USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 737 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 70 SER OG : rot 180:sc= -0.323 USER MOD Set 1.2: A 73 ASN : amide:sc= 0.911 K(o=2.6,f=-2.1!) USER MOD Set 1.3: A 75 TYR OH : rot -154:sc= 2 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.108 (180deg=-0.523) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.118 K(o=0.12,f=-0.71) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 18 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 70:sc= 0.385 USER MOD Single : A 31 TYR OH : rot 110:sc= -0.0347 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0654 (180deg=-0.463) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=0.000374 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.73) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.081 USER MOD Single : A 58 GLN : amide:sc= -1.82! C(o=-1.8!,f=-1.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 64 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.18) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 43:sc= 0.365 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00514 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.067 USER MOD Single : A 89 GLN : amide:sc= 0.597 K(o=0.6,f=-0.14) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 96 THR OG1 : rot -64:sc= 0.39 USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.12) USER MOD Single : A 101 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.146 -0.511 3.618 1.00 1.09 N ATOM 2 CA MET A 1 16.940 -1.050 4.286 1.00 0.39 C ATOM 3 C MET A 1 15.698 -0.303 3.822 1.00 0.30 C ATOM 4 O MET A 1 15.640 0.927 3.891 1.00 0.45 O ATOM 5 CB MET A 1 17.073 -0.932 5.806 1.00 1.38 C ATOM 6 CG MET A 1 15.928 -1.583 6.568 1.00 2.13 C ATOM 7 SD MET A 1 16.012 -1.282 8.346 1.00 3.23 S ATOM 8 CE MET A 1 17.621 -1.970 8.740 1.00 3.75 C ATOM 0 H1 MET A 1 18.985 -1.031 3.945 1.00 1.09 H new ATOM 0 H2 MET A 1 18.050 -0.620 2.588 1.00 1.09 H new ATOM 0 H3 MET A 1 18.251 0.497 3.851 1.00 1.09 H new ATOM 0 HA MET A 1 16.843 -2.102 4.018 1.00 0.39 H new ATOM 0 HB2 MET A 1 18.012 -1.389 6.117 1.00 1.38 H new ATOM 0 HB3 MET A 1 17.126 0.122 6.077 1.00 1.38 H new ATOM 0 HG2 MET A 1 14.981 -1.205 6.184 1.00 2.13 H new ATOM 0 HG3 MET A 1 15.940 -2.657 6.385 1.00 2.13 H new ATOM 0 HE1 MET A 1 17.699 -2.119 9.817 1.00 3.75 H new ATOM 0 HE2 MET A 1 17.742 -2.927 8.232 1.00 3.75 H new ATOM 0 HE3 MET A 1 18.401 -1.283 8.411 1.00 3.75 H new ATOM 20 N VAL A 2 14.709 -1.044 3.347 1.00 0.15 N ATOM 21 CA VAL A 2 13.456 -0.451 2.916 1.00 0.10 C ATOM 22 C VAL A 2 12.463 -0.406 4.086 1.00 0.09 C ATOM 23 O VAL A 2 12.543 -1.212 5.011 1.00 0.12 O ATOM 24 CB VAL A 2 12.835 -1.219 1.721 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.611 -0.502 1.217 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.833 -1.383 0.588 1.00 0.09 C ATOM 0 H VAL A 2 14.752 -2.059 3.251 1.00 0.15 H new ATOM 0 HA VAL A 2 13.670 0.564 2.582 1.00 0.10 H new ATOM 0 HB VAL A 2 12.554 -2.210 2.077 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.186 -1.053 0.378 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.874 -0.434 2.017 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.886 0.501 0.890 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.365 -1.926 -0.233 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.152 -0.401 0.239 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.699 -1.940 0.944 1.00 0.09 H new ATOM 36 N GLN A 3 11.555 0.558 4.037 1.00 0.09 N ATOM 37 CA GLN A 3 10.543 0.767 5.054 1.00 0.10 C ATOM 38 C GLN A 3 9.185 0.690 4.389 1.00 0.11 C ATOM 39 O GLN A 3 9.105 0.698 3.162 1.00 0.17 O ATOM 40 CB GLN A 3 10.705 2.141 5.696 1.00 0.16 C ATOM 41 CG GLN A 3 12.061 2.403 6.292 1.00 0.79 C ATOM 42 CD GLN A 3 12.514 1.341 7.279 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.701 0.711 7.957 1.00 1.37 O ATOM 44 NE2 GLN A 3 13.820 1.149 7.376 1.00 2.03 N ATOM 0 H GLN A 3 11.503 1.230 3.271 1.00 0.09 H new ATOM 0 HA GLN A 3 10.643 0.007 5.829 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.500 2.904 4.945 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.953 2.253 6.477 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.793 2.474 5.488 1.00 0.79 H new ATOM 0 HG3 GLN A 3 12.046 3.370 6.795 1.00 0.79 H new ATOM 0 HE21 GLN A 3 14.460 1.692 6.796 1.00 2.03 H new ATOM 0 HE22 GLN A 3 14.187 0.458 8.031 1.00 2.03 H new ATOM 53 N CYS A 4 8.118 0.609 5.160 1.00 0.12 N ATOM 54 CA CYS A 4 6.823 0.477 4.540 1.00 0.13 C ATOM 55 C CYS A 4 5.723 1.216 5.280 1.00 0.17 C ATOM 56 O CYS A 4 5.840 1.513 6.468 1.00 0.29 O ATOM 57 CB CYS A 4 6.490 -1.002 4.333 1.00 0.17 C ATOM 58 SG CYS A 4 6.199 -2.034 5.832 1.00 0.30 S ATOM 0 H CYS A 4 8.122 0.631 6.180 1.00 0.12 H new ATOM 0 HA CYS A 4 6.878 0.961 3.565 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.599 -1.061 3.708 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.306 -1.453 3.769 1.00 0.17 H new ATOM 63 N GLU A 5 4.682 1.543 4.524 1.00 0.14 N ATOM 64 CA GLU A 5 3.480 2.200 5.013 1.00 0.16 C ATOM 65 C GLU A 5 2.326 1.790 4.106 1.00 0.15 C ATOM 66 O GLU A 5 2.536 1.085 3.119 1.00 0.17 O ATOM 67 CB GLU A 5 3.608 3.732 4.990 1.00 0.24 C ATOM 68 CG GLU A 5 4.747 4.299 5.821 1.00 0.33 C ATOM 69 CD GLU A 5 4.559 4.116 7.314 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.397 4.113 7.773 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.568 3.961 8.036 1.00 1.87 O ATOM 0 H GLU A 5 4.652 1.351 3.523 1.00 0.14 H new ATOM 0 HA GLU A 5 3.313 1.899 6.047 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.738 4.054 3.957 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.672 4.164 5.343 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.679 3.821 5.519 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.850 5.362 5.604 1.00 0.33 H new ATOM 78 N VAL A 6 1.121 2.224 4.435 1.00 0.17 N ATOM 79 CA VAL A 6 -0.061 1.878 3.668 1.00 0.18 C ATOM 80 C VAL A 6 -1.035 3.040 3.615 1.00 0.21 C ATOM 81 O VAL A 6 -1.389 3.617 4.644 1.00 0.33 O ATOM 82 CB VAL A 6 -0.763 0.660 4.271 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.155 -0.628 3.740 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.661 0.713 5.787 1.00 0.20 C ATOM 0 H VAL A 6 0.936 2.824 5.239 1.00 0.17 H new ATOM 0 HA VAL A 6 0.265 1.641 2.655 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.814 0.678 3.983 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.669 -1.482 4.181 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.262 -0.661 2.656 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.902 -0.666 4.001 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.161 -0.155 6.216 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.388 0.709 6.081 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.137 1.623 6.152 1.00 0.20 H new ATOM 94 N GLU A 7 -1.466 3.388 2.412 1.00 0.16 N ATOM 95 CA GLU A 7 -2.325 4.548 2.229 1.00 0.16 C ATOM 96 C GLU A 7 -3.443 4.287 1.237 1.00 0.16 C ATOM 97 O GLU A 7 -3.260 3.620 0.221 1.00 0.28 O ATOM 98 CB GLU A 7 -1.513 5.750 1.745 1.00 0.26 C ATOM 99 CG GLU A 7 -0.080 5.749 2.227 1.00 0.24 C ATOM 100 CD GLU A 7 0.421 7.139 2.563 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.685 7.927 1.631 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.548 7.456 3.765 1.00 1.11 O ATOM 0 H GLU A 7 -1.237 2.888 1.553 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.768 4.759 3.202 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.520 5.767 0.655 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.000 6.665 2.082 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.003 5.114 3.109 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.558 5.312 1.459 1.00 0.24 H new ATOM 109 N ALA A 8 -4.598 4.836 1.538 1.00 0.14 N ATOM 110 CA ALA A 8 -5.714 4.802 0.626 1.00 0.12 C ATOM 111 C ALA A 8 -5.982 6.216 0.111 1.00 0.15 C ATOM 112 O ALA A 8 -6.174 7.141 0.898 1.00 0.17 O ATOM 113 CB ALA A 8 -6.925 4.248 1.339 1.00 0.13 C ATOM 0 H ALA A 8 -4.788 5.316 2.418 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.489 4.158 -0.224 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.771 4.221 0.652 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.710 3.239 1.690 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -7.169 4.884 2.190 1.00 0.13 H new ATOM 119 N ALA A 9 -5.996 6.382 -1.198 1.00 0.16 N ATOM 120 CA ALA A 9 -6.171 7.695 -1.800 1.00 0.19 C ATOM 121 C ALA A 9 -7.562 7.830 -2.392 1.00 0.19 C ATOM 122 O ALA A 9 -7.849 7.291 -3.456 1.00 0.20 O ATOM 123 CB ALA A 9 -5.115 7.919 -2.871 1.00 0.22 C ATOM 0 H ALA A 9 -5.888 5.622 -1.869 1.00 0.16 H new ATOM 0 HA ALA A 9 -6.055 8.453 -1.025 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.252 8.904 -3.317 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.123 7.859 -2.422 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.211 7.155 -3.642 1.00 0.22 H new ATOM 129 N VAL A 10 -8.424 8.564 -1.716 1.00 0.22 N ATOM 130 CA VAL A 10 -9.798 8.700 -2.161 1.00 0.23 C ATOM 131 C VAL A 10 -9.941 9.792 -3.209 1.00 0.27 C ATOM 132 O VAL A 10 -9.419 10.898 -3.055 1.00 0.33 O ATOM 133 CB VAL A 10 -10.762 8.984 -0.992 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.159 9.280 -1.519 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.789 7.802 -0.034 1.00 0.27 C ATOM 0 H VAL A 10 -8.200 9.073 -0.861 1.00 0.22 H new ATOM 0 HA VAL A 10 -10.068 7.742 -2.606 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.407 9.860 -0.449 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.829 9.479 -0.682 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.124 10.153 -2.171 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.525 8.421 -2.081 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.473 8.015 0.787 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -11.125 6.911 -0.565 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.788 7.632 0.363 1.00 0.27 H new ATOM 145 N SER A 11 -10.630 9.456 -4.279 1.00 0.29 N ATOM 146 CA SER A 11 -10.974 10.403 -5.315 1.00 0.36 C ATOM 147 C SER A 11 -12.492 10.419 -5.494 1.00 0.45 C ATOM 148 O SER A 11 -13.204 9.662 -4.830 1.00 0.63 O ATOM 149 CB SER A 11 -10.270 10.031 -6.613 1.00 0.45 C ATOM 150 OG SER A 11 -8.879 9.853 -6.395 1.00 1.22 O ATOM 0 H SER A 11 -10.969 8.510 -4.454 1.00 0.29 H new ATOM 0 HA SER A 11 -10.645 11.403 -5.031 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.700 9.114 -7.016 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.430 10.812 -7.356 1.00 0.45 H new ATOM 0 HG SER A 11 -8.444 9.613 -7.239 1.00 1.22 H new ATOM 156 N GLY A 12 -12.980 11.282 -6.375 1.00 0.45 N ATOM 157 CA GLY A 12 -14.412 11.426 -6.570 1.00 0.54 C ATOM 158 C GLY A 12 -15.073 10.184 -7.143 1.00 0.49 C ATOM 159 O GLY A 12 -15.198 10.042 -8.362 1.00 0.61 O ATOM 0 H GLY A 12 -12.407 11.889 -6.962 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.878 11.668 -5.615 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.597 12.267 -7.238 1.00 0.54 H new ATOM 163 N GLY A 13 -15.503 9.289 -6.262 1.00 0.45 N ATOM 164 CA GLY A 13 -16.213 8.096 -6.686 1.00 0.48 C ATOM 165 C GLY A 13 -15.347 6.850 -6.658 1.00 0.41 C ATOM 166 O GLY A 13 -15.854 5.731 -6.702 1.00 0.45 O ATOM 0 H GLY A 13 -15.371 9.369 -5.254 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -17.078 7.945 -6.040 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.593 8.246 -7.697 1.00 0.48 H new ATOM 170 N HIS A 14 -14.039 7.034 -6.558 1.00 0.34 N ATOM 171 CA HIS A 14 -13.110 5.910 -6.581 1.00 0.31 C ATOM 172 C HIS A 14 -12.011 6.113 -5.556 1.00 0.30 C ATOM 173 O HIS A 14 -11.618 7.237 -5.277 1.00 0.43 O ATOM 174 CB HIS A 14 -12.492 5.732 -7.971 1.00 0.34 C ATOM 175 CG HIS A 14 -13.421 5.132 -8.983 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.924 5.831 -10.059 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.921 3.879 -9.088 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.689 5.034 -10.780 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.705 3.845 -10.213 1.00 1.82 N ATOM 0 H HIS A 14 -13.596 7.948 -6.460 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.671 5.009 -6.334 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -12.155 6.703 -8.334 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.608 5.100 -7.885 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.737 3.058 -8.411 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.214 5.310 -11.683 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.217 3.032 -10.555 1.00 1.82 H new ATOM 188 N VAL A 15 -11.524 5.028 -4.993 1.00 0.23 N ATOM 189 CA VAL A 15 -10.458 5.102 -4.014 1.00 0.20 C ATOM 190 C VAL A 15 -9.246 4.314 -4.506 1.00 0.18 C ATOM 191 O VAL A 15 -9.321 3.113 -4.740 1.00 0.17 O ATOM 192 CB VAL A 15 -10.931 4.614 -2.615 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.545 3.220 -2.668 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.791 4.656 -1.610 1.00 0.17 C ATOM 0 H VAL A 15 -11.849 4.083 -5.196 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.166 6.146 -3.898 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.711 5.301 -2.288 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.860 2.923 -1.668 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.409 3.228 -3.333 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.806 2.511 -3.041 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.148 4.310 -0.640 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.982 4.010 -1.950 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.425 5.678 -1.518 1.00 0.17 H new ATOM 204 N THR A 16 -8.137 5.009 -4.685 1.00 0.17 N ATOM 205 CA THR A 16 -6.915 4.398 -5.175 1.00 0.16 C ATOM 206 C THR A 16 -6.032 4.028 -3.998 1.00 0.14 C ATOM 207 O THR A 16 -5.573 4.892 -3.266 1.00 0.15 O ATOM 208 CB THR A 16 -6.147 5.368 -6.092 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.951 5.720 -7.225 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.828 4.763 -6.549 1.00 0.19 C ATOM 0 H THR A 16 -8.058 6.008 -4.496 1.00 0.17 H new ATOM 0 HA THR A 16 -7.178 3.508 -5.746 1.00 0.16 H new ATOM 0 HB THR A 16 -5.925 6.269 -5.521 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.453 6.338 -7.800 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.308 5.470 -7.195 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.209 4.542 -5.680 1.00 0.19 H new ATOM 0 HG23 THR A 16 -5.021 3.843 -7.100 1.00 0.19 H new ATOM 218 N LEU A 17 -5.778 2.755 -3.826 1.00 0.12 N ATOM 219 CA LEU A 17 -5.092 2.296 -2.643 1.00 0.10 C ATOM 220 C LEU A 17 -3.706 1.773 -2.982 1.00 0.13 C ATOM 221 O LEU A 17 -3.544 1.031 -3.951 1.00 0.17 O ATOM 222 CB LEU A 17 -5.920 1.225 -1.978 1.00 0.11 C ATOM 223 CG LEU A 17 -5.842 1.221 -0.463 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.207 0.928 0.112 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.809 0.222 0.019 1.00 0.11 C ATOM 0 H LEU A 17 -6.034 2.021 -4.486 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.964 3.134 -1.958 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.961 1.351 -2.275 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.598 0.252 -2.349 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.525 2.205 -0.116 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.150 0.925 1.201 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.911 1.694 -0.213 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.547 -0.047 -0.236 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.770 0.236 1.108 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.082 -0.777 -0.322 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.831 0.487 -0.383 1.00 0.11 H new ATOM 237 N GLN A 18 -2.711 2.183 -2.195 1.00 0.15 N ATOM 238 CA GLN A 18 -1.330 1.775 -2.404 1.00 0.19 C ATOM 239 C GLN A 18 -0.606 1.666 -1.062 1.00 0.24 C ATOM 240 O GLN A 18 -1.154 2.016 -0.019 1.00 0.51 O ATOM 241 CB GLN A 18 -0.597 2.788 -3.279 1.00 0.32 C ATOM 242 CG GLN A 18 -1.311 3.147 -4.566 1.00 0.78 C ATOM 243 CD GLN A 18 -0.576 4.200 -5.367 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.652 4.272 -5.348 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.322 5.033 -6.071 1.00 1.77 N ATOM 0 H GLN A 18 -2.844 2.806 -1.398 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.335 0.805 -2.902 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.438 3.699 -2.702 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.388 2.390 -3.525 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.428 2.250 -5.174 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.313 3.507 -4.333 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.338 4.941 -6.061 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.882 5.768 -6.625 1.00 1.77 H new ATOM 254 N GLY A 19 0.622 1.176 -1.084 1.00 0.17 N ATOM 255 CA GLY A 19 1.427 1.161 0.122 1.00 0.18 C ATOM 256 C GLY A 19 2.701 1.967 -0.042 1.00 0.18 C ATOM 257 O GLY A 19 3.478 1.714 -0.960 1.00 0.19 O ATOM 0 H GLY A 19 1.077 0.789 -1.911 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.846 1.564 0.952 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.678 0.132 0.379 1.00 0.18 H new ATOM 261 N VAL A 20 2.923 2.936 0.839 1.00 0.17 N ATOM 262 CA VAL A 20 4.092 3.803 0.729 1.00 0.18 C ATOM 263 C VAL A 20 5.312 3.181 1.372 1.00 0.21 C ATOM 264 O VAL A 20 5.423 3.063 2.582 1.00 0.45 O ATOM 265 CB VAL A 20 3.852 5.200 1.330 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.169 5.920 1.599 1.00 0.24 C ATOM 267 CG2 VAL A 20 2.987 6.041 0.408 1.00 0.20 C ATOM 0 H VAL A 20 2.315 3.141 1.632 1.00 0.17 H new ATOM 0 HA VAL A 20 4.272 3.920 -0.340 1.00 0.18 H new ATOM 0 HB VAL A 20 3.332 5.063 2.278 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.966 6.903 2.023 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.765 5.338 2.302 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.719 6.034 0.665 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.830 7.024 0.852 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.484 6.153 -0.555 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.024 5.550 0.264 1.00 0.20 H new ATOM 277 N ILE A 21 6.222 2.797 0.530 1.00 0.13 N ATOM 278 CA ILE A 21 7.498 2.280 0.940 1.00 0.11 C ATOM 279 C ILE A 21 8.500 3.416 1.053 1.00 0.13 C ATOM 280 O ILE A 21 8.921 3.980 0.049 1.00 0.14 O ATOM 281 CB ILE A 21 7.992 1.262 -0.100 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.457 -0.108 0.228 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.507 1.217 -0.209 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.582 -1.033 -0.935 1.00 0.10 C ATOM 0 H ILE A 21 6.099 2.834 -0.482 1.00 0.13 H new ATOM 0 HA ILE A 21 7.397 1.793 1.910 1.00 0.11 H new ATOM 0 HB ILE A 21 7.614 1.588 -1.069 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.999 -0.517 1.081 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.410 -0.031 0.523 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.796 0.480 -0.959 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.880 2.198 -0.502 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.933 0.940 0.755 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.187 -2.012 -0.665 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.019 -0.635 -1.779 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.632 -1.129 -1.212 1.00 0.10 H new ATOM 296 N THR A 22 8.851 3.799 2.250 1.00 0.13 N ATOM 297 CA THR A 22 9.978 4.683 2.395 1.00 0.14 C ATOM 298 C THR A 22 11.220 3.845 2.292 1.00 0.14 C ATOM 299 O THR A 22 11.293 2.784 2.873 1.00 0.18 O ATOM 300 CB THR A 22 9.992 5.434 3.727 1.00 0.16 C ATOM 301 OG1 THR A 22 8.685 5.944 4.022 1.00 0.20 O ATOM 302 CG2 THR A 22 10.996 6.572 3.663 1.00 0.17 C ATOM 0 H THR A 22 8.390 3.524 3.117 1.00 0.13 H new ATOM 0 HA THR A 22 9.919 5.441 1.614 1.00 0.14 H new ATOM 0 HB THR A 22 10.283 4.746 4.520 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.706 6.421 4.878 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.003 7.105 4.614 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.990 6.170 3.465 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.717 7.259 2.864 1.00 0.17 H new ATOM 310 N ALA A 23 12.183 4.277 1.542 1.00 0.12 N ATOM 311 CA ALA A 23 13.376 3.491 1.408 1.00 0.12 C ATOM 312 C ALA A 23 14.559 4.312 1.827 1.00 0.14 C ATOM 313 O ALA A 23 14.796 5.357 1.271 1.00 0.16 O ATOM 314 CB ALA A 23 13.509 3.025 -0.018 1.00 0.11 C ATOM 0 H ALA A 23 12.173 5.153 1.020 1.00 0.12 H new ATOM 0 HA ALA A 23 13.325 2.612 2.050 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.415 2.428 -0.123 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.642 2.420 -0.285 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.566 3.889 -0.679 1.00 0.11 H new ATOM 320 N VAL A 24 15.292 3.846 2.814 1.00 0.16 N ATOM 321 CA VAL A 24 16.395 4.628 3.360 1.00 0.18 C ATOM 322 C VAL A 24 17.581 4.705 2.398 1.00 0.20 C ATOM 323 O VAL A 24 18.508 5.488 2.601 1.00 0.25 O ATOM 324 CB VAL A 24 16.858 4.072 4.719 1.00 0.22 C ATOM 325 CG1 VAL A 24 17.966 4.931 5.304 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.678 3.993 5.669 1.00 0.23 C ATOM 0 H VAL A 24 15.151 2.938 3.256 1.00 0.16 H new ATOM 0 HA VAL A 24 16.013 5.639 3.504 1.00 0.18 H new ATOM 0 HB VAL A 24 17.259 3.069 4.571 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.277 4.519 6.264 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.816 4.943 4.622 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.601 5.948 5.447 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.010 3.599 6.630 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.258 4.989 5.811 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.917 3.334 5.250 1.00 0.23 H new ATOM 336 N ARG A 25 17.557 3.917 1.337 1.00 0.21 N ATOM 337 CA ARG A 25 18.652 3.933 0.388 1.00 0.24 C ATOM 338 C ARG A 25 18.134 3.957 -1.047 1.00 0.23 C ATOM 339 O ARG A 25 17.182 3.250 -1.383 1.00 0.26 O ATOM 340 CB ARG A 25 19.556 2.738 0.632 1.00 0.33 C ATOM 341 CG ARG A 25 20.186 2.763 2.007 1.00 0.40 C ATOM 342 CD ARG A 25 21.306 3.773 2.084 1.00 0.73 C ATOM 343 NE ARG A 25 21.879 3.849 3.429 1.00 0.80 N ATOM 344 CZ ARG A 25 22.518 4.912 3.912 1.00 1.41 C ATOM 345 NH1 ARG A 25 22.679 5.992 3.159 1.00 2.18 N ATOM 346 NH2 ARG A 25 22.992 4.895 5.151 1.00 1.42 N ATOM 0 H ARG A 25 16.802 3.268 1.114 1.00 0.21 H new ATOM 0 HA ARG A 25 19.233 4.843 0.533 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.980 1.820 0.516 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.341 2.719 -0.124 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.427 3.002 2.752 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.570 1.772 2.250 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.086 3.505 1.371 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.931 4.754 1.793 1.00 0.73 H new ATOM 0 HE ARG A 25 21.782 3.034 4.035 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.313 6.009 2.207 1.00 2.18 H new ATOM 0 HH12 ARG A 25 23.169 6.805 3.532 1.00 2.18 H new ATOM 0 HH21 ARG A 25 22.867 4.067 5.734 1.00 1.42 H new ATOM 0 HH22 ARG A 25 23.482 5.710 5.521 1.00 1.42 H new ATOM 360 N ASP A 26 18.757 4.792 -1.878 1.00 0.23 N ATOM 361 CA ASP A 26 18.316 4.997 -3.254 1.00 0.25 C ATOM 362 C ASP A 26 18.771 3.855 -4.150 1.00 0.24 C ATOM 363 O ASP A 26 19.822 3.251 -3.929 1.00 0.32 O ATOM 364 CB ASP A 26 18.839 6.332 -3.806 1.00 0.31 C ATOM 365 CG ASP A 26 20.341 6.341 -4.015 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.085 6.524 -3.029 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.784 6.151 -5.165 1.00 1.54 O ATOM 0 H ASP A 26 19.576 5.341 -1.617 1.00 0.23 H new ATOM 0 HA ASP A 26 17.226 5.023 -3.248 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.345 6.545 -4.754 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.569 7.134 -3.118 1.00 0.31 H new ATOM 372 N GLY A 27 17.966 3.561 -5.153 1.00 0.24 N ATOM 373 CA GLY A 27 18.256 2.488 -6.067 1.00 0.26 C ATOM 374 C GLY A 27 16.986 1.780 -6.460 1.00 0.21 C ATOM 375 O GLY A 27 15.994 2.422 -6.797 1.00 0.23 O ATOM 0 H GLY A 27 17.099 4.060 -5.351 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.751 2.881 -6.955 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.946 1.782 -5.604 1.00 0.26 H new ATOM 379 N ALA A 28 16.997 0.468 -6.384 1.00 0.19 N ATOM 380 CA ALA A 28 15.820 -0.320 -6.693 1.00 0.18 C ATOM 381 C ALA A 28 15.719 -1.514 -5.758 1.00 0.24 C ATOM 382 O ALA A 28 16.728 -2.127 -5.406 1.00 0.45 O ATOM 383 CB ALA A 28 15.847 -0.777 -8.143 1.00 0.21 C ATOM 0 H ALA A 28 17.812 -0.080 -6.109 1.00 0.19 H new ATOM 0 HA ALA A 28 14.939 0.306 -6.548 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.955 -1.367 -8.355 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.871 0.094 -8.798 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.734 -1.386 -8.316 1.00 0.21 H new ATOM 389 N GLY A 29 14.505 -1.840 -5.355 1.00 0.15 N ATOM 390 CA GLY A 29 14.291 -2.960 -4.479 1.00 0.19 C ATOM 391 C GLY A 29 13.081 -3.746 -4.906 1.00 0.17 C ATOM 392 O GLY A 29 12.440 -3.410 -5.900 1.00 0.21 O ATOM 0 H GLY A 29 13.657 -1.341 -5.624 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.170 -3.605 -4.484 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.160 -2.608 -3.456 1.00 0.19 H new ATOM 396 N SER A 30 12.747 -4.771 -4.156 1.00 0.15 N ATOM 397 CA SER A 30 11.613 -5.603 -4.502 1.00 0.15 C ATOM 398 C SER A 30 10.663 -5.716 -3.323 1.00 0.13 C ATOM 399 O SER A 30 11.089 -5.878 -2.178 1.00 0.14 O ATOM 400 CB SER A 30 12.081 -6.980 -4.963 1.00 0.20 C ATOM 401 OG SER A 30 12.969 -7.572 -4.022 1.00 0.23 O ATOM 0 H SER A 30 13.240 -5.049 -3.307 1.00 0.15 H new ATOM 0 HA SER A 30 11.076 -5.137 -5.328 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.217 -7.629 -5.108 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.579 -6.892 -5.929 1.00 0.20 H new ATOM 0 HG SER A 30 12.473 -7.818 -3.214 1.00 0.23 H new ATOM 407 N TYR A 31 9.378 -5.617 -3.614 1.00 0.13 N ATOM 408 CA TYR A 31 8.352 -5.583 -2.589 1.00 0.11 C ATOM 409 C TYR A 31 7.000 -6.035 -3.146 1.00 0.13 C ATOM 410 O TYR A 31 6.762 -5.988 -4.354 1.00 0.18 O ATOM 411 CB TYR A 31 8.265 -4.182 -1.988 1.00 0.10 C ATOM 412 CG TYR A 31 8.937 -3.092 -2.806 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.363 -2.644 -3.985 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.129 -2.489 -2.381 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.945 -1.638 -4.722 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.712 -1.474 -3.117 1.00 0.09 C ATOM 417 CZ TYR A 31 10.117 -1.054 -4.285 1.00 0.11 C ATOM 418 OH TYR A 31 10.690 -0.039 -5.013 1.00 0.13 O ATOM 0 H TYR A 31 9.018 -5.558 -4.566 1.00 0.13 H new ATOM 0 HA TYR A 31 8.624 -6.282 -1.798 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.214 -3.923 -1.858 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.714 -4.200 -0.995 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.443 -3.092 -4.331 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.598 -2.822 -1.467 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.485 -1.306 -5.641 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.628 -1.014 -2.778 1.00 0.09 H new ATOM 0 HH TYR A 31 10.601 0.805 -4.524 1.00 0.13 H new ATOM 428 N LYS A 32 6.127 -6.475 -2.254 1.00 0.13 N ATOM 429 CA LYS A 32 4.839 -7.052 -2.624 1.00 0.14 C ATOM 430 C LYS A 32 3.691 -6.368 -1.892 1.00 0.14 C ATOM 431 O LYS A 32 3.554 -6.502 -0.677 1.00 0.13 O ATOM 432 CB LYS A 32 4.828 -8.543 -2.288 1.00 0.16 C ATOM 433 CG LYS A 32 5.567 -8.878 -1.012 1.00 0.17 C ATOM 434 CD LYS A 32 6.907 -9.540 -1.292 1.00 0.25 C ATOM 435 CE LYS A 32 6.723 -10.945 -1.844 1.00 0.40 C ATOM 436 NZ LYS A 32 6.008 -11.831 -0.887 1.00 1.26 N ATOM 0 H LYS A 32 6.290 -6.443 -1.248 1.00 0.13 H new ATOM 0 HA LYS A 32 4.702 -6.905 -3.695 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.795 -8.880 -2.200 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.275 -9.097 -3.114 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.725 -7.968 -0.434 1.00 0.17 H new ATOM 0 HG3 LYS A 32 4.955 -9.541 -0.401 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.471 -8.938 -2.004 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.494 -9.581 -0.374 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.165 -10.897 -2.779 1.00 0.40 H new ATOM 0 HE3 LYS A 32 7.698 -11.374 -2.076 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 6.193 -12.825 -1.129 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 6.344 -11.642 0.079 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 4.986 -11.646 -0.940 1.00 1.26 H new ATOM 450 N LEU A 33 2.860 -5.649 -2.623 1.00 0.17 N ATOM 451 CA LEU A 33 1.721 -4.985 -2.019 1.00 0.17 C ATOM 452 C LEU A 33 0.450 -5.778 -2.283 1.00 0.19 C ATOM 453 O LEU A 33 0.115 -6.093 -3.427 1.00 0.27 O ATOM 454 CB LEU A 33 1.590 -3.539 -2.534 1.00 0.22 C ATOM 455 CG LEU A 33 0.445 -2.700 -1.931 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.852 -2.963 -2.661 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.267 -2.987 -0.441 1.00 0.49 C ATOM 0 H LEU A 33 2.951 -5.510 -3.629 1.00 0.17 H new ATOM 0 HA LEU A 33 1.879 -4.938 -0.941 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.530 -3.022 -2.344 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.457 -3.572 -3.615 1.00 0.22 H new ATOM 0 HG LEU A 33 0.714 -1.650 -2.048 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.646 -2.361 -2.220 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.738 -2.699 -3.712 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.108 -4.019 -2.578 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.548 -2.379 -0.048 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.033 -4.042 -0.299 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.188 -2.745 0.089 1.00 0.49 H new ATOM 469 N ALA A 34 -0.238 -6.115 -1.209 1.00 0.16 N ATOM 470 CA ALA A 34 -1.533 -6.761 -1.306 1.00 0.19 C ATOM 471 C ALA A 34 -2.622 -5.845 -0.781 1.00 0.18 C ATOM 472 O ALA A 34 -2.434 -5.168 0.229 1.00 0.25 O ATOM 473 CB ALA A 34 -1.548 -8.067 -0.535 1.00 0.25 C ATOM 0 H ALA A 34 0.081 -5.951 -0.254 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.721 -6.976 -2.358 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.530 -8.531 -0.624 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.792 -8.738 -0.942 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.333 -7.872 0.516 1.00 0.25 H new ATOM 479 N VAL A 35 -3.747 -5.815 -1.466 1.00 0.16 N ATOM 480 CA VAL A 35 -4.902 -5.084 -0.988 1.00 0.14 C ATOM 481 C VAL A 35 -6.049 -6.052 -0.788 1.00 0.16 C ATOM 482 O VAL A 35 -6.257 -6.962 -1.590 1.00 0.23 O ATOM 483 CB VAL A 35 -5.342 -3.950 -1.943 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.412 -3.089 -1.289 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.160 -3.091 -2.349 1.00 0.21 C ATOM 0 H VAL A 35 -3.886 -6.290 -2.358 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.620 -4.610 -0.048 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.757 -4.409 -2.840 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.710 -2.296 -1.975 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.278 -3.705 -1.048 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -6.015 -2.648 -0.375 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.498 -2.302 -3.020 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.712 -2.645 -1.461 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.420 -3.708 -2.858 1.00 0.21 H new ATOM 495 N ASP A 36 -6.769 -5.870 0.291 1.00 0.19 N ATOM 496 CA ASP A 36 -7.854 -6.754 0.637 1.00 0.24 C ATOM 497 C ASP A 36 -9.131 -5.959 0.825 1.00 0.25 C ATOM 498 O ASP A 36 -9.240 -5.127 1.724 1.00 0.31 O ATOM 499 CB ASP A 36 -7.492 -7.546 1.887 1.00 0.33 C ATOM 500 CG ASP A 36 -6.687 -8.790 1.551 1.00 1.05 C ATOM 501 OD1 ASP A 36 -5.477 -8.673 1.267 1.00 1.52 O ATOM 502 OD2 ASP A 36 -7.263 -9.899 1.561 1.00 1.67 O ATOM 0 H ASP A 36 -6.620 -5.108 0.952 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.024 -7.464 -0.173 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.919 -6.914 2.565 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -8.403 -7.833 2.412 1.00 0.33 H new ATOM 507 N LYS A 37 -10.083 -6.216 -0.045 1.00 0.28 N ATOM 508 CA LYS A 37 -11.292 -5.433 -0.126 1.00 0.33 C ATOM 509 C LYS A 37 -12.499 -6.245 0.308 1.00 0.46 C ATOM 510 O LYS A 37 -12.606 -7.424 -0.010 1.00 0.63 O ATOM 511 CB LYS A 37 -11.430 -4.937 -1.555 1.00 0.42 C ATOM 512 CG LYS A 37 -12.848 -4.811 -2.048 1.00 0.95 C ATOM 513 CD LYS A 37 -12.865 -4.267 -3.468 1.00 0.77 C ATOM 514 CE LYS A 37 -14.252 -3.817 -3.895 1.00 1.13 C ATOM 515 NZ LYS A 37 -15.209 -4.947 -4.018 1.00 1.34 N ATOM 0 H LYS A 37 -10.038 -6.980 -0.720 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.238 -4.582 0.553 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.945 -3.964 -1.635 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.891 -5.617 -2.214 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.339 -5.784 -2.018 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.412 -4.149 -1.391 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -12.174 -3.427 -3.542 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.507 -5.035 -4.154 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -14.636 -3.099 -3.170 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -14.183 -3.299 -4.852 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -16.139 -4.584 -4.311 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -14.860 -5.621 -4.729 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -15.299 -5.427 -3.100 1.00 1.34 H new ATOM 529 N ALA A 38 -13.392 -5.610 1.046 1.00 0.41 N ATOM 530 CA ALA A 38 -14.591 -6.263 1.528 1.00 0.52 C ATOM 531 C ALA A 38 -15.737 -5.267 1.643 1.00 0.47 C ATOM 532 O ALA A 38 -15.628 -4.256 2.334 1.00 0.43 O ATOM 533 CB ALA A 38 -14.309 -6.921 2.865 1.00 0.60 C ATOM 0 H ALA A 38 -13.305 -4.633 1.326 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.890 -7.031 0.814 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -15.212 -7.412 3.227 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.517 -7.660 2.747 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.995 -6.164 3.584 1.00 0.60 H new ATOM 539 N GLY A 39 -16.821 -5.549 0.944 1.00 0.57 N ATOM 540 CA GLY A 39 -17.976 -4.678 0.976 1.00 0.60 C ATOM 541 C GLY A 39 -19.229 -5.403 0.544 1.00 0.81 C ATOM 542 O GLY A 39 -19.248 -6.634 0.505 1.00 0.96 O ATOM 0 H GLY A 39 -16.924 -6.372 0.350 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -18.110 -4.287 1.985 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.806 -3.822 0.322 1.00 0.60 H new ATOM 546 N ALA A 40 -20.266 -4.651 0.196 1.00 0.90 N ATOM 547 CA ALA A 40 -21.521 -5.238 -0.258 1.00 1.14 C ATOM 548 C ALA A 40 -21.329 -5.980 -1.577 1.00 1.33 C ATOM 549 O ALA A 40 -22.078 -6.901 -1.901 1.00 1.57 O ATOM 550 CB ALA A 40 -22.582 -4.165 -0.406 1.00 1.24 C ATOM 0 H ALA A 40 -20.263 -3.631 0.220 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.852 -5.957 0.492 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.513 -4.618 -0.746 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.745 -3.679 0.556 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.252 -3.425 -1.135 1.00 1.24 H new ATOM 556 N ALA A 41 -20.309 -5.581 -2.327 1.00 1.28 N ATOM 557 CA ALA A 41 -19.996 -6.213 -3.600 1.00 1.49 C ATOM 558 C ALA A 41 -19.046 -7.395 -3.413 1.00 1.45 C ATOM 559 O ALA A 41 -18.466 -7.896 -4.378 1.00 1.72 O ATOM 560 CB ALA A 41 -19.401 -5.199 -4.561 1.00 1.58 C ATOM 0 H ALA A 41 -19.682 -4.818 -2.072 1.00 1.28 H new ATOM 0 HA ALA A 41 -20.925 -6.595 -4.024 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -19.172 -5.687 -5.509 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -20.117 -4.395 -4.730 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -18.486 -4.787 -4.135 1.00 1.58 H new ATOM 566 N GLY A 42 -18.875 -7.821 -2.166 1.00 1.19 N ATOM 567 CA GLY A 42 -18.076 -8.997 -1.885 1.00 1.21 C ATOM 568 C GLY A 42 -16.664 -8.666 -1.454 1.00 1.01 C ATOM 569 O GLY A 42 -16.304 -7.494 -1.303 1.00 0.86 O ATOM 0 H GLY A 42 -19.277 -7.371 -1.344 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.561 -9.580 -1.102 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -18.040 -9.626 -2.775 1.00 1.21 H new ATOM 573 N THR A 43 -15.873 -9.705 -1.246 1.00 1.03 N ATOM 574 CA THR A 43 -14.488 -9.558 -0.852 1.00 0.88 C ATOM 575 C THR A 43 -13.571 -9.757 -2.058 1.00 0.82 C ATOM 576 O THR A 43 -13.765 -10.687 -2.846 1.00 0.92 O ATOM 577 CB THR A 43 -14.133 -10.582 0.241 1.00 0.97 C ATOM 578 OG1 THR A 43 -14.510 -11.901 -0.180 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.835 -10.251 1.547 1.00 1.00 C ATOM 0 H THR A 43 -16.176 -10.674 -1.346 1.00 1.03 H new ATOM 0 HA THR A 43 -14.347 -8.552 -0.458 1.00 0.88 H new ATOM 0 HB THR A 43 -13.056 -10.541 0.403 1.00 0.97 H new ATOM 0 HG1 THR A 43 -14.279 -12.546 0.520 1.00 1.14 H new ATOM 0 HG21 THR A 43 -14.567 -10.990 2.302 1.00 1.00 H new ATOM 0 HG22 THR A 43 -14.529 -9.261 1.884 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.914 -10.264 1.394 1.00 1.00 H new ATOM 587 N SER A 44 -12.585 -8.888 -2.216 1.00 0.73 N ATOM 588 CA SER A 44 -11.652 -8.999 -3.324 1.00 0.69 C ATOM 589 C SER A 44 -10.233 -9.185 -2.806 1.00 0.59 C ATOM 590 O SER A 44 -9.820 -8.524 -1.848 1.00 0.60 O ATOM 591 CB SER A 44 -11.728 -7.751 -4.208 1.00 0.72 C ATOM 592 OG SER A 44 -10.904 -7.877 -5.355 1.00 1.15 O ATOM 0 H SER A 44 -12.411 -8.100 -1.592 1.00 0.73 H new ATOM 0 HA SER A 44 -11.924 -9.870 -3.920 1.00 0.69 H new ATOM 0 HB2 SER A 44 -12.760 -7.584 -4.516 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.422 -6.877 -3.633 1.00 0.72 H new ATOM 0 HG SER A 44 -10.975 -7.066 -5.900 1.00 1.15 H new ATOM 598 N ARG A 45 -9.501 -10.100 -3.424 1.00 0.63 N ATOM 599 CA ARG A 45 -8.097 -10.293 -3.112 1.00 0.60 C ATOM 600 C ARG A 45 -7.240 -9.644 -4.184 1.00 0.51 C ATOM 601 O ARG A 45 -7.415 -9.896 -5.378 1.00 0.65 O ATOM 602 CB ARG A 45 -7.754 -11.775 -3.012 1.00 0.78 C ATOM 603 CG ARG A 45 -6.298 -12.040 -2.661 1.00 1.48 C ATOM 604 CD ARG A 45 -6.102 -12.145 -1.158 1.00 1.56 C ATOM 605 NE ARG A 45 -6.583 -13.425 -0.644 1.00 1.96 N ATOM 606 CZ ARG A 45 -7.006 -13.630 0.601 1.00 2.32 C ATOM 607 NH1 ARG A 45 -7.108 -12.618 1.457 1.00 2.28 N ATOM 608 NH2 ARG A 45 -7.360 -14.851 0.980 1.00 3.08 N ATOM 0 H ARG A 45 -9.861 -10.722 -4.148 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.896 -9.828 -2.147 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -8.391 -12.237 -2.258 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -7.984 -12.258 -3.962 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -5.969 -12.963 -3.138 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -5.675 -11.238 -3.056 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -5.045 -12.030 -0.919 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -6.631 -11.331 -0.663 1.00 1.56 H new ATOM 0 HE ARG A 45 -6.596 -14.218 -1.285 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -6.861 -11.673 1.162 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -7.433 -12.786 2.409 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -7.307 -15.626 0.319 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -7.685 -15.015 1.933 1.00 3.08 H new ATOM 622 N ILE A 46 -6.326 -8.808 -3.749 1.00 0.38 N ATOM 623 CA ILE A 46 -5.446 -8.091 -4.656 1.00 0.33 C ATOM 624 C ILE A 46 -3.988 -8.316 -4.270 1.00 0.30 C ATOM 625 O ILE A 46 -3.609 -8.124 -3.117 1.00 0.34 O ATOM 626 CB ILE A 46 -5.751 -6.581 -4.681 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.183 -6.332 -5.164 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.762 -5.865 -5.582 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.212 -6.260 -4.052 1.00 0.40 C ATOM 0 H ILE A 46 -6.168 -8.603 -2.762 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.623 -8.485 -5.657 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.654 -6.189 -3.669 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.207 -5.399 -5.727 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.465 -7.128 -5.854 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.986 -4.798 -5.593 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.750 -6.019 -5.207 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -4.838 -6.262 -6.594 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.198 -6.081 -4.480 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.220 -7.201 -3.502 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.958 -5.446 -3.374 1.00 0.40 H new ATOM 641 N LYS A 47 -3.181 -8.737 -5.232 1.00 0.31 N ATOM 642 CA LYS A 47 -1.772 -9.014 -4.993 1.00 0.38 C ATOM 643 C LYS A 47 -0.909 -8.491 -6.133 1.00 0.41 C ATOM 644 O LYS A 47 -0.987 -8.982 -7.259 1.00 0.51 O ATOM 645 CB LYS A 47 -1.550 -10.516 -4.832 1.00 0.51 C ATOM 646 CG LYS A 47 -1.604 -11.011 -3.397 1.00 0.91 C ATOM 647 CD LYS A 47 -0.316 -10.702 -2.649 1.00 1.56 C ATOM 648 CE LYS A 47 -0.316 -11.333 -1.265 1.00 2.17 C ATOM 649 NZ LYS A 47 0.951 -11.075 -0.529 1.00 2.74 N ATOM 0 H LYS A 47 -3.481 -8.896 -6.194 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.481 -8.503 -4.075 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.304 -11.046 -5.414 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.580 -10.774 -5.256 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -2.445 -10.546 -2.882 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -1.781 -12.087 -3.389 1.00 0.91 H new ATOM 0 HD2 LYS A 47 0.536 -11.072 -3.220 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.195 -9.622 -2.559 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -1.155 -10.942 -0.689 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -0.468 -12.408 -1.358 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 0.906 -11.524 0.408 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 1.750 -11.471 -1.064 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 1.084 -10.050 -0.416 1.00 2.74 H new ATOM 663 N GLN A 48 -0.093 -7.491 -5.842 1.00 0.40 N ATOM 664 CA GLN A 48 0.855 -6.975 -6.815 1.00 0.47 C ATOM 665 C GLN A 48 2.266 -7.037 -6.251 1.00 0.50 C ATOM 666 O GLN A 48 2.587 -6.371 -5.265 1.00 0.78 O ATOM 667 CB GLN A 48 0.501 -5.540 -7.211 1.00 0.52 C ATOM 668 CG GLN A 48 -0.797 -5.430 -7.995 1.00 0.55 C ATOM 669 CD GLN A 48 -1.120 -4.008 -8.415 1.00 0.82 C ATOM 670 OE1 GLN A 48 -2.286 -3.646 -8.567 1.00 1.63 O ATOM 671 NE2 GLN A 48 -0.095 -3.189 -8.601 1.00 1.37 N ATOM 0 H GLN A 48 -0.068 -7.020 -4.938 1.00 0.40 H new ATOM 0 HA GLN A 48 0.805 -7.595 -7.710 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.425 -4.931 -6.310 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.313 -5.125 -7.808 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.733 -6.059 -8.883 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.615 -5.818 -7.388 1.00 0.55 H new ATOM 0 HE21 GLN A 48 0.858 -3.526 -8.465 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -0.259 -2.222 -8.880 1.00 1.37 H new ATOM 680 N ALA A 49 3.110 -7.833 -6.883 1.00 0.32 N ATOM 681 CA ALA A 49 4.461 -8.046 -6.396 1.00 0.31 C ATOM 682 C ALA A 49 5.474 -7.861 -7.511 1.00 0.31 C ATOM 683 O ALA A 49 5.218 -8.213 -8.664 1.00 0.39 O ATOM 684 CB ALA A 49 4.584 -9.432 -5.786 1.00 0.33 C ATOM 0 H ALA A 49 2.883 -8.343 -7.736 1.00 0.32 H new ATOM 0 HA ALA A 49 4.671 -7.304 -5.625 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.601 -9.581 -5.424 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.885 -9.527 -4.955 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.354 -10.184 -6.541 1.00 0.33 H new ATOM 690 N GLY A 50 6.621 -7.303 -7.162 1.00 0.25 N ATOM 691 CA GLY A 50 7.666 -7.078 -8.131 1.00 0.26 C ATOM 692 C GLY A 50 8.748 -6.188 -7.582 1.00 0.23 C ATOM 693 O GLY A 50 8.911 -6.075 -6.365 1.00 0.25 O ATOM 0 H GLY A 50 6.847 -7.000 -6.215 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.097 -8.033 -8.431 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.241 -6.625 -9.027 1.00 0.26 H new ATOM 697 N ALA A 51 9.485 -5.553 -8.467 1.00 0.23 N ATOM 698 CA ALA A 51 10.554 -4.675 -8.064 1.00 0.21 C ATOM 699 C ALA A 51 10.398 -3.322 -8.732 1.00 0.23 C ATOM 700 O ALA A 51 10.009 -3.231 -9.896 1.00 0.38 O ATOM 701 CB ALA A 51 11.897 -5.292 -8.397 1.00 0.23 C ATOM 0 H ALA A 51 9.360 -5.631 -9.476 1.00 0.23 H new ATOM 0 HA ALA A 51 10.506 -4.532 -6.985 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.695 -4.617 -8.087 1.00 0.23 H new ATOM 0 HB2 ALA A 51 12.001 -6.242 -7.873 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.963 -5.462 -9.472 1.00 0.23 H new ATOM 707 N PHE A 52 10.698 -2.279 -7.988 1.00 0.15 N ATOM 708 CA PHE A 52 10.572 -0.919 -8.473 1.00 0.16 C ATOM 709 C PHE A 52 11.739 -0.090 -7.934 1.00 0.14 C ATOM 710 O PHE A 52 12.562 -0.598 -7.169 1.00 0.16 O ATOM 711 CB PHE A 52 9.208 -0.348 -8.051 1.00 0.17 C ATOM 712 CG PHE A 52 8.929 1.053 -8.520 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.868 1.355 -9.871 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.736 2.069 -7.599 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.618 2.645 -10.294 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.487 3.362 -8.015 1.00 0.18 C ATOM 717 CZ PHE A 52 8.427 3.651 -9.365 1.00 0.23 C ATOM 0 H PHE A 52 11.037 -2.349 -7.028 1.00 0.15 H new ATOM 0 HA PHE A 52 10.614 -0.891 -9.562 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.424 -1.004 -8.430 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.144 -0.370 -6.963 1.00 0.17 H new ATOM 0 HD1 PHE A 52 9.018 0.573 -10.601 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.781 1.847 -6.543 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.572 2.868 -11.350 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.339 4.146 -7.287 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.231 4.661 -9.694 1.00 0.23 H new ATOM 727 N THR A 53 11.823 1.163 -8.336 1.00 0.15 N ATOM 728 CA THR A 53 12.907 2.026 -7.917 1.00 0.16 C ATOM 729 C THR A 53 12.541 2.791 -6.658 1.00 0.16 C ATOM 730 O THR A 53 11.446 3.345 -6.549 1.00 0.27 O ATOM 731 CB THR A 53 13.288 3.016 -9.020 1.00 0.21 C ATOM 732 OG1 THR A 53 12.274 3.034 -10.036 1.00 0.43 O ATOM 733 CG2 THR A 53 14.637 2.653 -9.621 1.00 0.40 C ATOM 0 H THR A 53 11.147 1.608 -8.957 1.00 0.15 H new ATOM 0 HA THR A 53 13.763 1.385 -7.708 1.00 0.16 H new ATOM 0 HB THR A 53 13.366 4.012 -8.584 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.525 3.671 -10.737 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.891 3.368 -10.403 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.401 2.679 -8.844 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.588 1.651 -10.047 1.00 0.40 H new ATOM 741 N ALA A 54 13.460 2.825 -5.715 1.00 0.13 N ATOM 742 CA ALA A 54 13.218 3.482 -4.450 1.00 0.13 C ATOM 743 C ALA A 54 14.319 4.491 -4.159 1.00 0.14 C ATOM 744 O ALA A 54 15.469 4.286 -4.531 1.00 0.23 O ATOM 745 CB ALA A 54 13.101 2.453 -3.333 1.00 0.15 C ATOM 0 H ALA A 54 14.385 2.403 -5.803 1.00 0.13 H new ATOM 0 HA ALA A 54 12.274 4.023 -4.508 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.919 2.962 -2.387 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.273 1.777 -3.546 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.027 1.882 -3.266 1.00 0.15 H new ATOM 751 N ILE A 55 13.960 5.595 -3.529 1.00 0.17 N ATOM 752 CA ILE A 55 14.926 6.635 -3.209 1.00 0.18 C ATOM 753 C ILE A 55 15.118 6.745 -1.717 1.00 0.16 C ATOM 754 O ILE A 55 14.162 6.649 -0.952 1.00 0.14 O ATOM 755 CB ILE A 55 14.504 7.989 -3.779 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.579 7.931 -5.296 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.374 9.106 -3.232 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.697 8.755 -5.894 1.00 0.33 C ATOM 0 H ILE A 55 13.006 5.796 -3.228 1.00 0.17 H new ATOM 0 HA ILE A 55 15.872 6.351 -3.670 1.00 0.18 H new ATOM 0 HB ILE A 55 13.479 8.204 -3.477 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.704 6.893 -5.603 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.630 8.273 -5.709 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.052 10.058 -3.654 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.282 9.141 -2.146 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.414 8.923 -3.502 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.680 8.658 -6.980 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.564 9.802 -5.621 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.655 8.400 -5.513 1.00 0.33 H new ATOM 770 N ALA A 56 16.368 6.943 -1.329 1.00 0.17 N ATOM 771 CA ALA A 56 16.738 7.032 0.075 1.00 0.18 C ATOM 772 C ALA A 56 15.990 8.140 0.789 1.00 0.17 C ATOM 773 O ALA A 56 15.981 9.291 0.342 1.00 0.20 O ATOM 774 CB ALA A 56 18.229 7.226 0.246 1.00 0.22 C ATOM 0 H ALA A 56 17.151 7.046 -1.974 1.00 0.17 H new ATOM 0 HA ALA A 56 16.455 6.082 0.529 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.468 7.288 1.308 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.759 6.383 -0.197 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.535 8.147 -0.250 1.00 0.22 H new ATOM 780 N GLU A 57 15.344 7.756 1.886 1.00 0.16 N ATOM 781 CA GLU A 57 14.590 8.664 2.727 1.00 0.18 C ATOM 782 C GLU A 57 13.491 9.333 1.917 1.00 0.19 C ATOM 783 O GLU A 57 13.094 10.470 2.175 1.00 0.28 O ATOM 784 CB GLU A 57 15.536 9.671 3.366 1.00 0.23 C ATOM 785 CG GLU A 57 16.644 8.999 4.167 1.00 0.27 C ATOM 786 CD GLU A 57 17.686 9.977 4.661 1.00 0.74 C ATOM 787 OE1 GLU A 57 17.431 10.659 5.677 1.00 0.75 O ATOM 788 OE2 GLU A 57 18.764 10.071 4.040 1.00 1.33 O ATOM 0 H GLU A 57 15.333 6.791 2.216 1.00 0.16 H new ATOM 0 HA GLU A 57 14.104 8.113 3.532 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.979 10.293 2.589 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.969 10.334 4.020 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.206 8.480 5.020 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.127 8.243 3.548 1.00 0.27 H new ATOM 795 N GLN A 58 13.009 8.592 0.931 1.00 0.16 N ATOM 796 CA GLN A 58 11.926 9.008 0.089 1.00 0.18 C ATOM 797 C GLN A 58 10.817 7.997 0.147 1.00 0.17 C ATOM 798 O GLN A 58 11.045 6.808 0.370 1.00 0.19 O ATOM 799 CB GLN A 58 12.368 9.184 -1.337 1.00 0.20 C ATOM 800 CG GLN A 58 12.463 10.637 -1.735 1.00 0.28 C ATOM 801 CD GLN A 58 11.428 11.505 -1.039 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.314 11.669 -1.532 1.00 1.38 O ATOM 803 NE2 GLN A 58 11.785 12.069 0.103 1.00 1.48 N ATOM 0 H GLN A 58 13.375 7.669 0.699 1.00 0.16 H new ATOM 0 HA GLN A 58 11.572 9.971 0.456 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.339 8.708 -1.475 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.667 8.674 -1.997 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.460 11.009 -1.500 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.337 10.723 -2.814 1.00 0.28 H new ATOM 0 HE21 GLN A 58 12.719 11.909 0.481 1.00 1.48 H new ATOM 0 HE22 GLN A 58 11.126 12.664 0.606 1.00 1.48 H new ATOM 812 N ARG A 59 9.627 8.484 -0.054 1.00 0.16 N ATOM 813 CA ARG A 59 8.447 7.649 -0.025 1.00 0.17 C ATOM 814 C ARG A 59 8.150 7.114 -1.414 1.00 0.17 C ATOM 815 O ARG A 59 7.992 7.881 -2.365 1.00 0.22 O ATOM 816 CB ARG A 59 7.241 8.428 0.484 1.00 0.24 C ATOM 817 CG ARG A 59 7.092 8.452 2.000 1.00 0.30 C ATOM 818 CD ARG A 59 8.344 8.946 2.685 1.00 0.44 C ATOM 819 NE ARG A 59 8.181 9.056 4.132 1.00 1.37 N ATOM 820 CZ ARG A 59 8.933 9.830 4.910 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.856 10.625 4.377 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.747 9.827 6.222 1.00 2.72 N ATOM 0 H ARG A 59 9.440 9.469 -0.243 1.00 0.16 H new ATOM 0 HA ARG A 59 8.640 6.818 0.653 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.310 9.454 0.123 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.338 7.998 0.051 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.253 9.093 2.272 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.855 7.450 2.357 1.00 0.30 H new ATOM 0 HD2 ARG A 59 9.167 8.266 2.466 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.617 9.919 2.278 1.00 0.44 H new ATOM 0 HE ARG A 59 7.445 8.505 4.574 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.991 10.644 3.366 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.429 11.216 4.979 1.00 1.51 H new ATOM 0 HH21 ARG A 59 8.028 9.232 6.634 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.323 10.420 6.820 1.00 2.72 H new ATOM 836 N VAL A 60 8.081 5.808 -1.524 1.00 0.13 N ATOM 837 CA VAL A 60 7.782 5.153 -2.777 1.00 0.14 C ATOM 838 C VAL A 60 6.482 4.387 -2.647 1.00 0.13 C ATOM 839 O VAL A 60 6.424 3.373 -1.965 1.00 0.12 O ATOM 840 CB VAL A 60 8.936 4.200 -3.169 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.552 3.305 -4.341 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.171 5.017 -3.505 1.00 0.15 C ATOM 0 H VAL A 60 8.231 5.167 -0.745 1.00 0.13 H new ATOM 0 HA VAL A 60 7.676 5.903 -3.561 1.00 0.14 H new ATOM 0 HB VAL A 60 9.148 3.548 -2.321 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.388 2.650 -4.587 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.686 2.702 -4.070 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.308 3.922 -5.205 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.986 4.348 -3.782 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.950 5.684 -4.338 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.465 5.607 -2.636 1.00 0.15 H new ATOM 852 N THR A 61 5.437 4.851 -3.305 1.00 0.15 N ATOM 853 CA THR A 61 4.151 4.214 -3.135 1.00 0.15 C ATOM 854 C THR A 61 3.980 3.094 -4.133 1.00 0.16 C ATOM 855 O THR A 61 4.175 3.269 -5.336 1.00 0.19 O ATOM 856 CB THR A 61 2.971 5.193 -3.219 1.00 0.17 C ATOM 857 OG1 THR A 61 3.350 6.479 -2.711 1.00 0.19 O ATOM 858 CG2 THR A 61 1.810 4.647 -2.410 1.00 0.19 C ATOM 0 H THR A 61 5.452 5.645 -3.945 1.00 0.15 H new ATOM 0 HA THR A 61 4.141 3.806 -2.124 1.00 0.15 H new ATOM 0 HB THR A 61 2.675 5.304 -4.262 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.588 7.093 -2.773 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.970 5.339 -2.467 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.510 3.679 -2.811 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.114 4.530 -1.370 1.00 0.19 H new ATOM 866 N VAL A 62 3.628 1.941 -3.611 1.00 0.15 N ATOM 867 CA VAL A 62 3.654 0.726 -4.377 1.00 0.15 C ATOM 868 C VAL A 62 2.301 0.027 -4.393 1.00 0.15 C ATOM 869 O VAL A 62 1.587 0.016 -3.391 1.00 0.16 O ATOM 870 CB VAL A 62 4.757 -0.202 -3.815 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.486 -1.678 -4.092 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.114 0.218 -4.364 1.00 0.16 C ATOM 0 H VAL A 62 3.317 1.824 -2.647 1.00 0.15 H new ATOM 0 HA VAL A 62 3.880 0.975 -5.414 1.00 0.15 H new ATOM 0 HB VAL A 62 4.756 -0.092 -2.731 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.293 -2.281 -3.675 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.541 -1.967 -3.631 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.430 -1.842 -5.168 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.887 -0.439 -3.965 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.104 0.148 -5.452 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.324 1.246 -4.069 1.00 0.16 H new ATOM 882 N GLY A 63 1.958 -0.532 -5.550 1.00 0.18 N ATOM 883 CA GLY A 63 0.725 -1.275 -5.685 1.00 0.21 C ATOM 884 C GLY A 63 -0.459 -0.378 -5.957 1.00 0.20 C ATOM 885 O GLY A 63 -1.208 -0.041 -5.049 1.00 0.28 O ATOM 0 H GLY A 63 2.519 -0.481 -6.400 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.825 -1.996 -6.496 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.545 -1.844 -4.773 1.00 0.21 H new ATOM 889 N ASN A 64 -0.626 0.020 -7.212 1.00 0.33 N ATOM 890 CA ASN A 64 -1.735 0.884 -7.588 1.00 0.40 C ATOM 891 C ASN A 64 -2.980 0.046 -7.800 1.00 0.37 C ATOM 892 O ASN A 64 -3.104 -0.662 -8.800 1.00 0.52 O ATOM 893 CB ASN A 64 -1.412 1.667 -8.870 1.00 0.67 C ATOM 894 CG ASN A 64 -0.331 2.724 -8.686 1.00 1.31 C ATOM 895 OD1 ASN A 64 -0.349 3.763 -9.346 1.00 2.17 O ATOM 896 ND2 ASN A 64 0.619 2.468 -7.800 1.00 1.98 N ATOM 0 H ASN A 64 -0.010 -0.241 -7.982 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.905 1.600 -6.784 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -1.095 0.967 -9.643 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -2.321 2.149 -9.230 1.00 0.67 H new ATOM 0 HD21 ASN A 64 1.368 3.143 -7.646 1.00 1.98 H new ATOM 0 HD22 ASN A 64 0.601 1.596 -7.271 1.00 1.98 H new ATOM 903 N VAL A 65 -3.898 0.137 -6.856 1.00 0.25 N ATOM 904 CA VAL A 65 -5.158 -0.584 -6.933 1.00 0.33 C ATOM 905 C VAL A 65 -6.317 0.378 -6.722 1.00 0.27 C ATOM 906 O VAL A 65 -6.492 0.913 -5.631 1.00 0.35 O ATOM 907 CB VAL A 65 -5.228 -1.701 -5.874 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.466 -2.560 -6.076 1.00 1.29 C ATOM 909 CG2 VAL A 65 -3.966 -2.549 -5.902 1.00 1.10 C ATOM 0 H VAL A 65 -3.794 0.709 -6.018 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.225 -1.038 -7.922 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.299 -1.235 -4.891 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.494 -3.342 -5.317 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.358 -1.939 -5.991 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.435 -3.016 -7.066 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -4.037 -3.331 -5.146 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.855 -3.004 -6.886 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -3.100 -1.920 -5.693 1.00 1.10 H new ATOM 919 N VAL A 66 -7.090 0.622 -7.765 1.00 0.25 N ATOM 920 CA VAL A 66 -8.206 1.547 -7.666 1.00 0.23 C ATOM 921 C VAL A 66 -9.514 0.808 -7.419 1.00 0.24 C ATOM 922 O VAL A 66 -9.941 -0.027 -8.218 1.00 0.27 O ATOM 923 CB VAL A 66 -8.331 2.430 -8.924 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.478 3.419 -8.775 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.026 3.167 -9.187 1.00 0.29 C ATOM 0 H VAL A 66 -6.968 0.197 -8.684 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.003 2.196 -6.814 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.544 1.784 -9.776 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.549 4.032 -9.673 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.412 2.875 -8.633 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.296 4.060 -7.912 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.131 3.786 -10.078 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.787 3.800 -8.332 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.224 2.444 -9.339 1.00 0.29 H new ATOM 935 N LEU A 67 -10.130 1.117 -6.291 1.00 0.22 N ATOM 936 CA LEU A 67 -11.401 0.531 -5.901 1.00 0.23 C ATOM 937 C LEU A 67 -12.502 1.561 -6.109 1.00 0.24 C ATOM 938 O LEU A 67 -12.218 2.737 -6.343 1.00 0.26 O ATOM 939 CB LEU A 67 -11.403 0.136 -4.417 1.00 0.21 C ATOM 940 CG LEU A 67 -10.222 -0.692 -3.884 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.941 -1.890 -4.776 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.969 0.161 -3.701 1.00 0.18 C ATOM 0 H LEU A 67 -9.760 1.786 -5.616 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.563 -0.359 -6.508 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.460 1.052 -3.829 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.317 -0.425 -4.223 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.509 -1.065 -2.901 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.101 -2.455 -4.372 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.823 -2.529 -4.815 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.697 -1.546 -5.781 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.158 -0.461 -3.323 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.679 0.593 -4.659 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.174 0.961 -2.990 1.00 0.18 H new ATOM 954 N ASP A 68 -13.752 1.137 -6.032 1.00 0.26 N ATOM 955 CA ASP A 68 -14.847 2.090 -5.949 1.00 0.28 C ATOM 956 C ASP A 68 -14.844 2.673 -4.542 1.00 0.28 C ATOM 957 O ASP A 68 -14.593 1.956 -3.573 1.00 0.30 O ATOM 958 CB ASP A 68 -16.199 1.433 -6.277 1.00 0.32 C ATOM 959 CG ASP A 68 -16.886 0.810 -5.073 1.00 0.79 C ATOM 960 OD1 ASP A 68 -17.628 1.530 -4.367 1.00 1.25 O ATOM 961 OD2 ASP A 68 -16.711 -0.404 -4.842 1.00 0.92 O ATOM 0 H ASP A 68 -14.032 0.156 -6.025 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.707 2.880 -6.687 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.860 2.182 -6.714 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.045 0.664 -7.034 1.00 0.32 H new ATOM 966 N TYR A 69 -15.078 3.965 -4.418 1.00 0.28 N ATOM 967 CA TYR A 69 -14.947 4.613 -3.123 1.00 0.27 C ATOM 968 C TYR A 69 -16.191 4.449 -2.269 1.00 0.27 C ATOM 969 O TYR A 69 -17.293 4.832 -2.663 1.00 0.30 O ATOM 970 CB TYR A 69 -14.621 6.099 -3.258 1.00 0.29 C ATOM 971 CG TYR A 69 -14.928 6.865 -1.997 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.319 6.523 -0.797 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.849 7.903 -2.004 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.628 7.198 0.373 1.00 0.27 C ATOM 975 CE2 TYR A 69 -16.156 8.584 -0.847 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.549 8.226 0.336 1.00 0.30 C ATOM 977 OH TYR A 69 -15.878 8.884 1.490 1.00 0.33 O ATOM 0 H TYR A 69 -15.355 4.580 -5.183 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.116 4.113 -2.626 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.566 6.217 -3.505 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.191 6.521 -4.086 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.596 5.721 -0.775 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.332 8.181 -2.929 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -14.154 6.923 1.304 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.869 9.395 -0.867 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.539 9.580 1.293 1.00 0.33 H new ATOM 987 N SER A 70 -16.000 3.852 -1.106 1.00 0.25 N ATOM 988 CA SER A 70 -17.000 3.862 -0.060 1.00 0.27 C ATOM 989 C SER A 70 -16.297 3.925 1.293 1.00 0.29 C ATOM 990 O SER A 70 -15.508 3.044 1.624 1.00 0.28 O ATOM 991 CB SER A 70 -17.909 2.638 -0.173 1.00 0.30 C ATOM 992 OG SER A 70 -17.379 1.697 -1.093 1.00 0.99 O ATOM 0 H SER A 70 -15.147 3.348 -0.863 1.00 0.25 H new ATOM 0 HA SER A 70 -17.638 4.740 -0.163 1.00 0.27 H new ATOM 0 HB2 SER A 70 -18.021 2.172 0.806 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.903 2.947 -0.495 1.00 0.30 H new ATOM 0 HG SER A 70 -17.976 0.922 -1.148 1.00 0.99 H new ATOM 998 N SER A 71 -16.554 4.981 2.057 1.00 0.36 N ATOM 999 CA SER A 71 -15.912 5.158 3.356 1.00 0.42 C ATOM 1000 C SER A 71 -16.327 4.059 4.331 1.00 0.43 C ATOM 1001 O SER A 71 -15.591 3.728 5.258 1.00 0.50 O ATOM 1002 CB SER A 71 -16.242 6.531 3.922 1.00 0.50 C ATOM 1003 OG SER A 71 -17.637 6.781 3.898 1.00 0.54 O ATOM 0 H SER A 71 -17.201 5.727 1.801 1.00 0.36 H new ATOM 0 HA SER A 71 -14.833 5.087 3.216 1.00 0.42 H new ATOM 0 HB2 SER A 71 -15.876 6.601 4.946 1.00 0.50 H new ATOM 0 HB3 SER A 71 -15.724 7.297 3.346 1.00 0.50 H new ATOM 0 HG SER A 71 -17.816 7.670 4.270 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.500 3.487 4.103 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.001 2.407 4.938 1.00 0.43 C ATOM 1011 C ALA A 72 -17.541 1.045 4.421 1.00 0.40 C ATOM 1012 O ALA A 72 -17.868 0.004 5.000 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.515 2.465 5.006 1.00 0.47 C ATOM 0 H ALA A 72 -18.125 3.755 3.343 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.593 2.535 5.941 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.882 1.653 5.633 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -19.824 3.420 5.431 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -19.928 2.364 4.003 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.780 1.055 3.331 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.295 -0.176 2.732 1.00 0.30 C ATOM 1021 C ASN A 73 -14.960 -0.562 3.337 1.00 0.33 C ATOM 1022 O ASN A 73 -14.108 0.294 3.576 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.147 -0.026 1.223 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.939 -1.078 0.469 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -17.954 -1.570 0.957 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.499 -1.418 -0.730 1.00 0.95 N ATOM 0 H ASN A 73 -16.488 1.904 2.847 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.025 -0.960 2.935 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.483 0.966 0.922 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.094 -0.101 0.952 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.006 -2.110 -1.282 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -15.652 -0.989 -1.103 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.776 -1.844 3.592 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.532 -2.321 4.161 1.00 0.35 C ATOM 1035 C ARG A 74 -12.478 -2.492 3.077 1.00 0.27 C ATOM 1036 O ARG A 74 -12.568 -3.379 2.233 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.758 -3.635 4.900 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.564 -3.481 6.182 1.00 0.73 C ATOM 1039 CD ARG A 74 -13.798 -2.699 7.238 1.00 1.02 C ATOM 1040 NE ARG A 74 -14.615 -2.414 8.418 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.157 -2.421 9.671 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -12.893 -2.738 9.923 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -14.970 -2.123 10.678 1.00 2.50 N ATOM 0 H ARG A 74 -15.470 -2.570 3.415 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.171 -1.580 4.874 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.273 -4.331 4.238 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.792 -4.079 5.139 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.503 -2.973 5.963 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.819 -4.466 6.572 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -12.916 -3.265 7.537 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.445 -1.762 6.808 1.00 1.02 H new ATOM 0 HE ARG A 74 -15.601 -2.195 8.273 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.265 -2.978 9.156 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -12.550 -2.741 10.884 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -15.945 -1.889 10.494 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -14.619 -2.129 11.636 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.494 -1.616 3.101 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.343 -1.726 2.229 1.00 0.14 C ATOM 1059 C TYR A 75 -9.092 -1.767 3.063 1.00 0.13 C ATOM 1060 O TYR A 75 -8.786 -0.819 3.778 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.263 -0.552 1.266 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.405 -0.494 0.300 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.691 -1.584 -0.492 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.193 0.642 0.180 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.734 -1.554 -1.384 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.243 0.682 -0.713 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.508 -0.421 -1.493 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.555 -0.398 -2.381 1.00 0.35 O ATOM 0 H TYR A 75 -11.470 -0.809 3.725 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.443 -2.641 1.645 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.234 0.376 1.838 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.328 -0.613 0.708 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.086 -2.475 -0.410 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.981 1.505 0.793 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.947 -2.417 -1.998 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.852 1.570 -0.800 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.735 0.527 -2.651 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.384 -2.863 2.990 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.156 -3.007 3.737 1.00 0.13 C ATOM 1080 C ALA A 76 -6.013 -3.313 2.810 1.00 0.12 C ATOM 1081 O ALA A 76 -6.219 -3.642 1.650 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.271 -4.083 4.787 1.00 0.16 C ATOM 0 H ALA A 76 -8.634 -3.672 2.421 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.964 -2.061 4.243 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.329 -4.164 5.330 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.070 -3.828 5.483 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.497 -5.036 4.308 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.813 -3.207 3.322 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.639 -3.419 2.519 1.00 0.13 C ATOM 1090 C ALA A 77 -2.537 -4.013 3.362 1.00 0.14 C ATOM 1091 O ALA A 77 -2.604 -3.981 4.582 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.187 -2.111 1.898 1.00 0.12 C ATOM 0 H ALA A 77 -4.625 -2.974 4.297 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.879 -4.117 1.717 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.297 -2.284 1.292 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.983 -1.713 1.268 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.955 -1.395 2.686 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.556 -4.586 2.708 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.384 -5.113 3.376 1.00 0.16 C ATOM 1100 C ARG A 78 0.762 -5.211 2.397 1.00 0.14 C ATOM 1101 O ARG A 78 0.681 -5.931 1.402 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.643 -6.477 4.002 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.451 -7.394 3.128 1.00 0.56 C ATOM 1104 CD ARG A 78 -2.916 -7.259 3.470 1.00 1.56 C ATOM 1105 NE ARG A 78 -3.699 -8.439 3.125 1.00 2.06 N ATOM 1106 CZ ARG A 78 -3.876 -9.490 3.927 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -3.251 -9.565 5.097 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -4.684 -10.472 3.549 1.00 3.35 N ATOM 0 H ARG A 78 -1.545 -4.702 1.695 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.129 -4.425 4.182 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.312 -6.951 4.228 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.163 -6.340 4.950 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.288 -7.149 2.078 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.128 -8.425 3.269 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -3.016 -7.064 4.538 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -3.326 -6.394 2.948 1.00 1.56 H new ATOM 0 HE ARG A 78 -4.142 -8.463 2.207 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -2.627 -8.813 5.391 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -3.395 -10.374 5.701 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -5.165 -10.420 2.651 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -4.825 -11.279 4.157 1.00 3.35 H new ATOM 1122 N LEU A 79 1.816 -4.475 2.658 1.00 0.17 N ATOM 1123 CA LEU A 79 2.954 -4.497 1.775 1.00 0.15 C ATOM 1124 C LEU A 79 4.123 -5.181 2.441 1.00 0.15 C ATOM 1125 O LEU A 79 4.638 -4.712 3.455 1.00 0.22 O ATOM 1126 CB LEU A 79 3.348 -3.089 1.349 1.00 0.16 C ATOM 1127 CG LEU A 79 3.903 -2.997 -0.075 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.155 -1.553 -0.458 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.166 -3.838 -0.236 1.00 0.16 C ATOM 0 H LEU A 79 1.908 -3.860 3.466 1.00 0.17 H new ATOM 0 HA LEU A 79 2.674 -5.057 0.883 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.476 -2.440 1.430 1.00 0.16 H new ATOM 0 HB3 LEU A 79 4.096 -2.707 2.044 1.00 0.16 H new ATOM 0 HG LEU A 79 3.153 -3.403 -0.754 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.549 -1.509 -1.473 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.220 -0.995 -0.407 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.877 -1.115 0.231 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.534 -3.750 -1.258 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.930 -3.484 0.456 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.938 -4.882 -0.021 1.00 0.16 H new ATOM 1141 N ASP A 80 4.531 -6.284 1.855 1.00 0.12 N ATOM 1142 CA ASP A 80 5.701 -7.003 2.299 1.00 0.12 C ATOM 1143 C ASP A 80 6.900 -6.565 1.478 1.00 0.11 C ATOM 1144 O ASP A 80 6.907 -6.686 0.262 1.00 0.15 O ATOM 1145 CB ASP A 80 5.496 -8.510 2.155 1.00 0.15 C ATOM 1146 CG ASP A 80 4.456 -9.079 3.099 1.00 1.16 C ATOM 1147 OD1 ASP A 80 4.809 -9.398 4.254 1.00 1.06 O ATOM 1148 OD2 ASP A 80 3.275 -9.179 2.703 1.00 2.22 O ATOM 0 H ASP A 80 4.059 -6.707 1.056 1.00 0.12 H new ATOM 0 HA ASP A 80 5.874 -6.780 3.352 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.201 -8.731 1.129 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.446 -9.015 2.329 1.00 0.15 H new ATOM 1153 N VAL A 81 7.900 -6.022 2.124 1.00 0.09 N ATOM 1154 CA VAL A 81 9.102 -5.634 1.419 1.00 0.10 C ATOM 1155 C VAL A 81 10.215 -6.607 1.756 1.00 0.12 C ATOM 1156 O VAL A 81 10.735 -6.600 2.866 1.00 0.13 O ATOM 1157 CB VAL A 81 9.555 -4.205 1.767 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.619 -3.744 0.794 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.380 -3.239 1.782 1.00 0.09 C ATOM 0 H VAL A 81 7.910 -5.838 3.127 1.00 0.09 H new ATOM 0 HA VAL A 81 8.877 -5.655 0.353 1.00 0.10 H new ATOM 0 HB VAL A 81 9.980 -4.218 2.771 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.932 -2.732 1.050 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.477 -4.414 0.849 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.215 -3.754 -0.218 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.734 -2.239 2.031 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.910 -3.223 0.799 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.653 -3.562 2.527 1.00 0.09 H new ATOM 1169 N SER A 82 10.555 -7.446 0.802 1.00 0.14 N ATOM 1170 CA SER A 82 11.610 -8.419 0.976 1.00 0.17 C ATOM 1171 C SER A 82 12.634 -8.262 -0.141 1.00 0.20 C ATOM 1172 O SER A 82 12.362 -8.581 -1.301 1.00 0.25 O ATOM 1173 CB SER A 82 11.026 -9.834 0.977 1.00 0.21 C ATOM 1174 OG SER A 82 10.203 -10.051 -0.159 1.00 0.82 O ATOM 0 H SER A 82 10.108 -7.473 -0.115 1.00 0.14 H new ATOM 0 HA SER A 82 12.103 -8.252 1.934 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.835 -10.564 0.988 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.444 -9.989 1.886 1.00 0.21 H new ATOM 0 HG SER A 82 10.634 -9.670 -0.953 1.00 0.82 H new ATOM 1180 N PHE A 83 13.796 -7.749 0.209 1.00 0.21 N ATOM 1181 CA PHE A 83 14.837 -7.484 -0.764 1.00 0.24 C ATOM 1182 C PHE A 83 16.206 -7.582 -0.107 1.00 0.24 C ATOM 1183 O PHE A 83 16.633 -6.672 0.599 1.00 0.23 O ATOM 1184 CB PHE A 83 14.631 -6.098 -1.391 1.00 0.26 C ATOM 1185 CG PHE A 83 15.767 -5.651 -2.269 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.161 -6.407 -3.361 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.446 -4.475 -1.995 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.209 -5.998 -4.163 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.495 -4.062 -2.793 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.877 -4.824 -3.878 1.00 0.34 C ATOM 0 H PHE A 83 14.045 -7.506 1.168 1.00 0.21 H new ATOM 0 HA PHE A 83 14.783 -8.231 -1.556 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.713 -6.109 -1.979 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.491 -5.367 -0.595 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.643 -7.327 -3.588 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.152 -3.874 -1.147 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.505 -6.596 -5.012 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.016 -3.143 -2.568 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.697 -4.503 -4.503 1.00 0.34 H new ATOM 1200 N GLY A 84 16.872 -8.703 -0.323 1.00 0.30 N ATOM 1201 CA GLY A 84 18.194 -8.894 0.232 1.00 0.34 C ATOM 1202 C GLY A 84 18.171 -8.975 1.743 1.00 0.34 C ATOM 1203 O GLY A 84 17.772 -9.994 2.312 1.00 0.41 O ATOM 0 H GLY A 84 16.521 -9.486 -0.874 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.628 -9.808 -0.173 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.839 -8.071 -0.077 1.00 0.34 H new ATOM 1207 N SER A 85 18.570 -7.893 2.390 1.00 0.32 N ATOM 1208 CA SER A 85 18.664 -7.861 3.837 1.00 0.36 C ATOM 1209 C SER A 85 17.390 -7.318 4.479 1.00 0.31 C ATOM 1210 O SER A 85 17.183 -7.463 5.685 1.00 0.35 O ATOM 1211 CB SER A 85 19.861 -7.020 4.246 1.00 0.43 C ATOM 1212 OG SER A 85 19.828 -5.737 3.635 1.00 0.42 O ATOM 0 H SER A 85 18.835 -7.021 1.932 1.00 0.32 H new ATOM 0 HA SER A 85 18.792 -8.884 4.192 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.875 -6.908 5.330 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.781 -7.534 3.967 1.00 0.43 H new ATOM 0 HG SER A 85 20.610 -5.219 3.919 1.00 0.42 H new ATOM 1218 N VAL A 86 16.528 -6.707 3.680 1.00 0.24 N ATOM 1219 CA VAL A 86 15.295 -6.146 4.211 1.00 0.20 C ATOM 1220 C VAL A 86 14.124 -7.109 4.023 1.00 0.17 C ATOM 1221 O VAL A 86 13.962 -7.712 2.961 1.00 0.18 O ATOM 1222 CB VAL A 86 14.941 -4.776 3.570 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.603 -4.914 2.093 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.791 -4.126 4.324 1.00 0.19 C ATOM 0 H VAL A 86 16.656 -6.588 2.675 1.00 0.24 H new ATOM 0 HA VAL A 86 15.469 -5.988 5.275 1.00 0.20 H new ATOM 0 HB VAL A 86 15.821 -4.137 3.643 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.361 -3.934 1.682 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.459 -5.329 1.561 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.746 -5.578 1.976 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.552 -3.166 3.866 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.916 -4.775 4.284 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.080 -3.970 5.363 1.00 0.19 H new ATOM 1234 N THR A 87 13.344 -7.291 5.077 1.00 0.17 N ATOM 1235 CA THR A 87 12.068 -7.978 4.977 1.00 0.17 C ATOM 1236 C THR A 87 11.114 -7.419 6.026 1.00 0.15 C ATOM 1237 O THR A 87 11.347 -7.545 7.229 1.00 0.18 O ATOM 1238 CB THR A 87 12.214 -9.498 5.170 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.277 -10.000 4.349 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.919 -10.196 4.798 1.00 0.23 C ATOM 0 H THR A 87 13.575 -6.970 6.017 1.00 0.17 H new ATOM 0 HA THR A 87 11.674 -7.810 3.975 1.00 0.17 H new ATOM 0 HB THR A 87 12.444 -9.695 6.217 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.363 -10.967 4.480 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.032 -11.271 4.938 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.113 -9.830 5.434 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.681 -9.989 3.755 1.00 0.23 H new ATOM 1248 N ILE A 88 10.035 -6.811 5.555 1.00 0.12 N ATOM 1249 CA ILE A 88 9.095 -6.097 6.417 1.00 0.11 C ATOM 1250 C ILE A 88 7.697 -6.171 5.836 1.00 0.10 C ATOM 1251 O ILE A 88 7.523 -6.595 4.698 1.00 0.11 O ATOM 1252 CB ILE A 88 9.451 -4.614 6.568 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.168 -3.884 5.266 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.903 -4.441 6.982 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.569 -2.437 5.292 1.00 0.09 C ATOM 0 H ILE A 88 9.784 -6.797 4.567 1.00 0.12 H new ATOM 0 HA ILE A 88 9.147 -6.578 7.394 1.00 0.11 H new ATOM 0 HB ILE A 88 8.832 -4.184 7.355 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.697 -4.385 4.455 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.103 -3.954 5.043 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.129 -3.379 7.082 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.071 -4.939 7.937 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.552 -4.880 6.225 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.338 -1.978 4.331 1.00 0.09 H new ATOM 0 HD12 ILE A 88 9.021 -1.922 6.081 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.639 -2.359 5.484 1.00 0.09 H new ATOM 1267 N GLN A 89 6.705 -5.788 6.617 1.00 0.11 N ATOM 1268 CA GLN A 89 5.356 -5.645 6.099 1.00 0.14 C ATOM 1269 C GLN A 89 4.594 -4.579 6.878 1.00 0.14 C ATOM 1270 O GLN A 89 4.836 -4.375 8.068 1.00 0.20 O ATOM 1271 CB GLN A 89 4.586 -6.971 6.143 1.00 0.22 C ATOM 1272 CG GLN A 89 4.424 -7.554 7.539 1.00 0.68 C ATOM 1273 CD GLN A 89 3.443 -8.715 7.586 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.782 -8.941 8.598 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.330 -9.455 6.495 1.00 1.88 N ATOM 0 H GLN A 89 6.806 -5.571 7.608 1.00 0.11 H new ATOM 0 HA GLN A 89 5.441 -5.338 5.056 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.598 -6.819 5.708 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.101 -7.698 5.516 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.395 -7.891 7.901 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.085 -6.771 8.217 1.00 0.68 H new ATOM 0 HE21 GLN A 89 3.893 -9.240 5.672 1.00 1.88 H new ATOM 0 HE22 GLN A 89 2.679 -10.240 6.477 1.00 1.88 H new ATOM 1284 N CYS A 90 3.696 -3.892 6.192 1.00 0.20 N ATOM 1285 CA CYS A 90 2.807 -2.925 6.826 1.00 0.21 C ATOM 1286 C CYS A 90 1.395 -3.152 6.318 1.00 0.23 C ATOM 1287 O CYS A 90 1.216 -3.618 5.199 1.00 0.31 O ATOM 1288 CB CYS A 90 3.232 -1.489 6.544 1.00 0.22 C ATOM 1289 SG CYS A 90 4.922 -1.055 7.083 1.00 0.97 S ATOM 0 H CYS A 90 3.561 -3.986 5.185 1.00 0.20 H new ATOM 0 HA CYS A 90 2.854 -3.072 7.905 1.00 0.21 H new ATOM 0 HB2 CYS A 90 3.153 -1.308 5.472 1.00 0.22 H new ATOM 0 HB3 CYS A 90 2.528 -0.816 7.034 1.00 0.22 H new ATOM 1294 N ASN A 91 0.400 -2.811 7.120 1.00 0.19 N ATOM 1295 CA ASN A 91 -0.982 -3.161 6.799 1.00 0.18 C ATOM 1296 C ASN A 91 -1.925 -1.981 7.005 1.00 0.16 C ATOM 1297 O ASN A 91 -1.816 -1.244 7.986 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.446 -4.370 7.629 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.497 -4.101 9.123 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -2.512 -3.649 9.650 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -0.412 -4.402 9.821 1.00 1.82 N ATOM 0 H ASN A 91 0.517 -2.296 7.993 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.012 -3.430 5.743 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.436 -4.674 7.289 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -0.774 -5.207 7.442 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -0.400 -4.261 10.831 1.00 1.82 H new ATOM 0 HD22 ASN A 91 0.411 -4.775 9.348 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.836 -1.800 6.051 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.771 -0.680 6.061 1.00 0.13 C ATOM 1310 C LEU A 92 -4.958 -0.944 6.983 1.00 0.14 C ATOM 1311 O LEU A 92 -5.513 -2.043 6.998 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.292 -0.366 4.649 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.610 0.416 4.599 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.439 1.838 5.119 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.147 0.460 3.191 1.00 0.12 C ATOM 0 H LEU A 92 -2.946 -2.424 5.252 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.215 0.180 6.436 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.530 0.203 4.116 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.424 -1.305 4.111 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.318 -0.105 5.243 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.394 2.361 5.068 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.096 1.808 6.153 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.705 2.363 4.508 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.083 1.019 3.176 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.422 0.948 2.540 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.325 -0.556 2.838 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.333 0.073 7.743 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.587 0.064 8.489 1.00 0.19 C ATOM 1329 C ASP A 93 -7.697 0.656 7.630 1.00 0.17 C ATOM 1330 O ASP A 93 -7.677 1.842 7.327 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.456 0.861 9.790 1.00 0.26 C ATOM 1332 CG ASP A 93 -6.013 0.005 10.959 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -6.875 -0.668 11.566 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -4.809 0.017 11.289 1.00 2.13 O ATOM 0 H ASP A 93 -4.783 0.924 7.862 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.831 -0.968 8.743 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.740 1.670 9.645 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.415 1.323 10.026 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.674 -0.165 7.205 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.777 0.281 6.337 1.00 0.19 C ATOM 1341 C PRO A 94 -10.548 1.466 6.916 1.00 0.23 C ATOM 1342 O PRO A 94 -11.176 2.234 6.190 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.691 -0.945 6.235 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.236 -1.878 7.304 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.778 -1.600 7.513 1.00 0.21 C ATOM 0 HA PRO A 94 -9.401 0.630 5.375 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.736 -0.667 6.376 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.615 -1.409 5.252 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.798 -1.718 8.224 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.396 -2.915 7.009 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.467 -1.818 8.535 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.153 -2.202 6.854 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.481 1.610 8.226 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.100 2.728 8.923 1.00 0.34 C ATOM 1355 C GLU A 95 -10.328 4.020 8.699 1.00 0.32 C ATOM 1356 O GLU A 95 -10.610 5.028 9.337 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.215 2.412 10.410 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.044 1.184 10.686 1.00 0.69 C ATOM 1359 CD GLU A 95 -11.969 0.739 12.127 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -10.939 0.154 12.518 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -12.940 0.961 12.875 1.00 1.21 O ATOM 0 H GLU A 95 -9.996 0.956 8.840 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.100 2.875 8.515 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.217 2.271 10.825 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.656 3.265 10.925 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.083 1.387 10.427 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.708 0.372 10.042 1.00 0.69 H new ATOM 1368 N THR A 96 -9.321 3.979 7.838 1.00 0.23 N ATOM 1369 CA THR A 96 -8.601 5.179 7.480 1.00 0.24 C ATOM 1370 C THR A 96 -8.916 5.626 6.052 1.00 0.23 C ATOM 1371 O THR A 96 -8.494 6.695 5.619 1.00 0.30 O ATOM 1372 CB THR A 96 -7.095 4.985 7.620 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.621 4.092 6.615 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.746 4.437 8.995 1.00 0.31 C ATOM 0 H THR A 96 -8.990 3.130 7.380 1.00 0.23 H new ATOM 0 HA THR A 96 -8.931 5.954 8.172 1.00 0.24 H new ATOM 0 HB THR A 96 -6.614 5.956 7.499 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.016 3.206 6.752 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.667 4.307 9.072 1.00 0.31 H new ATOM 0 HG22 THR A 96 -7.083 5.135 9.761 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.239 3.475 9.139 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.650 4.786 5.327 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.224 5.140 4.011 1.00 0.23 C ATOM 1384 C VAL A 97 -11.135 6.388 4.098 1.00 0.29 C ATOM 1385 O VAL A 97 -11.731 6.821 3.112 1.00 0.64 O ATOM 1386 CB VAL A 97 -11.030 3.939 3.441 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.760 4.295 2.148 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.113 2.746 3.211 1.00 0.51 C ATOM 0 H VAL A 97 -9.870 3.836 5.627 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.396 5.377 3.343 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.785 3.678 4.183 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.309 3.424 1.788 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.458 5.111 2.337 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -11.036 4.604 1.394 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.692 1.913 2.812 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.333 3.019 2.501 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.657 2.450 4.156 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.207 6.985 5.275 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.114 8.099 5.518 1.00 0.38 C ATOM 1400 C LYS A 98 -11.668 9.353 4.779 1.00 0.40 C ATOM 1401 O LYS A 98 -11.146 10.284 5.396 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.228 8.426 7.003 1.00 0.55 C ATOM 1403 CG LYS A 98 -11.885 7.265 7.887 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.073 6.413 8.272 1.00 0.53 C ATOM 1405 CE LYS A 98 -13.399 5.421 7.183 1.00 1.34 C ATOM 1406 NZ LYS A 98 -14.558 4.563 7.546 1.00 2.40 N ATOM 0 H LYS A 98 -10.646 6.717 6.083 1.00 0.29 H new ATOM 0 HA LYS A 98 -13.088 7.782 5.145 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.568 9.261 7.237 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.245 8.753 7.220 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -11.151 6.639 7.379 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -11.411 7.640 8.794 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.860 5.883 9.200 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -13.937 7.050 8.460 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.618 5.955 6.258 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -12.529 4.794 6.990 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -14.772 3.918 6.759 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -14.327 4.009 8.395 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -15.386 5.162 7.738 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.868 9.371 3.464 1.00 0.47 N ATOM 1421 CA LEU A 99 -11.552 10.535 2.654 1.00 0.58 C ATOM 1422 C LEU A 99 -10.053 10.813 2.689 1.00 0.73 C ATOM 1423 O LEU A 99 -9.610 11.842 3.208 1.00 1.33 O ATOM 1424 CB LEU A 99 -12.344 11.747 3.138 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.827 11.786 2.743 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.982 11.706 1.232 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.603 10.666 3.423 1.00 0.76 C ATOM 0 H LEU A 99 -12.250 8.585 2.938 1.00 0.47 H new ATOM 0 HA LEU A 99 -11.836 10.334 1.621 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -12.277 11.789 4.225 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.863 12.647 2.754 1.00 0.53 H new ATOM 0 HG LEU A 99 -14.241 12.736 3.081 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -15.040 11.735 0.973 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -13.472 12.550 0.769 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -13.545 10.775 0.870 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -15.651 10.717 3.126 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -14.188 9.703 3.126 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.527 10.775 4.505 1.00 0.76 H new ATOM 1439 N GLU A 100 -9.291 9.867 2.134 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.827 9.919 2.101 1.00 1.25 C ATOM 1441 C GLU A 100 -7.244 9.631 3.482 1.00 2.09 C ATOM 1442 O GLU A 100 -6.649 8.577 3.707 1.00 2.87 O ATOM 1443 CB GLU A 100 -7.312 11.267 1.582 1.00 2.15 C ATOM 1444 CG GLU A 100 -7.821 11.639 0.197 1.00 2.70 C ATOM 1445 CD GLU A 100 -7.284 12.976 -0.274 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -7.565 14.001 0.384 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -6.582 13.011 -1.309 1.00 4.13 O ATOM 0 H GLU A 100 -9.678 9.034 1.690 1.00 1.05 H new ATOM 0 HA GLU A 100 -7.495 9.147 1.407 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.601 12.048 2.285 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -6.222 11.243 1.562 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -7.533 10.864 -0.513 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -8.910 11.672 0.210 1.00 2.70 H new ATOM 1454 N HIS A 101 -7.418 10.569 4.402 1.00 2.68 N ATOM 1455 CA HIS A 101 -6.904 10.430 5.757 1.00 3.89 C ATOM 1456 C HIS A 101 -7.867 11.068 6.743 1.00 4.59 C ATOM 1457 O HIS A 101 -8.131 12.279 6.609 1.00 5.06 O ATOM 1458 CB HIS A 101 -5.519 11.074 5.900 1.00 4.61 C ATOM 1459 CG HIS A 101 -4.441 10.387 5.122 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -3.857 9.208 5.526 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -3.845 10.718 3.954 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -2.948 8.843 4.642 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -2.921 9.742 3.678 1.00 6.64 N ATOM 0 H HIS A 101 -7.916 11.443 4.232 1.00 2.68 H new ATOM 0 HA HIS A 101 -6.808 9.366 5.971 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -5.579 12.113 5.577 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -5.242 11.083 6.954 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -4.057 11.588 3.351 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -2.331 7.958 4.698 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -2.312 9.716 2.860 1.00 6.64 H new TER 1472 HIS A 101