C ATOM 1289 C LEU A 83 -4.738 6.426 -3.312 1.00 52.10 C ATOM 1290 O LEU A 83 -4.797 5.203 -3.375 1.00 54.13 O ATOM 1291 CB LEU A 83 -2.381 6.874 -2.473 1.00 44.24 C ATOM 1292 CG LEU A 83 -1.798 7.440 -3.819 1.00 1.24 C ATOM 1293 CD1 LEU A 83 -1.838 8.983 -3.860 1.00 61.13 C ATOM 1294 CD2 LEU A 83 -0.371 6.894 -4.085 1.00 20.43 C ATOM 0 H LEU A 83 -3.707 5.701 -0.667 1.00 53.30 H new ATOM 0 HA LEU A 83 -4.107 8.169 -2.208 1.00 2.52 H new ATOM 0 HB2 LEU A 83 -1.826 7.321 -1.649 1.00 44.24 H new ATOM 0 HB3 LEU A 83 -2.186 5.802 -2.444 1.00 44.24 H new ATOM 0 HG LEU A 83 -2.440 7.088 -4.626 1.00 1.24 H new ATOM 0 HD11 LEU A 83 -1.426 9.333 -4.807 1.00 61.13 H new ATOM 0 HD12 LEU A 83 -2.869 9.323 -3.765 1.00 61.13 H new ATOM 0 HD13 LEU A 83 -1.247 9.384 -3.037 1.00 61.13 H new ATOM 0 HD21 LEU A 83 0.006 7.303 -5.022 1.00 20.43 H new ATOM 0 HD22 LEU A 83 0.289 7.188 -3.269 1.00 20.43 H new ATOM 0 HD23 LEU A 83 -0.404 5.806 -4.151 1.00 20.43 H new ATOM 1306 N LYS A 84 -5.412 7.228 -4.142 1.00 54.34 N ATOM 1307 CA LYS A 84 -6.094 6.746 -5.359 1.00 55.11 C ATOM 1308 C LYS A 84 -5.524 7.503 -6.565 1.00 2.34 C ATOM 1309 O LYS A 84 -5.826 8.689 -6.748 1.00 32.10 O ATOM 1310 CB LYS A 84 -7.636 6.948 -5.295 1.00 50.03 C ATOM 1311 CG LYS A 84 -8.395 6.095 -4.256 1.00 71.31 C ATOM 1312 CD LYS A 84 -9.932 6.257 -4.404 1.00 74.35 C ATOM 1313 CE LYS A 84 -10.724 5.475 -3.352 1.00 3.11 C ATOM 1314 NZ LYS A 84 -10.456 5.974 -1.976 1.00 63.33 N ATOM 0 H LYS A 84 -5.503 8.233 -3.993 1.00 54.34 H new ATOM 0 HA LYS A 84 -5.917 5.674 -5.449 1.00 55.11 H new ATOM 0 HB2 LYS A 84 -7.835 7.999 -5.086 1.00 50.03 H new ATOM 0 HB3 LYS A 84 -8.050 6.735 -6.281 1.00 50.03 H new ATOM 0 HG2 LYS A 84 -8.125 5.046 -4.377 1.00 71.31 H new ATOM 0 HG3 LYS A 84 -8.092 6.388 -3.251 1.00 71.31 H new ATOM 0 HD2 LYS A 84 -10.188 7.314 -4.331 1.00 74.35 H new ATOM 0 HD3 LYS A 84 -10.232 5.924 -5.397 1.00 74.35 H new ATOM 0 HE2 LYS A 84 -11.790 5.554 -3.566 1.00 3.11 H new ATOM 0 HE3 LYS A 84 -10.464 4.418 -3.413 1.00 3.11 H new ATOM 0 HZ1 LYS A 84 -11.118 5.528 -1.310 1.00 63.33 H new ATOM 0 HZ2 LYS A 84 -9.480 5.737 -1.705 1.00 63.33 H new ATOM 0 HZ3 LYS A 84 -10.582 7.006 -1.950 1.00 63.33 H new ATOM 1328 N SER A 85 -4.683 6.827 -7.359 1.00 63.33 N ATOM 1329 CA SER A 85 -4.057 7.415 -8.558 1.00 35.14 C ATOM 1330 C SER A 85 -3.829 6.333 -9.626 1.00 52.41 C ATOM 1331 O SER A 85 -3.354 5.248 -9.313 1.00 12.43 O ATOM 1332 CB SER A 85 -2.706 8.073 -8.185 1.00 61.02 C ATOM 1333 OG SER A 85 -2.860 9.050 -7.168 1.00 20.51 O ATOM 0 H SER A 85 -4.415 5.857 -7.191 1.00 63.33 H new ATOM 0 HA SER A 85 -4.726 8.175 -8.961 1.00 35.14 H new ATOM 0 HB2 SER A 85 -2.008 7.306 -7.850 1.00 61.02 H new ATOM 0 HB3 SER A 85 -2.270 8.535 -9.071 1.00 61.02 H new ATOM 0 HG SER A 85 -2.198 9.761 -7.295 1.00 20.51 H new ATOM 1339 N THR A 86 -4.174 6.643 -10.884 1.00 24.01 N ATOM 1340 CA THR A 86 -3.880 5.796 -12.047 1.00 63.51 C ATOM 1341 C THR A 86 -2.887 6.545 -12.942 1.00 74.24 C ATOM 1342 O THR A 86 -3.286 7.375 -13.773 1.00 3.01 O ATOM 1343 CB THR A 86 -5.181 5.432 -12.846 1.00 64.01 C ATOM 1344 OG1 THR A 86 -5.973 6.615 -13.078 1.00 2.31 O ATOM 1345 CG2 THR A 86 -6.034 4.388 -12.118 1.00 70.31 C ATOM 0 H THR A 86 -4.671 7.500 -11.125 1.00 24.01 H new ATOM 0 HA THR A 86 -3.449 4.854 -11.707 1.00 63.51 H new ATOM 0 HB THR A 86 -4.861 5.004 -13.796 1.00 64.01 H new ATOM 0 HG1 THR A 86 -5.397 7.333 -13.415 1.00 2.31 H new ATOM 0 HG21 THR A 86 -6.923 4.168 -12.709 1.00 70.31 H new ATOM 0 HG22 THR A 86 -5.454 3.475 -11.982 1.00 70.31 H new ATOM 0 HG23 THR A 86 -6.333 4.777 -11.144 1.00 70.31 H new ATOM 1353 N ASP A 87 -1.590 6.287 -12.716 1.00 15.51 N ATOM 1354 CA ASP A 87 -0.502 6.892 -13.484 1.00 34.01 C ATOM 1355 C ASP A 87 0.777 6.081 -13.207 1.00 24.11 C ATOM 1356 O ASP A 87 1.219 6.023 -12.051 1.00 11.42 O ATOM 1357 CB ASP A 87 -0.287 8.388 -13.119 1.00 31.33 C ATOM 1358 CG ASP A 87 0.649 9.107 -14.115 1.00 10.51 C ATOM 1359 OD1 ASP A 87 1.880 9.093 -13.928 1.00 34.01 O ATOM 1360 OD2 ASP A 87 0.151 9.672 -15.111 1.00 3.52 O ATOM 0 H ASP A 87 -1.269 5.648 -11.989 1.00 15.51 H new ATOM 0 HA ASP A 87 -0.756 6.867 -14.544 1.00 34.01 H new ATOM 0 HB2 ASP A 87 -1.251 8.897 -13.098 1.00 31.33 H new ATOM 0 HB3 ASP A 87 0.132 8.458 -12.115 1.00 31.33 H new ATOM 1365 N PRO A 88 1.389 5.441 -14.255 1.00 40.32 N ATOM 1366 CA PRO A 88 2.574 4.546 -14.087 1.00 31.42 C ATOM 1367 C PRO A 88 3.759 5.256 -13.404 1.00 32.14 C ATOM 1368 O PRO A 88 4.457 4.670 -12.572 1.00 31.41 O ATOM 1369 CB PRO A 88 2.920 4.128 -15.546 1.00 53.14 C ATOM 1370 CG PRO A 88 2.276 5.173 -16.403 1.00 12.41 C ATOM 1371 CD PRO A 88 0.997 5.535 -15.689 1.00 60.42 C ATOM 0 HA PRO A 88 2.361 3.698 -13.437 1.00 31.42 H new ATOM 0 HB2 PRO A 88 3.998 4.096 -15.704 1.00 53.14 H new ATOM 0 HB3 PRO A 88 2.534 3.135 -15.775 1.00 53.14 H new ATOM 0 HG2 PRO A 88 2.923 6.043 -16.517 1.00 12.41 H new ATOM 0 HG3 PRO A 88 2.074 4.792 -17.404 1.00 12.41 H new ATOM 0 HD2 PRO A 88 0.656 6.536 -15.951 1.00 60.42 H new ATOM 0 HD3 PRO A 88 0.187 4.848 -15.934 1.00 60.42 H new ATOM 1379 N GLU A 89 3.920 6.549 -13.712 1.00 31.13 N ATOM 1380 CA GLU A 89 5.056 7.347 -13.242 1.00 51.43 C ATOM 1381 C GLU A 89 4.784 7.871 -11.819 1.00 41.11 C ATOM 1382 O GLU A 89 5.643 7.767 -10.939 1.00 22.21 O ATOM 1383 CB GLU A 89 5.329 8.509 -14.233 1.00 53.24 C ATOM 1384 CG GLU A 89 5.566 8.034 -15.686 1.00 14.13 C ATOM 1385 CD GLU A 89 5.855 9.177 -16.671 1.00 31.32 C ATOM 1386 OE1 GLU A 89 4.903 9.752 -17.232 1.00 42.15 O ATOM 1387 OE2 GLU A 89 7.036 9.515 -16.889 1.00 2.14 O ATOM 0 H GLU A 89 3.265 7.070 -14.295 1.00 31.13 H new ATOM 0 HA GLU A 89 5.947 6.721 -13.201 1.00 51.43 H new ATOM 0 HB2 GLU A 89 4.484 9.197 -14.217 1.00 53.24 H new ATOM 0 HB3 GLU A 89 6.201 9.068 -13.894 1.00 53.24 H new ATOM 0 HG2 GLU A 89 6.403 7.336 -15.698 1.00 14.13 H new ATOM 0 HG3 GLU A 89 4.688 7.486 -16.027 1.00 14.13 H new ATOM 1394 N GLU A 90 3.555 8.379 -11.586 1.00 4.45 N ATOM 1395 CA GLU A 90 3.198 9.052 -10.322 1.00 13.32 C ATOM 1396 C GLU A 90 3.194 8.071 -9.145 1.00 25.24 C ATOM 1397 O GLU A 90 3.688 8.391 -8.071 1.00 63.44 O ATOM 1398 CB GLU A 90 1.830 9.761 -10.413 1.00 22.32 C ATOM 1399 CG GLU A 90 1.528 10.660 -9.191 1.00 42.35 C ATOM 1400 CD GLU A 90 0.084 11.169 -9.137 1.00 43.43 C ATOM 1401 OE1 GLU A 90 -0.289 12.027 -9.958 1.00 3.13 O ATOM 1402 OE2 GLU A 90 -0.678 10.723 -8.261 1.00 53.43 O ATOM 0 H GLU A 90 2.792 8.335 -12.261 1.00 4.45 H new ATOM 0 HA GLU A 90 3.965 9.807 -10.147 1.00 13.32 H new ATOM 0 HB2 GLU A 90 1.802 10.368 -11.318 1.00 22.32 H new ATOM 0 HB3 GLU A 90 1.045 9.011 -10.507 1.00 22.32 H new ATOM 0 HG2 GLU A 90 1.740 10.101 -8.280 1.00 42.35 H new ATOM 0 HG3 GLU A 90 2.204 11.515 -9.205 1.00 42.35 H new ATOM 1409 N LEU A 91 2.656 6.864 -9.368 1.00 10.23 N ATOM 1410 CA LEU A 91 2.606 5.830 -8.318 1.00 14.43 C ATOM 1411 C LEU A 91 4.031 5.458 -7.858 1.00 60.02 C ATOM 1412 O LEU A 91 4.265 5.273 -6.670 1.00 20.42 O ATOM 1413 CB LEU A 91 1.827 4.584 -8.797 1.00 72.15 C ATOM 1414 CG LEU A 91 0.300 4.786 -9.035 1.00 3.51 C ATOM 1415 CD1 LEU A 91 -0.347 3.499 -9.580 1.00 75.00 C ATOM 1416 CD2 LEU A 91 -0.399 5.264 -7.743 1.00 41.11 C ATOM 0 H LEU A 91 2.251 6.578 -10.259 1.00 10.23 H new ATOM 0 HA LEU A 91 2.070 6.239 -7.462 1.00 14.43 H new ATOM 0 HB2 LEU A 91 2.277 4.233 -9.726 1.00 72.15 H new ATOM 0 HB3 LEU A 91 1.959 3.792 -8.060 1.00 72.15 H new ATOM 0 HG LEU A 91 0.173 5.564 -9.788 1.00 3.51 H new ATOM 0 HD11 LEU A 91 -1.413 3.666 -9.738 1.00 75.00 H new ATOM 0 HD12 LEU A 91 0.122 3.229 -10.526 1.00 75.00 H new ATOM 0 HD13 LEU A 91 -0.209 2.690 -8.862 1.00 75.00 H new ATOM 0 HD21 LEU A 91 -1.464 5.398 -7.934 1.00 41.11 H new ATOM 0 HD22 LEU A 91 -0.262 4.520 -6.958 1.00 41.11 H new ATOM 0 HD23 LEU A 91 0.035 6.212 -7.424 1.00 41.11 H new ATOM 1428 N THR A 92 4.983 5.433 -8.816 1.00 1.42 N ATOM 1429 CA THR A 92 6.399 5.129 -8.543 1.00 73.11 C ATOM 1430 C THR A 92 7.052 6.250 -7.694 1.00 43.01 C ATOM 1431 O THR A 92 7.798 5.953 -6.742 1.00 71.21 O ATOM 1432 CB THR A 92 7.190 4.921 -9.881 1.00 73.12 C ATOM 1433 OG1 THR A 92 6.536 3.915 -10.680 1.00 31.21 O ATOM 1434 CG2 THR A 92 8.660 4.503 -9.648 1.00 72.03 C ATOM 0 H THR A 92 4.788 5.623 -9.799 1.00 1.42 H new ATOM 0 HA THR A 92 6.440 4.202 -7.972 1.00 73.11 H new ATOM 0 HB THR A 92 7.198 5.881 -10.398 1.00 73.12 H new ATOM 0 HG1 THR A 92 5.774 4.314 -11.149 1.00 31.21 H new ATOM 0 HG21 THR A 92 9.158 4.373 -10.609 1.00 72.03 H new ATOM 0 HG22 THR A 92 9.172 5.276 -9.075 1.00 72.03 H new ATOM 0 HG23 THR A 92 8.688 3.564 -9.095 1.00 72.03 H new ATOM 1442 N GLN A 93 6.741 7.538 -8.016 1.00 71.35 N ATOM 1443 CA GLN A 93 7.302 8.680 -7.261 1.00 24.32 C ATOM 1444 C GLN A 93 6.698 8.736 -5.849 1.00 63.15 C ATOM 1445 O GLN A 93 7.394 9.106 -4.911 1.00 51.13 O ATOM 1446 CB GLN A 93 7.143 10.063 -7.972 1.00 42.25 C ATOM 1447 CG GLN A 93 5.710 10.624 -8.052 1.00 3.02 C ATOM 1448 CD GLN A 93 5.630 12.103 -8.442 1.00 34.31 C ATOM 1449 OE1 GLN A 93 5.585 12.452 -9.625 1.00 1.43 O ATOM 1450 NE2 GLN A 93 5.603 12.982 -7.448 1.00 13.03 N ATOM 0 H GLN A 93 6.117 7.801 -8.779 1.00 71.35 H new ATOM 0 HA GLN A 93 8.375 8.497 -7.204 1.00 24.32 H new ATOM 0 HB2 GLN A 93 7.767 10.790 -7.452 1.00 42.25 H new ATOM 0 HB3 GLN A 93 7.534 9.974 -8.986 1.00 42.25 H new ATOM 0 HG2 GLN A 93 5.144 10.039 -8.776 1.00 3.02 H new ATOM 0 HG3 GLN A 93 5.226 10.489 -7.085 1.00 3.02 H new ATOM 0 HE21 GLN A 93 5.642 12.660 -6.481 1.00 13.03 H new ATOM 0 HE22 GLN A 93 5.543 13.980 -7.651 1.00 13.03 H new ATOM 1459 N ARG A 94 5.412 8.320 -5.703 1.00 34.31 N ATOM 1460 CA ARG A 94 4.707 8.368 -4.406 1.00 41.42 C ATOM 1461 C ARG A 94 5.256 7.286 -3.455 1.00 71.24 C ATOM 1462 O ARG A 94 5.367 7.528 -2.258 1.00 24.33 O ATOM 1463 CB ARG A 94 3.164 8.232 -4.568 1.00 72.22 C ATOM 1464 CG ARG A 94 2.478 9.365 -5.376 1.00 72.04 C ATOM 1465 CD ARG A 94 2.752 10.778 -4.831 1.00 34.22 C ATOM 1466 NE ARG A 94 2.171 11.819 -5.702 1.00 63.42 N ATOM 1467 CZ ARG A 94 2.578 13.102 -5.763 1.00 12.11 C ATOM 1468 NH1 ARG A 94 3.589 13.549 -5.014 1.00 11.54 N ATOM 1469 NH2 ARG A 94 1.972 13.941 -6.592 1.00 34.32 N ATOM 0 H ARG A 94 4.849 7.950 -6.469 1.00 34.31 H new ATOM 0 HA ARG A 94 4.895 9.349 -3.970 1.00 41.42 H new ATOM 0 HB2 ARG A 94 2.949 7.280 -5.054 1.00 72.22 H new ATOM 0 HB3 ARG A 94 2.714 8.192 -3.576 1.00 72.22 H new ATOM 0 HG2 ARG A 94 2.816 9.314 -6.411 1.00 72.04 H new ATOM 0 HG3 ARG A 94 1.402 9.192 -5.383 1.00 72.04 H new ATOM 0 HD2 ARG A 94 2.336 10.869 -3.828 1.00 34.22 H new ATOM 0 HD3 ARG A 94 3.827 10.933 -4.745 1.00 34.22 H new ATOM 0 HE ARG A 94 1.398 11.544 -6.308 1.00 63.42 H new ATOM 0 HH11 ARG A 94 4.072 12.915 -4.378 1.00 11.54 H new ATOM 0 HH12 ARG A 94 3.879 14.525 -5.078 1.00 11.54 H new ATOM 0 HH21 ARG A 94 1.204 13.614 -7.178 1.00 34.32 H new ATOM 0 HH22 ARG A 94 2.274 14.914 -6.644 1.00 34.32 H new ATOM 1483 N VAL A 95 5.601 6.101 -4.010 1.00 1.55 N ATOM 1484 CA VAL A 95 6.263 5.015 -3.251 1.00 32.13 C ATOM 1485 C VAL A 95 7.625 5.501 -2.713 1.00 24.35 C ATOM 1486 O VAL A 95 7.871 5.479 -1.499 1.00 22.53 O ATOM 1487 CB VAL A 95 6.466 3.723 -4.148 1.00 72.50 C ATOM 1488 CG1 VAL A 95 7.346 2.641 -3.457 1.00 61.40 C ATOM 1489 CG2 VAL A 95 5.107 3.128 -4.577 1.00 42.52 C ATOM 0 H VAL A 95 5.430 5.872 -4.989 1.00 1.55 H new ATOM 0 HA VAL A 95 5.617 4.747 -2.415 1.00 32.13 H new ATOM 0 HB VAL A 95 7.005 4.046 -5.039 1.00 72.50 H new ATOM 0 HG11 VAL A 95 7.450 1.780 -4.118 1.00 61.40 H new ATOM 0 HG12 VAL A 95 8.331 3.055 -3.243 1.00 61.40 H new ATOM 0 HG13 VAL A 95 6.874 2.328 -2.526 1.00 61.40 H new ATOM 0 HG21 VAL A 95 5.275 2.243 -5.191 1.00 42.52 H new ATOM 0 HG22 VAL A 95 4.535 2.852 -3.691 1.00 42.52 H new ATOM 0 HG23 VAL A 95 4.551 3.868 -5.152 1.00 42.52 H new ATOM 1499 N ARG A 96 8.480 6.003 -3.635 1.00 24.54 N ATOM 1500 CA ARG A 96 9.869 6.360 -3.306 1.00 60.12 C ATOM 1501 C ARG A 96 9.940 7.596 -2.375 1.00 42.42 C ATOM 1502 O ARG A 96 10.794 7.647 -1.483 1.00 21.34 O ATOM 1503 CB ARG A 96 10.729 6.553 -4.596 1.00 22.15 C ATOM 1504 CG ARG A 96 10.436 7.816 -5.427 1.00 65.35 C ATOM 1505 CD ARG A 96 11.233 7.869 -6.748 1.00 14.22 C ATOM 1506 NE ARG A 96 12.692 7.844 -6.529 1.00 33.32 N ATOM 1507 CZ ARG A 96 13.630 8.157 -7.449 1.00 63.13 C ATOM 1508 NH1 ARG A 96 13.293 8.540 -8.683 1.00 3.52 N ATOM 1509 NH2 ARG A 96 14.913 8.073 -7.119 1.00 73.44 N ATOM 0 H ARG A 96 8.227 6.168 -4.609 1.00 24.54 H new ATOM 0 HA ARG A 96 10.297 5.524 -2.754 1.00 60.12 H new ATOM 0 HB2 ARG A 96 11.780 6.569 -4.308 1.00 22.15 H new ATOM 0 HB3 ARG A 96 10.587 5.682 -5.236 1.00 22.15 H new ATOM 0 HG2 ARG A 96 9.370 7.857 -5.651 1.00 65.35 H new ATOM 0 HG3 ARG A 96 10.671 8.698 -4.832 1.00 65.35 H new ATOM 0 HD2 ARG A 96 10.948 7.024 -7.374 1.00 14.22 H new ATOM 0 HD3 ARG A 96 10.966 8.774 -7.294 1.00 14.22 H new ATOM 0 HE ARG A 96 13.020 7.567 -5.604 1.00 33.32 H new ATOM 0 HH11 ARG A 96 12.310 8.601 -8.947 1.00 3.52 H new ATOM 0 HH12 ARG A 96 14.019 8.772 -9.361 1.00 3.52 H new ATOM 0 HH21 ARG A 96 15.180 7.775 -6.181 1.00 73.44 H new ATOM 0 HH22 ARG A 96 15.632 8.306 -7.804 1.00 73.44 H new ATOM 1523 N GLU A 97 9.008 8.567 -2.556 1.00 32.22 N ATOM 1524 CA GLU A 97 8.981 9.800 -1.735 1.00 52.10 C ATOM 1525 C GLU A 97 8.385 9.511 -0.354 1.00 72.53 C ATOM 1526 O GLU A 97 8.752 10.166 0.617 1.00 25.22 O ATOM 1527 CB GLU A 97 8.228 10.976 -2.431 1.00 23.30 C ATOM 1528 CG GLU A 97 6.681 10.893 -2.426 1.00 73.12 C ATOM 1529 CD GLU A 97 6.004 11.991 -3.267 1.00 1.42 C ATOM 1530 OE1 GLU A 97 6.024 11.898 -4.516 1.00 11.43 O ATOM 1531 OE2 GLU A 97 5.455 12.957 -2.691 1.00 72.34 O ATOM 0 H GLU A 97 8.271 8.518 -3.259 1.00 32.22 H new ATOM 0 HA GLU A 97 10.015 10.124 -1.616 1.00 52.10 H new ATOM 0 HB2 GLU A 97 8.523 11.907 -1.947 1.00 23.30 H new ATOM 0 HB3 GLU A 97 8.565 11.034 -3.466 1.00 23.30 H new ATOM 0 HG2 GLU A 97 6.376 9.917 -2.804 1.00 73.12 H new ATOM 0 HG3 GLU A 97 6.325 10.962 -1.398 1.00 73.12 H new ATOM 1538 N PHE A 98 7.473 8.511 -0.279 1.00 22.13 N ATOM 1539 CA PHE A 98 6.890 8.045 0.998 1.00 34.22 C ATOM 1540 C PHE A 98 7.981 7.407 1.867 1.00 60.43 C ATOM 1541 O PHE A 98 8.018 7.609 3.079 1.00 54.20 O ATOM 1542 CB PHE A 98 5.743 7.030 0.747 1.00 62.52 C ATOM 1543 CG PHE A 98 4.954 6.648 1.998 1.00 53.54 C ATOM 1544 CD1 PHE A 98 3.913 7.459 2.448 1.00 75.44 C ATOM 1545 CD2 PHE A 98 5.253 5.496 2.733 1.00 24.10 C ATOM 1546 CE1 PHE A 98 3.204 7.137 3.583 1.00 22.33 C ATOM 1547 CE2 PHE A 98 4.538 5.180 3.871 1.00 12.21 C ATOM 1548 CZ PHE A 98 3.518 6.000 4.292 1.00 0.31 C ATOM 0 H PHE A 98 7.125 8.010 -1.096 1.00 22.13 H new ATOM 0 HA PHE A 98 6.472 8.905 1.521 1.00 34.22 H new ATOM 0 HB2 PHE A 98 5.056 7.451 0.013 1.00 62.52 H new ATOM 0 HB3 PHE A 98 6.164 6.126 0.307 1.00 62.52 H new ATOM 0 HD1 PHE A 98 3.659 8.353 1.898 1.00 75.44 H new ATOM 0 HD2 PHE A 98 6.052 4.847 2.407 1.00 24.10 H new ATOM 0 HE1 PHE A 98 2.401 7.777 3.917 1.00 22.33 H new ATOM 0 HE2 PHE A 98 4.780 4.289 4.431 1.00 12.21 H new ATOM 0 HZ PHE A 98 2.961 5.751 5.183 1.00 0.31 H new ATOM 1558 N LEU A 99 8.880 6.647 1.223 1.00 63.22 N ATOM 1559 CA LEU A 99 10.017 6.013 1.910 1.00 25.43 C ATOM 1560 C LEU A 99 11.055 7.072 2.384 1.00 40.13 C ATOM 1561 O LEU A 99 11.821 6.811 3.315 1.00 12.44 O ATOM 1562 CB LEU A 99 10.666 4.932 0.996 1.00 42.42 C ATOM 1563 CG LEU A 99 9.724 3.750 0.562 1.00 33.12 C ATOM 1564 CD1 LEU A 99 10.435 2.777 -0.400 1.00 54.32 C ATOM 1565 CD2 LEU A 99 9.145 3.003 1.786 1.00 63.20 C ATOM 0 H LEU A 99 8.841 6.456 0.222 1.00 63.22 H new ATOM 0 HA LEU A 99 9.645 5.515 2.805 1.00 25.43 H new ATOM 0 HB2 LEU A 99 11.042 5.421 0.097 1.00 42.42 H new ATOM 0 HB3 LEU A 99 11.528 4.513 1.516 1.00 42.42 H new ATOM 0 HG LEU A 99 8.887 4.192 0.021 1.00 33.12 H new ATOM 0 HD11 LEU A 99 9.751 1.974 -0.677 1.00 54.32 H new ATOM 0 HD12 LEU A 99 10.746 3.314 -1.296 1.00 54.32 H new ATOM 0 HD13 LEU A 99 11.311 2.354 0.092 1.00 54.32 H new ATOM 0 HD21 LEU A 99 8.499 2.193 1.446 1.00 63.20 H new ATOM 0 HD22 LEU A 99 9.961 2.591 2.380 1.00 63.20 H new ATOM 0 HD23 LEU A 99 8.566 3.697 2.396 1.00 63.20 H new ATOM 1577 N LYS A 100 11.027 8.282 1.779 1.00 32.35 N ATOM 1578 CA LYS A 100 11.913 9.406 2.169 1.00 10.32 C ATOM 1579 C LYS A 100 11.274 10.216 3.320 1.00 21.33 C ATOM 1580 O LYS A 100 11.959 10.601 4.276 1.00 10.21 O ATOM 1581 CB LYS A 100 12.208 10.358 0.971 1.00 34.35 C ATOM 1582 CG LYS A 100 13.015 9.734 -0.196 1.00 42.40 C ATOM 1583 CD LYS A 100 13.458 10.792 -1.246 1.00 13.11 C ATOM 1584 CE LYS A 100 12.272 11.528 -1.898 1.00 22.41 C ATOM 1585 NZ LYS A 100 12.712 12.607 -2.828 1.00 42.01 N ATOM 0 H LYS A 100 10.394 8.507 1.011 1.00 32.35 H new ATOM 0 HA LYS A 100 12.857 8.972 2.499 1.00 10.32 H new ATOM 0 HB2 LYS A 100 11.259 10.724 0.578 1.00 34.35 H new ATOM 0 HB3 LYS A 100 12.754 11.224 1.344 1.00 34.35 H new ATOM 0 HG2 LYS A 100 13.896 9.232 0.203 1.00 42.40 H new ATOM 0 HG3 LYS A 100 12.409 8.972 -0.686 1.00 42.40 H new ATOM 0 HD2 LYS A 100 14.111 11.521 -0.766 1.00 13.11 H new ATOM 0 HD3 LYS A 100 14.045 10.301 -2.022 1.00 13.11 H new ATOM 0 HE2 LYS A 100 11.659 10.811 -2.443 1.00 22.41 H new ATOM 0 HE3 LYS A 100 11.643 11.958 -1.119 1.00 22.41 H new ATOM 0 HZ1 LYS A 100 11.878 13.071 -3.240 1.00 42.01 H new ATOM 0 HZ2 LYS A 100 13.275 13.308 -2.305 1.00 42.01 H new ATOM 0 HZ3 LYS A 100 13.290 12.196 -3.588 1.00 42.01 H new ATOM 1599 N THR A 101 9.941 10.432 3.238 1.00 10.51 N ATOM 1600 CA THR A 101 9.217 11.371 4.118 1.00 51.54 C ATOM 1601 C THR A 101 8.725 10.644 5.376 1.00 73.51 C ATOM 1602 O THR A 101 8.967 11.093 6.490 1.00 13.31 O ATOM 1603 CB THR A 101 8.007 12.048 3.381 1.00 71.33 C ATOM 1604 OG1 THR A 101 7.207 11.043 2.732 1.00 62.11 O ATOM 1605 CG2 THR A 101 8.464 13.096 2.346 1.00 50.40 C ATOM 0 H THR A 101 9.341 9.961 2.561 1.00 10.51 H new ATOM 0 HA THR A 101 9.915 12.159 4.403 1.00 51.54 H new ATOM 0 HB THR A 101 7.416 12.568 4.135 1.00 71.33 H new ATOM 0 HG1 THR A 101 7.660 10.740 1.917 1.00 62.11 H new ATOM 0 HG21 THR A 101 7.591 13.536 1.863 1.00 50.40 H new ATOM 0 HG22 THR A 101 9.034 13.878 2.848 1.00 50.40 H new ATOM 0 HG23 THR A 101 9.091 12.616 1.594 1.00 50.40 H new ATOM 1613 N ALA A 102 8.044 9.500 5.191 1.00 63.04 N ATOM 1614 CA ALA A 102 7.620 8.635 6.316 1.00 24.53 C ATOM 1615 C ALA A 102 8.816 7.874 6.931 1.00 70.34 C ATOM 1616 O ALA A 102 8.646 7.146 7.908 1.00 65.51 O ATOM 1617 CB ALA A 102 6.511 7.679 5.864 1.00 63.24 C ATOM 0 H ALA A 102 7.773 9.149 4.273 1.00 63.04 H new ATOM 0 HA ALA A 102 7.217 9.273 7.103 1.00 24.53 H new ATOM 0 HB1 ALA A 102 6.210 7.050 6.701 1.00 63.24 H new ATOM 0 HB2 ALA A 102 5.654 8.255 5.516 1.00 63.24 H new ATOM 0 HB3 ALA A 102 6.880 7.051 5.053 1.00 63.24 H new