USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1015 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 60 MET CE :methyl -116:sc= -0.16 (180deg=-1.2) USER MOD Set 1.2: A 111 MET CE :methyl -177:sc= -1.29 (180deg=-1.34) USER MOD Set 2.1: A 86 HIS : no HE2:sc= -0.258 X(o=-0.26,f=-0.67) USER MOD Set 2.2: A 88 MET CE :methyl -155:sc= 0 (180deg=-0.191) USER MOD Set 3.1: A 74 ASN : amide:sc= -0.414 K(o=-2.1,f=-7.5!) USER MOD Set 3.2: A 76 ASN : amide:sc= -1.7 K(o=-2.1,f=0.25) USER MOD Set 4.1: A 6 THR OG1 : rot -148:sc= 0.717 USER MOD Set 4.2: A 9 GLN : amide:sc= 0.811 X(o=1.5,f=1.5) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0803 K(o=-0.08,f=-2.6!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.802 X(o=-0.8,f=-0.41) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= -0.0187 (180deg=-0.313) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -4.32! C(o=-4.3!,f=-4.3!) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= 1.09 (180deg=0.228) USER MOD Single : A 50 THR OG1 : rot 180:sc=0.000585 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.74) USER MOD Single : A 59 ASN : amide:sc= -1.43! K(o=-1.4!,f=0.23) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.56) USER MOD Single : A 84 ASN : amide:sc= 1.13 K(o=1.1,f=-0.2) USER MOD Single : A 87 SER OG : rot 50:sc= 0.145 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 93 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00297 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 81:sc= 1.21 USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= -0.11 (180deg=-0.417) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 1.27 USER MOD Single : A 115 SER OG : rot 64:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N THR A 6 -5.528 -12.593 -5.834 1.00 54.53 N ATOM 65 CA THR A 6 -5.034 -11.247 -5.581 1.00 31.10 C ATOM 66 C THR A 6 -6.213 -10.258 -5.520 1.00 31.30 C ATOM 67 O THR A 6 -7.323 -10.581 -5.959 1.00 22.02 O ATOM 68 CB THR A 6 -3.972 -10.916 -6.650 1.00 64.02 C ATOM 69 OG1 THR A 6 -4.412 -11.197 -7.967 1.00 72.52 O ATOM 70 CG2 THR A 6 -2.715 -11.767 -6.440 1.00 22.11 C ATOM 0 HA THR A 6 -4.545 -11.167 -4.610 1.00 31.10 H new ATOM 0 HB THR A 6 -3.775 -9.850 -6.540 1.00 64.02 H new ATOM 0 HG1 THR A 6 -3.647 -11.467 -8.517 1.00 72.52 H new ATOM 0 HG21 THR A 6 -1.977 -11.520 -7.203 1.00 22.11 H new ATOM 0 HG22 THR A 6 -2.299 -11.564 -5.453 1.00 22.11 H new ATOM 0 HG23 THR A 6 -2.974 -12.823 -6.514 1.00 22.11 H new ATOM 78 N PHE A 7 -5.986 -9.029 -5.042 1.00 33.10 N ATOM 79 CA PHE A 7 -7.025 -8.001 -4.921 1.00 31.30 C ATOM 80 C PHE A 7 -7.732 -7.804 -6.260 1.00 73.11 C ATOM 81 O PHE A 7 -8.954 -7.864 -6.332 1.00 72.45 O ATOM 82 CB PHE A 7 -6.461 -6.682 -4.371 1.00 5.40 C ATOM 83 CG PHE A 7 -5.521 -5.933 -5.295 1.00 32.12 C ATOM 84 CD1 PHE A 7 -4.158 -6.272 -5.339 1.00 13.23 C ATOM 85 CD2 PHE A 7 -5.997 -4.865 -6.076 1.00 22.34 C ATOM 86 CE1 PHE A 7 -3.271 -5.549 -6.154 1.00 71.15 C ATOM 87 CE2 PHE A 7 -5.107 -4.124 -6.870 1.00 32.02 C ATOM 88 CZ PHE A 7 -3.744 -4.466 -6.915 1.00 33.04 C ATOM 0 H PHE A 7 -5.068 -8.718 -4.726 1.00 33.10 H new ATOM 0 HA PHE A 7 -7.763 -8.346 -4.197 1.00 31.30 H new ATOM 0 HB2 PHE A 7 -7.296 -6.027 -4.123 1.00 5.40 H new ATOM 0 HB3 PHE A 7 -5.934 -6.893 -3.440 1.00 5.40 H new ATOM 0 HD1 PHE A 7 -3.790 -7.094 -4.742 1.00 13.23 H new ATOM 0 HD2 PHE A 7 -7.048 -4.615 -6.065 1.00 22.34 H new ATOM 0 HE1 PHE A 7 -2.228 -5.825 -6.196 1.00 71.15 H new ATOM 0 HE2 PHE A 7 -5.471 -3.288 -7.449 1.00 32.02 H new ATOM 0 HZ PHE A 7 -3.063 -3.899 -7.532 1.00 33.04 H new ATOM 98 N LYS A 8 -6.962 -7.674 -7.347 1.00 54.11 N ATOM 99 CA LYS A 8 -7.485 -7.492 -8.701 1.00 22.12 C ATOM 100 C LYS A 8 -8.409 -8.635 -9.132 1.00 54.05 C ATOM 101 O LYS A 8 -9.218 -8.435 -10.045 1.00 21.11 O ATOM 102 CB LYS A 8 -6.342 -7.243 -9.702 1.00 53.45 C ATOM 103 CG LYS A 8 -5.118 -8.155 -9.498 1.00 32.20 C ATOM 104 CD LYS A 8 -4.151 -8.162 -10.687 1.00 70.34 C ATOM 105 CE LYS A 8 -3.723 -6.780 -11.192 1.00 4.43 C ATOM 106 NZ LYS A 8 -2.911 -6.023 -10.222 1.00 72.53 N ATOM 0 H LYS A 8 -5.943 -7.693 -7.307 1.00 54.11 H new ATOM 0 HA LYS A 8 -8.110 -6.599 -8.693 1.00 22.12 H new ATOM 0 HB2 LYS A 8 -6.722 -7.384 -10.714 1.00 53.45 H new ATOM 0 HB3 LYS A 8 -6.024 -6.203 -9.623 1.00 53.45 H new ATOM 0 HG2 LYS A 8 -4.581 -7.833 -8.606 1.00 32.20 H new ATOM 0 HG3 LYS A 8 -5.461 -9.173 -9.314 1.00 32.20 H new ATOM 0 HD2 LYS A 8 -3.258 -8.720 -10.405 1.00 70.34 H new ATOM 0 HD3 LYS A 8 -4.618 -8.703 -11.510 1.00 70.34 H new ATOM 0 HE2 LYS A 8 -3.155 -6.899 -12.114 1.00 4.43 H new ATOM 0 HE3 LYS A 8 -4.613 -6.201 -11.439 1.00 4.43 H new ATOM 0 HZ1 LYS A 8 -2.657 -5.100 -10.628 1.00 72.53 H new ATOM 0 HZ2 LYS A 8 -3.458 -5.879 -9.349 1.00 72.53 H new ATOM 0 HZ3 LYS A 8 -2.045 -6.556 -10.004 1.00 72.53 H new ATOM 120 N GLN A 9 -8.279 -9.832 -8.561 1.00 53.32 N ATOM 121 CA GLN A 9 -9.141 -10.965 -8.875 1.00 51.14 C ATOM 122 C GLN A 9 -10.431 -10.831 -8.063 1.00 52.32 C ATOM 123 O GLN A 9 -11.517 -10.958 -8.621 1.00 5.43 O ATOM 124 CB GLN A 9 -8.471 -12.306 -8.564 1.00 74.44 C ATOM 125 CG GLN A 9 -7.331 -12.608 -9.537 1.00 71.32 C ATOM 126 CD GLN A 9 -6.628 -13.893 -9.131 1.00 23.10 C ATOM 127 OE1 GLN A 9 -7.210 -14.972 -9.148 1.00 34.24 O ATOM 128 NE2 GLN A 9 -5.393 -13.795 -8.680 1.00 63.41 N ATOM 0 H GLN A 9 -7.566 -10.042 -7.862 1.00 53.32 H new ATOM 0 HA GLN A 9 -9.350 -10.952 -9.945 1.00 51.14 H new ATOM 0 HB2 GLN A 9 -8.085 -12.292 -7.545 1.00 74.44 H new ATOM 0 HB3 GLN A 9 -9.213 -13.103 -8.614 1.00 74.44 H new ATOM 0 HG2 GLN A 9 -7.722 -12.702 -10.550 1.00 71.32 H new ATOM 0 HG3 GLN A 9 -6.620 -11.782 -9.545 1.00 71.32 H new ATOM 0 HE21 GLN A 9 -4.923 -12.890 -8.673 1.00 63.41 H new ATOM 0 HE22 GLN A 9 -4.907 -14.624 -8.338 1.00 63.41 H new ATOM 137 N ARG A 10 -10.334 -10.546 -6.756 1.00 33.14 N ATOM 138 CA ARG A 10 -11.520 -10.416 -5.895 1.00 2.22 C ATOM 139 C ARG A 10 -12.278 -9.091 -6.073 1.00 61.25 C ATOM 140 O ARG A 10 -13.314 -8.893 -5.445 1.00 62.45 O ATOM 141 CB ARG A 10 -11.182 -10.689 -4.414 1.00 44.14 C ATOM 142 CG ARG A 10 -10.215 -9.699 -3.752 1.00 23.13 C ATOM 143 CD ARG A 10 -10.377 -9.688 -2.224 1.00 65.21 C ATOM 144 NE ARG A 10 -9.833 -10.917 -1.628 1.00 43.42 N ATOM 145 CZ ARG A 10 -10.511 -11.927 -1.069 1.00 2.12 C ATOM 146 NH1 ARG A 10 -11.828 -11.898 -0.911 1.00 44.21 N ATOM 147 NH2 ARG A 10 -9.865 -13.018 -0.679 1.00 54.34 N ATOM 0 H ARG A 10 -9.448 -10.401 -6.272 1.00 33.14 H new ATOM 0 HA ARG A 10 -12.210 -11.190 -6.230 1.00 2.22 H new ATOM 0 HB2 ARG A 10 -12.111 -10.694 -3.845 1.00 44.14 H new ATOM 0 HB3 ARG A 10 -10.756 -11.689 -4.338 1.00 44.14 H new ATOM 0 HG2 ARG A 10 -9.189 -9.965 -4.008 1.00 23.13 H new ATOM 0 HG3 ARG A 10 -10.393 -8.698 -4.145 1.00 23.13 H new ATOM 0 HD2 ARG A 10 -9.866 -8.820 -1.807 1.00 65.21 H new ATOM 0 HD3 ARG A 10 -11.432 -9.591 -1.967 1.00 65.21 H new ATOM 0 HE ARG A 10 -8.817 -11.011 -1.642 1.00 43.42 H new ATOM 0 HH11 ARG A 10 -12.361 -11.085 -1.220 1.00 44.21 H new ATOM 0 HH12 ARG A 10 -12.307 -12.688 -0.480 1.00 44.21 H new ATOM 0 HH21 ARG A 10 -8.855 -13.085 -0.805 1.00 54.34 H new ATOM 0 HH22 ARG A 10 -10.378 -13.790 -0.253 1.00 54.34 H new ATOM 161 N ARG A 11 -11.754 -8.151 -6.864 1.00 34.54 N ATOM 162 CA ARG A 11 -12.361 -6.864 -7.165 1.00 52.24 C ATOM 163 C ARG A 11 -12.051 -6.616 -8.628 1.00 63.53 C ATOM 164 O ARG A 11 -10.887 -6.381 -8.979 1.00 33.12 O ATOM 165 CB ARG A 11 -11.837 -5.700 -6.290 1.00 44.24 C ATOM 166 CG ARG A 11 -12.572 -5.532 -4.954 1.00 62.25 C ATOM 167 CD ARG A 11 -11.993 -6.392 -3.827 1.00 11.41 C ATOM 168 NE ARG A 11 -12.752 -6.234 -2.582 1.00 43.53 N ATOM 169 CZ ARG A 11 -13.814 -6.946 -2.194 1.00 32.30 C ATOM 170 NH1 ARG A 11 -14.318 -7.898 -2.978 1.00 4.53 N ATOM 171 NH2 ARG A 11 -14.369 -6.678 -1.021 1.00 41.53 N ATOM 0 H ARG A 11 -10.855 -8.278 -7.330 1.00 34.54 H new ATOM 0 HA ARG A 11 -13.429 -6.898 -6.951 1.00 52.24 H new ATOM 0 HB2 ARG A 11 -10.777 -5.860 -6.090 1.00 44.24 H new ATOM 0 HB3 ARG A 11 -11.918 -4.771 -6.855 1.00 44.24 H new ATOM 0 HG2 ARG A 11 -12.534 -4.484 -4.657 1.00 62.25 H new ATOM 0 HG3 ARG A 11 -13.623 -5.787 -5.092 1.00 62.25 H new ATOM 0 HD2 ARG A 11 -12.000 -7.440 -4.128 1.00 11.41 H new ATOM 0 HD3 ARG A 11 -10.952 -6.117 -3.657 1.00 11.41 H new ATOM 0 HE ARG A 11 -12.436 -5.503 -1.945 1.00 43.53 H new ATOM 0 HH11 ARG A 11 -13.893 -8.090 -3.885 1.00 4.53 H new ATOM 0 HH12 ARG A 11 -15.129 -8.435 -2.671 1.00 4.53 H new ATOM 0 HH21 ARG A 11 -13.985 -5.939 -0.432 1.00 41.53 H new ATOM 0 HH22 ARG A 11 -15.180 -7.210 -0.707 1.00 41.53 H new ATOM 185 N THR A 12 -13.051 -6.721 -9.498 1.00 2.33 N ATOM 186 CA THR A 12 -12.919 -6.490 -10.934 1.00 25.52 C ATOM 187 C THR A 12 -12.478 -5.031 -11.186 1.00 13.11 C ATOM 188 O THR A 12 -12.432 -4.232 -10.249 1.00 70.51 O ATOM 189 CB THR A 12 -14.225 -6.894 -11.639 1.00 51.12 C ATOM 190 OG1 THR A 12 -14.015 -6.843 -13.031 1.00 61.55 O ATOM 191 CG2 THR A 12 -15.429 -6.027 -11.254 1.00 45.05 C ATOM 0 H THR A 12 -13.998 -6.975 -9.218 1.00 2.33 H new ATOM 0 HA THR A 12 -12.138 -7.115 -11.366 1.00 25.52 H new ATOM 0 HB THR A 12 -14.473 -7.904 -11.313 1.00 51.12 H new ATOM 0 HG1 THR A 12 -14.839 -7.100 -13.496 1.00 61.55 H new ATOM 0 HG21 THR A 12 -16.313 -6.372 -11.791 1.00 45.05 H new ATOM 0 HG22 THR A 12 -15.604 -6.103 -10.181 1.00 45.05 H new ATOM 0 HG23 THR A 12 -15.228 -4.988 -11.516 1.00 45.05 H new ATOM 199 N PHE A 13 -12.112 -4.675 -12.423 1.00 43.24 N ATOM 200 CA PHE A 13 -11.667 -3.321 -12.772 1.00 30.41 C ATOM 201 C PHE A 13 -12.656 -2.254 -12.304 1.00 53.12 C ATOM 202 O PHE A 13 -12.252 -1.270 -11.692 1.00 32.14 O ATOM 203 CB PHE A 13 -11.422 -3.186 -14.280 1.00 65.14 C ATOM 204 CG PHE A 13 -10.841 -1.827 -14.631 1.00 73.52 C ATOM 205 CD1 PHE A 13 -9.462 -1.613 -14.476 1.00 11.32 C ATOM 206 CD2 PHE A 13 -11.670 -0.753 -15.012 1.00 72.45 C ATOM 207 CE1 PHE A 13 -8.913 -0.333 -14.659 1.00 65.51 C ATOM 208 CE2 PHE A 13 -11.117 0.526 -15.214 1.00 73.24 C ATOM 209 CZ PHE A 13 -9.740 0.738 -15.026 1.00 44.34 C ATOM 0 H PHE A 13 -12.116 -5.320 -13.213 1.00 43.24 H new ATOM 0 HA PHE A 13 -10.725 -3.158 -12.249 1.00 30.41 H new ATOM 0 HB2 PHE A 13 -10.741 -3.970 -14.610 1.00 65.14 H new ATOM 0 HB3 PHE A 13 -12.360 -3.331 -14.816 1.00 65.14 H new ATOM 0 HD1 PHE A 13 -8.818 -2.439 -14.214 1.00 11.32 H new ATOM 0 HD2 PHE A 13 -12.730 -0.911 -15.149 1.00 72.45 H new ATOM 0 HE1 PHE A 13 -7.854 -0.174 -14.517 1.00 65.51 H new ATOM 0 HE2 PHE A 13 -11.752 1.346 -15.514 1.00 73.24 H new ATOM 0 HZ PHE A 13 -9.320 1.723 -15.164 1.00 44.34 H new ATOM 219 N GLU A 14 -13.946 -2.477 -12.553 1.00 54.04 N ATOM 220 CA GLU A 14 -15.032 -1.573 -12.188 1.00 2.21 C ATOM 221 C GLU A 14 -15.013 -1.340 -10.680 1.00 32.54 C ATOM 222 O GLU A 14 -14.887 -0.210 -10.219 1.00 13.44 O ATOM 223 CB GLU A 14 -16.365 -2.179 -12.638 1.00 73.13 C ATOM 224 CG GLU A 14 -16.411 -2.445 -14.143 1.00 14.33 C ATOM 225 CD GLU A 14 -16.495 -1.162 -14.962 1.00 12.33 C ATOM 226 OE1 GLU A 14 -17.627 -0.638 -15.097 1.00 64.45 O ATOM 227 OE2 GLU A 14 -15.461 -0.714 -15.505 1.00 25.40 O ATOM 0 H GLU A 14 -14.272 -3.318 -13.029 1.00 54.04 H new ATOM 0 HA GLU A 14 -14.905 -0.611 -12.684 1.00 2.21 H new ATOM 0 HB2 GLU A 14 -16.535 -3.113 -12.102 1.00 73.13 H new ATOM 0 HB3 GLU A 14 -17.177 -1.504 -12.367 1.00 73.13 H new ATOM 0 HG2 GLU A 14 -15.522 -3.002 -14.437 1.00 14.33 H new ATOM 0 HG3 GLU A 14 -17.271 -3.074 -14.371 1.00 14.33 H new ATOM 234 N GLN A 15 -15.068 -2.420 -9.902 1.00 63.44 N ATOM 235 CA GLN A 15 -15.042 -2.365 -8.452 1.00 30.21 C ATOM 236 C GLN A 15 -13.729 -1.738 -7.961 1.00 54.43 C ATOM 237 O GLN A 15 -13.701 -1.186 -6.868 1.00 34.51 O ATOM 238 CB GLN A 15 -15.345 -3.735 -7.819 1.00 11.40 C ATOM 239 CG GLN A 15 -16.858 -3.964 -7.615 1.00 52.31 C ATOM 240 CD GLN A 15 -17.636 -4.407 -8.859 1.00 30.54 C ATOM 241 OE1 GLN A 15 -17.604 -3.779 -9.910 1.00 41.04 O ATOM 242 NE2 GLN A 15 -18.364 -5.510 -8.785 1.00 11.14 N ATOM 0 H GLN A 15 -15.133 -3.368 -10.272 1.00 63.44 H new ATOM 0 HA GLN A 15 -15.847 -1.712 -8.115 1.00 30.21 H new ATOM 0 HB2 GLN A 15 -14.943 -4.524 -8.455 1.00 11.40 H new ATOM 0 HB3 GLN A 15 -14.836 -3.810 -6.858 1.00 11.40 H new ATOM 0 HG2 GLN A 15 -16.991 -4.717 -6.838 1.00 52.31 H new ATOM 0 HG3 GLN A 15 -17.300 -3.040 -7.243 1.00 52.31 H new ATOM 0 HE21 GLN A 15 -18.398 -6.041 -7.915 1.00 11.14 H new ATOM 0 HE22 GLN A 15 -18.891 -5.829 -9.598 1.00 11.14 H new ATOM 251 N ARG A 16 -12.614 -1.874 -8.691 1.00 13.12 N ATOM 252 CA ARG A 16 -11.338 -1.292 -8.297 1.00 30.32 C ATOM 253 C ARG A 16 -11.436 0.213 -8.465 1.00 13.12 C ATOM 254 O ARG A 16 -11.140 0.916 -7.507 1.00 41.32 O ATOM 255 CB ARG A 16 -10.169 -1.871 -9.111 1.00 30.11 C ATOM 256 CG ARG A 16 -9.508 -3.055 -8.398 1.00 53.32 C ATOM 257 CD ARG A 16 -8.425 -3.697 -9.273 1.00 71.31 C ATOM 258 NE ARG A 16 -8.986 -4.715 -10.177 1.00 30.23 N ATOM 259 CZ ARG A 16 -8.651 -4.973 -11.444 1.00 30.23 C ATOM 260 NH1 ARG A 16 -7.972 -4.095 -12.173 1.00 11.23 N ATOM 261 NH2 ARG A 16 -9.003 -6.142 -11.966 1.00 4.13 N ATOM 0 H ARG A 16 -12.578 -2.391 -9.569 1.00 13.12 H new ATOM 0 HA ARG A 16 -11.132 -1.539 -7.255 1.00 30.32 H new ATOM 0 HB2 ARG A 16 -10.530 -2.191 -10.088 1.00 30.11 H new ATOM 0 HB3 ARG A 16 -9.427 -1.092 -9.285 1.00 30.11 H new ATOM 0 HG2 ARG A 16 -9.068 -2.718 -7.460 1.00 53.32 H new ATOM 0 HG3 ARG A 16 -10.264 -3.799 -8.146 1.00 53.32 H new ATOM 0 HD2 ARG A 16 -7.926 -2.925 -9.859 1.00 71.31 H new ATOM 0 HD3 ARG A 16 -7.667 -4.154 -8.637 1.00 71.31 H new ATOM 0 HE ARG A 16 -9.726 -5.298 -9.785 1.00 30.23 H new ATOM 0 HH11 ARG A 16 -7.695 -3.201 -11.767 1.00 11.23 H new ATOM 0 HH12 ARG A 16 -7.727 -4.315 -13.139 1.00 11.23 H new ATOM 0 HH21 ARG A 16 -9.517 -6.818 -11.402 1.00 4.13 H new ATOM 0 HH22 ARG A 16 -8.759 -6.364 -12.931 1.00 4.13 H new ATOM 275 N VAL A 17 -11.840 0.731 -9.627 1.00 73.41 N ATOM 276 CA VAL A 17 -11.950 2.178 -9.791 1.00 25.23 C ATOM 277 C VAL A 17 -12.980 2.715 -8.777 1.00 45.43 C ATOM 278 O VAL A 17 -12.755 3.759 -8.157 1.00 24.42 O ATOM 279 CB VAL A 17 -12.160 2.552 -11.273 1.00 22.12 C ATOM 280 CG1 VAL A 17 -13.475 2.079 -11.902 1.00 41.14 C ATOM 281 CG2 VAL A 17 -12.012 4.061 -11.447 1.00 45.22 C ATOM 0 H VAL A 17 -12.091 0.183 -10.450 1.00 73.41 H new ATOM 0 HA VAL A 17 -11.019 2.689 -9.547 1.00 25.23 H new ATOM 0 HB VAL A 17 -11.385 2.009 -11.814 1.00 22.12 H new ATOM 0 HG11 VAL A 17 -13.515 2.397 -12.944 1.00 41.14 H new ATOM 0 HG12 VAL A 17 -13.532 0.992 -11.852 1.00 41.14 H new ATOM 0 HG13 VAL A 17 -14.315 2.511 -11.358 1.00 41.14 H new ATOM 0 HG21 VAL A 17 -12.161 4.323 -12.495 1.00 45.22 H new ATOM 0 HG22 VAL A 17 -12.756 4.572 -10.836 1.00 45.22 H new ATOM 0 HG23 VAL A 17 -11.014 4.367 -11.135 1.00 45.22 H new ATOM 291 N GLU A 18 -14.047 1.950 -8.521 1.00 31.20 N ATOM 292 CA GLU A 18 -15.089 2.294 -7.566 1.00 5.01 C ATOM 293 C GLU A 18 -14.476 2.344 -6.159 1.00 21.51 C ATOM 294 O GLU A 18 -14.821 3.221 -5.375 1.00 23.31 O ATOM 295 CB GLU A 18 -16.204 1.250 -7.640 1.00 3.44 C ATOM 296 CG GLU A 18 -17.385 1.556 -6.715 1.00 11.31 C ATOM 297 CD GLU A 18 -18.419 0.439 -6.836 1.00 12.24 C ATOM 298 OE1 GLU A 18 -18.126 -0.718 -6.454 1.00 3.13 O ATOM 299 OE2 GLU A 18 -19.537 0.693 -7.343 1.00 53.11 O ATOM 0 H GLU A 18 -14.207 1.056 -8.986 1.00 31.20 H new ATOM 0 HA GLU A 18 -15.514 3.270 -7.799 1.00 5.01 H new ATOM 0 HB2 GLU A 18 -16.564 1.185 -8.667 1.00 3.44 H new ATOM 0 HB3 GLU A 18 -15.795 0.273 -7.383 1.00 3.44 H new ATOM 0 HG2 GLU A 18 -17.042 1.641 -5.684 1.00 11.31 H new ATOM 0 HG3 GLU A 18 -17.833 2.513 -6.982 1.00 11.31 H new ATOM 306 N ASP A 19 -13.549 1.439 -5.827 1.00 61.53 N ATOM 307 CA ASP A 19 -12.886 1.412 -4.525 1.00 51.34 C ATOM 308 C ASP A 19 -12.062 2.691 -4.381 1.00 12.21 C ATOM 309 O ASP A 19 -11.946 3.235 -3.280 1.00 21.42 O ATOM 310 CB ASP A 19 -11.904 0.235 -4.342 1.00 42.53 C ATOM 311 CG ASP A 19 -12.450 -1.152 -4.017 1.00 24.30 C ATOM 312 OD1 ASP A 19 -13.638 -1.322 -3.671 1.00 21.42 O ATOM 313 OD2 ASP A 19 -11.609 -2.087 -4.008 1.00 21.11 O ATOM 0 H ASP A 19 -13.238 0.702 -6.460 1.00 61.53 H new ATOM 0 HA ASP A 19 -13.677 1.310 -3.782 1.00 51.34 H new ATOM 0 HB2 ASP A 19 -11.320 0.150 -5.259 1.00 42.53 H new ATOM 0 HB3 ASP A 19 -11.210 0.508 -3.547 1.00 42.53 H new ATOM 318 N VAL A 20 -11.422 3.156 -5.461 1.00 52.45 N ATOM 319 CA VAL A 20 -10.626 4.373 -5.420 1.00 11.54 C ATOM 320 C VAL A 20 -11.538 5.540 -5.056 1.00 31.03 C ATOM 321 O VAL A 20 -11.335 6.162 -4.010 1.00 25.42 O ATOM 322 CB VAL A 20 -9.797 4.610 -6.698 1.00 51.12 C ATOM 323 CG1 VAL A 20 -8.859 5.789 -6.443 1.00 50.24 C ATOM 324 CG2 VAL A 20 -8.880 3.425 -7.013 1.00 50.14 C ATOM 0 H VAL A 20 -11.445 2.701 -6.373 1.00 52.45 H new ATOM 0 HA VAL A 20 -9.866 4.270 -4.646 1.00 11.54 H new ATOM 0 HB VAL A 20 -10.497 4.772 -7.518 1.00 51.12 H new ATOM 0 HG11 VAL A 20 -8.260 5.977 -7.334 1.00 50.24 H new ATOM 0 HG12 VAL A 20 -9.446 6.676 -6.206 1.00 50.24 H new ATOM 0 HG13 VAL A 20 -8.201 5.556 -5.606 1.00 50.24 H new ATOM 0 HG21 VAL A 20 -8.314 3.634 -7.921 1.00 50.14 H new ATOM 0 HG22 VAL A 20 -8.190 3.268 -6.184 1.00 50.14 H new ATOM 0 HG23 VAL A 20 -9.482 2.528 -7.159 1.00 50.14 H new ATOM 334 N ARG A 21 -12.550 5.835 -5.878 1.00 24.22 N ATOM 335 CA ARG A 21 -13.464 6.945 -5.603 1.00 5.44 C ATOM 336 C ARG A 21 -14.150 6.793 -4.249 1.00 70.22 C ATOM 337 O ARG A 21 -14.236 7.775 -3.524 1.00 54.33 O ATOM 338 CB ARG A 21 -14.472 7.153 -6.751 1.00 70.54 C ATOM 339 CG ARG A 21 -15.362 5.942 -7.067 1.00 71.13 C ATOM 340 CD ARG A 21 -16.667 5.872 -6.261 1.00 62.42 C ATOM 341 NE ARG A 21 -17.700 6.734 -6.839 1.00 50.23 N ATOM 342 CZ ARG A 21 -18.595 6.381 -7.769 1.00 22.53 C ATOM 343 NH1 ARG A 21 -18.630 5.125 -8.200 1.00 12.20 N ATOM 344 NH2 ARG A 21 -19.442 7.274 -8.259 1.00 70.45 N ATOM 0 H ARG A 21 -12.755 5.322 -6.735 1.00 24.22 H new ATOM 0 HA ARG A 21 -12.863 7.852 -5.547 1.00 5.44 H new ATOM 0 HB2 ARG A 21 -15.112 7.999 -6.502 1.00 70.54 H new ATOM 0 HB3 ARG A 21 -13.921 7.424 -7.652 1.00 70.54 H new ATOM 0 HG2 ARG A 21 -15.608 5.957 -8.129 1.00 71.13 H new ATOM 0 HG3 ARG A 21 -14.790 5.032 -6.885 1.00 71.13 H new ATOM 0 HD2 ARG A 21 -17.024 4.843 -6.233 1.00 62.42 H new ATOM 0 HD3 ARG A 21 -16.476 6.171 -5.230 1.00 62.42 H new ATOM 0 HE ARG A 21 -17.741 7.695 -6.500 1.00 50.23 H new ATOM 0 HH11 ARG A 21 -17.978 4.438 -7.822 1.00 12.20 H new ATOM 0 HH12 ARG A 21 -19.309 4.848 -8.909 1.00 12.20 H new ATOM 0 HH21 ARG A 21 -19.415 8.238 -7.928 1.00 70.45 H new ATOM 0 HH22 ARG A 21 -20.121 6.997 -8.968 1.00 70.45 H new ATOM 358 N LEU A 22 -14.565 5.585 -3.855 1.00 50.31 N ATOM 359 CA LEU A 22 -15.246 5.338 -2.586 1.00 64.45 C ATOM 360 C LEU A 22 -14.365 5.813 -1.430 1.00 74.21 C ATOM 361 O LEU A 22 -14.805 6.559 -0.552 1.00 25.22 O ATOM 362 CB LEU A 22 -15.587 3.843 -2.469 1.00 44.55 C ATOM 363 CG LEU A 22 -16.166 3.409 -1.112 1.00 4.32 C ATOM 364 CD1 LEU A 22 -17.484 4.114 -0.776 1.00 74.13 C ATOM 365 CD2 LEU A 22 -16.380 1.895 -1.141 1.00 51.25 C ATOM 0 H LEU A 22 -14.435 4.744 -4.417 1.00 50.31 H new ATOM 0 HA LEU A 22 -16.180 5.899 -2.545 1.00 64.45 H new ATOM 0 HB2 LEU A 22 -16.303 3.588 -3.250 1.00 44.55 H new ATOM 0 HB3 LEU A 22 -14.684 3.264 -2.663 1.00 44.55 H new ATOM 0 HG LEU A 22 -15.455 3.691 -0.335 1.00 4.32 H new ATOM 0 HD11 LEU A 22 -17.845 3.768 0.193 1.00 74.13 H new ATOM 0 HD12 LEU A 22 -17.321 5.191 -0.739 1.00 74.13 H new ATOM 0 HD13 LEU A 22 -18.225 3.885 -1.542 1.00 74.13 H new ATOM 0 HD21 LEU A 22 -16.791 1.567 -0.186 1.00 51.25 H new ATOM 0 HD22 LEU A 22 -17.075 1.641 -1.941 1.00 51.25 H new ATOM 0 HD23 LEU A 22 -15.427 1.396 -1.316 1.00 51.25 H new ATOM 377 N ILE A 23 -13.101 5.385 -1.417 1.00 53.13 N ATOM 378 CA ILE A 23 -12.142 5.771 -0.388 1.00 31.13 C ATOM 379 C ILE A 23 -11.874 7.278 -0.494 1.00 4.40 C ATOM 380 O ILE A 23 -11.768 7.943 0.535 1.00 12.34 O ATOM 381 CB ILE A 23 -10.895 4.864 -0.476 1.00 51.42 C ATOM 382 CG1 ILE A 23 -11.021 3.630 0.450 1.00 73.14 C ATOM 383 CG2 ILE A 23 -9.593 5.593 -0.124 1.00 34.10 C ATOM 384 CD1 ILE A 23 -12.166 2.670 0.104 1.00 42.43 C ATOM 0 H ILE A 23 -12.715 4.759 -2.124 1.00 53.13 H new ATOM 0 HA ILE A 23 -12.534 5.614 0.617 1.00 31.13 H new ATOM 0 HB ILE A 23 -10.848 4.551 -1.519 1.00 51.42 H new ATOM 0 HG12 ILE A 23 -10.082 3.076 0.421 1.00 73.14 H new ATOM 0 HG13 ILE A 23 -11.155 3.976 1.475 1.00 73.14 H new ATOM 0 HG21 ILE A 23 -8.755 4.901 -0.205 1.00 34.10 H new ATOM 0 HG22 ILE A 23 -9.444 6.425 -0.812 1.00 34.10 H new ATOM 0 HG23 ILE A 23 -9.653 5.972 0.896 1.00 34.10 H new ATOM 0 HD11 ILE A 23 -12.170 1.839 0.810 1.00 42.43 H new ATOM 0 HD12 ILE A 23 -13.116 3.201 0.163 1.00 42.43 H new ATOM 0 HD13 ILE A 23 -12.027 2.287 -0.907 1.00 42.43 H new ATOM 396 N ARG A 24 -11.781 7.854 -1.697 1.00 44.22 N ATOM 397 CA ARG A 24 -11.544 9.292 -1.859 1.00 2.31 C ATOM 398 C ARG A 24 -12.743 10.105 -1.353 1.00 71.25 C ATOM 399 O ARG A 24 -12.576 11.249 -0.938 1.00 43.43 O ATOM 400 CB ARG A 24 -11.253 9.632 -3.332 1.00 52.33 C ATOM 401 CG ARG A 24 -10.051 8.913 -3.982 1.00 71.34 C ATOM 402 CD ARG A 24 -8.949 9.864 -4.448 1.00 34.32 C ATOM 403 NE ARG A 24 -8.181 10.380 -3.305 1.00 23.32 N ATOM 404 CZ ARG A 24 -7.644 11.606 -3.202 1.00 43.12 C ATOM 405 NH1 ARG A 24 -7.611 12.440 -4.233 1.00 13.22 N ATOM 406 NH2 ARG A 24 -7.130 12.021 -2.056 1.00 70.12 N ATOM 0 H ARG A 24 -11.867 7.344 -2.576 1.00 44.22 H new ATOM 0 HA ARG A 24 -10.672 9.558 -1.262 1.00 2.31 H new ATOM 0 HB2 ARG A 24 -12.144 9.404 -3.917 1.00 52.33 H new ATOM 0 HB3 ARG A 24 -11.089 10.707 -3.408 1.00 52.33 H new ATOM 0 HG2 ARG A 24 -9.631 8.206 -3.267 1.00 71.34 H new ATOM 0 HG3 ARG A 24 -10.403 8.332 -4.835 1.00 71.34 H new ATOM 0 HD2 ARG A 24 -8.281 9.344 -5.135 1.00 34.32 H new ATOM 0 HD3 ARG A 24 -9.389 10.695 -5.000 1.00 34.32 H new ATOM 0 HE ARG A 24 -8.043 9.747 -2.517 1.00 23.32 H new ATOM 0 HH11 ARG A 24 -8.000 12.155 -5.132 1.00 13.22 H new ATOM 0 HH12 ARG A 24 -7.197 13.366 -4.127 1.00 13.22 H new ATOM 0 HH21 ARG A 24 -7.139 11.408 -1.241 1.00 70.12 H new ATOM 0 HH22 ARG A 24 -6.724 12.954 -1.987 1.00 70.12 H new ATOM 420 N GLU A 25 -13.949 9.541 -1.354 1.00 14.23 N ATOM 421 CA GLU A 25 -15.177 10.192 -0.910 1.00 50.15 C ATOM 422 C GLU A 25 -15.207 10.211 0.623 1.00 33.22 C ATOM 423 O GLU A 25 -15.468 11.263 1.213 1.00 1.21 O ATOM 424 CB GLU A 25 -16.404 9.501 -1.545 1.00 24.43 C ATOM 425 CG GLU A 25 -16.580 9.890 -3.030 1.00 52.31 C ATOM 426 CD GLU A 25 -17.525 8.983 -3.834 1.00 10.21 C ATOM 427 OE1 GLU A 25 -18.387 8.279 -3.250 1.00 10.12 O ATOM 428 OE2 GLU A 25 -17.413 8.960 -5.084 1.00 71.22 O ATOM 0 H GLU A 25 -14.102 8.585 -1.675 1.00 14.23 H new ATOM 0 HA GLU A 25 -15.210 11.229 -1.245 1.00 50.15 H new ATOM 0 HB2 GLU A 25 -16.294 8.420 -1.464 1.00 24.43 H new ATOM 0 HB3 GLU A 25 -17.302 9.773 -0.990 1.00 24.43 H new ATOM 0 HG2 GLU A 25 -16.954 10.913 -3.080 1.00 52.31 H new ATOM 0 HG3 GLU A 25 -15.601 9.885 -3.509 1.00 52.31 H new ATOM 435 N GLN A 26 -14.926 9.084 1.294 1.00 23.42 N ATOM 436 CA GLN A 26 -14.928 9.049 2.765 1.00 61.23 C ATOM 437 C GLN A 26 -13.659 9.658 3.369 1.00 23.10 C ATOM 438 O GLN A 26 -13.708 10.252 4.443 1.00 4.10 O ATOM 439 CB GLN A 26 -15.101 7.625 3.317 1.00 61.13 C ATOM 440 CG GLN A 26 -14.036 6.638 2.851 1.00 71.23 C ATOM 441 CD GLN A 26 -14.338 5.226 3.320 1.00 73.32 C ATOM 442 OE1 GLN A 26 -14.382 4.942 4.514 1.00 50.55 O ATOM 443 NE2 GLN A 26 -14.565 4.319 2.390 1.00 21.00 N ATOM 0 H GLN A 26 -14.697 8.195 0.849 1.00 23.42 H new ATOM 0 HA GLN A 26 -15.786 9.653 3.060 1.00 61.23 H new ATOM 0 HB2 GLN A 26 -15.090 7.666 4.406 1.00 61.13 H new ATOM 0 HB3 GLN A 26 -16.081 7.250 3.022 1.00 61.13 H new ATOM 0 HG2 GLN A 26 -13.975 6.655 1.763 1.00 71.23 H new ATOM 0 HG3 GLN A 26 -13.062 6.947 3.230 1.00 71.23 H new ATOM 0 HE21 GLN A 26 -14.523 4.578 1.404 1.00 21.00 H new ATOM 0 HE22 GLN A 26 -14.783 3.359 2.656 1.00 21.00 H new ATOM 452 N HIS A 27 -12.519 9.530 2.686 1.00 25.20 N ATOM 453 CA HIS A 27 -11.227 10.019 3.157 1.00 23.32 C ATOM 454 C HIS A 27 -10.494 10.812 2.066 1.00 11.32 C ATOM 455 O HIS A 27 -9.461 10.367 1.551 1.00 25.23 O ATOM 456 CB HIS A 27 -10.412 8.820 3.677 1.00 41.35 C ATOM 457 CG HIS A 27 -11.048 8.092 4.838 1.00 31.41 C ATOM 458 ND1 HIS A 27 -11.679 8.667 5.923 1.00 41.24 N ATOM 459 CD2 HIS A 27 -11.165 6.733 4.967 1.00 53.52 C ATOM 460 CE1 HIS A 27 -12.165 7.675 6.686 1.00 4.31 C ATOM 461 NE2 HIS A 27 -11.859 6.480 6.152 1.00 53.25 N ATOM 0 H HIS A 27 -12.470 9.075 1.774 1.00 25.20 H new ATOM 0 HA HIS A 27 -11.370 10.723 3.977 1.00 23.32 H new ATOM 0 HB2 HIS A 27 -10.263 8.115 2.859 1.00 41.35 H new ATOM 0 HB3 HIS A 27 -9.425 9.170 3.980 1.00 41.35 H new ATOM 0 HD2 HIS A 27 -10.789 5.992 4.277 1.00 53.52 H new ATOM 0 HE1 HIS A 27 -12.723 7.817 7.600 1.00 4.31 H new ATOM 0 HE2 HIS A 27 -12.089 5.564 6.538 1.00 53.25 H new ATOM 469 N PRO A 28 -10.975 12.022 1.733 1.00 21.24 N ATOM 470 CA PRO A 28 -10.360 12.869 0.717 1.00 71.44 C ATOM 471 C PRO A 28 -8.986 13.402 1.124 1.00 52.43 C ATOM 472 O PRO A 28 -8.212 13.752 0.229 1.00 34.23 O ATOM 473 CB PRO A 28 -11.342 14.017 0.473 1.00 25.11 C ATOM 474 CG PRO A 28 -12.130 14.085 1.771 1.00 73.22 C ATOM 475 CD PRO A 28 -12.177 12.646 2.260 1.00 51.52 C ATOM 0 HA PRO A 28 -10.175 12.287 -0.186 1.00 71.44 H new ATOM 0 HB2 PRO A 28 -10.823 14.953 0.268 1.00 25.11 H new ATOM 0 HB3 PRO A 28 -11.990 13.818 -0.381 1.00 25.11 H new ATOM 0 HG2 PRO A 28 -11.644 14.736 2.498 1.00 73.22 H new ATOM 0 HG3 PRO A 28 -13.132 14.482 1.607 1.00 73.22 H new ATOM 0 HD2 PRO A 28 -12.198 12.601 3.349 1.00 51.52 H new ATOM 0 HD3 PRO A 28 -13.073 12.138 1.903 1.00 51.52 H new ATOM 483 N THR A 29 -8.633 13.442 2.414 1.00 65.02 N ATOM 484 CA THR A 29 -7.324 13.937 2.837 1.00 3.11 C ATOM 485 C THR A 29 -6.285 12.802 2.859 1.00 13.11 C ATOM 486 O THR A 29 -5.108 13.020 3.144 1.00 64.24 O ATOM 487 CB THR A 29 -7.466 14.637 4.202 1.00 54.42 C ATOM 488 OG1 THR A 29 -8.114 13.819 5.165 1.00 50.33 O ATOM 489 CG2 THR A 29 -8.294 15.922 4.066 1.00 22.13 C ATOM 0 H THR A 29 -9.236 13.138 3.179 1.00 65.02 H new ATOM 0 HA THR A 29 -6.956 14.669 2.118 1.00 3.11 H new ATOM 0 HB THR A 29 -6.451 14.854 4.535 1.00 54.42 H new ATOM 0 HG1 THR A 29 -8.180 14.303 6.014 1.00 50.33 H new ATOM 0 HG21 THR A 29 -8.383 16.402 5.040 1.00 22.13 H new ATOM 0 HG22 THR A 29 -7.800 16.601 3.371 1.00 22.13 H new ATOM 0 HG23 THR A 29 -9.287 15.677 3.690 1.00 22.13 H new ATOM 497 N LYS A 30 -6.689 11.580 2.482 1.00 64.01 N ATOM 498 CA LYS A 30 -5.838 10.409 2.413 1.00 61.41 C ATOM 499 C LYS A 30 -5.702 10.038 0.953 1.00 31.24 C ATOM 500 O LYS A 30 -6.531 10.424 0.126 1.00 31.34 O ATOM 501 CB LYS A 30 -6.422 9.222 3.169 1.00 54.33 C ATOM 502 CG LYS A 30 -6.632 9.368 4.676 1.00 61.41 C ATOM 503 CD LYS A 30 -5.328 9.664 5.431 1.00 51.14 C ATOM 504 CE LYS A 30 -5.189 8.990 6.804 1.00 64.04 C ATOM 505 NZ LYS A 30 -6.453 9.040 7.572 1.00 71.42 N ATOM 0 H LYS A 30 -7.653 11.386 2.210 1.00 64.01 H new ATOM 0 HA LYS A 30 -4.878 10.645 2.872 1.00 61.41 H new ATOM 0 HB2 LYS A 30 -7.385 8.980 2.719 1.00 54.33 H new ATOM 0 HB3 LYS A 30 -5.768 8.366 3.004 1.00 54.33 H new ATOM 0 HG2 LYS A 30 -7.345 10.171 4.863 1.00 61.41 H new ATOM 0 HG3 LYS A 30 -7.074 8.452 5.067 1.00 61.41 H new ATOM 0 HD2 LYS A 30 -4.490 9.354 4.807 1.00 51.14 H new ATOM 0 HD3 LYS A 30 -5.244 10.742 5.565 1.00 51.14 H new ATOM 0 HE2 LYS A 30 -4.886 7.952 6.670 1.00 64.04 H new ATOM 0 HE3 LYS A 30 -4.399 9.482 7.372 1.00 64.04 H new ATOM 0 HZ1 LYS A 30 -6.251 8.897 8.582 1.00 71.42 H new ATOM 0 HZ2 LYS A 30 -6.905 9.967 7.437 1.00 71.42 H new ATOM 0 HZ3 LYS A 30 -7.093 8.291 7.237 1.00 71.42 H new ATOM 519 N ILE A 31 -4.678 9.270 0.630 1.00 12.21 N ATOM 520 CA ILE A 31 -4.382 8.799 -0.705 1.00 2.34 C ATOM 521 C ILE A 31 -4.362 7.264 -0.608 1.00 1.21 C ATOM 522 O ILE A 31 -3.806 6.749 0.380 1.00 2.11 O ATOM 523 CB ILE A 31 -3.019 9.342 -1.209 1.00 3.50 C ATOM 524 CG1 ILE A 31 -2.724 10.854 -1.040 1.00 51.41 C ATOM 525 CG2 ILE A 31 -2.848 8.980 -2.696 1.00 23.34 C ATOM 526 CD1 ILE A 31 -3.714 11.804 -1.724 1.00 22.41 C ATOM 0 H ILE A 31 -4.003 8.945 1.322 1.00 12.21 H new ATOM 0 HA ILE A 31 -5.126 9.148 -1.421 1.00 2.34 H new ATOM 0 HB ILE A 31 -2.301 8.856 -0.548 1.00 3.50 H new ATOM 0 HG12 ILE A 31 -2.704 11.085 0.025 1.00 51.41 H new ATOM 0 HG13 ILE A 31 -1.726 11.057 -1.429 1.00 51.41 H new ATOM 0 HG21 ILE A 31 -1.891 9.359 -3.055 1.00 23.34 H new ATOM 0 HG22 ILE A 31 -2.875 7.897 -2.812 1.00 23.34 H new ATOM 0 HG23 ILE A 31 -3.656 9.427 -3.275 1.00 23.34 H new ATOM 0 HD11 ILE A 31 -3.413 12.836 -1.542 1.00 22.41 H new ATOM 0 HD12 ILE A 31 -3.720 11.612 -2.797 1.00 22.41 H new ATOM 0 HD13 ILE A 31 -4.713 11.641 -1.320 1.00 22.41 H new ATOM 538 N PRO A 32 -4.944 6.534 -1.579 1.00 62.33 N ATOM 539 CA PRO A 32 -4.952 5.073 -1.627 1.00 11.31 C ATOM 540 C PRO A 32 -3.676 4.535 -2.321 1.00 42.55 C ATOM 541 O PRO A 32 -3.395 4.856 -3.480 1.00 10.10 O ATOM 542 CB PRO A 32 -6.207 4.708 -2.426 1.00 24.42 C ATOM 543 CG PRO A 32 -6.622 5.978 -3.178 1.00 10.33 C ATOM 544 CD PRO A 32 -5.652 7.063 -2.741 1.00 71.13 C ATOM 0 HA PRO A 32 -4.963 4.633 -0.630 1.00 11.31 H new ATOM 0 HB2 PRO A 32 -6.002 3.894 -3.121 1.00 24.42 H new ATOM 0 HB3 PRO A 32 -7.004 4.370 -1.764 1.00 24.42 H new ATOM 0 HG2 PRO A 32 -6.576 5.825 -4.256 1.00 10.33 H new ATOM 0 HG3 PRO A 32 -7.649 6.254 -2.939 1.00 10.33 H new ATOM 0 HD2 PRO A 32 -4.955 7.308 -3.543 1.00 71.13 H new ATOM 0 HD3 PRO A 32 -6.183 7.981 -2.488 1.00 71.13 H new ATOM 552 N VAL A 33 -2.902 3.688 -1.640 1.00 51.25 N ATOM 553 CA VAL A 33 -1.658 3.075 -2.131 1.00 34.11 C ATOM 554 C VAL A 33 -1.775 1.555 -1.979 1.00 3.13 C ATOM 555 O VAL A 33 -2.500 1.060 -1.110 1.00 52.44 O ATOM 556 CB VAL A 33 -0.450 3.627 -1.345 1.00 43.21 C ATOM 557 CG1 VAL A 33 -0.424 3.227 0.140 1.00 64.33 C ATOM 558 CG2 VAL A 33 0.912 3.233 -1.918 1.00 63.35 C ATOM 0 H VAL A 33 -3.131 3.395 -0.690 1.00 51.25 H new ATOM 0 HA VAL A 33 -1.503 3.318 -3.182 1.00 34.11 H new ATOM 0 HB VAL A 33 -0.603 4.702 -1.445 1.00 43.21 H new ATOM 0 HG11 VAL A 33 0.457 3.656 0.617 1.00 64.33 H new ATOM 0 HG12 VAL A 33 -1.322 3.600 0.633 1.00 64.33 H new ATOM 0 HG13 VAL A 33 -0.389 2.141 0.224 1.00 64.33 H new ATOM 0 HG21 VAL A 33 1.703 3.663 -1.304 1.00 63.35 H new ATOM 0 HG22 VAL A 33 1.005 2.147 -1.921 1.00 63.35 H new ATOM 0 HG23 VAL A 33 1.000 3.607 -2.938 1.00 63.35 H new ATOM 568 N ILE A 34 -1.093 0.819 -2.845 1.00 65.11 N ATOM 569 CA ILE A 34 -1.017 -0.623 -2.888 1.00 24.31 C ATOM 570 C ILE A 34 0.441 -0.936 -2.570 1.00 53.53 C ATOM 571 O ILE A 34 1.330 -0.491 -3.294 1.00 54.45 O ATOM 572 CB ILE A 34 -1.446 -1.165 -4.267 1.00 1.23 C ATOM 573 CG1 ILE A 34 -2.851 -0.696 -4.699 1.00 33.12 C ATOM 574 CG2 ILE A 34 -1.353 -2.700 -4.268 1.00 12.22 C ATOM 575 CD1 ILE A 34 -3.950 -0.863 -3.643 1.00 71.14 C ATOM 0 H ILE A 34 -0.541 1.251 -3.586 1.00 65.11 H new ATOM 0 HA ILE A 34 -1.693 -1.100 -2.179 1.00 24.31 H new ATOM 0 HB ILE A 34 -0.758 -0.753 -5.005 1.00 1.23 H new ATOM 0 HG12 ILE A 34 -2.795 0.356 -4.978 1.00 33.12 H new ATOM 0 HG13 ILE A 34 -3.142 -1.248 -5.593 1.00 33.12 H new ATOM 0 HG21 ILE A 34 -1.656 -3.082 -5.243 1.00 12.22 H new ATOM 0 HG22 ILE A 34 -0.326 -3.002 -4.063 1.00 12.22 H new ATOM 0 HG23 ILE A 34 -2.011 -3.105 -3.499 1.00 12.22 H new ATOM 0 HD11 ILE A 34 -4.898 -0.504 -4.044 1.00 71.14 H new ATOM 0 HD12 ILE A 34 -4.043 -1.916 -3.378 1.00 71.14 H new ATOM 0 HD13 ILE A 34 -3.691 -0.287 -2.754 1.00 71.14 H new ATOM 587 N ILE A 35 0.680 -1.657 -1.482 1.00 31.30 N ATOM 588 CA ILE A 35 1.989 -2.066 -1.004 1.00 61.13 C ATOM 589 C ILE A 35 2.031 -3.577 -1.186 1.00 62.33 C ATOM 590 O ILE A 35 1.263 -4.291 -0.544 1.00 21.23 O ATOM 591 CB ILE A 35 2.165 -1.600 0.463 1.00 52.54 C ATOM 592 CG1 ILE A 35 2.313 -0.061 0.467 1.00 32.33 C ATOM 593 CG2 ILE A 35 3.368 -2.263 1.160 1.00 3.34 C ATOM 594 CD1 ILE A 35 2.370 0.576 1.858 1.00 65.11 C ATOM 0 H ILE A 35 -0.074 -1.988 -0.880 1.00 31.30 H new ATOM 0 HA ILE A 35 2.820 -1.618 -1.549 1.00 61.13 H new ATOM 0 HB ILE A 35 1.285 -1.905 1.030 1.00 52.54 H new ATOM 0 HG12 ILE A 35 3.220 0.204 -0.076 1.00 32.33 H new ATOM 0 HG13 ILE A 35 1.476 0.372 -0.081 1.00 32.33 H new ATOM 0 HG21 ILE A 35 3.441 -1.898 2.185 1.00 3.34 H new ATOM 0 HG22 ILE A 35 3.233 -3.345 1.169 1.00 3.34 H new ATOM 0 HG23 ILE A 35 4.282 -2.016 0.621 1.00 3.34 H new ATOM 0 HD11 ILE A 35 2.474 1.657 1.759 1.00 65.11 H new ATOM 0 HD12 ILE A 35 1.452 0.348 2.400 1.00 65.11 H new ATOM 0 HD13 ILE A 35 3.224 0.178 2.406 1.00 65.11 H new ATOM 606 N GLU A 36 2.903 -4.064 -2.067 1.00 63.32 N ATOM 607 CA GLU A 36 3.054 -5.487 -2.336 1.00 51.51 C ATOM 608 C GLU A 36 4.514 -5.910 -2.121 1.00 13.32 C ATOM 609 O GLU A 36 5.443 -5.103 -2.196 1.00 73.15 O ATOM 610 CB GLU A 36 2.526 -5.771 -3.751 1.00 11.50 C ATOM 611 CG GLU A 36 2.450 -7.268 -4.057 1.00 30.11 C ATOM 612 CD GLU A 36 1.748 -7.553 -5.383 1.00 71.23 C ATOM 613 OE1 GLU A 36 2.325 -7.247 -6.455 1.00 14.21 O ATOM 614 OE2 GLU A 36 0.622 -8.104 -5.372 1.00 12.34 O ATOM 0 H GLU A 36 3.528 -3.475 -2.617 1.00 63.32 H new ATOM 0 HA GLU A 36 2.467 -6.089 -1.642 1.00 51.51 H new ATOM 0 HB2 GLU A 36 1.535 -5.330 -3.861 1.00 11.50 H new ATOM 0 HB3 GLU A 36 3.174 -5.286 -4.481 1.00 11.50 H new ATOM 0 HG2 GLU A 36 3.458 -7.682 -4.085 1.00 30.11 H new ATOM 0 HG3 GLU A 36 1.919 -7.775 -3.251 1.00 30.11 H new ATOM 621 N ARG A 37 4.725 -7.176 -1.776 1.00 4.43 N ATOM 622 CA ARG A 37 6.046 -7.725 -1.553 1.00 21.33 C ATOM 623 C ARG A 37 6.590 -8.099 -2.923 1.00 22.33 C ATOM 624 O ARG A 37 5.823 -8.623 -3.739 1.00 21.31 O ATOM 625 CB ARG A 37 5.865 -8.969 -0.678 1.00 31.01 C ATOM 626 CG ARG A 37 7.201 -9.631 -0.329 1.00 70.23 C ATOM 627 CD ARG A 37 7.050 -11.142 -0.175 1.00 1.41 C ATOM 628 NE ARG A 37 6.714 -11.748 -1.467 1.00 2.41 N ATOM 629 CZ ARG A 37 6.697 -13.060 -1.719 1.00 11.31 C ATOM 630 NH1 ARG A 37 6.845 -13.944 -0.739 1.00 42.34 N ATOM 631 NH2 ARG A 37 6.516 -13.479 -2.965 1.00 24.20 N ATOM 0 H ARG A 37 3.972 -7.852 -1.644 1.00 4.43 H new ATOM 0 HA ARG A 37 6.731 -7.034 -1.061 1.00 21.33 H new ATOM 0 HB2 ARG A 37 5.348 -8.693 0.241 1.00 31.01 H new ATOM 0 HB3 ARG A 37 5.230 -9.687 -1.197 1.00 31.01 H new ATOM 0 HG2 ARG A 37 7.931 -9.414 -1.109 1.00 70.23 H new ATOM 0 HG3 ARG A 37 7.588 -9.206 0.597 1.00 70.23 H new ATOM 0 HD2 ARG A 37 7.976 -11.571 0.207 1.00 1.41 H new ATOM 0 HD3 ARG A 37 6.271 -11.365 0.554 1.00 1.41 H new ATOM 0 HE ARG A 37 6.475 -11.119 -2.233 1.00 2.41 H new ATOM 0 HH11 ARG A 37 6.974 -13.624 0.221 1.00 42.34 H new ATOM 0 HH12 ARG A 37 6.830 -14.943 -0.946 1.00 42.34 H new ATOM 0 HH21 ARG A 37 6.392 -12.802 -3.718 1.00 24.20 H new ATOM 0 HH22 ARG A 37 6.501 -14.478 -3.170 1.00 24.20 H new ATOM 645 N TYR A 38 7.876 -7.874 -3.182 1.00 4.42 N ATOM 646 CA TYR A 38 8.458 -8.234 -4.464 1.00 54.22 C ATOM 647 C TYR A 38 8.275 -9.731 -4.700 1.00 61.33 C ATOM 648 O TYR A 38 8.192 -10.533 -3.762 1.00 5.41 O ATOM 649 CB TYR A 38 9.933 -7.843 -4.517 1.00 45.41 C ATOM 650 CG TYR A 38 10.639 -8.229 -5.805 1.00 51.41 C ATOM 651 CD1 TYR A 38 10.156 -7.752 -7.039 1.00 43.54 C ATOM 652 CD2 TYR A 38 11.780 -9.055 -5.774 1.00 23.40 C ATOM 653 CE1 TYR A 38 10.816 -8.082 -8.234 1.00 1.52 C ATOM 654 CE2 TYR A 38 12.439 -9.396 -6.971 1.00 2.12 C ATOM 655 CZ TYR A 38 11.971 -8.892 -8.206 1.00 21.41 C ATOM 656 OH TYR A 38 12.633 -9.187 -9.357 1.00 2.51 O ATOM 0 H TYR A 38 8.528 -7.447 -2.524 1.00 4.42 H new ATOM 0 HA TYR A 38 7.948 -7.688 -5.257 1.00 54.22 H new ATOM 0 HB2 TYR A 38 10.015 -6.765 -4.381 1.00 45.41 H new ATOM 0 HB3 TYR A 38 10.450 -8.310 -3.679 1.00 45.41 H new ATOM 0 HD1 TYR A 38 9.274 -7.129 -7.066 1.00 43.54 H new ATOM 0 HD2 TYR A 38 12.150 -9.427 -4.830 1.00 23.40 H new ATOM 0 HE1 TYR A 38 10.438 -7.715 -9.177 1.00 1.52 H new ATOM 0 HE2 TYR A 38 13.303 -10.043 -6.945 1.00 2.12 H new ATOM 0 HH TYR A 38 13.406 -9.754 -9.154 1.00 2.51 H new ATOM 666 N LYS A 39 8.222 -10.132 -5.968 1.00 24.43 N ATOM 667 CA LYS A 39 8.043 -11.533 -6.304 1.00 45.15 C ATOM 668 C LYS A 39 9.221 -12.386 -5.853 1.00 71.45 C ATOM 669 O LYS A 39 9.001 -13.489 -5.356 1.00 52.54 O ATOM 670 CB LYS A 39 7.736 -11.690 -7.800 1.00 21.10 C ATOM 671 CG LYS A 39 8.796 -11.120 -8.758 1.00 4.50 C ATOM 672 CD LYS A 39 8.374 -11.272 -10.224 1.00 21.04 C ATOM 673 CE LYS A 39 8.370 -12.744 -10.648 1.00 42.45 C ATOM 674 NZ LYS A 39 7.890 -12.916 -12.027 1.00 73.02 N ATOM 0 H LYS A 39 8.300 -9.508 -6.771 1.00 24.43 H new ATOM 0 HA LYS A 39 7.181 -11.907 -5.751 1.00 45.15 H new ATOM 0 HB2 LYS A 39 7.608 -12.750 -8.017 1.00 21.10 H new ATOM 0 HB3 LYS A 39 6.783 -11.204 -8.010 1.00 21.10 H new ATOM 0 HG2 LYS A 39 8.960 -10.066 -8.534 1.00 4.50 H new ATOM 0 HG3 LYS A 39 9.745 -11.632 -8.597 1.00 4.50 H new ATOM 0 HD2 LYS A 39 7.380 -10.847 -10.365 1.00 21.04 H new ATOM 0 HD3 LYS A 39 9.055 -10.709 -10.862 1.00 21.04 H new ATOM 0 HE2 LYS A 39 9.378 -13.150 -10.561 1.00 42.45 H new ATOM 0 HE3 LYS A 39 7.737 -13.316 -9.969 1.00 42.45 H new ATOM 0 HZ1 LYS A 39 7.903 -13.926 -12.276 1.00 73.02 H new ATOM 0 HZ2 LYS A 39 6.919 -12.552 -12.104 1.00 73.02 H new ATOM 0 HZ3 LYS A 39 8.509 -12.392 -12.678 1.00 73.02 H new ATOM 688 N GLY A 40 10.451 -11.889 -5.970 1.00 73.35 N ATOM 689 CA GLY A 40 11.640 -12.623 -5.570 1.00 23.23 C ATOM 690 C GLY A 40 11.932 -12.536 -4.075 1.00 32.24 C ATOM 691 O GLY A 40 12.911 -13.125 -3.617 1.00 14.50 O ATOM 0 H GLY A 40 10.647 -10.962 -6.347 1.00 73.35 H new ATOM 0 HA2 GLY A 40 11.523 -13.670 -5.849 1.00 23.23 H new ATOM 0 HA3 GLY A 40 12.498 -12.240 -6.123 1.00 23.23 H new ATOM 695 N GLU A 41 11.131 -11.800 -3.303 1.00 63.22 N ATOM 696 CA GLU A 41 11.352 -11.661 -1.881 1.00 33.10 C ATOM 697 C GLU A 41 11.052 -12.979 -1.159 1.00 53.22 C ATOM 698 O GLU A 41 10.034 -13.632 -1.406 1.00 32.44 O ATOM 699 CB GLU A 41 10.422 -10.577 -1.355 1.00 4.52 C ATOM 700 CG GLU A 41 10.676 -10.288 0.131 1.00 64.35 C ATOM 701 CD GLU A 41 11.259 -8.928 0.368 1.00 14.42 C ATOM 702 OE1 GLU A 41 12.513 -8.841 0.383 1.00 14.53 O ATOM 703 OE2 GLU A 41 10.448 -8.026 0.663 1.00 74.33 O ATOM 0 H GLU A 41 10.319 -11.291 -3.652 1.00 63.22 H new ATOM 0 HA GLU A 41 12.394 -11.396 -1.700 1.00 33.10 H new ATOM 0 HB2 GLU A 41 10.563 -9.664 -1.933 1.00 4.52 H new ATOM 0 HB3 GLU A 41 9.386 -10.886 -1.494 1.00 4.52 H new ATOM 0 HG2 GLU A 41 9.738 -10.376 0.679 1.00 64.35 H new ATOM 0 HG3 GLU A 41 11.352 -11.043 0.533 1.00 64.35 H new ATOM 710 N LYS A 42 11.941 -13.338 -0.234 1.00 24.33 N ATOM 711 CA LYS A 42 11.853 -14.530 0.610 1.00 74.32 C ATOM 712 C LYS A 42 12.376 -14.259 2.016 1.00 4.14 C ATOM 713 O LYS A 42 11.992 -14.951 2.956 1.00 2.40 O ATOM 714 CB LYS A 42 12.638 -15.690 -0.028 1.00 22.44 C ATOM 715 CG LYS A 42 11.811 -16.476 -1.053 1.00 73.41 C ATOM 716 CD LYS A 42 10.776 -17.381 -0.360 1.00 62.15 C ATOM 717 CE LYS A 42 9.919 -18.160 -1.362 1.00 64.24 C ATOM 718 NZ LYS A 42 8.933 -17.307 -2.050 1.00 12.40 N ATOM 0 H LYS A 42 12.776 -12.784 -0.044 1.00 24.33 H new ATOM 0 HA LYS A 42 10.801 -14.805 0.689 1.00 74.32 H new ATOM 0 HB2 LYS A 42 13.530 -15.295 -0.514 1.00 22.44 H new ATOM 0 HB3 LYS A 42 12.976 -16.368 0.756 1.00 22.44 H new ATOM 0 HG2 LYS A 42 11.301 -15.782 -1.721 1.00 73.41 H new ATOM 0 HG3 LYS A 42 12.474 -17.083 -1.669 1.00 73.41 H new ATOM 0 HD2 LYS A 42 11.292 -18.083 0.296 1.00 62.15 H new ATOM 0 HD3 LYS A 42 10.129 -16.772 0.271 1.00 62.15 H new ATOM 0 HE2 LYS A 42 10.568 -18.628 -2.102 1.00 64.24 H new ATOM 0 HE3 LYS A 42 9.398 -18.963 -0.841 1.00 64.24 H new ATOM 0 HZ1 LYS A 42 8.380 -17.883 -2.716 1.00 12.40 H new ATOM 0 HZ2 LYS A 42 8.294 -16.880 -1.349 1.00 12.40 H new ATOM 0 HZ3 LYS A 42 9.428 -16.555 -2.571 1.00 12.40 H new ATOM 732 N GLN A 43 13.252 -13.265 2.161 1.00 63.11 N ATOM 733 CA GLN A 43 13.858 -12.876 3.418 1.00 70.01 C ATOM 734 C GLN A 43 12.915 -12.007 4.242 1.00 2.51 C ATOM 735 O GLN A 43 13.005 -12.034 5.465 1.00 25.43 O ATOM 736 CB GLN A 43 15.175 -12.127 3.155 1.00 3.42 C ATOM 737 CG GLN A 43 15.047 -10.924 2.195 1.00 63.01 C ATOM 738 CD GLN A 43 15.357 -11.208 0.717 1.00 65.15 C ATOM 739 OE1 GLN A 43 15.781 -10.333 -0.025 1.00 70.12 O ATOM 740 NE2 GLN A 43 15.159 -12.413 0.204 1.00 30.11 N ATOM 0 H GLN A 43 13.565 -12.694 1.376 1.00 63.11 H new ATOM 0 HA GLN A 43 14.065 -13.781 3.989 1.00 70.01 H new ATOM 0 HB2 GLN A 43 15.575 -11.776 4.106 1.00 3.42 H new ATOM 0 HB3 GLN A 43 15.901 -12.828 2.744 1.00 3.42 H new ATOM 0 HG2 GLN A 43 14.031 -10.535 2.265 1.00 63.01 H new ATOM 0 HG3 GLN A 43 15.715 -10.135 2.541 1.00 63.01 H new ATOM 0 HE21 GLN A 43 14.806 -13.167 0.794 1.00 30.11 H new ATOM 0 HE22 GLN A 43 15.359 -12.587 -0.781 1.00 30.11 H new ATOM 749 N LEU A 44 12.085 -11.175 3.608 1.00 73.05 N ATOM 750 CA LEU A 44 11.157 -10.330 4.335 1.00 21.14 C ATOM 751 C LEU A 44 9.773 -10.986 4.325 1.00 14.12 C ATOM 752 O LEU A 44 9.435 -11.693 3.366 1.00 43.33 O ATOM 753 CB LEU A 44 11.171 -8.888 3.814 1.00 72.35 C ATOM 754 CG LEU A 44 12.467 -8.136 4.144 1.00 25.22 C ATOM 755 CD1 LEU A 44 12.475 -6.780 3.443 1.00 71.42 C ATOM 756 CD2 LEU A 44 12.632 -7.902 5.649 1.00 54.14 C ATOM 0 H LEU A 44 12.043 -11.074 2.594 1.00 73.05 H new ATOM 0 HA LEU A 44 11.470 -10.244 5.376 1.00 21.14 H new ATOM 0 HB2 LEU A 44 11.030 -8.898 2.733 1.00 72.35 H new ATOM 0 HB3 LEU A 44 10.326 -8.347 4.240 1.00 72.35 H new ATOM 0 HG LEU A 44 13.292 -8.757 3.797 1.00 25.22 H new ATOM 0 HD11 LEU A 44 13.398 -6.252 3.682 1.00 71.42 H new ATOM 0 HD12 LEU A 44 12.410 -6.927 2.365 1.00 71.42 H new ATOM 0 HD13 LEU A 44 11.622 -6.191 3.781 1.00 71.42 H new ATOM 0 HD21 LEU A 44 13.563 -7.367 5.834 1.00 54.14 H new ATOM 0 HD22 LEU A 44 11.794 -7.311 6.019 1.00 54.14 H new ATOM 0 HD23 LEU A 44 12.656 -8.861 6.166 1.00 54.14 H new ATOM 768 N PRO A 45 8.955 -10.772 5.369 1.00 44.44 N ATOM 769 CA PRO A 45 7.623 -11.350 5.442 1.00 43.14 C ATOM 770 C PRO A 45 6.679 -10.608 4.488 1.00 12.52 C ATOM 771 O PRO A 45 6.917 -9.441 4.141 1.00 34.20 O ATOM 772 CB PRO A 45 7.210 -11.214 6.911 1.00 14.32 C ATOM 773 CG PRO A 45 7.979 -9.988 7.403 1.00 33.14 C ATOM 774 CD PRO A 45 9.246 -9.968 6.546 1.00 4.52 C ATOM 0 HA PRO A 45 7.590 -12.395 5.133 1.00 43.14 H new ATOM 0 HB2 PRO A 45 6.133 -11.076 7.011 1.00 14.32 H new ATOM 0 HB3 PRO A 45 7.472 -12.104 7.483 1.00 14.32 H new ATOM 0 HG2 PRO A 45 7.397 -9.075 7.274 1.00 33.14 H new ATOM 0 HG3 PRO A 45 8.217 -10.067 8.464 1.00 33.14 H new ATOM 0 HD2 PRO A 45 9.509 -8.948 6.265 1.00 4.52 H new ATOM 0 HD3 PRO A 45 10.094 -10.376 7.096 1.00 4.52 H new ATOM 782 N VAL A 46 5.632 -11.295 4.026 1.00 32.21 N ATOM 783 CA VAL A 46 4.639 -10.719 3.128 1.00 73.04 C ATOM 784 C VAL A 46 3.729 -9.805 3.960 1.00 3.31 C ATOM 785 O VAL A 46 3.552 -10.026 5.163 1.00 33.14 O ATOM 786 CB VAL A 46 3.900 -11.837 2.352 1.00 22.23 C ATOM 787 CG1 VAL A 46 2.991 -12.725 3.213 1.00 21.13 C ATOM 788 CG2 VAL A 46 3.083 -11.266 1.186 1.00 21.03 C ATOM 0 H VAL A 46 5.452 -12.270 4.267 1.00 32.21 H new ATOM 0 HA VAL A 46 5.097 -10.104 2.353 1.00 73.04 H new ATOM 0 HB VAL A 46 4.701 -12.475 1.979 1.00 22.23 H new ATOM 0 HG11 VAL A 46 2.516 -13.478 2.584 1.00 21.13 H new ATOM 0 HG12 VAL A 46 3.586 -13.217 3.982 1.00 21.13 H new ATOM 0 HG13 VAL A 46 2.224 -12.111 3.685 1.00 21.13 H new ATOM 0 HG21 VAL A 46 2.578 -12.078 0.664 1.00 21.03 H new ATOM 0 HG22 VAL A 46 2.342 -10.565 1.570 1.00 21.03 H new ATOM 0 HG23 VAL A 46 3.748 -10.748 0.495 1.00 21.03 H new ATOM 798 N LEU A 47 3.161 -8.770 3.338 1.00 63.04 N ATOM 799 CA LEU A 47 2.277 -7.845 4.024 1.00 34.13 C ATOM 800 C LEU A 47 0.982 -8.574 4.370 1.00 22.20 C ATOM 801 O LEU A 47 0.542 -9.471 3.647 1.00 34.13 O ATOM 802 CB LEU A 47 1.971 -6.604 3.150 1.00 5.31 C ATOM 803 CG LEU A 47 2.189 -5.223 3.810 1.00 23.13 C ATOM 804 CD1 LEU A 47 1.568 -5.083 5.204 1.00 32.14 C ATOM 805 CD2 LEU A 47 3.675 -4.885 3.884 1.00 72.24 C ATOM 0 H LEU A 47 3.304 -8.556 2.351 1.00 63.04 H new ATOM 0 HA LEU A 47 2.767 -7.494 4.932 1.00 34.13 H new ATOM 0 HB2 LEU A 47 2.591 -6.656 2.255 1.00 5.31 H new ATOM 0 HB3 LEU A 47 0.933 -6.665 2.822 1.00 5.31 H new ATOM 0 HG LEU A 47 1.668 -4.517 3.163 1.00 23.13 H new ATOM 0 HD11 LEU A 47 1.768 -4.085 5.593 1.00 32.14 H new ATOM 0 HD12 LEU A 47 0.491 -5.238 5.140 1.00 32.14 H new ATOM 0 HD13 LEU A 47 2.002 -5.827 5.872 1.00 32.14 H new ATOM 0 HD21 LEU A 47 3.803 -3.909 4.352 1.00 72.24 H new ATOM 0 HD22 LEU A 47 4.191 -5.642 4.475 1.00 72.24 H new ATOM 0 HD23 LEU A 47 4.094 -4.863 2.878 1.00 72.24 H new ATOM 817 N ASP A 48 0.344 -8.146 5.449 1.00 65.45 N ATOM 818 CA ASP A 48 -0.919 -8.689 5.933 1.00 34.40 C ATOM 819 C ASP A 48 -2.043 -8.366 4.931 1.00 71.32 C ATOM 820 O ASP A 48 -2.857 -9.220 4.576 1.00 73.24 O ATOM 821 CB ASP A 48 -1.148 -8.049 7.305 1.00 51.42 C ATOM 822 CG ASP A 48 -2.497 -8.359 7.935 1.00 44.22 C ATOM 823 OD1 ASP A 48 -3.073 -9.436 7.684 1.00 33.14 O ATOM 824 OD2 ASP A 48 -2.951 -7.502 8.723 1.00 41.52 O ATOM 0 H ASP A 48 0.701 -7.388 6.031 1.00 65.45 H new ATOM 0 HA ASP A 48 -0.905 -9.775 6.027 1.00 34.40 H new ATOM 0 HB2 ASP A 48 -0.361 -8.382 7.982 1.00 51.42 H new ATOM 0 HB3 ASP A 48 -1.048 -6.968 7.208 1.00 51.42 H new ATOM 829 N LYS A 49 -2.054 -7.127 4.433 1.00 72.14 N ATOM 830 CA LYS A 49 -2.991 -6.558 3.458 1.00 31.13 C ATOM 831 C LYS A 49 -2.169 -5.736 2.476 1.00 51.31 C ATOM 832 O LYS A 49 -1.060 -5.327 2.823 1.00 12.53 O ATOM 833 CB LYS A 49 -4.099 -5.717 4.119 1.00 4.23 C ATOM 834 CG LYS A 49 -3.634 -4.657 5.133 1.00 72.33 C ATOM 835 CD LYS A 49 -3.691 -5.176 6.575 1.00 4.44 C ATOM 836 CE LYS A 49 -5.139 -5.232 7.067 1.00 65.21 C ATOM 837 NZ LYS A 49 -5.280 -5.877 8.385 1.00 31.30 N ATOM 0 H LYS A 49 -1.355 -6.443 4.722 1.00 72.14 H new ATOM 0 HA LYS A 49 -3.519 -7.360 2.943 1.00 31.13 H new ATOM 0 HB2 LYS A 49 -4.663 -5.215 3.333 1.00 4.23 H new ATOM 0 HB3 LYS A 49 -4.788 -6.394 4.623 1.00 4.23 H new ATOM 0 HG2 LYS A 49 -2.614 -4.353 4.897 1.00 72.33 H new ATOM 0 HG3 LYS A 49 -4.260 -3.769 5.042 1.00 72.33 H new ATOM 0 HD2 LYS A 49 -3.244 -6.169 6.629 1.00 4.44 H new ATOM 0 HD3 LYS A 49 -3.105 -4.527 7.225 1.00 4.44 H new ATOM 0 HE2 LYS A 49 -5.537 -4.219 7.121 1.00 65.21 H new ATOM 0 HE3 LYS A 49 -5.743 -5.773 6.338 1.00 65.21 H new ATOM 0 HZ1 LYS A 49 -6.148 -6.450 8.400 1.00 31.30 H new ATOM 0 HZ2 LYS A 49 -4.458 -6.489 8.562 1.00 31.30 H new ATOM 0 HZ3 LYS A 49 -5.334 -5.148 9.124 1.00 31.30 H new ATOM 851 N THR A 50 -2.705 -5.440 1.298 1.00 61.14 N ATOM 852 CA THR A 50 -1.984 -4.684 0.282 1.00 13.30 C ATOM 853 C THR A 50 -2.499 -3.251 0.167 1.00 25.04 C ATOM 854 O THR A 50 -1.712 -2.342 -0.089 1.00 1.31 O ATOM 855 CB THR A 50 -2.090 -5.437 -1.056 1.00 71.44 C ATOM 856 OG1 THR A 50 -3.435 -5.781 -1.340 1.00 21.10 O ATOM 857 CG2 THR A 50 -1.302 -6.750 -1.055 1.00 44.23 C ATOM 0 H THR A 50 -3.647 -5.716 1.021 1.00 61.14 H new ATOM 0 HA THR A 50 -0.936 -4.603 0.570 1.00 13.30 H new ATOM 0 HB THR A 50 -1.682 -4.756 -1.803 1.00 71.44 H new ATOM 0 HG1 THR A 50 -3.477 -6.257 -2.196 1.00 21.10 H new ATOM 0 HG21 THR A 50 -1.411 -7.240 -2.022 1.00 44.23 H new ATOM 0 HG22 THR A 50 -0.248 -6.542 -0.870 1.00 44.23 H new ATOM 0 HG23 THR A 50 -1.685 -7.404 -0.272 1.00 44.23 H new ATOM 865 N LYS A 51 -3.798 -3.024 0.352 1.00 51.54 N ATOM 866 CA LYS A 51 -4.408 -1.704 0.262 1.00 3.31 C ATOM 867 C LYS A 51 -4.126 -0.925 1.551 1.00 62.01 C ATOM 868 O LYS A 51 -4.463 -1.385 2.640 1.00 11.34 O ATOM 869 CB LYS A 51 -5.920 -1.865 0.023 1.00 31.01 C ATOM 870 CG LYS A 51 -6.265 -2.636 -1.261 1.00 11.11 C ATOM 871 CD LYS A 51 -7.758 -2.885 -1.495 1.00 50.15 C ATOM 872 CE LYS A 51 -8.368 -3.829 -0.458 1.00 22.02 C ATOM 873 NZ LYS A 51 -9.696 -4.349 -0.854 1.00 22.23 N ATOM 0 H LYS A 51 -4.464 -3.765 0.572 1.00 51.54 H new ATOM 0 HA LYS A 51 -3.985 -1.144 -0.572 1.00 3.31 H new ATOM 0 HB2 LYS A 51 -6.360 -2.382 0.876 1.00 31.01 H new ATOM 0 HB3 LYS A 51 -6.379 -0.877 -0.023 1.00 31.01 H new ATOM 0 HG2 LYS A 51 -5.868 -2.085 -2.114 1.00 11.11 H new ATOM 0 HG3 LYS A 51 -5.753 -3.598 -1.236 1.00 11.11 H new ATOM 0 HD2 LYS A 51 -8.289 -1.933 -1.471 1.00 50.15 H new ATOM 0 HD3 LYS A 51 -7.901 -3.305 -2.491 1.00 50.15 H new ATOM 0 HE2 LYS A 51 -7.690 -4.667 -0.296 1.00 22.02 H new ATOM 0 HE3 LYS A 51 -8.459 -3.304 0.493 1.00 22.02 H new ATOM 0 HZ1 LYS A 51 -10.057 -4.982 -0.112 1.00 22.23 H new ATOM 0 HZ2 LYS A 51 -10.355 -3.555 -0.983 1.00 22.23 H new ATOM 0 HZ3 LYS A 51 -9.610 -4.876 -1.747 1.00 22.23 H new ATOM 887 N PHE A 52 -3.521 0.256 1.446 1.00 45.55 N ATOM 888 CA PHE A 52 -3.196 1.125 2.574 1.00 53.43 C ATOM 889 C PHE A 52 -3.716 2.538 2.298 1.00 3.24 C ATOM 890 O PHE A 52 -3.981 2.918 1.155 1.00 74.03 O ATOM 891 CB PHE A 52 -1.679 1.160 2.832 1.00 1.22 C ATOM 892 CG PHE A 52 -1.133 0.121 3.788 1.00 53.25 C ATOM 893 CD1 PHE A 52 -0.985 -1.218 3.385 1.00 24.43 C ATOM 894 CD2 PHE A 52 -0.709 0.515 5.070 1.00 30.14 C ATOM 895 CE1 PHE A 52 -0.437 -2.160 4.273 1.00 2.11 C ATOM 896 CE2 PHE A 52 -0.144 -0.421 5.950 1.00 65.03 C ATOM 897 CZ PHE A 52 -0.024 -1.765 5.558 1.00 13.31 C ATOM 0 H PHE A 52 -3.235 0.646 0.548 1.00 45.55 H new ATOM 0 HA PHE A 52 -3.677 0.726 3.467 1.00 53.43 H new ATOM 0 HB2 PHE A 52 -1.168 1.047 1.876 1.00 1.22 H new ATOM 0 HB3 PHE A 52 -1.421 2.147 3.217 1.00 1.22 H new ATOM 0 HD1 PHE A 52 -1.292 -1.522 2.395 1.00 24.43 H new ATOM 0 HD2 PHE A 52 -0.819 1.544 5.379 1.00 30.14 H new ATOM 0 HE1 PHE A 52 -0.333 -3.191 3.967 1.00 2.11 H new ATOM 0 HE2 PHE A 52 0.198 -0.109 6.926 1.00 65.03 H new ATOM 0 HZ PHE A 52 0.385 -2.494 6.242 1.00 13.31 H new ATOM 907 N LEU A 53 -3.808 3.336 3.366 1.00 62.05 N ATOM 908 CA LEU A 53 -4.281 4.717 3.373 1.00 10.40 C ATOM 909 C LEU A 53 -3.242 5.588 4.068 1.00 50.34 C ATOM 910 O LEU A 53 -2.938 5.364 5.250 1.00 51.35 O ATOM 911 CB LEU A 53 -5.605 4.797 4.147 1.00 43.15 C ATOM 912 CG LEU A 53 -6.891 4.811 3.331 1.00 42.12 C ATOM 913 CD1 LEU A 53 -7.097 6.122 2.617 1.00 71.31 C ATOM 914 CD2 LEU A 53 -7.031 3.638 2.379 1.00 25.32 C ATOM 0 H LEU A 53 -3.539 3.016 4.296 1.00 62.05 H new ATOM 0 HA LEU A 53 -4.435 5.062 2.351 1.00 10.40 H new ATOM 0 HB2 LEU A 53 -5.648 3.949 4.830 1.00 43.15 H new ATOM 0 HB3 LEU A 53 -5.584 5.699 4.759 1.00 43.15 H new ATOM 0 HG LEU A 53 -7.689 4.697 4.065 1.00 42.12 H new ATOM 0 HD11 LEU A 53 -8.026 6.085 2.049 1.00 71.31 H new ATOM 0 HD12 LEU A 53 -7.151 6.929 3.347 1.00 71.31 H new ATOM 0 HD13 LEU A 53 -6.263 6.301 1.938 1.00 71.31 H new ATOM 0 HD21 LEU A 53 -7.972 3.721 1.835 1.00 25.32 H new ATOM 0 HD22 LEU A 53 -6.202 3.642 1.672 1.00 25.32 H new ATOM 0 HD23 LEU A 53 -7.020 2.707 2.945 1.00 25.32 H new ATOM 926 N VAL A 54 -2.754 6.610 3.366 1.00 10.20 N ATOM 927 CA VAL A 54 -1.730 7.531 3.892 1.00 64.43 C ATOM 928 C VAL A 54 -2.141 8.964 3.571 1.00 30.21 C ATOM 929 O VAL A 54 -2.656 9.193 2.480 1.00 62.23 O ATOM 930 CB VAL A 54 -0.359 7.200 3.255 1.00 62.32 C ATOM 931 CG1 VAL A 54 0.797 8.012 3.849 1.00 3.42 C ATOM 932 CG2 VAL A 54 -0.045 5.695 3.349 1.00 22.41 C ATOM 0 H VAL A 54 -3.053 6.828 2.416 1.00 10.20 H new ATOM 0 HA VAL A 54 -1.644 7.419 4.973 1.00 64.43 H new ATOM 0 HB VAL A 54 -0.447 7.484 2.206 1.00 62.32 H new ATOM 0 HG11 VAL A 54 1.729 7.731 3.358 1.00 3.42 H new ATOM 0 HG12 VAL A 54 0.612 9.075 3.695 1.00 3.42 H new ATOM 0 HG13 VAL A 54 0.874 7.808 4.917 1.00 3.42 H new ATOM 0 HG21 VAL A 54 0.925 5.496 2.892 1.00 22.41 H new ATOM 0 HG22 VAL A 54 -0.022 5.393 4.396 1.00 22.41 H new ATOM 0 HG23 VAL A 54 -0.815 5.129 2.825 1.00 22.41 H new ATOM 942 N PRO A 55 -1.989 9.926 4.495 1.00 45.31 N ATOM 943 CA PRO A 55 -2.356 11.304 4.224 1.00 70.05 C ATOM 944 C PRO A 55 -1.335 11.925 3.276 1.00 11.41 C ATOM 945 O PRO A 55 -0.158 11.561 3.275 1.00 43.12 O ATOM 946 CB PRO A 55 -2.382 11.998 5.576 1.00 64.15 C ATOM 947 CG PRO A 55 -1.312 11.243 6.346 1.00 34.02 C ATOM 948 CD PRO A 55 -1.416 9.814 5.827 1.00 10.31 C ATOM 0 HA PRO A 55 -3.327 11.396 3.736 1.00 70.05 H new ATOM 0 HB2 PRO A 55 -2.151 13.060 5.493 1.00 64.15 H new ATOM 0 HB3 PRO A 55 -3.358 11.921 6.054 1.00 64.15 H new ATOM 0 HG2 PRO A 55 -0.322 11.661 6.166 1.00 34.02 H new ATOM 0 HG3 PRO A 55 -1.487 11.290 7.421 1.00 34.02 H new ATOM 0 HD2 PRO A 55 -0.437 9.336 5.794 1.00 10.31 H new ATOM 0 HD3 PRO A 55 -2.046 9.206 6.476 1.00 10.31 H new ATOM 956 N ASP A 56 -1.777 12.900 2.490 1.00 24.10 N ATOM 957 CA ASP A 56 -0.924 13.593 1.525 1.00 42.12 C ATOM 958 C ASP A 56 0.158 14.460 2.189 1.00 71.44 C ATOM 959 O ASP A 56 1.061 14.948 1.510 1.00 25.01 O ATOM 960 CB ASP A 56 -1.795 14.379 0.531 1.00 5.33 C ATOM 961 CG ASP A 56 -2.237 15.765 1.000 1.00 33.20 C ATOM 962 OD1 ASP A 56 -2.377 15.979 2.223 1.00 44.13 O ATOM 963 OD2 ASP A 56 -2.507 16.609 0.113 1.00 4.33 O ATOM 0 H ASP A 56 -2.740 13.235 2.502 1.00 24.10 H new ATOM 0 HA ASP A 56 -0.366 12.840 0.968 1.00 42.12 H new ATOM 0 HB2 ASP A 56 -1.242 14.489 -0.402 1.00 5.33 H new ATOM 0 HB3 ASP A 56 -2.684 13.789 0.308 1.00 5.33 H new ATOM 968 N HIS A 57 0.121 14.624 3.513 1.00 71.04 N ATOM 969 CA HIS A 57 1.087 15.403 4.274 1.00 42.31 C ATOM 970 C HIS A 57 2.181 14.519 4.902 1.00 65.25 C ATOM 971 O HIS A 57 3.051 15.048 5.586 1.00 10.52 O ATOM 972 CB HIS A 57 0.354 16.279 5.302 1.00 41.32 C ATOM 973 CG HIS A 57 -0.351 15.516 6.393 1.00 34.01 C ATOM 974 ND1 HIS A 57 0.258 14.924 7.474 1.00 63.22 N ATOM 975 CD2 HIS A 57 -1.702 15.344 6.530 1.00 50.42 C ATOM 976 CE1 HIS A 57 -0.698 14.373 8.236 1.00 4.20 C ATOM 977 NE2 HIS A 57 -1.910 14.616 7.708 1.00 5.10 N ATOM 0 H HIS A 57 -0.603 14.205 4.097 1.00 71.04 H new ATOM 0 HA HIS A 57 1.617 16.067 3.591 1.00 42.31 H new ATOM 0 HB2 HIS A 57 1.074 16.958 5.759 1.00 41.32 H new ATOM 0 HB3 HIS A 57 -0.377 16.895 4.778 1.00 41.32 H new ATOM 0 HD2 HIS A 57 -2.465 15.703 5.855 1.00 50.42 H new ATOM 0 HE1 HIS A 57 -0.520 13.815 9.143 1.00 4.20 H new ATOM 0 HE2 HIS A 57 -2.809 14.326 8.092 1.00 5.10 H new ATOM 985 N VAL A 58 2.186 13.199 4.678 1.00 50.25 N ATOM 986 CA VAL A 58 3.187 12.291 5.242 1.00 41.25 C ATOM 987 C VAL A 58 4.323 12.012 4.252 1.00 50.54 C ATOM 988 O VAL A 58 4.150 12.053 3.029 1.00 22.40 O ATOM 989 CB VAL A 58 2.466 11.006 5.729 1.00 53.14 C ATOM 990 CG1 VAL A 58 3.242 9.689 5.584 1.00 30.24 C ATOM 991 CG2 VAL A 58 2.105 11.180 7.211 1.00 52.41 C ATOM 0 H VAL A 58 1.491 12.730 4.097 1.00 50.25 H new ATOM 0 HA VAL A 58 3.673 12.757 6.099 1.00 41.25 H new ATOM 0 HB VAL A 58 1.601 10.908 5.073 1.00 53.14 H new ATOM 0 HG11 VAL A 58 2.634 8.865 5.958 1.00 30.24 H new ATOM 0 HG12 VAL A 58 3.477 9.519 4.533 1.00 30.24 H new ATOM 0 HG13 VAL A 58 4.167 9.747 6.158 1.00 30.24 H new ATOM 0 HG21 VAL A 58 1.597 10.285 7.569 1.00 52.41 H new ATOM 0 HG22 VAL A 58 3.014 11.338 7.791 1.00 52.41 H new ATOM 0 HG23 VAL A 58 1.447 12.041 7.327 1.00 52.41 H new ATOM 1001 N ASN A 59 5.515 11.742 4.800 1.00 73.45 N ATOM 1002 CA ASN A 59 6.712 11.404 4.034 1.00 34.42 C ATOM 1003 C ASN A 59 6.892 9.893 4.024 1.00 32.21 C ATOM 1004 O ASN A 59 6.578 9.188 4.999 1.00 73.21 O ATOM 1005 CB ASN A 59 8.013 12.085 4.516 1.00 54.12 C ATOM 1006 CG ASN A 59 8.286 12.048 6.012 1.00 34.41 C ATOM 1007 OD1 ASN A 59 8.994 12.890 6.542 1.00 34.14 O ATOM 1008 ND2 ASN A 59 7.788 11.072 6.746 1.00 23.24 N ATOM 0 H ASN A 59 5.673 11.754 5.808 1.00 73.45 H new ATOM 0 HA ASN A 59 6.542 11.792 3.030 1.00 34.42 H new ATOM 0 HB2 ASN A 59 8.853 11.616 4.004 1.00 54.12 H new ATOM 0 HB3 ASN A 59 7.989 13.128 4.199 1.00 54.12 H new ATOM 0 HD21 ASN A 59 7.996 11.027 7.744 1.00 23.24 H new ATOM 0 HD22 ASN A 59 7.195 10.362 6.316 1.00 23.24 H new ATOM 1015 N MET A 60 7.498 9.432 2.932 1.00 30.42 N ATOM 1016 CA MET A 60 7.791 8.032 2.692 1.00 23.11 C ATOM 1017 C MET A 60 8.606 7.476 3.861 1.00 73.45 C ATOM 1018 O MET A 60 8.354 6.357 4.282 1.00 42.42 O ATOM 1019 CB MET A 60 8.512 7.884 1.344 1.00 54.32 C ATOM 1020 CG MET A 60 7.605 8.219 0.150 1.00 25.31 C ATOM 1021 SD MET A 60 6.194 7.105 -0.074 1.00 4.33 S ATOM 1022 CE MET A 60 7.074 5.629 -0.649 1.00 31.11 C ATOM 0 H MET A 60 7.804 10.042 2.174 1.00 30.42 H new ATOM 0 HA MET A 60 6.871 7.451 2.632 1.00 23.11 H new ATOM 0 HB2 MET A 60 9.384 8.538 1.328 1.00 54.32 H new ATOM 0 HB3 MET A 60 8.878 6.862 1.242 1.00 54.32 H new ATOM 0 HG2 MET A 60 7.231 9.236 0.271 1.00 25.31 H new ATOM 0 HG3 MET A 60 8.207 8.207 -0.759 1.00 25.31 H new ATOM 0 HE1 MET A 60 6.771 5.400 -1.671 1.00 31.11 H new ATOM 0 HE2 MET A 60 8.148 5.812 -0.621 1.00 31.11 H new ATOM 0 HE3 MET A 60 6.833 4.786 -0.001 1.00 31.11 H new ATOM 1032 N SER A 61 9.481 8.281 4.467 1.00 54.41 N ATOM 1033 CA SER A 61 10.334 7.942 5.592 1.00 11.10 C ATOM 1034 C SER A 61 9.528 7.349 6.761 1.00 42.32 C ATOM 1035 O SER A 61 9.814 6.224 7.185 1.00 12.41 O ATOM 1036 CB SER A 61 11.119 9.203 5.995 1.00 41.51 C ATOM 1037 OG SER A 61 12.012 8.964 7.066 1.00 70.05 O ATOM 0 H SER A 61 9.616 9.245 4.161 1.00 54.41 H new ATOM 0 HA SER A 61 11.037 7.161 5.303 1.00 11.10 H new ATOM 0 HB2 SER A 61 11.678 9.570 5.134 1.00 41.51 H new ATOM 0 HB3 SER A 61 10.418 9.989 6.278 1.00 41.51 H new ATOM 0 HG SER A 61 12.489 9.792 7.285 1.00 70.05 H new ATOM 1043 N GLU A 62 8.559 8.088 7.312 1.00 71.24 N ATOM 1044 CA GLU A 62 7.753 7.597 8.430 1.00 2.20 C ATOM 1045 C GLU A 62 6.835 6.472 7.973 1.00 2.41 C ATOM 1046 O GLU A 62 6.656 5.516 8.730 1.00 64.03 O ATOM 1047 CB GLU A 62 7.036 8.719 9.189 1.00 4.30 C ATOM 1048 CG GLU A 62 5.766 9.282 8.532 1.00 63.32 C ATOM 1049 CD GLU A 62 4.473 8.703 9.115 1.00 23.33 C ATOM 1050 OE1 GLU A 62 4.196 8.975 10.312 1.00 51.14 O ATOM 1051 OE2 GLU A 62 3.725 8.039 8.379 1.00 65.24 O ATOM 0 H GLU A 62 8.315 9.028 7.000 1.00 71.24 H new ATOM 0 HA GLU A 62 8.429 7.170 9.170 1.00 2.20 H new ATOM 0 HB2 GLU A 62 6.773 8.348 10.180 1.00 4.30 H new ATOM 0 HB3 GLU A 62 7.740 9.539 9.332 1.00 4.30 H new ATOM 0 HG2 GLU A 62 5.755 10.366 8.648 1.00 63.32 H new ATOM 0 HG3 GLU A 62 5.798 9.077 7.462 1.00 63.32 H new ATOM 1058 N LEU A 63 6.290 6.561 6.751 1.00 5.41 N ATOM 1059 CA LEU A 63 5.421 5.505 6.225 1.00 25.01 C ATOM 1060 C LEU A 63 6.201 4.189 6.267 1.00 53.14 C ATOM 1061 O LEU A 63 5.720 3.186 6.801 1.00 32.04 O ATOM 1062 CB LEU A 63 4.907 5.910 4.832 1.00 12.41 C ATOM 1063 CG LEU A 63 4.947 4.909 3.655 1.00 65.14 C ATOM 1064 CD1 LEU A 63 4.358 3.510 3.890 1.00 72.11 C ATOM 1065 CD2 LEU A 63 4.137 5.577 2.547 1.00 73.12 C ATOM 0 H LEU A 63 6.435 7.346 6.116 1.00 5.41 H new ATOM 0 HA LEU A 63 4.525 5.361 6.829 1.00 25.01 H new ATOM 0 HB2 LEU A 63 3.870 6.224 4.951 1.00 12.41 H new ATOM 0 HB3 LEU A 63 5.473 6.790 4.525 1.00 12.41 H new ATOM 0 HG LEU A 63 5.998 4.714 3.444 1.00 65.14 H new ATOM 0 HD11 LEU A 63 4.455 2.917 2.980 1.00 72.11 H new ATOM 0 HD12 LEU A 63 4.896 3.020 4.701 1.00 72.11 H new ATOM 0 HD13 LEU A 63 3.304 3.599 4.155 1.00 72.11 H new ATOM 0 HD21 LEU A 63 4.116 4.929 1.671 1.00 73.12 H new ATOM 0 HD22 LEU A 63 3.119 5.751 2.895 1.00 73.12 H new ATOM 0 HD23 LEU A 63 4.598 6.529 2.283 1.00 73.12 H new ATOM 1077 N ILE A 64 7.428 4.214 5.746 1.00 41.22 N ATOM 1078 CA ILE A 64 8.352 3.099 5.699 1.00 13.40 C ATOM 1079 C ILE A 64 8.530 2.597 7.133 1.00 65.32 C ATOM 1080 O ILE A 64 8.359 1.404 7.368 1.00 54.51 O ATOM 1081 CB ILE A 64 9.669 3.536 5.000 1.00 62.33 C ATOM 1082 CG1 ILE A 64 9.538 3.373 3.467 1.00 3.14 C ATOM 1083 CG2 ILE A 64 10.889 2.768 5.524 1.00 25.21 C ATOM 1084 CD1 ILE A 64 10.515 4.251 2.677 1.00 25.34 C ATOM 0 H ILE A 64 7.816 5.059 5.326 1.00 41.22 H new ATOM 0 HA ILE A 64 7.977 2.268 5.101 1.00 13.40 H new ATOM 0 HB ILE A 64 9.831 4.588 5.236 1.00 62.33 H new ATOM 0 HG12 ILE A 64 9.705 2.328 3.204 1.00 3.14 H new ATOM 0 HG13 ILE A 64 8.518 3.617 3.169 1.00 3.14 H new ATOM 0 HG21 ILE A 64 11.784 3.109 5.005 1.00 25.21 H new ATOM 0 HG22 ILE A 64 11.000 2.947 6.594 1.00 25.21 H new ATOM 0 HG23 ILE A 64 10.751 1.701 5.347 1.00 25.21 H new ATOM 0 HD11 ILE A 64 10.369 4.087 1.609 1.00 25.34 H new ATOM 0 HD12 ILE A 64 10.333 5.300 2.912 1.00 25.34 H new ATOM 0 HD13 ILE A 64 11.538 3.991 2.948 1.00 25.34 H new ATOM 1096 N LYS A 65 8.845 3.470 8.098 1.00 23.11 N ATOM 1097 CA LYS A 65 9.027 3.073 9.494 1.00 34.42 C ATOM 1098 C LYS A 65 7.804 2.291 9.988 1.00 65.42 C ATOM 1099 O LYS A 65 7.975 1.213 10.553 1.00 73.22 O ATOM 1100 CB LYS A 65 9.314 4.311 10.354 1.00 5.23 C ATOM 1101 CG LYS A 65 9.595 3.952 11.823 1.00 44.15 C ATOM 1102 CD LYS A 65 9.302 5.122 12.779 1.00 23.21 C ATOM 1103 CE LYS A 65 7.800 5.444 12.836 1.00 42.25 C ATOM 1104 NZ LYS A 65 7.455 6.448 13.862 1.00 41.34 N ATOM 0 H LYS A 65 8.980 4.467 7.931 1.00 23.11 H new ATOM 0 HA LYS A 65 9.887 2.408 9.578 1.00 34.42 H new ATOM 0 HB2 LYS A 65 10.171 4.845 9.943 1.00 5.23 H new ATOM 0 HB3 LYS A 65 8.462 4.989 10.305 1.00 5.23 H new ATOM 0 HG2 LYS A 65 8.987 3.093 12.107 1.00 44.15 H new ATOM 0 HG3 LYS A 65 10.638 3.653 11.928 1.00 44.15 H new ATOM 0 HD2 LYS A 65 9.660 4.874 13.778 1.00 23.21 H new ATOM 0 HD3 LYS A 65 9.852 6.005 12.453 1.00 23.21 H new ATOM 0 HE2 LYS A 65 7.476 5.806 11.860 1.00 42.25 H new ATOM 0 HE3 LYS A 65 7.246 4.526 13.035 1.00 42.25 H new ATOM 0 HZ1 LYS A 65 6.429 6.620 13.849 1.00 41.34 H new ATOM 0 HZ2 LYS A 65 7.735 6.096 14.800 1.00 41.34 H new ATOM 0 HZ3 LYS A 65 7.957 7.336 13.661 1.00 41.34 H new ATOM 1118 N ILE A 66 6.587 2.807 9.801 1.00 21.41 N ATOM 1119 CA ILE A 66 5.354 2.138 10.222 1.00 32.42 C ATOM 1120 C ILE A 66 5.286 0.743 9.576 1.00 34.44 C ATOM 1121 O ILE A 66 4.977 -0.239 10.258 1.00 32.14 O ATOM 1122 CB ILE A 66 4.149 3.063 9.916 1.00 24.41 C ATOM 1123 CG1 ILE A 66 4.034 4.167 10.993 1.00 2.22 C ATOM 1124 CG2 ILE A 66 2.815 2.311 9.785 1.00 1.34 C ATOM 1125 CD1 ILE A 66 3.526 5.480 10.392 1.00 22.24 C ATOM 0 H ILE A 66 6.428 3.708 9.350 1.00 21.41 H new ATOM 0 HA ILE A 66 5.330 1.963 11.298 1.00 32.42 H new ATOM 0 HB ILE A 66 4.347 3.511 8.942 1.00 24.41 H new ATOM 0 HG12 ILE A 66 3.357 3.839 11.782 1.00 2.22 H new ATOM 0 HG13 ILE A 66 5.007 4.329 11.456 1.00 2.22 H new ATOM 0 HG21 ILE A 66 2.016 3.021 9.571 1.00 1.34 H new ATOM 0 HG22 ILE A 66 2.884 1.587 8.973 1.00 1.34 H new ATOM 0 HG23 ILE A 66 2.597 1.791 10.718 1.00 1.34 H new ATOM 0 HD11 ILE A 66 3.456 6.235 11.175 1.00 22.24 H new ATOM 0 HD12 ILE A 66 4.218 5.819 9.621 1.00 22.24 H new ATOM 0 HD13 ILE A 66 2.541 5.322 9.952 1.00 22.24 H new ATOM 1137 N ILE A 67 5.593 0.627 8.284 1.00 72.35 N ATOM 1138 CA ILE A 67 5.588 -0.641 7.563 1.00 34.31 C ATOM 1139 C ILE A 67 6.613 -1.595 8.208 1.00 10.44 C ATOM 1140 O ILE A 67 6.277 -2.740 8.514 1.00 33.02 O ATOM 1141 CB ILE A 67 5.766 -0.360 6.042 1.00 64.43 C ATOM 1142 CG1 ILE A 67 4.494 -0.721 5.239 1.00 44.31 C ATOM 1143 CG2 ILE A 67 6.989 -1.027 5.394 1.00 3.24 C ATOM 1144 CD1 ILE A 67 3.273 0.121 5.637 1.00 1.24 C ATOM 0 H ILE A 67 5.855 1.423 7.703 1.00 72.35 H new ATOM 0 HA ILE A 67 4.636 -1.165 7.641 1.00 34.31 H new ATOM 0 HB ILE A 67 5.944 0.714 5.996 1.00 64.43 H new ATOM 0 HG12 ILE A 67 4.691 -0.584 4.176 1.00 44.31 H new ATOM 0 HG13 ILE A 67 4.265 -1.776 5.388 1.00 44.31 H new ATOM 0 HG21 ILE A 67 7.025 -0.771 4.335 1.00 3.24 H new ATOM 0 HG22 ILE A 67 7.897 -0.675 5.883 1.00 3.24 H new ATOM 0 HG23 ILE A 67 6.914 -2.109 5.503 1.00 3.24 H new ATOM 0 HD11 ILE A 67 2.413 -0.180 5.038 1.00 1.24 H new ATOM 0 HD12 ILE A 67 3.052 -0.035 6.693 1.00 1.24 H new ATOM 0 HD13 ILE A 67 3.486 1.176 5.462 1.00 1.24 H new ATOM 1156 N ARG A 68 7.842 -1.142 8.495 1.00 22.33 N ATOM 1157 CA ARG A 68 8.863 -1.986 9.108 1.00 33.04 C ATOM 1158 C ARG A 68 8.421 -2.414 10.508 1.00 65.13 C ATOM 1159 O ARG A 68 8.693 -3.547 10.903 1.00 53.41 O ATOM 1160 CB ARG A 68 10.207 -1.235 9.120 1.00 21.32 C ATOM 1161 CG ARG A 68 10.701 -0.953 7.689 1.00 61.13 C ATOM 1162 CD ARG A 68 12.083 -0.296 7.648 1.00 64.32 C ATOM 1163 NE ARG A 68 13.174 -1.278 7.551 1.00 25.41 N ATOM 1164 CZ ARG A 68 14.465 -0.946 7.442 1.00 22.20 C ATOM 1165 NH1 ARG A 68 14.830 0.299 7.180 1.00 42.42 N ATOM 1166 NH2 ARG A 68 15.423 -1.852 7.577 1.00 21.30 N ATOM 0 H ARG A 68 8.149 -0.187 8.308 1.00 22.33 H new ATOM 0 HA ARG A 68 8.997 -2.897 8.525 1.00 33.04 H new ATOM 0 HB2 ARG A 68 10.096 -0.295 9.661 1.00 21.32 H new ATOM 0 HB3 ARG A 68 10.951 -1.825 9.655 1.00 21.32 H new ATOM 0 HG2 ARG A 68 10.734 -1.889 7.132 1.00 61.13 H new ATOM 0 HG3 ARG A 68 9.983 -0.307 7.184 1.00 61.13 H new ATOM 0 HD2 ARG A 68 12.133 0.383 6.797 1.00 64.32 H new ATOM 0 HD3 ARG A 68 12.221 0.307 8.545 1.00 64.32 H new ATOM 0 HE ARG A 68 12.932 -2.269 7.568 1.00 25.41 H new ATOM 0 HH11 ARG A 68 14.122 1.023 7.058 1.00 42.42 H new ATOM 0 HH12 ARG A 68 15.819 0.534 7.100 1.00 42.42 H new ATOM 0 HH21 ARG A 68 15.182 -2.825 7.768 1.00 21.30 H new ATOM 0 HH22 ARG A 68 16.401 -1.577 7.490 1.00 21.30 H new ATOM 1180 N ARG A 69 7.699 -1.557 11.234 1.00 3.10 N ATOM 1181 CA ARG A 69 7.222 -1.839 12.581 1.00 31.33 C ATOM 1182 C ARG A 69 6.266 -3.013 12.605 1.00 44.21 C ATOM 1183 O ARG A 69 6.550 -4.003 13.281 1.00 73.33 O ATOM 1184 CB ARG A 69 6.531 -0.598 13.167 1.00 65.22 C ATOM 1185 CG ARG A 69 6.245 -0.806 14.666 1.00 65.11 C ATOM 1186 CD ARG A 69 6.045 0.521 15.398 1.00 72.24 C ATOM 1187 NE ARG A 69 7.287 1.307 15.433 1.00 22.44 N ATOM 1188 CZ ARG A 69 7.387 2.581 15.816 1.00 45.42 C ATOM 1189 NH1 ARG A 69 6.338 3.225 16.316 1.00 5.52 N ATOM 1190 NH2 ARG A 69 8.542 3.221 15.692 1.00 41.41 N ATOM 0 H ARG A 69 7.428 -0.635 10.893 1.00 3.10 H new ATOM 0 HA ARG A 69 8.089 -2.099 13.188 1.00 31.33 H new ATOM 0 HB2 ARG A 69 7.164 0.279 13.028 1.00 65.22 H new ATOM 0 HB3 ARG A 69 5.599 -0.406 12.635 1.00 65.22 H new ATOM 0 HG2 ARG A 69 5.354 -1.423 14.783 1.00 65.11 H new ATOM 0 HG3 ARG A 69 7.072 -1.351 15.121 1.00 65.11 H new ATOM 0 HD2 ARG A 69 5.262 1.096 14.904 1.00 72.24 H new ATOM 0 HD3 ARG A 69 5.705 0.329 16.416 1.00 72.24 H new ATOM 0 HE ARG A 69 8.144 0.839 15.140 1.00 22.44 H new ATOM 0 HH11 ARG A 69 5.443 2.745 16.411 1.00 5.52 H new ATOM 0 HH12 ARG A 69 6.428 4.199 16.605 1.00 5.52 H new ATOM 0 HH21 ARG A 69 9.353 2.739 15.304 1.00 41.41 H new ATOM 0 HH22 ARG A 69 8.619 4.195 15.985 1.00 41.41 H new ATOM 1204 N ARG A 70 5.146 -2.930 11.882 1.00 71.12 N ATOM 1205 CA ARG A 70 4.175 -4.028 11.874 1.00 14.23 C ATOM 1206 C ARG A 70 4.799 -5.307 11.339 1.00 25.31 C ATOM 1207 O ARG A 70 4.519 -6.380 11.867 1.00 62.33 O ATOM 1208 CB ARG A 70 2.885 -3.681 11.115 1.00 74.41 C ATOM 1209 CG ARG A 70 3.105 -2.953 9.779 1.00 50.41 C ATOM 1210 CD ARG A 70 2.171 -3.398 8.641 1.00 73.04 C ATOM 1211 NE ARG A 70 0.776 -3.578 9.067 1.00 73.13 N ATOM 1212 CZ ARG A 70 -0.094 -2.617 9.409 1.00 52.14 C ATOM 1213 NH1 ARG A 70 0.257 -1.336 9.312 1.00 10.32 N ATOM 1214 NH2 ARG A 70 -1.301 -2.922 9.860 1.00 63.14 N ATOM 0 H ARG A 70 4.891 -2.129 11.304 1.00 71.12 H new ATOM 0 HA ARG A 70 3.887 -4.193 12.912 1.00 14.23 H new ATOM 0 HB2 ARG A 70 2.332 -4.601 10.926 1.00 74.41 H new ATOM 0 HB3 ARG A 70 2.259 -3.058 11.754 1.00 74.41 H new ATOM 0 HG2 ARG A 70 2.975 -1.883 9.939 1.00 50.41 H new ATOM 0 HG3 ARG A 70 4.137 -3.106 9.464 1.00 50.41 H new ATOM 0 HD2 ARG A 70 2.206 -2.658 7.842 1.00 73.04 H new ATOM 0 HD3 ARG A 70 2.540 -4.335 8.224 1.00 73.04 H new ATOM 0 HE ARG A 70 0.433 -4.538 9.107 1.00 73.13 H new ATOM 0 HH11 ARG A 70 1.188 -1.086 8.978 1.00 10.32 H new ATOM 0 HH12 ARG A 70 -0.405 -0.605 9.572 1.00 10.32 H new ATOM 0 HH21 ARG A 70 -1.580 -3.899 9.951 1.00 63.14 H new ATOM 0 HH22 ARG A 70 -1.952 -2.180 10.116 1.00 63.14 H new ATOM 1228 N LEU A 71 5.667 -5.217 10.330 1.00 44.42 N ATOM 1229 CA LEU A 71 6.314 -6.400 9.766 1.00 1.14 C ATOM 1230 C LEU A 71 7.413 -6.946 10.692 1.00 21.11 C ATOM 1231 O LEU A 71 7.975 -8.004 10.406 1.00 21.22 O ATOM 1232 CB LEU A 71 6.910 -6.058 8.388 1.00 25.22 C ATOM 1233 CG LEU A 71 5.821 -5.759 7.342 1.00 74.25 C ATOM 1234 CD1 LEU A 71 6.385 -4.992 6.142 1.00 70.25 C ATOM 1235 CD2 LEU A 71 5.129 -7.042 6.864 1.00 3.50 C ATOM 0 H LEU A 71 5.937 -4.338 9.888 1.00 44.42 H new ATOM 0 HA LEU A 71 5.557 -7.177 9.659 1.00 1.14 H new ATOM 0 HB2 LEU A 71 7.568 -5.194 8.483 1.00 25.22 H new ATOM 0 HB3 LEU A 71 7.524 -6.890 8.043 1.00 25.22 H new ATOM 0 HG LEU A 71 5.080 -5.130 7.835 1.00 74.25 H new ATOM 0 HD11 LEU A 71 5.587 -4.799 5.425 1.00 70.25 H new ATOM 0 HD12 LEU A 71 6.805 -4.045 6.480 1.00 70.25 H new ATOM 0 HD13 LEU A 71 7.165 -5.585 5.665 1.00 70.25 H new ATOM 0 HD21 LEU A 71 4.367 -6.791 6.126 1.00 3.50 H new ATOM 0 HD22 LEU A 71 5.866 -7.706 6.413 1.00 3.50 H new ATOM 0 HD23 LEU A 71 4.662 -7.541 7.713 1.00 3.50 H new ATOM 1247 N GLN A 72 7.709 -6.261 11.807 1.00 11.22 N ATOM 1248 CA GLN A 72 8.735 -6.611 12.787 1.00 5.23 C ATOM 1249 C GLN A 72 10.084 -6.779 12.073 1.00 71.01 C ATOM 1250 O GLN A 72 10.866 -7.665 12.408 1.00 32.04 O ATOM 1251 CB GLN A 72 8.321 -7.836 13.628 1.00 73.03 C ATOM 1252 CG GLN A 72 6.967 -7.709 14.347 1.00 73.23 C ATOM 1253 CD GLN A 72 7.056 -6.901 15.638 1.00 22.20 C ATOM 1254 OE1 GLN A 72 7.079 -7.466 16.725 1.00 61.31 O ATOM 1255 NE2 GLN A 72 7.072 -5.580 15.589 1.00 74.11 N ATOM 0 H GLN A 72 7.212 -5.406 12.057 1.00 11.22 H new ATOM 0 HA GLN A 72 8.847 -5.801 13.507 1.00 5.23 H new ATOM 0 HB2 GLN A 72 8.288 -8.709 12.977 1.00 73.03 H new ATOM 0 HB3 GLN A 72 9.094 -8.023 14.373 1.00 73.03 H new ATOM 0 HG2 GLN A 72 6.248 -7.237 13.677 1.00 73.23 H new ATOM 0 HG3 GLN A 72 6.586 -8.705 14.573 1.00 73.23 H new ATOM 0 HE21 GLN A 72 7.053 -5.103 14.688 1.00 74.11 H new ATOM 0 HE22 GLN A 72 7.103 -5.038 16.452 1.00 74.11 H new ATOM 1264 N LEU A 73 10.330 -5.956 11.046 1.00 52.52 N ATOM 1265 CA LEU A 73 11.547 -5.972 10.246 1.00 10.32 C ATOM 1266 C LEU A 73 12.731 -5.704 11.172 1.00 72.24 C ATOM 1267 O LEU A 73 12.709 -4.721 11.924 1.00 14.40 O ATOM 1268 CB LEU A 73 11.424 -4.957 9.095 1.00 10.43 C ATOM 1269 CG LEU A 73 12.501 -5.115 8.000 1.00 73.11 C ATOM 1270 CD1 LEU A 73 12.020 -4.558 6.658 1.00 5.41 C ATOM 1271 CD2 LEU A 73 13.846 -4.476 8.346 1.00 2.43 C ATOM 0 H LEU A 73 9.665 -5.243 10.746 1.00 52.52 H new ATOM 0 HA LEU A 73 11.708 -6.943 9.777 1.00 10.32 H new ATOM 0 HB2 LEU A 73 10.439 -5.058 8.639 1.00 10.43 H new ATOM 0 HB3 LEU A 73 11.483 -3.949 9.505 1.00 10.43 H new ATOM 0 HG LEU A 73 12.662 -6.191 7.929 1.00 73.11 H new ATOM 0 HD11 LEU A 73 12.802 -4.685 5.910 1.00 5.41 H new ATOM 0 HD12 LEU A 73 11.125 -5.093 6.342 1.00 5.41 H new ATOM 0 HD13 LEU A 73 11.790 -3.498 6.765 1.00 5.41 H new ATOM 0 HD21 LEU A 73 14.545 -4.633 7.525 1.00 2.43 H new ATOM 0 HD22 LEU A 73 13.710 -3.407 8.508 1.00 2.43 H new ATOM 0 HD23 LEU A 73 14.243 -4.933 9.253 1.00 2.43 H new ATOM 1283 N ASN A 74 13.748 -6.559 11.040 1.00 62.13 N ATOM 1284 CA ASN A 74 15.006 -6.595 11.781 1.00 54.55 C ATOM 1285 C ASN A 74 15.700 -5.245 11.961 1.00 23.30 C ATOM 1286 O ASN A 74 15.475 -4.286 11.221 1.00 14.11 O ATOM 1287 CB ASN A 74 15.980 -7.575 11.104 1.00 31.24 C ATOM 1288 CG ASN A 74 16.706 -8.433 12.125 1.00 34.14 C ATOM 1289 OD1 ASN A 74 17.105 -7.934 13.169 1.00 2.12 O ATOM 1290 ND2 ASN A 74 16.939 -9.693 11.810 1.00 61.41 N ATOM 0 H ASN A 74 13.706 -7.309 10.350 1.00 62.13 H new ATOM 0 HA ASN A 74 14.733 -6.923 12.784 1.00 54.55 H new ATOM 0 HB2 ASN A 74 15.432 -8.215 10.413 1.00 31.24 H new ATOM 0 HB3 ASN A 74 16.707 -7.017 10.513 1.00 31.24 H new ATOM 0 HD21 ASN A 74 17.469 -10.288 12.447 1.00 61.41 H new ATOM 0 HD22 ASN A 74 16.589 -10.072 10.930 1.00 61.41 H new ATOM 1297 N ALA A 75 16.586 -5.200 12.949 1.00 63.24 N ATOM 1298 CA ALA A 75 17.411 -4.065 13.346 1.00 73.35 C ATOM 1299 C ALA A 75 18.842 -4.241 12.826 1.00 63.41 C ATOM 1300 O ALA A 75 19.705 -3.401 13.084 1.00 52.22 O ATOM 1301 CB ALA A 75 17.382 -3.936 14.864 1.00 33.34 C ATOM 0 H ALA A 75 16.759 -6.016 13.537 1.00 63.24 H new ATOM 0 HA ALA A 75 17.015 -3.148 12.910 1.00 73.35 H new ATOM 0 HB1 ALA A 75 17.997 -3.089 15.169 1.00 33.34 H new ATOM 0 HB2 ALA A 75 16.356 -3.778 15.196 1.00 33.34 H new ATOM 0 HB3 ALA A 75 17.772 -4.849 15.314 1.00 33.34 H new ATOM 1307 N ASN A 76 19.093 -5.350 12.125 1.00 24.24 N ATOM 1308 CA ASN A 76 20.363 -5.698 11.507 1.00 14.22 C ATOM 1309 C ASN A 76 20.178 -5.898 10.004 1.00 14.54 C ATOM 1310 O ASN A 76 21.177 -6.088 9.310 1.00 72.25 O ATOM 1311 CB ASN A 76 21.017 -6.922 12.170 1.00 4.53 C ATOM 1312 CG ASN A 76 20.147 -8.165 12.258 1.00 73.24 C ATOM 1313 OD1 ASN A 76 19.870 -8.660 13.346 1.00 21.00 O ATOM 1314 ND2 ASN A 76 19.688 -8.716 11.146 1.00 71.34 N ATOM 0 H ASN A 76 18.377 -6.060 11.969 1.00 24.24 H new ATOM 0 HA ASN A 76 21.051 -4.867 11.662 1.00 14.22 H new ATOM 0 HB2 ASN A 76 21.922 -7.172 11.616 1.00 4.53 H new ATOM 0 HB3 ASN A 76 21.326 -6.645 13.178 1.00 4.53 H new ATOM 0 HD21 ASN A 76 19.105 -9.551 11.194 1.00 71.34 H new ATOM 0 HD22 ASN A 76 19.918 -8.305 10.241 1.00 71.34 H new ATOM 1321 N GLN A 77 18.937 -5.903 9.487 1.00 13.40 N ATOM 1322 CA GLN A 77 18.680 -6.082 8.056 1.00 41.15 C ATOM 1323 C GLN A 77 18.066 -4.806 7.464 1.00 70.21 C ATOM 1324 O GLN A 77 17.332 -4.087 8.150 1.00 14.12 O ATOM 1325 CB GLN A 77 17.872 -7.377 7.805 1.00 30.41 C ATOM 1326 CG GLN A 77 16.363 -7.206 7.545 1.00 42.12 C ATOM 1327 CD GLN A 77 15.684 -8.520 7.159 1.00 53.11 C ATOM 1328 OE1 GLN A 77 14.812 -9.023 7.860 1.00 24.44 O ATOM 1329 NE2 GLN A 77 16.047 -9.087 6.024 1.00 45.15 N ATOM 0 H GLN A 77 18.093 -5.784 10.048 1.00 13.40 H new ATOM 0 HA GLN A 77 19.617 -6.228 7.518 1.00 41.15 H new ATOM 0 HB2 GLN A 77 18.309 -7.892 6.950 1.00 30.41 H new ATOM 0 HB3 GLN A 77 17.998 -8.030 8.668 1.00 30.41 H new ATOM 0 HG2 GLN A 77 15.887 -6.803 8.439 1.00 42.12 H new ATOM 0 HG3 GLN A 77 16.215 -6.476 6.749 1.00 42.12 H new ATOM 0 HE21 GLN A 77 16.773 -8.659 5.450 1.00 45.15 H new ATOM 0 HE22 GLN A 77 15.601 -9.953 5.721 1.00 45.15 H new ATOM 1338 N ALA A 78 18.323 -4.545 6.180 1.00 72.34 N ATOM 1339 CA ALA A 78 17.826 -3.377 5.459 1.00 44.14 C ATOM 1340 C ALA A 78 16.889 -3.780 4.325 1.00 34.23 C ATOM 1341 O ALA A 78 16.904 -4.930 3.882 1.00 3.52 O ATOM 1342 CB ALA A 78 19.009 -2.584 4.894 1.00 21.41 C ATOM 0 H ALA A 78 18.897 -5.157 5.601 1.00 72.34 H new ATOM 0 HA ALA A 78 17.263 -2.759 6.158 1.00 44.14 H new ATOM 0 HB1 ALA A 78 18.638 -1.712 4.356 1.00 21.41 H new ATOM 0 HB2 ALA A 78 19.653 -2.259 5.711 1.00 21.41 H new ATOM 0 HB3 ALA A 78 19.578 -3.216 4.213 1.00 21.41 H new ATOM 1348 N PHE A 79 16.061 -2.840 3.864 1.00 23.33 N ATOM 1349 CA PHE A 79 15.128 -3.053 2.765 1.00 52.23 C ATOM 1350 C PHE A 79 14.999 -1.772 1.932 1.00 34.00 C ATOM 1351 O PHE A 79 15.541 -0.730 2.319 1.00 24.21 O ATOM 1352 CB PHE A 79 13.787 -3.588 3.302 1.00 42.11 C ATOM 1353 CG PHE A 79 12.679 -2.595 3.610 1.00 23.04 C ATOM 1354 CD1 PHE A 79 12.963 -1.307 4.099 1.00 44.22 C ATOM 1355 CD2 PHE A 79 11.342 -2.955 3.352 1.00 52.22 C ATOM 1356 CE1 PHE A 79 11.937 -0.365 4.231 1.00 31.10 C ATOM 1357 CE2 PHE A 79 10.302 -2.032 3.558 1.00 44.42 C ATOM 1358 CZ PHE A 79 10.602 -0.727 3.982 1.00 12.14 C ATOM 0 H PHE A 79 16.022 -1.897 4.252 1.00 23.33 H new ATOM 0 HA PHE A 79 15.508 -3.819 2.089 1.00 52.23 H new ATOM 0 HB2 PHE A 79 13.400 -4.301 2.574 1.00 42.11 H new ATOM 0 HB3 PHE A 79 13.995 -4.146 4.215 1.00 42.11 H new ATOM 0 HD1 PHE A 79 13.974 -1.045 4.373 1.00 44.22 H new ATOM 0 HD2 PHE A 79 11.114 -3.948 2.993 1.00 52.22 H new ATOM 0 HE1 PHE A 79 12.172 0.647 4.526 1.00 31.10 H new ATOM 0 HE2 PHE A 79 9.276 -2.325 3.391 1.00 44.42 H new ATOM 0 HZ PHE A 79 9.810 -0.005 4.116 1.00 12.14 H new ATOM 1368 N PHE A 80 14.284 -1.849 0.814 1.00 33.31 N ATOM 1369 CA PHE A 80 14.025 -0.759 -0.111 1.00 30.40 C ATOM 1370 C PHE A 80 12.562 -0.840 -0.544 1.00 34.31 C ATOM 1371 O PHE A 80 11.901 -1.873 -0.375 1.00 23.00 O ATOM 1372 CB PHE A 80 14.998 -0.830 -1.299 1.00 1.24 C ATOM 1373 CG PHE A 80 16.452 -0.643 -0.908 1.00 50.21 C ATOM 1374 CD1 PHE A 80 17.229 -1.731 -0.469 1.00 14.21 C ATOM 1375 CD2 PHE A 80 17.026 0.638 -0.961 1.00 45.22 C ATOM 1376 CE1 PHE A 80 18.572 -1.538 -0.105 1.00 13.34 C ATOM 1377 CE2 PHE A 80 18.366 0.831 -0.588 1.00 10.32 C ATOM 1378 CZ PHE A 80 19.151 -0.261 -0.186 1.00 51.15 C ATOM 0 H PHE A 80 13.848 -2.722 0.516 1.00 33.31 H new ATOM 0 HA PHE A 80 14.191 0.207 0.366 1.00 30.40 H new ATOM 0 HB2 PHE A 80 14.885 -1.795 -1.793 1.00 1.24 H new ATOM 0 HB3 PHE A 80 14.725 -0.066 -2.027 1.00 1.24 H new ATOM 0 HD1 PHE A 80 16.792 -2.717 -0.412 1.00 14.21 H new ATOM 0 HD2 PHE A 80 16.434 1.479 -1.290 1.00 45.22 H new ATOM 0 HE1 PHE A 80 19.162 -2.375 0.239 1.00 13.34 H new ATOM 0 HE2 PHE A 80 18.794 1.822 -0.610 1.00 10.32 H new ATOM 0 HZ PHE A 80 20.193 -0.120 0.059 1.00 51.15 H new ATOM 1388 N LEU A 81 12.060 0.261 -1.107 1.00 23.42 N ATOM 1389 CA LEU A 81 10.691 0.422 -1.567 1.00 42.11 C ATOM 1390 C LEU A 81 10.723 1.046 -2.958 1.00 11.14 C ATOM 1391 O LEU A 81 11.189 2.173 -3.129 1.00 24.24 O ATOM 1392 CB LEU A 81 9.952 1.277 -0.523 1.00 12.31 C ATOM 1393 CG LEU A 81 8.433 1.396 -0.739 1.00 31.22 C ATOM 1394 CD1 LEU A 81 7.781 1.841 0.579 1.00 23.33 C ATOM 1395 CD2 LEU A 81 8.060 2.403 -1.832 1.00 5.31 C ATOM 0 H LEU A 81 12.625 1.096 -1.258 1.00 23.42 H new ATOM 0 HA LEU A 81 10.157 -0.524 -1.659 1.00 42.11 H new ATOM 0 HB2 LEU A 81 10.131 0.853 0.465 1.00 12.31 H new ATOM 0 HB3 LEU A 81 10.384 2.278 -0.523 1.00 12.31 H new ATOM 0 HG LEU A 81 8.074 0.418 -1.059 1.00 31.22 H new ATOM 0 HD11 LEU A 81 6.703 1.929 0.440 1.00 23.33 H new ATOM 0 HD12 LEU A 81 7.988 1.103 1.354 1.00 23.33 H new ATOM 0 HD13 LEU A 81 8.189 2.806 0.879 1.00 23.33 H new ATOM 0 HD21 LEU A 81 6.976 2.441 -1.937 1.00 5.31 H new ATOM 0 HD22 LEU A 81 8.433 3.390 -1.560 1.00 5.31 H new ATOM 0 HD23 LEU A 81 8.505 2.095 -2.778 1.00 5.31 H new ATOM 1407 N LEU A 82 10.278 0.297 -3.962 1.00 3.34 N ATOM 1408 CA LEU A 82 10.233 0.732 -5.351 1.00 33.31 C ATOM 1409 C LEU A 82 8.817 1.212 -5.642 1.00 64.42 C ATOM 1410 O LEU A 82 7.852 0.710 -5.058 1.00 65.02 O ATOM 1411 CB LEU A 82 10.598 -0.395 -6.328 1.00 74.15 C ATOM 1412 CG LEU A 82 11.662 -1.401 -5.859 1.00 45.24 C ATOM 1413 CD1 LEU A 82 10.998 -2.644 -5.251 1.00 5.14 C ATOM 1414 CD2 LEU A 82 12.512 -1.789 -7.064 1.00 25.01 C ATOM 0 H LEU A 82 9.930 -0.652 -3.827 1.00 3.34 H new ATOM 0 HA LEU A 82 10.965 1.527 -5.491 1.00 33.31 H new ATOM 0 HB2 LEU A 82 9.689 -0.948 -6.564 1.00 74.15 H new ATOM 0 HB3 LEU A 82 10.945 0.059 -7.256 1.00 74.15 H new ATOM 0 HG LEU A 82 12.287 -0.949 -5.089 1.00 45.24 H new ATOM 0 HD11 LEU A 82 11.767 -3.344 -4.925 1.00 5.14 H new ATOM 0 HD12 LEU A 82 10.389 -2.350 -4.396 1.00 5.14 H new ATOM 0 HD13 LEU A 82 10.366 -3.122 -6.000 1.00 5.14 H new ATOM 0 HD21 LEU A 82 13.275 -2.503 -6.756 1.00 25.01 H new ATOM 0 HD22 LEU A 82 11.878 -2.242 -7.826 1.00 25.01 H new ATOM 0 HD23 LEU A 82 12.991 -0.899 -7.473 1.00 25.01 H new ATOM 1426 N VAL A 83 8.672 2.150 -6.571 1.00 34.43 N ATOM 1427 CA VAL A 83 7.376 2.691 -6.948 1.00 4.44 C ATOM 1428 C VAL A 83 7.160 2.291 -8.395 1.00 22.12 C ATOM 1429 O VAL A 83 8.084 2.350 -9.197 1.00 2.52 O ATOM 1430 CB VAL A 83 7.308 4.192 -6.624 1.00 42.53 C ATOM 1431 CG1 VAL A 83 5.887 4.698 -6.905 1.00 65.03 C ATOM 1432 CG2 VAL A 83 7.606 4.464 -5.136 1.00 45.55 C ATOM 0 H VAL A 83 9.454 2.557 -7.084 1.00 34.43 H new ATOM 0 HA VAL A 83 6.541 2.287 -6.375 1.00 4.44 H new ATOM 0 HB VAL A 83 8.051 4.699 -7.240 1.00 42.53 H new ATOM 0 HG11 VAL A 83 5.828 5.763 -6.678 1.00 65.03 H new ATOM 0 HG12 VAL A 83 5.645 4.537 -7.955 1.00 65.03 H new ATOM 0 HG13 VAL A 83 5.177 4.154 -6.281 1.00 65.03 H new ATOM 0 HG21 VAL A 83 7.549 5.535 -4.943 1.00 45.55 H new ATOM 0 HG22 VAL A 83 6.874 3.945 -4.517 1.00 45.55 H new ATOM 0 HG23 VAL A 83 8.606 4.104 -4.894 1.00 45.55 H new ATOM 1442 N ASN A 84 5.979 1.760 -8.716 1.00 74.13 N ATOM 1443 CA ASN A 84 5.586 1.258 -10.041 1.00 33.14 C ATOM 1444 C ASN A 84 6.390 0.015 -10.460 1.00 34.41 C ATOM 1445 O ASN A 84 6.026 -0.680 -11.408 1.00 70.45 O ATOM 1446 CB ASN A 84 5.692 2.328 -11.146 1.00 62.22 C ATOM 1447 CG ASN A 84 4.365 2.566 -11.839 1.00 23.41 C ATOM 1448 OD1 ASN A 84 3.624 1.624 -12.113 1.00 4.00 O ATOM 1449 ND2 ASN A 84 4.053 3.816 -12.114 1.00 62.22 N ATOM 0 H ASN A 84 5.232 1.662 -8.028 1.00 74.13 H new ATOM 0 HA ASN A 84 4.537 0.980 -9.934 1.00 33.14 H new ATOM 0 HB2 ASN A 84 6.046 3.263 -10.712 1.00 62.22 H new ATOM 0 HB3 ASN A 84 6.434 2.017 -11.881 1.00 62.22 H new ATOM 0 HD21 ASN A 84 3.167 4.032 -12.572 1.00 62.22 H new ATOM 0 HD22 ASN A 84 4.697 4.568 -11.869 1.00 62.22 H new ATOM 1456 N GLY A 85 7.438 -0.325 -9.710 1.00 62.01 N ATOM 1457 CA GLY A 85 8.359 -1.425 -9.917 1.00 51.42 C ATOM 1458 C GLY A 85 9.794 -0.912 -10.062 1.00 33.33 C ATOM 1459 O GLY A 85 10.664 -1.734 -10.343 1.00 53.41 O ATOM 0 H GLY A 85 7.678 0.210 -8.876 1.00 62.01 H new ATOM 0 HA2 GLY A 85 8.299 -2.118 -9.078 1.00 51.42 H new ATOM 0 HA3 GLY A 85 8.074 -1.980 -10.811 1.00 51.42 H new ATOM 1463 N HIS A 86 10.044 0.395 -9.866 1.00 54.35 N ATOM 1464 CA HIS A 86 11.354 1.026 -9.991 1.00 62.42 C ATOM 1465 C HIS A 86 11.614 1.993 -8.835 1.00 33.44 C ATOM 1466 O HIS A 86 10.771 2.813 -8.483 1.00 54.33 O ATOM 1467 CB HIS A 86 11.481 1.747 -11.347 1.00 61.25 C ATOM 1468 CG HIS A 86 10.442 2.787 -11.694 1.00 5.52 C ATOM 1469 ND1 HIS A 86 10.694 4.115 -11.948 1.00 34.43 N ATOM 1470 CD2 HIS A 86 9.122 2.562 -11.987 1.00 10.13 C ATOM 1471 CE1 HIS A 86 9.548 4.668 -12.374 1.00 32.11 C ATOM 1472 NE2 HIS A 86 8.558 3.766 -12.405 1.00 65.11 N ATOM 0 H HIS A 86 9.311 1.055 -9.608 1.00 54.35 H new ATOM 0 HA HIS A 86 12.111 0.243 -9.946 1.00 62.42 H new ATOM 0 HB2 HIS A 86 12.459 2.227 -11.380 1.00 61.25 H new ATOM 0 HB3 HIS A 86 11.471 0.990 -12.131 1.00 61.25 H new ATOM 0 HD1 HIS A 86 11.588 4.592 -11.834 1.00 34.43 H new ATOM 0 HD2 HIS A 86 8.608 1.615 -11.908 1.00 10.13 H new ATOM 0 HE1 HIS A 86 9.438 5.705 -12.655 1.00 32.11 H new ATOM 1480 N SER A 87 12.764 1.870 -8.185 1.00 30.43 N ATOM 1481 CA SER A 87 13.176 2.713 -7.074 1.00 72.04 C ATOM 1482 C SER A 87 13.907 3.926 -7.646 1.00 14.50 C ATOM 1483 O SER A 87 15.108 3.812 -7.906 1.00 10.22 O ATOM 1484 CB SER A 87 14.066 1.896 -6.121 1.00 24.10 C ATOM 1485 OG SER A 87 14.976 1.079 -6.847 1.00 12.51 O ATOM 0 H SER A 87 13.455 1.159 -8.425 1.00 30.43 H new ATOM 0 HA SER A 87 12.319 3.064 -6.499 1.00 72.04 H new ATOM 0 HB2 SER A 87 14.619 2.570 -5.467 1.00 24.10 H new ATOM 0 HB3 SER A 87 13.442 1.272 -5.481 1.00 24.10 H new ATOM 0 HG SER A 87 15.441 1.623 -7.517 1.00 12.51 H new ATOM 1491 N MET A 88 13.227 5.060 -7.869 1.00 32.31 N ATOM 1492 CA MET A 88 13.896 6.256 -8.413 1.00 1.23 C ATOM 1493 C MET A 88 13.624 7.543 -7.626 1.00 53.12 C ATOM 1494 O MET A 88 14.054 8.617 -8.047 1.00 70.04 O ATOM 1495 CB MET A 88 13.644 6.396 -9.924 1.00 14.30 C ATOM 1496 CG MET A 88 12.283 6.993 -10.284 1.00 4.24 C ATOM 1497 SD MET A 88 12.039 7.168 -12.068 1.00 3.11 S ATOM 1498 CE MET A 88 10.553 8.195 -12.035 1.00 72.11 C ATOM 0 H MET A 88 12.230 5.177 -7.685 1.00 32.31 H new ATOM 0 HA MET A 88 14.966 6.095 -8.279 1.00 1.23 H new ATOM 0 HB2 MET A 88 14.427 7.021 -10.354 1.00 14.30 H new ATOM 0 HB3 MET A 88 13.730 5.413 -10.387 1.00 14.30 H new ATOM 0 HG2 MET A 88 11.495 6.360 -9.875 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.184 7.970 -9.812 1.00 4.24 H new ATOM 0 HE1 MET A 88 9.994 8.056 -12.961 1.00 72.11 H new ATOM 0 HE2 MET A 88 9.930 7.906 -11.188 1.00 72.11 H new ATOM 0 HE3 MET A 88 10.837 9.243 -11.936 1.00 72.11 H new ATOM 1508 N VAL A 89 12.924 7.461 -6.493 1.00 54.34 N ATOM 1509 CA VAL A 89 12.596 8.616 -5.665 1.00 71.04 C ATOM 1510 C VAL A 89 13.058 8.315 -4.241 1.00 12.53 C ATOM 1511 O VAL A 89 12.963 7.179 -3.776 1.00 21.22 O ATOM 1512 CB VAL A 89 11.084 8.923 -5.769 1.00 63.35 C ATOM 1513 CG1 VAL A 89 10.719 10.222 -5.037 1.00 13.52 C ATOM 1514 CG2 VAL A 89 10.623 9.058 -7.232 1.00 25.30 C ATOM 0 H VAL A 89 12.567 6.580 -6.123 1.00 54.34 H new ATOM 0 HA VAL A 89 13.109 9.516 -6.004 1.00 71.04 H new ATOM 0 HB VAL A 89 10.578 8.078 -5.302 1.00 63.35 H new ATOM 0 HG11 VAL A 89 9.649 10.405 -5.132 1.00 13.52 H new ATOM 0 HG12 VAL A 89 10.979 10.131 -3.982 1.00 13.52 H new ATOM 0 HG13 VAL A 89 11.269 11.054 -5.476 1.00 13.52 H new ATOM 0 HG21 VAL A 89 9.555 9.273 -7.258 1.00 25.30 H new ATOM 0 HG22 VAL A 89 11.169 9.870 -7.712 1.00 25.30 H new ATOM 0 HG23 VAL A 89 10.818 8.126 -7.763 1.00 25.30 H new ATOM 1524 N SER A 90 13.549 9.334 -3.543 1.00 70.33 N ATOM 1525 CA SER A 90 14.036 9.231 -2.180 1.00 21.32 C ATOM 1526 C SER A 90 12.926 8.921 -1.168 1.00 10.13 C ATOM 1527 O SER A 90 11.728 8.968 -1.477 1.00 73.02 O ATOM 1528 CB SER A 90 14.700 10.565 -1.839 1.00 41.14 C ATOM 1529 OG SER A 90 15.871 10.738 -2.608 1.00 53.11 O ATOM 0 H SER A 90 13.619 10.278 -3.924 1.00 70.33 H new ATOM 0 HA SER A 90 14.737 8.399 -2.117 1.00 21.32 H new ATOM 0 HB2 SER A 90 14.007 11.384 -2.030 1.00 41.14 H new ATOM 0 HB3 SER A 90 14.945 10.596 -0.777 1.00 41.14 H new ATOM 0 HG SER A 90 16.287 11.596 -2.382 1.00 53.11 H new ATOM 1535 N VAL A 91 13.329 8.652 0.076 1.00 34.43 N ATOM 1536 CA VAL A 91 12.418 8.356 1.181 1.00 3.50 C ATOM 1537 C VAL A 91 12.082 9.629 1.978 1.00 50.45 C ATOM 1538 O VAL A 91 11.077 9.672 2.685 1.00 32.14 O ATOM 1539 CB VAL A 91 12.989 7.232 2.074 1.00 54.51 C ATOM 1540 CG1 VAL A 91 13.266 5.959 1.256 1.00 51.22 C ATOM 1541 CG2 VAL A 91 14.262 7.631 2.835 1.00 65.33 C ATOM 0 H VAL A 91 14.312 8.634 0.347 1.00 34.43 H new ATOM 0 HA VAL A 91 11.478 7.989 0.768 1.00 3.50 H new ATOM 0 HB VAL A 91 12.215 7.039 2.817 1.00 54.51 H new ATOM 0 HG11 VAL A 91 13.667 5.186 1.911 1.00 51.22 H new ATOM 0 HG12 VAL A 91 12.338 5.607 0.805 1.00 51.22 H new ATOM 0 HG13 VAL A 91 13.989 6.181 0.471 1.00 51.22 H new ATOM 0 HG21 VAL A 91 14.603 6.791 3.440 1.00 65.33 H new ATOM 0 HG22 VAL A 91 15.041 7.905 2.123 1.00 65.33 H new ATOM 0 HG23 VAL A 91 14.047 8.481 3.483 1.00 65.33 H new ATOM 1551 N SER A 92 12.878 10.694 1.866 1.00 25.43 N ATOM 1552 CA SER A 92 12.647 11.941 2.589 1.00 21.43 C ATOM 1553 C SER A 92 11.456 12.745 2.026 1.00 64.42 C ATOM 1554 O SER A 92 10.942 13.639 2.701 1.00 42.41 O ATOM 1555 CB SER A 92 13.933 12.793 2.546 1.00 65.45 C ATOM 1556 OG SER A 92 15.123 12.043 2.291 1.00 71.43 O ATOM 0 H SER A 92 13.704 10.713 1.268 1.00 25.43 H new ATOM 0 HA SER A 92 12.392 11.687 3.618 1.00 21.43 H new ATOM 0 HB2 SER A 92 13.825 13.556 1.775 1.00 65.45 H new ATOM 0 HB3 SER A 92 14.042 13.315 3.497 1.00 65.45 H new ATOM 0 HG SER A 92 15.894 12.648 2.277 1.00 71.43 H new ATOM 1562 N THR A 93 11.022 12.420 0.811 1.00 51.34 N ATOM 1563 CA THR A 93 9.970 12.979 -0.023 1.00 3.12 C ATOM 1564 C THR A 93 8.548 12.621 0.459 1.00 21.22 C ATOM 1565 O THR A 93 8.364 11.596 1.129 1.00 34.23 O ATOM 1566 CB THR A 93 10.238 12.477 -1.471 1.00 65.14 C ATOM 1567 OG1 THR A 93 11.386 11.643 -1.581 1.00 44.52 O ATOM 1568 CG2 THR A 93 10.536 13.622 -2.444 1.00 32.01 C ATOM 0 H THR A 93 11.469 11.644 0.322 1.00 51.34 H new ATOM 0 HA THR A 93 10.000 14.067 0.029 1.00 3.12 H new ATOM 0 HB THR A 93 9.320 11.941 -1.713 1.00 65.14 H new ATOM 0 HG1 THR A 93 11.119 10.705 -1.490 1.00 44.52 H new ATOM 0 HG21 THR A 93 10.715 13.216 -3.440 1.00 32.01 H new ATOM 0 HG22 THR A 93 9.685 14.302 -2.477 1.00 32.01 H new ATOM 0 HG23 THR A 93 11.420 14.164 -2.108 1.00 32.01 H new ATOM 1576 N PRO A 94 7.525 13.423 0.105 1.00 52.41 N ATOM 1577 CA PRO A 94 6.145 13.207 0.498 1.00 13.12 C ATOM 1578 C PRO A 94 5.354 12.344 -0.493 1.00 44.25 C ATOM 1579 O PRO A 94 5.531 12.391 -1.724 1.00 21.40 O ATOM 1580 CB PRO A 94 5.566 14.609 0.617 1.00 13.32 C ATOM 1581 CG PRO A 94 6.237 15.328 -0.547 1.00 62.12 C ATOM 1582 CD PRO A 94 7.603 14.654 -0.665 1.00 11.31 C ATOM 0 HA PRO A 94 6.084 12.643 1.429 1.00 13.12 H new ATOM 0 HB2 PRO A 94 4.480 14.611 0.526 1.00 13.32 H new ATOM 0 HB3 PRO A 94 5.807 15.070 1.575 1.00 13.32 H new ATOM 0 HG2 PRO A 94 5.660 15.223 -1.466 1.00 62.12 H new ATOM 0 HG3 PRO A 94 6.335 16.396 -0.352 1.00 62.12 H new ATOM 0 HD2 PRO A 94 7.843 14.445 -1.707 1.00 11.31 H new ATOM 0 HD3 PRO A 94 8.390 15.303 -0.280 1.00 11.31 H new ATOM 1590 N ILE A 95 4.416 11.577 0.063 1.00 13.54 N ATOM 1591 CA ILE A 95 3.582 10.707 -0.745 1.00 72.25 C ATOM 1592 C ILE A 95 2.684 11.518 -1.691 1.00 53.32 C ATOM 1593 O ILE A 95 2.158 10.946 -2.644 1.00 54.53 O ATOM 1594 CB ILE A 95 2.859 9.653 0.115 1.00 52.34 C ATOM 1595 CG1 ILE A 95 2.378 8.501 -0.794 1.00 3.50 C ATOM 1596 CG2 ILE A 95 1.706 10.263 0.930 1.00 23.32 C ATOM 1597 CD1 ILE A 95 2.173 7.183 -0.045 1.00 2.31 C ATOM 0 H ILE A 95 4.220 11.545 1.064 1.00 13.54 H new ATOM 0 HA ILE A 95 4.218 10.119 -1.407 1.00 72.25 H new ATOM 0 HB ILE A 95 3.562 9.256 0.847 1.00 52.34 H new ATOM 0 HG12 ILE A 95 1.441 8.790 -1.269 1.00 3.50 H new ATOM 0 HG13 ILE A 95 3.106 8.348 -1.591 1.00 3.50 H new ATOM 0 HG21 ILE A 95 1.226 9.483 1.521 1.00 23.32 H new ATOM 0 HG22 ILE A 95 2.098 11.033 1.595 1.00 23.32 H new ATOM 0 HG23 ILE A 95 0.976 10.706 0.252 1.00 23.32 H new ATOM 0 HD11 ILE A 95 1.835 6.417 -0.743 1.00 2.31 H new ATOM 0 HD12 ILE A 95 3.114 6.872 0.408 1.00 2.31 H new ATOM 0 HD13 ILE A 95 1.423 7.320 0.734 1.00 2.31 H new ATOM 1609 N SER A 96 2.452 12.810 -1.409 1.00 74.33 N ATOM 1610 CA SER A 96 1.639 13.672 -2.249 1.00 41.44 C ATOM 1611 C SER A 96 2.258 13.710 -3.645 1.00 34.40 C ATOM 1612 O SER A 96 1.597 13.315 -4.602 1.00 4.31 O ATOM 1613 CB SER A 96 1.547 15.084 -1.654 1.00 53.45 C ATOM 1614 OG SER A 96 2.791 15.540 -1.140 1.00 2.31 O ATOM 0 H SER A 96 2.830 13.278 -0.585 1.00 74.33 H new ATOM 0 HA SER A 96 0.624 13.278 -2.307 1.00 41.44 H new ATOM 0 HB2 SER A 96 1.199 15.776 -2.421 1.00 53.45 H new ATOM 0 HB3 SER A 96 0.804 15.091 -0.857 1.00 53.45 H new ATOM 0 HG SER A 96 2.683 16.443 -0.774 1.00 2.31 H new ATOM 1620 N GLU A 97 3.516 14.154 -3.765 1.00 63.31 N ATOM 1621 CA GLU A 97 4.163 14.214 -5.066 1.00 25.32 C ATOM 1622 C GLU A 97 4.401 12.801 -5.590 1.00 10.53 C ATOM 1623 O GLU A 97 4.269 12.610 -6.800 1.00 41.23 O ATOM 1624 CB GLU A 97 5.400 15.118 -5.093 1.00 5.30 C ATOM 1625 CG GLU A 97 6.623 14.571 -4.356 1.00 45.55 C ATOM 1626 CD GLU A 97 7.691 15.656 -4.197 1.00 21.11 C ATOM 1627 OE1 GLU A 97 7.504 16.538 -3.332 1.00 3.34 O ATOM 1628 OE2 GLU A 97 8.718 15.623 -4.918 1.00 11.22 O ATOM 0 H GLU A 97 4.092 14.471 -2.985 1.00 63.31 H new ATOM 0 HA GLU A 97 3.486 14.707 -5.763 1.00 25.32 H new ATOM 0 HB2 GLU A 97 5.674 15.301 -6.132 1.00 5.30 H new ATOM 0 HB3 GLU A 97 5.135 16.082 -4.659 1.00 5.30 H new ATOM 0 HG2 GLU A 97 6.326 14.200 -3.375 1.00 45.55 H new ATOM 0 HG3 GLU A 97 7.036 13.725 -4.905 1.00 45.55 H new ATOM 1635 N VAL A 98 4.702 11.808 -4.726 1.00 52.34 N ATOM 1636 CA VAL A 98 4.889 10.447 -5.257 1.00 5.41 C ATOM 1637 C VAL A 98 3.596 10.008 -5.979 1.00 54.55 C ATOM 1638 O VAL A 98 3.669 9.451 -7.080 1.00 73.31 O ATOM 1639 CB VAL A 98 5.356 9.468 -4.159 1.00 73.42 C ATOM 1640 CG1 VAL A 98 5.475 8.020 -4.661 1.00 72.32 C ATOM 1641 CG2 VAL A 98 6.741 9.864 -3.618 1.00 41.34 C ATOM 0 H VAL A 98 4.815 11.913 -3.718 1.00 52.34 H new ATOM 0 HA VAL A 98 5.694 10.440 -5.992 1.00 5.41 H new ATOM 0 HB VAL A 98 4.593 9.525 -3.383 1.00 73.42 H new ATOM 0 HG11 VAL A 98 5.807 7.378 -3.845 1.00 72.32 H new ATOM 0 HG12 VAL A 98 4.504 7.678 -5.019 1.00 72.32 H new ATOM 0 HG13 VAL A 98 6.198 7.975 -5.475 1.00 72.32 H new ATOM 0 HG21 VAL A 98 7.046 9.158 -2.846 1.00 41.34 H new ATOM 0 HG22 VAL A 98 7.467 9.849 -4.431 1.00 41.34 H new ATOM 0 HG23 VAL A 98 6.693 10.867 -3.194 1.00 41.34 H new ATOM 1651 N TYR A 99 2.420 10.297 -5.400 1.00 63.23 N ATOM 1652 CA TYR A 99 1.129 9.957 -5.981 1.00 41.35 C ATOM 1653 C TYR A 99 0.982 10.627 -7.330 1.00 23.33 C ATOM 1654 O TYR A 99 0.895 9.933 -8.332 1.00 74.35 O ATOM 1655 CB TYR A 99 -0.039 10.430 -5.094 1.00 45.53 C ATOM 1656 CG TYR A 99 -1.402 10.448 -5.793 1.00 2.51 C ATOM 1657 CD1 TYR A 99 -1.966 9.268 -6.317 1.00 43.54 C ATOM 1658 CD2 TYR A 99 -2.048 11.679 -6.039 1.00 52.33 C ATOM 1659 CE1 TYR A 99 -3.117 9.327 -7.128 1.00 51.33 C ATOM 1660 CE2 TYR A 99 -3.195 11.741 -6.855 1.00 24.33 C ATOM 1661 CZ TYR A 99 -3.710 10.566 -7.445 1.00 41.34 C ATOM 1662 OH TYR A 99 -4.769 10.630 -8.305 1.00 2.31 O ATOM 0 H TYR A 99 2.347 10.779 -4.504 1.00 63.23 H new ATOM 0 HA TYR A 99 1.094 8.871 -6.073 1.00 41.35 H new ATOM 0 HB2 TYR A 99 -0.101 9.781 -4.221 1.00 45.53 H new ATOM 0 HB3 TYR A 99 0.181 11.433 -4.730 1.00 45.53 H new ATOM 0 HD1 TYR A 99 -1.514 8.313 -6.096 1.00 43.54 H new ATOM 0 HD2 TYR A 99 -1.658 12.584 -5.596 1.00 52.33 H new ATOM 0 HE1 TYR A 99 -3.549 8.414 -7.510 1.00 51.33 H new ATOM 0 HE2 TYR A 99 -3.681 12.689 -7.030 1.00 24.33 H new ATOM 0 HH TYR A 99 -5.051 11.563 -8.407 1.00 2.31 H new ATOM 1672 N GLU A 100 0.997 11.958 -7.381 1.00 54.31 N ATOM 1673 CA GLU A 100 0.810 12.640 -8.653 1.00 65.02 C ATOM 1674 C GLU A 100 1.898 12.350 -9.692 1.00 33.13 C ATOM 1675 O GLU A 100 1.662 12.640 -10.863 1.00 72.45 O ATOM 1676 CB GLU A 100 0.507 14.131 -8.469 1.00 65.31 C ATOM 1677 CG GLU A 100 1.551 14.843 -7.615 1.00 64.12 C ATOM 1678 CD GLU A 100 1.372 16.359 -7.490 1.00 52.43 C ATOM 1679 OE1 GLU A 100 0.587 16.988 -8.242 1.00 43.33 O ATOM 1680 OE2 GLU A 100 1.943 16.938 -6.536 1.00 3.20 O ATOM 0 H GLU A 100 1.133 12.570 -6.576 1.00 54.31 H new ATOM 0 HA GLU A 100 -0.085 12.200 -9.094 1.00 65.02 H new ATOM 0 HB2 GLU A 100 0.455 14.610 -9.447 1.00 65.31 H new ATOM 0 HB3 GLU A 100 -0.473 14.244 -8.006 1.00 65.31 H new ATOM 0 HG2 GLU A 100 1.536 14.408 -6.615 1.00 64.12 H new ATOM 0 HG3 GLU A 100 2.537 14.644 -8.035 1.00 64.12 H new ATOM 1687 N SER A 101 3.037 11.760 -9.319 1.00 25.40 N ATOM 1688 CA SER A 101 4.097 11.439 -10.268 1.00 31.40 C ATOM 1689 C SER A 101 4.018 10.001 -10.806 1.00 33.11 C ATOM 1690 O SER A 101 4.476 9.751 -11.926 1.00 32.32 O ATOM 1691 CB SER A 101 5.459 11.624 -9.595 1.00 31.01 C ATOM 1692 OG SER A 101 5.600 12.918 -9.028 1.00 22.20 O ATOM 0 H SER A 101 3.246 11.494 -8.357 1.00 25.40 H new ATOM 0 HA SER A 101 3.970 12.117 -11.112 1.00 31.40 H new ATOM 0 HB2 SER A 101 5.584 10.871 -8.817 1.00 31.01 H new ATOM 0 HB3 SER A 101 6.250 11.460 -10.327 1.00 31.01 H new ATOM 0 HG SER A 101 5.149 12.945 -8.158 1.00 22.20 H new ATOM 1698 N GLU A 102 3.409 9.068 -10.068 1.00 34.32 N ATOM 1699 CA GLU A 102 3.307 7.653 -10.454 1.00 14.41 C ATOM 1700 C GLU A 102 1.866 7.137 -10.540 1.00 25.21 C ATOM 1701 O GLU A 102 1.648 5.959 -10.836 1.00 50.15 O ATOM 1702 CB GLU A 102 4.109 6.837 -9.422 1.00 73.43 C ATOM 1703 CG GLU A 102 5.609 7.187 -9.421 1.00 13.13 C ATOM 1704 CD GLU A 102 6.391 6.636 -10.613 1.00 43.11 C ATOM 1705 OE1 GLU A 102 5.822 5.924 -11.469 1.00 62.31 O ATOM 1706 OE2 GLU A 102 7.607 6.935 -10.667 1.00 23.02 O ATOM 0 H GLU A 102 2.966 9.275 -9.173 1.00 34.32 H new ATOM 0 HA GLU A 102 3.709 7.542 -11.461 1.00 14.41 H new ATOM 0 HB2 GLU A 102 3.699 7.013 -8.428 1.00 73.43 H new ATOM 0 HB3 GLU A 102 3.989 5.774 -9.633 1.00 73.43 H new ATOM 0 HG2 GLU A 102 5.716 8.272 -9.403 1.00 13.13 H new ATOM 0 HG3 GLU A 102 6.057 6.807 -8.503 1.00 13.13 H new ATOM 1713 N LYS A 103 0.882 8.005 -10.326 1.00 70.32 N ATOM 1714 CA LYS A 103 -0.540 7.680 -10.332 1.00 74.52 C ATOM 1715 C LYS A 103 -1.028 6.907 -11.545 1.00 33.42 C ATOM 1716 O LYS A 103 -0.799 7.316 -12.685 1.00 2.20 O ATOM 1717 CB LYS A 103 -1.410 8.935 -10.122 1.00 65.13 C ATOM 1718 CG LYS A 103 -1.024 10.144 -10.994 1.00 45.04 C ATOM 1719 CD LYS A 103 -1.844 11.404 -10.669 1.00 31.54 C ATOM 1720 CE LYS A 103 -3.203 11.511 -11.340 1.00 22.52 C ATOM 1721 NZ LYS A 103 -3.131 11.355 -12.803 1.00 72.14 N ATOM 0 H LYS A 103 1.060 8.991 -10.137 1.00 70.32 H new ATOM 0 HA LYS A 103 -0.655 7.002 -9.486 1.00 74.52 H new ATOM 0 HB2 LYS A 103 -2.450 8.677 -10.324 1.00 65.13 H new ATOM 0 HB3 LYS A 103 -1.352 9.228 -9.074 1.00 65.13 H new ATOM 0 HG2 LYS A 103 0.035 10.361 -10.857 1.00 45.04 H new ATOM 0 HG3 LYS A 103 -1.163 9.887 -12.044 1.00 45.04 H new ATOM 0 HD2 LYS A 103 -1.990 11.449 -9.590 1.00 31.54 H new ATOM 0 HD3 LYS A 103 -1.255 12.278 -10.947 1.00 31.54 H new ATOM 0 HE2 LYS A 103 -3.866 10.749 -10.930 1.00 22.52 H new ATOM 0 HE3 LYS A 103 -3.645 12.479 -11.104 1.00 22.52 H new ATOM 0 HZ1 LYS A 103 -3.999 11.730 -13.235 1.00 72.14 H new ATOM 0 HZ2 LYS A 103 -2.309 11.877 -13.168 1.00 72.14 H new ATOM 0 HZ3 LYS A 103 -3.034 10.347 -13.040 1.00 72.14 H new ATOM 1735 N ASP A 104 -1.746 5.809 -11.306 1.00 70.45 N ATOM 1736 CA ASP A 104 -2.307 5.009 -12.383 1.00 51.34 C ATOM 1737 C ASP A 104 -3.554 5.717 -12.894 1.00 54.33 C ATOM 1738 O ASP A 104 -4.052 6.667 -12.270 1.00 61.25 O ATOM 1739 CB ASP A 104 -2.787 3.639 -11.884 1.00 50.01 C ATOM 1740 CG ASP A 104 -3.004 2.699 -13.063 1.00 43.32 C ATOM 1741 OD1 ASP A 104 -2.025 2.404 -13.785 1.00 51.14 O ATOM 1742 OD2 ASP A 104 -4.163 2.301 -13.315 1.00 31.44 O ATOM 0 H ASP A 104 -1.950 5.457 -10.371 1.00 70.45 H new ATOM 0 HA ASP A 104 -1.533 4.882 -13.140 1.00 51.34 H new ATOM 0 HB2 ASP A 104 -2.052 3.214 -11.201 1.00 50.01 H new ATOM 0 HB3 ASP A 104 -3.715 3.752 -11.323 1.00 50.01 H new ATOM 1747 N GLU A 105 -4.063 5.303 -14.049 1.00 50.01 N ATOM 1748 CA GLU A 105 -5.286 5.865 -14.586 1.00 1.23 C ATOM 1749 C GLU A 105 -6.440 5.505 -13.643 1.00 43.05 C ATOM 1750 O GLU A 105 -7.396 6.280 -13.562 1.00 3.24 O ATOM 1751 CB GLU A 105 -5.521 5.416 -16.034 1.00 3.34 C ATOM 1752 CG GLU A 105 -5.601 3.901 -16.286 1.00 43.25 C ATOM 1753 CD GLU A 105 -6.995 3.273 -16.170 1.00 70.52 C ATOM 1754 OE1 GLU A 105 -7.980 3.940 -15.773 1.00 50.23 O ATOM 1755 OE2 GLU A 105 -7.120 2.116 -16.627 1.00 64.53 O ATOM 0 H GLU A 105 -3.642 4.577 -14.629 1.00 50.01 H new ATOM 0 HA GLU A 105 -5.213 6.951 -14.636 1.00 1.23 H new ATOM 0 HB2 GLU A 105 -6.449 5.868 -16.383 1.00 3.34 H new ATOM 0 HB3 GLU A 105 -4.718 5.821 -16.650 1.00 3.34 H new ATOM 0 HG2 GLU A 105 -5.215 3.698 -17.285 1.00 43.25 H new ATOM 0 HG3 GLU A 105 -4.939 3.400 -15.580 1.00 43.25 H new ATOM 1762 N ASP A 106 -6.369 4.375 -12.914 1.00 73.13 N ATOM 1763 CA ASP A 106 -7.471 4.016 -12.008 1.00 14.04 C ATOM 1764 C ASP A 106 -7.355 4.788 -10.686 1.00 22.52 C ATOM 1765 O ASP A 106 -8.348 4.977 -9.985 1.00 65.32 O ATOM 1766 CB ASP A 106 -7.656 2.500 -11.831 1.00 14.01 C ATOM 1767 CG ASP A 106 -6.710 1.794 -10.864 1.00 42.43 C ATOM 1768 OD1 ASP A 106 -5.779 2.406 -10.313 1.00 32.24 O ATOM 1769 OD2 ASP A 106 -6.836 0.551 -10.739 1.00 54.21 O ATOM 0 H ASP A 106 -5.589 3.717 -12.933 1.00 73.13 H new ATOM 0 HA ASP A 106 -8.400 4.331 -12.483 1.00 14.04 H new ATOM 0 HB2 ASP A 106 -8.678 2.320 -11.497 1.00 14.01 H new ATOM 0 HB3 ASP A 106 -7.553 2.030 -12.809 1.00 14.01 H new ATOM 1774 N GLY A 107 -6.166 5.326 -10.402 1.00 45.35 N ATOM 1775 CA GLY A 107 -5.790 6.117 -9.243 1.00 33.24 C ATOM 1776 C GLY A 107 -5.147 5.347 -8.093 1.00 10.30 C ATOM 1777 O GLY A 107 -4.775 5.992 -7.106 1.00 62.33 O ATOM 0 H GLY A 107 -5.378 5.204 -11.038 1.00 45.35 H new ATOM 0 HA2 GLY A 107 -5.098 6.894 -9.566 1.00 33.24 H new ATOM 0 HA3 GLY A 107 -6.680 6.620 -8.866 1.00 33.24 H new ATOM 1781 N PHE A 108 -5.006 4.022 -8.149 1.00 5.40 N ATOM 1782 CA PHE A 108 -4.344 3.279 -7.080 1.00 41.31 C ATOM 1783 C PHE A 108 -2.850 3.565 -7.216 1.00 52.25 C ATOM 1784 O PHE A 108 -2.331 3.582 -8.333 1.00 11.44 O ATOM 1785 CB PHE A 108 -4.597 1.772 -7.203 1.00 32.31 C ATOM 1786 CG PHE A 108 -5.832 1.304 -6.465 1.00 5.33 C ATOM 1787 CD1 PHE A 108 -5.887 1.425 -5.065 1.00 24.33 C ATOM 1788 CD2 PHE A 108 -6.925 0.758 -7.158 1.00 53.21 C ATOM 1789 CE1 PHE A 108 -7.031 1.009 -4.368 1.00 73.04 C ATOM 1790 CE2 PHE A 108 -8.062 0.326 -6.456 1.00 72.14 C ATOM 1791 CZ PHE A 108 -8.127 0.474 -5.062 1.00 72.02 C ATOM 0 H PHE A 108 -5.340 3.445 -8.921 1.00 5.40 H new ATOM 0 HA PHE A 108 -4.732 3.588 -6.109 1.00 41.31 H new ATOM 0 HB2 PHE A 108 -4.694 1.513 -8.257 1.00 32.31 H new ATOM 0 HB3 PHE A 108 -3.730 1.234 -6.821 1.00 32.31 H new ATOM 0 HD1 PHE A 108 -5.048 1.839 -4.526 1.00 24.33 H new ATOM 0 HD2 PHE A 108 -6.891 0.670 -8.234 1.00 53.21 H new ATOM 0 HE1 PHE A 108 -7.068 1.101 -3.293 1.00 73.04 H new ATOM 0 HE2 PHE A 108 -8.888 -0.121 -6.990 1.00 72.14 H new ATOM 0 HZ PHE A 108 -9.016 0.178 -4.526 1.00 72.02 H new ATOM 1801 N LEU A 109 -2.144 3.853 -6.120 1.00 31.30 N ATOM 1802 CA LEU A 109 -0.707 4.131 -6.183 1.00 45.14 C ATOM 1803 C LEU A 109 0.023 2.799 -6.027 1.00 34.04 C ATOM 1804 O LEU A 109 -0.056 2.207 -4.956 1.00 34.14 O ATOM 1805 CB LEU A 109 -0.343 5.162 -5.105 1.00 45.11 C ATOM 1806 CG LEU A 109 0.944 5.921 -5.422 1.00 25.11 C ATOM 1807 CD1 LEU A 109 1.308 6.851 -4.263 1.00 30.44 C ATOM 1808 CD2 LEU A 109 2.173 5.082 -5.785 1.00 72.04 C ATOM 0 H LEU A 109 -2.542 3.900 -5.182 1.00 31.30 H new ATOM 0 HA LEU A 109 -0.408 4.570 -7.135 1.00 45.14 H new ATOM 0 HB2 LEU A 109 -1.162 5.873 -4.998 1.00 45.11 H new ATOM 0 HB3 LEU A 109 -0.234 4.655 -4.146 1.00 45.11 H new ATOM 0 HG LEU A 109 0.697 6.467 -6.332 1.00 25.11 H new ATOM 0 HD11 LEU A 109 2.227 7.386 -4.501 1.00 30.44 H new ATOM 0 HD12 LEU A 109 0.502 7.567 -4.104 1.00 30.44 H new ATOM 0 HD13 LEU A 109 1.455 6.263 -3.357 1.00 30.44 H new ATOM 0 HD21 LEU A 109 3.017 5.741 -5.987 1.00 72.04 H new ATOM 0 HD22 LEU A 109 2.420 4.420 -4.955 1.00 72.04 H new ATOM 0 HD23 LEU A 109 1.958 4.486 -6.672 1.00 72.04 H new ATOM 1820 N TYR A 110 0.694 2.287 -7.055 1.00 71.41 N ATOM 1821 CA TYR A 110 1.387 1.005 -6.980 1.00 21.02 C ATOM 1822 C TYR A 110 2.809 1.100 -6.412 1.00 11.21 C ATOM 1823 O TYR A 110 3.672 1.758 -6.992 1.00 42.54 O ATOM 1824 CB TYR A 110 1.480 0.398 -8.386 1.00 61.45 C ATOM 1825 CG TYR A 110 0.202 -0.170 -8.978 1.00 5.50 C ATOM 1826 CD1 TYR A 110 -0.875 0.673 -9.317 1.00 63.13 C ATOM 1827 CD2 TYR A 110 0.133 -1.542 -9.287 1.00 62.12 C ATOM 1828 CE1 TYR A 110 -2.010 0.159 -9.964 1.00 50.42 C ATOM 1829 CE2 TYR A 110 -1.007 -2.070 -9.913 1.00 44.04 C ATOM 1830 CZ TYR A 110 -2.066 -1.214 -10.282 1.00 44.01 C ATOM 1831 OH TYR A 110 -3.113 -1.723 -10.976 1.00 34.21 O ATOM 0 H TYR A 110 0.772 2.748 -7.961 1.00 71.41 H new ATOM 0 HA TYR A 110 0.803 0.385 -6.300 1.00 21.02 H new ATOM 0 HB2 TYR A 110 1.854 1.166 -9.063 1.00 61.45 H new ATOM 0 HB3 TYR A 110 2.225 -0.397 -8.363 1.00 61.45 H new ATOM 0 HD1 TYR A 110 -0.827 1.725 -9.077 1.00 63.13 H new ATOM 0 HD2 TYR A 110 0.961 -2.191 -9.041 1.00 62.12 H new ATOM 0 HE1 TYR A 110 -2.834 0.810 -10.216 1.00 50.42 H new ATOM 0 HE2 TYR A 110 -1.073 -3.129 -10.112 1.00 44.04 H new ATOM 0 HH TYR A 110 -2.983 -2.686 -11.105 1.00 34.21 H new ATOM 1841 N MET A 111 3.105 0.358 -5.340 1.00 51.44 N ATOM 1842 CA MET A 111 4.419 0.312 -4.702 1.00 43.34 C ATOM 1843 C MET A 111 4.756 -1.133 -4.343 1.00 64.41 C ATOM 1844 O MET A 111 3.873 -1.955 -4.079 1.00 64.02 O ATOM 1845 CB MET A 111 4.470 1.166 -3.430 1.00 65.05 C ATOM 1846 CG MET A 111 3.988 2.599 -3.641 1.00 71.35 C ATOM 1847 SD MET A 111 4.425 3.790 -2.346 1.00 31.14 S ATOM 1848 CE MET A 111 4.243 2.812 -0.826 1.00 43.43 C ATOM 0 H MET A 111 2.418 -0.241 -4.883 1.00 51.44 H new ATOM 0 HA MET A 111 5.145 0.715 -5.409 1.00 43.34 H new ATOM 0 HB2 MET A 111 3.859 0.695 -2.660 1.00 65.05 H new ATOM 0 HB3 MET A 111 5.494 1.186 -3.056 1.00 65.05 H new ATOM 0 HG2 MET A 111 4.390 2.960 -4.588 1.00 71.35 H new ATOM 0 HG3 MET A 111 2.903 2.584 -3.741 1.00 71.35 H new ATOM 0 HE1 MET A 111 4.432 3.447 0.040 1.00 43.43 H new ATOM 0 HE2 MET A 111 3.230 2.413 -0.769 1.00 43.43 H new ATOM 0 HE3 MET A 111 4.958 1.989 -0.835 1.00 43.43 H new ATOM 1858 N VAL A 112 6.045 -1.455 -4.297 1.00 32.43 N ATOM 1859 CA VAL A 112 6.559 -2.783 -3.965 1.00 42.42 C ATOM 1860 C VAL A 112 7.760 -2.649 -3.023 1.00 12.14 C ATOM 1861 O VAL A 112 8.370 -1.581 -2.993 1.00 73.03 O ATOM 1862 CB VAL A 112 6.901 -3.589 -5.242 1.00 53.24 C ATOM 1863 CG1 VAL A 112 5.716 -4.451 -5.694 1.00 52.43 C ATOM 1864 CG2 VAL A 112 7.328 -2.701 -6.419 1.00 51.41 C ATOM 0 H VAL A 112 6.784 -0.780 -4.495 1.00 32.43 H new ATOM 0 HA VAL A 112 5.784 -3.347 -3.446 1.00 42.42 H new ATOM 0 HB VAL A 112 7.744 -4.221 -4.963 1.00 53.24 H new ATOM 0 HG11 VAL A 112 5.990 -5.004 -6.593 1.00 52.43 H new ATOM 0 HG12 VAL A 112 5.454 -5.153 -4.902 1.00 52.43 H new ATOM 0 HG13 VAL A 112 4.861 -3.810 -5.909 1.00 52.43 H new ATOM 0 HG21 VAL A 112 7.554 -3.326 -7.283 1.00 51.41 H new ATOM 0 HG22 VAL A 112 6.519 -2.015 -6.669 1.00 51.41 H new ATOM 0 HG23 VAL A 112 8.215 -2.131 -6.142 1.00 51.41 H new ATOM 1874 N TYR A 113 8.076 -3.673 -2.224 1.00 50.25 N ATOM 1875 CA TYR A 113 9.230 -3.646 -1.312 1.00 44.32 C ATOM 1876 C TYR A 113 10.042 -4.943 -1.387 1.00 74.14 C ATOM 1877 O TYR A 113 9.473 -5.980 -1.745 1.00 1.41 O ATOM 1878 CB TYR A 113 8.775 -3.374 0.127 1.00 13.41 C ATOM 1879 CG TYR A 113 7.988 -4.506 0.761 1.00 14.52 C ATOM 1880 CD1 TYR A 113 6.590 -4.565 0.609 1.00 41.21 C ATOM 1881 CD2 TYR A 113 8.653 -5.517 1.482 1.00 22.10 C ATOM 1882 CE1 TYR A 113 5.863 -5.618 1.189 1.00 14.52 C ATOM 1883 CE2 TYR A 113 7.931 -6.567 2.074 1.00 52.14 C ATOM 1884 CZ TYR A 113 6.527 -6.610 1.943 1.00 4.21 C ATOM 1885 OH TYR A 113 5.805 -7.593 2.541 1.00 65.22 O ATOM 0 H TYR A 113 7.543 -4.542 -2.189 1.00 50.25 H new ATOM 0 HA TYR A 113 9.882 -2.833 -1.631 1.00 44.32 H new ATOM 0 HB2 TYR A 113 9.653 -3.170 0.740 1.00 13.41 H new ATOM 0 HB3 TYR A 113 8.163 -2.472 0.137 1.00 13.41 H new ATOM 0 HD1 TYR A 113 6.076 -3.800 0.046 1.00 41.21 H new ATOM 0 HD2 TYR A 113 9.728 -5.485 1.581 1.00 22.10 H new ATOM 0 HE1 TYR A 113 4.792 -5.669 1.058 1.00 14.52 H new ATOM 0 HE2 TYR A 113 8.448 -7.337 2.627 1.00 52.14 H new ATOM 0 HH TYR A 113 6.409 -8.197 3.021 1.00 65.22 H new ATOM 1895 N ALA A 114 11.352 -4.867 -1.106 1.00 72.02 N ATOM 1896 CA ALA A 114 12.280 -6.002 -1.095 1.00 30.33 C ATOM 1897 C ALA A 114 13.583 -5.647 -0.383 1.00 45.35 C ATOM 1898 O ALA A 114 13.857 -4.472 -0.125 1.00 53.41 O ATOM 1899 CB ALA A 114 12.648 -6.390 -2.532 1.00 54.24 C ATOM 0 H ALA A 114 11.806 -3.984 -0.873 1.00 72.02 H new ATOM 0 HA ALA A 114 11.780 -6.820 -0.576 1.00 30.33 H new ATOM 0 HB1 ALA A 114 13.338 -7.234 -2.516 1.00 54.24 H new ATOM 0 HB2 ALA A 114 11.746 -6.669 -3.076 1.00 54.24 H new ATOM 0 HB3 ALA A 114 13.123 -5.543 -3.027 1.00 54.24 H new ATOM 1905 N SER A 115 14.437 -6.644 -0.147 1.00 41.42 N ATOM 1906 CA SER A 115 15.742 -6.454 0.465 1.00 11.14 C ATOM 1907 C SER A 115 16.764 -6.668 -0.661 1.00 24.00 C ATOM 1908 O SER A 115 17.420 -7.705 -0.770 1.00 30.33 O ATOM 1909 CB SER A 115 15.886 -7.402 1.660 1.00 34.43 C ATOM 1910 OG SER A 115 17.028 -7.125 2.442 1.00 24.22 O ATOM 0 H SER A 115 14.234 -7.616 -0.380 1.00 41.42 H new ATOM 0 HA SER A 115 15.897 -5.460 0.884 1.00 11.14 H new ATOM 0 HB2 SER A 115 14.996 -7.329 2.285 1.00 34.43 H new ATOM 0 HB3 SER A 115 15.939 -8.429 1.299 1.00 34.43 H new ATOM 0 HG SER A 115 16.944 -6.233 2.839 1.00 24.22 H new ATOM 1916 N GLN A 116 16.908 -5.646 -1.505 1.00 54.15 N ATOM 1917 CA GLN A 116 17.796 -5.541 -2.658 1.00 33.20 C ATOM 1918 C GLN A 116 17.713 -4.067 -3.054 1.00 70.33 C ATOM 1919 O GLN A 116 16.605 -3.527 -3.054 1.00 65.04 O ATOM 1920 CB GLN A 116 17.303 -6.433 -3.830 1.00 42.52 C ATOM 1921 CG GLN A 116 18.306 -7.542 -4.185 1.00 64.04 C ATOM 1922 CD GLN A 116 17.813 -8.462 -5.307 1.00 22.22 C ATOM 1923 OE1 GLN A 116 18.352 -8.477 -6.411 1.00 24.22 O ATOM 1924 NE2 GLN A 116 16.786 -9.264 -5.074 1.00 72.43 N ATOM 0 H GLN A 116 16.356 -4.796 -1.387 1.00 54.15 H new ATOM 0 HA GLN A 116 18.809 -5.870 -2.427 1.00 33.20 H new ATOM 0 HB2 GLN A 116 16.347 -6.883 -3.563 1.00 42.52 H new ATOM 0 HB3 GLN A 116 17.128 -5.811 -4.708 1.00 42.52 H new ATOM 0 HG2 GLN A 116 19.250 -7.087 -4.485 1.00 64.04 H new ATOM 0 HG3 GLN A 116 18.508 -8.139 -3.296 1.00 64.04 H new ATOM 0 HE21 GLN A 116 16.332 -9.259 -4.161 1.00 72.43 H new ATOM 0 HE22 GLN A 116 16.449 -9.887 -5.808 1.00 72.43 H new ATOM 1933 N GLU A 117 18.834 -3.404 -3.346 1.00 13.34 N ATOM 1934 CA GLU A 117 18.783 -1.997 -3.749 1.00 1.31 C ATOM 1935 C GLU A 117 18.301 -1.912 -5.199 1.00 34.44 C ATOM 1936 O GLU A 117 17.573 -0.985 -5.550 1.00 44.15 O ATOM 1937 CB GLU A 117 20.154 -1.343 -3.580 1.00 63.02 C ATOM 1938 CG GLU A 117 20.091 0.180 -3.778 1.00 65.32 C ATOM 1939 CD GLU A 117 21.464 0.826 -3.558 1.00 22.34 C ATOM 1940 OE1 GLU A 117 22.467 0.350 -4.145 1.00 73.32 O ATOM 1941 OE2 GLU A 117 21.554 1.833 -2.820 1.00 43.13 O ATOM 0 H GLU A 117 19.770 -3.808 -3.312 1.00 13.34 H new ATOM 0 HA GLU A 117 18.083 -1.456 -3.112 1.00 1.31 H new ATOM 0 HB2 GLU A 117 20.542 -1.564 -2.585 1.00 63.02 H new ATOM 0 HB3 GLU A 117 20.853 -1.774 -4.297 1.00 63.02 H new ATOM 0 HG2 GLU A 117 19.738 0.404 -4.785 1.00 65.32 H new ATOM 0 HG3 GLU A 117 19.369 0.610 -3.084 1.00 65.32 H new ATOM 1948 N THR A 118 18.722 -2.863 -6.030 1.00 3.30 N ATOM 1949 CA THR A 118 18.371 -3.003 -7.427 1.00 1.24 C ATOM 1950 C THR A 118 18.222 -4.507 -7.678 1.00 13.51 C ATOM 1951 O THR A 118 18.913 -5.311 -7.037 1.00 23.14 O ATOM 1952 CB THR A 118 19.406 -2.323 -8.341 1.00 32.10 C ATOM 1953 OG1 THR A 118 20.762 -2.546 -7.984 1.00 4.50 O ATOM 1954 CG2 THR A 118 19.197 -0.807 -8.376 1.00 2.32 C ATOM 0 H THR A 118 19.357 -3.598 -5.719 1.00 3.30 H new ATOM 0 HA THR A 118 17.436 -2.496 -7.665 1.00 1.24 H new ATOM 0 HB THR A 118 19.233 -2.786 -9.313 1.00 32.10 H new ATOM 0 HG1 THR A 118 21.348 -2.080 -8.617 1.00 4.50 H new ATOM 0 HG21 THR A 118 19.942 -0.352 -9.029 1.00 2.32 H new ATOM 0 HG22 THR A 118 18.199 -0.586 -8.754 1.00 2.32 H new ATOM 0 HG23 THR A 118 19.301 -0.402 -7.369 1.00 2.32 H new ATOM 1962 N PHE A 119 17.307 -4.885 -8.574 1.00 42.32 N ATOM 1963 CA PHE A 119 17.038 -6.274 -8.917 1.00 3.40 C ATOM 1964 C PHE A 119 18.027 -6.781 -9.951 1.00 34.20 C ATOM 1965 O PHE A 119 17.772 -7.872 -10.511 1.00 62.33 O ATOM 1966 CB PHE A 119 15.586 -6.413 -9.403 1.00 63.35 C ATOM 1967 CG PHE A 119 14.535 -6.101 -8.360 1.00 73.13 C ATOM 1968 CD1 PHE A 119 14.614 -6.684 -7.080 1.00 73.03 C ATOM 1969 CD2 PHE A 119 13.458 -5.249 -8.673 1.00 25.10 C ATOM 1970 CE1 PHE A 119 13.634 -6.404 -6.116 1.00 5.41 C ATOM 1971 CE2 PHE A 119 12.440 -5.033 -7.731 1.00 32.23 C ATOM 1972 CZ PHE A 119 12.537 -5.594 -6.446 1.00 53.11 C ATOM 0 H PHE A 119 16.726 -4.221 -9.086 1.00 42.32 H new ATOM 0 HA PHE A 119 17.164 -6.892 -8.028 1.00 3.40 H new ATOM 0 HB2 PHE A 119 15.438 -5.751 -10.256 1.00 63.35 H new ATOM 0 HB3 PHE A 119 15.433 -7.432 -9.759 1.00 63.35 H new ATOM 0 HD1 PHE A 119 15.431 -7.348 -6.840 1.00 73.03 H new ATOM 0 HD2 PHE A 119 13.415 -4.763 -9.636 1.00 25.10 H new ATOM 0 HE1 PHE A 119 13.724 -6.812 -5.120 1.00 5.41 H new ATOM 0 HE2 PHE A 119 11.580 -4.434 -7.994 1.00 32.23 H new ATOM 0 HZ PHE A 119 11.768 -5.402 -5.713 1.00 53.11 H new ATOM 2101 N PHE B 178 -8.603 -2.159 3.250 1.00 50.11 N ATOM 2102 CA PHE B 178 -7.709 -1.034 3.407 1.00 45.31 C ATOM 2103 C PHE B 178 -7.300 -0.810 4.857 1.00 21.01 C ATOM 2104 O PHE B 178 -8.132 -0.910 5.762 1.00 54.25 O ATOM 2105 CB PHE B 178 -8.500 0.200 2.954 1.00 70.11 C ATOM 2106 CG PHE B 178 -8.738 0.313 1.462 1.00 34.40 C ATOM 2107 CD1 PHE B 178 -7.804 0.999 0.670 1.00 2.23 C ATOM 2108 CD2 PHE B 178 -9.897 -0.222 0.863 1.00 52.12 C ATOM 2109 CE1 PHE B 178 -8.027 1.176 -0.700 1.00 43.52 C ATOM 2110 CE2 PHE B 178 -10.112 -0.065 -0.519 1.00 64.02 C ATOM 2111 CZ PHE B 178 -9.180 0.642 -1.300 1.00 64.25 C ATOM 0 HA PHE B 178 -6.801 -1.216 2.832 1.00 45.31 H new ATOM 0 HB2 PHE B 178 -9.466 0.196 3.459 1.00 70.11 H new ATOM 0 HB3 PHE B 178 -7.970 1.092 3.288 1.00 70.11 H new ATOM 0 HD1 PHE B 178 -6.906 1.393 1.122 1.00 2.23 H new ATOM 0 HD2 PHE B 178 -10.620 -0.752 1.465 1.00 52.12 H new ATOM 0 HE1 PHE B 178 -7.312 1.723 -1.297 1.00 43.52 H new ATOM 0 HE2 PHE B 178 -10.993 -0.487 -0.980 1.00 64.02 H new ATOM 0 HZ PHE B 178 -9.350 0.774 -2.358 1.00 64.25 H new ATOM 2121 N VAL B 179 -6.035 -0.422 5.069 1.00 72.43 N ATOM 2122 CA VAL B 179 -5.502 -0.155 6.395 1.00 11.54 C ATOM 2123 C VAL B 179 -4.812 1.213 6.440 1.00 70.31 C ATOM 2124 O VAL B 179 -3.865 1.513 5.709 1.00 64.05 O ATOM 2125 CB VAL B 179 -4.677 -1.355 6.909 1.00 22.10 C ATOM 2126 CG1 VAL B 179 -3.267 -1.434 6.323 1.00 32.10 C ATOM 2127 CG2 VAL B 179 -4.576 -1.356 8.440 1.00 11.43 C ATOM 0 H VAL B 179 -5.358 -0.287 4.318 1.00 72.43 H new ATOM 0 HA VAL B 179 -6.313 -0.065 7.117 1.00 11.54 H new ATOM 0 HB VAL B 179 -5.226 -2.232 6.568 1.00 22.10 H new ATOM 0 HG11 VAL B 179 -2.751 -2.303 6.732 1.00 32.10 H new ATOM 0 HG12 VAL B 179 -3.328 -1.526 5.239 1.00 32.10 H new ATOM 0 HG13 VAL B 179 -2.715 -0.530 6.580 1.00 32.10 H new ATOM 0 HG21 VAL B 179 -3.989 -2.215 8.765 1.00 11.43 H new ATOM 0 HG22 VAL B 179 -4.092 -0.438 8.773 1.00 11.43 H new ATOM 0 HG23 VAL B 179 -5.576 -1.416 8.871 1.00 11.43 H new ATOM 2137 N GLU B 180 -5.330 2.104 7.274 1.00 41.33 N ATOM 2138 CA GLU B 180 -4.790 3.438 7.462 1.00 5.21 C ATOM 2139 C GLU B 180 -3.513 3.358 8.293 1.00 54.45 C ATOM 2140 O GLU B 180 -3.347 2.483 9.154 1.00 70.02 O ATOM 2141 CB GLU B 180 -5.833 4.316 8.165 1.00 5.51 C ATOM 2142 CG GLU B 180 -7.041 4.613 7.268 1.00 11.22 C ATOM 2143 CD GLU B 180 -8.345 4.544 8.051 1.00 22.32 C ATOM 2144 OE1 GLU B 180 -8.673 5.527 8.747 1.00 1.12 O ATOM 2145 OE2 GLU B 180 -9.032 3.497 7.972 1.00 72.01 O ATOM 0 H GLU B 180 -6.152 1.914 7.848 1.00 41.33 H new ATOM 0 HA GLU B 180 -4.552 3.880 6.495 1.00 5.21 H new ATOM 0 HB2 GLU B 180 -6.171 3.818 9.074 1.00 5.51 H new ATOM 0 HB3 GLU B 180 -5.369 5.254 8.469 1.00 5.51 H new ATOM 0 HG2 GLU B 180 -6.933 5.603 6.825 1.00 11.22 H new ATOM 0 HG3 GLU B 180 -7.070 3.898 6.446 1.00 11.22 H new ATOM 2152 N ILE B 181 -2.651 4.351 8.114 1.00 65.34 N ATOM 2153 CA ILE B 181 -1.389 4.448 8.829 1.00 12.30 C ATOM 2154 C ILE B 181 -1.673 4.941 10.251 1.00 74.11 C ATOM 2155 O ILE B 181 -2.648 5.649 10.500 1.00 44.33 O ATOM 2156 CB ILE B 181 -0.463 5.388 8.018 1.00 45.33 C ATOM 2157 CG1 ILE B 181 0.419 4.490 7.123 1.00 65.34 C ATOM 2158 CG2 ILE B 181 0.298 6.428 8.865 1.00 14.50 C ATOM 2159 CD1 ILE B 181 1.505 5.289 6.417 1.00 13.44 C ATOM 0 H ILE B 181 -2.812 5.118 7.461 1.00 65.34 H new ATOM 0 HA ILE B 181 -0.882 3.488 8.926 1.00 12.30 H new ATOM 0 HB ILE B 181 -1.060 6.046 7.387 1.00 45.33 H new ATOM 0 HG12 ILE B 181 0.878 3.710 7.731 1.00 65.34 H new ATOM 0 HG13 ILE B 181 -0.205 3.991 6.382 1.00 65.34 H new ATOM 0 HG21 ILE B 181 0.921 7.042 8.214 1.00 14.50 H new ATOM 0 HG22 ILE B 181 -0.416 7.064 9.389 1.00 14.50 H new ATOM 0 HG23 ILE B 181 0.928 5.915 9.592 1.00 14.50 H new ATOM 0 HD11 ILE B 181 2.104 4.621 5.798 1.00 13.44 H new ATOM 0 HD12 ILE B 181 1.045 6.052 5.789 1.00 13.44 H new ATOM 0 HD13 ILE B 181 2.145 5.767 7.158 1.00 13.44 H new ATOM 2171 N ARG B 182 -0.889 4.463 11.219 1.00 33.43 N ATOM 2172 CA ARG B 182 -1.016 4.844 12.623 1.00 13.33 C ATOM 2173 C ARG B 182 -0.324 6.194 12.755 1.00 61.03 C ATOM 2174 O ARG B 182 0.881 6.271 12.527 1.00 22.40 O ATOM 2175 CB ARG B 182 -0.376 3.775 13.521 1.00 70.32 C ATOM 2176 CG ARG B 182 -1.210 2.479 13.626 1.00 1.11 C ATOM 2177 CD ARG B 182 -2.560 2.714 14.316 1.00 43.32 C ATOM 2178 NE ARG B 182 -3.344 1.480 14.513 1.00 51.12 N ATOM 2179 CZ ARG B 182 -4.507 1.425 15.181 1.00 30.00 C ATOM 2180 NH1 ARG B 182 -4.936 2.480 15.861 1.00 21.01 N ATOM 2181 NH2 ARG B 182 -5.239 0.318 15.180 1.00 3.31 N ATOM 0 H ARG B 182 -0.140 3.793 11.046 1.00 33.43 H new ATOM 0 HA ARG B 182 -2.057 4.920 12.938 1.00 13.33 H new ATOM 0 HB2 ARG B 182 0.613 3.531 13.133 1.00 70.32 H new ATOM 0 HB3 ARG B 182 -0.234 4.188 14.520 1.00 70.32 H new ATOM 0 HG2 ARG B 182 -1.379 2.076 12.628 1.00 1.11 H new ATOM 0 HG3 ARG B 182 -0.646 1.730 14.181 1.00 1.11 H new ATOM 0 HD2 ARG B 182 -2.387 3.183 15.284 1.00 43.32 H new ATOM 0 HD3 ARG B 182 -3.145 3.416 13.722 1.00 43.32 H new ATOM 0 HE ARG B 182 -2.979 0.614 14.117 1.00 51.12 H new ATOM 0 HH11 ARG B 182 -4.382 3.336 15.877 1.00 21.01 H new ATOM 0 HH12 ARG B 182 -5.820 2.435 16.368 1.00 21.01 H new ATOM 0 HH21 ARG B 182 -4.920 -0.504 14.668 1.00 3.31 H new ATOM 0 HH22 ARG B 182 -6.121 0.289 15.692 1.00 3.31 H new