USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 878 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 67 SER OG : rot -61:sc= 0.405 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -140:sc= -1.62! (180deg=-4.35!) USER MOD Set 2.1: A 98 GLN : amide:sc= -3.32! K(o=-6.4!,f=-2.7) USER MOD Set 2.2: A 102 GLN : amide:sc= -3.03! K(o=-6.4!,f=-1.2) USER MOD Set 3.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 65 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.27) USER MOD Set 4.1: A 54 LYS NZ :NH3+ -113:sc= 0.904 (180deg=-3.5!) USER MOD Set 4.2: A 93 SER OG : rot -84:sc= -1.32! USER MOD Set 5.1: A 52 ASN : amide:sc= -4.54! K(o=-15!,f=-9.7) USER MOD Set 5.2: A 53 GLN : amide:sc= -10.4! K(o=-15!,f=-4.6) USER MOD Set 6.1: A 37 THR OG1 : rot 97:sc= 0.929 USER MOD Set 6.2: A 38 ASN : amide:sc= -1.39 K(o=-0.46,f=0.31) USER MOD Set 7.1: A 25 ASN : amide:sc= -5.52! K(o=-5.5!,f=-1.3) USER MOD Set 7.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: A 5 TYR OH : rot 61:sc= -2.5! USER MOD Set 8.2: A 9 LYS NZ :NH3+ -168:sc= 1.08! (180deg=0.13!) USER MOD Single : A 6 GLN : amide:sc= -7.2! K(o=-7.2!,f=-0.95) USER MOD Single : A 17 THR OG1 : rot 15:sc= 0.0582! USER MOD Single : A 19 TYR OH : rot 180:sc= -1.63! USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.47) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 60:sc= -3.14! USER MOD Single : A 42 GLN : amide:sc= -5.19! C(o=-5.2!,f=-3.1!) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= -0.524 (180deg=-0.572) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 24:sc= -2.88! USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.59! USER MOD Single : A 55 THR OG1 : rot -88:sc= 1.17 USER MOD Single : A 58 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.34) USER MOD Single : A 72 ASN : amide:sc= -4.03! C(o=-4!,f=-2.5!) USER MOD Single : A 75 THR OG1 : rot 126:sc= -0.297 USER MOD Single : A 77 SER OG : rot 170:sc= 0.568 USER MOD Single : A 78 GLN : amide:sc=-0.00245 X(o=-0.0025,f=-0.063) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 87 GLN : amide:sc= -9.72! C(o=-9.7!,f=-3.5!) USER MOD Single : A 90 GLN : amide:sc= -4.58 K(o=-4.6,f=-1.1) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -4.71! C(o=-4.7!,f=-6.4!) USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.141) USER MOD Single : A 108 LYS NZ :NH3+ -134:sc= -3! (180deg=-5.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 4 -16.429 7.190 -0.139 1.00 0.65 N ATOM 50 CA LEU A 4 -16.108 6.822 -1.512 1.00 0.69 C ATOM 51 C LEU A 4 -15.780 5.336 -1.643 1.00 0.69 C ATOM 52 O LEU A 4 -15.264 4.900 -2.674 1.00 0.91 O ATOM 53 CB LEU A 4 -14.926 7.658 -2.007 1.00 0.65 C ATOM 54 CG LEU A 4 -15.205 8.574 -3.209 1.00 0.81 C ATOM 55 CD1 LEU A 4 -16.267 7.981 -4.125 1.00 1.51 C ATOM 56 CD2 LEU A 4 -15.620 9.958 -2.733 1.00 1.29 C ATOM 0 HA LEU A 4 -16.988 7.022 -2.123 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -14.571 8.274 -1.181 1.00 0.65 H new ATOM 0 HB3 LEU A 4 -14.114 6.981 -2.272 1.00 0.65 H new ATOM 0 HG LEU A 4 -14.284 8.662 -3.785 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -16.440 8.654 -4.965 1.00 1.51 H new ATOM 0 HD12 LEU A 4 -15.927 7.015 -4.498 1.00 1.51 H new ATOM 0 HD13 LEU A 4 -17.195 7.849 -3.569 1.00 1.51 H new ATOM 0 HD21 LEU A 4 -15.814 10.596 -3.595 1.00 1.29 H new ATOM 0 HD22 LEU A 4 -16.524 9.879 -2.129 1.00 1.29 H new ATOM 0 HD23 LEU A 4 -14.820 10.392 -2.134 1.00 1.29 H new ATOM 68 N TYR A 5 -16.085 4.564 -0.601 1.00 0.60 N ATOM 69 CA TYR A 5 -15.830 3.131 -0.588 1.00 0.61 C ATOM 70 C TYR A 5 -16.138 2.581 0.795 1.00 0.58 C ATOM 71 O TYR A 5 -16.554 3.325 1.679 1.00 0.63 O ATOM 72 CB TYR A 5 -14.378 2.820 -0.978 1.00 0.60 C ATOM 73 CG TYR A 5 -13.342 3.532 -0.136 1.00 0.47 C ATOM 74 CD1 TYR A 5 -12.903 2.983 1.060 1.00 0.50 C ATOM 75 CD2 TYR A 5 -12.799 4.749 -0.540 1.00 0.43 C ATOM 76 CE1 TYR A 5 -11.953 3.623 1.833 1.00 0.48 C ATOM 77 CE2 TYR A 5 -11.846 5.397 0.229 1.00 0.34 C ATOM 78 CZ TYR A 5 -11.428 4.826 1.414 1.00 0.36 C ATOM 79 OH TYR A 5 -10.480 5.459 2.183 1.00 0.40 O ATOM 0 H TYR A 5 -16.515 4.917 0.254 1.00 0.60 H new ATOM 0 HA TYR A 5 -16.476 2.653 -1.324 1.00 0.61 H new ATOM 0 HB2 TYR A 5 -14.216 1.745 -0.901 1.00 0.60 H new ATOM 0 HB3 TYR A 5 -14.229 3.091 -2.023 1.00 0.60 H new ATOM 0 HD1 TYR A 5 -13.310 2.040 1.393 1.00 0.50 H new ATOM 0 HD2 TYR A 5 -13.126 5.195 -1.468 1.00 0.43 H new ATOM 0 HE1 TYR A 5 -11.623 3.182 2.762 1.00 0.48 H new ATOM 0 HE2 TYR A 5 -11.434 6.341 -0.096 1.00 0.34 H new ATOM 0 HH TYR A 5 -9.689 4.887 2.264 1.00 0.40 H new ATOM 89 N GLN A 6 -15.949 1.287 0.987 1.00 0.62 N ATOM 90 CA GLN A 6 -16.235 0.678 2.275 1.00 0.63 C ATOM 91 C GLN A 6 -15.075 0.852 3.245 1.00 0.59 C ATOM 92 O GLN A 6 -14.021 0.236 3.094 1.00 0.64 O ATOM 93 CB GLN A 6 -16.585 -0.794 2.098 1.00 0.78 C ATOM 94 CG GLN A 6 -18.041 -0.989 1.715 1.00 1.57 C ATOM 95 CD GLN A 6 -18.230 -1.217 0.228 1.00 1.64 C ATOM 96 OE1 GLN A 6 -19.160 -1.903 -0.196 1.00 2.13 O ATOM 97 NE2 GLN A 6 -17.342 -0.639 -0.571 1.00 1.48 N ATOM 0 H GLN A 6 -15.602 0.643 0.276 1.00 0.62 H new ATOM 0 HA GLN A 6 -17.096 1.189 2.706 1.00 0.63 H new ATOM 0 HB2 GLN A 6 -15.946 -1.229 1.329 1.00 0.78 H new ATOM 0 HB3 GLN A 6 -16.379 -1.330 3.024 1.00 0.78 H new ATOM 0 HG2 GLN A 6 -18.446 -1.840 2.263 1.00 1.57 H new ATOM 0 HG3 GLN A 6 -18.613 -0.113 2.020 1.00 1.57 H new ATOM 0 HE21 GLN A 6 -16.587 -0.079 -0.174 1.00 1.48 H new ATOM 0 HE22 GLN A 6 -17.414 -0.755 -1.582 1.00 1.48 H new ATOM 106 N LEU A 7 -15.285 1.713 4.236 1.00 0.61 N ATOM 107 CA LEU A 7 -14.269 1.996 5.240 1.00 0.62 C ATOM 108 C LEU A 7 -13.917 0.750 6.039 1.00 0.65 C ATOM 109 O LEU A 7 -14.629 0.371 6.969 1.00 0.72 O ATOM 110 CB LEU A 7 -14.747 3.100 6.182 1.00 0.67 C ATOM 111 CG LEU A 7 -13.751 4.240 6.397 1.00 0.84 C ATOM 112 CD1 LEU A 7 -14.441 5.584 6.248 1.00 1.39 C ATOM 113 CD2 LEU A 7 -13.098 4.129 7.765 1.00 1.14 C ATOM 0 H LEU A 7 -16.156 2.229 4.364 1.00 0.61 H new ATOM 0 HA LEU A 7 -13.372 2.331 4.719 1.00 0.62 H new ATOM 0 HB2 LEU A 7 -15.674 3.517 5.789 1.00 0.67 H new ATOM 0 HB3 LEU A 7 -14.982 2.656 7.149 1.00 0.67 H new ATOM 0 HG LEU A 7 -12.974 4.163 5.637 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -13.717 6.384 6.404 1.00 1.39 H new ATOM 0 HD12 LEU A 7 -14.863 5.667 5.247 1.00 1.39 H new ATOM 0 HD13 LEU A 7 -15.239 5.667 6.986 1.00 1.39 H new ATOM 0 HD21 LEU A 7 -12.393 4.949 7.899 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -13.864 4.179 8.539 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -12.568 3.179 7.839 1.00 1.14 H new ATOM 125 N GLU A 8 -12.804 0.128 5.675 1.00 0.63 N ATOM 126 CA GLU A 8 -12.332 -1.067 6.354 1.00 0.66 C ATOM 127 C GLU A 8 -11.056 -0.753 7.139 1.00 0.77 C ATOM 128 O GLU A 8 -11.127 -0.359 8.304 1.00 1.39 O ATOM 129 CB GLU A 8 -12.102 -2.186 5.339 1.00 0.71 C ATOM 130 CG GLU A 8 -11.970 -3.551 5.984 1.00 1.04 C ATOM 131 CD GLU A 8 -13.061 -3.820 7.005 1.00 2.09 C ATOM 132 OE1 GLU A 8 -14.248 -3.837 6.617 1.00 2.54 O ATOM 133 OE2 GLU A 8 -12.729 -4.010 8.193 1.00 2.77 O ATOM 0 H GLU A 8 -12.208 0.436 4.907 1.00 0.63 H new ATOM 0 HA GLU A 8 -13.088 -1.405 7.063 1.00 0.66 H new ATOM 0 HB2 GLU A 8 -12.931 -2.203 4.631 1.00 0.71 H new ATOM 0 HB3 GLU A 8 -11.199 -1.971 4.768 1.00 0.71 H new ATOM 0 HG2 GLU A 8 -12.003 -4.319 5.211 1.00 1.04 H new ATOM 0 HG3 GLU A 8 -10.997 -3.628 6.469 1.00 1.04 H new ATOM 140 N LYS A 9 -9.894 -0.903 6.499 1.00 0.59 N ATOM 141 CA LYS A 9 -8.613 -0.609 7.144 1.00 0.58 C ATOM 142 C LYS A 9 -8.392 -1.459 8.399 1.00 0.56 C ATOM 143 O LYS A 9 -7.367 -1.332 9.070 1.00 0.81 O ATOM 144 CB LYS A 9 -8.539 0.879 7.494 1.00 0.73 C ATOM 145 CG LYS A 9 -8.898 1.793 6.331 1.00 0.87 C ATOM 146 CD LYS A 9 -10.254 2.449 6.528 1.00 1.08 C ATOM 147 CE LYS A 9 -10.926 2.734 5.194 1.00 0.77 C ATOM 148 NZ LYS A 9 -10.360 3.940 4.533 1.00 1.54 N ATOM 0 H LYS A 9 -9.814 -1.226 5.535 1.00 0.59 H new ATOM 0 HA LYS A 9 -7.821 -0.860 6.439 1.00 0.58 H new ATOM 0 HB2 LYS A 9 -9.212 1.082 8.327 1.00 0.73 H new ATOM 0 HB3 LYS A 9 -7.531 1.115 7.834 1.00 0.73 H new ATOM 0 HG2 LYS A 9 -8.134 2.563 6.224 1.00 0.87 H new ATOM 0 HG3 LYS A 9 -8.903 1.218 5.405 1.00 0.87 H new ATOM 0 HD2 LYS A 9 -10.891 1.799 7.128 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -10.134 3.379 7.084 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -10.809 1.872 4.537 1.00 0.77 H new ATOM 0 HE3 LYS A 9 -11.996 2.874 5.349 1.00 0.77 H new ATOM 0 HZ1 LYS A 9 -10.970 4.219 3.738 1.00 1.54 H new ATOM 0 HZ2 LYS A 9 -10.308 4.720 5.219 1.00 1.54 H new ATOM 0 HZ3 LYS A 9 -9.406 3.726 4.179 1.00 1.54 H new ATOM 162 N GLU A 10 -9.354 -2.320 8.709 1.00 0.60 N ATOM 163 CA GLU A 10 -9.273 -3.191 9.876 1.00 0.56 C ATOM 164 C GLU A 10 -9.794 -4.585 9.516 1.00 0.84 C ATOM 165 O GLU A 10 -10.286 -4.783 8.405 1.00 1.40 O ATOM 166 CB GLU A 10 -10.089 -2.590 11.021 1.00 0.88 C ATOM 167 CG GLU A 10 -11.525 -2.296 10.640 1.00 1.68 C ATOM 168 CD GLU A 10 -12.266 -1.521 11.712 1.00 2.35 C ATOM 169 OE1 GLU A 10 -11.805 -0.418 12.074 1.00 2.80 O ATOM 170 OE2 GLU A 10 -13.306 -2.018 12.191 1.00 2.78 O ATOM 0 H GLU A 10 -10.208 -2.434 8.162 1.00 0.60 H new ATOM 0 HA GLU A 10 -8.235 -3.280 10.196 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -10.078 -3.278 11.867 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -9.612 -1.668 11.354 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -11.541 -1.728 9.710 1.00 1.68 H new ATOM 0 HG3 GLU A 10 -12.046 -3.234 10.450 1.00 1.68 H new ATOM 177 N PRO A 11 -9.702 -5.574 10.433 1.00 1.07 N ATOM 178 CA PRO A 11 -10.179 -6.934 10.179 1.00 1.42 C ATOM 179 C PRO A 11 -11.490 -6.946 9.409 1.00 0.83 C ATOM 180 O PRO A 11 -12.485 -6.365 9.844 1.00 0.59 O ATOM 181 CB PRO A 11 -10.383 -7.519 11.584 1.00 2.13 C ATOM 182 CG PRO A 11 -10.015 -6.426 12.542 1.00 2.29 C ATOM 183 CD PRO A 11 -9.142 -5.473 11.780 1.00 1.67 C ATOM 0 HA PRO A 11 -9.477 -7.501 9.568 1.00 1.42 H new ATOM 0 HB2 PRO A 11 -11.416 -7.834 11.729 1.00 2.13 H new ATOM 0 HB3 PRO A 11 -9.757 -8.398 11.736 1.00 2.13 H new ATOM 0 HG2 PRO A 11 -10.906 -5.922 12.917 1.00 2.29 H new ATOM 0 HG3 PRO A 11 -9.488 -6.829 13.407 1.00 2.29 H new ATOM 0 HD2 PRO A 11 -9.202 -4.458 12.174 1.00 1.67 H new ATOM 0 HD3 PRO A 11 -8.092 -5.765 11.810 1.00 1.67 H new ATOM 191 N ILE A 12 -11.481 -7.601 8.258 1.00 0.86 N ATOM 192 CA ILE A 12 -12.665 -7.679 7.417 1.00 0.54 C ATOM 193 C ILE A 12 -13.482 -8.927 7.724 1.00 0.79 C ATOM 194 O ILE A 12 -12.930 -9.983 8.039 1.00 1.12 O ATOM 195 CB ILE A 12 -12.285 -7.695 5.928 1.00 0.51 C ATOM 196 CG1 ILE A 12 -11.145 -6.711 5.674 1.00 0.66 C ATOM 197 CG2 ILE A 12 -13.496 -7.360 5.069 1.00 0.49 C ATOM 198 CD1 ILE A 12 -10.620 -6.737 4.257 1.00 0.53 C ATOM 0 H ILE A 12 -10.665 -8.087 7.885 1.00 0.86 H new ATOM 0 HA ILE A 12 -13.263 -6.794 7.633 1.00 0.54 H new ATOM 0 HB ILE A 12 -11.946 -8.695 5.656 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -11.489 -5.703 5.905 1.00 0.66 H new ATOM 0 HG13 ILE A 12 -10.327 -6.933 6.359 1.00 0.66 H new ATOM 0 HG21 ILE A 12 -13.211 -7.375 4.017 1.00 0.49 H new ATOM 0 HG22 ILE A 12 -14.281 -8.096 5.243 1.00 0.49 H new ATOM 0 HG23 ILE A 12 -13.865 -6.368 5.331 1.00 0.49 H new ATOM 0 HD11 ILE A 12 -9.813 -6.012 4.155 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -10.244 -7.734 4.027 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -11.424 -6.484 3.566 1.00 0.53 H new ATOM 210 N VAL A 13 -14.799 -8.798 7.619 1.00 1.03 N ATOM 211 CA VAL A 13 -15.711 -9.908 7.871 1.00 1.51 C ATOM 212 C VAL A 13 -15.307 -11.147 7.069 1.00 1.29 C ATOM 213 O VAL A 13 -15.508 -12.278 7.513 1.00 1.43 O ATOM 214 CB VAL A 13 -17.161 -9.521 7.516 1.00 2.06 C ATOM 215 CG1 VAL A 13 -17.234 -8.974 6.099 1.00 2.23 C ATOM 216 CG2 VAL A 13 -18.098 -10.708 7.686 1.00 3.06 C ATOM 0 H VAL A 13 -15.263 -7.928 7.359 1.00 1.03 H new ATOM 0 HA VAL A 13 -15.653 -10.140 8.934 1.00 1.51 H new ATOM 0 HB VAL A 13 -17.483 -8.739 8.203 1.00 2.06 H new ATOM 0 HG11 VAL A 13 -18.264 -8.706 5.865 1.00 2.23 H new ATOM 0 HG12 VAL A 13 -16.602 -8.090 6.017 1.00 2.23 H new ATOM 0 HG13 VAL A 13 -16.889 -9.733 5.398 1.00 2.23 H new ATOM 0 HG21 VAL A 13 -19.114 -10.409 7.429 1.00 3.06 H new ATOM 0 HG22 VAL A 13 -17.782 -11.518 7.029 1.00 3.06 H new ATOM 0 HG23 VAL A 13 -18.070 -11.048 8.721 1.00 3.06 H new ATOM 226 N GLY A 14 -14.734 -10.925 5.889 1.00 0.97 N ATOM 227 CA GLY A 14 -14.310 -12.032 5.047 1.00 0.77 C ATOM 228 C GLY A 14 -13.915 -11.585 3.653 1.00 0.71 C ATOM 229 O GLY A 14 -14.694 -11.717 2.708 1.00 1.03 O ATOM 0 H GLY A 14 -14.556 -9.999 5.500 1.00 0.97 H new ATOM 0 HA2 GLY A 14 -13.466 -12.538 5.516 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -15.118 -12.760 4.976 1.00 0.77 H new ATOM 233 N ALA A 15 -12.708 -11.042 3.527 1.00 0.38 N ATOM 234 CA ALA A 15 -12.215 -10.559 2.242 1.00 0.34 C ATOM 235 C ALA A 15 -10.895 -11.225 1.844 1.00 0.32 C ATOM 236 O ALA A 15 -10.181 -11.775 2.683 1.00 0.36 O ATOM 237 CB ALA A 15 -12.040 -9.053 2.304 1.00 0.39 C ATOM 0 H ALA A 15 -12.053 -10.925 4.300 1.00 0.38 H new ATOM 0 HA ALA A 15 -12.950 -10.819 1.481 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -11.672 -8.690 1.345 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -12.999 -8.584 2.526 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -11.324 -8.802 3.086 1.00 0.39 H new ATOM 243 N GLU A 16 -10.580 -11.147 0.552 1.00 0.33 N ATOM 244 CA GLU A 16 -9.348 -11.711 -0.003 1.00 0.39 C ATOM 245 C GLU A 16 -8.118 -11.131 0.692 1.00 0.31 C ATOM 246 O GLU A 16 -8.153 -10.004 1.166 1.00 0.33 O ATOM 247 CB GLU A 16 -9.275 -11.446 -1.508 1.00 0.56 C ATOM 248 CG GLU A 16 -8.832 -12.656 -2.314 1.00 0.84 C ATOM 249 CD GLU A 16 -9.958 -13.643 -2.557 1.00 1.22 C ATOM 250 OE1 GLU A 16 -10.872 -13.726 -1.709 1.00 2.01 O ATOM 251 OE2 GLU A 16 -9.926 -14.335 -3.597 1.00 1.43 O ATOM 0 H GLU A 16 -11.172 -10.690 -0.142 1.00 0.33 H new ATOM 0 HA GLU A 16 -9.361 -12.787 0.169 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -10.255 -11.123 -1.860 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -8.583 -10.624 -1.691 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -8.434 -12.323 -3.272 1.00 0.84 H new ATOM 0 HG3 GLU A 16 -8.020 -13.160 -1.789 1.00 0.84 H new ATOM 258 N THR A 17 -7.039 -11.908 0.765 1.00 0.37 N ATOM 259 CA THR A 17 -5.812 -11.452 1.414 1.00 0.32 C ATOM 260 C THR A 17 -4.772 -11.036 0.383 1.00 0.26 C ATOM 261 O THR A 17 -4.473 -11.768 -0.570 1.00 0.29 O ATOM 262 CB THR A 17 -5.204 -12.516 2.346 1.00 0.41 C ATOM 263 OG1 THR A 17 -4.427 -13.452 1.587 1.00 0.54 O ATOM 264 CG2 THR A 17 -6.292 -13.253 3.113 1.00 0.51 C ATOM 0 H THR A 17 -6.990 -12.853 0.384 1.00 0.37 H new ATOM 0 HA THR A 17 -6.093 -10.592 2.022 1.00 0.32 H new ATOM 0 HB THR A 17 -4.558 -12.009 3.063 1.00 0.41 H new ATOM 0 HG1 THR A 17 -4.256 -13.087 0.694 1.00 0.54 H new ATOM 0 HG21 THR A 17 -5.836 -13.999 3.764 1.00 0.51 H new ATOM 0 HG22 THR A 17 -6.858 -12.542 3.716 1.00 0.51 H new ATOM 0 HG23 THR A 17 -6.963 -13.746 2.409 1.00 0.51 H new ATOM 272 N PHE A 18 -4.244 -9.836 0.578 1.00 0.27 N ATOM 273 CA PHE A 18 -3.260 -9.274 -0.328 1.00 0.25 C ATOM 274 C PHE A 18 -2.073 -8.679 0.437 1.00 0.29 C ATOM 275 O PHE A 18 -2.190 -8.310 1.607 1.00 0.59 O ATOM 276 CB PHE A 18 -3.921 -8.189 -1.175 1.00 0.32 C ATOM 277 CG PHE A 18 -4.694 -8.695 -2.362 1.00 0.24 C ATOM 278 CD1 PHE A 18 -5.680 -9.658 -2.219 1.00 0.24 C ATOM 279 CD2 PHE A 18 -4.433 -8.195 -3.625 1.00 0.38 C ATOM 280 CE1 PHE A 18 -6.392 -10.112 -3.312 1.00 0.35 C ATOM 281 CE2 PHE A 18 -5.140 -8.644 -4.722 1.00 0.46 C ATOM 282 CZ PHE A 18 -6.122 -9.604 -4.566 1.00 0.41 C ATOM 0 H PHE A 18 -4.485 -9.231 1.363 1.00 0.27 H new ATOM 0 HA PHE A 18 -2.882 -10.073 -0.967 1.00 0.25 H new ATOM 0 HB2 PHE A 18 -4.594 -7.613 -0.540 1.00 0.32 H new ATOM 0 HB3 PHE A 18 -3.150 -7.503 -1.527 1.00 0.32 H new ATOM 0 HD1 PHE A 18 -5.895 -10.059 -1.239 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -3.667 -7.445 -3.754 1.00 0.38 H new ATOM 0 HE1 PHE A 18 -7.158 -10.863 -3.185 1.00 0.35 H new ATOM 0 HE2 PHE A 18 -4.926 -8.245 -5.703 1.00 0.46 H new ATOM 0 HZ PHE A 18 -6.677 -9.956 -5.423 1.00 0.41 H new ATOM 292 N TYR A 19 -0.933 -8.588 -0.239 1.00 0.25 N ATOM 293 CA TYR A 19 0.278 -8.040 0.364 1.00 0.28 C ATOM 294 C TYR A 19 0.732 -6.788 -0.372 1.00 0.22 C ATOM 295 O TYR A 19 0.517 -6.659 -1.574 1.00 0.22 O ATOM 296 CB TYR A 19 1.387 -9.098 0.340 1.00 0.41 C ATOM 297 CG TYR A 19 2.809 -8.552 0.251 1.00 1.21 C ATOM 298 CD1 TYR A 19 3.287 -7.927 -0.907 1.00 1.64 C ATOM 299 CD2 TYR A 19 3.681 -8.686 1.323 1.00 1.92 C ATOM 300 CE1 TYR A 19 4.585 -7.458 -0.978 1.00 2.74 C ATOM 301 CE2 TYR A 19 4.978 -8.215 1.255 1.00 3.01 C ATOM 302 CZ TYR A 19 5.424 -7.604 0.104 1.00 3.40 C ATOM 303 OH TYR A 19 6.717 -7.137 0.033 1.00 4.52 O ATOM 0 H TYR A 19 -0.821 -8.887 -1.208 1.00 0.25 H new ATOM 0 HA TYR A 19 0.061 -7.765 1.396 1.00 0.28 H new ATOM 0 HB2 TYR A 19 1.305 -9.707 1.241 1.00 0.41 H new ATOM 0 HB3 TYR A 19 1.216 -9.760 -0.509 1.00 0.41 H new ATOM 0 HD1 TYR A 19 2.632 -7.810 -1.757 1.00 1.64 H new ATOM 0 HD2 TYR A 19 3.339 -9.168 2.227 1.00 1.92 H new ATOM 0 HE1 TYR A 19 4.940 -6.979 -1.879 1.00 2.74 H new ATOM 0 HE2 TYR A 19 5.640 -8.326 2.101 1.00 3.01 H new ATOM 0 HH TYR A 19 7.177 -7.317 0.880 1.00 4.52 H new ATOM 313 N VAL A 20 1.390 -5.884 0.353 1.00 0.22 N ATOM 314 CA VAL A 20 1.903 -4.654 -0.239 1.00 0.22 C ATOM 315 C VAL A 20 3.088 -4.114 0.553 1.00 0.23 C ATOM 316 O VAL A 20 2.974 -3.841 1.748 1.00 0.26 O ATOM 317 CB VAL A 20 0.826 -3.557 -0.332 1.00 0.32 C ATOM 318 CG1 VAL A 20 0.647 -3.126 -1.769 1.00 0.87 C ATOM 319 CG2 VAL A 20 -0.495 -4.022 0.261 1.00 0.93 C ATOM 0 H VAL A 20 1.579 -5.982 1.350 1.00 0.22 H new ATOM 0 HA VAL A 20 2.222 -4.914 -1.248 1.00 0.22 H new ATOM 0 HB VAL A 20 1.162 -2.701 0.253 1.00 0.32 H new ATOM 0 HG11 VAL A 20 -0.117 -2.350 -1.824 1.00 0.87 H new ATOM 0 HG12 VAL A 20 1.590 -2.735 -2.152 1.00 0.87 H new ATOM 0 HG13 VAL A 20 0.339 -3.982 -2.370 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -1.232 -3.223 0.179 1.00 0.93 H new ATOM 0 HG22 VAL A 20 -0.848 -4.899 -0.281 1.00 0.93 H new ATOM 0 HG23 VAL A 20 -0.353 -4.277 1.311 1.00 0.93 H new ATOM 329 N ASP A 21 4.225 -3.956 -0.119 1.00 0.22 N ATOM 330 CA ASP A 21 5.427 -3.440 0.526 1.00 0.25 C ATOM 331 C ASP A 21 6.489 -3.063 -0.505 1.00 0.23 C ATOM 332 O ASP A 21 6.806 -3.845 -1.404 1.00 0.25 O ATOM 333 CB ASP A 21 5.997 -4.474 1.503 1.00 0.28 C ATOM 334 CG ASP A 21 7.378 -4.096 2.002 1.00 0.30 C ATOM 335 OD1 ASP A 21 7.492 -3.085 2.727 1.00 0.37 O ATOM 336 OD2 ASP A 21 8.345 -4.810 1.666 1.00 0.38 O ATOM 0 H ASP A 21 4.338 -4.178 -1.108 1.00 0.22 H new ATOM 0 HA ASP A 21 5.148 -2.542 1.077 1.00 0.25 H new ATOM 0 HB2 ASP A 21 5.322 -4.578 2.353 1.00 0.28 H new ATOM 0 HB3 ASP A 21 6.044 -5.446 1.013 1.00 0.28 H new ATOM 341 N GLY A 22 7.037 -1.860 -0.362 1.00 0.22 N ATOM 342 CA GLY A 22 8.062 -1.393 -1.275 1.00 0.24 C ATOM 343 C GLY A 22 9.192 -0.684 -0.551 1.00 0.35 C ATOM 344 O GLY A 22 8.973 -0.047 0.478 1.00 0.42 O ATOM 0 H GLY A 22 6.787 -1.199 0.373 1.00 0.22 H new ATOM 0 HA2 GLY A 22 8.464 -2.240 -1.832 1.00 0.24 H new ATOM 0 HA3 GLY A 22 7.617 -0.715 -2.003 1.00 0.24 H new ATOM 348 N ALA A 23 10.402 -0.794 -1.092 1.00 0.39 N ATOM 349 CA ALA A 23 11.567 -0.158 -0.488 1.00 0.49 C ATOM 350 C ALA A 23 12.151 0.893 -1.416 1.00 0.50 C ATOM 351 O ALA A 23 12.667 0.577 -2.486 1.00 0.49 O ATOM 352 CB ALA A 23 12.616 -1.202 -0.140 1.00 0.57 C ATOM 0 H ALA A 23 10.600 -1.316 -1.945 1.00 0.39 H new ATOM 0 HA ALA A 23 11.250 0.338 0.429 1.00 0.49 H new ATOM 0 HB1 ALA A 23 13.480 -0.713 0.310 1.00 0.57 H new ATOM 0 HB2 ALA A 23 12.196 -1.919 0.566 1.00 0.57 H new ATOM 0 HB3 ALA A 23 12.925 -1.723 -1.046 1.00 0.57 H new ATOM 358 N ALA A 24 12.068 2.142 -0.984 1.00 0.53 N ATOM 359 CA ALA A 24 12.581 3.263 -1.744 1.00 0.55 C ATOM 360 C ALA A 24 13.212 4.279 -0.806 1.00 0.64 C ATOM 361 O ALA A 24 12.567 4.749 0.132 1.00 0.80 O ATOM 362 CB ALA A 24 11.464 3.904 -2.551 1.00 0.49 C ATOM 0 H ALA A 24 11.642 2.403 -0.095 1.00 0.53 H new ATOM 0 HA ALA A 24 13.344 2.905 -2.435 1.00 0.55 H new ATOM 0 HB1 ALA A 24 11.862 4.746 -3.118 1.00 0.49 H new ATOM 0 HB2 ALA A 24 11.044 3.169 -3.238 1.00 0.49 H new ATOM 0 HB3 ALA A 24 10.684 4.257 -1.876 1.00 0.49 H new ATOM 368 N ASN A 25 14.473 4.604 -1.053 1.00 0.61 N ATOM 369 CA ASN A 25 15.187 5.556 -0.216 1.00 0.69 C ATOM 370 C ASN A 25 14.380 6.840 -0.041 1.00 0.69 C ATOM 371 O ASN A 25 14.177 7.593 -0.989 1.00 0.69 O ATOM 372 CB ASN A 25 16.555 5.871 -0.819 1.00 0.77 C ATOM 373 CG ASN A 25 17.514 6.458 0.198 1.00 0.68 C ATOM 374 OD1 ASN A 25 18.528 5.848 0.537 1.00 0.67 O ATOM 375 ND2 ASN A 25 17.197 7.649 0.692 1.00 1.09 N ATOM 0 H ASN A 25 15.021 4.223 -1.824 1.00 0.61 H new ATOM 0 HA ASN A 25 15.329 5.105 0.766 1.00 0.69 H new ATOM 0 HB2 ASN A 25 16.984 4.959 -1.235 1.00 0.77 H new ATOM 0 HB3 ASN A 25 16.432 6.571 -1.645 1.00 0.77 H new ATOM 0 HD21 ASN A 25 17.804 8.094 1.381 1.00 1.09 H new ATOM 0 HD22 ASN A 25 16.346 8.119 0.383 1.00 1.09 H new ATOM 382 N ARG A 26 13.917 7.065 1.183 1.00 0.73 N ATOM 383 CA ARG A 26 13.117 8.241 1.515 1.00 0.77 C ATOM 384 C ARG A 26 13.890 9.534 1.308 1.00 0.82 C ATOM 385 O ARG A 26 13.395 10.476 0.690 1.00 0.79 O ATOM 386 CB ARG A 26 12.686 8.168 2.971 1.00 0.87 C ATOM 387 CG ARG A 26 11.387 8.895 3.249 1.00 0.94 C ATOM 388 CD ARG A 26 11.565 10.403 3.242 1.00 1.30 C ATOM 389 NE ARG A 26 12.841 10.815 3.822 1.00 1.57 N ATOM 390 CZ ARG A 26 13.234 12.082 3.918 1.00 2.15 C ATOM 391 NH1 ARG A 26 12.453 13.058 3.478 1.00 2.86 N ATOM 392 NH2 ARG A 26 14.412 12.373 4.455 1.00 2.52 N ATOM 0 H ARG A 26 14.084 6.440 1.972 1.00 0.73 H new ATOM 0 HA ARG A 26 12.253 8.244 0.850 1.00 0.77 H new ATOM 0 HB2 ARG A 26 12.578 7.122 3.258 1.00 0.87 H new ATOM 0 HB3 ARG A 26 13.472 8.591 3.597 1.00 0.87 H new ATOM 0 HG2 ARG A 26 10.647 8.614 2.500 1.00 0.94 H new ATOM 0 HG3 ARG A 26 10.996 8.581 4.217 1.00 0.94 H new ATOM 0 HD2 ARG A 26 11.499 10.769 2.217 1.00 1.30 H new ATOM 0 HD3 ARG A 26 10.750 10.865 3.799 1.00 1.30 H new ATOM 0 HE ARG A 26 13.466 10.090 4.173 1.00 1.57 H new ATOM 0 HH11 ARG A 26 11.547 12.839 3.064 1.00 2.86 H new ATOM 0 HH12 ARG A 26 12.758 14.028 3.553 1.00 2.86 H new ATOM 0 HH21 ARG A 26 15.017 11.625 4.794 1.00 2.52 H new ATOM 0 HH22 ARG A 26 14.713 13.345 4.528 1.00 2.52 H new ATOM 406 N GLU A 27 15.093 9.574 1.862 1.00 0.93 N ATOM 407 CA GLU A 27 15.949 10.747 1.781 1.00 1.02 C ATOM 408 C GLU A 27 16.048 11.263 0.352 1.00 0.90 C ATOM 409 O GLU A 27 16.355 12.432 0.119 1.00 0.94 O ATOM 410 CB GLU A 27 17.337 10.391 2.306 1.00 1.15 C ATOM 411 CG GLU A 27 18.375 11.487 2.111 1.00 1.36 C ATOM 412 CD GLU A 27 19.546 11.360 3.067 1.00 1.99 C ATOM 413 OE1 GLU A 27 19.314 11.051 4.254 1.00 2.44 O ATOM 414 OE2 GLU A 27 20.696 11.572 2.627 1.00 2.44 O ATOM 0 H GLU A 27 15.502 8.796 2.379 1.00 0.93 H new ATOM 0 HA GLU A 27 15.513 11.539 2.390 1.00 1.02 H new ATOM 0 HB2 GLU A 27 17.264 10.160 3.369 1.00 1.15 H new ATOM 0 HB3 GLU A 27 17.682 9.486 1.806 1.00 1.15 H new ATOM 0 HG2 GLU A 27 18.743 11.455 1.086 1.00 1.36 H new ATOM 0 HG3 GLU A 27 17.902 12.459 2.250 1.00 1.36 H new ATOM 421 N THR A 28 15.791 10.378 -0.597 1.00 0.79 N ATOM 422 CA THR A 28 15.856 10.727 -2.004 1.00 0.69 C ATOM 423 C THR A 28 14.521 10.471 -2.698 1.00 0.56 C ATOM 424 O THR A 28 14.344 10.806 -3.869 1.00 0.49 O ATOM 425 CB THR A 28 16.959 9.917 -2.703 1.00 0.75 C ATOM 426 OG1 THR A 28 18.102 9.808 -1.845 1.00 1.41 O ATOM 427 CG2 THR A 28 17.366 10.570 -4.010 1.00 1.35 C ATOM 0 H THR A 28 15.534 9.408 -0.416 1.00 0.79 H new ATOM 0 HA THR A 28 16.085 11.790 -2.072 1.00 0.69 H new ATOM 0 HB THR A 28 16.567 8.923 -2.919 1.00 0.75 H new ATOM 0 HG1 THR A 28 18.801 9.289 -2.295 1.00 1.41 H new ATOM 0 HG21 THR A 28 18.148 9.977 -4.485 1.00 1.35 H new ATOM 0 HG22 THR A 28 16.502 10.628 -4.672 1.00 1.35 H new ATOM 0 HG23 THR A 28 17.741 11.574 -3.814 1.00 1.35 H new ATOM 435 N LYS A 29 13.588 9.867 -1.962 1.00 0.54 N ATOM 436 CA LYS A 29 12.266 9.549 -2.495 1.00 0.46 C ATOM 437 C LYS A 29 12.386 8.823 -3.828 1.00 0.37 C ATOM 438 O LYS A 29 12.074 9.377 -4.883 1.00 0.44 O ATOM 439 CB LYS A 29 11.428 10.818 -2.659 1.00 0.51 C ATOM 440 CG LYS A 29 11.216 11.575 -1.358 1.00 0.67 C ATOM 441 CD LYS A 29 11.931 12.916 -1.373 1.00 1.02 C ATOM 442 CE LYS A 29 12.301 13.364 0.031 1.00 1.39 C ATOM 443 NZ LYS A 29 11.120 13.883 0.774 1.00 1.56 N ATOM 0 H LYS A 29 13.726 9.588 -0.991 1.00 0.54 H new ATOM 0 HA LYS A 29 11.764 8.892 -1.784 1.00 0.46 H new ATOM 0 HB2 LYS A 29 11.916 11.476 -3.378 1.00 0.51 H new ATOM 0 HB3 LYS A 29 10.458 10.552 -3.078 1.00 0.51 H new ATOM 0 HG2 LYS A 29 10.150 11.732 -1.196 1.00 0.67 H new ATOM 0 HG3 LYS A 29 11.580 10.976 -0.523 1.00 0.67 H new ATOM 0 HD2 LYS A 29 12.832 12.843 -1.982 1.00 1.02 H new ATOM 0 HD3 LYS A 29 11.291 13.666 -1.839 1.00 1.02 H new ATOM 0 HE2 LYS A 29 12.735 12.527 0.577 1.00 1.39 H new ATOM 0 HE3 LYS A 29 13.065 14.139 -0.024 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 11.441 14.435 1.595 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 10.555 14.491 0.147 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 10.537 13.086 1.100 1.00 1.56 H new ATOM 457 N LEU A 30 12.852 7.581 -3.769 1.00 0.43 N ATOM 458 CA LEU A 30 13.032 6.768 -4.966 1.00 0.37 C ATOM 459 C LEU A 30 13.414 5.343 -4.592 1.00 0.38 C ATOM 460 O LEU A 30 14.061 5.113 -3.573 1.00 0.44 O ATOM 461 CB LEU A 30 14.115 7.384 -5.864 1.00 0.42 C ATOM 462 CG LEU A 30 14.847 6.404 -6.787 1.00 0.48 C ATOM 463 CD1 LEU A 30 15.368 7.126 -8.020 1.00 0.52 C ATOM 464 CD2 LEU A 30 15.988 5.717 -6.044 1.00 0.68 C ATOM 0 H LEU A 30 13.113 7.113 -2.901 1.00 0.43 H new ATOM 0 HA LEU A 30 12.089 6.743 -5.512 1.00 0.37 H new ATOM 0 HB2 LEU A 30 13.655 8.159 -6.478 1.00 0.42 H new ATOM 0 HB3 LEU A 30 14.852 7.876 -5.229 1.00 0.42 H new ATOM 0 HG LEU A 30 14.140 5.639 -7.108 1.00 0.48 H new ATOM 0 HD11 LEU A 30 15.885 6.416 -8.666 1.00 0.52 H new ATOM 0 HD12 LEU A 30 14.533 7.568 -8.563 1.00 0.52 H new ATOM 0 HD13 LEU A 30 16.060 7.912 -7.716 1.00 0.52 H new ATOM 0 HD21 LEU A 30 16.495 5.025 -6.716 1.00 0.68 H new ATOM 0 HD22 LEU A 30 16.697 6.467 -5.692 1.00 0.68 H new ATOM 0 HD23 LEU A 30 15.588 5.167 -5.192 1.00 0.68 H new ATOM 476 N GLY A 31 13.024 4.390 -5.432 1.00 0.34 N ATOM 477 CA GLY A 31 13.348 3.002 -5.174 1.00 0.37 C ATOM 478 C GLY A 31 12.381 2.048 -5.839 1.00 0.30 C ATOM 479 O GLY A 31 11.954 2.278 -6.968 1.00 0.27 O ATOM 0 H GLY A 31 12.490 4.555 -6.285 1.00 0.34 H new ATOM 0 HA2 GLY A 31 14.358 2.796 -5.528 1.00 0.37 H new ATOM 0 HA3 GLY A 31 13.346 2.826 -4.098 1.00 0.37 H new ATOM 483 N LYS A 32 12.043 0.972 -5.137 1.00 0.30 N ATOM 484 CA LYS A 32 11.125 -0.031 -5.663 1.00 0.24 C ATOM 485 C LYS A 32 9.886 -0.167 -4.788 1.00 0.19 C ATOM 486 O LYS A 32 9.873 0.262 -3.632 1.00 0.23 O ATOM 487 CB LYS A 32 11.819 -1.391 -5.760 1.00 0.28 C ATOM 488 CG LYS A 32 13.304 -1.302 -6.078 1.00 0.56 C ATOM 489 CD LYS A 32 14.156 -1.529 -4.839 1.00 0.95 C ATOM 490 CE LYS A 32 14.192 -2.997 -4.441 1.00 1.44 C ATOM 491 NZ LYS A 32 15.410 -3.684 -4.953 1.00 2.12 N ATOM 0 H LYS A 32 12.392 0.772 -4.200 1.00 0.30 H new ATOM 0 HA LYS A 32 10.818 0.299 -6.655 1.00 0.24 H new ATOM 0 HB2 LYS A 32 11.690 -1.922 -4.817 1.00 0.28 H new ATOM 0 HB3 LYS A 32 11.327 -1.985 -6.530 1.00 0.28 H new ATOM 0 HG2 LYS A 32 13.559 -2.042 -6.836 1.00 0.56 H new ATOM 0 HG3 LYS A 32 13.528 -0.322 -6.500 1.00 0.56 H new ATOM 0 HD2 LYS A 32 15.171 -1.178 -5.026 1.00 0.95 H new ATOM 0 HD3 LYS A 32 13.761 -0.938 -4.013 1.00 0.95 H new ATOM 0 HE2 LYS A 32 14.159 -3.079 -3.355 1.00 1.44 H new ATOM 0 HE3 LYS A 32 13.304 -3.499 -4.826 1.00 1.44 H new ATOM 0 HZ1 LYS A 32 15.395 -4.682 -4.660 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 15.429 -3.629 -5.991 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 16.258 -3.222 -4.566 1.00 2.12 H new ATOM 505 N ALA A 33 8.852 -0.786 -5.347 1.00 0.16 N ATOM 506 CA ALA A 33 7.603 -1.009 -4.630 1.00 0.14 C ATOM 507 C ALA A 33 6.749 -2.033 -5.362 1.00 0.14 C ATOM 508 O ALA A 33 6.356 -1.819 -6.506 1.00 0.15 O ATOM 509 CB ALA A 33 6.839 0.293 -4.465 1.00 0.16 C ATOM 0 H ALA A 33 8.856 -1.144 -6.302 1.00 0.16 H new ATOM 0 HA ALA A 33 7.841 -1.396 -3.639 1.00 0.14 H new ATOM 0 HB1 ALA A 33 5.910 0.104 -3.927 1.00 0.16 H new ATOM 0 HB2 ALA A 33 7.446 1.002 -3.902 1.00 0.16 H new ATOM 0 HB3 ALA A 33 6.612 0.709 -5.447 1.00 0.16 H new ATOM 515 N GLY A 34 6.466 -3.148 -4.701 1.00 0.17 N ATOM 516 CA GLY A 34 5.664 -4.180 -5.326 1.00 0.20 C ATOM 517 C GLY A 34 4.638 -4.770 -4.395 1.00 0.25 C ATOM 518 O GLY A 34 4.363 -4.221 -3.328 1.00 0.35 O ATOM 0 H GLY A 34 6.775 -3.355 -3.751 1.00 0.17 H new ATOM 0 HA2 GLY A 34 5.159 -3.763 -6.197 1.00 0.20 H new ATOM 0 HA3 GLY A 34 6.319 -4.973 -5.687 1.00 0.20 H new ATOM 522 N TYR A 35 4.068 -5.891 -4.806 1.00 0.20 N ATOM 523 CA TYR A 35 3.056 -6.557 -3.999 1.00 0.26 C ATOM 524 C TYR A 35 2.806 -7.979 -4.481 1.00 0.17 C ATOM 525 O TYR A 35 3.157 -8.338 -5.606 1.00 0.17 O ATOM 526 CB TYR A 35 1.749 -5.752 -4.027 1.00 0.40 C ATOM 527 CG TYR A 35 0.662 -6.359 -4.890 1.00 0.38 C ATOM 528 CD1 TYR A 35 0.600 -6.087 -6.248 1.00 0.50 C ATOM 529 CD2 TYR A 35 -0.297 -7.203 -4.347 1.00 0.31 C ATOM 530 CE1 TYR A 35 -0.387 -6.638 -7.042 1.00 0.58 C ATOM 531 CE2 TYR A 35 -1.286 -7.758 -5.133 1.00 0.39 C ATOM 532 CZ TYR A 35 -1.327 -7.471 -6.480 1.00 0.53 C ATOM 533 OH TYR A 35 -2.309 -8.024 -7.266 1.00 0.66 O ATOM 0 H TYR A 35 4.286 -6.357 -5.687 1.00 0.20 H new ATOM 0 HA TYR A 35 3.425 -6.612 -2.975 1.00 0.26 H new ATOM 0 HB2 TYR A 35 1.375 -5.653 -3.008 1.00 0.40 H new ATOM 0 HB3 TYR A 35 1.963 -4.746 -4.387 1.00 0.40 H new ATOM 0 HD1 TYR A 35 1.336 -5.433 -6.693 1.00 0.50 H new ATOM 0 HD2 TYR A 35 -0.269 -7.429 -3.291 1.00 0.31 H new ATOM 0 HE1 TYR A 35 -0.421 -6.416 -8.098 1.00 0.58 H new ATOM 0 HE2 TYR A 35 -2.024 -8.414 -4.695 1.00 0.39 H new ATOM 0 HH TYR A 35 -1.897 -8.569 -7.969 1.00 0.66 H new ATOM 543 N VAL A 36 2.165 -8.772 -3.626 1.00 0.14 N ATOM 544 CA VAL A 36 1.831 -10.145 -3.967 1.00 0.17 C ATOM 545 C VAL A 36 0.423 -10.485 -3.507 1.00 0.22 C ATOM 546 O VAL A 36 0.119 -10.454 -2.314 1.00 0.51 O ATOM 547 CB VAL A 36 2.834 -11.173 -3.389 1.00 0.32 C ATOM 548 CG1 VAL A 36 2.900 -11.095 -1.874 1.00 1.38 C ATOM 549 CG2 VAL A 36 2.470 -12.580 -3.836 1.00 1.13 C ATOM 0 H VAL A 36 1.868 -8.484 -2.694 1.00 0.14 H new ATOM 0 HA VAL A 36 1.889 -10.213 -5.053 1.00 0.17 H new ATOM 0 HB VAL A 36 3.823 -10.927 -3.776 1.00 0.32 H new ATOM 0 HG11 VAL A 36 3.614 -11.830 -1.503 1.00 1.38 H new ATOM 0 HG12 VAL A 36 3.219 -10.097 -1.575 1.00 1.38 H new ATOM 0 HG13 VAL A 36 1.915 -11.302 -1.456 1.00 1.38 H new ATOM 0 HG21 VAL A 36 3.185 -13.290 -3.421 1.00 1.13 H new ATOM 0 HG22 VAL A 36 1.468 -12.826 -3.484 1.00 1.13 H new ATOM 0 HG23 VAL A 36 2.495 -12.634 -4.924 1.00 1.13 H new ATOM 559 N THR A 37 -0.438 -10.805 -4.464 1.00 0.28 N ATOM 560 CA THR A 37 -1.820 -11.147 -4.140 1.00 0.34 C ATOM 561 C THR A 37 -1.978 -12.635 -3.946 1.00 0.26 C ATOM 562 O THR A 37 -1.142 -13.418 -4.407 1.00 0.26 O ATOM 563 CB THR A 37 -2.815 -10.711 -5.224 1.00 0.55 C ATOM 564 OG1 THR A 37 -4.053 -11.409 -5.049 1.00 1.41 O ATOM 565 CG2 THR A 37 -2.284 -11.000 -6.607 1.00 0.88 C ATOM 0 H THR A 37 -0.211 -10.835 -5.458 1.00 0.28 H new ATOM 0 HA THR A 37 -2.043 -10.608 -3.219 1.00 0.34 H new ATOM 0 HB THR A 37 -2.966 -9.636 -5.126 1.00 0.55 H new ATOM 0 HG1 THR A 37 -4.681 -10.842 -4.554 1.00 1.41 H new ATOM 0 HG21 THR A 37 -3.013 -10.679 -7.351 1.00 0.88 H new ATOM 0 HG22 THR A 37 -1.349 -10.460 -6.758 1.00 0.88 H new ATOM 0 HG23 THR A 37 -2.106 -12.070 -6.712 1.00 0.88 H new ATOM 573 N ASN A 38 -3.072 -13.013 -3.275 1.00 0.26 N ATOM 574 CA ASN A 38 -3.370 -14.420 -3.022 1.00 0.26 C ATOM 575 C ASN A 38 -3.422 -15.232 -4.321 1.00 0.31 C ATOM 576 O ASN A 38 -3.572 -16.453 -4.288 1.00 0.40 O ATOM 577 CB ASN A 38 -4.697 -14.550 -2.270 1.00 0.32 C ATOM 578 CG ASN A 38 -5.897 -14.529 -3.198 1.00 0.41 C ATOM 579 OD1 ASN A 38 -6.810 -15.344 -3.068 1.00 0.50 O ATOM 580 ND2 ASN A 38 -5.900 -13.595 -4.141 1.00 0.44 N ATOM 0 H ASN A 38 -3.762 -12.363 -2.900 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.564 -14.824 -2.409 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -4.698 -15.480 -1.701 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -4.784 -13.736 -1.551 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -6.681 -13.533 -4.795 1.00 0.44 H new ATOM 0 HD22 ASN A 38 -5.122 -12.940 -4.212 1.00 0.44 H new ATOM 587 N ARG A 39 -3.287 -14.554 -5.463 1.00 0.32 N ATOM 588 CA ARG A 39 -3.309 -15.222 -6.759 1.00 0.43 C ATOM 589 C ARG A 39 -1.889 -15.486 -7.233 1.00 0.43 C ATOM 590 O ARG A 39 -1.662 -15.856 -8.385 1.00 0.65 O ATOM 591 CB ARG A 39 -4.040 -14.365 -7.793 1.00 0.51 C ATOM 592 CG ARG A 39 -5.278 -13.675 -7.248 1.00 0.55 C ATOM 593 CD ARG A 39 -5.902 -12.755 -8.284 1.00 0.61 C ATOM 594 NE ARG A 39 -7.362 -12.799 -8.247 1.00 1.05 N ATOM 595 CZ ARG A 39 -8.085 -13.791 -8.759 1.00 1.22 C ATOM 596 NH1 ARG A 39 -7.488 -14.813 -9.357 1.00 1.88 N ATOM 597 NH2 ARG A 39 -9.409 -13.759 -8.675 1.00 1.58 N ATOM 0 H ARG A 39 -3.161 -13.543 -5.513 1.00 0.32 H new ATOM 0 HA ARG A 39 -3.837 -16.169 -6.648 1.00 0.43 H new ATOM 0 HB2 ARG A 39 -3.354 -13.610 -8.177 1.00 0.51 H new ATOM 0 HB3 ARG A 39 -4.327 -14.994 -8.636 1.00 0.51 H new ATOM 0 HG2 ARG A 39 -6.007 -14.424 -6.938 1.00 0.55 H new ATOM 0 HG3 ARG A 39 -5.015 -13.100 -6.360 1.00 0.55 H new ATOM 0 HD2 ARG A 39 -5.566 -11.733 -8.110 1.00 0.61 H new ATOM 0 HD3 ARG A 39 -5.556 -13.040 -9.277 1.00 0.61 H new ATOM 0 HE ARG A 39 -7.855 -12.024 -7.803 1.00 1.05 H new ATOM 0 HH11 ARG A 39 -6.471 -14.840 -9.426 1.00 1.88 H new ATOM 0 HH12 ARG A 39 -8.046 -15.572 -9.748 1.00 1.88 H new ATOM 0 HH21 ARG A 39 -9.872 -12.974 -8.218 1.00 1.58 H new ATOM 0 HH22 ARG A 39 -9.963 -14.520 -9.068 1.00 1.58 H new ATOM 611 N GLY A 40 -0.934 -15.277 -6.336 1.00 0.37 N ATOM 612 CA GLY A 40 0.456 -15.479 -6.672 1.00 0.38 C ATOM 613 C GLY A 40 0.951 -14.474 -7.691 1.00 0.33 C ATOM 614 O GLY A 40 1.613 -14.846 -8.660 1.00 0.37 O ATOM 0 H GLY A 40 -1.102 -14.970 -5.378 1.00 0.37 H new ATOM 0 HA2 GLY A 40 1.061 -15.405 -5.768 1.00 0.38 H new ATOM 0 HA3 GLY A 40 0.590 -16.487 -7.064 1.00 0.38 H new ATOM 618 N ARG A 41 0.643 -13.194 -7.476 1.00 0.28 N ATOM 619 CA ARG A 41 1.089 -12.153 -8.406 1.00 0.25 C ATOM 620 C ARG A 41 2.176 -11.304 -7.767 1.00 0.26 C ATOM 621 O ARG A 41 2.163 -11.101 -6.558 1.00 0.54 O ATOM 622 CB ARG A 41 -0.073 -11.265 -8.852 1.00 0.29 C ATOM 623 CG ARG A 41 0.329 -9.842 -9.233 1.00 0.29 C ATOM 624 CD ARG A 41 -0.456 -9.356 -10.442 1.00 0.40 C ATOM 625 NE ARG A 41 0.147 -9.796 -11.696 1.00 0.97 N ATOM 626 CZ ARG A 41 -0.247 -10.878 -12.360 1.00 1.06 C ATOM 627 NH1 ARG A 41 -1.244 -11.617 -11.891 1.00 1.54 N ATOM 628 NH2 ARG A 41 0.355 -11.220 -13.491 1.00 1.61 N ATOM 0 H ARG A 41 0.098 -12.857 -6.683 1.00 0.28 H new ATOM 0 HA ARG A 41 1.493 -12.649 -9.289 1.00 0.25 H new ATOM 0 HB2 ARG A 41 -0.564 -11.732 -9.706 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -0.808 -11.219 -8.048 1.00 0.29 H new ATOM 0 HG2 ARG A 41 0.155 -9.174 -8.390 1.00 0.29 H new ATOM 0 HG3 ARG A 41 1.396 -9.808 -9.451 1.00 0.29 H new ATOM 0 HD2 ARG A 41 -1.480 -9.725 -10.382 1.00 0.40 H new ATOM 0 HD3 ARG A 41 -0.509 -8.267 -10.427 1.00 0.40 H new ATOM 0 HE ARG A 41 0.912 -9.244 -12.084 1.00 0.97 H new ATOM 0 HH11 ARG A 41 -1.708 -11.355 -11.021 1.00 1.54 H new ATOM 0 HH12 ARG A 41 -1.547 -12.447 -12.400 1.00 1.54 H new ATOM 0 HH21 ARG A 41 1.122 -10.652 -13.853 1.00 1.61 H new ATOM 0 HH22 ARG A 41 0.052 -12.051 -13.999 1.00 1.61 H new ATOM 642 N GLN A 42 3.112 -10.815 -8.581 1.00 0.26 N ATOM 643 CA GLN A 42 4.207 -9.993 -8.072 1.00 0.27 C ATOM 644 C GLN A 42 4.572 -8.864 -9.037 1.00 0.28 C ATOM 645 O GLN A 42 4.947 -9.114 -10.182 1.00 0.32 O ATOM 646 CB GLN A 42 5.439 -10.866 -7.824 1.00 0.34 C ATOM 647 CG GLN A 42 5.453 -11.537 -6.462 1.00 0.76 C ATOM 648 CD GLN A 42 6.035 -10.647 -5.385 1.00 0.89 C ATOM 649 OE1 GLN A 42 7.241 -10.657 -5.137 1.00 1.18 O ATOM 650 NE2 GLN A 42 5.176 -9.874 -4.737 1.00 1.37 N ATOM 0 H GLN A 42 3.133 -10.973 -9.588 1.00 0.26 H new ATOM 0 HA GLN A 42 3.871 -9.542 -7.138 1.00 0.27 H new ATOM 0 HB2 GLN A 42 5.490 -11.633 -8.597 1.00 0.34 H new ATOM 0 HB3 GLN A 42 6.334 -10.252 -7.925 1.00 0.34 H new ATOM 0 HG2 GLN A 42 4.436 -11.817 -6.188 1.00 0.76 H new ATOM 0 HG3 GLN A 42 6.032 -12.458 -6.520 1.00 0.76 H new ATOM 0 HE21 GLN A 42 4.185 -9.900 -4.977 1.00 1.37 H new ATOM 0 HE22 GLN A 42 5.506 -9.253 -3.998 1.00 1.37 H new ATOM 659 N LYS A 43 4.492 -7.621 -8.554 1.00 0.33 N ATOM 660 CA LYS A 43 4.850 -6.455 -9.365 1.00 0.38 C ATOM 661 C LYS A 43 5.845 -5.580 -8.622 1.00 0.27 C ATOM 662 O LYS A 43 6.132 -5.821 -7.448 1.00 0.20 O ATOM 663 CB LYS A 43 3.626 -5.606 -9.738 1.00 0.53 C ATOM 664 CG LYS A 43 2.323 -6.071 -9.120 1.00 0.36 C ATOM 665 CD LYS A 43 1.403 -6.676 -10.165 1.00 0.39 C ATOM 666 CE LYS A 43 0.561 -5.614 -10.854 1.00 0.57 C ATOM 667 NZ LYS A 43 -0.600 -5.195 -10.018 1.00 1.77 N ATOM 0 H LYS A 43 4.183 -7.397 -7.608 1.00 0.33 H new ATOM 0 HA LYS A 43 5.294 -6.837 -10.284 1.00 0.38 H new ATOM 0 HB2 LYS A 43 3.809 -4.575 -9.435 1.00 0.53 H new ATOM 0 HB3 LYS A 43 3.518 -5.605 -10.823 1.00 0.53 H new ATOM 0 HG2 LYS A 43 2.529 -6.807 -8.343 1.00 0.36 H new ATOM 0 HG3 LYS A 43 1.826 -5.229 -8.638 1.00 0.36 H new ATOM 0 HD2 LYS A 43 1.997 -7.209 -10.908 1.00 0.39 H new ATOM 0 HD3 LYS A 43 0.749 -7.410 -9.694 1.00 0.39 H new ATOM 0 HE2 LYS A 43 1.182 -4.745 -11.074 1.00 0.57 H new ATOM 0 HE3 LYS A 43 0.201 -5.999 -11.808 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 -1.119 -4.434 -10.501 1.00 1.77 H new ATOM 0 HZ2 LYS A 43 -1.233 -6.007 -9.871 1.00 1.77 H new ATOM 0 HZ3 LYS A 43 -0.259 -4.851 -9.098 1.00 1.77 H new ATOM 681 N VAL A 44 6.356 -4.560 -9.312 1.00 0.34 N ATOM 682 CA VAL A 44 7.314 -3.625 -8.732 1.00 0.28 C ATOM 683 C VAL A 44 7.295 -2.296 -9.491 1.00 0.32 C ATOM 684 O VAL A 44 7.031 -2.266 -10.694 1.00 0.46 O ATOM 685 CB VAL A 44 8.745 -4.202 -8.734 1.00 0.37 C ATOM 686 CG1 VAL A 44 9.355 -4.144 -10.128 1.00 1.34 C ATOM 687 CG2 VAL A 44 9.619 -3.462 -7.732 1.00 1.47 C ATOM 0 H VAL A 44 6.118 -4.361 -10.284 1.00 0.34 H new ATOM 0 HA VAL A 44 7.015 -3.456 -7.698 1.00 0.28 H new ATOM 0 HB VAL A 44 8.690 -5.249 -8.436 1.00 0.37 H new ATOM 0 HG11 VAL A 44 10.363 -4.557 -10.101 1.00 1.34 H new ATOM 0 HG12 VAL A 44 8.743 -4.726 -10.817 1.00 1.34 H new ATOM 0 HG13 VAL A 44 9.396 -3.108 -10.465 1.00 1.34 H new ATOM 0 HG21 VAL A 44 10.625 -3.882 -7.747 1.00 1.47 H new ATOM 0 HG22 VAL A 44 9.663 -2.406 -7.998 1.00 1.47 H new ATOM 0 HG23 VAL A 44 9.196 -3.567 -6.733 1.00 1.47 H new ATOM 697 N VAL A 45 7.564 -1.197 -8.786 1.00 0.21 N ATOM 698 CA VAL A 45 7.563 0.129 -9.403 1.00 0.26 C ATOM 699 C VAL A 45 8.581 1.055 -8.747 1.00 0.23 C ATOM 700 O VAL A 45 8.988 0.835 -7.606 1.00 0.27 O ATOM 701 CB VAL A 45 6.172 0.789 -9.317 1.00 0.30 C ATOM 702 CG1 VAL A 45 5.186 0.090 -10.240 1.00 0.50 C ATOM 703 CG2 VAL A 45 5.668 0.785 -7.881 1.00 0.33 C ATOM 0 H VAL A 45 7.785 -1.199 -7.790 1.00 0.21 H new ATOM 0 HA VAL A 45 7.832 -0.019 -10.449 1.00 0.26 H new ATOM 0 HB VAL A 45 6.262 1.825 -9.644 1.00 0.30 H new ATOM 0 HG11 VAL A 45 4.211 0.572 -10.163 1.00 0.50 H new ATOM 0 HG12 VAL A 45 5.542 0.153 -11.268 1.00 0.50 H new ATOM 0 HG13 VAL A 45 5.097 -0.957 -9.951 1.00 0.50 H new ATOM 0 HG21 VAL A 45 4.685 1.255 -7.839 1.00 0.33 H new ATOM 0 HG22 VAL A 45 5.595 -0.242 -7.524 1.00 0.33 H new ATOM 0 HG23 VAL A 45 6.362 1.340 -7.250 1.00 0.33 H new ATOM 713 N THR A 46 8.980 2.098 -9.472 1.00 0.29 N ATOM 714 CA THR A 46 9.944 3.063 -8.955 1.00 0.27 C ATOM 715 C THR A 46 9.240 4.261 -8.329 1.00 0.26 C ATOM 716 O THR A 46 8.231 4.742 -8.846 1.00 0.31 O ATOM 717 CB THR A 46 10.898 3.569 -10.051 1.00 0.33 C ATOM 718 OG1 THR A 46 10.183 4.387 -10.986 1.00 0.39 O ATOM 719 CG2 THR A 46 11.550 2.406 -10.783 1.00 0.39 C ATOM 0 H THR A 46 8.651 2.295 -10.417 1.00 0.29 H new ATOM 0 HA THR A 46 10.525 2.539 -8.196 1.00 0.27 H new ATOM 0 HB THR A 46 11.679 4.161 -9.574 1.00 0.33 H new ATOM 0 HG1 THR A 46 10.798 4.706 -11.679 1.00 0.39 H new ATOM 0 HG21 THR A 46 12.220 2.790 -11.553 1.00 0.39 H new ATOM 0 HG22 THR A 46 12.119 1.803 -10.075 1.00 0.39 H new ATOM 0 HG23 THR A 46 10.779 1.790 -11.247 1.00 0.39 H new ATOM 727 N LEU A 47 9.777 4.734 -7.210 1.00 0.22 N ATOM 728 CA LEU A 47 9.196 5.875 -6.507 1.00 0.24 C ATOM 729 C LEU A 47 9.830 7.190 -6.945 1.00 0.29 C ATOM 730 O LEU A 47 11.029 7.258 -7.219 1.00 0.36 O ATOM 731 CB LEU A 47 9.335 5.702 -4.992 1.00 0.35 C ATOM 732 CG LEU A 47 8.362 4.701 -4.359 1.00 0.52 C ATOM 733 CD1 LEU A 47 6.945 4.920 -4.874 1.00 0.74 C ATOM 734 CD2 LEU A 47 8.815 3.277 -4.634 1.00 1.31 C ATOM 0 H LEU A 47 10.612 4.347 -6.770 1.00 0.22 H new ATOM 0 HA LEU A 47 8.138 5.912 -6.765 1.00 0.24 H new ATOM 0 HB2 LEU A 47 10.354 5.384 -4.770 1.00 0.35 H new ATOM 0 HB3 LEU A 47 9.193 6.673 -4.517 1.00 0.35 H new ATOM 0 HG LEU A 47 8.359 4.863 -3.281 1.00 0.52 H new ATOM 0 HD11 LEU A 47 6.274 4.198 -4.410 1.00 0.74 H new ATOM 0 HD12 LEU A 47 6.619 5.930 -4.625 1.00 0.74 H new ATOM 0 HD13 LEU A 47 6.927 4.789 -5.956 1.00 0.74 H new ATOM 0 HD21 LEU A 47 8.114 2.578 -4.178 1.00 1.31 H new ATOM 0 HD22 LEU A 47 8.849 3.107 -5.710 1.00 1.31 H new ATOM 0 HD23 LEU A 47 9.808 3.123 -4.211 1.00 1.31 H new ATOM 746 N THR A 48 9.007 8.233 -7.007 1.00 0.29 N ATOM 747 CA THR A 48 9.466 9.556 -7.407 1.00 0.38 C ATOM 748 C THR A 48 8.823 10.634 -6.540 1.00 0.37 C ATOM 749 O THR A 48 7.614 10.860 -6.613 1.00 0.37 O ATOM 750 CB THR A 48 9.144 9.842 -8.886 1.00 0.46 C ATOM 751 OG1 THR A 48 8.160 8.915 -9.360 1.00 0.52 O ATOM 752 CG2 THR A 48 10.395 9.744 -9.745 1.00 0.60 C ATOM 0 H THR A 48 8.013 8.185 -6.783 1.00 0.29 H new ATOM 0 HA THR A 48 10.548 9.574 -7.273 1.00 0.38 H new ATOM 0 HB THR A 48 8.754 10.857 -8.959 1.00 0.46 H new ATOM 0 HG1 THR A 48 7.959 9.104 -10.300 1.00 0.52 H new ATOM 0 HG21 THR A 48 10.140 9.950 -10.784 1.00 0.60 H new ATOM 0 HG22 THR A 48 11.131 10.471 -9.401 1.00 0.60 H new ATOM 0 HG23 THR A 48 10.813 8.740 -9.666 1.00 0.60 H new ATOM 760 N ASP A 49 9.638 11.289 -5.715 1.00 0.40 N ATOM 761 CA ASP A 49 9.157 12.342 -4.824 1.00 0.42 C ATOM 762 C ASP A 49 8.190 11.780 -3.783 1.00 0.39 C ATOM 763 O ASP A 49 7.567 12.531 -3.032 1.00 0.48 O ATOM 764 CB ASP A 49 8.478 13.458 -5.624 1.00 0.45 C ATOM 765 CG ASP A 49 9.244 13.815 -6.883 1.00 1.01 C ATOM 766 OD1 ASP A 49 10.355 14.372 -6.764 1.00 1.01 O ATOM 767 OD2 ASP A 49 8.732 13.538 -7.988 1.00 1.86 O ATOM 0 H ASP A 49 10.639 11.107 -5.646 1.00 0.40 H new ATOM 0 HA ASP A 49 10.020 12.758 -4.303 1.00 0.42 H new ATOM 0 HB2 ASP A 49 7.468 13.146 -5.892 1.00 0.45 H new ATOM 0 HB3 ASP A 49 8.382 14.344 -4.997 1.00 0.45 H new ATOM 772 N THR A 50 8.077 10.454 -3.739 1.00 0.33 N ATOM 773 CA THR A 50 7.194 9.789 -2.786 1.00 0.30 C ATOM 774 C THR A 50 7.927 9.481 -1.484 1.00 0.35 C ATOM 775 O THR A 50 9.037 8.948 -1.499 1.00 0.45 O ATOM 776 CB THR A 50 6.627 8.481 -3.361 1.00 0.25 C ATOM 777 OG1 THR A 50 7.643 7.475 -3.380 1.00 0.73 O ATOM 778 CG2 THR A 50 6.089 8.696 -4.766 1.00 0.56 C ATOM 0 H THR A 50 8.587 9.819 -4.353 1.00 0.33 H new ATOM 0 HA THR A 50 6.371 10.475 -2.587 1.00 0.30 H new ATOM 0 HB THR A 50 5.806 8.154 -2.723 1.00 0.25 H new ATOM 0 HG1 THR A 50 8.327 7.688 -2.712 1.00 0.73 H new ATOM 0 HG21 THR A 50 5.693 7.757 -5.152 1.00 0.56 H new ATOM 0 HG22 THR A 50 5.294 9.442 -4.741 1.00 0.56 H new ATOM 0 HG23 THR A 50 6.893 9.044 -5.414 1.00 0.56 H new ATOM 786 N THR A 51 7.300 9.811 -0.360 1.00 0.41 N ATOM 787 CA THR A 51 7.894 9.559 0.950 1.00 0.48 C ATOM 788 C THR A 51 8.028 8.064 1.193 1.00 0.35 C ATOM 789 O THR A 51 7.475 7.265 0.443 1.00 0.33 O ATOM 790 CB THR A 51 7.059 10.172 2.090 1.00 0.64 C ATOM 791 OG1 THR A 51 6.123 11.119 1.562 1.00 0.63 O ATOM 792 CG2 THR A 51 7.956 10.857 3.109 1.00 0.84 C ATOM 0 H THR A 51 6.381 10.253 -0.329 1.00 0.41 H new ATOM 0 HA THR A 51 8.877 10.030 0.947 1.00 0.48 H new ATOM 0 HB THR A 51 6.518 9.366 2.586 1.00 0.64 H new ATOM 0 HG1 THR A 51 5.596 11.501 2.294 1.00 0.63 H new ATOM 0 HG21 THR A 51 7.344 11.282 3.905 1.00 0.84 H new ATOM 0 HG22 THR A 51 8.647 10.129 3.533 1.00 0.84 H new ATOM 0 HG23 THR A 51 8.520 11.652 2.621 1.00 0.84 H new ATOM 800 N ASN A 52 8.760 7.691 2.241 1.00 0.30 N ATOM 801 CA ASN A 52 8.956 6.283 2.564 1.00 0.26 C ATOM 802 C ASN A 52 7.615 5.558 2.611 1.00 0.19 C ATOM 803 O ASN A 52 7.420 4.529 1.959 1.00 0.20 O ATOM 804 CB ASN A 52 9.684 6.123 3.903 1.00 0.29 C ATOM 805 CG ASN A 52 8.866 6.618 5.080 1.00 0.54 C ATOM 806 OD1 ASN A 52 8.462 5.836 5.939 1.00 0.71 O ATOM 807 ND2 ASN A 52 8.616 7.921 5.124 1.00 0.80 N ATOM 0 H ASN A 52 9.224 8.341 2.876 1.00 0.30 H new ATOM 0 HA ASN A 52 9.573 5.841 1.782 1.00 0.26 H new ATOM 0 HB2 ASN A 52 9.930 5.072 4.054 1.00 0.29 H new ATOM 0 HB3 ASN A 52 10.627 6.669 3.866 1.00 0.29 H new ATOM 0 HD21 ASN A 52 8.069 8.310 5.892 1.00 0.80 H new ATOM 0 HD22 ASN A 52 8.971 8.533 4.390 1.00 0.80 H new ATOM 814 N GLN A 53 6.686 6.112 3.376 1.00 0.17 N ATOM 815 CA GLN A 53 5.364 5.528 3.497 1.00 0.20 C ATOM 816 C GLN A 53 4.633 5.596 2.164 1.00 0.24 C ATOM 817 O GLN A 53 3.822 4.725 1.847 1.00 0.34 O ATOM 818 CB GLN A 53 4.567 6.239 4.586 1.00 0.27 C ATOM 819 CG GLN A 53 4.764 5.634 5.966 1.00 0.89 C ATOM 820 CD GLN A 53 5.221 6.645 6.998 1.00 1.75 C ATOM 821 OE1 GLN A 53 6.400 6.709 7.343 1.00 2.48 O ATOM 822 NE2 GLN A 53 4.285 7.441 7.498 1.00 1.81 N ATOM 0 H GLN A 53 6.825 6.963 3.920 1.00 0.17 H new ATOM 0 HA GLN A 53 5.469 4.480 3.779 1.00 0.20 H new ATOM 0 HB2 GLN A 53 4.858 7.289 4.612 1.00 0.27 H new ATOM 0 HB3 GLN A 53 3.508 6.208 4.331 1.00 0.27 H new ATOM 0 HG2 GLN A 53 3.828 5.184 6.296 1.00 0.89 H new ATOM 0 HG3 GLN A 53 5.498 4.831 5.903 1.00 0.89 H new ATOM 0 HE21 GLN A 53 3.319 7.353 7.183 1.00 1.81 H new ATOM 0 HE22 GLN A 53 4.531 8.141 8.198 1.00 1.81 H new ATOM 831 N LYS A 54 4.940 6.624 1.372 1.00 0.20 N ATOM 832 CA LYS A 54 4.322 6.772 0.062 1.00 0.27 C ATOM 833 C LYS A 54 4.852 5.699 -0.875 1.00 0.24 C ATOM 834 O LYS A 54 4.166 5.293 -1.807 1.00 0.27 O ATOM 835 CB LYS A 54 4.564 8.161 -0.533 1.00 0.34 C ATOM 836 CG LYS A 54 3.360 9.092 -0.428 1.00 0.50 C ATOM 837 CD LYS A 54 3.386 9.903 0.858 1.00 0.80 C ATOM 838 CE LYS A 54 2.912 9.085 2.049 1.00 0.61 C ATOM 839 NZ LYS A 54 1.621 9.592 2.592 1.00 1.52 N ATOM 0 H LYS A 54 5.606 7.357 1.615 1.00 0.20 H new ATOM 0 HA LYS A 54 3.245 6.656 0.184 1.00 0.27 H new ATOM 0 HB2 LYS A 54 5.413 8.621 -0.026 1.00 0.34 H new ATOM 0 HB3 LYS A 54 4.839 8.054 -1.582 1.00 0.34 H new ATOM 0 HG2 LYS A 54 3.346 9.767 -1.284 1.00 0.50 H new ATOM 0 HG3 LYS A 54 2.442 8.506 -0.470 1.00 0.50 H new ATOM 0 HD2 LYS A 54 4.399 10.261 1.042 1.00 0.80 H new ATOM 0 HD3 LYS A 54 2.753 10.783 0.746 1.00 0.80 H new ATOM 0 HE2 LYS A 54 2.796 8.043 1.751 1.00 0.61 H new ATOM 0 HE3 LYS A 54 3.670 9.110 2.832 1.00 0.61 H new ATOM 0 HZ1 LYS A 54 1.775 9.985 3.542 1.00 1.52 H new ATOM 0 HZ2 LYS A 54 1.249 10.334 1.966 1.00 1.52 H new ATOM 0 HZ3 LYS A 54 0.937 8.811 2.647 1.00 1.52 H new ATOM 853 N THR A 55 6.065 5.214 -0.607 1.00 0.21 N ATOM 854 CA THR A 55 6.640 4.154 -1.423 1.00 0.23 C ATOM 855 C THR A 55 5.752 2.936 -1.296 1.00 0.19 C ATOM 856 O THR A 55 5.513 2.209 -2.261 1.00 0.21 O ATOM 857 CB THR A 55 8.075 3.781 -0.999 1.00 0.29 C ATOM 858 OG1 THR A 55 8.044 2.900 0.130 1.00 0.30 O ATOM 859 CG2 THR A 55 8.886 5.023 -0.662 1.00 0.34 C ATOM 0 H THR A 55 6.658 5.535 0.158 1.00 0.21 H new ATOM 0 HA THR A 55 6.697 4.511 -2.451 1.00 0.23 H new ATOM 0 HB THR A 55 8.553 3.275 -1.838 1.00 0.29 H new ATOM 0 HG1 THR A 55 8.033 3.427 0.956 1.00 0.30 H new ATOM 0 HG21 THR A 55 9.894 4.730 -0.366 1.00 0.34 H new ATOM 0 HG22 THR A 55 8.938 5.672 -1.536 1.00 0.34 H new ATOM 0 HG23 THR A 55 8.408 5.558 0.159 1.00 0.34 H new ATOM 867 N GLU A 56 5.236 2.755 -0.087 1.00 0.16 N ATOM 868 CA GLU A 56 4.327 1.660 0.204 1.00 0.18 C ATOM 869 C GLU A 56 2.934 2.033 -0.277 1.00 0.18 C ATOM 870 O GLU A 56 2.112 1.168 -0.571 1.00 0.22 O ATOM 871 CB GLU A 56 4.305 1.361 1.701 1.00 0.19 C ATOM 872 CG GLU A 56 5.522 1.891 2.443 1.00 0.21 C ATOM 873 CD GLU A 56 6.590 0.834 2.640 1.00 0.39 C ATOM 874 OE1 GLU A 56 6.229 -0.336 2.890 1.00 0.52 O ATOM 875 OE2 GLU A 56 7.786 1.177 2.546 1.00 0.65 O ATOM 0 H GLU A 56 5.435 3.358 0.711 1.00 0.16 H new ATOM 0 HA GLU A 56 4.667 0.763 -0.314 1.00 0.18 H new ATOM 0 HB2 GLU A 56 3.406 1.796 2.137 1.00 0.19 H new ATOM 0 HB3 GLU A 56 4.241 0.283 1.847 1.00 0.19 H new ATOM 0 HG2 GLU A 56 5.944 2.730 1.889 1.00 0.21 H new ATOM 0 HG3 GLU A 56 5.212 2.275 3.415 1.00 0.21 H new ATOM 882 N LEU A 57 2.691 3.339 -0.367 1.00 0.18 N ATOM 883 CA LEU A 57 1.412 3.856 -0.833 1.00 0.22 C ATOM 884 C LEU A 57 1.260 3.554 -2.315 1.00 0.23 C ATOM 885 O LEU A 57 0.214 3.093 -2.765 1.00 0.29 O ATOM 886 CB LEU A 57 1.331 5.369 -0.588 1.00 0.25 C ATOM 887 CG LEU A 57 -0.052 5.941 -0.234 1.00 0.42 C ATOM 888 CD1 LEU A 57 -1.002 4.857 0.257 1.00 0.99 C ATOM 889 CD2 LEU A 57 0.095 7.034 0.814 1.00 1.24 C ATOM 0 H LEU A 57 3.369 4.060 -0.121 1.00 0.18 H new ATOM 0 HA LEU A 57 0.604 3.375 -0.282 1.00 0.22 H new ATOM 0 HB2 LEU A 57 2.019 5.620 0.219 1.00 0.25 H new ATOM 0 HB3 LEU A 57 1.690 5.878 -1.483 1.00 0.25 H new ATOM 0 HG LEU A 57 -0.484 6.365 -1.141 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -1.968 5.301 0.497 1.00 0.99 H new ATOM 0 HD12 LEU A 57 -1.131 4.106 -0.522 1.00 0.99 H new ATOM 0 HD13 LEU A 57 -0.588 4.387 1.149 1.00 0.99 H new ATOM 0 HD21 LEU A 57 -0.888 7.436 1.061 1.00 1.24 H new ATOM 0 HD22 LEU A 57 0.553 6.618 1.711 1.00 1.24 H new ATOM 0 HD23 LEU A 57 0.725 7.832 0.421 1.00 1.24 H new ATOM 901 N GLN A 58 2.331 3.789 -3.063 1.00 0.20 N ATOM 902 CA GLN A 58 2.334 3.511 -4.484 1.00 0.20 C ATOM 903 C GLN A 58 2.119 2.014 -4.675 1.00 0.20 C ATOM 904 O GLN A 58 1.240 1.575 -5.428 1.00 0.22 O ATOM 905 CB GLN A 58 3.660 3.960 -5.109 1.00 0.20 C ATOM 906 CG GLN A 58 3.853 3.493 -6.545 1.00 0.22 C ATOM 907 CD GLN A 58 2.631 3.740 -7.411 1.00 0.23 C ATOM 908 OE1 GLN A 58 2.261 4.886 -7.672 1.00 0.27 O ATOM 909 NE2 GLN A 58 1.999 2.662 -7.861 1.00 0.24 N ATOM 0 H GLN A 58 3.206 4.171 -2.704 1.00 0.20 H new ATOM 0 HA GLN A 58 1.535 4.061 -4.980 1.00 0.20 H new ATOM 0 HB2 GLN A 58 3.714 5.048 -5.081 1.00 0.20 H new ATOM 0 HB3 GLN A 58 4.483 3.584 -4.501 1.00 0.20 H new ATOM 0 HG2 GLN A 58 4.710 4.008 -6.978 1.00 0.22 H new ATOM 0 HG3 GLN A 58 4.086 2.428 -6.548 1.00 0.22 H new ATOM 0 HE21 GLN A 58 2.341 1.732 -7.619 1.00 0.24 H new ATOM 0 HE22 GLN A 58 1.171 2.764 -8.448 1.00 0.24 H new ATOM 918 N ALA A 59 2.903 1.231 -3.939 1.00 0.21 N ATOM 919 CA ALA A 59 2.780 -0.212 -3.976 1.00 0.21 C ATOM 920 C ALA A 59 1.368 -0.598 -3.563 1.00 0.19 C ATOM 921 O ALA A 59 0.795 -1.548 -4.089 1.00 0.20 O ATOM 922 CB ALA A 59 3.805 -0.860 -3.059 1.00 0.24 C ATOM 0 H ALA A 59 3.629 1.578 -3.311 1.00 0.21 H new ATOM 0 HA ALA A 59 2.970 -0.568 -4.989 1.00 0.21 H new ATOM 0 HB1 ALA A 59 3.697 -1.944 -3.101 1.00 0.24 H new ATOM 0 HB2 ALA A 59 4.809 -0.583 -3.382 1.00 0.24 H new ATOM 0 HB3 ALA A 59 3.646 -0.518 -2.036 1.00 0.24 H new ATOM 928 N ILE A 60 0.807 0.169 -2.626 1.00 0.20 N ATOM 929 CA ILE A 60 -0.553 -0.068 -2.151 1.00 0.21 C ATOM 930 C ILE A 60 -1.502 -0.106 -3.340 1.00 0.20 C ATOM 931 O ILE A 60 -2.354 -0.988 -3.446 1.00 0.21 O ATOM 932 CB ILE A 60 -0.996 1.014 -1.132 1.00 0.25 C ATOM 933 CG1 ILE A 60 -0.786 0.503 0.291 1.00 0.19 C ATOM 934 CG2 ILE A 60 -2.451 1.414 -1.335 1.00 0.43 C ATOM 935 CD1 ILE A 60 -0.385 1.584 1.272 1.00 0.67 C ATOM 0 H ILE A 60 1.276 0.959 -2.183 1.00 0.20 H new ATOM 0 HA ILE A 60 -0.579 -1.027 -1.634 1.00 0.21 H new ATOM 0 HB ILE A 60 -0.383 1.900 -1.295 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -1.706 0.032 0.638 1.00 0.19 H new ATOM 0 HG13 ILE A 60 -0.017 -0.269 0.281 1.00 0.19 H new ATOM 0 HG21 ILE A 60 -2.725 2.174 -0.603 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -2.581 1.815 -2.340 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -3.090 0.540 -1.207 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -0.254 1.147 2.262 1.00 0.67 H new ATOM 0 HD12 ILE A 60 0.551 2.039 0.949 1.00 0.67 H new ATOM 0 HD13 ILE A 60 -1.164 2.346 1.312 1.00 0.67 H new ATOM 947 N TYR A 61 -1.320 0.848 -4.245 1.00 0.22 N ATOM 948 CA TYR A 61 -2.127 0.926 -5.453 1.00 0.24 C ATOM 949 C TYR A 61 -2.046 -0.395 -6.216 1.00 0.25 C ATOM 950 O TYR A 61 -2.997 -0.794 -6.885 1.00 0.27 O ATOM 951 CB TYR A 61 -1.643 2.099 -6.320 1.00 0.27 C ATOM 952 CG TYR A 61 -1.773 1.895 -7.818 1.00 0.22 C ATOM 953 CD1 TYR A 61 -0.781 1.242 -8.542 1.00 0.26 C ATOM 954 CD2 TYR A 61 -2.880 2.376 -8.508 1.00 0.24 C ATOM 955 CE1 TYR A 61 -0.891 1.071 -9.909 1.00 0.30 C ATOM 956 CE2 TYR A 61 -2.995 2.210 -9.876 1.00 0.27 C ATOM 957 CZ TYR A 61 -1.999 1.559 -10.570 1.00 0.30 C ATOM 958 OH TYR A 61 -2.109 1.393 -11.932 1.00 0.38 O ATOM 0 H TYR A 61 -0.616 1.582 -4.163 1.00 0.22 H new ATOM 0 HA TYR A 61 -3.170 1.101 -5.189 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -2.204 2.991 -6.041 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -0.597 2.295 -6.086 1.00 0.27 H new ATOM 0 HD1 TYR A 61 0.089 0.862 -8.028 1.00 0.26 H new ATOM 0 HD2 TYR A 61 -3.662 2.887 -7.967 1.00 0.24 H new ATOM 0 HE1 TYR A 61 -0.114 0.558 -10.457 1.00 0.30 H new ATOM 0 HE2 TYR A 61 -3.861 2.589 -10.398 1.00 0.27 H new ATOM 0 HH TYR A 61 -2.948 1.792 -12.244 1.00 0.38 H new ATOM 968 N LEU A 62 -0.902 -1.072 -6.102 1.00 0.25 N ATOM 969 CA LEU A 62 -0.704 -2.354 -6.782 1.00 0.26 C ATOM 970 C LEU A 62 -1.636 -3.424 -6.224 1.00 0.25 C ATOM 971 O LEU A 62 -2.385 -4.061 -6.969 1.00 0.28 O ATOM 972 CB LEU A 62 0.745 -2.830 -6.643 1.00 0.30 C ATOM 973 CG LEU A 62 1.809 -1.786 -6.989 1.00 0.54 C ATOM 974 CD1 LEU A 62 3.193 -2.298 -6.627 1.00 0.55 C ATOM 975 CD2 LEU A 62 1.746 -1.429 -8.466 1.00 0.91 C ATOM 0 H LEU A 62 -0.104 -0.758 -5.550 1.00 0.25 H new ATOM 0 HA LEU A 62 -0.933 -2.197 -7.836 1.00 0.26 H new ATOM 0 HB2 LEU A 62 0.905 -3.162 -5.617 1.00 0.30 H new ATOM 0 HB3 LEU A 62 0.889 -3.699 -7.285 1.00 0.30 H new ATOM 0 HG LEU A 62 1.609 -0.886 -6.408 1.00 0.54 H new ATOM 0 HD11 LEU A 62 3.938 -1.543 -6.880 1.00 0.55 H new ATOM 0 HD12 LEU A 62 3.236 -2.506 -5.558 1.00 0.55 H new ATOM 0 HD13 LEU A 62 3.400 -3.212 -7.183 1.00 0.55 H new ATOM 0 HD21 LEU A 62 2.510 -0.685 -8.693 1.00 0.91 H new ATOM 0 HD22 LEU A 62 1.921 -2.323 -9.064 1.00 0.91 H new ATOM 0 HD23 LEU A 62 0.762 -1.022 -8.700 1.00 0.91 H new ATOM 987 N ALA A 63 -1.590 -3.619 -4.907 1.00 0.25 N ATOM 988 CA ALA A 63 -2.435 -4.612 -4.258 1.00 0.29 C ATOM 989 C ALA A 63 -3.898 -4.261 -4.452 1.00 0.23 C ATOM 990 O ALA A 63 -4.772 -5.126 -4.404 1.00 0.29 O ATOM 991 CB ALA A 63 -2.103 -4.715 -2.778 1.00 0.41 C ATOM 0 H ALA A 63 -0.979 -3.104 -4.274 1.00 0.25 H new ATOM 0 HA ALA A 63 -2.245 -5.582 -4.717 1.00 0.29 H new ATOM 0 HB1 ALA A 63 -2.746 -5.462 -2.312 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -1.060 -5.008 -2.659 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -2.265 -3.749 -2.301 1.00 0.41 H new ATOM 997 N LEU A 64 -4.150 -2.978 -4.679 1.00 0.19 N ATOM 998 CA LEU A 64 -5.503 -2.484 -4.894 1.00 0.22 C ATOM 999 C LEU A 64 -5.907 -2.631 -6.356 1.00 0.27 C ATOM 1000 O LEU A 64 -7.090 -2.603 -6.691 1.00 0.43 O ATOM 1001 CB LEU A 64 -5.603 -1.016 -4.480 1.00 0.31 C ATOM 1002 CG LEU A 64 -6.212 -0.768 -3.104 1.00 0.27 C ATOM 1003 CD1 LEU A 64 -5.329 0.169 -2.303 1.00 0.57 C ATOM 1004 CD2 LEU A 64 -7.611 -0.193 -3.237 1.00 0.42 C ATOM 0 H LEU A 64 -3.430 -2.257 -4.719 1.00 0.19 H new ATOM 0 HA LEU A 64 -6.181 -3.078 -4.281 1.00 0.22 H new ATOM 0 HB2 LEU A 64 -4.604 -0.581 -4.501 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -6.198 -0.485 -5.224 1.00 0.31 H new ATOM 0 HG LEU A 64 -6.281 -1.720 -2.577 1.00 0.27 H new ATOM 0 HD11 LEU A 64 -5.774 0.339 -1.322 1.00 0.57 H new ATOM 0 HD12 LEU A 64 -4.342 -0.277 -2.181 1.00 0.57 H new ATOM 0 HD13 LEU A 64 -5.236 1.119 -2.829 1.00 0.57 H new ATOM 0 HD21 LEU A 64 -8.030 -0.022 -2.245 1.00 0.42 H new ATOM 0 HD22 LEU A 64 -7.566 0.751 -3.779 1.00 0.42 H new ATOM 0 HD23 LEU A 64 -8.242 -0.895 -3.782 1.00 0.42 H new ATOM 1016 N GLN A 65 -4.909 -2.771 -7.223 1.00 0.22 N ATOM 1017 CA GLN A 65 -5.153 -2.906 -8.655 1.00 0.26 C ATOM 1018 C GLN A 65 -5.809 -4.241 -8.993 1.00 0.25 C ATOM 1019 O GLN A 65 -6.829 -4.282 -9.682 1.00 0.29 O ATOM 1020 CB GLN A 65 -3.843 -2.763 -9.428 1.00 0.29 C ATOM 1021 CG GLN A 65 -3.514 -1.327 -9.792 1.00 0.34 C ATOM 1022 CD GLN A 65 -4.178 -0.887 -11.082 1.00 0.49 C ATOM 1023 OE1 GLN A 65 -3.911 -1.436 -12.150 1.00 1.29 O ATOM 1024 NE2 GLN A 65 -5.051 0.109 -10.988 1.00 0.54 N ATOM 0 H GLN A 65 -3.924 -2.794 -6.959 1.00 0.22 H new ATOM 0 HA GLN A 65 -5.839 -2.111 -8.948 1.00 0.26 H new ATOM 0 HB2 GLN A 65 -3.030 -3.174 -8.830 1.00 0.29 H new ATOM 0 HB3 GLN A 65 -3.901 -3.358 -10.340 1.00 0.29 H new ATOM 0 HG2 GLN A 65 -3.830 -0.669 -8.982 1.00 0.34 H new ATOM 0 HG3 GLN A 65 -2.434 -1.219 -9.888 1.00 0.34 H new ATOM 0 HE21 GLN A 65 -5.242 0.536 -10.081 1.00 0.54 H new ATOM 0 HE22 GLN A 65 -5.530 0.447 -11.822 1.00 0.54 H new ATOM 1033 N ASP A 66 -5.217 -5.332 -8.517 1.00 0.25 N ATOM 1034 CA ASP A 66 -5.752 -6.663 -8.787 1.00 0.28 C ATOM 1035 C ASP A 66 -6.545 -7.193 -7.598 1.00 0.26 C ATOM 1036 O ASP A 66 -6.910 -8.368 -7.558 1.00 0.37 O ATOM 1037 CB ASP A 66 -4.619 -7.631 -9.134 1.00 0.35 C ATOM 1038 CG ASP A 66 -3.862 -7.215 -10.382 1.00 0.51 C ATOM 1039 OD1 ASP A 66 -3.421 -6.048 -10.448 1.00 0.84 O ATOM 1040 OD2 ASP A 66 -3.710 -8.057 -11.290 1.00 0.75 O ATOM 0 H ASP A 66 -4.372 -5.322 -7.946 1.00 0.25 H new ATOM 0 HA ASP A 66 -6.428 -6.584 -9.638 1.00 0.28 H new ATOM 0 HB2 ASP A 66 -3.926 -7.690 -8.295 1.00 0.35 H new ATOM 0 HB3 ASP A 66 -5.030 -8.630 -9.278 1.00 0.35 H new ATOM 1045 N SER A 67 -6.810 -6.319 -6.631 1.00 0.24 N ATOM 1046 CA SER A 67 -7.560 -6.695 -5.439 1.00 0.25 C ATOM 1047 C SER A 67 -8.910 -7.306 -5.800 1.00 0.43 C ATOM 1048 O SER A 67 -9.207 -8.442 -5.427 1.00 1.15 O ATOM 1049 CB SER A 67 -7.774 -5.473 -4.550 1.00 0.23 C ATOM 1050 OG SER A 67 -8.334 -4.398 -5.283 1.00 1.26 O ATOM 0 H SER A 67 -6.515 -5.343 -6.651 1.00 0.24 H new ATOM 0 HA SER A 67 -6.978 -7.444 -4.902 1.00 0.25 H new ATOM 0 HB2 SER A 67 -8.432 -5.734 -3.721 1.00 0.23 H new ATOM 0 HB3 SER A 67 -6.823 -5.164 -4.116 1.00 0.23 H new ATOM 0 HG SER A 67 -7.723 -4.140 -6.004 1.00 1.26 H new ATOM 1056 N GLY A 68 -9.729 -6.542 -6.513 1.00 0.54 N ATOM 1057 CA GLY A 68 -11.043 -7.018 -6.894 1.00 0.53 C ATOM 1058 C GLY A 68 -12.137 -6.287 -6.162 1.00 0.52 C ATOM 1059 O GLY A 68 -12.443 -5.136 -6.471 1.00 0.69 O ATOM 0 H GLY A 68 -9.505 -5.600 -6.834 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -11.178 -6.892 -7.968 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -11.117 -8.085 -6.686 1.00 0.53 H new ATOM 1063 N LEU A 69 -12.726 -6.956 -5.189 1.00 0.47 N ATOM 1064 CA LEU A 69 -13.784 -6.382 -4.402 1.00 0.48 C ATOM 1065 C LEU A 69 -13.252 -5.979 -3.037 1.00 0.45 C ATOM 1066 O LEU A 69 -12.844 -4.838 -2.823 1.00 0.55 O ATOM 1067 CB LEU A 69 -14.887 -7.414 -4.247 1.00 0.49 C ATOM 1068 CG LEU A 69 -16.198 -7.116 -4.981 1.00 1.04 C ATOM 1069 CD1 LEU A 69 -17.219 -8.208 -4.708 1.00 1.59 C ATOM 1070 CD2 LEU A 69 -16.751 -5.755 -4.584 1.00 1.85 C ATOM 0 H LEU A 69 -12.480 -7.911 -4.928 1.00 0.47 H new ATOM 0 HA LEU A 69 -14.176 -5.494 -4.897 1.00 0.48 H new ATOM 0 HB2 LEU A 69 -14.509 -8.375 -4.596 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -15.106 -7.525 -3.185 1.00 0.49 H new ATOM 0 HG LEU A 69 -15.989 -7.094 -6.051 1.00 1.04 H new ATOM 0 HD11 LEU A 69 -18.145 -7.981 -5.237 1.00 1.59 H new ATOM 0 HD12 LEU A 69 -16.829 -9.165 -5.054 1.00 1.59 H new ATOM 0 HD13 LEU A 69 -17.417 -8.262 -3.637 1.00 1.59 H new ATOM 0 HD21 LEU A 69 -17.682 -5.570 -5.120 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -16.941 -5.738 -3.511 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -16.027 -4.980 -4.836 1.00 1.85 H new ATOM 1082 N GLU A 70 -13.247 -6.937 -2.121 1.00 0.36 N ATOM 1083 CA GLU A 70 -12.754 -6.706 -0.777 1.00 0.33 C ATOM 1084 C GLU A 70 -11.510 -7.538 -0.530 1.00 0.29 C ATOM 1085 O GLU A 70 -11.544 -8.765 -0.624 1.00 0.32 O ATOM 1086 CB GLU A 70 -13.823 -7.062 0.252 1.00 0.34 C ATOM 1087 CG GLU A 70 -14.608 -8.309 -0.109 1.00 0.88 C ATOM 1088 CD GLU A 70 -15.689 -8.633 0.903 1.00 0.89 C ATOM 1089 OE1 GLU A 70 -15.349 -9.123 2.000 1.00 1.13 O ATOM 1090 OE2 GLU A 70 -16.878 -8.395 0.600 1.00 1.31 O ATOM 0 H GLU A 70 -13.582 -7.886 -2.289 1.00 0.36 H new ATOM 0 HA GLU A 70 -12.506 -5.649 -0.676 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -13.349 -7.207 1.223 1.00 0.34 H new ATOM 0 HB3 GLU A 70 -14.512 -6.224 0.355 1.00 0.34 H new ATOM 0 HG2 GLU A 70 -15.063 -8.175 -1.090 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -13.924 -9.154 -0.187 1.00 0.88 H new ATOM 1097 N VAL A 71 -10.412 -6.869 -0.221 1.00 0.26 N ATOM 1098 CA VAL A 71 -9.161 -7.555 0.038 1.00 0.23 C ATOM 1099 C VAL A 71 -8.501 -7.044 1.305 1.00 0.22 C ATOM 1100 O VAL A 71 -8.933 -6.057 1.894 1.00 0.30 O ATOM 1101 CB VAL A 71 -8.171 -7.389 -1.125 1.00 0.27 C ATOM 1102 CG1 VAL A 71 -8.758 -7.959 -2.405 1.00 0.33 C ATOM 1103 CG2 VAL A 71 -7.807 -5.926 -1.304 1.00 0.41 C ATOM 0 H VAL A 71 -10.363 -5.853 -0.144 1.00 0.26 H new ATOM 0 HA VAL A 71 -9.410 -8.610 0.154 1.00 0.23 H new ATOM 0 HB VAL A 71 -7.261 -7.942 -0.891 1.00 0.27 H new ATOM 0 HG11 VAL A 71 -8.045 -7.834 -3.220 1.00 0.33 H new ATOM 0 HG12 VAL A 71 -8.970 -9.019 -2.268 1.00 0.33 H new ATOM 0 HG13 VAL A 71 -9.682 -7.433 -2.647 1.00 0.33 H new ATOM 0 HG21 VAL A 71 -7.105 -5.824 -2.132 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -8.707 -5.351 -1.519 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -7.347 -5.551 -0.390 1.00 0.41 H new ATOM 1113 N ASN A 72 -7.433 -7.718 1.692 1.00 0.19 N ATOM 1114 CA ASN A 72 -6.668 -7.346 2.861 1.00 0.19 C ATOM 1115 C ASN A 72 -5.373 -6.713 2.396 1.00 0.17 C ATOM 1116 O ASN A 72 -4.485 -7.402 1.901 1.00 0.19 O ATOM 1117 CB ASN A 72 -6.377 -8.576 3.724 1.00 0.22 C ATOM 1118 CG ASN A 72 -7.563 -8.983 4.576 1.00 0.31 C ATOM 1119 OD1 ASN A 72 -7.445 -9.141 5.791 1.00 0.53 O ATOM 1120 ND2 ASN A 72 -8.716 -9.158 3.940 1.00 0.63 N ATOM 0 H ASN A 72 -7.074 -8.538 1.203 1.00 0.19 H new ATOM 0 HA ASN A 72 -7.235 -6.639 3.467 1.00 0.19 H new ATOM 0 HB2 ASN A 72 -6.094 -9.409 3.080 1.00 0.22 H new ATOM 0 HB3 ASN A 72 -5.524 -8.369 4.370 1.00 0.22 H new ATOM 0 HD21 ASN A 72 -9.549 -9.434 4.460 1.00 0.63 H new ATOM 0 HD22 ASN A 72 -8.769 -9.016 2.931 1.00 0.63 H new ATOM 1127 N ILE A 73 -5.270 -5.400 2.525 1.00 0.15 N ATOM 1128 CA ILE A 73 -4.078 -4.711 2.078 1.00 0.15 C ATOM 1129 C ILE A 73 -3.109 -4.483 3.233 1.00 0.16 C ATOM 1130 O ILE A 73 -3.248 -3.567 4.048 1.00 0.17 O ATOM 1131 CB ILE A 73 -4.424 -3.374 1.384 1.00 0.14 C ATOM 1132 CG1 ILE A 73 -4.956 -3.659 -0.034 1.00 0.23 C ATOM 1133 CG2 ILE A 73 -3.213 -2.447 1.351 1.00 0.14 C ATOM 1134 CD1 ILE A 73 -4.344 -2.802 -1.124 1.00 1.11 C ATOM 0 H ILE A 73 -5.988 -4.800 2.930 1.00 0.15 H new ATOM 0 HA ILE A 73 -3.588 -5.351 1.344 1.00 0.15 H new ATOM 0 HB ILE A 73 -5.201 -2.863 1.953 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -4.776 -4.708 -0.271 1.00 0.23 H new ATOM 0 HG13 ILE A 73 -6.036 -3.512 -0.039 1.00 0.23 H new ATOM 0 HG21 ILE A 73 -3.483 -1.513 0.858 1.00 0.14 H new ATOM 0 HG22 ILE A 73 -2.887 -2.238 2.370 1.00 0.14 H new ATOM 0 HG23 ILE A 73 -2.403 -2.926 0.802 1.00 0.14 H new ATOM 0 HD11 ILE A 73 -4.778 -3.073 -2.086 1.00 1.11 H new ATOM 0 HD12 ILE A 73 -4.546 -1.751 -0.917 1.00 1.11 H new ATOM 0 HD13 ILE A 73 -3.267 -2.965 -1.153 1.00 1.11 H new ATOM 1146 N VAL A 74 -2.110 -5.342 3.265 1.00 0.19 N ATOM 1147 CA VAL A 74 -1.068 -5.285 4.281 1.00 0.24 C ATOM 1148 C VAL A 74 0.088 -4.439 3.780 1.00 0.20 C ATOM 1149 O VAL A 74 0.824 -4.855 2.887 1.00 0.22 O ATOM 1150 CB VAL A 74 -0.545 -6.690 4.640 1.00 0.33 C ATOM 1151 CG1 VAL A 74 0.219 -6.655 5.956 1.00 1.25 C ATOM 1152 CG2 VAL A 74 -1.691 -7.688 4.705 1.00 1.44 C ATOM 0 H VAL A 74 -1.994 -6.099 2.591 1.00 0.19 H new ATOM 0 HA VAL A 74 -1.503 -4.842 5.177 1.00 0.24 H new ATOM 0 HB VAL A 74 0.141 -7.013 3.857 1.00 0.33 H new ATOM 0 HG11 VAL A 74 0.581 -7.655 6.193 1.00 1.25 H new ATOM 0 HG12 VAL A 74 1.066 -5.975 5.867 1.00 1.25 H new ATOM 0 HG13 VAL A 74 -0.442 -6.310 6.751 1.00 1.25 H new ATOM 0 HG21 VAL A 74 -1.301 -8.674 4.960 1.00 1.44 H new ATOM 0 HG22 VAL A 74 -2.405 -7.373 5.465 1.00 1.44 H new ATOM 0 HG23 VAL A 74 -2.189 -7.734 3.736 1.00 1.44 H new ATOM 1162 N THR A 75 0.239 -3.244 4.338 1.00 0.20 N ATOM 1163 CA THR A 75 1.306 -2.353 3.904 1.00 0.19 C ATOM 1164 C THR A 75 1.934 -1.620 5.068 1.00 0.22 C ATOM 1165 O THR A 75 1.229 -1.093 5.929 1.00 0.30 O ATOM 1166 CB THR A 75 0.786 -1.306 2.901 1.00 0.19 C ATOM 1167 OG1 THR A 75 -0.400 -1.791 2.264 1.00 0.24 O ATOM 1168 CG2 THR A 75 1.841 -0.996 1.853 1.00 0.35 C ATOM 0 H THR A 75 -0.354 -2.874 5.081 1.00 0.20 H new ATOM 0 HA THR A 75 2.055 -2.985 3.427 1.00 0.19 H new ATOM 0 HB THR A 75 0.557 -0.390 3.445 1.00 0.19 H new ATOM 0 HG1 THR A 75 -1.120 -1.134 2.370 1.00 0.24 H new ATOM 0 HG21 THR A 75 1.453 -0.254 1.155 1.00 0.35 H new ATOM 0 HG22 THR A 75 2.734 -0.604 2.340 1.00 0.35 H new ATOM 0 HG23 THR A 75 2.094 -1.907 1.311 1.00 0.35 H new ATOM 1176 N ASP A 76 3.260 -1.556 5.084 1.00 0.19 N ATOM 1177 CA ASP A 76 3.932 -0.845 6.149 1.00 0.22 C ATOM 1178 C ASP A 76 3.993 0.630 5.799 1.00 0.22 C ATOM 1179 O ASP A 76 4.871 1.069 5.064 1.00 0.24 O ATOM 1180 CB ASP A 76 5.346 -1.396 6.346 1.00 0.26 C ATOM 1181 CG ASP A 76 5.452 -2.863 5.980 1.00 0.32 C ATOM 1182 OD1 ASP A 76 4.562 -3.641 6.381 1.00 0.46 O ATOM 1183 OD2 ASP A 76 6.427 -3.232 5.292 1.00 0.80 O ATOM 0 H ASP A 76 3.873 -1.979 4.387 1.00 0.19 H new ATOM 0 HA ASP A 76 3.378 -0.979 7.078 1.00 0.22 H new ATOM 0 HB2 ASP A 76 6.045 -0.821 5.738 1.00 0.26 H new ATOM 0 HB3 ASP A 76 5.644 -1.262 7.386 1.00 0.26 H new ATOM 1188 N SER A 77 3.053 1.389 6.342 1.00 0.27 N ATOM 1189 CA SER A 77 2.990 2.820 6.100 1.00 0.32 C ATOM 1190 C SER A 77 2.070 3.493 7.107 1.00 0.35 C ATOM 1191 O SER A 77 0.851 3.337 7.036 1.00 0.44 O ATOM 1192 CB SER A 77 2.505 3.098 4.676 1.00 0.40 C ATOM 1193 OG SER A 77 1.963 4.400 4.564 1.00 1.28 O ATOM 0 H SER A 77 2.320 1.034 6.956 1.00 0.27 H new ATOM 0 HA SER A 77 3.992 3.232 6.217 1.00 0.32 H new ATOM 0 HB2 SER A 77 3.335 2.986 3.978 1.00 0.40 H new ATOM 0 HB3 SER A 77 1.751 2.362 4.396 1.00 0.40 H new ATOM 0 HG SER A 77 1.810 4.611 3.619 1.00 1.28 H new ATOM 1199 N GLN A 78 2.639 4.244 8.035 1.00 0.31 N ATOM 1200 CA GLN A 78 1.827 4.931 9.027 1.00 0.34 C ATOM 1201 C GLN A 78 1.226 6.200 8.428 1.00 0.27 C ATOM 1202 O GLN A 78 0.333 6.814 9.015 1.00 0.26 O ATOM 1203 CB GLN A 78 2.641 5.239 10.285 1.00 0.47 C ATOM 1204 CG GLN A 78 4.094 5.583 10.010 1.00 1.04 C ATOM 1205 CD GLN A 78 5.051 4.837 10.918 1.00 1.57 C ATOM 1206 OE1 GLN A 78 4.847 4.762 12.128 1.00 1.97 O ATOM 1207 NE2 GLN A 78 6.107 4.280 10.334 1.00 1.88 N ATOM 0 H GLN A 78 3.644 4.393 8.123 1.00 0.31 H new ATOM 0 HA GLN A 78 1.009 4.274 9.323 1.00 0.34 H new ATOM 0 HB2 GLN A 78 2.175 6.071 10.813 1.00 0.47 H new ATOM 0 HB3 GLN A 78 2.602 4.377 10.951 1.00 0.47 H new ATOM 0 HG2 GLN A 78 4.328 5.350 8.971 1.00 1.04 H new ATOM 0 HG3 GLN A 78 4.240 6.656 10.137 1.00 1.04 H new ATOM 0 HE21 GLN A 78 6.237 4.367 9.326 1.00 1.88 H new ATOM 0 HE22 GLN A 78 6.787 3.766 10.894 1.00 1.88 H new ATOM 1216 N TYR A 79 1.696 6.569 7.233 1.00 0.27 N ATOM 1217 CA TYR A 79 1.175 7.745 6.540 1.00 0.28 C ATOM 1218 C TYR A 79 -0.126 7.372 5.863 1.00 0.23 C ATOM 1219 O TYR A 79 -1.154 8.002 6.094 1.00 0.23 O ATOM 1220 CB TYR A 79 2.171 8.271 5.505 1.00 0.37 C ATOM 1221 CG TYR A 79 2.523 9.731 5.686 1.00 0.59 C ATOM 1222 CD1 TYR A 79 1.548 10.718 5.603 1.00 0.86 C ATOM 1223 CD2 TYR A 79 3.832 10.123 5.939 1.00 0.85 C ATOM 1224 CE1 TYR A 79 1.868 12.052 5.769 1.00 1.07 C ATOM 1225 CE2 TYR A 79 4.158 11.455 6.105 1.00 1.07 C ATOM 1226 CZ TYR A 79 3.173 12.415 6.018 1.00 1.08 C ATOM 1227 OH TYR A 79 3.494 13.743 6.185 1.00 1.33 O ATOM 0 H TYR A 79 2.431 6.072 6.730 1.00 0.27 H new ATOM 0 HA TYR A 79 1.009 8.539 7.269 1.00 0.28 H new ATOM 0 HB2 TYR A 79 3.084 7.677 5.558 1.00 0.37 H new ATOM 0 HB3 TYR A 79 1.755 8.128 4.508 1.00 0.37 H new ATOM 0 HD1 TYR A 79 0.524 10.438 5.406 1.00 0.86 H new ATOM 0 HD2 TYR A 79 4.607 9.374 6.007 1.00 0.85 H new ATOM 0 HE1 TYR A 79 1.098 12.807 5.704 1.00 1.07 H new ATOM 0 HE2 TYR A 79 5.180 11.743 6.302 1.00 1.07 H new ATOM 0 HH TYR A 79 4.456 13.828 6.354 1.00 1.33 H new ATOM 1237 N ALA A 80 -0.087 6.301 5.071 1.00 0.22 N ATOM 1238 CA ALA A 80 -1.289 5.813 4.422 1.00 0.27 C ATOM 1239 C ALA A 80 -2.291 5.508 5.517 1.00 0.24 C ATOM 1240 O ALA A 80 -3.479 5.799 5.409 1.00 0.34 O ATOM 1241 CB ALA A 80 -0.995 4.571 3.593 1.00 0.34 C ATOM 0 H ALA A 80 0.757 5.764 4.869 1.00 0.22 H new ATOM 0 HA ALA A 80 -1.685 6.561 3.735 1.00 0.27 H new ATOM 0 HB1 ALA A 80 -1.913 4.226 3.117 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -0.257 4.811 2.827 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -0.604 3.786 4.240 1.00 0.34 H new ATOM 1247 N LEU A 81 -1.758 4.960 6.602 1.00 0.17 N ATOM 1248 CA LEU A 81 -2.542 4.643 7.782 1.00 0.21 C ATOM 1249 C LEU A 81 -3.398 5.846 8.163 1.00 0.18 C ATOM 1250 O LEU A 81 -4.560 5.708 8.540 1.00 0.24 O ATOM 1251 CB LEU A 81 -1.592 4.288 8.929 1.00 0.26 C ATOM 1252 CG LEU A 81 -2.227 3.641 10.159 1.00 0.85 C ATOM 1253 CD1 LEU A 81 -1.169 2.890 10.951 1.00 1.60 C ATOM 1254 CD2 LEU A 81 -2.893 4.692 11.034 1.00 1.83 C ATOM 0 H LEU A 81 -0.769 4.724 6.685 1.00 0.17 H new ATOM 0 HA LEU A 81 -3.197 3.796 7.579 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -0.828 3.613 8.544 1.00 0.26 H new ATOM 0 HB3 LEU A 81 -1.083 5.198 9.246 1.00 0.26 H new ATOM 0 HG LEU A 81 -2.991 2.937 9.829 1.00 0.85 H new ATOM 0 HD11 LEU A 81 -1.628 2.431 11.827 1.00 1.60 H new ATOM 0 HD12 LEU A 81 -0.727 2.115 10.324 1.00 1.60 H new ATOM 0 HD13 LEU A 81 -0.392 3.585 11.271 1.00 1.60 H new ATOM 0 HD21 LEU A 81 -3.339 4.211 11.905 1.00 1.83 H new ATOM 0 HD22 LEU A 81 -2.148 5.417 11.362 1.00 1.83 H new ATOM 0 HD23 LEU A 81 -3.669 5.202 10.463 1.00 1.83 H new ATOM 1266 N GLY A 82 -2.798 7.030 8.061 1.00 0.13 N ATOM 1267 CA GLY A 82 -3.493 8.259 8.391 1.00 0.16 C ATOM 1268 C GLY A 82 -4.378 8.778 7.267 1.00 0.17 C ATOM 1269 O GLY A 82 -5.525 9.156 7.504 1.00 0.20 O ATOM 0 H GLY A 82 -1.834 7.158 7.753 1.00 0.13 H new ATOM 0 HA2 GLY A 82 -4.105 8.094 9.278 1.00 0.16 H new ATOM 0 HA3 GLY A 82 -2.760 9.024 8.648 1.00 0.16 H new ATOM 1273 N ILE A 83 -3.844 8.823 6.043 1.00 0.17 N ATOM 1274 CA ILE A 83 -4.602 9.332 4.901 1.00 0.19 C ATOM 1275 C ILE A 83 -5.454 8.250 4.238 1.00 0.20 C ATOM 1276 O ILE A 83 -6.671 8.380 4.166 1.00 0.22 O ATOM 1277 CB ILE A 83 -3.677 9.950 3.830 1.00 0.24 C ATOM 1278 CG1 ILE A 83 -2.271 10.220 4.391 1.00 0.33 C ATOM 1279 CG2 ILE A 83 -4.293 11.231 3.286 1.00 0.44 C ATOM 1280 CD1 ILE A 83 -2.229 11.303 5.451 1.00 1.30 C ATOM 0 H ILE A 83 -2.897 8.515 5.820 1.00 0.17 H new ATOM 0 HA ILE A 83 -5.259 10.101 5.307 1.00 0.19 H new ATOM 0 HB ILE A 83 -3.573 9.233 3.016 1.00 0.24 H new ATOM 0 HG12 ILE A 83 -1.876 9.296 4.814 1.00 0.33 H new ATOM 0 HG13 ILE A 83 -1.611 10.503 3.571 1.00 0.33 H new ATOM 0 HG21 ILE A 83 -3.634 11.660 2.531 1.00 0.44 H new ATOM 0 HG22 ILE A 83 -5.261 11.007 2.837 1.00 0.44 H new ATOM 0 HG23 ILE A 83 -4.426 11.945 4.099 1.00 0.44 H new ATOM 0 HD11 ILE A 83 -1.204 11.434 5.797 1.00 1.30 H new ATOM 0 HD12 ILE A 83 -2.592 12.240 5.029 1.00 1.30 H new ATOM 0 HD13 ILE A 83 -2.861 11.015 6.291 1.00 1.30 H new ATOM 1292 N ILE A 84 -4.803 7.196 3.745 1.00 0.19 N ATOM 1293 CA ILE A 84 -5.497 6.094 3.072 1.00 0.21 C ATOM 1294 C ILE A 84 -6.678 5.578 3.895 1.00 0.26 C ATOM 1295 O ILE A 84 -7.637 5.037 3.345 1.00 0.35 O ATOM 1296 CB ILE A 84 -4.527 4.937 2.725 1.00 0.23 C ATOM 1297 CG1 ILE A 84 -4.725 4.501 1.263 1.00 0.26 C ATOM 1298 CG2 ILE A 84 -4.704 3.759 3.678 1.00 0.40 C ATOM 1299 CD1 ILE A 84 -5.984 3.690 1.027 1.00 0.58 C ATOM 0 H ILE A 84 -3.791 7.081 3.799 1.00 0.19 H new ATOM 0 HA ILE A 84 -5.892 6.495 2.139 1.00 0.21 H new ATOM 0 HB ILE A 84 -3.506 5.299 2.844 1.00 0.23 H new ATOM 0 HG12 ILE A 84 -4.753 5.388 0.630 1.00 0.26 H new ATOM 0 HG13 ILE A 84 -3.862 3.913 0.950 1.00 0.26 H new ATOM 0 HG21 ILE A 84 -4.009 2.964 3.407 1.00 0.40 H new ATOM 0 HG22 ILE A 84 -4.504 4.084 4.699 1.00 0.40 H new ATOM 0 HG23 ILE A 84 -5.726 3.386 3.610 1.00 0.40 H new ATOM 0 HD11 ILE A 84 -6.051 3.421 -0.027 1.00 0.58 H new ATOM 0 HD12 ILE A 84 -5.951 2.783 1.631 1.00 0.58 H new ATOM 0 HD13 ILE A 84 -6.856 4.282 1.307 1.00 0.58 H new ATOM 1311 N GLN A 85 -6.616 5.770 5.208 1.00 0.27 N ATOM 1312 CA GLN A 85 -7.698 5.345 6.089 1.00 0.31 C ATOM 1313 C GLN A 85 -8.766 6.430 6.155 1.00 0.32 C ATOM 1314 O GLN A 85 -9.951 6.149 6.336 1.00 0.40 O ATOM 1315 CB GLN A 85 -7.164 5.052 7.493 1.00 0.33 C ATOM 1316 CG GLN A 85 -8.219 4.525 8.451 1.00 0.49 C ATOM 1317 CD GLN A 85 -7.745 4.516 9.892 1.00 0.60 C ATOM 1318 OE1 GLN A 85 -7.172 5.491 10.375 1.00 1.11 O ATOM 1319 NE2 GLN A 85 -7.983 3.408 10.584 1.00 0.86 N ATOM 0 H GLN A 85 -5.832 6.215 5.684 1.00 0.27 H new ATOM 0 HA GLN A 85 -8.137 4.431 5.688 1.00 0.31 H new ATOM 0 HB2 GLN A 85 -6.356 4.324 7.420 1.00 0.33 H new ATOM 0 HB3 GLN A 85 -6.734 5.964 7.906 1.00 0.33 H new ATOM 0 HG2 GLN A 85 -9.116 5.139 8.371 1.00 0.49 H new ATOM 0 HG3 GLN A 85 -8.498 3.513 8.158 1.00 0.49 H new ATOM 0 HE21 GLN A 85 -8.462 2.623 10.142 1.00 0.86 H new ATOM 0 HE22 GLN A 85 -7.687 3.341 11.558 1.00 0.86 H new ATOM 1328 N ALA A 86 -8.323 7.673 6.004 1.00 0.30 N ATOM 1329 CA ALA A 86 -9.214 8.825 6.039 1.00 0.33 C ATOM 1330 C ALA A 86 -9.742 9.171 4.655 1.00 0.33 C ATOM 1331 O ALA A 86 -9.729 10.339 4.264 1.00 0.52 O ATOM 1332 CB ALA A 86 -8.502 10.022 6.650 1.00 0.38 C ATOM 0 H ALA A 86 -7.342 7.909 5.855 1.00 0.30 H new ATOM 0 HA ALA A 86 -10.070 8.564 6.661 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -9.179 10.876 6.670 1.00 0.38 H new ATOM 0 HB2 ALA A 86 -8.191 9.781 7.667 1.00 0.38 H new ATOM 0 HB3 ALA A 86 -7.625 10.268 6.052 1.00 0.38 H new ATOM 1338 N GLN A 87 -10.221 8.150 3.928 1.00 0.31 N ATOM 1339 CA GLN A 87 -10.768 8.353 2.587 1.00 0.31 C ATOM 1340 C GLN A 87 -10.026 9.486 1.905 1.00 0.31 C ATOM 1341 O GLN A 87 -10.570 10.577 1.726 1.00 0.35 O ATOM 1342 CB GLN A 87 -12.262 8.674 2.664 1.00 0.37 C ATOM 1343 CG GLN A 87 -13.041 7.726 3.560 1.00 0.71 C ATOM 1344 CD GLN A 87 -13.277 8.293 4.947 1.00 0.99 C ATOM 1345 OE1 GLN A 87 -14.394 8.680 5.291 1.00 1.63 O ATOM 1346 NE2 GLN A 87 -12.223 8.344 5.752 1.00 1.08 N ATOM 0 H GLN A 87 -10.239 7.182 4.248 1.00 0.31 H new ATOM 0 HA GLN A 87 -10.642 7.438 2.008 1.00 0.31 H new ATOM 0 HB2 GLN A 87 -12.388 9.693 3.030 1.00 0.37 H new ATOM 0 HB3 GLN A 87 -12.685 8.642 1.660 1.00 0.37 H new ATOM 0 HG2 GLN A 87 -14.001 7.501 3.096 1.00 0.71 H new ATOM 0 HG3 GLN A 87 -12.499 6.784 3.644 1.00 0.71 H new ATOM 0 HE21 GLN A 87 -11.315 8.012 5.426 1.00 1.08 H new ATOM 0 HE22 GLN A 87 -12.321 8.715 6.697 1.00 1.08 H new ATOM 1355 N PRO A 88 -8.758 9.257 1.538 1.00 0.29 N ATOM 1356 CA PRO A 88 -7.945 10.279 0.908 1.00 0.31 C ATOM 1357 C PRO A 88 -8.236 10.394 -0.583 1.00 0.42 C ATOM 1358 O PRO A 88 -7.347 10.690 -1.379 1.00 0.99 O ATOM 1359 CB PRO A 88 -6.533 9.774 1.154 1.00 0.37 C ATOM 1360 CG PRO A 88 -6.674 8.303 1.083 1.00 0.31 C ATOM 1361 CD PRO A 88 -8.008 7.997 1.717 1.00 0.27 C ATOM 0 HA PRO A 88 -8.129 11.277 1.305 1.00 0.31 H new ATOM 0 HB2 PRO A 88 -5.837 10.147 0.403 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -6.156 10.094 2.125 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -6.641 7.955 0.051 1.00 0.31 H new ATOM 0 HG3 PRO A 88 -5.863 7.805 1.614 1.00 0.31 H new ATOM 0 HD2 PRO A 88 -8.504 7.159 1.228 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -7.904 7.735 2.770 1.00 0.27 H new ATOM 1369 N ASP A 89 -9.492 10.144 -0.949 1.00 0.52 N ATOM 1370 CA ASP A 89 -9.922 10.205 -2.345 1.00 0.49 C ATOM 1371 C ASP A 89 -9.522 11.528 -2.979 1.00 0.46 C ATOM 1372 O ASP A 89 -9.464 11.652 -4.202 1.00 0.46 O ATOM 1373 CB ASP A 89 -11.442 10.028 -2.454 1.00 0.51 C ATOM 1374 CG ASP A 89 -12.106 9.739 -1.120 1.00 1.49 C ATOM 1375 OD1 ASP A 89 -11.734 8.737 -0.474 1.00 2.17 O ATOM 1376 OD2 ASP A 89 -13.001 10.514 -0.722 1.00 1.87 O ATOM 0 H ASP A 89 -10.234 9.896 -0.294 1.00 0.52 H new ATOM 0 HA ASP A 89 -9.428 9.392 -2.877 1.00 0.49 H new ATOM 0 HB2 ASP A 89 -11.877 10.931 -2.881 1.00 0.51 H new ATOM 0 HB3 ASP A 89 -11.658 9.213 -3.145 1.00 0.51 H new ATOM 1381 N GLN A 90 -9.264 12.521 -2.136 1.00 0.47 N ATOM 1382 CA GLN A 90 -8.889 13.845 -2.607 1.00 0.48 C ATOM 1383 C GLN A 90 -8.270 14.669 -1.481 1.00 0.47 C ATOM 1384 O GLN A 90 -8.249 15.900 -1.540 1.00 0.54 O ATOM 1385 CB GLN A 90 -10.124 14.564 -3.165 1.00 0.51 C ATOM 1386 CG GLN A 90 -11.447 14.007 -2.650 1.00 0.68 C ATOM 1387 CD GLN A 90 -11.525 13.975 -1.134 1.00 0.76 C ATOM 1388 OE1 GLN A 90 -11.613 15.019 -0.485 1.00 1.67 O ATOM 1389 NE2 GLN A 90 -11.492 12.776 -0.556 1.00 0.58 N ATOM 0 H GLN A 90 -9.308 12.432 -1.121 1.00 0.47 H new ATOM 0 HA GLN A 90 -8.145 13.734 -3.396 1.00 0.48 H new ATOM 0 HB2 GLN A 90 -10.063 15.622 -2.910 1.00 0.51 H new ATOM 0 HB3 GLN A 90 -10.111 14.497 -4.253 1.00 0.51 H new ATOM 0 HG2 GLN A 90 -12.266 14.613 -3.038 1.00 0.68 H new ATOM 0 HG3 GLN A 90 -11.586 12.998 -3.037 1.00 0.68 H new ATOM 0 HE21 GLN A 90 -11.419 11.935 -1.129 1.00 0.58 H new ATOM 0 HE22 GLN A 90 -11.540 12.698 0.460 1.00 0.58 H new ATOM 1398 N SER A 91 -7.784 13.987 -0.448 1.00 0.41 N ATOM 1399 CA SER A 91 -7.184 14.664 0.698 1.00 0.42 C ATOM 1400 C SER A 91 -5.697 14.345 0.854 1.00 0.37 C ATOM 1401 O SER A 91 -5.253 13.229 0.584 1.00 0.33 O ATOM 1402 CB SER A 91 -7.930 14.281 1.978 1.00 0.45 C ATOM 1403 OG SER A 91 -9.327 14.457 1.827 1.00 1.34 O ATOM 0 H SER A 91 -7.794 12.969 -0.380 1.00 0.41 H new ATOM 0 HA SER A 91 -7.270 15.736 0.520 1.00 0.42 H new ATOM 0 HB2 SER A 91 -7.717 13.242 2.230 1.00 0.45 H new ATOM 0 HB3 SER A 91 -7.571 14.890 2.808 1.00 0.45 H new ATOM 0 HG SER A 91 -9.780 14.204 2.658 1.00 1.34 H new ATOM 1409 N GLU A 92 -4.948 15.339 1.327 1.00 0.43 N ATOM 1410 CA GLU A 92 -3.511 15.204 1.572 1.00 0.41 C ATOM 1411 C GLU A 92 -2.756 14.599 0.383 1.00 0.37 C ATOM 1412 O GLU A 92 -2.923 15.036 -0.756 1.00 0.41 O ATOM 1413 CB GLU A 92 -3.276 14.369 2.831 1.00 0.38 C ATOM 1414 CG GLU A 92 -2.132 14.875 3.695 1.00 0.43 C ATOM 1415 CD GLU A 92 -2.606 15.767 4.826 1.00 0.98 C ATOM 1416 OE1 GLU A 92 -3.571 15.383 5.521 1.00 1.38 O ATOM 1417 OE2 GLU A 92 -2.012 16.849 5.018 1.00 1.49 O ATOM 0 H GLU A 92 -5.319 16.262 1.552 1.00 0.43 H new ATOM 0 HA GLU A 92 -3.114 16.209 1.714 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -4.190 14.357 3.424 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -3.072 13.339 2.540 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -1.591 14.024 4.110 1.00 0.43 H new ATOM 0 HG3 GLU A 92 -1.428 15.427 3.072 1.00 0.43 H new ATOM 1424 N SER A 93 -1.904 13.607 0.674 1.00 0.31 N ATOM 1425 CA SER A 93 -1.088 12.941 -0.336 1.00 0.29 C ATOM 1426 C SER A 93 -1.844 12.728 -1.645 1.00 0.26 C ATOM 1427 O SER A 93 -3.048 12.475 -1.651 1.00 0.26 O ATOM 1428 CB SER A 93 -0.590 11.601 0.209 1.00 0.28 C ATOM 1429 OG SER A 93 0.822 11.591 0.328 1.00 1.05 O ATOM 0 H SER A 93 -1.765 13.247 1.618 1.00 0.31 H new ATOM 0 HA SER A 93 -0.241 13.590 -0.558 1.00 0.29 H new ATOM 0 HB2 SER A 93 -1.041 11.411 1.183 1.00 0.28 H new ATOM 0 HB3 SER A 93 -0.908 10.795 -0.453 1.00 0.28 H new ATOM 0 HG SER A 93 1.221 11.355 -0.535 1.00 1.05 H new ATOM 1435 N GLU A 94 -1.116 12.838 -2.753 1.00 0.27 N ATOM 1436 CA GLU A 94 -1.693 12.665 -4.081 1.00 0.25 C ATOM 1437 C GLU A 94 -1.782 11.187 -4.451 1.00 0.22 C ATOM 1438 O GLU A 94 -2.655 10.775 -5.219 1.00 0.21 O ATOM 1439 CB GLU A 94 -0.850 13.410 -5.116 1.00 0.29 C ATOM 1440 CG GLU A 94 0.528 12.803 -5.336 1.00 1.17 C ATOM 1441 CD GLU A 94 0.784 12.447 -6.787 1.00 2.09 C ATOM 1442 OE1 GLU A 94 0.737 13.359 -7.639 1.00 2.12 O ATOM 1443 OE2 GLU A 94 1.032 11.257 -7.070 1.00 3.06 O ATOM 0 H GLU A 94 -0.118 13.048 -2.756 1.00 0.27 H new ATOM 0 HA GLU A 94 -2.702 13.077 -4.071 1.00 0.25 H new ATOM 0 HB2 GLU A 94 -1.386 13.425 -6.065 1.00 0.29 H new ATOM 0 HB3 GLU A 94 -0.734 14.446 -4.799 1.00 0.29 H new ATOM 0 HG2 GLU A 94 1.289 13.507 -4.999 1.00 1.17 H new ATOM 0 HG3 GLU A 94 0.628 11.907 -4.723 1.00 1.17 H new ATOM 1450 N LEU A 95 -0.870 10.396 -3.901 1.00 0.26 N ATOM 1451 CA LEU A 95 -0.837 8.969 -4.169 1.00 0.28 C ATOM 1452 C LEU A 95 -2.118 8.302 -3.709 1.00 0.25 C ATOM 1453 O LEU A 95 -2.802 7.636 -4.487 1.00 0.28 O ATOM 1454 CB LEU A 95 0.340 8.334 -3.445 1.00 0.34 C ATOM 1455 CG LEU A 95 1.164 7.346 -4.277 1.00 0.76 C ATOM 1456 CD1 LEU A 95 1.537 7.951 -5.625 1.00 1.74 C ATOM 1457 CD2 LEU A 95 2.415 6.935 -3.521 1.00 1.01 C ATOM 0 H LEU A 95 -0.142 10.722 -3.265 1.00 0.26 H new ATOM 0 HA LEU A 95 -0.732 8.830 -5.245 1.00 0.28 H new ATOM 0 HB2 LEU A 95 1.000 9.127 -3.094 1.00 0.34 H new ATOM 0 HB3 LEU A 95 -0.034 7.816 -2.562 1.00 0.34 H new ATOM 0 HG LEU A 95 0.554 6.460 -4.457 1.00 0.76 H new ATOM 0 HD11 LEU A 95 2.122 7.231 -6.198 1.00 1.74 H new ATOM 0 HD12 LEU A 95 0.630 8.201 -6.175 1.00 1.74 H new ATOM 0 HD13 LEU A 95 2.127 8.854 -5.468 1.00 1.74 H new ATOM 0 HD21 LEU A 95 2.991 6.233 -4.124 1.00 1.01 H new ATOM 0 HD22 LEU A 95 3.021 7.817 -3.314 1.00 1.01 H new ATOM 0 HD23 LEU A 95 2.133 6.460 -2.582 1.00 1.01 H new ATOM 1469 N VAL A 96 -2.431 8.487 -2.433 1.00 0.23 N ATOM 1470 CA VAL A 96 -3.626 7.904 -1.850 1.00 0.23 C ATOM 1471 C VAL A 96 -4.852 8.242 -2.683 1.00 0.25 C ATOM 1472 O VAL A 96 -5.816 7.481 -2.717 1.00 0.30 O ATOM 1473 CB VAL A 96 -3.852 8.406 -0.417 1.00 0.23 C ATOM 1474 CG1 VAL A 96 -3.163 7.502 0.589 1.00 0.33 C ATOM 1475 CG2 VAL A 96 -3.382 9.843 -0.267 1.00 0.31 C ATOM 0 H VAL A 96 -1.870 9.038 -1.783 1.00 0.23 H new ATOM 0 HA VAL A 96 -3.478 6.824 -1.832 1.00 0.23 H new ATOM 0 HB VAL A 96 -4.923 8.379 -0.215 1.00 0.23 H new ATOM 0 HG11 VAL A 96 -3.338 7.879 1.597 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -3.564 6.492 0.505 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -2.092 7.485 0.389 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -3.552 10.177 0.757 1.00 0.31 H new ATOM 0 HG22 VAL A 96 -2.318 9.904 -0.496 1.00 0.31 H new ATOM 0 HG23 VAL A 96 -3.938 10.481 -0.954 1.00 0.31 H new ATOM 1485 N ASN A 97 -4.805 9.384 -3.363 1.00 0.23 N ATOM 1486 CA ASN A 97 -5.914 9.806 -4.208 1.00 0.25 C ATOM 1487 C ASN A 97 -6.169 8.756 -5.280 1.00 0.25 C ATOM 1488 O ASN A 97 -7.284 8.251 -5.423 1.00 0.30 O ATOM 1489 CB ASN A 97 -5.605 11.152 -4.870 1.00 0.27 C ATOM 1490 CG ASN A 97 -6.146 12.336 -4.093 1.00 0.46 C ATOM 1491 OD1 ASN A 97 -6.747 13.243 -4.667 1.00 0.85 O ATOM 1492 ND2 ASN A 97 -5.929 12.336 -2.784 1.00 0.44 N ATOM 0 H ASN A 97 -4.015 10.029 -3.345 1.00 0.23 H new ATOM 0 HA ASN A 97 -6.802 9.918 -3.587 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -4.525 11.258 -4.977 1.00 0.27 H new ATOM 0 HB3 ASN A 97 -6.027 11.161 -5.875 1.00 0.27 H new ATOM 0 HD21 ASN A 97 -6.266 13.110 -2.211 1.00 0.44 H new ATOM 0 HD22 ASN A 97 -5.426 11.562 -2.351 1.00 0.44 H new ATOM 1499 N GLN A 98 -5.116 8.425 -6.022 1.00 0.25 N ATOM 1500 CA GLN A 98 -5.200 7.420 -7.078 1.00 0.27 C ATOM 1501 C GLN A 98 -5.575 6.063 -6.491 1.00 0.28 C ATOM 1502 O GLN A 98 -6.314 5.288 -7.099 1.00 0.32 O ATOM 1503 CB GLN A 98 -3.855 7.313 -7.801 1.00 0.31 C ATOM 1504 CG GLN A 98 -3.956 6.902 -9.264 1.00 0.62 C ATOM 1505 CD GLN A 98 -5.234 6.154 -9.593 1.00 1.03 C ATOM 1506 OE1 GLN A 98 -6.268 6.759 -9.875 1.00 1.85 O ATOM 1507 NE2 GLN A 98 -5.169 4.828 -9.560 1.00 1.52 N ATOM 0 H GLN A 98 -4.191 8.840 -5.911 1.00 0.25 H new ATOM 0 HA GLN A 98 -5.970 7.723 -7.787 1.00 0.27 H new ATOM 0 HB2 GLN A 98 -3.347 8.276 -7.741 1.00 0.31 H new ATOM 0 HB3 GLN A 98 -3.231 6.590 -7.276 1.00 0.31 H new ATOM 0 HG2 GLN A 98 -3.894 7.793 -9.889 1.00 0.62 H new ATOM 0 HG3 GLN A 98 -3.101 6.275 -9.517 1.00 0.62 H new ATOM 0 HE21 GLN A 98 -4.291 4.366 -9.321 1.00 1.52 H new ATOM 0 HE22 GLN A 98 -5.997 4.271 -9.773 1.00 1.52 H new ATOM 1516 N ILE A 99 -5.049 5.787 -5.305 1.00 0.28 N ATOM 1517 CA ILE A 99 -5.305 4.530 -4.615 1.00 0.32 C ATOM 1518 C ILE A 99 -6.778 4.387 -4.248 1.00 0.32 C ATOM 1519 O ILE A 99 -7.345 3.297 -4.329 1.00 0.43 O ATOM 1520 CB ILE A 99 -4.441 4.425 -3.338 1.00 0.36 C ATOM 1521 CG1 ILE A 99 -3.031 3.955 -3.690 1.00 0.35 C ATOM 1522 CG2 ILE A 99 -5.077 3.490 -2.317 1.00 0.48 C ATOM 1523 CD1 ILE A 99 -1.962 4.968 -3.354 1.00 0.43 C ATOM 0 H ILE A 99 -4.436 6.424 -4.797 1.00 0.28 H new ATOM 0 HA ILE A 99 -5.039 3.723 -5.298 1.00 0.32 H new ATOM 0 HB ILE A 99 -4.379 5.416 -2.889 1.00 0.36 H new ATOM 0 HG12 ILE A 99 -2.822 3.027 -3.159 1.00 0.35 H new ATOM 0 HG13 ILE A 99 -2.986 3.730 -4.755 1.00 0.35 H new ATOM 0 HG21 ILE A 99 -4.446 3.437 -1.430 1.00 0.48 H new ATOM 0 HG22 ILE A 99 -6.061 3.869 -2.040 1.00 0.48 H new ATOM 0 HG23 ILE A 99 -5.180 2.495 -2.749 1.00 0.48 H new ATOM 0 HD11 ILE A 99 -0.985 4.571 -3.629 1.00 0.43 H new ATOM 0 HD12 ILE A 99 -2.148 5.890 -3.906 1.00 0.43 H new ATOM 0 HD13 ILE A 99 -1.981 5.176 -2.284 1.00 0.43 H new ATOM 1535 N ILE A 100 -7.387 5.489 -3.833 1.00 0.28 N ATOM 1536 CA ILE A 100 -8.786 5.480 -3.440 1.00 0.30 C ATOM 1537 C ILE A 100 -9.708 5.341 -4.637 1.00 0.28 C ATOM 1538 O ILE A 100 -10.633 4.539 -4.617 1.00 0.29 O ATOM 1539 CB ILE A 100 -9.167 6.749 -2.672 1.00 0.33 C ATOM 1540 CG1 ILE A 100 -8.461 6.782 -1.315 1.00 0.35 C ATOM 1541 CG2 ILE A 100 -10.675 6.816 -2.504 1.00 0.37 C ATOM 1542 CD1 ILE A 100 -8.541 5.478 -0.547 1.00 0.32 C ATOM 0 H ILE A 100 -6.933 6.400 -3.760 1.00 0.28 H new ATOM 0 HA ILE A 100 -8.910 4.614 -2.790 1.00 0.30 H new ATOM 0 HB ILE A 100 -8.844 7.622 -3.239 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -7.413 7.038 -1.468 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -8.897 7.576 -0.709 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -10.940 7.721 -1.957 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -11.150 6.833 -3.485 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -11.018 5.943 -1.949 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -8.017 5.583 0.403 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -9.586 5.229 -0.360 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -8.078 4.683 -1.131 1.00 0.32 H new ATOM 1554 N GLU A 101 -9.460 6.134 -5.671 1.00 0.28 N ATOM 1555 CA GLU A 101 -10.282 6.084 -6.874 1.00 0.27 C ATOM 1556 C GLU A 101 -10.491 4.635 -7.293 1.00 0.25 C ATOM 1557 O GLU A 101 -11.596 4.228 -7.666 1.00 0.23 O ATOM 1558 CB GLU A 101 -9.629 6.886 -8.000 1.00 0.31 C ATOM 1559 CG GLU A 101 -10.233 8.270 -8.180 1.00 0.42 C ATOM 1560 CD GLU A 101 -11.250 8.319 -9.303 1.00 0.54 C ATOM 1561 OE1 GLU A 101 -10.841 8.515 -10.467 1.00 1.09 O ATOM 1562 OE2 GLU A 101 -12.456 8.161 -9.019 1.00 0.93 O ATOM 0 H GLU A 101 -8.702 6.815 -5.702 1.00 0.28 H new ATOM 0 HA GLU A 101 -11.253 6.531 -6.662 1.00 0.27 H new ATOM 0 HB2 GLU A 101 -8.563 6.986 -7.795 1.00 0.31 H new ATOM 0 HB3 GLU A 101 -9.723 6.332 -8.934 1.00 0.31 H new ATOM 0 HG2 GLU A 101 -10.709 8.579 -7.249 1.00 0.42 H new ATOM 0 HG3 GLU A 101 -9.437 8.986 -8.384 1.00 0.42 H new ATOM 1569 N GLN A 102 -9.424 3.848 -7.188 1.00 0.27 N ATOM 1570 CA GLN A 102 -9.488 2.434 -7.518 1.00 0.28 C ATOM 1571 C GLN A 102 -10.293 1.699 -6.454 1.00 0.26 C ATOM 1572 O GLN A 102 -11.036 0.763 -6.749 1.00 0.28 O ATOM 1573 CB GLN A 102 -8.077 1.850 -7.629 1.00 0.35 C ATOM 1574 CG GLN A 102 -7.706 1.405 -9.036 1.00 0.56 C ATOM 1575 CD GLN A 102 -8.081 2.423 -10.101 1.00 0.85 C ATOM 1576 OE1 GLN A 102 -8.453 2.059 -11.216 1.00 1.85 O ATOM 1577 NE2 GLN A 102 -7.986 3.705 -9.762 1.00 0.67 N ATOM 0 H GLN A 102 -8.507 4.168 -6.877 1.00 0.27 H new ATOM 0 HA GLN A 102 -9.982 2.311 -8.482 1.00 0.28 H new ATOM 0 HB2 GLN A 102 -7.357 2.596 -7.292 1.00 0.35 H new ATOM 0 HB3 GLN A 102 -7.992 0.998 -6.954 1.00 0.35 H new ATOM 0 HG2 GLN A 102 -6.633 1.219 -9.081 1.00 0.56 H new ATOM 0 HG3 GLN A 102 -8.202 0.460 -9.255 1.00 0.56 H new ATOM 0 HE21 GLN A 102 -7.673 3.963 -8.826 1.00 0.67 H new ATOM 0 HE22 GLN A 102 -8.226 4.430 -10.438 1.00 0.67 H new ATOM 1586 N LEU A 103 -10.158 2.161 -5.214 1.00 0.26 N ATOM 1587 CA LEU A 103 -10.885 1.585 -4.091 1.00 0.25 C ATOM 1588 C LEU A 103 -12.374 1.892 -4.223 1.00 0.26 C ATOM 1589 O LEU A 103 -13.220 1.189 -3.669 1.00 0.37 O ATOM 1590 CB LEU A 103 -10.353 2.150 -2.771 1.00 0.29 C ATOM 1591 CG LEU A 103 -10.235 1.143 -1.623 1.00 0.41 C ATOM 1592 CD1 LEU A 103 -9.542 1.783 -0.430 1.00 1.37 C ATOM 1593 CD2 LEU A 103 -11.606 0.618 -1.223 1.00 1.02 C ATOM 0 H LEU A 103 -9.547 2.938 -4.962 1.00 0.26 H new ATOM 0 HA LEU A 103 -10.740 0.505 -4.096 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -9.370 2.585 -2.952 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -11.007 2.962 -2.453 1.00 0.29 H new ATOM 0 HG LEU A 103 -9.635 0.300 -1.965 1.00 0.41 H new ATOM 0 HD11 LEU A 103 -9.465 1.056 0.379 1.00 1.37 H new ATOM 0 HD12 LEU A 103 -8.544 2.109 -0.721 1.00 1.37 H new ATOM 0 HD13 LEU A 103 -10.120 2.643 -0.091 1.00 1.37 H new ATOM 0 HD21 LEU A 103 -11.498 -0.096 -0.406 1.00 1.02 H new ATOM 0 HD22 LEU A 103 -12.233 1.448 -0.899 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -12.070 0.125 -2.077 1.00 1.02 H new ATOM 1605 N ILE A 104 -12.684 2.950 -4.968 1.00 0.26 N ATOM 1606 CA ILE A 104 -14.064 3.358 -5.185 1.00 0.30 C ATOM 1607 C ILE A 104 -14.796 2.334 -6.038 1.00 0.28 C ATOM 1608 O ILE A 104 -15.928 1.954 -5.737 1.00 0.34 O ATOM 1609 CB ILE A 104 -14.147 4.733 -5.878 1.00 0.37 C ATOM 1610 CG1 ILE A 104 -13.442 5.801 -5.038 1.00 0.37 C ATOM 1611 CG2 ILE A 104 -15.600 5.116 -6.125 1.00 0.45 C ATOM 1612 CD1 ILE A 104 -13.325 7.140 -5.735 1.00 0.43 C ATOM 0 H ILE A 104 -11.994 3.540 -5.432 1.00 0.26 H new ATOM 0 HA ILE A 104 -14.534 3.429 -4.204 1.00 0.30 H new ATOM 0 HB ILE A 104 -13.640 4.667 -6.841 1.00 0.37 H new ATOM 0 HG12 ILE A 104 -13.986 5.934 -4.103 1.00 0.37 H new ATOM 0 HG13 ILE A 104 -12.444 5.447 -4.779 1.00 0.37 H new ATOM 0 HG21 ILE A 104 -15.642 6.089 -6.615 1.00 0.45 H new ATOM 0 HG22 ILE A 104 -16.070 4.368 -6.764 1.00 0.45 H new ATOM 0 HG23 ILE A 104 -16.130 5.166 -5.174 1.00 0.45 H new ATOM 0 HD11 ILE A 104 -12.815 7.847 -5.081 1.00 0.43 H new ATOM 0 HD12 ILE A 104 -12.755 7.022 -6.656 1.00 0.43 H new ATOM 0 HD13 ILE A 104 -14.321 7.516 -5.970 1.00 0.43 H new ATOM 1624 N LYS A 105 -14.143 1.895 -7.110 1.00 0.24 N ATOM 1625 CA LYS A 105 -14.736 0.920 -8.013 1.00 0.29 C ATOM 1626 C LYS A 105 -14.690 -0.493 -7.428 1.00 0.29 C ATOM 1627 O LYS A 105 -14.933 -1.468 -8.140 1.00 0.31 O ATOM 1628 CB LYS A 105 -14.028 0.941 -9.370 1.00 0.36 C ATOM 1629 CG LYS A 105 -12.566 1.351 -9.300 1.00 0.53 C ATOM 1630 CD LYS A 105 -11.792 0.862 -10.515 1.00 0.62 C ATOM 1631 CE LYS A 105 -11.250 -0.543 -10.303 1.00 1.05 C ATOM 1632 NZ LYS A 105 -12.048 -1.563 -11.039 1.00 1.65 N ATOM 0 H LYS A 105 -13.205 2.199 -7.372 1.00 0.24 H new ATOM 0 HA LYS A 105 -15.781 1.198 -8.148 1.00 0.29 H new ATOM 0 HB2 LYS A 105 -14.095 -0.050 -9.818 1.00 0.36 H new ATOM 0 HB3 LYS A 105 -14.556 1.627 -10.033 1.00 0.36 H new ATOM 0 HG2 LYS A 105 -12.494 2.437 -9.234 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -12.116 0.946 -8.393 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -12.441 0.874 -11.390 1.00 0.62 H new ATOM 0 HD3 LYS A 105 -10.967 1.544 -10.721 1.00 0.62 H new ATOM 0 HE2 LYS A 105 -10.212 -0.586 -10.634 1.00 1.05 H new ATOM 0 HE3 LYS A 105 -11.255 -0.777 -9.238 1.00 1.05 H new ATOM 0 HZ1 LYS A 105 -11.502 -2.445 -11.112 1.00 1.65 H new ATOM 0 HZ2 LYS A 105 -12.934 -1.746 -10.527 1.00 1.65 H new ATOM 0 HZ3 LYS A 105 -12.266 -1.211 -11.993 1.00 1.65 H new ATOM 1646 N LYS A 106 -14.385 -0.608 -6.135 1.00 0.29 N ATOM 1647 CA LYS A 106 -14.325 -1.921 -5.490 1.00 0.32 C ATOM 1648 C LYS A 106 -15.055 -1.912 -4.149 1.00 0.35 C ATOM 1649 O LYS A 106 -15.848 -1.010 -3.873 1.00 0.56 O ATOM 1650 CB LYS A 106 -12.874 -2.372 -5.309 1.00 0.30 C ATOM 1651 CG LYS A 106 -12.081 -1.527 -4.330 1.00 0.38 C ATOM 1652 CD LYS A 106 -10.656 -2.038 -4.187 1.00 0.52 C ATOM 1653 CE LYS A 106 -9.795 -1.640 -5.377 1.00 0.68 C ATOM 1654 NZ LYS A 106 -10.115 -2.439 -6.592 1.00 1.27 N ATOM 0 H LYS A 106 -14.178 0.180 -5.521 1.00 0.29 H new ATOM 0 HA LYS A 106 -14.829 -2.634 -6.142 1.00 0.32 H new ATOM 0 HB2 LYS A 106 -12.866 -3.407 -4.968 1.00 0.30 H new ATOM 0 HB3 LYS A 106 -12.375 -2.352 -6.278 1.00 0.30 H new ATOM 0 HG2 LYS A 106 -12.066 -0.491 -4.669 1.00 0.38 H new ATOM 0 HG3 LYS A 106 -12.572 -1.536 -3.357 1.00 0.38 H new ATOM 0 HD2 LYS A 106 -10.217 -1.642 -3.271 1.00 0.52 H new ATOM 0 HD3 LYS A 106 -10.666 -3.124 -4.092 1.00 0.52 H new ATOM 0 HE2 LYS A 106 -9.941 -0.581 -5.591 1.00 0.68 H new ATOM 0 HE3 LYS A 106 -8.743 -1.772 -5.123 1.00 0.68 H new ATOM 0 HZ1 LYS A 106 -9.235 -2.678 -7.092 1.00 1.27 H new ATOM 0 HZ2 LYS A 106 -10.604 -3.314 -6.313 1.00 1.27 H new ATOM 0 HZ3 LYS A 106 -10.730 -1.884 -7.220 1.00 1.27 H new ATOM 1668 N GLU A 107 -14.802 -2.929 -3.325 1.00 0.33 N ATOM 1669 CA GLU A 107 -15.458 -3.034 -2.027 1.00 0.36 C ATOM 1670 C GLU A 107 -14.629 -2.396 -0.910 1.00 0.34 C ATOM 1671 O GLU A 107 -14.907 -1.272 -0.499 1.00 0.64 O ATOM 1672 CB GLU A 107 -15.785 -4.502 -1.699 1.00 0.42 C ATOM 1673 CG GLU A 107 -16.268 -4.718 -0.273 1.00 0.58 C ATOM 1674 CD GLU A 107 -17.770 -4.910 -0.189 1.00 0.89 C ATOM 1675 OE1 GLU A 107 -18.349 -5.489 -1.133 1.00 1.21 O ATOM 1676 OE2 GLU A 107 -18.368 -4.484 0.821 1.00 1.44 O ATOM 0 H GLU A 107 -14.151 -3.686 -3.534 1.00 0.33 H new ATOM 0 HA GLU A 107 -16.393 -2.477 -2.090 1.00 0.36 H new ATOM 0 HB2 GLU A 107 -16.550 -4.858 -2.390 1.00 0.42 H new ATOM 0 HB3 GLU A 107 -14.896 -5.109 -1.868 1.00 0.42 H new ATOM 0 HG2 GLU A 107 -15.770 -5.592 0.147 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -15.980 -3.862 0.338 1.00 0.58 H new ATOM 1683 N LYS A 108 -13.630 -3.111 -0.400 1.00 0.34 N ATOM 1684 CA LYS A 108 -12.820 -2.571 0.692 1.00 0.34 C ATOM 1685 C LYS A 108 -11.463 -3.260 0.817 1.00 0.37 C ATOM 1686 O LYS A 108 -11.330 -4.445 0.530 1.00 0.61 O ATOM 1687 CB LYS A 108 -13.577 -2.741 2.009 1.00 0.35 C ATOM 1688 CG LYS A 108 -13.920 -4.193 2.311 1.00 0.48 C ATOM 1689 CD LYS A 108 -14.509 -4.363 3.701 1.00 0.40 C ATOM 1690 CE LYS A 108 -16.005 -4.628 3.644 1.00 0.51 C ATOM 1691 NZ LYS A 108 -16.799 -3.388 3.856 1.00 1.23 N ATOM 0 H LYS A 108 -13.364 -4.044 -0.715 1.00 0.34 H new ATOM 0 HA LYS A 108 -12.639 -1.519 0.470 1.00 0.34 H new ATOM 0 HB2 LYS A 108 -12.975 -2.338 2.823 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -14.496 -2.156 1.972 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -14.630 -4.559 1.569 1.00 0.48 H new ATOM 0 HG3 LYS A 108 -13.022 -4.804 2.221 1.00 0.48 H new ATOM 0 HD2 LYS A 108 -14.011 -5.189 4.210 1.00 0.40 H new ATOM 0 HD3 LYS A 108 -14.320 -3.465 4.290 1.00 0.40 H new ATOM 0 HE2 LYS A 108 -16.260 -5.061 2.677 1.00 0.51 H new ATOM 0 HE3 LYS A 108 -16.272 -5.364 4.403 1.00 0.51 H new ATOM 0 HZ1 LYS A 108 -17.565 -3.578 4.533 1.00 1.23 H new ATOM 0 HZ2 LYS A 108 -16.182 -2.640 4.232 1.00 1.23 H new ATOM 0 HZ3 LYS A 108 -17.206 -3.078 2.951 1.00 1.23 H new ATOM 1705 N VAL A 109 -10.471 -2.510 1.295 1.00 0.20 N ATOM 1706 CA VAL A 109 -9.135 -3.052 1.513 1.00 0.22 C ATOM 1707 C VAL A 109 -8.698 -2.792 2.948 1.00 0.21 C ATOM 1708 O VAL A 109 -8.696 -1.652 3.413 1.00 0.23 O ATOM 1709 CB VAL A 109 -8.078 -2.469 0.548 1.00 0.24 C ATOM 1710 CG1 VAL A 109 -8.458 -2.761 -0.893 1.00 0.28 C ATOM 1711 CG2 VAL A 109 -7.909 -0.971 0.759 1.00 0.23 C ATOM 0 H VAL A 109 -10.570 -1.524 1.538 1.00 0.20 H new ATOM 0 HA VAL A 109 -9.199 -4.122 1.317 1.00 0.22 H new ATOM 0 HB VAL A 109 -7.124 -2.950 0.763 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -7.704 -2.344 -1.560 1.00 0.28 H new ATOM 0 HG12 VAL A 109 -8.518 -3.839 -1.042 1.00 0.28 H new ATOM 0 HG13 VAL A 109 -9.426 -2.310 -1.113 1.00 0.28 H new ATOM 0 HG21 VAL A 109 -7.159 -0.588 0.067 1.00 0.23 H new ATOM 0 HG22 VAL A 109 -8.859 -0.469 0.579 1.00 0.23 H new ATOM 0 HG23 VAL A 109 -7.587 -0.782 1.783 1.00 0.23 H new ATOM 1721 N TYR A 110 -8.334 -3.851 3.649 1.00 0.20 N ATOM 1722 CA TYR A 110 -7.899 -3.723 5.028 1.00 0.21 C ATOM 1723 C TYR A 110 -6.437 -3.297 5.058 1.00 0.22 C ATOM 1724 O TYR A 110 -5.543 -4.093 4.784 1.00 0.21 O ATOM 1725 CB TYR A 110 -8.126 -5.059 5.749 1.00 0.25 C ATOM 1726 CG TYR A 110 -7.093 -5.423 6.790 1.00 0.26 C ATOM 1727 CD1 TYR A 110 -7.034 -4.751 7.999 1.00 0.44 C ATOM 1728 CD2 TYR A 110 -6.193 -6.457 6.567 1.00 0.27 C ATOM 1729 CE1 TYR A 110 -6.107 -5.091 8.960 1.00 0.53 C ATOM 1730 CE2 TYR A 110 -5.261 -6.809 7.523 1.00 0.36 C ATOM 1731 CZ TYR A 110 -5.221 -6.123 8.720 1.00 0.48 C ATOM 1732 OH TYR A 110 -4.295 -6.469 9.677 1.00 0.59 O ATOM 0 H TYR A 110 -8.331 -4.805 3.288 1.00 0.20 H new ATOM 0 HA TYR A 110 -8.476 -2.958 5.547 1.00 0.21 H new ATOM 0 HB2 TYR A 110 -9.105 -5.031 6.228 1.00 0.25 H new ATOM 0 HB3 TYR A 110 -8.159 -5.853 5.003 1.00 0.25 H new ATOM 0 HD1 TYR A 110 -7.727 -3.946 8.192 1.00 0.44 H new ATOM 0 HD2 TYR A 110 -6.223 -6.994 5.631 1.00 0.27 H new ATOM 0 HE1 TYR A 110 -6.073 -4.553 9.896 1.00 0.53 H new ATOM 0 HE2 TYR A 110 -4.568 -7.616 7.335 1.00 0.36 H new ATOM 0 HH TYR A 110 -3.750 -7.215 9.350 1.00 0.59 H new ATOM 1742 N LEU A 111 -6.204 -2.028 5.371 1.00 0.25 N ATOM 1743 CA LEU A 111 -4.852 -1.489 5.412 1.00 0.30 C ATOM 1744 C LEU A 111 -4.334 -1.443 6.834 1.00 0.41 C ATOM 1745 O LEU A 111 -4.937 -0.810 7.702 1.00 0.64 O ATOM 1746 CB LEU A 111 -4.816 -0.090 4.798 1.00 0.50 C ATOM 1747 CG LEU A 111 -3.939 0.044 3.551 1.00 0.81 C ATOM 1748 CD1 LEU A 111 -4.745 0.603 2.391 1.00 1.76 C ATOM 1749 CD2 LEU A 111 -2.732 0.922 3.841 1.00 1.34 C ATOM 0 H LEU A 111 -6.934 -1.354 5.600 1.00 0.25 H new ATOM 0 HA LEU A 111 -4.208 -2.148 4.829 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -5.834 0.205 4.542 1.00 0.50 H new ATOM 0 HB3 LEU A 111 -4.461 0.613 5.552 1.00 0.50 H new ATOM 0 HG LEU A 111 -3.581 -0.947 3.272 1.00 0.81 H new ATOM 0 HD11 LEU A 111 -4.105 0.692 1.513 1.00 1.76 H new ATOM 0 HD12 LEU A 111 -5.576 -0.067 2.169 1.00 1.76 H new ATOM 0 HD13 LEU A 111 -5.133 1.586 2.658 1.00 1.76 H new ATOM 0 HD21 LEU A 111 -2.119 1.006 2.943 1.00 1.34 H new ATOM 0 HD22 LEU A 111 -3.068 1.913 4.146 1.00 1.34 H new ATOM 0 HD23 LEU A 111 -2.142 0.477 4.642 1.00 1.34 H new ATOM 1761 N ALA A 112 -3.222 -2.123 7.081 1.00 0.34 N ATOM 1762 CA ALA A 112 -2.659 -2.145 8.427 1.00 0.54 C ATOM 1763 C ALA A 112 -1.136 -2.069 8.443 1.00 0.41 C ATOM 1764 O ALA A 112 -0.458 -2.551 7.529 1.00 0.42 O ATOM 1765 CB ALA A 112 -3.123 -3.387 9.169 1.00 0.83 C ATOM 0 H ALA A 112 -2.701 -2.656 6.385 1.00 0.34 H new ATOM 0 HA ALA A 112 -3.025 -1.250 8.931 1.00 0.54 H new ATOM 0 HB1 ALA A 112 -2.696 -3.392 10.172 1.00 0.83 H new ATOM 0 HB2 ALA A 112 -4.211 -3.385 9.237 1.00 0.83 H new ATOM 0 HB3 ALA A 112 -2.795 -4.276 8.631 1.00 0.83 H new ATOM 1771 N TRP A 113 -0.617 -1.471 9.523 1.00 0.40 N ATOM 1772 CA TRP A 113 0.815 -1.330 9.731 1.00 0.46 C ATOM 1773 C TRP A 113 1.131 -1.144 11.216 1.00 0.85 C ATOM 1774 O TRP A 113 0.512 -0.324 11.897 1.00 1.15 O ATOM 1775 CB TRP A 113 1.380 -0.149 8.944 1.00 0.31 C ATOM 1776 CG TRP A 113 2.830 0.102 9.237 1.00 0.53 C ATOM 1777 CD1 TRP A 113 3.430 1.309 9.447 1.00 1.31 C ATOM 1778 CD2 TRP A 113 3.862 -0.887 9.362 1.00 1.12 C ATOM 1779 NE1 TRP A 113 4.772 1.133 9.688 1.00 1.23 N ATOM 1780 CE2 TRP A 113 5.061 -0.207 9.640 1.00 0.98 C ATOM 1781 CE3 TRP A 113 3.886 -2.283 9.259 1.00 2.26 C ATOM 1782 CZ2 TRP A 113 6.269 -0.876 9.819 1.00 1.57 C ATOM 1783 CZ3 TRP A 113 5.084 -2.943 9.439 1.00 3.00 C ATOM 1784 CH2 TRP A 113 6.260 -2.241 9.714 1.00 2.58 C ATOM 0 H TRP A 113 -1.184 -1.074 10.272 1.00 0.40 H new ATOM 0 HA TRP A 113 1.284 -2.246 9.372 1.00 0.46 H new ATOM 0 HB2 TRP A 113 1.256 -0.336 7.877 1.00 0.31 H new ATOM 0 HB3 TRP A 113 0.806 0.747 9.179 1.00 0.31 H new ATOM 0 HD1 TRP A 113 2.925 2.263 9.427 1.00 1.31 H new ATOM 0 HE1 TRP A 113 5.444 1.878 9.873 1.00 1.23 H new ATOM 0 HE3 TRP A 113 2.982 -2.834 9.042 1.00 2.26 H new ATOM 0 HZ2 TRP A 113 7.180 -0.337 10.033 1.00 1.57 H new ATOM 0 HZ3 TRP A 113 5.113 -4.020 9.366 1.00 3.00 H new ATOM 0 HH2 TRP A 113 7.182 -2.787 9.847 1.00 2.58 H new