USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 78 GLN : amide:sc= -1.27 K(o=-1.1,f=-5.2!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 158:sc= 0.201 (180deg=0) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 164:sc=-0.00164 (180deg=-0.314) USER MOD Single : A 4 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 140:sc= 0.812 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -146:sc= -0.35 (180deg=-1.49!) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -1.4 (180deg=-3.03!) USER MOD Single : A 43 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.0033) USER MOD Single : A 44 SER OG : rot 88:sc= 0.95 USER MOD Single : A 46 SER OG : rot 95:sc= 0.00911 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.16) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -34:sc= 0.275 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 76 THR OG1 : rot 101:sc= 0.716 USER MOD Single : A 81 LYS NZ :NH3+ 144:sc= 0.428 (180deg=0.0329) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.0621 (180deg=-0.493) USER MOD Single : A 84 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.74) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -4.09! K(o=-4.1!,f=-2.9) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -0.173 (180deg=-1.04) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.501 K(o=-0.5,f=-1.9!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.588 -2.389 8.865 1.00 0.20 N ATOM 37 CA LYS A 3 -1.582 -3.449 9.185 1.00 0.18 C ATOM 38 C LYS A 3 -0.236 -3.049 8.582 1.00 0.15 C ATOM 39 O LYS A 3 -0.132 -2.792 7.399 1.00 0.16 O ATOM 40 CB LYS A 3 -2.060 -4.769 8.565 1.00 0.19 C ATOM 41 CG LYS A 3 -1.068 -5.901 8.859 1.00 0.20 C ATOM 42 CD LYS A 3 -1.722 -7.249 8.532 1.00 0.81 C ATOM 43 CE LYS A 3 -0.707 -8.378 8.729 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.313 -8.449 10.164 1.00 1.67 N ATOM 0 HA LYS A 3 -1.472 -3.566 10.263 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.042 -5.028 8.962 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -2.173 -4.650 7.487 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.163 -5.770 8.266 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.769 -5.874 9.907 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -2.588 -7.409 9.175 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.084 -7.248 7.504 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.138 -9.328 8.412 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.172 -8.204 8.108 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 0.151 -9.360 10.352 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 0.345 -7.674 10.382 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.160 -8.363 10.761 1.00 1.67 H new ATOM 58 N GLN A 4 0.799 -3.002 9.384 1.00 0.15 N ATOM 59 CA GLN A 4 2.144 -2.630 8.855 1.00 0.14 C ATOM 60 C GLN A 4 2.925 -3.912 8.594 1.00 0.12 C ATOM 61 O GLN A 4 3.080 -4.746 9.465 1.00 0.13 O ATOM 62 CB GLN A 4 2.901 -1.776 9.883 1.00 0.16 C ATOM 63 CG GLN A 4 4.259 -1.356 9.302 1.00 0.17 C ATOM 64 CD GLN A 4 5.004 -0.468 10.307 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.853 -0.625 11.501 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.811 0.466 9.869 1.00 0.31 N ATOM 0 H GLN A 4 0.769 -3.206 10.383 1.00 0.15 H new ATOM 0 HA GLN A 4 2.032 -2.054 7.936 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.315 -0.893 10.140 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.047 -2.341 10.804 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.855 -2.239 9.072 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.113 -0.817 8.366 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.940 0.600 8.866 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.311 1.060 10.531 1.00 0.31 H new ATOM 75 N ILE A 5 3.426 -4.072 7.405 1.00 0.10 N ATOM 76 CA ILE A 5 4.208 -5.299 7.072 1.00 0.10 C ATOM 77 C ILE A 5 5.693 -4.955 7.148 1.00 0.10 C ATOM 78 O ILE A 5 6.201 -4.196 6.347 1.00 0.11 O ATOM 79 CB ILE A 5 3.875 -5.720 5.642 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.355 -5.812 5.446 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.498 -7.076 5.355 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.735 -6.797 6.445 1.00 0.19 C ATOM 0 H ILE A 5 3.329 -3.403 6.641 1.00 0.10 H new ATOM 0 HA ILE A 5 3.967 -6.105 7.765 1.00 0.10 H new ATOM 0 HB ILE A 5 4.275 -4.972 4.957 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.907 -4.827 5.575 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.134 -6.132 4.428 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.261 -7.377 4.335 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.580 -7.011 5.472 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.101 -7.814 6.052 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.658 -6.846 6.287 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.168 -7.786 6.297 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.938 -6.460 7.462 1.00 0.19 H new ATOM 94 N GLU A 6 6.398 -5.499 8.104 1.00 0.11 N ATOM 95 CA GLU A 6 7.851 -5.189 8.226 1.00 0.13 C ATOM 96 C GLU A 6 8.671 -6.283 7.543 1.00 0.12 C ATOM 97 O GLU A 6 9.884 -6.229 7.513 1.00 0.13 O ATOM 98 CB GLU A 6 8.230 -5.113 9.705 1.00 0.15 C ATOM 99 CG GLU A 6 7.413 -4.018 10.399 1.00 0.17 C ATOM 100 CD GLU A 6 7.886 -2.633 9.943 1.00 1.45 C ATOM 101 OE1 GLU A 6 8.931 -2.204 10.406 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.193 -2.023 9.144 1.00 2.25 O ATOM 0 H GLU A 6 6.031 -6.143 8.804 1.00 0.11 H new ATOM 0 HA GLU A 6 8.059 -4.233 7.746 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.048 -6.074 10.186 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.295 -4.903 9.806 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.355 -4.143 10.169 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.516 -4.108 11.480 1.00 0.17 H new ATOM 109 N SER A 7 8.026 -7.281 6.988 1.00 0.12 N ATOM 110 CA SER A 7 8.795 -8.367 6.306 1.00 0.13 C ATOM 111 C SER A 7 7.955 -9.024 5.215 1.00 0.12 C ATOM 112 O SER A 7 6.741 -9.034 5.267 1.00 0.12 O ATOM 113 CB SER A 7 9.187 -9.436 7.328 1.00 0.15 C ATOM 114 OG SER A 7 8.013 -9.983 7.916 1.00 0.15 O ATOM 0 H SER A 7 7.012 -7.390 6.978 1.00 0.12 H new ATOM 0 HA SER A 7 9.684 -7.924 5.857 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.765 -10.223 6.843 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.824 -9.002 8.098 1.00 0.15 H new ATOM 0 HG SER A 7 8.264 -10.669 8.569 1.00 0.15 H new ATOM 120 N LYS A 8 8.606 -9.606 4.244 1.00 0.14 N ATOM 121 CA LYS A 8 7.868 -10.299 3.156 1.00 0.15 C ATOM 122 C LYS A 8 7.121 -11.472 3.769 1.00 0.15 C ATOM 123 O LYS A 8 6.045 -11.837 3.344 1.00 0.16 O ATOM 124 CB LYS A 8 8.858 -10.818 2.110 1.00 0.18 C ATOM 125 CG LYS A 8 8.087 -11.257 0.864 1.00 0.21 C ATOM 126 CD LYS A 8 9.057 -11.771 -0.210 1.00 0.43 C ATOM 127 CE LYS A 8 9.836 -12.988 0.308 1.00 0.80 C ATOM 128 NZ LYS A 8 10.322 -13.795 -0.849 1.00 1.65 N ATOM 0 H LYS A 8 9.622 -9.630 4.160 1.00 0.14 H new ATOM 0 HA LYS A 8 7.173 -9.612 2.674 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.576 -10.039 1.853 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.427 -11.655 2.514 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.375 -12.040 1.126 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.510 -10.420 0.472 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.503 -12.042 -1.109 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.752 -10.979 -0.490 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.679 -12.662 0.917 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.197 -13.597 0.948 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.850 -14.620 -0.499 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.510 -14.117 -1.413 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.945 -13.211 -1.442 1.00 1.65 H new ATOM 142 N THR A 9 7.690 -12.067 4.775 1.00 0.15 N ATOM 143 CA THR A 9 7.019 -13.227 5.408 1.00 0.17 C ATOM 144 C THR A 9 5.632 -12.790 5.872 1.00 0.16 C ATOM 145 O THR A 9 4.640 -13.436 5.598 1.00 0.17 O ATOM 146 CB THR A 9 7.844 -13.688 6.613 1.00 0.19 C ATOM 147 OG1 THR A 9 9.183 -13.931 6.204 1.00 0.22 O ATOM 148 CG2 THR A 9 7.246 -14.973 7.191 1.00 0.23 C ATOM 0 H THR A 9 8.586 -11.801 5.184 1.00 0.15 H new ATOM 0 HA THR A 9 6.930 -14.049 4.698 1.00 0.17 H new ATOM 0 HB THR A 9 7.830 -12.911 7.377 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.712 -14.224 6.975 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.837 -15.296 8.048 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.220 -14.786 7.508 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.255 -15.753 6.430 1.00 0.23 H new ATOM 156 N ALA A 10 5.553 -11.682 6.549 1.00 0.15 N ATOM 157 CA ALA A 10 4.230 -11.183 7.013 1.00 0.15 C ATOM 158 C ALA A 10 3.404 -10.750 5.800 1.00 0.14 C ATOM 159 O ALA A 10 2.194 -10.815 5.815 1.00 0.15 O ATOM 160 CB ALA A 10 4.428 -9.995 7.955 1.00 0.17 C ATOM 0 H ALA A 10 6.350 -11.098 6.802 1.00 0.15 H new ATOM 0 HA ALA A 10 3.706 -11.976 7.547 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.457 -9.633 8.293 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.018 -10.308 8.816 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.950 -9.196 7.428 1.00 0.17 H new ATOM 166 N PHE A 11 4.047 -10.313 4.745 1.00 0.14 N ATOM 167 CA PHE A 11 3.283 -9.877 3.535 1.00 0.13 C ATOM 168 C PHE A 11 2.468 -11.051 3.024 1.00 0.14 C ATOM 169 O PHE A 11 1.304 -10.922 2.699 1.00 0.14 O ATOM 170 CB PHE A 11 4.280 -9.463 2.437 1.00 0.14 C ATOM 171 CG PHE A 11 3.556 -8.802 1.281 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.922 -7.569 1.462 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.548 -9.411 0.015 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.276 -6.949 0.388 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.902 -8.790 -1.058 1.00 0.14 C ATOM 176 CZ PHE A 11 2.265 -7.559 -0.871 1.00 0.14 C ATOM 0 H PHE A 11 5.062 -10.240 4.669 1.00 0.14 H new ATOM 0 HA PHE A 11 2.631 -9.041 3.788 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.020 -8.777 2.850 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.822 -10.339 2.081 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.931 -7.095 2.432 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.042 -10.361 -0.130 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.785 -5.998 0.531 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.895 -9.260 -2.030 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.764 -7.079 -1.699 1.00 0.14 H new ATOM 186 N GLN A 12 3.070 -12.198 2.963 1.00 0.14 N ATOM 187 CA GLN A 12 2.331 -13.389 2.481 1.00 0.16 C ATOM 188 C GLN A 12 1.212 -13.716 3.471 1.00 0.15 C ATOM 189 O GLN A 12 0.093 -13.999 3.095 1.00 0.16 O ATOM 190 CB GLN A 12 3.303 -14.566 2.397 1.00 0.18 C ATOM 191 CG GLN A 12 4.481 -14.192 1.494 1.00 0.17 C ATOM 192 CD GLN A 12 3.981 -13.956 0.067 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.413 -14.840 -0.539 1.00 1.12 O ATOM 194 NE2 GLN A 12 4.166 -12.795 -0.499 1.00 1.31 N ATOM 0 H GLN A 12 4.042 -12.363 3.226 1.00 0.14 H new ATOM 0 HA GLN A 12 1.900 -13.196 1.499 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.663 -14.826 3.393 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.793 -15.445 2.002 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.971 -13.294 1.871 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.225 -14.988 1.502 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.643 -12.050 0.009 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.833 -12.632 -1.449 1.00 1.31 H new ATOM 203 N GLU A 13 1.510 -13.664 4.741 1.00 0.16 N ATOM 204 CA GLU A 13 0.474 -13.955 5.771 1.00 0.17 C ATOM 205 C GLU A 13 -0.632 -12.902 5.722 1.00 0.15 C ATOM 206 O GLU A 13 -1.793 -13.195 5.934 1.00 0.16 O ATOM 207 CB GLU A 13 1.130 -13.937 7.156 1.00 0.19 C ATOM 208 CG GLU A 13 2.151 -15.072 7.265 1.00 0.28 C ATOM 209 CD GLU A 13 1.433 -16.421 7.181 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.260 -16.467 7.518 1.00 1.77 O ATOM 211 OE2 GLU A 13 2.067 -17.386 6.786 1.00 1.67 O ATOM 0 H GLU A 13 2.432 -13.431 5.110 1.00 0.16 H new ATOM 0 HA GLU A 13 0.037 -14.934 5.574 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.620 -12.978 7.323 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.370 -14.045 7.929 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.887 -14.990 6.465 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.694 -14.996 8.207 1.00 0.28 H new ATOM 218 N ALA A 14 -0.277 -11.675 5.458 1.00 0.15 N ATOM 219 CA ALA A 14 -1.301 -10.599 5.406 1.00 0.14 C ATOM 220 C ALA A 14 -2.203 -10.831 4.199 1.00 0.13 C ATOM 221 O ALA A 14 -3.409 -10.705 4.279 1.00 0.13 O ATOM 222 CB ALA A 14 -0.609 -9.232 5.302 1.00 0.15 C ATOM 0 H ALA A 14 0.680 -11.373 5.276 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.904 -10.614 6.314 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.362 -8.445 5.264 1.00 0.15 H new ATOM 0 HB2 ALA A 14 0.030 -9.081 6.172 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.003 -9.199 4.396 1.00 0.15 H new ATOM 228 N LEU A 15 -1.634 -11.172 3.077 1.00 0.12 N ATOM 229 CA LEU A 15 -2.474 -11.414 1.879 1.00 0.12 C ATOM 230 C LEU A 15 -3.434 -12.560 2.198 1.00 0.13 C ATOM 231 O LEU A 15 -4.591 -12.538 1.834 1.00 0.13 O ATOM 232 CB LEU A 15 -1.588 -11.809 0.692 1.00 0.13 C ATOM 233 CG LEU A 15 -0.753 -10.606 0.219 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.342 -11.097 -0.731 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.636 -9.574 -0.509 1.00 0.17 C ATOM 0 H LEU A 15 -0.630 -11.292 2.941 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.026 -10.511 1.620 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.928 -12.627 0.980 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.208 -12.173 -0.127 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.309 -10.126 1.091 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.937 -10.249 -1.070 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.985 -11.806 -0.210 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.115 -11.586 -1.591 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.022 -8.734 -0.833 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.100 -10.041 -1.378 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.412 -9.216 0.168 1.00 0.17 H new ATOM 247 N ASP A 16 -2.956 -13.568 2.884 1.00 0.13 N ATOM 248 CA ASP A 16 -3.834 -14.719 3.235 1.00 0.15 C ATOM 249 C ASP A 16 -4.879 -14.281 4.267 1.00 0.15 C ATOM 250 O ASP A 16 -5.995 -14.759 4.276 1.00 0.16 O ATOM 251 CB ASP A 16 -2.984 -15.851 3.824 1.00 0.17 C ATOM 252 CG ASP A 16 -3.792 -17.153 3.830 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.477 -17.398 4.809 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.708 -17.884 2.856 1.00 1.07 O ATOM 0 H ASP A 16 -1.994 -13.641 3.215 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.340 -15.070 2.335 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.074 -15.979 3.237 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.676 -15.598 4.839 1.00 0.17 H new ATOM 259 N ALA A 17 -4.511 -13.392 5.151 1.00 0.15 N ATOM 260 CA ALA A 17 -5.466 -12.928 6.203 1.00 0.16 C ATOM 261 C ALA A 17 -6.599 -12.110 5.575 1.00 0.15 C ATOM 262 O ALA A 17 -7.736 -12.176 6.002 1.00 0.17 O ATOM 263 CB ALA A 17 -4.715 -12.056 7.210 1.00 0.18 C ATOM 0 H ALA A 17 -3.586 -12.965 5.191 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.894 -13.798 6.702 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.405 -11.714 7.981 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -3.916 -12.638 7.670 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.287 -11.194 6.697 1.00 0.18 H new ATOM 269 N ALA A 18 -6.300 -11.341 4.567 1.00 0.14 N ATOM 270 CA ALA A 18 -7.360 -10.517 3.915 1.00 0.15 C ATOM 271 C ALA A 18 -8.394 -11.440 3.282 1.00 0.14 C ATOM 272 O ALA A 18 -9.560 -11.114 3.179 1.00 0.17 O ATOM 273 CB ALA A 18 -6.731 -9.653 2.824 1.00 0.15 C ATOM 0 H ALA A 18 -5.368 -11.246 4.165 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.837 -9.880 4.660 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.504 -9.050 2.346 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.981 -8.997 3.266 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.259 -10.294 2.079 1.00 0.15 H new ATOM 279 N GLY A 19 -7.969 -12.588 2.850 1.00 0.16 N ATOM 280 CA GLY A 19 -8.915 -13.539 2.213 1.00 0.20 C ATOM 281 C GLY A 19 -9.396 -12.960 0.880 1.00 0.16 C ATOM 282 O GLY A 19 -8.605 -12.604 0.027 1.00 0.17 O ATOM 0 H GLY A 19 -7.003 -12.911 2.910 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.427 -14.500 2.050 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.765 -13.720 2.871 1.00 0.20 H new ATOM 286 N ASP A 20 -10.687 -12.875 0.688 1.00 0.15 N ATOM 287 CA ASP A 20 -11.228 -12.335 -0.596 1.00 0.14 C ATOM 288 C ASP A 20 -11.460 -10.822 -0.496 1.00 0.12 C ATOM 289 O ASP A 20 -11.954 -10.205 -1.419 1.00 0.13 O ATOM 290 CB ASP A 20 -12.556 -13.029 -0.917 1.00 0.15 C ATOM 291 CG ASP A 20 -12.331 -14.537 -1.072 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.252 -14.918 -1.494 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.246 -15.285 -0.766 1.00 1.07 O ATOM 0 H ASP A 20 -11.393 -13.157 1.368 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.503 -12.525 -1.387 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.277 -12.840 -0.122 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.978 -12.619 -1.834 1.00 0.15 H new ATOM 298 N LYS A 21 -11.110 -10.209 0.604 1.00 0.12 N ATOM 299 CA LYS A 21 -11.325 -8.735 0.727 1.00 0.12 C ATOM 300 C LYS A 21 -10.271 -8.005 -0.114 1.00 0.10 C ATOM 301 O LYS A 21 -9.164 -8.478 -0.271 1.00 0.11 O ATOM 302 CB LYS A 21 -11.150 -8.302 2.188 1.00 0.15 C ATOM 303 CG LYS A 21 -12.259 -8.891 3.071 1.00 0.21 C ATOM 304 CD LYS A 21 -12.366 -8.077 4.367 1.00 0.31 C ATOM 305 CE LYS A 21 -13.199 -8.846 5.389 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.380 -8.017 6.614 1.00 1.50 N ATOM 0 H LYS A 21 -10.688 -10.659 1.416 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.331 -8.493 0.385 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.177 -8.628 2.554 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.167 -7.214 2.253 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.210 -8.874 2.539 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.041 -9.934 3.301 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.372 -7.880 4.768 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.825 -7.109 4.163 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.170 -9.101 4.964 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.706 -9.784 5.643 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.948 -8.543 7.309 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.450 -7.795 7.024 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.869 -7.133 6.366 1.00 1.50 H new ATOM 320 N LEU A 22 -10.591 -6.850 -0.643 1.00 0.11 N ATOM 321 CA LEU A 22 -9.587 -6.105 -1.455 1.00 0.12 C ATOM 322 C LEU A 22 -8.370 -5.854 -0.546 1.00 0.12 C ATOM 323 O LEU A 22 -8.472 -5.904 0.664 1.00 0.14 O ATOM 324 CB LEU A 22 -10.221 -4.765 -1.909 1.00 0.15 C ATOM 325 CG LEU A 22 -9.833 -4.392 -3.357 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.385 -2.977 -3.696 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.303 -4.403 -3.537 1.00 0.47 C ATOM 0 H LEU A 22 -11.499 -6.395 -0.547 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.280 -6.660 -2.341 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.306 -4.835 -1.833 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.905 -3.969 -1.234 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.266 -5.131 -4.031 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.111 -2.715 -4.718 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.471 -2.978 -3.600 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.961 -2.246 -3.007 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.056 -4.137 -4.565 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.851 -3.681 -2.857 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.918 -5.399 -3.317 1.00 0.47 H new ATOM 339 N VAL A 23 -7.228 -5.581 -1.112 1.00 0.11 N ATOM 340 CA VAL A 23 -6.022 -5.327 -0.284 1.00 0.11 C ATOM 341 C VAL A 23 -5.149 -4.316 -1.009 1.00 0.11 C ATOM 342 O VAL A 23 -4.692 -4.561 -2.109 1.00 0.17 O ATOM 343 CB VAL A 23 -5.230 -6.624 -0.117 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.969 -6.355 0.708 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.091 -7.666 0.590 1.00 0.12 C ATOM 0 H VAL A 23 -7.080 -5.523 -2.120 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.319 -4.952 0.696 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.945 -6.999 -1.100 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.407 -7.281 0.825 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.350 -5.617 0.197 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.251 -5.975 1.690 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.523 -8.589 0.707 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.382 -7.292 1.572 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.984 -7.863 -0.003 1.00 0.12 H new ATOM 355 N VAL A 24 -4.903 -3.190 -0.401 1.00 0.09 N ATOM 356 CA VAL A 24 -4.041 -2.156 -1.043 1.00 0.09 C ATOM 357 C VAL A 24 -2.703 -2.149 -0.313 1.00 0.09 C ATOM 358 O VAL A 24 -2.657 -2.311 0.891 1.00 0.10 O ATOM 359 CB VAL A 24 -4.699 -0.776 -0.921 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.850 0.264 -1.663 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.099 -0.826 -1.535 1.00 0.14 C ATOM 0 H VAL A 24 -5.264 -2.939 0.519 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.903 -2.382 -2.100 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.772 -0.499 0.131 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.318 1.245 -1.576 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.852 0.298 -1.226 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.776 -0.011 -2.715 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.569 0.154 -1.450 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.025 -1.103 -2.587 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.702 -1.565 -1.007 1.00 0.14 H new ATOM 371 N VAL A 25 -1.614 -1.974 -1.019 1.00 0.09 N ATOM 372 CA VAL A 25 -0.272 -1.962 -0.352 1.00 0.09 C ATOM 373 C VAL A 25 0.443 -0.661 -0.703 1.00 0.10 C ATOM 374 O VAL A 25 0.681 -0.359 -1.855 1.00 0.11 O ATOM 375 CB VAL A 25 0.553 -3.154 -0.844 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.883 -3.200 -0.092 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.221 -4.452 -0.586 1.00 0.10 C ATOM 0 H VAL A 25 -1.594 -1.839 -2.030 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.394 -2.034 0.729 1.00 0.09 H new ATOM 0 HB VAL A 25 0.742 -3.047 -1.912 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.470 -4.049 -0.443 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.435 -2.278 -0.272 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.694 -3.306 0.976 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.366 -5.301 -0.936 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.410 -4.557 0.482 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.170 -4.422 -1.121 1.00 0.10 H new ATOM 387 N ASP A 26 0.777 0.122 0.287 1.00 0.11 N ATOM 388 CA ASP A 26 1.466 1.420 0.024 1.00 0.12 C ATOM 389 C ASP A 26 2.976 1.306 0.222 1.00 0.14 C ATOM 390 O ASP A 26 3.460 1.250 1.334 1.00 0.20 O ATOM 391 CB ASP A 26 0.925 2.467 0.994 1.00 0.14 C ATOM 392 CG ASP A 26 1.636 3.799 0.750 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.602 4.273 -0.370 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.200 4.323 1.697 1.00 1.04 O ATOM 0 H ASP A 26 0.602 -0.082 1.271 1.00 0.11 H new ATOM 0 HA ASP A 26 1.276 1.704 -1.011 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.150 2.585 0.857 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.081 2.141 2.022 1.00 0.14 H new ATOM 399 N PHE A 27 3.733 1.343 -0.843 1.00 0.13 N ATOM 400 CA PHE A 27 5.213 1.312 -0.694 1.00 0.13 C ATOM 401 C PHE A 27 5.664 2.760 -0.586 1.00 0.22 C ATOM 402 O PHE A 27 5.758 3.462 -1.571 1.00 0.73 O ATOM 403 CB PHE A 27 5.864 0.691 -1.938 1.00 0.11 C ATOM 404 CG PHE A 27 5.615 -0.794 -1.985 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.476 -1.663 -1.307 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.538 -1.306 -2.719 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.262 -3.047 -1.361 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.323 -2.690 -2.770 1.00 0.14 C ATOM 409 CZ PHE A 27 5.184 -3.559 -2.092 1.00 0.14 C ATOM 0 H PHE A 27 3.391 1.393 -1.803 1.00 0.13 H new ATOM 0 HA PHE A 27 5.497 0.722 0.177 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.464 1.160 -2.837 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.937 0.885 -1.928 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.307 -1.267 -0.741 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.874 -0.636 -3.245 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.928 -3.718 -0.839 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.491 -3.086 -3.334 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.017 -4.625 -2.133 1.00 0.14 H new ATOM 419 N SER A 28 5.936 3.211 0.607 1.00 0.30 N ATOM 420 CA SER A 28 6.379 4.623 0.811 1.00 0.24 C ATOM 421 C SER A 28 7.637 4.601 1.668 1.00 0.24 C ATOM 422 O SER A 28 7.783 3.773 2.544 1.00 0.28 O ATOM 423 CB SER A 28 5.276 5.397 1.544 1.00 0.27 C ATOM 424 OG SER A 28 4.092 5.380 0.757 1.00 0.29 O ATOM 0 H SER A 28 5.870 2.656 1.460 1.00 0.30 H new ATOM 0 HA SER A 28 6.579 5.105 -0.146 1.00 0.24 H new ATOM 0 HB2 SER A 28 5.086 4.948 2.519 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.593 6.424 1.723 1.00 0.27 H new ATOM 0 HG SER A 28 3.314 5.250 1.339 1.00 0.29 H new ATOM 430 N ALA A 29 8.549 5.498 1.443 1.00 0.20 N ATOM 431 CA ALA A 29 9.777 5.502 2.274 1.00 0.21 C ATOM 432 C ALA A 29 9.466 6.275 3.551 1.00 0.22 C ATOM 433 O ALA A 29 9.059 7.419 3.511 1.00 0.22 O ATOM 434 CB ALA A 29 10.921 6.183 1.493 1.00 0.19 C ATOM 0 H ALA A 29 8.499 6.222 0.727 1.00 0.20 H new ATOM 0 HA ALA A 29 10.089 4.487 2.520 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.825 6.187 2.102 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.108 5.635 0.570 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.639 7.209 1.255 1.00 0.19 H new ATOM 440 N THR A 30 9.643 5.662 4.681 1.00 0.23 N ATOM 441 CA THR A 30 9.350 6.375 5.944 1.00 0.24 C ATOM 442 C THR A 30 10.305 7.558 6.046 1.00 0.22 C ATOM 443 O THR A 30 9.997 8.579 6.628 1.00 0.22 O ATOM 444 CB THR A 30 9.553 5.420 7.126 1.00 0.28 C ATOM 445 OG1 THR A 30 9.294 6.107 8.341 1.00 0.30 O ATOM 446 CG2 THR A 30 10.988 4.887 7.130 1.00 0.29 C ATOM 0 H THR A 30 9.976 4.703 4.784 1.00 0.23 H new ATOM 0 HA THR A 30 8.319 6.729 5.961 1.00 0.24 H new ATOM 0 HB THR A 30 8.864 4.581 7.029 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.422 5.496 9.096 1.00 0.30 H new ATOM 0 HG21 THR A 30 11.122 4.210 7.973 1.00 0.29 H new ATOM 0 HG22 THR A 30 11.180 4.351 6.200 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.685 5.720 7.219 1.00 0.29 H new ATOM 454 N TRP A 31 11.467 7.427 5.470 1.00 0.22 N ATOM 455 CA TRP A 31 12.455 8.542 5.530 1.00 0.21 C ATOM 456 C TRP A 31 12.116 9.637 4.511 1.00 0.19 C ATOM 457 O TRP A 31 12.691 10.707 4.539 1.00 0.22 O ATOM 458 CB TRP A 31 13.841 8.005 5.210 1.00 0.23 C ATOM 459 CG TRP A 31 13.851 7.424 3.826 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.623 6.127 3.537 1.00 0.26 C ATOM 461 CD2 TRP A 31 14.073 8.092 2.548 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.741 5.942 2.172 1.00 0.25 N ATOM 463 CE2 TRP A 31 14.006 7.123 1.517 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.336 9.425 2.182 1.00 0.21 C ATOM 465 CZ2 TRP A 31 14.193 7.460 0.179 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.519 9.768 0.832 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.446 8.785 -0.167 1.00 0.21 C ATOM 0 H TRP A 31 11.776 6.599 4.961 1.00 0.22 H new ATOM 0 HA TRP A 31 12.424 8.966 6.533 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.578 8.805 5.284 1.00 0.23 H new ATOM 0 HB3 TRP A 31 14.123 7.243 5.937 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.386 5.357 4.256 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.643 5.040 1.707 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.398 10.189 2.943 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 14.142 6.699 -0.585 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.717 10.795 0.561 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.586 9.056 -1.203 1.00 0.21 H new ATOM 478 N CYS A 32 11.205 9.393 3.608 1.00 0.18 N ATOM 479 CA CYS A 32 10.869 10.447 2.604 1.00 0.17 C ATOM 480 C CYS A 32 9.781 11.347 3.190 1.00 0.17 C ATOM 481 O CYS A 32 8.683 10.916 3.482 1.00 0.20 O ATOM 482 CB CYS A 32 10.397 9.776 1.305 1.00 0.18 C ATOM 483 SG CYS A 32 10.237 11.012 -0.019 1.00 0.26 S ATOM 0 H CYS A 32 10.683 8.521 3.521 1.00 0.18 H new ATOM 0 HA CYS A 32 11.743 11.056 2.373 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.106 9.004 1.008 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.439 9.283 1.469 1.00 0.18 H new ATOM 488 N GLY A 33 10.107 12.596 3.387 1.00 0.20 N ATOM 489 CA GLY A 33 9.137 13.552 3.984 1.00 0.23 C ATOM 490 C GLY A 33 7.870 13.696 3.128 1.00 0.21 C ATOM 491 O GLY A 33 6.779 13.552 3.640 1.00 0.22 O ATOM 0 H GLY A 33 11.016 12.997 3.156 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.863 13.214 4.983 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.611 14.527 4.096 1.00 0.23 H new ATOM 495 N PRO A 34 7.976 13.987 1.847 1.00 0.21 N ATOM 496 CA PRO A 34 6.750 14.134 1.017 1.00 0.22 C ATOM 497 C PRO A 34 5.893 12.855 0.971 1.00 0.22 C ATOM 498 O PRO A 34 4.692 12.919 0.816 1.00 0.24 O ATOM 499 CB PRO A 34 7.313 14.518 -0.366 1.00 0.29 C ATOM 500 CG PRO A 34 8.842 14.332 -0.334 1.00 0.31 C ATOM 501 CD PRO A 34 9.281 14.189 1.139 1.00 0.24 C ATOM 0 HA PRO A 34 6.060 14.876 1.419 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.871 13.894 -1.143 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.061 15.551 -0.605 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.129 13.448 -0.904 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.338 15.185 -0.797 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.955 13.344 1.282 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.803 15.077 1.495 1.00 0.24 H new ATOM 509 N ALA A 35 6.489 11.698 1.104 1.00 0.21 N ATOM 510 CA ALA A 35 5.680 10.440 1.057 1.00 0.23 C ATOM 511 C ALA A 35 4.943 10.241 2.384 1.00 0.23 C ATOM 512 O ALA A 35 3.759 9.967 2.419 1.00 0.22 O ATOM 513 CB ALA A 35 6.604 9.247 0.805 1.00 0.24 C ATOM 0 H ALA A 35 7.491 11.568 1.242 1.00 0.21 H new ATOM 0 HA ALA A 35 4.951 10.516 0.250 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.014 8.331 0.771 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.121 9.381 -0.145 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.336 9.177 1.610 1.00 0.24 H new ATOM 519 N LYS A 36 5.636 10.388 3.477 1.00 0.25 N ATOM 520 CA LYS A 36 4.995 10.221 4.812 1.00 0.27 C ATOM 521 C LYS A 36 3.861 11.239 4.963 1.00 0.26 C ATOM 522 O LYS A 36 2.865 10.989 5.611 1.00 0.27 O ATOM 523 CB LYS A 36 6.035 10.462 5.898 1.00 0.33 C ATOM 524 CG LYS A 36 5.450 10.059 7.252 1.00 0.37 C ATOM 525 CD LYS A 36 6.413 10.459 8.370 1.00 0.44 C ATOM 526 CE LYS A 36 5.785 10.126 9.726 1.00 0.89 C ATOM 527 NZ LYS A 36 6.717 10.534 10.814 1.00 1.59 N ATOM 0 H LYS A 36 6.629 10.619 3.504 1.00 0.25 H new ATOM 0 HA LYS A 36 4.593 9.212 4.903 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.935 9.884 5.691 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.327 11.512 5.912 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.485 10.543 7.400 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.275 8.983 7.278 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.360 9.931 8.256 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.634 11.525 8.311 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.832 10.643 9.835 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.577 9.058 9.791 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.293 10.309 11.737 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.616 10.021 10.712 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.894 11.557 10.754 1.00 1.59 H new ATOM 541 N MET A 37 4.016 12.387 4.364 1.00 0.28 N ATOM 542 CA MET A 37 2.965 13.439 4.457 1.00 0.30 C ATOM 543 C MET A 37 1.658 12.910 3.878 1.00 0.25 C ATOM 544 O MET A 37 0.591 13.329 4.268 1.00 0.25 O ATOM 545 CB MET A 37 3.418 14.683 3.682 1.00 0.38 C ATOM 546 CG MET A 37 2.391 15.813 3.845 1.00 0.44 C ATOM 547 SD MET A 37 0.973 15.527 2.750 1.00 1.54 S ATOM 548 CE MET A 37 1.828 15.760 1.169 1.00 2.10 C ATOM 0 H MET A 37 4.833 12.643 3.809 1.00 0.28 H new ATOM 0 HA MET A 37 2.807 13.706 5.502 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.392 15.012 4.045 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.537 14.439 2.626 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.056 15.864 4.881 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.853 16.772 3.612 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.147 16.217 0.451 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.691 16.410 1.314 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.161 14.794 0.790 1.00 2.10 H new ATOM 558 N ILE A 38 1.741 12.018 2.930 1.00 0.23 N ATOM 559 CA ILE A 38 0.513 11.460 2.292 1.00 0.25 C ATOM 560 C ILE A 38 -0.101 10.335 3.149 1.00 0.26 C ATOM 561 O ILE A 38 -1.143 9.808 2.818 1.00 0.31 O ATOM 562 CB ILE A 38 0.845 10.896 0.898 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.693 11.896 0.087 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.456 10.607 0.141 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.339 11.164 -1.091 1.00 0.49 C ATOM 0 H ILE A 38 2.618 11.647 2.565 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.208 12.273 2.204 1.00 0.25 H new ATOM 0 HB ILE A 38 1.417 9.977 1.026 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.068 12.713 -0.275 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.461 12.339 0.721 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.222 10.208 -0.846 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.046 9.878 0.697 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.027 11.529 0.033 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.941 11.865 -1.669 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.976 10.363 -0.716 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.561 10.742 -1.728 1.00 0.49 H new ATOM 577 N LYS A 39 0.531 9.918 4.219 1.00 0.27 N ATOM 578 CA LYS A 39 -0.060 8.792 5.011 1.00 0.34 C ATOM 579 C LYS A 39 -1.474 9.100 5.557 1.00 0.30 C ATOM 580 O LYS A 39 -2.247 8.188 5.727 1.00 0.33 O ATOM 581 CB LYS A 39 0.871 8.346 6.177 1.00 0.46 C ATOM 582 CG LYS A 39 0.781 9.277 7.418 1.00 0.50 C ATOM 583 CD LYS A 39 1.297 8.543 8.673 1.00 0.65 C ATOM 584 CE LYS A 39 0.375 7.361 9.037 1.00 0.80 C ATOM 585 NZ LYS A 39 0.938 6.100 8.476 1.00 0.75 N ATOM 0 H LYS A 39 1.409 10.297 4.573 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.157 7.970 4.302 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.611 7.330 6.473 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.901 8.321 5.822 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.368 10.179 7.248 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.251 9.593 7.571 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.309 8.179 8.496 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.350 9.239 9.510 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.281 7.280 10.120 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.626 7.532 8.642 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.216 5.625 7.897 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.765 6.322 7.885 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.227 5.473 9.254 1.00 0.75 H new ATOM 599 N PRO A 40 -1.834 10.332 5.876 1.00 0.26 N ATOM 600 CA PRO A 40 -3.192 10.584 6.437 1.00 0.25 C ATOM 601 C PRO A 40 -4.314 10.162 5.487 1.00 0.20 C ATOM 602 O PRO A 40 -5.308 9.618 5.906 1.00 0.21 O ATOM 603 CB PRO A 40 -3.173 12.103 6.667 1.00 0.26 C ATOM 604 CG PRO A 40 -1.710 12.543 6.621 1.00 0.28 C ATOM 605 CD PRO A 40 -0.992 11.548 5.712 1.00 0.27 C ATOM 0 HA PRO A 40 -3.394 10.006 7.339 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.754 12.616 5.901 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.621 12.353 7.629 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.621 13.558 6.234 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.272 12.544 7.619 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.960 11.888 4.677 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.039 11.378 6.024 1.00 0.27 H new ATOM 613 N PHE A 41 -4.176 10.411 4.212 1.00 0.16 N ATOM 614 CA PHE A 41 -5.260 10.000 3.281 1.00 0.13 C ATOM 615 C PHE A 41 -5.268 8.473 3.182 1.00 0.13 C ATOM 616 O PHE A 41 -6.285 7.825 3.310 1.00 0.15 O ATOM 617 CB PHE A 41 -4.987 10.572 1.891 1.00 0.14 C ATOM 618 CG PHE A 41 -5.357 12.031 1.826 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.492 12.997 2.352 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.555 12.420 1.214 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.827 14.353 2.269 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.888 13.775 1.127 1.00 0.31 C ATOM 623 CZ PHE A 41 -6.024 14.742 1.655 1.00 0.37 C ATOM 0 H PHE A 41 -3.374 10.873 3.783 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.217 10.368 3.650 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.933 10.449 1.644 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.556 10.015 1.146 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.567 12.696 2.821 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.222 11.673 0.809 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.163 15.100 2.678 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.811 14.076 0.653 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.281 15.789 1.589 1.00 0.37 H new ATOM 633 N PHE A 42 -4.120 7.896 2.981 1.00 0.12 N ATOM 634 CA PHE A 42 -4.037 6.417 2.884 1.00 0.13 C ATOM 635 C PHE A 42 -4.530 5.802 4.199 1.00 0.14 C ATOM 636 O PHE A 42 -5.393 4.949 4.222 1.00 0.16 O ATOM 637 CB PHE A 42 -2.583 6.031 2.575 1.00 0.13 C ATOM 638 CG PHE A 42 -2.465 4.530 2.493 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.805 3.842 1.318 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.036 3.821 3.616 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.715 2.442 1.277 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.941 2.427 3.575 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.282 1.736 2.407 1.00 0.13 C ATOM 0 H PHE A 42 -3.232 8.388 2.879 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.669 6.035 2.082 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.268 6.483 1.634 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.921 6.416 3.351 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.135 4.389 0.447 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.776 4.351 4.520 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.979 1.909 0.375 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.604 1.883 4.445 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.211 0.659 2.377 1.00 0.13 H new ATOM 653 N HIS A 43 -4.004 6.270 5.290 1.00 0.16 N ATOM 654 CA HIS A 43 -4.411 5.769 6.632 1.00 0.18 C ATOM 655 C HIS A 43 -5.860 6.168 6.961 1.00 0.16 C ATOM 656 O HIS A 43 -6.602 5.400 7.537 1.00 0.16 O ATOM 657 CB HIS A 43 -3.440 6.368 7.653 1.00 0.23 C ATOM 658 CG HIS A 43 -3.795 5.918 9.034 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.216 4.809 9.626 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.704 6.397 9.936 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.784 4.656 10.836 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.700 5.599 11.075 1.00 0.31 N ATOM 0 H HIS A 43 -3.290 6.998 5.311 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.373 4.680 6.655 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.420 6.065 7.416 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.470 7.456 7.599 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.330 7.264 9.787 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.531 3.868 11.529 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.273 5.710 11.912 1.00 0.31 H new ATOM 670 N SER A 44 -6.266 7.360 6.629 1.00 0.15 N ATOM 671 CA SER A 44 -7.665 7.782 6.949 1.00 0.15 C ATOM 672 C SER A 44 -8.680 6.911 6.192 1.00 0.13 C ATOM 673 O SER A 44 -9.723 6.562 6.708 1.00 0.15 O ATOM 674 CB SER A 44 -7.880 9.248 6.576 1.00 0.18 C ATOM 675 OG SER A 44 -7.058 10.065 7.400 1.00 0.22 O ATOM 0 H SER A 44 -5.697 8.060 6.153 1.00 0.15 H new ATOM 0 HA SER A 44 -7.816 7.657 8.021 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.636 9.408 5.526 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.928 9.519 6.705 1.00 0.18 H new ATOM 0 HG SER A 44 -6.176 10.165 6.985 1.00 0.22 H new ATOM 681 N LEU A 45 -8.386 6.583 4.962 1.00 0.12 N ATOM 682 CA LEU A 45 -9.328 5.766 4.141 1.00 0.14 C ATOM 683 C LEU A 45 -9.583 4.406 4.794 1.00 0.13 C ATOM 684 O LEU A 45 -10.622 3.807 4.610 1.00 0.15 O ATOM 685 CB LEU A 45 -8.737 5.563 2.745 1.00 0.16 C ATOM 686 CG LEU A 45 -8.758 6.895 1.964 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.752 6.835 0.811 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.157 7.160 1.387 1.00 0.22 C ATOM 0 H LEU A 45 -7.524 6.849 4.486 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.278 6.296 4.070 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.714 5.194 2.824 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.308 4.807 2.206 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.493 7.699 2.651 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.770 7.777 0.263 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.752 6.666 1.209 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.017 6.019 0.139 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.152 8.103 0.840 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.431 6.350 0.711 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.881 7.216 2.200 1.00 0.22 H new ATOM 700 N SER A 46 -8.653 3.914 5.559 1.00 0.12 N ATOM 701 CA SER A 46 -8.858 2.592 6.217 1.00 0.12 C ATOM 702 C SER A 46 -10.209 2.591 6.915 1.00 0.14 C ATOM 703 O SER A 46 -10.903 1.595 6.948 1.00 0.16 O ATOM 704 CB SER A 46 -7.764 2.383 7.258 1.00 0.13 C ATOM 705 OG SER A 46 -6.500 2.381 6.613 1.00 0.14 O ATOM 0 H SER A 46 -7.761 4.367 5.758 1.00 0.12 H new ATOM 0 HA SER A 46 -8.823 1.796 5.473 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.802 3.174 8.007 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.920 1.440 7.782 1.00 0.13 H new ATOM 0 HG SER A 46 -6.111 3.279 6.654 1.00 0.14 H new ATOM 711 N GLU A 47 -10.585 3.693 7.492 1.00 0.15 N ATOM 712 CA GLU A 47 -11.899 3.750 8.183 1.00 0.18 C ATOM 713 C GLU A 47 -12.975 4.140 7.171 1.00 0.18 C ATOM 714 O GLU A 47 -14.152 3.956 7.407 1.00 0.21 O ATOM 715 CB GLU A 47 -11.846 4.788 9.306 1.00 0.22 C ATOM 716 CG GLU A 47 -10.937 4.274 10.425 1.00 0.23 C ATOM 717 CD GLU A 47 -9.476 4.337 9.965 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.209 5.017 8.990 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.651 3.696 10.596 1.00 2.16 O ATOM 0 H GLU A 47 -10.041 4.556 7.516 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.133 2.775 8.611 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.470 5.737 8.923 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.848 4.975 9.692 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.073 4.876 11.324 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.204 3.249 10.684 1.00 0.23 H new ATOM 726 N LYS A 48 -12.588 4.672 6.035 1.00 0.17 N ATOM 727 CA LYS A 48 -13.617 5.050 5.026 1.00 0.19 C ATOM 728 C LYS A 48 -14.063 3.771 4.333 1.00 0.18 C ATOM 729 O LYS A 48 -15.219 3.590 4.009 1.00 0.21 O ATOM 730 CB LYS A 48 -13.046 6.025 3.995 1.00 0.20 C ATOM 731 CG LYS A 48 -14.179 6.509 3.091 1.00 0.30 C ATOM 732 CD LYS A 48 -13.610 7.406 1.994 1.00 0.82 C ATOM 733 CE LYS A 48 -14.746 7.914 1.107 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.178 8.725 -0.005 1.00 1.78 N ATOM 0 H LYS A 48 -11.621 4.857 5.770 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.454 5.546 5.517 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.576 6.871 4.496 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.273 5.536 3.402 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.694 5.657 2.648 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.917 7.057 3.677 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.078 8.247 2.438 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.887 6.852 1.395 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.313 7.074 0.707 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.440 8.516 1.694 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -14.949 9.072 -0.610 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.655 9.534 0.387 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.533 8.136 -0.570 1.00 1.78 H new ATOM 748 N TYR A 49 -13.138 2.865 4.134 1.00 0.16 N ATOM 749 CA TYR A 49 -13.460 1.548 3.504 1.00 0.17 C ATOM 750 C TYR A 49 -12.994 0.462 4.464 1.00 0.16 C ATOM 751 O TYR A 49 -12.049 -0.259 4.208 1.00 0.16 O ATOM 752 CB TYR A 49 -12.721 1.399 2.164 1.00 0.17 C ATOM 753 CG TYR A 49 -13.214 2.439 1.180 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.500 2.332 0.635 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.389 3.509 0.815 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.960 3.295 -0.274 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.849 4.471 -0.094 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.133 4.364 -0.638 1.00 0.21 C ATOM 759 OH TYR A 49 -14.583 5.311 -1.537 1.00 0.25 O ATOM 0 H TYR A 49 -12.157 2.985 4.386 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.530 1.472 3.311 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.648 1.512 2.317 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.882 0.400 1.760 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.138 1.507 0.915 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.397 3.593 1.234 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.952 3.212 -0.693 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.211 5.296 -0.375 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.999 6.098 -1.503 1.00 0.25 H new ATOM 769 N SER A 50 -13.663 0.347 5.578 1.00 0.17 N ATOM 770 CA SER A 50 -13.286 -0.671 6.587 1.00 0.18 C ATOM 771 C SER A 50 -13.523 -2.060 5.995 1.00 0.19 C ATOM 772 O SER A 50 -13.124 -3.063 6.555 1.00 0.21 O ATOM 773 CB SER A 50 -14.141 -0.471 7.835 1.00 0.20 C ATOM 774 OG SER A 50 -15.484 -0.847 7.551 1.00 0.22 O ATOM 0 H SER A 50 -14.465 0.925 5.831 1.00 0.17 H new ATOM 0 HA SER A 50 -12.235 -0.573 6.858 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.750 -1.070 8.657 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.103 0.571 8.153 1.00 0.20 H new ATOM 0 HG SER A 50 -16.035 -0.721 8.351 1.00 0.22 H new ATOM 780 N ASN A 51 -14.155 -2.120 4.850 1.00 0.20 N ATOM 781 CA ASN A 51 -14.408 -3.439 4.198 1.00 0.23 C ATOM 782 C ASN A 51 -13.236 -3.743 3.263 1.00 0.19 C ATOM 783 O ASN A 51 -13.268 -4.674 2.484 1.00 0.22 O ATOM 784 CB ASN A 51 -15.707 -3.375 3.382 1.00 0.32 C ATOM 785 CG ASN A 51 -16.164 -4.795 3.030 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.546 -5.556 3.898 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.144 -5.189 1.784 1.00 0.27 N ATOM 0 H ASN A 51 -14.507 -1.311 4.339 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.504 -4.218 4.955 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.482 -2.864 3.953 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.548 -2.797 2.472 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.448 -6.132 1.542 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.824 -4.553 1.053 1.00 0.27 H new ATOM 794 N VAL A 52 -12.193 -2.954 3.361 1.00 0.21 N ATOM 795 CA VAL A 52 -10.973 -3.152 2.519 1.00 0.17 C ATOM 796 C VAL A 52 -9.759 -3.174 3.455 1.00 0.13 C ATOM 797 O VAL A 52 -9.756 -2.504 4.469 1.00 0.14 O ATOM 798 CB VAL A 52 -10.845 -1.999 1.512 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.457 -2.024 0.850 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.927 -2.148 0.436 1.00 0.24 C ATOM 0 H VAL A 52 -12.136 -2.164 4.004 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.037 -4.087 1.962 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.969 -1.051 2.035 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.378 -1.202 0.138 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.687 -1.917 1.614 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.320 -2.971 0.327 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.841 -1.332 -0.282 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.799 -3.100 -0.079 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.911 -2.118 0.903 1.00 0.24 H new ATOM 810 N ILE A 53 -8.738 -3.941 3.153 1.00 0.11 N ATOM 811 CA ILE A 53 -7.547 -3.994 4.072 1.00 0.09 C ATOM 812 C ILE A 53 -6.417 -3.117 3.510 1.00 0.09 C ATOM 813 O ILE A 53 -5.950 -3.330 2.407 1.00 0.12 O ATOM 814 CB ILE A 53 -7.064 -5.445 4.170 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.260 -6.362 4.471 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.020 -5.579 5.292 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.044 -5.847 5.683 1.00 0.15 C ATOM 0 H ILE A 53 -8.674 -4.528 2.321 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.827 -3.625 5.059 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.608 -5.734 3.223 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.915 -6.411 3.601 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.908 -7.376 4.663 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.683 -6.614 5.354 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.169 -4.932 5.077 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.467 -5.286 6.242 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.887 -6.510 5.880 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.391 -5.822 6.555 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.413 -4.842 5.477 1.00 0.15 H new ATOM 829 N PHE A 54 -5.969 -2.133 4.264 1.00 0.08 N ATOM 830 CA PHE A 54 -4.860 -1.234 3.776 1.00 0.09 C ATOM 831 C PHE A 54 -3.532 -1.625 4.447 1.00 0.09 C ATOM 832 O PHE A 54 -3.419 -1.632 5.657 1.00 0.12 O ATOM 833 CB PHE A 54 -5.165 0.225 4.149 1.00 0.10 C ATOM 834 CG PHE A 54 -6.353 0.748 3.370 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.641 0.335 3.716 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.170 1.662 2.317 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.750 0.829 3.017 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.282 2.153 1.614 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.569 1.736 1.967 1.00 0.10 C ATOM 0 H PHE A 54 -6.322 -1.913 5.195 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.784 -1.341 2.694 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.367 0.296 5.218 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.292 0.846 3.947 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.783 -0.367 4.524 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.175 1.986 2.049 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.745 0.510 3.289 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.143 2.852 0.802 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.425 2.115 1.428 1.00 0.10 H new ATOM 849 N LEU A 55 -2.514 -1.920 3.663 1.00 0.09 N ATOM 850 CA LEU A 55 -1.173 -2.288 4.238 1.00 0.11 C ATOM 851 C LEU A 55 -0.182 -1.161 3.951 1.00 0.10 C ATOM 852 O LEU A 55 -0.185 -0.569 2.890 1.00 0.10 O ATOM 853 CB LEU A 55 -0.602 -3.575 3.594 1.00 0.12 C ATOM 854 CG LEU A 55 -1.354 -4.841 4.039 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.865 -4.655 3.920 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.915 -6.015 3.153 1.00 0.22 C ATOM 0 H LEU A 55 -2.556 -1.921 2.644 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.310 -2.452 5.307 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.654 -3.488 2.509 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.452 -3.672 3.856 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.117 -5.040 5.084 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.370 -5.566 4.241 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.180 -3.824 4.551 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.125 -4.443 2.883 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.442 -6.919 3.459 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.150 -5.793 2.112 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.159 -6.168 3.258 1.00 0.22 H new ATOM 868 N GLU A 56 0.688 -0.895 4.886 1.00 0.12 N ATOM 869 CA GLU A 56 1.728 0.157 4.699 1.00 0.13 C ATOM 870 C GLU A 56 3.071 -0.558 4.650 1.00 0.13 C ATOM 871 O GLU A 56 3.349 -1.403 5.479 1.00 0.14 O ATOM 872 CB GLU A 56 1.698 1.136 5.876 1.00 0.15 C ATOM 873 CG GLU A 56 2.654 2.300 5.591 1.00 0.17 C ATOM 874 CD GLU A 56 2.753 3.216 6.818 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.754 3.824 7.166 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.831 3.297 7.384 1.00 1.13 O ATOM 0 H GLU A 56 0.723 -1.371 5.788 1.00 0.12 H new ATOM 0 HA GLU A 56 1.553 0.725 3.785 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.685 1.510 6.027 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.990 0.627 6.795 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.641 1.915 5.335 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.300 2.869 4.731 1.00 0.17 H new ATOM 883 N VAL A 57 3.893 -0.278 3.668 1.00 0.12 N ATOM 884 CA VAL A 57 5.205 -0.998 3.557 1.00 0.12 C ATOM 885 C VAL A 57 6.375 -0.009 3.482 1.00 0.11 C ATOM 886 O VAL A 57 6.347 0.962 2.751 1.00 0.13 O ATOM 887 CB VAL A 57 5.175 -1.857 2.297 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.458 -2.675 2.214 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.975 -2.801 2.363 1.00 0.14 C ATOM 0 H VAL A 57 3.715 0.414 2.940 1.00 0.12 H new ATOM 0 HA VAL A 57 5.350 -1.618 4.442 1.00 0.12 H new ATOM 0 HB VAL A 57 5.093 -1.219 1.417 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.440 -3.290 1.314 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.316 -2.004 2.177 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.537 -3.317 3.091 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.948 -3.418 1.465 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.064 -3.441 3.241 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.057 -2.218 2.431 1.00 0.14 H new ATOM 899 N ASP A 58 7.410 -0.268 4.242 1.00 0.10 N ATOM 900 CA ASP A 58 8.611 0.618 4.250 1.00 0.09 C ATOM 901 C ASP A 58 9.676 -0.003 3.354 1.00 0.09 C ATOM 902 O ASP A 58 10.145 -1.091 3.607 1.00 0.09 O ATOM 903 CB ASP A 58 9.157 0.680 5.670 1.00 0.10 C ATOM 904 CG ASP A 58 10.224 1.774 5.763 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.700 2.199 4.724 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.543 2.169 6.873 1.00 1.02 O ATOM 0 H ASP A 58 7.472 -1.071 4.868 1.00 0.10 H new ATOM 0 HA ASP A 58 8.349 1.615 3.898 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.349 0.885 6.372 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.584 -0.283 5.948 1.00 0.10 H new ATOM 911 N VAL A 59 10.086 0.671 2.331 1.00 0.09 N ATOM 912 CA VAL A 59 11.132 0.087 1.458 1.00 0.10 C ATOM 913 C VAL A 59 12.445 0.046 2.223 1.00 0.11 C ATOM 914 O VAL A 59 13.372 -0.645 1.851 1.00 0.12 O ATOM 915 CB VAL A 59 11.293 0.950 0.214 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.956 1.000 -0.522 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.712 2.366 0.615 1.00 0.16 C ATOM 0 H VAL A 59 9.748 1.594 2.059 1.00 0.09 H new ATOM 0 HA VAL A 59 10.847 -0.922 1.161 1.00 0.10 H new ATOM 0 HB VAL A 59 12.060 0.526 -0.434 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.056 1.615 -1.416 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.660 -0.009 -0.807 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.197 1.430 0.131 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.826 2.979 -0.279 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.949 2.802 1.259 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.660 2.327 1.151 1.00 0.16 H new ATOM 927 N ASP A 60 12.542 0.803 3.283 1.00 0.10 N ATOM 928 CA ASP A 60 13.810 0.824 4.065 1.00 0.12 C ATOM 929 C ASP A 60 13.767 -0.201 5.208 1.00 0.13 C ATOM 930 O ASP A 60 14.742 -0.880 5.467 1.00 0.15 O ATOM 931 CB ASP A 60 13.993 2.230 4.630 1.00 0.14 C ATOM 932 CG ASP A 60 14.531 3.149 3.530 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.734 3.601 2.728 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.729 3.381 3.507 1.00 1.08 O ATOM 0 H ASP A 60 11.800 1.406 3.640 1.00 0.10 H new ATOM 0 HA ASP A 60 14.645 0.560 3.416 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.043 2.610 5.006 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.684 2.209 5.473 1.00 0.14 H new ATOM 939 N ASP A 61 12.648 -0.345 5.880 1.00 0.13 N ATOM 940 CA ASP A 61 12.558 -1.354 6.991 1.00 0.15 C ATOM 941 C ASP A 61 11.890 -2.608 6.434 1.00 0.14 C ATOM 942 O ASP A 61 11.891 -3.662 7.040 1.00 0.19 O ATOM 943 CB ASP A 61 11.726 -0.795 8.155 1.00 0.16 C ATOM 944 CG ASP A 61 12.432 0.425 8.748 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.502 0.757 8.265 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.890 1.007 9.673 1.00 1.07 O ATOM 0 H ASP A 61 11.796 0.189 5.710 1.00 0.13 H new ATOM 0 HA ASP A 61 13.555 -1.585 7.366 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.732 -0.518 7.805 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.593 -1.559 8.921 1.00 0.16 H new ATOM 951 N ALA A 62 11.326 -2.483 5.262 1.00 0.11 N ATOM 952 CA ALA A 62 10.650 -3.632 4.592 1.00 0.12 C ATOM 953 C ALA A 62 11.238 -3.748 3.187 1.00 0.11 C ATOM 954 O ALA A 62 10.548 -3.990 2.216 1.00 0.12 O ATOM 955 CB ALA A 62 9.133 -3.377 4.533 1.00 0.14 C ATOM 0 H ALA A 62 11.305 -1.613 4.730 1.00 0.11 H new ATOM 0 HA ALA A 62 10.809 -4.560 5.141 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.642 -4.218 4.043 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.743 -3.268 5.545 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.939 -2.465 3.969 1.00 0.14 H new ATOM 961 N GLN A 63 12.514 -3.541 3.089 1.00 0.11 N ATOM 962 CA GLN A 63 13.190 -3.600 1.769 1.00 0.12 C ATOM 963 C GLN A 63 12.997 -4.986 1.163 1.00 0.12 C ATOM 964 O GLN A 63 12.986 -5.147 -0.037 1.00 0.14 O ATOM 965 CB GLN A 63 14.682 -3.304 1.961 1.00 0.13 C ATOM 966 CG GLN A 63 15.356 -4.457 2.714 1.00 0.15 C ATOM 967 CD GLN A 63 16.788 -4.060 3.072 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.597 -3.815 2.201 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.137 -3.990 4.326 1.00 1.43 N ATOM 0 H GLN A 63 13.127 -3.331 3.877 1.00 0.11 H new ATOM 0 HA GLN A 63 12.762 -2.860 1.093 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.160 -3.164 0.992 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.808 -2.374 2.516 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.795 -4.693 3.618 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.359 -5.356 2.098 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.456 -4.196 5.057 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.091 -3.729 4.576 1.00 1.43 H new ATOM 978 N ASP A 64 12.833 -5.987 1.979 1.00 0.13 N ATOM 979 CA ASP A 64 12.627 -7.353 1.437 1.00 0.13 C ATOM 980 C ASP A 64 11.294 -7.404 0.684 1.00 0.15 C ATOM 981 O ASP A 64 11.178 -8.039 -0.344 1.00 0.16 O ATOM 982 CB ASP A 64 12.615 -8.362 2.586 1.00 0.17 C ATOM 983 CG ASP A 64 11.635 -7.908 3.668 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.467 -7.767 3.356 1.00 1.02 O ATOM 985 OD2 ASP A 64 12.071 -7.706 4.789 1.00 1.05 O ATOM 0 H ASP A 64 12.833 -5.917 2.997 1.00 0.13 H new ATOM 0 HA ASP A 64 13.437 -7.602 0.752 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.329 -9.346 2.214 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.616 -8.459 3.007 1.00 0.17 H new ATOM 990 N VAL A 65 10.285 -6.735 1.184 1.00 0.17 N ATOM 991 CA VAL A 65 8.966 -6.754 0.490 1.00 0.22 C ATOM 992 C VAL A 65 9.071 -5.972 -0.820 1.00 0.22 C ATOM 993 O VAL A 65 8.579 -6.382 -1.853 1.00 0.26 O ATOM 994 CB VAL A 65 7.916 -6.060 1.368 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.518 -6.355 0.822 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.033 -6.549 2.812 1.00 0.32 C ATOM 0 H VAL A 65 10.319 -6.180 2.039 1.00 0.17 H new ATOM 0 HA VAL A 65 8.681 -7.788 0.298 1.00 0.22 H new ATOM 0 HB VAL A 65 8.087 -4.984 1.351 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.772 -5.862 1.446 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.440 -5.983 -0.199 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.344 -7.431 0.830 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.284 -6.050 3.427 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.872 -7.626 2.845 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.027 -6.319 3.195 1.00 0.32 H new ATOM 1006 N ALA A 66 9.701 -4.835 -0.766 1.00 0.19 N ATOM 1007 CA ALA A 66 9.842 -3.986 -1.975 1.00 0.22 C ATOM 1008 C ALA A 66 10.826 -4.619 -2.967 1.00 0.23 C ATOM 1009 O ALA A 66 10.628 -4.568 -4.166 1.00 0.26 O ATOM 1010 CB ALA A 66 10.346 -2.602 -1.551 1.00 0.25 C ATOM 0 H ALA A 66 10.130 -4.454 0.077 1.00 0.19 H new ATOM 0 HA ALA A 66 8.874 -3.896 -2.467 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.454 -1.969 -2.431 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.631 -2.149 -0.864 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.312 -2.702 -1.056 1.00 0.25 H new ATOM 1016 N SER A 67 11.894 -5.199 -2.484 1.00 0.21 N ATOM 1017 CA SER A 67 12.892 -5.810 -3.416 1.00 0.23 C ATOM 1018 C SER A 67 12.230 -6.926 -4.227 1.00 0.23 C ATOM 1019 O SER A 67 12.515 -7.113 -5.393 1.00 0.24 O ATOM 1020 CB SER A 67 14.063 -6.384 -2.614 1.00 0.23 C ATOM 1021 OG SER A 67 13.601 -7.450 -1.796 1.00 0.22 O ATOM 0 H SER A 67 12.119 -5.277 -1.492 1.00 0.21 H new ATOM 0 HA SER A 67 13.261 -5.043 -4.096 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.840 -6.741 -3.290 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.511 -5.605 -1.996 1.00 0.23 H new ATOM 0 HG SER A 67 12.686 -7.262 -1.499 1.00 0.22 H new ATOM 1027 N GLU A 68 11.338 -7.660 -3.627 1.00 0.23 N ATOM 1028 CA GLU A 68 10.652 -8.752 -4.370 1.00 0.25 C ATOM 1029 C GLU A 68 9.863 -8.155 -5.536 1.00 0.22 C ATOM 1030 O GLU A 68 9.762 -8.739 -6.596 1.00 0.24 O ATOM 1031 CB GLU A 68 9.690 -9.485 -3.426 1.00 0.29 C ATOM 1032 CG GLU A 68 9.143 -10.750 -4.104 1.00 0.32 C ATOM 1033 CD GLU A 68 8.078 -10.380 -5.144 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.560 -9.277 -5.072 1.00 2.06 O ATOM 1035 OE2 GLU A 68 7.797 -11.212 -5.992 1.00 1.96 O ATOM 0 H GLU A 68 11.054 -7.551 -2.653 1.00 0.23 H new ATOM 0 HA GLU A 68 11.393 -9.454 -4.752 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.207 -9.752 -2.504 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.867 -8.826 -3.151 1.00 0.29 H new ATOM 0 HG2 GLU A 68 9.956 -11.294 -4.584 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.714 -11.415 -3.355 1.00 0.32 H new ATOM 1042 N ALA A 69 9.276 -7.003 -5.335 1.00 0.20 N ATOM 1043 CA ALA A 69 8.462 -6.370 -6.417 1.00 0.20 C ATOM 1044 C ALA A 69 9.326 -5.483 -7.319 1.00 0.19 C ATOM 1045 O ALA A 69 8.832 -4.889 -8.256 1.00 0.20 O ATOM 1046 CB ALA A 69 7.365 -5.516 -5.785 1.00 0.23 C ATOM 0 H ALA A 69 9.325 -6.472 -4.466 1.00 0.20 H new ATOM 0 HA ALA A 69 8.029 -7.163 -7.026 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.768 -5.052 -6.570 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.725 -6.145 -5.166 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.818 -4.741 -5.167 1.00 0.23 H new ATOM 1052 N GLU A 70 10.595 -5.374 -7.044 1.00 0.18 N ATOM 1053 CA GLU A 70 11.472 -4.508 -7.892 1.00 0.18 C ATOM 1054 C GLU A 70 10.909 -3.094 -7.924 1.00 0.17 C ATOM 1055 O GLU A 70 10.704 -2.530 -8.979 1.00 0.18 O ATOM 1056 CB GLU A 70 11.544 -5.030 -9.330 1.00 0.22 C ATOM 1057 CG GLU A 70 12.101 -6.446 -9.337 1.00 0.24 C ATOM 1058 CD GLU A 70 13.573 -6.426 -8.924 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.190 -5.380 -9.048 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.061 -7.459 -8.490 1.00 2.02 O ATOM 0 H GLU A 70 11.066 -5.845 -6.271 1.00 0.18 H new ATOM 0 HA GLU A 70 12.472 -4.518 -7.459 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.552 -5.017 -9.781 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.176 -4.378 -9.932 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.530 -7.074 -8.653 1.00 0.24 H new ATOM 0 HG3 GLU A 70 11.999 -6.882 -10.331 1.00 0.24 H new ATOM 1067 N VAL A 71 10.645 -2.505 -6.794 1.00 0.15 N ATOM 1068 CA VAL A 71 10.078 -1.132 -6.829 1.00 0.14 C ATOM 1069 C VAL A 71 11.130 -0.187 -7.394 1.00 0.14 C ATOM 1070 O VAL A 71 12.276 -0.195 -6.987 1.00 0.16 O ATOM 1071 CB VAL A 71 9.707 -0.671 -5.421 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.982 0.673 -5.521 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.787 -1.705 -4.764 1.00 0.15 C ATOM 0 H VAL A 71 10.793 -2.904 -5.867 1.00 0.15 H new ATOM 0 HA VAL A 71 9.182 -1.130 -7.450 1.00 0.14 H new ATOM 0 HB VAL A 71 10.607 -0.564 -4.816 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.711 1.015 -4.522 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.638 1.406 -5.990 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.080 0.556 -6.122 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.525 -1.372 -3.760 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.880 -1.815 -5.358 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.301 -2.664 -4.706 1.00 0.15 H new ATOM 1083 N LYS A 72 10.747 0.617 -8.349 1.00 0.15 N ATOM 1084 CA LYS A 72 11.710 1.562 -8.966 1.00 0.16 C ATOM 1085 C LYS A 72 11.449 2.975 -8.439 1.00 0.15 C ATOM 1086 O LYS A 72 12.236 3.877 -8.649 1.00 0.16 O ATOM 1087 CB LYS A 72 11.514 1.528 -10.480 1.00 0.19 C ATOM 1088 CG LYS A 72 11.770 0.104 -11.009 1.00 0.23 C ATOM 1089 CD LYS A 72 13.272 -0.197 -11.056 1.00 0.74 C ATOM 1090 CE LYS A 72 13.486 -1.478 -11.860 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.944 -1.742 -12.004 1.00 1.60 N ATOM 0 H LYS A 72 9.801 0.657 -8.728 1.00 0.15 H new ATOM 0 HA LYS A 72 12.732 1.277 -8.717 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.501 1.842 -10.732 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.195 2.232 -10.960 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.269 -0.622 -10.369 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.342 -0.001 -12.006 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.810 0.632 -11.515 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.667 -0.313 -10.047 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.002 -2.317 -11.361 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.025 -1.383 -12.843 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.086 -2.615 -12.552 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.394 -0.945 -12.499 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.372 -1.851 -11.062 1.00 1.60 H new ATOM 1105 N ALA A 73 10.354 3.185 -7.754 1.00 0.13 N ATOM 1106 CA ALA A 73 10.080 4.553 -7.229 1.00 0.13 C ATOM 1107 C ALA A 73 9.001 4.516 -6.139 1.00 0.11 C ATOM 1108 O ALA A 73 8.149 3.650 -6.115 1.00 0.12 O ATOM 1109 CB ALA A 73 9.618 5.446 -8.387 1.00 0.14 C ATOM 0 H ALA A 73 9.649 2.480 -7.539 1.00 0.13 H new ATOM 0 HA ALA A 73 10.993 4.953 -6.788 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.415 6.450 -8.014 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.400 5.492 -9.145 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.711 5.032 -8.826 1.00 0.14 H new ATOM 1115 N THR A 74 9.023 5.485 -5.256 1.00 0.11 N ATOM 1116 CA THR A 74 7.998 5.572 -4.166 1.00 0.11 C ATOM 1117 C THR A 74 7.442 7.006 -4.191 1.00 0.12 C ATOM 1118 O THR A 74 8.134 7.902 -4.612 1.00 0.15 O ATOM 1119 CB THR A 74 8.691 5.333 -2.810 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.525 6.439 -2.508 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.547 4.069 -2.872 1.00 0.14 C ATOM 0 H THR A 74 9.718 6.231 -5.244 1.00 0.11 H new ATOM 0 HA THR A 74 7.207 4.835 -4.306 1.00 0.11 H new ATOM 0 HB THR A 74 7.929 5.215 -2.039 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.966 6.290 -1.645 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.032 3.910 -1.909 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.915 3.212 -3.106 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.306 4.181 -3.646 1.00 0.14 H new ATOM 1129 N PRO A 75 6.246 7.258 -3.703 1.00 0.13 N ATOM 1130 CA PRO A 75 5.332 6.211 -3.166 1.00 0.10 C ATOM 1131 C PRO A 75 4.668 5.407 -4.287 1.00 0.09 C ATOM 1132 O PRO A 75 4.272 5.953 -5.299 1.00 0.10 O ATOM 1133 CB PRO A 75 4.304 7.058 -2.390 1.00 0.12 C ATOM 1134 CG PRO A 75 4.379 8.492 -2.938 1.00 0.15 C ATOM 1135 CD PRO A 75 5.722 8.653 -3.669 1.00 0.16 C ATOM 0 HA PRO A 75 5.835 5.460 -2.557 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.300 6.652 -2.515 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.523 7.044 -1.322 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.550 8.683 -3.619 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.298 9.215 -2.126 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.591 9.061 -4.671 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.395 9.325 -3.137 1.00 0.16 H new ATOM 1143 N THR A 76 4.521 4.121 -4.103 1.00 0.09 N ATOM 1144 CA THR A 76 3.856 3.273 -5.143 1.00 0.09 C ATOM 1145 C THR A 76 2.759 2.458 -4.478 1.00 0.10 C ATOM 1146 O THR A 76 2.940 1.902 -3.411 1.00 0.12 O ATOM 1147 CB THR A 76 4.870 2.340 -5.805 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.887 3.122 -6.413 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.164 1.499 -6.871 1.00 0.13 C ATOM 0 H THR A 76 4.834 3.617 -3.273 1.00 0.09 H new ATOM 0 HA THR A 76 3.430 3.914 -5.915 1.00 0.09 H new ATOM 0 HB THR A 76 5.311 1.680 -5.058 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.681 3.130 -5.839 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.885 0.833 -7.345 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.375 0.908 -6.405 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.728 2.156 -7.623 1.00 0.13 H new ATOM 1157 N PHE A 77 1.614 2.403 -5.094 1.00 0.10 N ATOM 1158 CA PHE A 77 0.473 1.637 -4.511 1.00 0.10 C ATOM 1159 C PHE A 77 0.242 0.382 -5.348 1.00 0.10 C ATOM 1160 O PHE A 77 0.098 0.451 -6.551 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.785 2.512 -4.555 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.542 3.774 -3.765 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.752 3.790 -2.380 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.102 4.934 -4.420 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.524 4.966 -1.652 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.126 6.109 -3.693 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.085 6.125 -2.307 1.00 0.19 C ATOM 0 H PHE A 77 1.415 2.859 -5.984 1.00 0.10 H new ATOM 0 HA PHE A 77 0.694 1.359 -3.481 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.035 2.758 -5.587 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.635 1.968 -4.142 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.089 2.897 -1.874 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.061 4.921 -5.488 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.687 4.979 -0.584 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.464 7.001 -4.199 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.091 7.030 -1.744 1.00 0.19 H new ATOM 1177 N GLN A 78 0.176 -0.765 -4.715 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.075 -2.041 -5.454 1.00 0.09 C ATOM 1179 C GLN A 78 -1.339 -2.659 -4.887 1.00 0.08 C ATOM 1180 O GLN A 78 -1.582 -2.627 -3.696 1.00 0.09 O ATOM 1181 CB GLN A 78 1.097 -3.012 -5.275 1.00 0.09 C ATOM 1182 CG GLN A 78 2.316 -2.509 -6.049 1.00 0.12 C ATOM 1183 CD GLN A 78 3.463 -3.508 -5.897 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.248 -4.641 -5.519 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.681 -3.134 -6.175 1.00 0.29 N ATOM 0 H GLN A 78 0.287 -0.871 -3.707 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.182 -1.838 -6.519 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.342 -3.108 -4.217 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.815 -4.004 -5.628 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.065 -2.384 -7.102 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.619 -1.531 -5.675 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.862 -2.182 -6.493 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.452 -3.794 -6.075 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.154 -3.207 -5.740 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.436 -3.821 -5.282 1.00 0.07 C ATOM 1196 C PHE A 79 -3.353 -5.334 -5.366 1.00 0.07 C ATOM 1197 O PHE A 79 -2.904 -5.886 -6.348 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.571 -3.318 -6.179 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.758 -1.842 -5.933 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.891 -0.921 -6.527 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.782 -1.396 -5.090 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -4.048 0.446 -6.283 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.938 -0.028 -4.842 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.071 0.894 -5.438 1.00 0.12 C ATOM 0 H PHE A 79 -1.989 -3.258 -6.745 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.624 -3.540 -4.246 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.334 -3.500 -7.227 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.493 -3.858 -5.962 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.099 -1.266 -7.175 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.452 -2.108 -4.631 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.380 1.157 -6.746 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.728 0.316 -4.191 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.190 1.950 -5.247 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.806 -6.003 -4.338 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.795 -7.491 -4.321 1.00 0.08 C ATOM 1216 C PHE A 80 -5.190 -7.996 -4.000 1.00 0.09 C ATOM 1217 O PHE A 80 -5.928 -7.385 -3.253 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.818 -7.993 -3.258 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.404 -7.730 -3.703 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.780 -6.505 -3.415 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.704 -8.728 -4.393 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.538 -6.287 -3.822 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.615 -8.508 -4.794 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.237 -7.288 -4.509 1.00 0.15 C ATOM 0 H PHE A 80 -4.189 -5.571 -3.497 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.482 -7.860 -5.297 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -3.010 -7.493 -2.309 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.964 -9.060 -3.091 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.317 -5.735 -2.881 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.185 -9.669 -4.615 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.019 -5.345 -3.607 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.155 -9.279 -5.324 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.257 -7.117 -4.819 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.552 -9.120 -4.547 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.897 -9.686 -4.270 1.00 0.12 C ATOM 1236 C LYS A 81 -6.751 -11.200 -4.272 1.00 0.11 C ATOM 1237 O LYS A 81 -6.241 -11.774 -5.210 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.870 -9.252 -5.370 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.302 -9.537 -4.918 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.280 -9.278 -6.068 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.406 -7.772 -6.326 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.616 -7.514 -7.158 1.00 1.68 N ATOM 0 H LYS A 81 -4.971 -9.673 -5.177 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.284 -9.336 -3.313 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.748 -8.190 -5.581 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.655 -9.788 -6.294 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.387 -10.571 -4.584 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.555 -8.906 -4.066 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.933 -9.781 -6.970 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.257 -9.696 -5.825 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.479 -7.234 -5.381 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.515 -7.403 -6.835 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.058 -6.621 -6.860 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.341 -7.447 -8.159 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.294 -8.293 -7.036 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.156 -11.845 -3.219 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.005 -13.324 -3.145 1.00 0.13 C ATOM 1258 C LYS A 82 -5.517 -13.660 -3.309 1.00 0.13 C ATOM 1259 O LYS A 82 -5.160 -14.726 -3.769 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.814 -14.023 -4.255 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.319 -13.812 -4.046 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.097 -14.885 -4.819 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.602 -14.614 -4.728 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.922 -13.339 -5.431 1.00 1.22 N ATOM 0 H LYS A 82 -7.587 -11.412 -2.402 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.381 -13.676 -2.184 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.519 -13.631 -5.228 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.589 -15.089 -4.259 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.561 -13.866 -2.985 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.609 -12.819 -4.389 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.783 -14.891 -5.863 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.872 -15.871 -4.413 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.158 -15.438 -5.176 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.909 -14.553 -3.684 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.931 -13.325 -5.683 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.710 -12.535 -4.806 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.348 -13.266 -6.295 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.648 -12.753 -2.940 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.184 -13.010 -3.069 1.00 0.16 C ATOM 1280 C GLY A 83 -2.731 -12.765 -4.513 1.00 0.16 C ATOM 1281 O GLY A 83 -1.630 -13.117 -4.889 1.00 0.23 O ATOM 0 H GLY A 83 -4.892 -11.841 -2.553 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.632 -12.359 -2.391 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.960 -14.037 -2.779 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.576 -12.174 -5.324 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.212 -11.914 -6.758 1.00 0.15 C ATOM 1287 C GLN A 84 -3.088 -10.413 -7.008 1.00 0.12 C ATOM 1288 O GLN A 84 -3.950 -9.645 -6.642 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.315 -12.457 -7.679 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.557 -13.947 -7.413 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.311 -14.755 -7.764 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -3.275 -15.443 -8.764 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.287 -14.707 -6.966 1.00 2.07 N ATOM 0 H GLN A 84 -4.508 -11.858 -5.055 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.262 -12.407 -6.965 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.237 -11.899 -7.518 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.031 -12.310 -8.721 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.815 -14.099 -6.365 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.404 -14.296 -8.004 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.321 -14.128 -6.127 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.449 -15.248 -7.178 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.038 -9.995 -7.669 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.870 -8.541 -7.969 1.00 0.12 C ATOM 1304 C LYS A 85 -2.705 -8.199 -9.195 1.00 0.14 C ATOM 1305 O LYS A 85 -2.514 -8.760 -10.256 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.394 -8.245 -8.250 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.190 -6.736 -8.458 1.00 0.20 C ATOM 1308 CD LYS A 85 1.269 -6.455 -8.857 1.00 0.28 C ATOM 1309 CE LYS A 85 2.172 -6.492 -7.619 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.543 -6.038 -7.994 1.00 1.82 N ATOM 0 H LYS A 85 -1.291 -10.598 -8.014 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.197 -7.942 -7.119 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.220 -8.592 -7.419 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.068 -8.790 -9.136 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.865 -6.372 -9.233 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.436 -6.197 -7.543 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.604 -7.196 -9.583 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.341 -5.480 -9.340 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.765 -5.849 -6.838 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.210 -7.503 -7.212 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 4.043 -5.706 -7.145 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 4.067 -6.830 -8.417 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.475 -5.261 -8.682 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.644 -7.296 -9.049 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.519 -6.913 -10.196 1.00 0.18 C ATOM 1326 C VAL A 86 -4.408 -5.411 -10.478 1.00 0.17 C ATOM 1327 O VAL A 86 -5.207 -4.861 -11.209 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.976 -7.269 -9.871 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.127 -8.790 -9.768 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.382 -6.644 -8.536 1.00 0.26 C ATOM 0 H VAL A 86 -3.841 -6.805 -8.177 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.196 -7.460 -11.082 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.615 -6.885 -10.666 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.163 -9.038 -9.537 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.847 -9.248 -10.716 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.479 -9.167 -8.977 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.417 -6.902 -8.313 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.735 -7.024 -7.745 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.283 -5.560 -8.597 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.437 -4.726 -9.919 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.341 -3.262 -10.213 1.00 0.17 C ATOM 1342 C GLY A 87 -2.155 -2.602 -9.499 1.00 0.12 C ATOM 1343 O GLY A 87 -1.688 -3.057 -8.474 1.00 0.17 O ATOM 0 H GLY A 87 -2.728 -5.104 -9.291 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.242 -3.115 -11.289 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.265 -2.771 -9.908 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.675 -1.513 -10.050 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.532 -0.784 -9.432 1.00 0.13 C ATOM 1349 C GLU A 88 -0.384 0.586 -10.078 1.00 0.11 C ATOM 1350 O GLU A 88 -0.674 0.768 -11.242 1.00 0.14 O ATOM 1351 CB GLU A 88 0.764 -1.580 -9.630 1.00 0.21 C ATOM 1352 CG GLU A 88 1.986 -0.753 -9.197 1.00 0.58 C ATOM 1353 CD GLU A 88 3.234 -1.630 -9.300 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.076 -2.830 -9.476 1.00 1.93 O ATOM 1355 OE2 GLU A 88 4.325 -1.091 -9.205 1.00 1.87 O ATOM 0 H GLU A 88 -2.033 -1.097 -10.910 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.725 -0.665 -8.366 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.721 -2.503 -9.052 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.865 -1.864 -10.677 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.090 0.128 -9.831 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.858 -0.397 -8.175 1.00 0.58 H new ATOM 1362 N PHE A 89 0.111 1.545 -9.344 1.00 0.10 N ATOM 1363 CA PHE A 89 0.336 2.888 -9.953 1.00 0.09 C ATOM 1364 C PHE A 89 1.260 3.705 -9.040 1.00 0.10 C ATOM 1365 O PHE A 89 1.417 3.401 -7.874 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.990 3.621 -10.180 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.571 4.141 -8.887 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -1.105 5.352 -8.369 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.591 3.444 -8.232 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.656 5.874 -7.193 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.141 3.961 -7.050 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.675 5.179 -6.531 1.00 0.14 C ATOM 0 H PHE A 89 0.367 1.460 -8.360 1.00 0.10 H new ATOM 0 HA PHE A 89 0.808 2.762 -10.927 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.833 4.452 -10.868 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.703 2.945 -10.653 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.317 5.887 -8.878 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.954 2.510 -8.635 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.295 6.812 -6.797 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.924 3.421 -6.538 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.102 5.579 -5.623 1.00 0.14 H new ATOM 1382 N SER A 90 1.886 4.730 -9.571 1.00 0.10 N ATOM 1383 CA SER A 90 2.826 5.573 -8.758 1.00 0.10 C ATOM 1384 C SER A 90 2.431 7.039 -8.837 1.00 0.09 C ATOM 1385 O SER A 90 1.720 7.458 -9.727 1.00 0.11 O ATOM 1386 CB SER A 90 4.247 5.442 -9.298 1.00 0.11 C ATOM 1387 OG SER A 90 4.272 5.866 -10.654 1.00 0.12 O ATOM 0 H SER A 90 1.785 5.022 -10.543 1.00 0.10 H new ATOM 0 HA SER A 90 2.776 5.227 -7.725 1.00 0.10 H new ATOM 0 HB2 SER A 90 4.932 6.046 -8.703 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.584 4.408 -9.221 1.00 0.11 H new ATOM 0 HG SER A 90 5.183 5.785 -11.005 1.00 0.12 H new ATOM 1393 N GLY A 91 2.909 7.826 -7.908 1.00 0.09 N ATOM 1394 CA GLY A 91 2.598 9.285 -7.904 1.00 0.09 C ATOM 1395 C GLY A 91 1.873 9.648 -6.617 1.00 0.10 C ATOM 1396 O GLY A 91 1.017 8.924 -6.147 1.00 0.12 O ATOM 0 H GLY A 91 3.508 7.515 -7.144 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.518 9.864 -7.991 1.00 0.09 H new ATOM 0 HA3 GLY A 91 1.980 9.538 -8.765 1.00 0.09 H new ATOM 1400 N ALA A 92 2.210 10.764 -6.034 1.00 0.11 N ATOM 1401 CA ALA A 92 1.541 11.163 -4.770 1.00 0.14 C ATOM 1402 C ALA A 92 0.130 11.667 -5.069 1.00 0.13 C ATOM 1403 O ALA A 92 -0.180 12.827 -4.875 1.00 0.17 O ATOM 1404 CB ALA A 92 2.340 12.294 -4.136 1.00 0.18 C ATOM 0 H ALA A 92 2.917 11.413 -6.378 1.00 0.11 H new ATOM 0 HA ALA A 92 1.486 10.307 -4.098 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.862 12.600 -3.205 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.354 11.951 -3.928 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.377 13.142 -4.820 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.732 10.786 -5.513 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.147 11.165 -5.814 1.00 0.14 C ATOM 1412 C ASN A 93 -3.082 10.348 -4.909 1.00 0.13 C ATOM 1413 O ASN A 93 -3.411 9.217 -5.202 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.436 10.844 -7.282 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.805 11.404 -7.658 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.274 11.215 -8.763 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.481 12.068 -6.766 1.00 0.75 N ATOM 0 H ASN A 93 -0.511 9.805 -5.682 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.306 12.228 -5.633 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.665 11.277 -7.920 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.414 9.766 -7.442 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.407 12.431 -6.994 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.085 12.225 -5.839 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.511 10.915 -3.811 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.417 10.178 -2.874 1.00 0.15 C ATOM 1426 C LYS A 94 -5.817 9.985 -3.472 1.00 0.15 C ATOM 1427 O LYS A 94 -6.468 8.994 -3.222 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.537 10.988 -1.587 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.902 12.462 -1.906 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.692 13.373 -1.670 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.118 14.826 -1.826 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.923 15.708 -1.688 1.00 1.06 N ATOM 0 H LYS A 94 -3.272 11.863 -3.520 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.993 9.192 -2.685 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.300 10.549 -0.944 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.596 10.951 -1.037 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.233 12.546 -2.941 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.734 12.782 -1.279 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.286 13.206 -0.672 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.900 13.136 -2.380 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.585 14.977 -2.799 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.862 15.082 -1.072 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.211 16.702 -1.794 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.496 15.570 -0.750 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.228 15.468 -2.424 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.291 10.911 -4.251 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.643 10.750 -4.839 1.00 0.15 C ATOM 1448 C GLU A 95 -7.637 9.520 -5.750 1.00 0.15 C ATOM 1449 O GLU A 95 -8.635 8.850 -5.928 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.981 11.994 -5.660 1.00 0.17 C ATOM 1451 CG GLU A 95 -8.071 13.230 -4.750 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.294 13.138 -3.827 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.132 12.281 -4.062 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.376 13.939 -2.904 1.00 1.55 O ATOM 0 H GLU A 95 -5.802 11.769 -4.505 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.386 10.623 -4.052 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.219 12.152 -6.423 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.928 11.848 -6.180 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.164 13.314 -4.152 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.136 14.132 -5.359 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.508 9.232 -6.330 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.387 8.060 -7.240 1.00 0.15 C ATOM 1463 C LYS A 96 -6.711 6.781 -6.470 1.00 0.14 C ATOM 1464 O LYS A 96 -7.309 5.861 -6.992 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.953 8.009 -7.750 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.808 6.994 -8.891 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.482 7.250 -9.642 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.700 8.273 -10.761 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.647 7.718 -11.771 1.00 1.45 N ATOM 0 H LYS A 96 -5.649 9.768 -6.210 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.081 8.149 -8.076 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.652 8.997 -8.098 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.283 7.741 -6.933 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.823 5.979 -8.494 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.650 7.080 -9.578 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.726 7.615 -8.947 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -3.106 6.316 -10.060 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.097 9.200 -10.347 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -2.749 8.516 -11.235 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -4.415 8.099 -12.710 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -4.567 6.681 -11.789 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -5.620 7.986 -11.519 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.320 6.723 -5.229 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.600 5.513 -4.413 1.00 0.13 C ATOM 1485 C LEU A 97 -8.105 5.297 -4.365 1.00 0.14 C ATOM 1486 O LEU A 97 -8.595 4.188 -4.368 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.121 5.748 -2.974 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.606 5.592 -2.865 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.172 6.107 -1.485 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.202 4.108 -3.038 1.00 0.19 C ATOM 0 H LEU A 97 -5.816 7.465 -4.744 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.091 4.654 -4.850 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.411 6.748 -2.650 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.611 5.041 -2.305 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.113 6.165 -3.651 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -3.092 6.006 -1.382 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.450 7.156 -1.384 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.666 5.525 -0.707 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.119 4.014 -2.958 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.677 3.509 -2.261 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.525 3.755 -4.017 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.831 6.366 -4.281 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.315 6.257 -4.179 1.00 0.15 C ATOM 1504 C GLU A 98 -10.900 5.607 -5.432 1.00 0.16 C ATOM 1505 O GLU A 98 -11.804 4.799 -5.352 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.896 7.665 -3.999 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.418 7.611 -3.787 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.138 7.339 -5.111 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.596 7.687 -6.145 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.228 6.794 -5.065 1.00 2.10 O ATOM 0 H GLU A 98 -8.465 7.318 -4.278 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.573 5.631 -3.325 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.423 8.151 -3.145 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.669 8.271 -4.876 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.663 6.830 -3.067 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.765 8.554 -3.365 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.428 5.974 -6.588 1.00 0.16 N ATOM 1518 CA ALA A 99 -11.000 5.387 -7.837 1.00 0.17 C ATOM 1519 C ALA A 99 -10.608 3.916 -8.001 1.00 0.16 C ATOM 1520 O ALA A 99 -11.414 3.096 -8.391 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.509 6.182 -9.047 1.00 0.19 C ATOM 0 H ALA A 99 -9.676 6.650 -6.726 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.086 5.441 -7.766 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.927 5.753 -9.958 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.829 7.220 -8.955 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.421 6.141 -9.092 1.00 0.19 H new ATOM 1527 N THR A 100 -9.377 3.572 -7.752 1.00 0.16 N ATOM 1528 CA THR A 100 -8.967 2.152 -7.948 1.00 0.16 C ATOM 1529 C THR A 100 -9.713 1.237 -6.968 1.00 0.15 C ATOM 1530 O THR A 100 -10.145 0.158 -7.323 1.00 0.15 O ATOM 1531 CB THR A 100 -7.460 2.018 -7.738 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.788 2.996 -8.523 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.030 0.622 -8.188 1.00 0.20 C ATOM 0 H THR A 100 -8.644 4.202 -7.425 1.00 0.16 H new ATOM 0 HA THR A 100 -9.220 1.851 -8.965 1.00 0.16 H new ATOM 0 HB THR A 100 -7.211 2.166 -6.687 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.821 2.914 -8.390 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.955 0.509 -8.045 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.556 -0.129 -7.598 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.272 0.489 -9.243 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.887 1.663 -5.748 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.622 0.817 -4.759 1.00 0.13 C ATOM 1543 C ILE A 101 -12.034 0.602 -5.277 1.00 0.14 C ATOM 1544 O ILE A 101 -12.524 -0.503 -5.340 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.676 1.566 -3.420 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.265 1.611 -2.805 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.637 0.853 -2.453 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.174 2.761 -1.795 1.00 0.16 C ATOM 0 H ILE A 101 -9.554 2.558 -5.391 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.124 -0.143 -4.622 1.00 0.13 H new ATOM 0 HB ILE A 101 -11.036 2.581 -3.591 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.043 0.664 -2.313 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.521 1.745 -3.590 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.668 1.393 -1.507 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.636 0.826 -2.887 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.289 -0.165 -2.279 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.174 2.788 -1.363 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.377 3.706 -2.300 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.907 2.608 -1.003 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.676 1.660 -5.672 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.051 1.538 -6.215 1.00 0.20 C ATOM 1562 C ASN A 102 -14.006 0.649 -7.456 1.00 0.19 C ATOM 1563 O ASN A 102 -14.932 -0.074 -7.756 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.577 2.928 -6.582 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.042 2.829 -7.010 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.359 2.201 -8.001 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.957 3.426 -6.295 1.00 0.55 N ATOM 0 H ASN A 102 -12.305 2.610 -5.642 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.715 1.096 -5.472 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.482 3.600 -5.729 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.980 3.352 -7.390 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.938 3.365 -6.568 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.691 3.953 -5.463 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.935 0.730 -8.193 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.805 -0.076 -9.435 1.00 0.18 C ATOM 1576 C GLU A 103 -12.689 -1.566 -9.092 1.00 0.16 C ATOM 1577 O GLU A 103 -13.222 -2.412 -9.783 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.539 0.365 -10.164 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.520 -0.250 -11.566 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.162 0.000 -12.228 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.204 0.221 -11.506 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -10.105 -0.035 -13.447 1.00 2.04 O ATOM 0 H GLU A 103 -12.135 1.328 -7.984 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.685 0.075 -10.061 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.505 1.452 -10.231 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.657 0.052 -9.606 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.713 -1.321 -11.505 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.315 0.183 -12.173 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.970 -1.892 -8.047 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.787 -3.328 -7.667 1.00 0.14 C ATOM 1591 C LEU A 104 -12.726 -3.716 -6.512 1.00 0.13 C ATOM 1592 O LEU A 104 -12.765 -4.862 -6.107 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.335 -3.542 -7.221 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.365 -3.216 -8.369 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.926 -3.338 -7.858 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.584 -4.190 -9.542 1.00 0.25 C ATOM 0 H LEU A 104 -11.500 -1.223 -7.438 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.021 -3.950 -8.531 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.116 -2.909 -6.361 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.195 -4.575 -6.901 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.548 -2.200 -8.719 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.232 -3.108 -8.667 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.771 -2.638 -7.037 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.750 -4.355 -7.506 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.892 -3.949 -10.349 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.407 -5.211 -9.205 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.608 -4.099 -9.904 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.479 -2.791 -5.968 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.387 -3.169 -4.842 1.00 0.15 C ATOM 1610 C VAL A 105 -15.450 -4.135 -5.373 1.00 0.16 C ATOM 1611 O VAL A 105 -15.903 -3.927 -6.484 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.071 -1.924 -4.239 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.195 -1.429 -5.160 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.661 -2.281 -2.867 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.785 -5.068 -4.663 1.00 1.08 O ATOM 0 H VAL A 105 -13.505 -1.810 -6.248 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.800 -3.644 -4.056 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.328 -1.133 -4.132 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.666 -0.551 -4.719 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.779 -1.168 -6.133 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.938 -2.217 -5.282 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.145 -1.403 -2.439 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.394 -3.079 -2.983 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.863 -2.615 -2.204 1.00 0.19 H new ATOM 1683 N LYS B 63 7.136 14.868 -5.928 1.00 0.19 N ATOM 1684 CA LYS B 63 5.945 13.976 -5.815 1.00 0.14 C ATOM 1685 C LYS B 63 6.419 12.527 -5.736 1.00 0.12 C ATOM 1686 O LYS B 63 5.682 11.643 -5.340 1.00 0.12 O ATOM 1687 CB LYS B 63 5.038 14.132 -7.043 1.00 0.17 C ATOM 1688 CG LYS B 63 4.542 15.580 -7.177 1.00 0.20 C ATOM 1689 CD LYS B 63 3.824 16.031 -5.892 1.00 0.40 C ATOM 1690 CE LYS B 63 2.853 17.175 -6.215 1.00 0.35 C ATOM 1691 NZ LYS B 63 2.173 17.629 -4.968 1.00 1.31 N ATOM 0 HA LYS B 63 5.384 14.247 -4.921 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.584 13.845 -7.942 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.186 13.458 -6.959 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.385 16.241 -7.380 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.863 15.660 -8.026 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.281 15.193 -5.454 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.554 16.359 -5.152 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.394 18.006 -6.668 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.113 16.841 -6.943 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.517 18.404 -5.193 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.643 16.836 -4.553 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.884 17.964 -4.287 1.00 1.31 H new ATOM 1705 N ILE B 64 7.644 12.289 -6.139 1.00 0.11 N ATOM 1706 CA ILE B 64 8.226 10.902 -6.111 1.00 0.11 C ATOM 1707 C ILE B 64 9.573 10.934 -5.372 1.00 0.10 C ATOM 1708 O ILE B 64 10.360 11.842 -5.552 1.00 0.11 O ATOM 1709 CB ILE B 64 8.492 10.409 -7.546 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.179 10.259 -8.327 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.211 9.056 -7.504 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.214 9.307 -7.600 1.00 0.15 C ATOM 0 H ILE B 64 8.278 13.006 -6.492 1.00 0.11 H new ATOM 0 HA ILE B 64 7.520 10.239 -5.611 1.00 0.11 H new ATOM 0 HB ILE B 64 9.117 11.147 -8.049 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.710 11.235 -8.449 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.387 9.878 -9.327 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.397 8.711 -8.521 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.160 9.164 -6.978 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.588 8.329 -6.983 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.291 9.217 -8.173 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.677 8.325 -7.501 1.00 0.15 H new ATOM 0 HD13 ILE B 64 5.989 9.703 -6.610 1.00 0.15 H new ATOM 1724 N CYS B 65 9.867 9.932 -4.570 1.00 0.09 N ATOM 1725 CA CYS B 65 11.193 9.891 -3.869 1.00 0.10 C ATOM 1726 C CYS B 65 12.120 8.976 -4.700 1.00 0.10 C ATOM 1727 O CYS B 65 11.796 7.835 -4.961 1.00 0.11 O ATOM 1728 CB CYS B 65 11.047 9.329 -2.439 1.00 0.10 C ATOM 1729 SG CYS B 65 9.557 9.990 -1.636 1.00 0.19 S ATOM 0 H CYS B 65 9.248 9.145 -4.372 1.00 0.09 H new ATOM 0 HA CYS B 65 11.603 10.897 -3.784 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.994 8.241 -2.475 1.00 0.10 H new ATOM 0 HB3 CYS B 65 11.928 9.586 -1.850 1.00 0.10 H new ATOM 1734 N SER B 66 13.251 9.475 -5.148 1.00 0.12 N ATOM 1735 CA SER B 66 14.171 8.640 -5.999 1.00 0.14 C ATOM 1736 C SER B 66 14.982 7.640 -5.155 1.00 0.14 C ATOM 1737 O SER B 66 15.453 7.949 -4.077 1.00 0.15 O ATOM 1738 CB SER B 66 15.149 9.559 -6.743 1.00 0.18 C ATOM 1739 OG SER B 66 14.419 10.453 -7.573 1.00 0.20 O ATOM 0 H SER B 66 13.578 10.423 -4.963 1.00 0.12 H new ATOM 0 HA SER B 66 13.554 8.078 -6.700 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.753 10.119 -6.029 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.836 8.965 -7.346 1.00 0.18 H new ATOM 0 HG SER B 66 15.042 11.042 -8.047 1.00 0.20 H new ATOM 1745 N TRP B 67 15.159 6.440 -5.657 1.00 0.15 N ATOM 1746 CA TRP B 67 15.949 5.411 -4.912 1.00 0.16 C ATOM 1747 C TRP B 67 17.440 5.740 -5.004 1.00 0.19 C ATOM 1748 O TRP B 67 18.255 5.177 -4.298 1.00 0.21 O ATOM 1749 CB TRP B 67 15.690 4.025 -5.517 1.00 0.16 C ATOM 1750 CG TRP B 67 14.287 3.615 -5.200 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.189 4.288 -5.596 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.805 2.467 -4.430 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.069 3.640 -5.118 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.398 2.517 -4.392 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.439 1.404 -3.767 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.651 1.556 -3.721 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.687 0.429 -3.094 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.295 0.509 -3.069 1.00 0.16 C ATOM 0 H TRP B 67 14.788 6.129 -6.555 1.00 0.15 H new ATOM 0 HA TRP B 67 15.644 5.411 -3.866 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.841 4.050 -6.596 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.396 3.299 -5.113 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.186 5.189 -6.191 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.113 3.955 -5.282 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.517 1.336 -3.775 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.573 1.622 -3.706 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.188 -0.386 -2.594 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.719 -0.239 -2.545 1.00 0.16 H new ATOM 1769 N ASN B 68 17.808 6.655 -5.866 1.00 0.23 N ATOM 1770 CA ASN B 68 19.247 7.023 -6.000 1.00 0.27 C ATOM 1771 C ASN B 68 19.805 7.316 -4.609 1.00 0.26 C ATOM 1772 O ASN B 68 21.002 7.392 -4.406 1.00 0.30 O ATOM 1773 CB ASN B 68 19.370 8.278 -6.876 1.00 0.34 C ATOM 1774 CG ASN B 68 18.911 7.951 -8.301 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.997 8.781 -9.187 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.420 6.770 -8.560 1.00 0.40 N ATOM 0 H ASN B 68 17.172 7.162 -6.482 1.00 0.23 H new ATOM 0 HA ASN B 68 19.803 6.207 -6.461 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.764 9.084 -6.463 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.402 8.628 -6.886 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.109 6.543 -9.504 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.348 6.074 -7.818 1.00 0.40 H new