USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1007 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 80 THR OG1 : rot 180:sc= 1.06 USER MOD Set 1.2: A 83 SER OG : rot 71:sc= 1.19 USER MOD Set 2.1: A 60 ASN : amide:sc= 0.509 K(o=0.28,f=-1) USER MOD Set 2.2: A 101 ASN : amide:sc= -0.231 K(o=0.28,f=-4.9!) USER MOD Set 3.1: A 57 TYR OH : rot -101:sc= 1.24 USER MOD Set 3.2: B 204 A O2' : rot 18:sc= 1.23 USER MOD Set 4.1: A 25 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Set 4.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -176:sc= -3.08! (180deg=-3.18!) USER MOD Single : A 7 MET CE :methyl -132:sc= -0.369 (180deg=-3.31!) USER MOD Single : A 10 TYR OH : rot 164:sc= 0.6 USER MOD Single : A 15 SER OG : rot -150:sc= -0.627 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= -0.0177 (180deg=-0.124) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.78 K(o=-0.78,f=-4.3!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 46:sc= 0.913 USER MOD Single : A 29 SER OG : rot -140:sc= -0.0775 USER MOD Single : A 41 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.4!) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.98 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 48 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.023) USER MOD Single : A 49 SER OG : rot 169:sc= 0.317 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 63 SER OG : rot 111:sc= 1.03 USER MOD Single : A 68 SER OG : rot -90:sc= 1.33 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0558) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-0.0035) USER MOD Single : A 87 SER OG : rot 180:sc= 0.85 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0103 USER MOD Single : A 93 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.355) USER MOD Single : A 96 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.7) USER MOD Single : A 98 HIS : no HD1:sc= -3.68! X(o=-3.7!,f=-3.3) USER MOD Single : A 99 CYS SG : rot 25:sc= -3.32! USER MOD Single : A 104 SER OG : rot 180:sc= -0.02 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 107 LYS NZ :NH3+ -140:sc= 0.634 (180deg=0.201) USER MOD Single : A 108 SER OG : rot -19:sc= 0.0382 USER MOD Single : A 116 CYS SG : rot -13:sc= -5.18! USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : B 205 C O2' : rot 6:sc= 0.441 USER MOD Single : B 205 C O3' : rot 37:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.002 20.522 6.815 1.00 4.50 N ATOM 2 CA GLY A 1 -11.537 20.603 6.599 1.00 3.82 C ATOM 3 C GLY A 1 -11.042 19.568 5.615 1.00 3.11 C ATOM 4 O GLY A 1 -10.522 19.910 4.552 1.00 3.68 O ATOM 0 H1 GLY A 1 -13.293 21.251 7.497 1.00 4.50 H new ATOM 0 H2 GLY A 1 -13.495 20.676 5.912 1.00 4.50 H new ATOM 0 H3 GLY A 1 -13.247 19.582 7.187 1.00 4.50 H new ATOM 0 HA2 GLY A 1 -11.280 21.598 6.235 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -11.024 20.470 7.551 1.00 3.82 H new ATOM 10 N ALA A 2 -11.210 18.299 5.964 1.00 2.29 N ATOM 11 CA ALA A 2 -10.734 17.209 5.128 1.00 2.08 C ATOM 12 C ALA A 2 -11.601 15.970 5.299 1.00 1.48 C ATOM 13 O ALA A 2 -12.164 15.728 6.374 1.00 1.84 O ATOM 14 CB ALA A 2 -9.286 16.883 5.457 1.00 2.71 C ATOM 0 H ALA A 2 -11.673 18.001 6.822 1.00 2.29 H new ATOM 0 HA ALA A 2 -10.798 17.530 4.088 1.00 2.08 H new ATOM 0 HB1 ALA A 2 -8.944 16.065 4.823 1.00 2.71 H new ATOM 0 HB2 ALA A 2 -8.666 17.762 5.281 1.00 2.71 H new ATOM 0 HB3 ALA A 2 -9.208 16.588 6.503 1.00 2.71 H new ATOM 20 N MET A 3 -11.710 15.196 4.232 1.00 1.46 N ATOM 21 CA MET A 3 -12.433 13.932 4.269 1.00 1.11 C ATOM 22 C MET A 3 -11.458 12.790 4.070 1.00 0.83 C ATOM 23 O MET A 3 -11.214 12.343 2.948 1.00 0.86 O ATOM 24 CB MET A 3 -13.521 13.886 3.201 1.00 1.57 C ATOM 25 CG MET A 3 -14.341 12.604 3.213 1.00 2.17 C ATOM 26 SD MET A 3 -15.627 12.591 1.949 1.00 3.21 S ATOM 27 CE MET A 3 -16.292 10.942 2.152 1.00 4.12 C ATOM 0 H MET A 3 -11.305 15.421 3.323 1.00 1.46 H new ATOM 0 HA MET A 3 -12.917 13.837 5.241 1.00 1.11 H new ATOM 0 HB2 MET A 3 -14.190 14.735 3.341 1.00 1.57 H new ATOM 0 HB3 MET A 3 -13.059 14.002 2.220 1.00 1.57 H new ATOM 0 HG2 MET A 3 -13.678 11.752 3.061 1.00 2.17 H new ATOM 0 HG3 MET A 3 -14.800 12.480 4.194 1.00 2.17 H new ATOM 0 HE1 MET A 3 -17.099 10.785 1.437 1.00 4.12 H new ATOM 0 HE2 MET A 3 -15.505 10.208 1.978 1.00 4.12 H new ATOM 0 HE3 MET A 3 -16.678 10.827 3.165 1.00 4.12 H new ATOM 37 N ALA A 4 -10.896 12.336 5.167 1.00 0.78 N ATOM 38 CA ALA A 4 -9.899 11.288 5.136 1.00 0.62 C ATOM 39 C ALA A 4 -10.462 9.989 5.685 1.00 0.57 C ATOM 40 O ALA A 4 -11.092 9.972 6.744 1.00 0.79 O ATOM 41 CB ALA A 4 -8.676 11.700 5.939 1.00 0.73 C ATOM 0 H ALA A 4 -11.115 12.680 6.102 1.00 0.78 H new ATOM 0 HA ALA A 4 -9.608 11.129 4.098 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -7.934 10.902 5.907 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -8.250 12.609 5.513 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -8.965 11.885 6.973 1.00 0.73 H new ATOM 47 N MET A 5 -10.254 8.912 4.951 1.00 0.40 N ATOM 48 CA MET A 5 -10.620 7.585 5.414 1.00 0.39 C ATOM 49 C MET A 5 -9.459 6.631 5.211 1.00 0.36 C ATOM 50 O MET A 5 -8.807 6.664 4.175 1.00 0.38 O ATOM 51 CB MET A 5 -11.847 7.054 4.667 1.00 0.41 C ATOM 52 CG MET A 5 -13.149 7.724 5.071 1.00 0.47 C ATOM 53 SD MET A 5 -14.609 6.762 4.621 1.00 0.54 S ATOM 54 CE MET A 5 -14.464 6.748 2.838 1.00 1.31 C ATOM 0 H MET A 5 -9.830 8.930 4.024 1.00 0.40 H new ATOM 0 HA MET A 5 -10.864 7.655 6.474 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.696 7.191 3.596 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.932 5.982 4.843 1.00 0.41 H new ATOM 0 HG2 MET A 5 -13.147 7.888 6.149 1.00 0.47 H new ATOM 0 HG3 MET A 5 -13.208 8.705 4.599 1.00 0.47 H new ATOM 0 HE1 MET A 5 -15.333 6.251 2.406 1.00 1.31 H new ATOM 0 HE2 MET A 5 -14.411 7.772 2.469 1.00 1.31 H new ATOM 0 HE3 MET A 5 -13.559 6.212 2.551 1.00 1.31 H new ATOM 64 N PRO A 6 -9.159 5.787 6.199 1.00 0.38 N ATOM 65 CA PRO A 6 -8.172 4.727 6.024 1.00 0.37 C ATOM 66 C PRO A 6 -8.638 3.768 4.938 1.00 0.32 C ATOM 67 O PRO A 6 -9.762 3.269 4.992 1.00 0.30 O ATOM 68 CB PRO A 6 -8.134 4.026 7.388 1.00 0.47 C ATOM 69 CG PRO A 6 -8.747 4.991 8.344 1.00 0.53 C ATOM 70 CD PRO A 6 -9.741 5.789 7.549 1.00 0.49 C ATOM 0 HA PRO A 6 -7.192 5.096 5.722 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -8.690 3.089 7.364 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -7.112 3.782 7.677 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -9.235 4.468 9.166 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -7.989 5.639 8.784 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -10.730 5.331 7.563 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.852 6.801 7.940 1.00 0.49 H new ATOM 78 N MET A 7 -7.789 3.531 3.944 1.00 0.31 N ATOM 79 CA MET A 7 -8.173 2.724 2.786 1.00 0.28 C ATOM 80 C MET A 7 -8.566 1.303 3.180 1.00 0.27 C ATOM 81 O MET A 7 -9.299 0.637 2.455 1.00 0.29 O ATOM 82 CB MET A 7 -7.057 2.709 1.745 1.00 0.30 C ATOM 83 CG MET A 7 -7.129 3.866 0.760 1.00 0.33 C ATOM 84 SD MET A 7 -8.519 3.722 -0.386 1.00 1.17 S ATOM 85 CE MET A 7 -8.111 2.207 -1.250 1.00 0.48 C ATOM 0 H MET A 7 -6.832 3.884 3.914 1.00 0.31 H new ATOM 0 HA MET A 7 -9.054 3.190 2.346 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.094 2.737 2.256 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.098 1.770 1.193 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.214 4.802 1.311 1.00 0.33 H new ATOM 0 HG3 MET A 7 -6.199 3.913 0.193 1.00 0.33 H new ATOM 0 HE1 MET A 7 -8.211 2.362 -2.324 1.00 0.48 H new ATOM 0 HE2 MET A 7 -7.085 1.921 -1.019 1.00 0.48 H new ATOM 0 HE3 MET A 7 -8.788 1.414 -0.933 1.00 0.48 H new ATOM 95 N ILE A 8 -8.089 0.844 4.326 1.00 0.26 N ATOM 96 CA ILE A 8 -8.540 -0.429 4.862 1.00 0.25 C ATOM 97 C ILE A 8 -10.002 -0.328 5.293 1.00 0.24 C ATOM 98 O ILE A 8 -10.829 -1.143 4.886 1.00 0.26 O ATOM 99 CB ILE A 8 -7.658 -0.897 6.040 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.292 -1.360 5.520 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.333 -2.007 6.834 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.371 -2.514 4.534 1.00 0.27 C ATOM 0 H ILE A 8 -7.397 1.328 4.898 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.452 -1.175 4.073 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.515 -0.052 6.714 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -5.792 -0.518 5.041 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.674 -1.659 6.366 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.685 -2.313 7.655 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.280 -1.644 7.234 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.518 -2.860 6.181 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.366 -2.786 4.211 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -6.842 -3.372 5.015 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -6.962 -2.213 3.669 1.00 0.27 H new ATOM 114 N GLU A 9 -10.322 0.704 6.077 1.00 0.26 N ATOM 115 CA GLU A 9 -11.695 0.931 6.521 1.00 0.28 C ATOM 116 C GLU A 9 -12.605 1.166 5.320 1.00 0.26 C ATOM 117 O GLU A 9 -13.762 0.744 5.313 1.00 0.28 O ATOM 118 CB GLU A 9 -11.782 2.131 7.472 1.00 0.32 C ATOM 119 CG GLU A 9 -13.181 2.345 8.037 1.00 0.40 C ATOM 120 CD GLU A 9 -13.322 3.624 8.838 1.00 0.87 C ATOM 121 OE1 GLU A 9 -12.734 3.708 9.938 1.00 1.01 O ATOM 122 OE2 GLU A 9 -14.044 4.539 8.383 1.00 1.62 O ATOM 0 H GLU A 9 -9.650 1.393 6.415 1.00 0.26 H new ATOM 0 HA GLU A 9 -12.022 0.041 7.058 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -11.082 1.986 8.295 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -11.469 3.031 6.942 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -13.897 2.360 7.216 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.441 1.498 8.672 1.00 0.40 H new ATOM 129 N TYR A 10 -12.070 1.835 4.300 1.00 0.28 N ATOM 130 CA TYR A 10 -12.810 2.076 3.067 1.00 0.29 C ATOM 131 C TYR A 10 -13.315 0.747 2.500 1.00 0.28 C ATOM 132 O TYR A 10 -14.496 0.601 2.171 1.00 0.31 O ATOM 133 CB TYR A 10 -11.916 2.784 2.039 1.00 0.31 C ATOM 134 CG TYR A 10 -12.634 3.177 0.767 1.00 0.39 C ATOM 135 CD1 TYR A 10 -13.356 4.360 0.697 1.00 0.50 C ATOM 136 CD2 TYR A 10 -12.592 2.367 -0.362 1.00 0.47 C ATOM 137 CE1 TYR A 10 -14.020 4.723 -0.457 1.00 0.59 C ATOM 138 CE2 TYR A 10 -13.252 2.725 -1.521 1.00 0.57 C ATOM 139 CZ TYR A 10 -13.965 3.903 -1.562 1.00 0.60 C ATOM 140 OH TYR A 10 -14.630 4.261 -2.713 1.00 0.71 O ATOM 0 H TYR A 10 -11.125 2.219 4.305 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.663 2.719 3.285 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.492 3.678 2.496 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.082 2.129 1.786 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -13.399 5.008 1.560 1.00 0.50 H new ATOM 0 HD2 TYR A 10 -12.034 1.443 -0.332 1.00 0.47 H new ATOM 0 HE1 TYR A 10 -14.580 5.646 -0.493 1.00 0.59 H new ATOM 0 HE2 TYR A 10 -13.209 2.085 -2.390 1.00 0.57 H new ATOM 0 HH TYR A 10 -14.296 3.727 -3.464 1.00 0.71 H new ATOM 150 N LEU A 11 -12.418 -0.226 2.419 1.00 0.27 N ATOM 151 CA LEU A 11 -12.764 -1.544 1.905 1.00 0.28 C ATOM 152 C LEU A 11 -13.695 -2.292 2.851 1.00 0.28 C ATOM 153 O LEU A 11 -14.593 -3.004 2.400 1.00 0.31 O ATOM 154 CB LEU A 11 -11.506 -2.368 1.618 1.00 0.32 C ATOM 155 CG LEU A 11 -10.920 -2.187 0.210 1.00 0.55 C ATOM 156 CD1 LEU A 11 -10.570 -0.733 -0.062 1.00 1.14 C ATOM 157 CD2 LEU A 11 -9.699 -3.071 0.019 1.00 1.24 C ATOM 0 H LEU A 11 -11.443 -0.127 2.703 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.299 -1.396 0.967 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -10.742 -2.105 2.350 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -11.739 -3.423 1.766 1.00 0.32 H new ATOM 0 HG LEU A 11 -11.684 -2.488 -0.507 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -10.158 -0.640 -1.067 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -11.468 -0.121 0.020 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -9.833 -0.394 0.666 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -9.299 -2.928 -0.985 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -8.939 -2.805 0.754 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -9.982 -4.115 0.151 1.00 1.24 H new ATOM 169 N GLU A 12 -13.493 -2.124 4.154 1.00 0.29 N ATOM 170 CA GLU A 12 -14.359 -2.760 5.148 1.00 0.34 C ATOM 171 C GLU A 12 -15.807 -2.335 4.943 1.00 0.39 C ATOM 172 O GLU A 12 -16.718 -3.162 4.905 1.00 0.43 O ATOM 173 CB GLU A 12 -13.936 -2.379 6.570 1.00 0.40 C ATOM 174 CG GLU A 12 -12.490 -2.698 6.891 1.00 0.39 C ATOM 175 CD GLU A 12 -12.115 -2.354 8.315 1.00 0.81 C ATOM 176 OE1 GLU A 12 -12.272 -1.182 8.713 1.00 1.22 O ATOM 177 OE2 GLU A 12 -11.646 -3.248 9.041 1.00 1.50 O ATOM 0 H GLU A 12 -12.742 -1.557 4.548 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.266 -3.838 5.019 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -14.102 -1.311 6.713 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -14.578 -2.899 7.280 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.310 -3.759 6.719 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -11.842 -2.150 6.207 1.00 0.39 H new ATOM 184 N ARG A 13 -15.999 -1.036 4.785 1.00 0.40 N ATOM 185 CA ARG A 13 -17.329 -0.456 4.720 1.00 0.47 C ATOM 186 C ARG A 13 -18.008 -0.726 3.383 1.00 0.45 C ATOM 187 O ARG A 13 -19.150 -1.188 3.343 1.00 0.55 O ATOM 188 CB ARG A 13 -17.251 1.053 4.960 1.00 0.55 C ATOM 189 CG ARG A 13 -16.548 1.424 6.252 1.00 0.80 C ATOM 190 CD ARG A 13 -16.371 2.928 6.384 1.00 0.71 C ATOM 191 NE ARG A 13 -17.642 3.619 6.569 1.00 0.77 N ATOM 192 CZ ARG A 13 -17.801 4.686 7.352 1.00 0.92 C ATOM 193 NH1 ARG A 13 -16.776 5.174 8.048 1.00 1.19 N ATOM 194 NH2 ARG A 13 -18.987 5.271 7.439 1.00 1.10 N ATOM 0 H ARG A 13 -15.242 -0.358 4.699 1.00 0.40 H new ATOM 0 HA ARG A 13 -17.929 -0.928 5.498 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -16.729 1.519 4.125 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -18.261 1.463 4.974 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -17.122 1.049 7.099 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -15.573 0.938 6.288 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -15.717 3.142 7.229 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -15.876 3.313 5.492 1.00 0.71 H new ATOM 0 HE ARG A 13 -18.458 3.265 6.070 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -15.859 4.731 7.985 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -16.907 5.991 8.644 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -19.777 4.905 6.907 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -19.110 6.088 8.038 1.00 1.10 H new ATOM 208 N PHE A 14 -17.309 -0.444 2.289 1.00 0.40 N ATOM 209 CA PHE A 14 -17.948 -0.437 0.976 1.00 0.42 C ATOM 210 C PHE A 14 -17.583 -1.654 0.130 1.00 0.43 C ATOM 211 O PHE A 14 -18.442 -2.238 -0.528 1.00 0.55 O ATOM 212 CB PHE A 14 -17.566 0.831 0.210 1.00 0.42 C ATOM 213 CG PHE A 14 -17.686 2.093 1.017 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.931 2.633 1.287 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.560 2.741 1.498 1.00 0.42 C ATOM 216 CE1 PHE A 14 -19.058 3.793 2.021 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.679 3.904 2.236 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.886 4.422 2.519 1.00 0.60 C ATOM 0 H PHE A 14 -16.314 -0.220 2.282 1.00 0.40 H new ATOM 0 HA PHE A 14 -19.022 -0.468 1.157 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.539 0.734 -0.143 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -18.200 0.915 -0.673 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.817 2.138 0.917 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.580 2.334 1.295 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -20.033 4.216 2.214 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -15.789 4.403 2.590 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.965 5.314 3.123 1.00 0.60 H new ATOM 228 N SER A 15 -16.318 -2.043 0.150 1.00 0.39 N ATOM 229 CA SER A 15 -15.815 -3.011 -0.817 1.00 0.46 C ATOM 230 C SER A 15 -16.137 -4.448 -0.414 1.00 0.49 C ATOM 231 O SER A 15 -16.681 -5.216 -1.206 1.00 0.59 O ATOM 232 CB SER A 15 -14.306 -2.837 -0.973 1.00 0.47 C ATOM 233 OG SER A 15 -13.982 -1.478 -1.207 1.00 1.46 O ATOM 0 H SER A 15 -15.624 -1.708 0.818 1.00 0.39 H new ATOM 0 HA SER A 15 -16.313 -2.823 -1.768 1.00 0.46 H new ATOM 0 HB2 SER A 15 -13.799 -3.188 -0.074 1.00 0.47 H new ATOM 0 HB3 SER A 15 -13.948 -3.450 -1.800 1.00 0.47 H new ATOM 0 HG SER A 15 -13.169 -1.425 -1.752 1.00 1.46 H new ATOM 239 N LEU A 16 -15.800 -4.798 0.815 1.00 0.45 N ATOM 240 CA LEU A 16 -15.969 -6.161 1.298 1.00 0.51 C ATOM 241 C LEU A 16 -17.210 -6.306 2.167 1.00 0.57 C ATOM 242 O LEU A 16 -17.723 -7.411 2.348 1.00 0.67 O ATOM 243 CB LEU A 16 -14.729 -6.585 2.086 1.00 0.54 C ATOM 244 CG LEU A 16 -13.516 -6.968 1.233 1.00 0.57 C ATOM 245 CD1 LEU A 16 -12.272 -7.054 2.093 1.00 1.13 C ATOM 246 CD2 LEU A 16 -13.752 -8.298 0.540 1.00 1.33 C ATOM 0 H LEU A 16 -15.406 -4.155 1.501 1.00 0.45 H new ATOM 0 HA LEU A 16 -16.097 -6.809 0.431 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -14.443 -5.769 2.750 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -14.992 -7.433 2.718 1.00 0.54 H new ATOM 0 HG LEU A 16 -13.373 -6.196 0.477 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -11.419 -7.327 1.472 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -12.086 -6.087 2.561 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -12.415 -7.810 2.866 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -12.880 -8.555 -0.062 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -13.918 -9.074 1.288 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -14.628 -8.222 -0.104 1.00 1.33 H new ATOM 258 N LYS A 17 -17.681 -5.176 2.700 1.00 0.56 N ATOM 259 CA LYS A 17 -18.821 -5.147 3.625 1.00 0.66 C ATOM 260 C LYS A 17 -18.474 -5.883 4.920 1.00 0.72 C ATOM 261 O LYS A 17 -19.343 -6.161 5.748 1.00 0.83 O ATOM 262 CB LYS A 17 -20.077 -5.756 2.984 1.00 0.75 C ATOM 263 CG LYS A 17 -20.549 -5.024 1.738 1.00 0.77 C ATOM 264 CD LYS A 17 -20.942 -3.590 2.049 1.00 1.12 C ATOM 265 CE LYS A 17 -21.357 -2.838 0.794 1.00 1.28 C ATOM 266 NZ LYS A 17 -22.545 -3.449 0.138 1.00 2.11 N ATOM 0 H LYS A 17 -17.285 -4.256 2.504 1.00 0.56 H new ATOM 0 HA LYS A 17 -19.037 -4.104 3.858 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -19.874 -6.796 2.728 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -20.882 -5.760 3.718 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -19.757 -5.031 0.989 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -21.401 -5.550 1.306 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -21.764 -3.585 2.765 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -20.104 -3.077 2.521 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -21.579 -1.802 1.050 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -20.524 -2.821 0.091 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -22.894 -2.815 -0.609 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -22.279 -4.363 -0.281 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -23.294 -3.597 0.844 1.00 2.11 H new ATOM 280 N ALA A 18 -17.194 -6.169 5.089 1.00 0.68 N ATOM 281 CA ALA A 18 -16.704 -6.920 6.226 1.00 0.75 C ATOM 282 C ALA A 18 -15.428 -6.286 6.751 1.00 0.72 C ATOM 283 O ALA A 18 -14.629 -5.756 5.979 1.00 0.96 O ATOM 284 CB ALA A 18 -16.452 -8.366 5.826 1.00 0.78 C ATOM 0 H ALA A 18 -16.464 -5.884 4.436 1.00 0.68 H new ATOM 0 HA ALA A 18 -17.455 -6.904 7.016 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -16.084 -8.923 6.688 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -17.382 -8.814 5.475 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -15.710 -8.399 5.028 1.00 0.78 H new ATOM 290 N LYS A 19 -15.253 -6.339 8.063 1.00 0.64 N ATOM 291 CA LYS A 19 -14.083 -5.758 8.709 1.00 0.62 C ATOM 292 C LYS A 19 -12.828 -6.540 8.364 1.00 0.55 C ATOM 293 O LYS A 19 -12.808 -7.772 8.407 1.00 0.61 O ATOM 294 CB LYS A 19 -14.283 -5.700 10.229 1.00 0.72 C ATOM 295 CG LYS A 19 -13.026 -5.322 10.998 1.00 0.76 C ATOM 296 CD LYS A 19 -13.345 -4.794 12.383 1.00 1.24 C ATOM 297 CE LYS A 19 -14.057 -3.457 12.302 1.00 2.05 C ATOM 298 NZ LYS A 19 -14.231 -2.842 13.639 1.00 2.59 N ATOM 0 H LYS A 19 -15.910 -6.781 8.706 1.00 0.64 H new ATOM 0 HA LYS A 19 -13.959 -4.741 8.337 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -15.068 -4.978 10.456 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -14.633 -6.672 10.578 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -12.377 -6.194 11.083 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -12.473 -4.566 10.440 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -13.970 -5.511 12.915 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -12.424 -4.686 12.956 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -13.489 -2.781 11.663 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -15.033 -3.593 11.835 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -14.721 -1.930 13.541 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -14.795 -3.475 14.242 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -13.299 -2.689 14.074 1.00 2.59 H new ATOM 312 N ILE A 20 -11.788 -5.801 8.025 1.00 0.48 N ATOM 313 CA ILE A 20 -10.522 -6.380 7.636 1.00 0.45 C ATOM 314 C ILE A 20 -9.814 -6.969 8.848 1.00 0.54 C ATOM 315 O ILE A 20 -9.395 -6.244 9.756 1.00 0.61 O ATOM 316 CB ILE A 20 -9.620 -5.317 6.974 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.184 -4.904 5.612 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.187 -5.821 6.824 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.321 -6.053 4.646 1.00 0.30 C ATOM 0 H ILE A 20 -11.800 -4.781 8.013 1.00 0.48 H new ATOM 0 HA ILE A 20 -10.719 -7.175 6.916 1.00 0.45 H new ATOM 0 HB ILE A 20 -9.604 -4.443 7.626 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.161 -4.443 5.757 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -9.535 -4.146 5.173 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -7.577 -5.049 6.355 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -7.780 -6.057 7.807 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.180 -6.717 6.203 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -10.726 -5.688 3.702 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.343 -6.501 4.472 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -10.993 -6.802 5.064 1.00 0.30 H new ATOM 331 N ASN A 21 -9.693 -8.282 8.854 1.00 0.59 N ATOM 332 CA ASN A 21 -8.993 -8.987 9.912 1.00 0.73 C ATOM 333 C ASN A 21 -7.802 -9.724 9.326 1.00 0.75 C ATOM 334 O ASN A 21 -7.518 -9.597 8.137 1.00 0.71 O ATOM 335 CB ASN A 21 -9.918 -9.976 10.639 1.00 0.83 C ATOM 336 CG ASN A 21 -10.871 -9.305 11.617 1.00 1.27 C ATOM 337 OD1 ASN A 21 -11.323 -8.182 11.401 1.00 1.96 O ATOM 338 ND2 ASN A 21 -11.174 -9.987 12.713 1.00 1.76 N ATOM 0 H ASN A 21 -10.075 -8.889 8.129 1.00 0.59 H new ATOM 0 HA ASN A 21 -8.652 -8.254 10.643 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -10.498 -10.530 9.900 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -9.309 -10.703 11.177 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -11.800 -9.582 13.409 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -10.781 -10.917 12.860 1.00 1.76 H new ATOM 345 N ASN A 22 -7.117 -10.504 10.139 1.00 0.88 N ATOM 346 CA ASN A 22 -5.948 -11.240 9.667 1.00 0.98 C ATOM 347 C ASN A 22 -6.365 -12.359 8.715 1.00 0.93 C ATOM 348 O ASN A 22 -5.604 -12.767 7.835 1.00 1.05 O ATOM 349 CB ASN A 22 -5.171 -11.824 10.848 1.00 1.19 C ATOM 350 CG ASN A 22 -4.665 -10.755 11.800 1.00 1.98 C ATOM 351 OD1 ASN A 22 -5.369 -10.341 12.723 1.00 2.79 O ATOM 352 ND2 ASN A 22 -3.445 -10.304 11.584 1.00 2.54 N ATOM 0 H ASN A 22 -7.343 -10.648 11.123 1.00 0.88 H new ATOM 0 HA ASN A 22 -5.303 -10.545 9.129 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -5.812 -12.517 11.393 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -4.326 -12.401 10.472 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -3.052 -9.586 12.192 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -2.895 -10.673 10.809 1.00 2.54 H new ATOM 359 N THR A 23 -7.593 -12.829 8.886 1.00 0.85 N ATOM 360 CA THR A 23 -8.104 -13.964 8.132 1.00 0.88 C ATOM 361 C THR A 23 -8.722 -13.541 6.793 1.00 0.71 C ATOM 362 O THR A 23 -8.856 -14.354 5.879 1.00 0.74 O ATOM 363 CB THR A 23 -9.154 -14.716 8.971 1.00 1.04 C ATOM 364 OG1 THR A 23 -8.637 -14.951 10.287 1.00 1.30 O ATOM 365 CG2 THR A 23 -9.537 -16.045 8.334 1.00 1.69 C ATOM 0 H THR A 23 -8.261 -12.435 9.549 1.00 0.85 H new ATOM 0 HA THR A 23 -7.259 -14.617 7.913 1.00 0.88 H new ATOM 0 HB THR A 23 -10.049 -14.096 9.022 1.00 1.04 H new ATOM 0 HG1 THR A 23 -9.306 -15.428 10.821 1.00 1.30 H new ATOM 0 HG21 THR A 23 -10.280 -16.546 8.955 1.00 1.69 H new ATOM 0 HG22 THR A 23 -9.954 -15.867 7.343 1.00 1.69 H new ATOM 0 HG23 THR A 23 -8.652 -16.675 8.247 1.00 1.69 H new ATOM 373 N THR A 24 -9.082 -12.273 6.662 1.00 0.57 N ATOM 374 CA THR A 24 -9.773 -11.814 5.464 1.00 0.45 C ATOM 375 C THR A 24 -8.803 -11.564 4.309 1.00 0.42 C ATOM 376 O THR A 24 -7.899 -10.734 4.411 1.00 0.50 O ATOM 377 CB THR A 24 -10.576 -10.530 5.743 1.00 0.44 C ATOM 378 OG1 THR A 24 -9.759 -9.588 6.442 1.00 1.08 O ATOM 379 CG2 THR A 24 -11.825 -10.829 6.557 1.00 0.92 C ATOM 0 H THR A 24 -8.910 -11.550 7.361 1.00 0.57 H new ATOM 0 HA THR A 24 -10.458 -12.611 5.175 1.00 0.45 H new ATOM 0 HB THR A 24 -10.884 -10.108 4.786 1.00 0.44 H new ATOM 0 HG1 THR A 24 -8.879 -9.536 6.013 1.00 1.08 H new ATOM 0 HG21 THR A 24 -12.371 -9.903 6.738 1.00 0.92 H new ATOM 0 HG22 THR A 24 -12.460 -11.524 6.007 1.00 0.92 H new ATOM 0 HG23 THR A 24 -11.540 -11.275 7.510 1.00 0.92 H new ATOM 387 N ASN A 25 -9.004 -12.286 3.213 1.00 0.43 N ATOM 388 CA ASN A 25 -8.199 -12.102 2.013 1.00 0.52 C ATOM 389 C ASN A 25 -8.868 -11.105 1.081 1.00 0.50 C ATOM 390 O ASN A 25 -9.844 -11.426 0.403 1.00 0.52 O ATOM 391 CB ASN A 25 -7.984 -13.431 1.280 1.00 0.64 C ATOM 392 CG ASN A 25 -6.820 -14.234 1.831 1.00 0.91 C ATOM 393 OD1 ASN A 25 -6.479 -14.137 3.007 1.00 1.72 O ATOM 394 ND2 ASN A 25 -6.207 -15.044 0.982 1.00 1.40 N ATOM 0 H ASN A 25 -9.721 -13.007 3.131 1.00 0.43 H new ATOM 0 HA ASN A 25 -7.226 -11.717 2.318 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -8.894 -14.028 1.348 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -7.812 -13.232 0.222 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -5.423 -15.615 1.298 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -6.519 -15.097 0.012 1.00 1.40 H new ATOM 401 N LEU A 26 -8.336 -9.892 1.057 1.00 0.56 N ATOM 402 CA LEU A 26 -8.874 -8.820 0.221 1.00 0.60 C ATOM 403 C LEU A 26 -8.792 -9.177 -1.261 1.00 0.60 C ATOM 404 O LEU A 26 -9.569 -8.663 -2.069 1.00 0.63 O ATOM 405 CB LEU A 26 -8.114 -7.515 0.473 1.00 0.68 C ATOM 406 CG LEU A 26 -8.225 -6.944 1.891 1.00 0.78 C ATOM 407 CD1 LEU A 26 -7.299 -7.669 2.858 1.00 1.36 C ATOM 408 CD2 LEU A 26 -7.925 -5.460 1.877 1.00 1.61 C ATOM 0 H LEU A 26 -7.524 -9.620 1.611 1.00 0.56 H new ATOM 0 HA LEU A 26 -9.922 -8.689 0.489 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -7.060 -7.681 0.249 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -8.475 -6.764 -0.230 1.00 0.68 H new ATOM 0 HG LEU A 26 -9.247 -7.097 2.239 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -7.404 -7.238 3.854 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -7.562 -8.726 2.890 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -6.267 -7.562 2.523 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -8.006 -5.063 2.889 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -6.914 -5.297 1.503 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -8.638 -4.951 1.229 1.00 1.61 H new ATOM 420 N ASP A 27 -7.850 -10.060 -1.595 1.00 0.60 N ATOM 421 CA ASP A 27 -7.574 -10.463 -2.981 1.00 0.61 C ATOM 422 C ASP A 27 -8.843 -10.783 -3.757 1.00 0.64 C ATOM 423 O ASP A 27 -9.008 -10.341 -4.892 1.00 0.71 O ATOM 424 CB ASP A 27 -6.655 -11.689 -2.997 1.00 0.63 C ATOM 425 CG ASP A 27 -6.478 -12.278 -4.389 1.00 0.60 C ATOM 426 OD1 ASP A 27 -5.634 -11.763 -5.154 1.00 0.80 O ATOM 427 OD2 ASP A 27 -7.187 -13.246 -4.732 1.00 0.73 O ATOM 0 H ASP A 27 -7.251 -10.521 -0.909 1.00 0.60 H new ATOM 0 HA ASP A 27 -7.089 -9.617 -3.467 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -5.679 -11.411 -2.599 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -7.064 -12.452 -2.334 1.00 0.63 H new ATOM 432 N TYR A 28 -9.748 -11.517 -3.119 1.00 0.70 N ATOM 433 CA TYR A 28 -10.931 -12.042 -3.791 1.00 0.84 C ATOM 434 C TYR A 28 -11.751 -10.933 -4.440 1.00 0.89 C ATOM 435 O TYR A 28 -12.192 -11.073 -5.574 1.00 1.21 O ATOM 436 CB TYR A 28 -11.813 -12.815 -2.808 1.00 0.96 C ATOM 437 CG TYR A 28 -11.079 -13.888 -2.033 1.00 0.93 C ATOM 438 CD1 TYR A 28 -10.031 -14.589 -2.615 1.00 1.22 C ATOM 439 CD2 TYR A 28 -11.431 -14.199 -0.726 1.00 1.09 C ATOM 440 CE1 TYR A 28 -9.357 -15.572 -1.917 1.00 1.31 C ATOM 441 CE2 TYR A 28 -10.763 -15.181 -0.022 1.00 1.13 C ATOM 442 CZ TYR A 28 -9.736 -15.854 -0.599 1.00 1.08 C ATOM 443 OH TYR A 28 -9.061 -16.847 0.077 1.00 1.22 O ATOM 0 H TYR A 28 -9.684 -11.763 -2.131 1.00 0.70 H new ATOM 0 HA TYR A 28 -10.581 -12.715 -4.574 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -12.256 -12.112 -2.103 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -12.634 -13.276 -3.358 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -9.738 -14.362 -3.629 1.00 1.22 H new ATOM 0 HD2 TYR A 28 -12.241 -13.664 -0.252 1.00 1.09 H new ATOM 0 HE1 TYR A 28 -8.548 -16.116 -2.382 1.00 1.31 H new ATOM 0 HE2 TYR A 28 -11.059 -15.414 0.990 1.00 1.13 H new ATOM 0 HH TYR A 28 -9.428 -16.935 0.981 1.00 1.22 H new ATOM 453 N SER A 29 -11.939 -9.830 -3.730 1.00 0.70 N ATOM 454 CA SER A 29 -12.779 -8.750 -4.228 1.00 0.71 C ATOM 455 C SER A 29 -11.948 -7.654 -4.866 1.00 0.59 C ATOM 456 O SER A 29 -12.299 -7.140 -5.925 1.00 0.61 O ATOM 457 CB SER A 29 -13.607 -8.168 -3.093 1.00 0.81 C ATOM 458 OG SER A 29 -14.227 -9.208 -2.351 1.00 1.03 O ATOM 0 H SER A 29 -11.525 -9.660 -2.814 1.00 0.70 H new ATOM 0 HA SER A 29 -13.440 -9.165 -4.989 1.00 0.71 H new ATOM 0 HB2 SER A 29 -12.971 -7.574 -2.437 1.00 0.81 H new ATOM 0 HB3 SER A 29 -14.366 -7.497 -3.495 1.00 0.81 H new ATOM 0 HG SER A 29 -15.138 -8.940 -2.111 1.00 1.03 H new ATOM 464 N ARG A 30 -10.837 -7.310 -4.224 1.00 0.54 N ATOM 465 CA ARG A 30 -10.004 -6.203 -4.678 1.00 0.52 C ATOM 466 C ARG A 30 -9.499 -6.448 -6.097 1.00 0.42 C ATOM 467 O ARG A 30 -9.230 -5.510 -6.836 1.00 0.40 O ATOM 468 CB ARG A 30 -8.849 -5.934 -3.713 1.00 0.58 C ATOM 469 CG ARG A 30 -7.724 -6.946 -3.780 1.00 0.86 C ATOM 470 CD ARG A 30 -6.643 -6.622 -2.762 1.00 1.15 C ATOM 471 NE ARG A 30 -6.149 -5.258 -2.916 1.00 1.84 N ATOM 472 CZ ARG A 30 -5.660 -4.526 -1.916 1.00 2.40 C ATOM 473 NH1 ARG A 30 -5.571 -5.040 -0.695 1.00 2.56 N ATOM 474 NH2 ARG A 30 -5.252 -3.283 -2.138 1.00 3.30 N ATOM 0 H ARG A 30 -10.493 -7.782 -3.388 1.00 0.54 H new ATOM 0 HA ARG A 30 -10.624 -5.307 -4.693 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -8.443 -4.944 -3.920 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -9.240 -5.912 -2.696 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -8.117 -7.946 -3.594 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -7.295 -6.954 -4.782 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.040 -6.754 -1.755 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -5.816 -7.323 -2.873 1.00 1.15 H new ATOM 0 HE ARG A 30 -6.180 -4.839 -3.846 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -5.877 -5.997 -0.521 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -5.196 -4.478 0.069 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -5.312 -2.886 -3.076 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -4.878 -2.724 -1.371 1.00 3.30 H new ATOM 488 N ARG A 31 -9.355 -7.715 -6.454 1.00 0.42 N ATOM 489 CA ARG A 31 -8.984 -8.102 -7.809 1.00 0.45 C ATOM 490 C ARG A 31 -9.994 -7.568 -8.837 1.00 0.46 C ATOM 491 O ARG A 31 -9.617 -7.133 -9.925 1.00 0.57 O ATOM 492 CB ARG A 31 -8.903 -9.624 -7.887 1.00 0.57 C ATOM 493 CG ARG A 31 -8.542 -10.171 -9.255 1.00 0.83 C ATOM 494 CD ARG A 31 -8.363 -11.677 -9.202 1.00 1.22 C ATOM 495 NE ARG A 31 -7.383 -12.067 -8.188 1.00 1.73 N ATOM 496 CZ ARG A 31 -6.515 -13.062 -8.331 1.00 2.33 C ATOM 497 NH1 ARG A 31 -6.531 -13.809 -9.427 1.00 2.65 N ATOM 498 NH2 ARG A 31 -5.642 -13.317 -7.369 1.00 3.18 N ATOM 0 H ARG A 31 -9.491 -8.501 -5.818 1.00 0.42 H new ATOM 0 HA ARG A 31 -8.013 -7.667 -8.046 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -8.164 -9.972 -7.165 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -9.864 -10.041 -7.586 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -9.324 -9.918 -9.971 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -7.623 -9.703 -9.608 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -9.320 -12.150 -8.985 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -8.042 -12.041 -10.178 1.00 1.22 H new ATOM 0 HE ARG A 31 -7.365 -11.541 -7.315 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -7.211 -13.620 -10.163 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -5.863 -14.572 -9.534 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -5.637 -12.750 -6.521 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -4.974 -14.080 -7.476 1.00 3.18 H new ATOM 512 N PHE A 32 -11.282 -7.602 -8.485 1.00 0.45 N ATOM 513 CA PHE A 32 -12.324 -7.049 -9.356 1.00 0.49 C ATOM 514 C PHE A 32 -12.393 -5.545 -9.162 1.00 0.43 C ATOM 515 O PHE A 32 -12.920 -4.814 -9.997 1.00 0.49 O ATOM 516 CB PHE A 32 -13.705 -7.631 -9.039 1.00 0.59 C ATOM 517 CG PHE A 32 -13.739 -9.110 -8.797 1.00 0.98 C ATOM 518 CD1 PHE A 32 -13.189 -10.004 -9.703 1.00 1.54 C ATOM 519 CD2 PHE A 32 -14.332 -9.603 -7.650 1.00 1.11 C ATOM 520 CE1 PHE A 32 -13.234 -11.364 -9.463 1.00 2.18 C ATOM 521 CE2 PHE A 32 -14.383 -10.957 -7.407 1.00 1.68 C ATOM 522 CZ PHE A 32 -13.832 -11.842 -8.314 1.00 2.21 C ATOM 0 H PHE A 32 -11.627 -8.002 -7.612 1.00 0.45 H new ATOM 0 HA PHE A 32 -12.063 -7.307 -10.382 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -14.100 -7.126 -8.157 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -14.377 -7.400 -9.866 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -12.722 -9.634 -10.604 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -14.761 -8.917 -6.935 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -12.802 -12.053 -10.174 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -14.853 -11.327 -6.508 1.00 1.68 H new ATOM 0 HZ PHE A 32 -13.869 -12.905 -8.125 1.00 2.21 H new ATOM 532 N LEU A 33 -11.860 -5.103 -8.036 1.00 0.41 N ATOM 533 CA LEU A 33 -11.893 -3.703 -7.655 1.00 0.39 C ATOM 534 C LEU A 33 -10.745 -2.934 -8.313 1.00 0.30 C ATOM 535 O LEU A 33 -10.746 -1.709 -8.329 1.00 0.31 O ATOM 536 CB LEU A 33 -11.835 -3.591 -6.123 1.00 0.47 C ATOM 537 CG LEU A 33 -12.976 -4.287 -5.380 1.00 0.63 C ATOM 538 CD1 LEU A 33 -12.833 -4.070 -3.885 1.00 0.74 C ATOM 539 CD2 LEU A 33 -14.329 -3.790 -5.868 1.00 0.72 C ATOM 0 H LEU A 33 -11.392 -5.706 -7.360 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.824 -3.256 -8.004 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -10.889 -4.009 -5.779 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -11.835 -2.536 -5.851 1.00 0.47 H new ATOM 0 HG LEU A 33 -12.920 -5.356 -5.586 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -13.650 -4.570 -3.365 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -11.882 -4.482 -3.547 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -12.864 -3.002 -3.668 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -15.123 -4.301 -5.323 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -14.405 -2.716 -5.697 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -14.430 -3.996 -6.934 1.00 0.72 H new ATOM 551 N GLU A 34 -9.779 -3.675 -8.865 1.00 0.27 N ATOM 552 CA GLU A 34 -8.646 -3.098 -9.602 1.00 0.25 C ATOM 553 C GLU A 34 -9.051 -1.958 -10.549 1.00 0.25 C ATOM 554 O GLU A 34 -8.463 -0.880 -10.480 1.00 0.26 O ATOM 555 CB GLU A 34 -7.919 -4.187 -10.391 1.00 0.28 C ATOM 556 CG GLU A 34 -6.785 -4.850 -9.634 1.00 0.35 C ATOM 557 CD GLU A 34 -6.176 -6.007 -10.403 1.00 0.48 C ATOM 558 OE1 GLU A 34 -6.248 -6.010 -11.647 1.00 0.71 O ATOM 559 OE2 GLU A 34 -5.598 -6.917 -9.766 1.00 0.65 O ATOM 0 H GLU A 34 -9.759 -4.694 -8.814 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.982 -2.667 -8.853 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.640 -4.950 -10.685 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.523 -3.752 -11.309 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -6.012 -4.111 -9.422 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -7.154 -5.210 -8.674 1.00 0.35 H new ATOM 566 N PRO A 35 -10.047 -2.155 -11.448 1.00 0.28 N ATOM 567 CA PRO A 35 -10.472 -1.103 -12.376 1.00 0.33 C ATOM 568 C PRO A 35 -10.978 0.143 -11.656 1.00 0.32 C ATOM 569 O PRO A 35 -10.900 1.251 -12.184 1.00 0.36 O ATOM 570 CB PRO A 35 -11.610 -1.738 -13.178 1.00 0.41 C ATOM 571 CG PRO A 35 -11.460 -3.206 -12.989 1.00 0.54 C ATOM 572 CD PRO A 35 -10.810 -3.400 -11.652 1.00 0.30 C ATOM 0 HA PRO A 35 -9.638 -0.768 -12.993 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.581 -1.394 -12.821 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.544 -1.470 -14.232 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.430 -3.703 -13.024 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -10.851 -3.639 -13.783 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -11.550 -3.549 -10.865 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.159 -4.274 -11.647 1.00 0.30 H new ATOM 580 N PHE A 36 -11.508 -0.052 -10.456 1.00 0.32 N ATOM 581 CA PHE A 36 -11.990 1.054 -9.639 1.00 0.36 C ATOM 582 C PHE A 36 -10.823 1.743 -8.934 1.00 0.34 C ATOM 583 O PHE A 36 -10.807 2.967 -8.789 1.00 0.37 O ATOM 584 CB PHE A 36 -13.014 0.556 -8.613 1.00 0.44 C ATOM 585 CG PHE A 36 -13.456 1.614 -7.636 1.00 0.51 C ATOM 586 CD1 PHE A 36 -14.293 2.643 -8.041 1.00 0.58 C ATOM 587 CD2 PHE A 36 -13.026 1.583 -6.319 1.00 0.57 C ATOM 588 CE1 PHE A 36 -14.692 3.620 -7.150 1.00 0.67 C ATOM 589 CE2 PHE A 36 -13.422 2.559 -5.424 1.00 0.67 C ATOM 590 CZ PHE A 36 -14.256 3.579 -5.841 1.00 0.72 C ATOM 0 H PHE A 36 -11.615 -0.970 -10.025 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.478 1.778 -10.291 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.888 0.174 -9.141 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -12.585 -0.280 -8.060 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.637 2.681 -9.064 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -12.374 0.788 -5.988 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -15.345 4.416 -7.477 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -13.080 2.525 -4.400 1.00 0.67 H new ATOM 0 HZ PHE A 36 -14.566 4.343 -5.144 1.00 0.72 H new ATOM 600 N LEU A 37 -9.848 0.947 -8.505 1.00 0.32 N ATOM 601 CA LEU A 37 -8.644 1.467 -7.857 1.00 0.34 C ATOM 602 C LEU A 37 -7.805 2.261 -8.853 1.00 0.30 C ATOM 603 O LEU A 37 -6.972 3.084 -8.469 1.00 0.31 O ATOM 604 CB LEU A 37 -7.807 0.323 -7.264 1.00 0.39 C ATOM 605 CG LEU A 37 -8.185 -0.131 -5.844 1.00 0.47 C ATOM 606 CD1 LEU A 37 -7.939 0.980 -4.843 1.00 1.04 C ATOM 607 CD2 LEU A 37 -9.631 -0.583 -5.769 1.00 0.90 C ATOM 0 H LEU A 37 -9.867 -0.069 -8.595 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.954 2.128 -7.047 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.882 -0.537 -7.930 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.761 0.631 -7.258 1.00 0.39 H new ATOM 0 HG LEU A 37 -7.550 -0.981 -5.596 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -8.213 0.638 -3.845 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -6.884 1.254 -4.856 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -8.543 1.848 -5.107 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -9.862 -0.896 -4.751 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -10.285 0.242 -6.052 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -9.787 -1.420 -6.450 1.00 0.90 H new ATOM 619 N ARG A 38 -8.029 1.998 -10.133 1.00 0.30 N ATOM 620 CA ARG A 38 -7.347 2.716 -11.195 1.00 0.34 C ATOM 621 C ARG A 38 -7.806 4.166 -11.244 1.00 0.34 C ATOM 622 O ARG A 38 -8.946 4.456 -11.617 1.00 0.43 O ATOM 623 CB ARG A 38 -7.614 2.066 -12.554 1.00 0.45 C ATOM 624 CG ARG A 38 -6.962 2.815 -13.705 1.00 0.56 C ATOM 625 CD ARG A 38 -7.600 2.473 -15.037 1.00 0.90 C ATOM 626 NE ARG A 38 -7.392 1.080 -15.425 1.00 1.91 N ATOM 627 CZ ARG A 38 -8.064 0.486 -16.410 1.00 2.44 C ATOM 628 NH1 ARG A 38 -9.032 1.140 -17.045 1.00 2.16 N ATOM 629 NH2 ARG A 38 -7.773 -0.758 -16.756 1.00 3.59 N ATOM 0 H ARG A 38 -8.683 1.287 -10.460 1.00 0.30 H new ATOM 0 HA ARG A 38 -6.279 2.678 -10.981 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -7.246 1.040 -12.539 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -8.690 2.016 -12.722 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -7.040 3.888 -13.530 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -5.899 2.574 -13.739 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -8.670 2.674 -14.984 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -7.191 3.125 -15.809 1.00 0.90 H new ATOM 0 HE ARG A 38 -6.697 0.534 -14.916 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -9.261 2.098 -16.778 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -9.546 0.684 -17.799 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -7.033 -1.263 -16.268 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -8.288 -1.211 -17.510 1.00 3.59 H new ATOM 643 N GLY A 39 -6.924 5.071 -10.861 1.00 0.29 N ATOM 644 CA GLY A 39 -7.221 6.477 -10.985 1.00 0.29 C ATOM 645 C GLY A 39 -7.697 7.094 -9.690 1.00 0.28 C ATOM 646 O GLY A 39 -8.345 8.142 -9.700 1.00 0.38 O ATOM 0 H GLY A 39 -6.008 4.857 -10.467 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -6.329 7.003 -11.326 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.985 6.616 -11.750 1.00 0.29 H new ATOM 650 N ILE A 40 -7.378 6.461 -8.568 1.00 0.26 N ATOM 651 CA ILE A 40 -7.752 7.031 -7.278 1.00 0.25 C ATOM 652 C ILE A 40 -6.592 7.849 -6.746 1.00 0.26 C ATOM 653 O ILE A 40 -5.494 7.789 -7.287 1.00 0.32 O ATOM 654 CB ILE A 40 -8.156 5.970 -6.221 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.967 5.084 -5.838 1.00 0.21 C ATOM 656 CG2 ILE A 40 -9.312 5.124 -6.730 1.00 0.24 C ATOM 657 CD1 ILE A 40 -7.172 4.295 -4.556 1.00 0.23 C ATOM 0 H ILE A 40 -6.874 5.575 -8.522 1.00 0.26 H new ATOM 0 HA ILE A 40 -8.633 7.650 -7.450 1.00 0.25 H new ATOM 0 HB ILE A 40 -8.480 6.498 -5.324 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.768 4.388 -6.653 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -6.081 5.710 -5.730 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.582 4.385 -5.976 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -10.170 5.765 -6.934 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -9.014 4.615 -7.646 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.286 3.693 -4.354 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -7.340 4.984 -3.728 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -8.038 3.642 -4.665 1.00 0.23 H new ATOM 669 N ASN A 41 -6.824 8.625 -5.711 1.00 0.31 N ATOM 670 CA ASN A 41 -5.750 9.377 -5.097 1.00 0.33 C ATOM 671 C ASN A 41 -5.723 9.080 -3.609 1.00 0.32 C ATOM 672 O ASN A 41 -6.771 8.974 -2.969 1.00 0.40 O ATOM 673 CB ASN A 41 -5.903 10.879 -5.363 1.00 0.43 C ATOM 674 CG ASN A 41 -6.881 11.571 -4.422 1.00 1.11 C ATOM 675 OD1 ASN A 41 -6.481 12.130 -3.403 1.00 1.99 O ATOM 676 ND2 ASN A 41 -8.163 11.549 -4.759 1.00 1.65 N ATOM 0 H ASN A 41 -7.739 8.752 -5.279 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.801 9.072 -5.538 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -4.927 11.356 -5.273 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -6.236 11.025 -6.391 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -8.854 12.006 -4.165 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -8.458 11.075 -5.613 1.00 1.65 H new ATOM 683 N VAL A 42 -4.531 8.907 -3.066 1.00 0.29 N ATOM 684 CA VAL A 42 -4.389 8.553 -1.671 1.00 0.31 C ATOM 685 C VAL A 42 -3.369 9.455 -1.012 1.00 0.23 C ATOM 686 O VAL A 42 -2.362 9.810 -1.622 1.00 0.23 O ATOM 687 CB VAL A 42 -3.943 7.080 -1.484 1.00 0.39 C ATOM 688 CG1 VAL A 42 -5.020 6.110 -1.936 1.00 0.66 C ATOM 689 CG2 VAL A 42 -2.637 6.805 -2.222 1.00 0.93 C ATOM 0 H VAL A 42 -3.651 9.006 -3.571 1.00 0.29 H new ATOM 0 HA VAL A 42 -5.368 8.677 -1.208 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.777 6.925 -0.418 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.673 5.087 -1.790 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -5.925 6.273 -1.351 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -5.236 6.273 -2.992 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -2.347 5.765 -2.074 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -2.774 6.996 -3.286 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -1.855 7.458 -1.834 1.00 0.93 H new ATOM 699 N VAL A 43 -3.627 9.846 0.218 1.00 0.21 N ATOM 700 CA VAL A 43 -2.619 10.530 0.987 1.00 0.19 C ATOM 701 C VAL A 43 -1.881 9.489 1.801 1.00 0.21 C ATOM 702 O VAL A 43 -2.377 8.992 2.814 1.00 0.24 O ATOM 703 CB VAL A 43 -3.214 11.619 1.900 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.115 12.317 2.689 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.002 12.624 1.072 1.00 0.25 C ATOM 0 H VAL A 43 -4.515 9.703 0.699 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.940 11.047 0.310 1.00 0.19 H new ATOM 0 HB VAL A 43 -3.892 11.146 2.610 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.556 13.083 3.328 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.591 11.587 3.306 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.411 12.782 1.999 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.418 13.389 1.728 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.341 13.092 0.342 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.812 12.112 0.552 1.00 0.25 H new ATOM 715 N TYR A 44 -0.702 9.150 1.333 1.00 0.22 N ATOM 716 CA TYR A 44 0.057 8.067 1.905 1.00 0.26 C ATOM 717 C TYR A 44 0.921 8.585 3.033 1.00 0.31 C ATOM 718 O TYR A 44 1.774 9.442 2.821 1.00 0.37 O ATOM 719 CB TYR A 44 0.917 7.412 0.828 1.00 0.31 C ATOM 720 CG TYR A 44 1.525 6.107 1.265 1.00 0.52 C ATOM 721 CD1 TYR A 44 0.804 4.926 1.196 1.00 0.36 C ATOM 722 CD2 TYR A 44 2.824 6.061 1.747 1.00 1.24 C ATOM 723 CE1 TYR A 44 1.362 3.731 1.594 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.390 4.870 2.147 1.00 1.69 C ATOM 725 CZ TYR A 44 2.639 3.701 2.073 1.00 1.41 C ATOM 726 OH TYR A 44 3.204 2.515 2.464 1.00 1.85 O ATOM 0 H TYR A 44 -0.246 9.616 0.549 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.627 7.319 2.306 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.308 7.242 -0.060 1.00 0.31 H new ATOM 0 HB3 TYR A 44 1.714 8.098 0.542 1.00 0.31 H new ATOM 0 HD1 TYR A 44 -0.210 4.942 0.825 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.401 6.972 1.810 1.00 1.24 H new ATOM 0 HE1 TYR A 44 0.789 2.818 1.527 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.405 4.844 2.514 1.00 1.69 H new ATOM 0 HH TYR A 44 4.118 2.676 2.778 1.00 1.85 H new ATOM 736 N THR A 45 0.681 8.084 4.229 1.00 0.32 N ATOM 737 CA THR A 45 1.431 8.523 5.385 1.00 0.39 C ATOM 738 C THR A 45 2.438 7.456 5.799 1.00 0.41 C ATOM 739 O THR A 45 2.073 6.429 6.374 1.00 0.44 O ATOM 740 CB THR A 45 0.491 8.847 6.561 1.00 0.47 C ATOM 741 OG1 THR A 45 -0.573 9.693 6.103 1.00 1.27 O ATOM 742 CG2 THR A 45 1.245 9.545 7.686 1.00 0.96 C ATOM 0 H THR A 45 -0.026 7.375 4.423 1.00 0.32 H new ATOM 0 HA THR A 45 1.968 9.432 5.115 1.00 0.39 H new ATOM 0 HB THR A 45 0.085 7.912 6.946 1.00 0.47 H new ATOM 0 HG1 THR A 45 -1.173 9.898 6.851 1.00 1.27 H new ATOM 0 HG21 THR A 45 0.558 9.763 8.504 1.00 0.96 H new ATOM 0 HG22 THR A 45 2.044 8.897 8.046 1.00 0.96 H new ATOM 0 HG23 THR A 45 1.673 10.476 7.314 1.00 0.96 H new ATOM 750 N PRO A 46 3.720 7.682 5.486 1.00 0.45 N ATOM 751 CA PRO A 46 4.798 6.772 5.850 1.00 0.51 C ATOM 752 C PRO A 46 5.182 6.924 7.317 1.00 0.52 C ATOM 753 O PRO A 46 5.341 8.043 7.812 1.00 0.57 O ATOM 754 CB PRO A 46 5.967 7.197 4.946 1.00 0.56 C ATOM 755 CG PRO A 46 5.429 8.268 4.049 1.00 0.58 C ATOM 756 CD PRO A 46 4.226 8.835 4.741 1.00 0.51 C ATOM 0 HA PRO A 46 4.514 5.728 5.720 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.803 7.568 5.539 1.00 0.56 H new ATOM 0 HB3 PRO A 46 6.338 6.352 4.366 1.00 0.56 H new ATOM 0 HG2 PRO A 46 6.177 9.041 3.875 1.00 0.58 H new ATOM 0 HG3 PRO A 46 5.160 7.860 3.075 1.00 0.58 H new ATOM 0 HD2 PRO A 46 4.489 9.662 5.401 1.00 0.51 H new ATOM 0 HD3 PRO A 46 3.491 9.215 4.032 1.00 0.51 H new ATOM 764 N PRO A 47 5.315 5.793 8.032 1.00 0.60 N ATOM 765 CA PRO A 47 5.694 5.781 9.446 1.00 0.68 C ATOM 766 C PRO A 47 6.991 6.546 9.702 1.00 0.62 C ATOM 767 O PRO A 47 7.844 6.671 8.817 1.00 0.56 O ATOM 768 CB PRO A 47 5.876 4.291 9.774 1.00 0.82 C ATOM 769 CG PRO A 47 5.881 3.581 8.463 1.00 0.86 C ATOM 770 CD PRO A 47 5.088 4.436 7.518 1.00 0.73 C ATOM 0 HA PRO A 47 4.942 6.270 10.066 1.00 0.68 H new ATOM 0 HB2 PRO A 47 6.808 4.121 10.314 1.00 0.82 H new ATOM 0 HB3 PRO A 47 5.068 3.930 10.411 1.00 0.82 H new ATOM 0 HG2 PRO A 47 6.899 3.442 8.100 1.00 0.86 H new ATOM 0 HG3 PRO A 47 5.437 2.590 8.556 1.00 0.86 H new ATOM 0 HD2 PRO A 47 5.435 4.330 6.490 1.00 0.73 H new ATOM 0 HD3 PRO A 47 4.030 4.173 7.526 1.00 0.73 H new ATOM 778 N GLN A 48 7.130 7.038 10.927 1.00 0.73 N ATOM 779 CA GLN A 48 8.246 7.902 11.308 1.00 0.79 C ATOM 780 C GLN A 48 9.589 7.174 11.245 1.00 0.67 C ATOM 781 O GLN A 48 10.640 7.793 11.410 1.00 0.73 O ATOM 782 CB GLN A 48 8.015 8.470 12.711 1.00 1.03 C ATOM 783 CG GLN A 48 7.808 7.407 13.777 1.00 0.91 C ATOM 784 CD GLN A 48 7.456 7.992 15.132 1.00 1.24 C ATOM 785 OE1 GLN A 48 7.786 7.419 16.166 1.00 1.91 O ATOM 786 NE2 GLN A 48 6.773 9.128 15.139 1.00 1.84 N ATOM 0 H GLN A 48 6.474 6.851 11.685 1.00 0.73 H new ATOM 0 HA GLN A 48 8.288 8.719 10.587 1.00 0.79 H new ATOM 0 HB2 GLN A 48 8.870 9.087 12.988 1.00 1.03 H new ATOM 0 HB3 GLN A 48 7.143 9.124 12.689 1.00 1.03 H new ATOM 0 HG2 GLN A 48 7.013 6.732 13.460 1.00 0.91 H new ATOM 0 HG3 GLN A 48 8.715 6.810 13.869 1.00 0.91 H new ATOM 0 HE21 GLN A 48 6.517 9.575 14.258 1.00 1.84 H new ATOM 0 HE22 GLN A 48 6.504 9.556 16.025 1.00 1.84 H new ATOM 795 N SER A 49 9.555 5.870 11.004 1.00 0.60 N ATOM 796 CA SER A 49 10.773 5.099 10.832 1.00 0.59 C ATOM 797 C SER A 49 11.347 5.308 9.430 1.00 0.62 C ATOM 798 O SER A 49 12.534 5.080 9.192 1.00 0.71 O ATOM 799 CB SER A 49 10.495 3.620 11.097 1.00 0.71 C ATOM 800 OG SER A 49 9.308 3.195 10.445 1.00 1.55 O ATOM 0 H SER A 49 8.696 5.326 10.924 1.00 0.60 H new ATOM 0 HA SER A 49 11.516 5.444 11.551 1.00 0.59 H new ATOM 0 HB2 SER A 49 11.337 3.021 10.751 1.00 0.71 H new ATOM 0 HB3 SER A 49 10.404 3.451 12.170 1.00 0.71 H new ATOM 0 HG SER A 49 9.247 2.218 10.481 1.00 1.55 H new ATOM 806 N PHE A 50 10.499 5.755 8.507 1.00 0.62 N ATOM 807 CA PHE A 50 10.944 6.105 7.164 1.00 0.66 C ATOM 808 C PHE A 50 11.294 7.587 7.099 1.00 0.67 C ATOM 809 O PHE A 50 11.979 8.041 6.177 1.00 0.79 O ATOM 810 CB PHE A 50 9.869 5.784 6.122 1.00 0.69 C ATOM 811 CG PHE A 50 9.677 4.315 5.873 1.00 0.71 C ATOM 812 CD1 PHE A 50 8.800 3.574 6.645 1.00 0.80 C ATOM 813 CD2 PHE A 50 10.369 3.681 4.855 1.00 0.91 C ATOM 814 CE1 PHE A 50 8.618 2.225 6.408 1.00 0.89 C ATOM 815 CE2 PHE A 50 10.193 2.333 4.614 1.00 1.01 C ATOM 816 CZ PHE A 50 9.316 1.604 5.390 1.00 0.93 C ATOM 0 H PHE A 50 9.500 5.883 8.666 1.00 0.62 H new ATOM 0 HA PHE A 50 11.829 5.510 6.938 1.00 0.66 H new ATOM 0 HB2 PHE A 50 8.922 6.213 6.448 1.00 0.69 H new ATOM 0 HB3 PHE A 50 10.132 6.270 5.182 1.00 0.69 H new ATOM 0 HD1 PHE A 50 8.252 4.055 7.441 1.00 0.80 H new ATOM 0 HD2 PHE A 50 11.055 4.248 4.242 1.00 0.91 H new ATOM 0 HE1 PHE A 50 7.931 1.657 7.018 1.00 0.89 H new ATOM 0 HE2 PHE A 50 10.741 1.850 3.819 1.00 1.01 H new ATOM 0 HZ PHE A 50 9.175 0.550 5.202 1.00 0.93 H new ATOM 826 N GLN A 51 10.807 8.324 8.101 1.00 0.62 N ATOM 827 CA GLN A 51 11.068 9.757 8.249 1.00 0.70 C ATOM 828 C GLN A 51 10.539 10.540 7.051 1.00 0.62 C ATOM 829 O GLN A 51 11.111 11.554 6.650 1.00 0.72 O ATOM 830 CB GLN A 51 12.566 10.018 8.434 1.00 0.93 C ATOM 831 CG GLN A 51 13.190 9.224 9.571 1.00 1.08 C ATOM 832 CD GLN A 51 14.627 9.620 9.834 1.00 1.45 C ATOM 833 OE1 GLN A 51 15.008 10.778 9.654 1.00 1.53 O ATOM 834 NE2 GLN A 51 15.442 8.660 10.235 1.00 2.20 N ATOM 0 H GLN A 51 10.216 7.939 8.838 1.00 0.62 H new ATOM 0 HA GLN A 51 10.541 10.100 9.139 1.00 0.70 H new ATOM 0 HB2 GLN A 51 13.085 9.776 7.506 1.00 0.93 H new ATOM 0 HB3 GLN A 51 12.720 11.081 8.618 1.00 0.93 H new ATOM 0 HG2 GLN A 51 12.604 9.372 10.478 1.00 1.08 H new ATOM 0 HG3 GLN A 51 13.147 8.161 9.334 1.00 1.08 H new ATOM 0 HE21 GLN A 51 15.087 7.714 10.372 1.00 2.20 H new ATOM 0 HE22 GLN A 51 16.426 8.865 10.407 1.00 2.20 H new ATOM 843 N SER A 52 9.435 10.074 6.493 1.00 0.51 N ATOM 844 CA SER A 52 8.857 10.701 5.320 1.00 0.50 C ATOM 845 C SER A 52 7.572 11.437 5.696 1.00 0.48 C ATOM 846 O SER A 52 7.143 11.407 6.852 1.00 0.54 O ATOM 847 CB SER A 52 8.590 9.641 4.246 1.00 0.53 C ATOM 848 OG SER A 52 8.325 10.235 2.985 1.00 1.18 O ATOM 0 H SER A 52 8.921 9.262 6.835 1.00 0.51 H new ATOM 0 HA SER A 52 9.558 11.432 4.917 1.00 0.50 H new ATOM 0 HB2 SER A 52 9.452 8.979 4.164 1.00 0.53 H new ATOM 0 HB3 SER A 52 7.742 9.024 4.544 1.00 0.53 H new ATOM 0 HG SER A 52 8.160 9.533 2.321 1.00 1.18 H new ATOM 854 N ALA A 53 6.962 12.082 4.715 1.00 0.54 N ATOM 855 CA ALA A 53 5.787 12.908 4.944 1.00 0.60 C ATOM 856 C ALA A 53 4.639 12.439 4.063 1.00 0.51 C ATOM 857 O ALA A 53 4.866 11.957 2.954 1.00 0.50 O ATOM 858 CB ALA A 53 6.116 14.366 4.655 1.00 0.80 C ATOM 0 H ALA A 53 7.265 12.048 3.742 1.00 0.54 H new ATOM 0 HA ALA A 53 5.484 12.816 5.987 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.232 14.980 4.828 1.00 0.80 H new ATOM 0 HB2 ALA A 53 6.921 14.695 5.313 1.00 0.80 H new ATOM 0 HB3 ALA A 53 6.431 14.469 3.617 1.00 0.80 H new ATOM 864 N PRO A 54 3.393 12.560 4.550 1.00 0.50 N ATOM 865 CA PRO A 54 2.208 12.150 3.791 1.00 0.43 C ATOM 866 C PRO A 54 2.051 12.927 2.487 1.00 0.38 C ATOM 867 O PRO A 54 2.097 14.160 2.472 1.00 0.41 O ATOM 868 CB PRO A 54 1.043 12.457 4.739 1.00 0.47 C ATOM 869 CG PRO A 54 1.589 13.426 5.731 1.00 0.63 C ATOM 870 CD PRO A 54 3.043 13.091 5.876 1.00 0.57 C ATOM 0 HA PRO A 54 2.266 11.103 3.493 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.197 12.882 4.198 1.00 0.47 H new ATOM 0 HB3 PRO A 54 0.685 11.551 5.229 1.00 0.47 H new ATOM 0 HG2 PRO A 54 1.457 14.452 5.388 1.00 0.63 H new ATOM 0 HG3 PRO A 54 1.071 13.340 6.686 1.00 0.63 H new ATOM 0 HD2 PRO A 54 3.637 13.970 6.129 1.00 0.57 H new ATOM 0 HD3 PRO A 54 3.211 12.356 6.663 1.00 0.57 H new ATOM 878 N ARG A 55 1.839 12.198 1.399 1.00 0.37 N ATOM 879 CA ARG A 55 1.731 12.797 0.076 1.00 0.40 C ATOM 880 C ARG A 55 0.555 12.206 -0.683 1.00 0.31 C ATOM 881 O ARG A 55 0.181 11.055 -0.460 1.00 0.31 O ATOM 882 CB ARG A 55 3.006 12.558 -0.730 1.00 0.60 C ATOM 883 CG ARG A 55 4.245 13.206 -0.146 1.00 1.07 C ATOM 884 CD ARG A 55 5.475 12.880 -0.971 1.00 1.04 C ATOM 885 NE ARG A 55 6.695 13.428 -0.385 1.00 1.50 N ATOM 886 CZ ARG A 55 7.917 12.999 -0.693 1.00 1.68 C ATOM 887 NH1 ARG A 55 8.071 12.030 -1.589 1.00 1.47 N ATOM 888 NH2 ARG A 55 8.981 13.542 -0.109 1.00 2.51 N ATOM 0 H ARG A 55 1.738 11.183 1.408 1.00 0.37 H new ATOM 0 HA ARG A 55 1.580 13.868 0.209 1.00 0.40 H new ATOM 0 HB2 ARG A 55 3.175 11.484 -0.810 1.00 0.60 H new ATOM 0 HB3 ARG A 55 2.857 12.933 -1.743 1.00 0.60 H new ATOM 0 HG2 ARG A 55 4.108 14.287 -0.104 1.00 1.07 H new ATOM 0 HG3 ARG A 55 4.390 12.863 0.878 1.00 1.07 H new ATOM 0 HD2 ARG A 55 5.572 11.798 -1.063 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.349 13.275 -1.979 1.00 1.04 H new ATOM 0 HE ARG A 55 6.606 14.181 0.298 1.00 1.50 H new ATOM 0 HH11 ARG A 55 7.254 11.617 -2.039 1.00 1.47 H new ATOM 0 HH12 ARG A 55 9.006 11.699 -1.827 1.00 1.47 H new ATOM 0 HH21 ARG A 55 8.862 14.288 0.576 1.00 2.51 H new ATOM 0 HH22 ARG A 55 9.917 13.212 -0.346 1.00 2.51 H new ATOM 902 N VAL A 56 -0.016 12.992 -1.579 1.00 0.35 N ATOM 903 CA VAL A 56 -1.103 12.524 -2.426 1.00 0.35 C ATOM 904 C VAL A 56 -0.542 11.832 -3.662 1.00 0.38 C ATOM 905 O VAL A 56 0.224 12.431 -4.419 1.00 0.53 O ATOM 906 CB VAL A 56 -2.013 13.687 -2.871 1.00 0.49 C ATOM 907 CG1 VAL A 56 -3.197 13.171 -3.678 1.00 1.13 C ATOM 908 CG2 VAL A 56 -2.490 14.487 -1.669 1.00 1.25 C ATOM 0 H VAL A 56 0.256 13.962 -1.740 1.00 0.35 H new ATOM 0 HA VAL A 56 -1.696 11.822 -1.841 1.00 0.35 H new ATOM 0 HB VAL A 56 -1.429 14.348 -3.511 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -3.824 14.010 -3.981 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -2.834 12.651 -4.565 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -3.781 12.483 -3.067 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -3.130 15.302 -2.005 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -3.052 13.837 -0.999 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -1.630 14.896 -1.140 1.00 1.25 H new ATOM 918 N TYR A 57 -0.917 10.580 -3.865 1.00 0.30 N ATOM 919 CA TYR A 57 -0.431 9.817 -5.004 1.00 0.33 C ATOM 920 C TYR A 57 -1.597 9.288 -5.813 1.00 0.29 C ATOM 921 O TYR A 57 -2.603 8.852 -5.250 1.00 0.25 O ATOM 922 CB TYR A 57 0.455 8.646 -4.559 1.00 0.36 C ATOM 923 CG TYR A 57 1.846 9.045 -4.119 1.00 0.47 C ATOM 924 CD1 TYR A 57 2.830 9.313 -5.060 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.184 9.132 -2.772 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.109 9.658 -4.678 1.00 0.82 C ATOM 927 CE2 TYR A 57 3.464 9.482 -2.382 1.00 0.56 C ATOM 928 CZ TYR A 57 4.422 9.744 -3.340 1.00 0.70 C ATOM 929 OH TYR A 57 5.703 10.079 -2.963 1.00 0.83 O ATOM 0 H TYR A 57 -1.557 10.070 -3.256 1.00 0.30 H new ATOM 0 HA TYR A 57 0.170 10.488 -5.619 1.00 0.33 H new ATOM 0 HB2 TYR A 57 -0.037 8.126 -3.737 1.00 0.36 H new ATOM 0 HB3 TYR A 57 0.537 7.936 -5.382 1.00 0.36 H new ATOM 0 HD1 TYR A 57 2.590 9.250 -6.111 1.00 0.70 H new ATOM 0 HD2 TYR A 57 1.437 8.923 -2.021 1.00 0.46 H new ATOM 0 HE1 TYR A 57 4.862 9.860 -5.425 1.00 0.82 H new ATOM 0 HE2 TYR A 57 3.712 9.550 -1.333 1.00 0.56 H new ATOM 0 HH TYR A 57 6.191 9.269 -2.707 1.00 0.83 H new ATOM 939 N ARG A 58 -1.466 9.337 -7.129 1.00 0.36 N ATOM 940 CA ARG A 58 -2.493 8.806 -8.005 1.00 0.34 C ATOM 941 C ARG A 58 -2.263 7.313 -8.200 1.00 0.32 C ATOM 942 O ARG A 58 -1.326 6.889 -8.877 1.00 0.39 O ATOM 943 CB ARG A 58 -2.504 9.556 -9.345 1.00 0.41 C ATOM 944 CG ARG A 58 -3.649 9.173 -10.280 1.00 0.47 C ATOM 945 CD ARG A 58 -3.318 7.942 -11.114 1.00 1.05 C ATOM 946 NE ARG A 58 -2.257 8.198 -12.091 1.00 1.91 N ATOM 947 CZ ARG A 58 -1.280 7.335 -12.383 1.00 2.95 C ATOM 948 NH1 ARG A 58 -1.125 6.230 -11.665 1.00 3.38 N ATOM 949 NH2 ARG A 58 -0.431 7.593 -13.371 1.00 3.81 N ATOM 0 H ARG A 58 -0.661 9.738 -7.611 1.00 0.36 H new ATOM 0 HA ARG A 58 -3.472 8.951 -7.549 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -2.557 10.626 -9.147 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -1.559 9.373 -9.856 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -4.548 8.982 -9.693 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -3.872 10.010 -10.942 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -3.012 7.131 -10.454 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -4.215 7.608 -11.635 1.00 1.05 H new ATOM 0 HE ARG A 58 -2.265 9.093 -12.580 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -1.754 6.036 -10.886 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -0.377 5.575 -11.893 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -0.523 8.453 -13.911 1.00 3.81 H new ATOM 0 HH22 ARG A 58 0.313 6.931 -13.590 1.00 3.81 H new ATOM 963 N VAL A 59 -3.120 6.529 -7.583 1.00 0.29 N ATOM 964 CA VAL A 59 -3.019 5.086 -7.628 1.00 0.27 C ATOM 965 C VAL A 59 -3.483 4.561 -8.980 1.00 0.27 C ATOM 966 O VAL A 59 -4.616 4.821 -9.409 1.00 0.29 O ATOM 967 CB VAL A 59 -3.851 4.447 -6.500 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.700 2.939 -6.484 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.460 5.037 -5.155 1.00 0.24 C ATOM 0 H VAL A 59 -3.908 6.874 -7.035 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.973 4.814 -7.486 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.900 4.672 -6.691 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -4.301 2.522 -5.676 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -4.038 2.529 -7.436 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.653 2.680 -6.329 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -4.057 4.576 -4.368 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.403 4.847 -4.968 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.640 6.112 -5.163 1.00 0.24 H new ATOM 979 N ASN A 60 -2.583 3.842 -9.646 1.00 0.28 N ATOM 980 CA ASN A 60 -2.838 3.281 -10.968 1.00 0.32 C ATOM 981 C ASN A 60 -3.690 2.025 -10.854 1.00 0.35 C ATOM 982 O ASN A 60 -4.464 1.699 -11.750 1.00 0.46 O ATOM 983 CB ASN A 60 -1.508 2.941 -11.650 1.00 0.39 C ATOM 984 CG ASN A 60 -1.679 2.391 -13.053 1.00 1.24 C ATOM 985 OD1 ASN A 60 -2.569 2.803 -13.796 1.00 1.61 O ATOM 986 ND2 ASN A 60 -0.827 1.445 -13.419 1.00 2.10 N ATOM 0 H ASN A 60 -1.654 3.632 -9.282 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.375 4.018 -11.565 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.889 3.837 -11.691 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -0.972 2.211 -11.043 1.00 0.39 H new ATOM 0 HD21 ASN A 60 -0.895 1.029 -14.348 1.00 2.10 H new ATOM 0 HD22 ASN A 60 -0.103 1.132 -12.772 1.00 2.10 H new ATOM 993 N GLY A 61 -3.529 1.317 -9.746 1.00 0.29 N ATOM 994 CA GLY A 61 -4.330 0.136 -9.504 1.00 0.35 C ATOM 995 C GLY A 61 -3.794 -0.686 -8.357 1.00 0.30 C ATOM 996 O GLY A 61 -3.277 -0.141 -7.383 1.00 0.24 O ATOM 0 H GLY A 61 -2.858 1.539 -9.011 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -5.357 0.432 -9.289 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -4.357 -0.475 -10.406 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.895 -1.995 -8.476 1.00 0.40 N ATOM 1001 CA LEU A 62 -3.477 -2.895 -7.415 1.00 0.37 C ATOM 1002 C LEU A 62 -2.465 -3.893 -7.927 1.00 0.40 C ATOM 1003 O LEU A 62 -2.344 -4.108 -9.134 1.00 0.46 O ATOM 1004 CB LEU A 62 -4.681 -3.647 -6.858 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.753 -2.772 -6.221 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.875 -3.629 -5.682 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -5.153 -1.939 -5.108 1.00 0.42 C ATOM 0 H LEU A 62 -4.266 -2.464 -9.303 1.00 0.40 H new ATOM 0 HA LEU A 62 -3.021 -2.297 -6.626 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -5.136 -4.222 -7.665 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -4.330 -4.363 -6.115 1.00 0.36 H new ATOM 0 HG LEU A 62 -6.157 -2.104 -6.982 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -7.635 -2.992 -5.229 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -7.320 -4.201 -6.497 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -6.481 -4.314 -4.931 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.928 -1.318 -4.660 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.731 -2.597 -4.348 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -4.367 -1.302 -5.513 1.00 0.42 H new ATOM 1019 N SER A 63 -1.737 -4.489 -7.007 1.00 0.39 N ATOM 1020 CA SER A 63 -0.814 -5.545 -7.339 1.00 0.45 C ATOM 1021 C SER A 63 -1.525 -6.883 -7.231 1.00 0.43 C ATOM 1022 O SER A 63 -2.346 -7.085 -6.338 1.00 0.51 O ATOM 1023 CB SER A 63 0.384 -5.492 -6.396 1.00 0.53 C ATOM 1024 OG SER A 63 -0.008 -5.676 -5.046 1.00 1.45 O ATOM 0 H SER A 63 -1.770 -4.255 -6.015 1.00 0.39 H new ATOM 0 HA SER A 63 -0.455 -5.419 -8.360 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.102 -6.263 -6.675 1.00 0.53 H new ATOM 0 HB3 SER A 63 0.889 -4.532 -6.502 1.00 0.53 H new ATOM 0 HG SER A 63 0.326 -6.539 -4.723 1.00 1.45 H new ATOM 1030 N ARG A 64 -1.220 -7.786 -8.148 1.00 0.51 N ATOM 1031 CA ARG A 64 -1.845 -9.098 -8.162 1.00 0.56 C ATOM 1032 C ARG A 64 -1.167 -10.018 -7.142 1.00 0.47 C ATOM 1033 O ARG A 64 -1.600 -11.149 -6.914 1.00 0.54 O ATOM 1034 CB ARG A 64 -1.780 -9.690 -9.577 1.00 0.75 C ATOM 1035 CG ARG A 64 -2.598 -10.959 -9.761 1.00 1.20 C ATOM 1036 CD ARG A 64 -4.036 -10.779 -9.296 1.00 1.80 C ATOM 1037 NE ARG A 64 -4.736 -9.715 -10.019 1.00 2.42 N ATOM 1038 CZ ARG A 64 -5.563 -9.928 -11.040 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -5.727 -11.147 -11.533 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -6.221 -8.915 -11.581 1.00 3.98 N ATOM 0 H ARG A 64 -0.542 -7.634 -8.894 1.00 0.51 H new ATOM 0 HA ARG A 64 -2.894 -9.002 -7.880 1.00 0.56 H new ATOM 0 HB2 ARG A 64 -2.128 -8.941 -10.288 1.00 0.75 H new ATOM 0 HB3 ARG A 64 -0.740 -9.903 -9.822 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -2.590 -11.247 -10.812 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -2.135 -11.773 -9.204 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -4.576 -11.717 -9.427 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -4.043 -10.553 -8.230 1.00 1.80 H new ATOM 0 HE ARG A 64 -4.580 -8.752 -9.722 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -5.217 -11.933 -11.130 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -6.363 -11.299 -12.316 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -6.094 -7.971 -11.216 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -6.855 -9.078 -12.363 1.00 3.98 H new ATOM 1054 N ALA A 65 -0.097 -9.521 -6.539 1.00 0.42 N ATOM 1055 CA ALA A 65 0.622 -10.255 -5.511 1.00 0.44 C ATOM 1056 C ALA A 65 0.758 -9.406 -4.249 1.00 0.42 C ATOM 1057 O ALA A 65 1.000 -8.201 -4.329 1.00 0.43 O ATOM 1058 CB ALA A 65 1.993 -10.669 -6.024 1.00 0.59 C ATOM 0 H ALA A 65 0.295 -8.603 -6.748 1.00 0.42 H new ATOM 0 HA ALA A 65 0.057 -11.154 -5.263 1.00 0.44 H new ATOM 0 HB1 ALA A 65 2.522 -11.218 -5.245 1.00 0.59 H new ATOM 0 HB2 ALA A 65 1.876 -11.305 -6.901 1.00 0.59 H new ATOM 0 HB3 ALA A 65 2.564 -9.781 -6.294 1.00 0.59 H new ATOM 1064 N PRO A 66 0.582 -10.025 -3.071 1.00 0.41 N ATOM 1065 CA PRO A 66 0.711 -9.335 -1.781 1.00 0.42 C ATOM 1066 C PRO A 66 2.161 -8.975 -1.457 1.00 0.43 C ATOM 1067 O PRO A 66 3.103 -9.559 -2.004 1.00 0.45 O ATOM 1068 CB PRO A 66 0.179 -10.361 -0.778 1.00 0.46 C ATOM 1069 CG PRO A 66 0.394 -11.681 -1.429 1.00 0.62 C ATOM 1070 CD PRO A 66 0.229 -11.447 -2.904 1.00 0.46 C ATOM 0 HA PRO A 66 0.173 -8.387 -1.769 1.00 0.42 H new ATOM 0 HB2 PRO A 66 0.711 -10.298 0.171 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.877 -10.193 -0.564 1.00 0.46 H new ATOM 0 HG2 PRO A 66 1.387 -12.070 -1.204 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -0.325 -12.416 -1.068 1.00 0.62 H new ATOM 0 HD2 PRO A 66 0.883 -12.094 -3.488 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -0.791 -11.648 -3.230 1.00 0.46 H new ATOM 1078 N ALA A 67 2.323 -8.021 -0.540 1.00 0.54 N ATOM 1079 CA ALA A 67 3.639 -7.497 -0.167 1.00 0.63 C ATOM 1080 C ALA A 67 4.529 -8.564 0.459 1.00 0.52 C ATOM 1081 O ALA A 67 5.743 -8.386 0.573 1.00 0.57 O ATOM 1082 CB ALA A 67 3.484 -6.328 0.794 1.00 0.88 C ATOM 0 H ALA A 67 1.548 -7.590 -0.035 1.00 0.54 H new ATOM 0 HA ALA A 67 4.123 -7.160 -1.084 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.469 -5.946 1.065 1.00 0.88 H new ATOM 0 HB2 ALA A 67 2.907 -5.537 0.315 1.00 0.88 H new ATOM 0 HB3 ALA A 67 2.965 -6.662 1.692 1.00 0.88 H new ATOM 1088 N SER A 68 3.923 -9.665 0.871 1.00 0.49 N ATOM 1089 CA SER A 68 4.657 -10.762 1.477 1.00 0.52 C ATOM 1090 C SER A 68 5.174 -11.731 0.419 1.00 0.47 C ATOM 1091 O SER A 68 5.930 -12.651 0.725 1.00 0.58 O ATOM 1092 CB SER A 68 3.752 -11.486 2.471 1.00 0.64 C ATOM 1093 OG SER A 68 2.463 -11.695 1.916 1.00 1.73 O ATOM 0 H SER A 68 2.918 -9.823 0.796 1.00 0.49 H new ATOM 0 HA SER A 68 5.523 -10.358 2.002 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.196 -12.444 2.743 1.00 0.64 H new ATOM 0 HB3 SER A 68 3.668 -10.901 3.387 1.00 0.64 H new ATOM 0 HG SER A 68 1.888 -10.930 2.126 1.00 1.73 H new ATOM 1099 N SER A 69 4.775 -11.515 -0.829 1.00 0.43 N ATOM 1100 CA SER A 69 5.157 -12.410 -1.909 1.00 0.52 C ATOM 1101 C SER A 69 6.196 -11.748 -2.817 1.00 0.56 C ATOM 1102 O SER A 69 6.998 -12.433 -3.456 1.00 0.88 O ATOM 1103 CB SER A 69 3.914 -12.814 -2.711 1.00 0.67 C ATOM 1104 OG SER A 69 4.148 -13.970 -3.502 1.00 1.30 O ATOM 0 H SER A 69 4.189 -10.730 -1.115 1.00 0.43 H new ATOM 0 HA SER A 69 5.608 -13.306 -1.483 1.00 0.52 H new ATOM 0 HB2 SER A 69 3.086 -13.003 -2.027 1.00 0.67 H new ATOM 0 HB3 SER A 69 3.613 -11.988 -3.355 1.00 0.67 H new ATOM 0 HG SER A 69 3.334 -14.198 -3.997 1.00 1.30 H new ATOM 1110 N GLU A 70 6.185 -10.418 -2.865 1.00 0.52 N ATOM 1111 CA GLU A 70 7.122 -9.672 -3.704 1.00 0.53 C ATOM 1112 C GLU A 70 8.447 -9.448 -2.980 1.00 0.47 C ATOM 1113 O GLU A 70 8.471 -9.164 -1.780 1.00 0.45 O ATOM 1114 CB GLU A 70 6.510 -8.333 -4.129 1.00 0.64 C ATOM 1115 CG GLU A 70 5.439 -8.469 -5.202 1.00 1.19 C ATOM 1116 CD GLU A 70 6.018 -8.849 -6.553 1.00 1.34 C ATOM 1117 OE1 GLU A 70 6.624 -9.938 -6.668 1.00 1.74 O ATOM 1118 OE2 GLU A 70 5.887 -8.055 -7.509 1.00 1.91 O ATOM 0 H GLU A 70 5.539 -9.834 -2.334 1.00 0.52 H new ATOM 0 HA GLU A 70 7.322 -10.264 -4.597 1.00 0.53 H new ATOM 0 HB2 GLU A 70 6.078 -7.846 -3.255 1.00 0.64 H new ATOM 0 HB3 GLU A 70 7.302 -7.681 -4.498 1.00 0.64 H new ATOM 0 HG2 GLU A 70 4.715 -9.224 -4.895 1.00 1.19 H new ATOM 0 HG3 GLU A 70 4.898 -7.527 -5.293 1.00 1.19 H new ATOM 1125 N THR A 71 9.543 -9.571 -3.721 1.00 0.52 N ATOM 1126 CA THR A 71 10.880 -9.470 -3.151 1.00 0.53 C ATOM 1127 C THR A 71 11.743 -8.476 -3.929 1.00 0.61 C ATOM 1128 O THR A 71 11.453 -8.159 -5.086 1.00 0.70 O ATOM 1129 CB THR A 71 11.585 -10.842 -3.160 1.00 0.54 C ATOM 1130 OG1 THR A 71 11.588 -11.384 -4.490 1.00 1.06 O ATOM 1131 CG2 THR A 71 10.903 -11.818 -2.215 1.00 0.91 C ATOM 0 H THR A 71 9.530 -9.742 -4.726 1.00 0.52 H new ATOM 0 HA THR A 71 10.763 -9.120 -2.125 1.00 0.53 H new ATOM 0 HB THR A 71 12.610 -10.694 -2.821 1.00 0.54 H new ATOM 0 HG1 THR A 71 11.892 -12.315 -4.463 1.00 1.06 H new ATOM 0 HG21 THR A 71 11.423 -12.776 -2.244 1.00 0.91 H new ATOM 0 HG22 THR A 71 10.930 -11.421 -1.200 1.00 0.91 H new ATOM 0 HG23 THR A 71 9.867 -11.958 -2.523 1.00 0.91 H new ATOM 1139 N PHE A 72 12.794 -7.988 -3.284 1.00 0.63 N ATOM 1140 CA PHE A 72 13.790 -7.149 -3.940 1.00 0.72 C ATOM 1141 C PHE A 72 15.164 -7.442 -3.344 1.00 0.70 C ATOM 1142 O PHE A 72 15.264 -7.881 -2.193 1.00 0.66 O ATOM 1143 CB PHE A 72 13.440 -5.660 -3.797 1.00 0.84 C ATOM 1144 CG PHE A 72 13.517 -5.128 -2.392 1.00 0.56 C ATOM 1145 CD1 PHE A 72 12.485 -5.343 -1.495 1.00 0.85 C ATOM 1146 CD2 PHE A 72 14.622 -4.402 -1.973 1.00 0.55 C ATOM 1147 CE1 PHE A 72 12.552 -4.846 -0.207 1.00 1.33 C ATOM 1148 CE2 PHE A 72 14.696 -3.903 -0.687 1.00 0.79 C ATOM 1149 CZ PHE A 72 13.660 -4.125 0.196 1.00 1.27 C ATOM 0 H PHE A 72 12.981 -8.161 -2.296 1.00 0.63 H new ATOM 0 HA PHE A 72 13.802 -7.379 -5.005 1.00 0.72 H new ATOM 0 HB2 PHE A 72 14.114 -5.080 -4.428 1.00 0.84 H new ATOM 0 HB3 PHE A 72 12.431 -5.500 -4.177 1.00 0.84 H new ATOM 0 HD1 PHE A 72 11.617 -5.906 -1.805 1.00 0.85 H new ATOM 0 HD2 PHE A 72 15.435 -4.224 -2.661 1.00 0.55 H new ATOM 0 HE1 PHE A 72 11.740 -5.021 0.483 1.00 1.33 H new ATOM 0 HE2 PHE A 72 15.563 -3.340 -0.374 1.00 0.79 H new ATOM 0 HZ PHE A 72 13.715 -3.736 1.202 1.00 1.27 H new ATOM 1159 N GLU A 73 16.214 -7.225 -4.123 1.00 0.81 N ATOM 1160 CA GLU A 73 17.564 -7.537 -3.672 1.00 0.85 C ATOM 1161 C GLU A 73 18.160 -6.378 -2.882 1.00 0.87 C ATOM 1162 O GLU A 73 18.426 -5.305 -3.428 1.00 0.95 O ATOM 1163 CB GLU A 73 18.472 -7.879 -4.857 1.00 1.02 C ATOM 1164 CG GLU A 73 19.837 -8.409 -4.438 1.00 1.12 C ATOM 1165 CD GLU A 73 20.760 -8.662 -5.609 1.00 1.45 C ATOM 1166 OE1 GLU A 73 20.533 -9.642 -6.351 1.00 2.00 O ATOM 1167 OE2 GLU A 73 21.730 -7.889 -5.784 1.00 1.58 O ATOM 0 H GLU A 73 16.159 -6.837 -5.065 1.00 0.81 H new ATOM 0 HA GLU A 73 17.497 -8.407 -3.018 1.00 0.85 H new ATOM 0 HB2 GLU A 73 17.977 -8.623 -5.482 1.00 1.02 H new ATOM 0 HB3 GLU A 73 18.609 -6.988 -5.470 1.00 1.02 H new ATOM 0 HG2 GLU A 73 20.306 -7.694 -3.761 1.00 1.12 H new ATOM 0 HG3 GLU A 73 19.705 -9.336 -3.880 1.00 1.12 H new ATOM 1174 N HIS A 74 18.358 -6.605 -1.594 1.00 0.85 N ATOM 1175 CA HIS A 74 19.000 -5.633 -0.727 1.00 0.94 C ATOM 1176 C HIS A 74 20.333 -6.183 -0.232 1.00 1.04 C ATOM 1177 O HIS A 74 20.371 -7.034 0.658 1.00 1.03 O ATOM 1178 CB HIS A 74 18.089 -5.285 0.457 1.00 0.95 C ATOM 1179 CG HIS A 74 18.702 -4.315 1.423 1.00 1.21 C ATOM 1180 ND1 HIS A 74 18.769 -4.589 2.765 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.256 -3.103 1.189 1.00 1.63 C ATOM 1182 CE1 HIS A 74 19.359 -3.542 3.318 1.00 1.89 C ATOM 1183 NE2 HIS A 74 19.674 -2.613 2.400 1.00 1.71 N ATOM 0 H HIS A 74 18.079 -7.465 -1.122 1.00 0.85 H new ATOM 0 HA HIS A 74 19.184 -4.721 -1.294 1.00 0.94 H new ATOM 0 HB2 HIS A 74 17.157 -4.866 0.077 1.00 0.95 H new ATOM 0 HB3 HIS A 74 17.833 -6.201 0.989 1.00 0.95 H new ATOM 0 HD2 HIS A 74 19.351 -2.614 0.231 1.00 1.63 H new ATOM 0 HE1 HIS A 74 19.562 -3.446 4.374 1.00 1.89 H new ATOM 0 HE2 HIS A 74 20.134 -1.719 2.570 1.00 1.71 H new ATOM 1191 N ASP A 75 21.414 -5.710 -0.850 1.00 1.23 N ATOM 1192 CA ASP A 75 22.776 -6.124 -0.506 1.00 1.40 C ATOM 1193 C ASP A 75 22.967 -7.625 -0.689 1.00 1.35 C ATOM 1194 O ASP A 75 23.536 -8.305 0.166 1.00 1.42 O ATOM 1195 CB ASP A 75 23.151 -5.709 0.921 1.00 1.50 C ATOM 1196 CG ASP A 75 23.490 -4.234 1.033 1.00 1.87 C ATOM 1197 OD1 ASP A 75 24.362 -3.759 0.277 1.00 2.24 O ATOM 1198 OD2 ASP A 75 22.860 -3.536 1.857 1.00 2.37 O ATOM 0 H ASP A 75 21.371 -5.027 -1.606 1.00 1.23 H new ATOM 0 HA ASP A 75 23.445 -5.608 -1.195 1.00 1.40 H new ATOM 0 HB2 ASP A 75 22.323 -5.939 1.591 1.00 1.50 H new ATOM 0 HB3 ASP A 75 24.004 -6.300 1.254 1.00 1.50 H new ATOM 1203 N GLY A 76 22.485 -8.132 -1.816 1.00 1.31 N ATOM 1204 CA GLY A 76 22.658 -9.536 -2.145 1.00 1.35 C ATOM 1205 C GLY A 76 21.630 -10.433 -1.488 1.00 1.18 C ATOM 1206 O GLY A 76 21.749 -11.657 -1.532 1.00 1.26 O ATOM 0 H GLY A 76 21.973 -7.592 -2.514 1.00 1.31 H new ATOM 0 HA2 GLY A 76 22.600 -9.659 -3.226 1.00 1.35 H new ATOM 0 HA3 GLY A 76 23.655 -9.854 -1.841 1.00 1.35 H new ATOM 1210 N LYS A 77 20.626 -9.834 -0.873 1.00 1.01 N ATOM 1211 CA LYS A 77 19.571 -10.594 -0.221 1.00 0.88 C ATOM 1212 C LYS A 77 18.223 -10.255 -0.834 1.00 0.78 C ATOM 1213 O LYS A 77 17.821 -9.094 -0.842 1.00 0.79 O ATOM 1214 CB LYS A 77 19.535 -10.279 1.276 1.00 0.93 C ATOM 1215 CG LYS A 77 20.852 -10.524 1.994 1.00 1.19 C ATOM 1216 CD LYS A 77 21.232 -11.993 1.983 1.00 1.33 C ATOM 1217 CE LYS A 77 22.559 -12.230 2.684 1.00 2.02 C ATOM 1218 NZ LYS A 77 22.926 -13.671 2.696 1.00 2.54 N ATOM 0 H LYS A 77 20.518 -8.822 -0.811 1.00 1.01 H new ATOM 0 HA LYS A 77 19.778 -11.655 -0.362 1.00 0.88 H new ATOM 0 HB2 LYS A 77 19.249 -9.236 1.410 1.00 0.93 H new ATOM 0 HB3 LYS A 77 18.760 -10.885 1.745 1.00 0.93 H new ATOM 0 HG2 LYS A 77 21.640 -9.941 1.518 1.00 1.19 H new ATOM 0 HG3 LYS A 77 20.775 -10.176 3.024 1.00 1.19 H new ATOM 0 HD2 LYS A 77 20.452 -12.575 2.473 1.00 1.33 H new ATOM 0 HD3 LYS A 77 21.295 -12.346 0.954 1.00 1.33 H new ATOM 0 HE2 LYS A 77 23.342 -11.659 2.184 1.00 2.02 H new ATOM 0 HE3 LYS A 77 22.500 -11.861 3.708 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 23.837 -13.793 3.183 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 22.191 -14.212 3.195 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 23.007 -14.017 1.719 1.00 2.54 H new ATOM 1232 N LYS A 78 17.518 -11.255 -1.338 1.00 0.74 N ATOM 1233 CA LYS A 78 16.179 -11.029 -1.860 1.00 0.72 C ATOM 1234 C LYS A 78 15.175 -11.084 -0.724 1.00 0.64 C ATOM 1235 O LYS A 78 14.705 -12.155 -0.339 1.00 0.78 O ATOM 1236 CB LYS A 78 15.810 -12.047 -2.942 1.00 0.81 C ATOM 1237 CG LYS A 78 16.582 -11.869 -4.238 1.00 0.92 C ATOM 1238 CD LYS A 78 16.083 -12.817 -5.321 1.00 1.05 C ATOM 1239 CE LYS A 78 14.696 -12.430 -5.825 1.00 1.73 C ATOM 1240 NZ LYS A 78 14.721 -11.182 -6.636 1.00 2.52 N ATOM 0 H LYS A 78 17.845 -12.219 -1.397 1.00 0.74 H new ATOM 0 HA LYS A 78 16.159 -10.042 -2.322 1.00 0.72 H new ATOM 0 HB2 LYS A 78 15.988 -13.052 -2.559 1.00 0.81 H new ATOM 0 HB3 LYS A 78 14.743 -11.970 -3.152 1.00 0.81 H new ATOM 0 HG2 LYS A 78 16.485 -10.839 -4.582 1.00 0.92 H new ATOM 0 HG3 LYS A 78 17.642 -12.046 -4.058 1.00 0.92 H new ATOM 0 HD2 LYS A 78 16.785 -12.816 -6.155 1.00 1.05 H new ATOM 0 HD3 LYS A 78 16.055 -13.833 -4.928 1.00 1.05 H new ATOM 0 HE2 LYS A 78 14.289 -13.244 -6.426 1.00 1.73 H new ATOM 0 HE3 LYS A 78 14.027 -12.296 -4.975 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 13.793 -11.039 -7.083 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 14.937 -10.372 -6.020 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 15.451 -11.261 -7.373 1.00 2.52 H new ATOM 1254 N VAL A 79 14.854 -9.922 -0.199 1.00 0.53 N ATOM 1255 CA VAL A 79 13.962 -9.809 0.937 1.00 0.49 C ATOM 1256 C VAL A 79 12.577 -9.380 0.465 1.00 0.43 C ATOM 1257 O VAL A 79 12.450 -8.656 -0.524 1.00 0.45 O ATOM 1258 CB VAL A 79 14.528 -8.800 1.965 1.00 0.57 C ATOM 1259 CG1 VAL A 79 14.697 -7.420 1.344 1.00 1.31 C ATOM 1260 CG2 VAL A 79 13.656 -8.726 3.208 1.00 1.38 C ATOM 0 H VAL A 79 15.203 -9.029 -0.546 1.00 0.53 H new ATOM 0 HA VAL A 79 13.879 -10.780 1.425 1.00 0.49 H new ATOM 0 HB VAL A 79 15.512 -9.160 2.267 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.096 -6.732 2.089 1.00 1.31 H new ATOM 0 HG12 VAL A 79 15.386 -7.482 0.502 1.00 1.31 H new ATOM 0 HG13 VAL A 79 13.730 -7.057 0.996 1.00 1.31 H new ATOM 0 HG21 VAL A 79 14.082 -8.008 3.909 1.00 1.38 H new ATOM 0 HG22 VAL A 79 12.651 -8.408 2.929 1.00 1.38 H new ATOM 0 HG23 VAL A 79 13.609 -9.708 3.678 1.00 1.38 H new ATOM 1270 N THR A 80 11.547 -9.857 1.144 1.00 0.42 N ATOM 1271 CA THR A 80 10.185 -9.512 0.783 1.00 0.40 C ATOM 1272 C THR A 80 9.864 -8.092 1.227 1.00 0.39 C ATOM 1273 O THR A 80 10.434 -7.606 2.211 1.00 0.42 O ATOM 1274 CB THR A 80 9.158 -10.484 1.405 1.00 0.42 C ATOM 1275 OG1 THR A 80 9.267 -10.478 2.835 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.361 -11.902 0.893 1.00 0.45 C ATOM 0 H THR A 80 11.629 -10.482 1.946 1.00 0.42 H new ATOM 0 HA THR A 80 10.112 -9.588 -0.302 1.00 0.40 H new ATOM 0 HB THR A 80 8.165 -10.145 1.112 1.00 0.42 H new ATOM 0 HG1 THR A 80 8.610 -11.097 3.216 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.623 -12.563 1.349 1.00 0.45 H new ATOM 0 HG22 THR A 80 9.242 -11.918 -0.190 1.00 0.45 H new ATOM 0 HG23 THR A 80 10.363 -12.243 1.153 1.00 0.45 H new ATOM 1284 N ILE A 81 8.967 -7.430 0.509 1.00 0.40 N ATOM 1285 CA ILE A 81 8.560 -6.069 0.854 1.00 0.40 C ATOM 1286 C ILE A 81 8.108 -6.004 2.316 1.00 0.36 C ATOM 1287 O ILE A 81 8.462 -5.083 3.056 1.00 0.37 O ATOM 1288 CB ILE A 81 7.414 -5.578 -0.065 1.00 0.44 C ATOM 1289 CG1 ILE A 81 7.829 -5.671 -1.538 1.00 0.60 C ATOM 1290 CG2 ILE A 81 7.018 -4.151 0.281 1.00 0.48 C ATOM 1291 CD1 ILE A 81 9.005 -4.790 -1.901 1.00 0.81 C ATOM 0 H ILE A 81 8.505 -7.811 -0.317 1.00 0.40 H new ATOM 0 HA ILE A 81 9.422 -5.418 0.711 1.00 0.40 H new ATOM 0 HB ILE A 81 6.550 -6.223 0.096 1.00 0.44 H new ATOM 0 HG12 ILE A 81 8.078 -6.706 -1.770 1.00 0.60 H new ATOM 0 HG13 ILE A 81 6.978 -5.400 -2.163 1.00 0.60 H new ATOM 0 HG21 ILE A 81 6.212 -3.827 -0.377 1.00 0.48 H new ATOM 0 HG22 ILE A 81 6.681 -4.108 1.317 1.00 0.48 H new ATOM 0 HG23 ILE A 81 7.878 -3.493 0.152 1.00 0.48 H new ATOM 0 HD11 ILE A 81 9.238 -4.912 -2.959 1.00 0.81 H new ATOM 0 HD12 ILE A 81 8.754 -3.748 -1.702 1.00 0.81 H new ATOM 0 HD13 ILE A 81 9.871 -5.075 -1.304 1.00 0.81 H new ATOM 1303 N ALA A 82 7.358 -7.023 2.728 1.00 0.36 N ATOM 1304 CA ALA A 82 6.841 -7.116 4.089 1.00 0.39 C ATOM 1305 C ALA A 82 7.961 -7.160 5.128 1.00 0.41 C ATOM 1306 O ALA A 82 7.863 -6.535 6.186 1.00 0.43 O ATOM 1307 CB ALA A 82 5.955 -8.343 4.225 1.00 0.44 C ATOM 0 H ALA A 82 7.093 -7.805 2.129 1.00 0.36 H new ATOM 0 HA ALA A 82 6.254 -6.217 4.279 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.573 -8.405 5.244 1.00 0.44 H new ATOM 0 HB2 ALA A 82 5.120 -8.268 3.529 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.536 -9.238 4.000 1.00 0.44 H new ATOM 1313 N SER A 83 9.024 -7.894 4.826 1.00 0.46 N ATOM 1314 CA SER A 83 10.138 -8.032 5.756 1.00 0.54 C ATOM 1315 C SER A 83 10.962 -6.748 5.816 1.00 0.53 C ATOM 1316 O SER A 83 11.586 -6.447 6.835 1.00 0.56 O ATOM 1317 CB SER A 83 11.019 -9.216 5.361 1.00 0.67 C ATOM 1318 OG SER A 83 10.263 -10.414 5.311 1.00 1.08 O ATOM 0 H SER A 83 9.139 -8.401 3.948 1.00 0.46 H new ATOM 0 HA SER A 83 9.730 -8.218 6.749 1.00 0.54 H new ATOM 0 HB2 SER A 83 11.474 -9.027 4.389 1.00 0.67 H new ATOM 0 HB3 SER A 83 11.833 -9.324 6.078 1.00 0.67 H new ATOM 0 HG SER A 83 9.662 -10.390 4.537 1.00 1.08 H new ATOM 1324 N TYR A 84 10.956 -5.989 4.725 1.00 0.51 N ATOM 1325 CA TYR A 84 11.639 -4.702 4.697 1.00 0.55 C ATOM 1326 C TYR A 84 10.989 -3.745 5.692 1.00 0.53 C ATOM 1327 O TYR A 84 11.675 -3.013 6.409 1.00 0.57 O ATOM 1328 CB TYR A 84 11.619 -4.101 3.288 1.00 0.58 C ATOM 1329 CG TYR A 84 12.143 -2.681 3.231 1.00 0.64 C ATOM 1330 CD1 TYR A 84 13.483 -2.407 3.470 1.00 0.74 C ATOM 1331 CD2 TYR A 84 11.300 -1.618 2.924 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.969 -1.115 3.407 1.00 0.81 C ATOM 1333 CE2 TYR A 84 11.781 -0.324 2.854 1.00 0.71 C ATOM 1334 CZ TYR A 84 13.093 -0.067 3.155 1.00 0.80 C ATOM 1335 OH TYR A 84 13.603 1.207 3.017 1.00 0.88 O ATOM 0 H TYR A 84 10.489 -6.241 3.854 1.00 0.51 H new ATOM 0 HA TYR A 84 12.679 -4.858 4.982 1.00 0.55 H new ATOM 0 HB2 TYR A 84 12.216 -4.727 2.626 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.597 -4.119 2.908 1.00 0.58 H new ATOM 0 HD1 TYR A 84 14.156 -3.217 3.709 1.00 0.74 H new ATOM 0 HD2 TYR A 84 10.253 -1.807 2.737 1.00 0.63 H new ATOM 0 HE1 TYR A 84 15.022 -0.922 3.553 1.00 0.81 H new ATOM 0 HE2 TYR A 84 11.124 0.483 2.563 1.00 0.71 H new ATOM 0 HH TYR A 84 12.871 1.835 2.843 1.00 0.88 H new ATOM 1345 N PHE A 85 9.662 -3.767 5.743 1.00 0.48 N ATOM 1346 CA PHE A 85 8.934 -2.943 6.697 1.00 0.48 C ATOM 1347 C PHE A 85 9.244 -3.389 8.117 1.00 0.51 C ATOM 1348 O PHE A 85 9.431 -2.564 9.009 1.00 0.59 O ATOM 1349 CB PHE A 85 7.427 -3.006 6.453 1.00 0.48 C ATOM 1350 CG PHE A 85 7.005 -2.486 5.109 1.00 0.51 C ATOM 1351 CD1 PHE A 85 7.454 -1.255 4.652 1.00 0.87 C ATOM 1352 CD2 PHE A 85 6.151 -3.223 4.307 1.00 0.57 C ATOM 1353 CE1 PHE A 85 7.060 -0.773 3.419 1.00 0.94 C ATOM 1354 CE2 PHE A 85 5.754 -2.745 3.074 1.00 0.65 C ATOM 1355 CZ PHE A 85 6.209 -1.518 2.629 1.00 0.70 C ATOM 0 H PHE A 85 9.074 -4.342 5.140 1.00 0.48 H new ATOM 0 HA PHE A 85 9.257 -1.911 6.561 1.00 0.48 H new ATOM 0 HB2 PHE A 85 7.096 -4.040 6.552 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.919 -2.433 7.229 1.00 0.48 H new ATOM 0 HD1 PHE A 85 8.119 -0.667 5.267 1.00 0.87 H new ATOM 0 HD2 PHE A 85 5.791 -4.182 4.649 1.00 0.57 H new ATOM 0 HE1 PHE A 85 7.418 0.186 3.074 1.00 0.94 H new ATOM 0 HE2 PHE A 85 5.088 -3.330 2.457 1.00 0.65 H new ATOM 0 HZ PHE A 85 5.899 -1.143 1.665 1.00 0.70 H new ATOM 1365 N HIS A 86 9.320 -4.702 8.313 1.00 0.49 N ATOM 1366 CA HIS A 86 9.628 -5.270 9.621 1.00 0.54 C ATOM 1367 C HIS A 86 10.992 -4.777 10.106 1.00 0.57 C ATOM 1368 O HIS A 86 11.199 -4.539 11.300 1.00 0.62 O ATOM 1369 CB HIS A 86 9.605 -6.801 9.552 1.00 0.57 C ATOM 1370 CG HIS A 86 9.625 -7.464 10.894 1.00 0.63 C ATOM 1371 ND1 HIS A 86 10.544 -8.441 11.204 1.00 0.96 N ATOM 1372 CD2 HIS A 86 8.811 -7.266 11.957 1.00 0.74 C ATOM 1373 CE1 HIS A 86 10.264 -8.813 12.445 1.00 0.98 C ATOM 1374 NE2 HIS A 86 9.223 -8.128 12.937 1.00 0.79 N ATOM 0 H HIS A 86 9.172 -5.395 7.579 1.00 0.49 H new ATOM 0 HA HIS A 86 8.870 -4.943 10.332 1.00 0.54 H new ATOM 0 HB2 HIS A 86 8.712 -7.118 9.013 1.00 0.57 H new ATOM 0 HB3 HIS A 86 10.464 -7.143 8.975 1.00 0.57 H new ATOM 0 HD2 HIS A 86 7.994 -6.563 12.020 1.00 0.74 H new ATOM 0 HE1 HIS A 86 10.806 -9.572 12.990 1.00 0.98 H new ATOM 0 HE2 HIS A 86 8.815 -8.230 13.866 1.00 0.79 H new ATOM 1382 N SER A 87 11.913 -4.611 9.163 1.00 0.57 N ATOM 1383 CA SER A 87 13.227 -4.061 9.456 1.00 0.65 C ATOM 1384 C SER A 87 13.103 -2.606 9.914 1.00 0.67 C ATOM 1385 O SER A 87 13.876 -2.138 10.749 1.00 0.75 O ATOM 1386 CB SER A 87 14.123 -4.159 8.217 1.00 0.68 C ATOM 1387 OG SER A 87 15.399 -3.588 8.453 1.00 1.36 O ATOM 0 H SER A 87 11.770 -4.852 8.182 1.00 0.57 H new ATOM 0 HA SER A 87 13.680 -4.638 10.262 1.00 0.65 H new ATOM 0 HB2 SER A 87 14.238 -5.205 7.932 1.00 0.68 H new ATOM 0 HB3 SER A 87 13.645 -3.651 7.380 1.00 0.68 H new ATOM 0 HG SER A 87 15.947 -3.667 7.645 1.00 1.36 H new ATOM 1393 N ARG A 88 12.107 -1.906 9.376 1.00 0.61 N ATOM 1394 CA ARG A 88 11.851 -0.514 9.731 1.00 0.67 C ATOM 1395 C ARG A 88 11.055 -0.402 11.028 1.00 0.64 C ATOM 1396 O ARG A 88 10.324 0.570 11.226 1.00 0.70 O ATOM 1397 CB ARG A 88 11.102 0.197 8.599 1.00 0.74 C ATOM 1398 CG ARG A 88 11.977 1.108 7.750 1.00 0.92 C ATOM 1399 CD ARG A 88 12.863 0.339 6.776 1.00 0.97 C ATOM 1400 NE ARG A 88 13.896 -0.450 7.450 1.00 1.13 N ATOM 1401 CZ ARG A 88 15.160 -0.050 7.600 1.00 1.42 C ATOM 1402 NH1 ARG A 88 15.538 1.147 7.170 1.00 1.76 N ATOM 1403 NH2 ARG A 88 16.044 -0.849 8.189 1.00 2.11 N ATOM 0 H ARG A 88 11.459 -2.286 8.686 1.00 0.61 H new ATOM 0 HA ARG A 88 12.817 -0.032 9.884 1.00 0.67 H new ATOM 0 HB2 ARG A 88 10.644 -0.553 7.954 1.00 0.74 H new ATOM 0 HB3 ARG A 88 10.292 0.786 9.028 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.342 1.796 7.191 1.00 0.92 H new ATOM 0 HG3 ARG A 88 12.605 1.714 8.404 1.00 0.92 H new ATOM 0 HD2 ARG A 88 12.242 -0.323 6.173 1.00 0.97 H new ATOM 0 HD3 ARG A 88 13.338 1.042 6.091 1.00 0.97 H new ATOM 0 HE ARG A 88 13.633 -1.360 7.828 1.00 1.13 H new ATOM 0 HH11 ARG A 88 14.861 1.765 6.723 1.00 1.76 H new ATOM 0 HH12 ARG A 88 16.505 1.449 7.287 1.00 1.76 H new ATOM 0 HH21 ARG A 88 15.756 -1.768 8.526 1.00 2.11 H new ATOM 0 HH22 ARG A 88 17.010 -0.544 8.304 1.00 2.11 H new ATOM 1417 N ASN A 89 11.191 -1.407 11.899 1.00 0.61 N ATOM 1418 CA ASN A 89 10.485 -1.442 13.185 1.00 0.63 C ATOM 1419 C ASN A 89 8.982 -1.372 12.964 1.00 0.66 C ATOM 1420 O ASN A 89 8.226 -0.945 13.835 1.00 0.83 O ATOM 1421 CB ASN A 89 10.936 -0.286 14.088 1.00 0.70 C ATOM 1422 CG ASN A 89 12.408 -0.366 14.452 1.00 1.30 C ATOM 1423 OD1 ASN A 89 13.267 0.170 13.748 1.00 2.07 O ATOM 1424 ND2 ASN A 89 12.709 -1.034 15.551 1.00 1.91 N ATOM 0 H ASN A 89 11.790 -2.216 11.734 1.00 0.61 H new ATOM 0 HA ASN A 89 10.729 -2.382 13.680 1.00 0.63 H new ATOM 0 HB2 ASN A 89 10.742 0.661 13.584 1.00 0.70 H new ATOM 0 HB3 ASN A 89 10.340 -0.289 15.000 1.00 0.70 H new ATOM 0 HD21 ASN A 89 13.682 -1.121 15.845 1.00 1.91 H new ATOM 0 HD22 ASN A 89 11.969 -1.463 16.106 1.00 1.91 H new ATOM 1431 N TYR A 90 8.566 -1.798 11.786 1.00 0.56 N ATOM 1432 CA TYR A 90 7.188 -1.701 11.365 1.00 0.64 C ATOM 1433 C TYR A 90 6.677 -3.052 10.863 1.00 0.59 C ATOM 1434 O TYR A 90 6.711 -3.345 9.671 1.00 0.57 O ATOM 1435 CB TYR A 90 7.105 -0.626 10.279 1.00 0.76 C ATOM 1436 CG TYR A 90 5.819 -0.602 9.495 1.00 1.02 C ATOM 1437 CD1 TYR A 90 4.610 -0.649 10.164 1.00 1.67 C ATOM 1438 CD2 TYR A 90 5.810 -0.518 8.110 1.00 1.04 C ATOM 1439 CE1 TYR A 90 3.415 -0.611 9.476 1.00 2.09 C ATOM 1440 CE2 TYR A 90 4.621 -0.474 7.411 1.00 1.39 C ATOM 1441 CZ TYR A 90 3.483 -0.595 8.005 1.00 1.94 C ATOM 1442 OH TYR A 90 2.238 -0.467 7.411 1.00 2.32 O ATOM 0 H TYR A 90 9.182 -2.223 11.093 1.00 0.56 H new ATOM 0 HA TYR A 90 6.552 -1.422 12.205 1.00 0.64 H new ATOM 0 HB2 TYR A 90 7.246 0.349 10.745 1.00 0.76 H new ATOM 0 HB3 TYR A 90 7.932 -0.770 9.584 1.00 0.76 H new ATOM 0 HD1 TYR A 90 4.601 -0.717 11.242 1.00 1.67 H new ATOM 0 HD2 TYR A 90 6.746 -0.487 7.572 1.00 1.04 H new ATOM 0 HE1 TYR A 90 2.468 -0.594 9.995 1.00 2.09 H new ATOM 0 HE2 TYR A 90 4.644 -0.335 6.340 1.00 1.39 H new ATOM 0 HH TYR A 90 2.340 -0.461 6.436 1.00 2.32 H new ATOM 1452 N PRO A 91 6.209 -3.906 11.777 1.00 0.61 N ATOM 1453 CA PRO A 91 5.644 -5.197 11.409 1.00 0.62 C ATOM 1454 C PRO A 91 4.276 -5.038 10.748 1.00 0.65 C ATOM 1455 O PRO A 91 3.364 -4.442 11.326 1.00 0.86 O ATOM 1456 CB PRO A 91 5.523 -5.928 12.748 1.00 0.68 C ATOM 1457 CG PRO A 91 5.399 -4.844 13.764 1.00 0.72 C ATOM 1458 CD PRO A 91 6.189 -3.681 13.234 1.00 0.69 C ATOM 0 HA PRO A 91 6.256 -5.732 10.683 1.00 0.62 H new ATOM 0 HB2 PRO A 91 4.654 -6.585 12.763 1.00 0.68 H new ATOM 0 HB3 PRO A 91 6.397 -6.551 12.939 1.00 0.68 H new ATOM 0 HG2 PRO A 91 4.355 -4.569 13.915 1.00 0.72 H new ATOM 0 HG3 PRO A 91 5.786 -5.169 14.730 1.00 0.72 H new ATOM 0 HD2 PRO A 91 5.719 -2.730 13.486 1.00 0.69 H new ATOM 0 HD3 PRO A 91 7.196 -3.659 13.649 1.00 0.69 H new ATOM 1466 N LEU A 92 4.143 -5.547 9.530 1.00 0.53 N ATOM 1467 CA LEU A 92 2.881 -5.461 8.805 1.00 0.55 C ATOM 1468 C LEU A 92 1.763 -6.141 9.575 1.00 0.56 C ATOM 1469 O LEU A 92 1.848 -7.322 9.913 1.00 0.59 O ATOM 1470 CB LEU A 92 2.993 -6.088 7.413 1.00 0.59 C ATOM 1471 CG LEU A 92 3.690 -5.228 6.362 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.631 -5.907 5.005 1.00 0.65 C ATOM 1473 CD2 LEU A 92 3.053 -3.850 6.291 1.00 0.62 C ATOM 0 H LEU A 92 4.891 -6.022 9.024 1.00 0.53 H new ATOM 0 HA LEU A 92 2.647 -4.402 8.695 1.00 0.55 H new ATOM 0 HB2 LEU A 92 3.531 -7.032 7.500 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.990 -6.324 7.058 1.00 0.59 H new ATOM 0 HG LEU A 92 4.735 -5.109 6.650 1.00 0.57 H new ATOM 0 HD11 LEU A 92 4.132 -5.284 4.264 1.00 0.65 H new ATOM 0 HD12 LEU A 92 4.129 -6.875 5.061 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.590 -6.050 4.715 1.00 0.65 H new ATOM 0 HD21 LEU A 92 3.563 -3.252 5.536 1.00 0.62 H new ATOM 0 HD22 LEU A 92 2.001 -3.949 6.025 1.00 0.62 H new ATOM 0 HD23 LEU A 92 3.137 -3.360 7.261 1.00 0.62 H new ATOM 1485 N LYS A 93 0.731 -5.364 9.866 1.00 0.63 N ATOM 1486 CA LYS A 93 -0.457 -5.856 10.550 1.00 0.68 C ATOM 1487 C LYS A 93 -1.139 -6.928 9.709 1.00 0.61 C ATOM 1488 O LYS A 93 -1.658 -7.914 10.230 1.00 0.68 O ATOM 1489 CB LYS A 93 -1.428 -4.698 10.791 1.00 0.83 C ATOM 1490 CG LYS A 93 -0.800 -3.504 11.492 1.00 0.91 C ATOM 1491 CD LYS A 93 -1.631 -2.243 11.298 1.00 1.28 C ATOM 1492 CE LYS A 93 -3.000 -2.355 11.948 1.00 1.57 C ATOM 1493 NZ LYS A 93 -3.883 -1.223 11.567 1.00 2.22 N ATOM 0 H LYS A 93 0.693 -4.371 9.634 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.162 -6.289 11.506 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -1.835 -4.372 9.834 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -2.266 -5.058 11.388 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -0.702 -3.716 12.557 1.00 0.91 H new ATOM 0 HG3 LYS A 93 0.206 -3.341 11.105 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -1.099 -1.390 11.719 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -1.751 -2.049 10.232 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -3.467 -3.295 11.654 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -2.887 -2.380 13.032 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -4.624 -1.103 12.287 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -3.320 -0.351 11.501 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -4.323 -1.421 10.646 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.114 -6.725 8.399 1.00 0.52 N ATOM 1508 CA PHE A 94 -1.736 -7.641 7.464 1.00 0.50 C ATOM 1509 C PHE A 94 -0.799 -7.880 6.286 1.00 0.44 C ATOM 1510 O PHE A 94 -0.906 -7.228 5.251 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.074 -7.079 6.963 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.010 -6.653 8.060 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -4.673 -7.589 8.835 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.220 -5.307 8.314 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -5.531 -7.190 9.843 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -5.075 -4.903 9.319 1.00 0.78 C ATOM 1517 CZ PHE A 94 -5.732 -5.846 10.085 1.00 0.81 C ATOM 0 H PHE A 94 -0.663 -5.923 7.960 1.00 0.52 H new ATOM 0 HA PHE A 94 -1.930 -8.585 7.973 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -2.877 -6.224 6.316 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -3.567 -7.835 6.352 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -4.518 -8.642 8.650 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -3.708 -4.565 7.718 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -6.044 -7.929 10.441 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -5.230 -3.851 9.506 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.402 -5.532 10.872 1.00 0.81 H new ATOM 1527 N PRO A 95 0.166 -8.797 6.444 1.00 0.48 N ATOM 1528 CA PRO A 95 1.098 -9.170 5.371 1.00 0.51 C ATOM 1529 C PRO A 95 0.384 -9.735 4.138 1.00 0.47 C ATOM 1530 O PRO A 95 0.975 -9.850 3.065 1.00 0.51 O ATOM 1531 CB PRO A 95 1.983 -10.247 6.008 1.00 0.64 C ATOM 1532 CG PRO A 95 1.825 -10.072 7.479 1.00 0.65 C ATOM 1533 CD PRO A 95 0.446 -9.517 7.695 1.00 0.59 C ATOM 0 HA PRO A 95 1.652 -8.304 5.009 1.00 0.51 H new ATOM 0 HB2 PRO A 95 1.674 -11.244 5.696 1.00 0.64 H new ATOM 0 HB3 PRO A 95 3.024 -10.128 5.708 1.00 0.64 H new ATOM 0 HG2 PRO A 95 1.947 -11.023 7.998 1.00 0.65 H new ATOM 0 HG3 PRO A 95 2.582 -9.394 7.873 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -0.282 -10.309 7.874 1.00 0.59 H new ATOM 0 HD3 PRO A 95 0.412 -8.851 8.558 1.00 0.59 H new ATOM 1541 N GLN A 96 -0.890 -10.076 4.299 1.00 0.45 N ATOM 1542 CA GLN A 96 -1.693 -10.624 3.209 1.00 0.44 C ATOM 1543 C GLN A 96 -2.248 -9.501 2.332 1.00 0.39 C ATOM 1544 O GLN A 96 -3.125 -9.726 1.498 1.00 0.43 O ATOM 1545 CB GLN A 96 -2.857 -11.468 3.755 1.00 0.53 C ATOM 1546 CG GLN A 96 -2.446 -12.725 4.518 1.00 1.06 C ATOM 1547 CD GLN A 96 -1.852 -12.436 5.885 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -0.637 -12.305 6.034 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -2.706 -12.329 6.890 1.00 2.31 N ATOM 0 H GLN A 96 -1.393 -9.982 5.181 1.00 0.45 H new ATOM 0 HA GLN A 96 -1.045 -11.262 2.609 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -3.460 -10.843 4.414 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -3.495 -11.761 2.921 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -3.317 -13.369 4.638 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -1.719 -13.279 3.924 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -3.706 -12.445 6.724 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -2.365 -12.131 7.831 1.00 2.31 H new ATOM 1558 N LEU A 97 -1.742 -8.289 2.534 1.00 0.44 N ATOM 1559 CA LEU A 97 -2.214 -7.133 1.788 1.00 0.54 C ATOM 1560 C LEU A 97 -1.618 -7.054 0.398 1.00 0.63 C ATOM 1561 O LEU A 97 -0.400 -7.145 0.215 1.00 1.25 O ATOM 1562 CB LEU A 97 -1.882 -5.830 2.509 1.00 0.69 C ATOM 1563 CG LEU A 97 -2.766 -5.477 3.700 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -2.394 -4.099 4.214 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -4.239 -5.529 3.322 1.00 1.35 C ATOM 0 H LEU A 97 -1.005 -8.084 3.209 1.00 0.44 H new ATOM 0 HA LEU A 97 -3.294 -7.262 1.710 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -0.849 -5.882 2.852 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -1.938 -5.015 1.787 1.00 0.69 H new ATOM 0 HG LEU A 97 -2.603 -6.211 4.489 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -3.025 -3.846 5.066 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -1.349 -4.096 4.524 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -2.540 -3.364 3.423 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -4.847 -5.273 4.190 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -4.434 -4.817 2.520 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -4.493 -6.534 2.985 1.00 1.35 H new ATOM 1577 N HIS A 98 -2.494 -6.881 -0.572 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.091 -6.464 -1.897 1.00 0.38 C ATOM 1579 C HIS A 98 -1.857 -4.960 -1.876 1.00 0.43 C ATOM 1580 O HIS A 98 -2.696 -4.194 -1.394 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.159 -6.829 -2.933 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.324 -8.306 -3.146 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -3.428 -9.176 -2.091 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.382 -9.008 -4.302 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -3.544 -10.377 -2.624 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.525 -10.328 -3.964 1.00 0.46 N ATOM 0 H HIS A 98 -3.498 -7.025 -0.464 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.173 -6.979 -2.180 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.114 -6.409 -2.618 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -2.903 -6.362 -3.884 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -3.326 -8.604 -5.302 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -3.642 -11.288 -2.052 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -3.602 -11.118 -4.605 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.704 -4.550 -2.343 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.327 -3.151 -2.339 1.00 0.56 C ATOM 1596 C CYS A 99 -0.947 -2.396 -3.515 1.00 0.41 C ATOM 1597 O CYS A 99 -1.440 -2.999 -4.474 1.00 0.38 O ATOM 1598 CB CYS A 99 1.192 -3.043 -2.394 1.00 0.76 C ATOM 1599 SG CYS A 99 2.036 -3.775 -0.974 1.00 1.19 S ATOM 0 H CYS A 99 0.002 -5.172 -2.737 1.00 0.50 H new ATOM 0 HA CYS A 99 -0.703 -2.696 -1.422 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.547 -3.528 -3.303 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.468 -1.991 -2.465 1.00 0.76 H new ATOM 0 HG CYS A 99 1.280 -4.691 -0.445 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.935 -1.073 -3.422 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.400 -0.228 -4.503 1.00 0.39 C ATOM 1607 C LEU A 100 -0.268 -0.002 -5.479 1.00 0.28 C ATOM 1608 O LEU A 100 0.859 0.261 -5.069 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.857 1.141 -3.991 1.00 0.58 C ATOM 1610 CG LEU A 100 -2.721 1.156 -2.736 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -1.936 1.724 -1.570 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -3.964 1.984 -2.970 1.00 0.93 C ATOM 0 H LEU A 100 -0.605 -0.564 -2.602 1.00 0.43 H new ATOM 0 HA LEU A 100 -2.243 -0.731 -4.978 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -0.970 1.744 -3.799 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -2.411 1.634 -4.790 1.00 0.58 H new ATOM 0 HG LEU A 100 -3.015 0.133 -2.501 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -2.563 1.730 -0.678 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -1.055 1.108 -1.390 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -1.625 2.743 -1.802 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -4.574 1.988 -2.067 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -3.679 3.006 -3.220 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -4.537 1.556 -3.793 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.558 -0.104 -6.756 1.00 0.29 N ATOM 1625 CA ASN A 101 0.421 0.235 -7.769 1.00 0.29 C ATOM 1626 C ASN A 101 0.333 1.718 -8.044 1.00 0.29 C ATOM 1627 O ASN A 101 -0.601 2.196 -8.691 1.00 0.37 O ATOM 1628 CB ASN A 101 0.197 -0.584 -9.050 1.00 0.34 C ATOM 1629 CG ASN A 101 1.103 -0.161 -10.195 1.00 0.46 C ATOM 1630 OD1 ASN A 101 0.744 0.693 -11.007 1.00 1.34 O ATOM 1631 ND2 ASN A 101 2.281 -0.758 -10.274 1.00 0.83 N ATOM 0 H ASN A 101 -1.458 -0.417 -7.119 1.00 0.29 H new ATOM 0 HA ASN A 101 1.421 -0.009 -7.409 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.364 -1.639 -8.833 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.843 -0.483 -9.361 1.00 0.34 H new ATOM 0 HD21 ASN A 101 2.926 -0.515 -11.026 1.00 0.83 H new ATOM 0 HD22 ASN A 101 2.544 -1.461 -9.583 1.00 0.83 H new ATOM 1638 N VAL A 102 1.284 2.437 -7.494 1.00 0.28 N ATOM 1639 CA VAL A 102 1.331 3.873 -7.619 1.00 0.30 C ATOM 1640 C VAL A 102 2.668 4.297 -8.192 1.00 0.31 C ATOM 1641 O VAL A 102 3.472 3.466 -8.625 1.00 0.35 O ATOM 1642 CB VAL A 102 1.138 4.566 -6.253 1.00 0.32 C ATOM 1643 CG1 VAL A 102 -0.177 4.156 -5.620 1.00 0.86 C ATOM 1644 CG2 VAL A 102 2.295 4.250 -5.319 1.00 0.91 C ATOM 0 H VAL A 102 2.048 2.041 -6.946 1.00 0.28 H new ATOM 0 HA VAL A 102 0.520 4.172 -8.283 1.00 0.30 H new ATOM 0 HB VAL A 102 1.116 5.642 -6.424 1.00 0.32 H new ATOM 0 HG11 VAL A 102 -0.290 4.657 -4.659 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -1.000 4.439 -6.276 1.00 0.86 H new ATOM 0 HG13 VAL A 102 -0.187 3.076 -5.470 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.137 4.749 -4.363 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.352 3.173 -5.161 1.00 0.91 H new ATOM 0 HG23 VAL A 102 3.227 4.601 -5.762 1.00 0.91 H new ATOM 1654 N GLY A 103 2.896 5.588 -8.179 1.00 0.35 N ATOM 1655 CA GLY A 103 4.167 6.123 -8.591 1.00 0.41 C ATOM 1656 C GLY A 103 4.166 6.568 -10.036 1.00 0.48 C ATOM 1657 O GLY A 103 3.367 7.421 -10.429 1.00 0.65 O ATOM 0 H GLY A 103 2.214 6.288 -7.886 1.00 0.35 H new ATOM 0 HA2 GLY A 103 4.426 6.969 -7.954 1.00 0.41 H new ATOM 0 HA3 GLY A 103 4.940 5.368 -8.447 1.00 0.41 H new ATOM 1661 N SER A 104 5.059 5.998 -10.823 1.00 0.78 N ATOM 1662 CA SER A 104 5.197 6.356 -12.223 1.00 0.88 C ATOM 1663 C SER A 104 5.739 5.174 -13.024 1.00 1.00 C ATOM 1664 O SER A 104 5.931 4.085 -12.478 1.00 1.10 O ATOM 1665 CB SER A 104 6.121 7.570 -12.374 1.00 0.91 C ATOM 1666 OG SER A 104 5.598 8.702 -11.696 1.00 1.52 O ATOM 0 H SER A 104 5.708 5.275 -10.511 1.00 0.78 H new ATOM 0 HA SER A 104 4.213 6.617 -12.613 1.00 0.88 H new ATOM 0 HB2 SER A 104 7.108 7.330 -11.979 1.00 0.91 H new ATOM 0 HB3 SER A 104 6.249 7.803 -13.431 1.00 0.91 H new ATOM 0 HG SER A 104 6.208 9.461 -11.808 1.00 1.52 H new ATOM 1672 N SER A 105 5.958 5.376 -14.314 1.00 1.06 N ATOM 1673 CA SER A 105 6.519 4.334 -15.158 1.00 1.19 C ATOM 1674 C SER A 105 7.914 3.926 -14.682 1.00 1.14 C ATOM 1675 O SER A 105 8.218 2.737 -14.577 1.00 1.20 O ATOM 1676 CB SER A 105 6.563 4.813 -16.608 1.00 1.36 C ATOM 1677 OG SER A 105 7.061 6.137 -16.685 1.00 1.77 O ATOM 0 H SER A 105 5.756 6.251 -14.798 1.00 1.06 H new ATOM 0 HA SER A 105 5.879 3.454 -15.092 1.00 1.19 H new ATOM 0 HB2 SER A 105 7.194 4.147 -17.197 1.00 1.36 H new ATOM 0 HB3 SER A 105 5.563 4.770 -17.041 1.00 1.36 H new ATOM 0 HG SER A 105 7.083 6.424 -17.622 1.00 1.77 H new ATOM 1683 N ILE A 106 8.752 4.915 -14.374 1.00 1.10 N ATOM 1684 CA ILE A 106 10.124 4.647 -13.943 1.00 1.09 C ATOM 1685 C ILE A 106 10.136 4.095 -12.523 1.00 0.89 C ATOM 1686 O ILE A 106 10.762 3.072 -12.243 1.00 0.95 O ATOM 1687 CB ILE A 106 10.991 5.923 -13.977 1.00 1.18 C ATOM 1688 CG1 ILE A 106 10.727 6.709 -15.260 1.00 1.25 C ATOM 1689 CG2 ILE A 106 12.467 5.562 -13.862 1.00 1.67 C ATOM 1690 CD1 ILE A 106 11.492 8.013 -15.350 1.00 1.60 C ATOM 0 H ILE A 106 8.507 5.904 -14.414 1.00 1.10 H new ATOM 0 HA ILE A 106 10.539 3.916 -14.637 1.00 1.09 H new ATOM 0 HB ILE A 106 10.723 6.551 -13.128 1.00 1.18 H new ATOM 0 HG12 ILE A 106 10.988 6.086 -16.116 1.00 1.25 H new ATOM 0 HG13 ILE A 106 9.660 6.919 -15.332 1.00 1.25 H new ATOM 0 HG21 ILE A 106 13.067 6.472 -13.887 1.00 1.67 H new ATOM 0 HG22 ILE A 106 12.641 5.038 -12.922 1.00 1.67 H new ATOM 0 HG23 ILE A 106 12.750 4.917 -14.694 1.00 1.67 H new ATOM 0 HD11 ILE A 106 11.251 8.512 -16.289 1.00 1.60 H new ATOM 0 HD12 ILE A 106 11.214 8.656 -14.515 1.00 1.60 H new ATOM 0 HD13 ILE A 106 12.562 7.810 -15.311 1.00 1.60 H new ATOM 1702 N LYS A 107 9.436 4.784 -11.637 1.00 0.77 N ATOM 1703 CA LYS A 107 9.262 4.330 -10.271 1.00 0.65 C ATOM 1704 C LYS A 107 7.886 3.705 -10.080 1.00 0.58 C ATOM 1705 O LYS A 107 6.917 4.388 -9.748 1.00 0.59 O ATOM 1706 CB LYS A 107 9.469 5.485 -9.294 1.00 0.80 C ATOM 1707 CG LYS A 107 9.132 5.138 -7.852 1.00 0.52 C ATOM 1708 CD LYS A 107 9.570 3.741 -7.470 1.00 1.41 C ATOM 1709 CE LYS A 107 11.013 3.727 -7.065 1.00 1.58 C ATOM 1710 NZ LYS A 107 11.453 2.384 -6.599 1.00 2.62 N ATOM 0 H LYS A 107 8.975 5.670 -11.845 1.00 0.77 H new ATOM 0 HA LYS A 107 10.012 3.566 -10.066 1.00 0.65 H new ATOM 0 HB2 LYS A 107 10.508 5.811 -9.346 1.00 0.80 H new ATOM 0 HB3 LYS A 107 8.854 6.329 -9.608 1.00 0.80 H new ATOM 0 HG2 LYS A 107 9.610 5.858 -7.188 1.00 0.52 H new ATOM 0 HG3 LYS A 107 8.056 5.231 -7.702 1.00 0.52 H new ATOM 0 HD2 LYS A 107 8.954 3.374 -6.649 1.00 1.41 H new ATOM 0 HD3 LYS A 107 9.417 3.065 -8.311 1.00 1.41 H new ATOM 0 HE2 LYS A 107 11.629 4.036 -7.910 1.00 1.58 H new ATOM 0 HE3 LYS A 107 11.173 4.456 -6.270 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 12.082 2.490 -5.778 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 10.622 1.821 -6.328 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 11.963 1.901 -7.365 1.00 2.62 H new ATOM 1724 N SER A 108 7.807 2.407 -10.296 1.00 0.56 N ATOM 1725 CA SER A 108 6.602 1.668 -9.993 1.00 0.54 C ATOM 1726 C SER A 108 6.654 1.216 -8.541 1.00 0.48 C ATOM 1727 O SER A 108 7.456 0.353 -8.181 1.00 0.55 O ATOM 1728 CB SER A 108 6.477 0.468 -10.926 1.00 0.63 C ATOM 1729 OG SER A 108 6.555 0.875 -12.284 1.00 1.12 O ATOM 0 H SER A 108 8.565 1.843 -10.681 1.00 0.56 H new ATOM 0 HA SER A 108 5.729 2.304 -10.141 1.00 0.54 H new ATOM 0 HB2 SER A 108 7.269 -0.250 -10.711 1.00 0.63 H new ATOM 0 HB3 SER A 108 5.529 -0.040 -10.748 1.00 0.63 H new ATOM 0 HG SER A 108 6.368 1.835 -12.349 1.00 1.12 H new ATOM 1735 N ILE A 109 5.818 1.808 -7.708 1.00 0.39 N ATOM 1736 CA ILE A 109 5.845 1.514 -6.285 1.00 0.36 C ATOM 1737 C ILE A 109 4.559 0.865 -5.831 1.00 0.32 C ATOM 1738 O ILE A 109 3.465 1.343 -6.123 1.00 0.38 O ATOM 1739 CB ILE A 109 6.100 2.768 -5.424 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.720 4.047 -6.173 1.00 0.32 C ATOM 1741 CG2 ILE A 109 7.549 2.809 -4.984 1.00 0.54 C ATOM 1742 CD1 ILE A 109 5.899 5.303 -5.347 1.00 0.39 C ATOM 0 H ILE A 109 5.115 2.492 -7.989 1.00 0.39 H new ATOM 0 HA ILE A 109 6.676 0.823 -6.143 1.00 0.36 H new ATOM 0 HB ILE A 109 5.466 2.710 -4.539 1.00 0.37 H new ATOM 0 HG12 ILE A 109 6.327 4.125 -7.075 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.680 3.977 -6.493 1.00 0.32 H new ATOM 0 HG21 ILE A 109 7.720 3.698 -4.377 1.00 0.54 H new ATOM 0 HG22 ILE A 109 7.776 1.919 -4.397 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.195 2.840 -5.861 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.611 6.172 -5.939 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.271 5.246 -4.458 1.00 0.39 H new ATOM 0 HD13 ILE A 109 6.943 5.397 -5.049 1.00 0.39 H new ATOM 1754 N LEU A 110 4.710 -0.246 -5.141 1.00 0.33 N ATOM 1755 CA LEU A 110 3.589 -0.935 -4.543 1.00 0.34 C ATOM 1756 C LEU A 110 3.483 -0.496 -3.084 1.00 0.35 C ATOM 1757 O LEU A 110 4.390 -0.748 -2.292 1.00 0.41 O ATOM 1758 CB LEU A 110 3.789 -2.458 -4.618 1.00 0.43 C ATOM 1759 CG LEU A 110 3.674 -3.099 -6.012 1.00 0.47 C ATOM 1760 CD1 LEU A 110 4.804 -2.650 -6.933 1.00 1.01 C ATOM 1761 CD2 LEU A 110 3.671 -4.615 -5.895 1.00 1.08 C ATOM 0 H LEU A 110 5.612 -0.695 -4.980 1.00 0.33 H new ATOM 0 HA LEU A 110 2.674 -0.688 -5.082 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.774 -2.693 -4.215 1.00 0.43 H new ATOM 0 HB3 LEU A 110 3.056 -2.931 -3.964 1.00 0.43 H new ATOM 0 HG LEU A 110 2.733 -2.768 -6.451 1.00 0.47 H new ATOM 0 HD11 LEU A 110 4.689 -3.124 -7.908 1.00 1.01 H new ATOM 0 HD12 LEU A 110 4.770 -1.567 -7.049 1.00 1.01 H new ATOM 0 HD13 LEU A 110 5.762 -2.938 -6.501 1.00 1.01 H new ATOM 0 HD21 LEU A 110 3.589 -5.056 -6.888 1.00 1.08 H new ATOM 0 HD22 LEU A 110 4.598 -4.946 -5.426 1.00 1.08 H new ATOM 0 HD23 LEU A 110 2.824 -4.931 -5.286 1.00 1.08 H new ATOM 1773 N LEU A 111 2.390 0.158 -2.729 1.00 0.31 N ATOM 1774 CA LEU A 111 2.255 0.734 -1.395 1.00 0.34 C ATOM 1775 C LEU A 111 1.240 -0.045 -0.562 1.00 0.36 C ATOM 1776 O LEU A 111 0.140 -0.322 -1.025 1.00 0.46 O ATOM 1777 CB LEU A 111 1.827 2.207 -1.489 1.00 0.34 C ATOM 1778 CG LEU A 111 2.796 3.144 -2.223 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.428 4.595 -1.963 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.225 2.881 -1.793 1.00 0.43 C ATOM 0 H LEU A 111 1.586 0.305 -3.339 1.00 0.31 H new ATOM 0 HA LEU A 111 3.226 0.673 -0.904 1.00 0.34 H new ATOM 0 HB2 LEU A 111 0.860 2.252 -1.990 1.00 0.34 H new ATOM 0 HB3 LEU A 111 1.681 2.587 -0.478 1.00 0.34 H new ATOM 0 HG LEU A 111 2.716 2.948 -3.292 1.00 0.32 H new ATOM 0 HD11 LEU A 111 3.124 5.247 -2.490 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.415 4.783 -2.319 1.00 0.38 H new ATOM 0 HD13 LEU A 111 2.480 4.798 -0.893 1.00 0.38 H new ATOM 0 HD21 LEU A 111 4.895 3.556 -2.325 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.319 3.048 -0.720 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.490 1.849 -2.024 1.00 0.43 H new ATOM 1792 N PRO A 112 1.606 -0.445 0.667 1.00 0.30 N ATOM 1793 CA PRO A 112 0.671 -1.083 1.593 1.00 0.29 C ATOM 1794 C PRO A 112 -0.556 -0.208 1.848 1.00 0.27 C ATOM 1795 O PRO A 112 -0.451 0.892 2.395 1.00 0.30 O ATOM 1796 CB PRO A 112 1.480 -1.277 2.883 1.00 0.33 C ATOM 1797 CG PRO A 112 2.716 -0.458 2.716 1.00 0.53 C ATOM 1798 CD PRO A 112 2.955 -0.332 1.236 1.00 0.33 C ATOM 0 HA PRO A 112 0.284 -2.021 1.195 1.00 0.29 H new ATOM 0 HB2 PRO A 112 0.911 -0.952 3.754 1.00 0.33 H new ATOM 0 HB3 PRO A 112 1.725 -2.328 3.036 1.00 0.33 H new ATOM 0 HG2 PRO A 112 2.594 0.524 3.173 1.00 0.53 H new ATOM 0 HG3 PRO A 112 3.565 -0.935 3.206 1.00 0.53 H new ATOM 0 HD2 PRO A 112 3.420 0.621 0.983 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.615 -1.117 0.866 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.717 -0.722 1.454 1.00 0.27 N ATOM 1807 CA ILE A 113 -2.974 0.029 1.489 1.00 0.27 C ATOM 1808 C ILE A 113 -3.347 0.488 2.911 1.00 0.29 C ATOM 1809 O ILE A 113 -4.111 1.438 3.085 1.00 0.31 O ATOM 1810 CB ILE A 113 -4.118 -0.800 0.844 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.417 0.003 0.767 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.334 -2.105 1.595 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.580 -0.770 0.179 1.00 0.45 C ATOM 0 H ILE A 113 -1.816 -1.673 1.100 1.00 0.27 H new ATOM 0 HA ILE A 113 -2.828 0.936 0.902 1.00 0.27 H new ATOM 0 HB ILE A 113 -3.815 -1.039 -0.176 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.685 0.339 1.769 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.246 0.896 0.166 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -5.140 -2.667 1.124 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.418 -2.695 1.570 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.599 -1.890 2.630 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.465 -0.135 0.157 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.333 -1.083 -0.835 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.779 -1.649 0.792 1.00 0.45 H new ATOM 1825 N GLU A 114 -2.800 -0.174 3.920 1.00 0.32 N ATOM 1826 CA GLU A 114 -3.035 0.212 5.312 1.00 0.39 C ATOM 1827 C GLU A 114 -2.539 1.639 5.591 1.00 0.38 C ATOM 1828 O GLU A 114 -3.178 2.402 6.317 1.00 0.46 O ATOM 1829 CB GLU A 114 -2.332 -0.786 6.243 1.00 0.47 C ATOM 1830 CG GLU A 114 -2.425 -0.442 7.724 1.00 0.73 C ATOM 1831 CD GLU A 114 -3.813 -0.634 8.302 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -4.651 0.276 8.148 1.00 2.32 O ATOM 1833 OE2 GLU A 114 -4.081 -1.704 8.881 1.00 1.86 O ATOM 0 H GLU A 114 -2.189 -0.983 3.805 1.00 0.32 H new ATOM 0 HA GLU A 114 -4.109 0.195 5.498 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -2.762 -1.775 6.085 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -1.280 -0.847 5.962 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -1.720 -1.062 8.278 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -2.120 0.594 7.868 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.419 2.013 4.980 1.00 0.32 N ATOM 1841 CA LEU A 115 -0.770 3.288 5.289 1.00 0.33 C ATOM 1842 C LEU A 115 -1.313 4.435 4.444 1.00 0.32 C ATOM 1843 O LEU A 115 -0.947 5.594 4.652 1.00 0.33 O ATOM 1844 CB LEU A 115 0.741 3.181 5.085 1.00 0.41 C ATOM 1845 CG LEU A 115 1.468 2.232 6.034 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.950 2.191 5.702 1.00 0.62 C ATOM 1847 CD2 LEU A 115 1.256 2.654 7.480 1.00 0.58 C ATOM 0 H LEU A 115 -0.942 1.456 4.271 1.00 0.32 H new ATOM 0 HA LEU A 115 -0.990 3.507 6.334 1.00 0.33 H new ATOM 0 HB2 LEU A 115 0.930 2.858 4.061 1.00 0.41 H new ATOM 0 HB3 LEU A 115 1.175 4.175 5.190 1.00 0.41 H new ATOM 0 HG LEU A 115 1.055 1.231 5.907 1.00 0.51 H new ATOM 0 HD11 LEU A 115 3.457 1.511 6.386 1.00 0.62 H new ATOM 0 HD12 LEU A 115 3.084 1.843 4.678 1.00 0.62 H new ATOM 0 HD13 LEU A 115 3.373 3.190 5.804 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.782 1.965 8.141 1.00 0.58 H new ATOM 0 HD22 LEU A 115 1.643 3.663 7.625 1.00 0.58 H new ATOM 0 HD23 LEU A 115 0.191 2.637 7.712 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.170 4.127 3.489 1.00 0.37 N ATOM 1860 CA CYS A 116 -2.718 5.164 2.636 1.00 0.39 C ATOM 1861 C CYS A 116 -4.101 5.586 3.110 1.00 0.34 C ATOM 1862 O CYS A 116 -5.008 4.762 3.260 1.00 0.38 O ATOM 1863 CB CYS A 116 -2.763 4.710 1.175 1.00 0.48 C ATOM 1864 SG CYS A 116 -3.749 3.232 0.871 1.00 0.86 S ATOM 0 H CYS A 116 -2.498 3.183 3.286 1.00 0.37 H new ATOM 0 HA CYS A 116 -2.058 6.029 2.701 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -3.159 5.525 0.568 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -1.744 4.526 0.835 1.00 0.48 H new ATOM 0 HG CYS A 116 -4.033 2.660 2.003 1.00 0.86 H new ATOM 1870 N SER A 117 -4.245 6.872 3.370 1.00 0.32 N ATOM 1871 CA SER A 117 -5.524 7.442 3.734 1.00 0.29 C ATOM 1872 C SER A 117 -6.163 8.048 2.504 1.00 0.24 C ATOM 1873 O SER A 117 -5.663 9.027 1.946 1.00 0.29 O ATOM 1874 CB SER A 117 -5.340 8.492 4.830 1.00 0.35 C ATOM 1875 OG SER A 117 -4.623 7.951 5.931 1.00 0.97 O ATOM 0 H SER A 117 -3.481 7.547 3.334 1.00 0.32 H new ATOM 0 HA SER A 117 -6.178 6.663 4.125 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.805 9.353 4.429 1.00 0.35 H new ATOM 0 HB3 SER A 117 -6.314 8.850 5.165 1.00 0.35 H new ATOM 0 HG SER A 117 -4.514 8.639 6.620 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.243 7.436 2.055 1.00 0.19 N ATOM 1882 CA ILE A 118 -7.962 7.946 0.917 1.00 0.21 C ATOM 1883 C ILE A 118 -8.694 9.210 1.332 1.00 0.32 C ATOM 1884 O ILE A 118 -9.686 9.175 2.065 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.945 6.901 0.321 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.713 7.504 -0.857 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.909 6.364 1.376 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.607 6.515 -1.574 1.00 0.35 C ATOM 0 H ILE A 118 -7.636 6.588 2.464 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.247 8.172 0.126 1.00 0.21 H new ATOM 0 HB ILE A 118 -8.355 6.058 -0.038 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.321 8.334 -0.496 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -9.000 7.918 -1.570 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.580 5.636 0.919 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.344 5.885 2.175 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.493 7.187 1.788 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -11.118 7.016 -2.396 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -10.003 5.697 -1.967 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -11.345 6.119 -0.876 1.00 0.35 H new ATOM 1900 N GLU A 119 -8.157 10.332 0.915 1.00 0.45 N ATOM 1901 CA GLU A 119 -8.788 11.596 1.178 1.00 0.61 C ATOM 1902 C GLU A 119 -9.476 12.054 -0.093 1.00 0.83 C ATOM 1903 O GLU A 119 -8.987 11.791 -1.195 1.00 0.96 O ATOM 1904 CB GLU A 119 -7.769 12.627 1.671 1.00 0.82 C ATOM 1905 CG GLU A 119 -7.123 12.230 2.993 1.00 1.47 C ATOM 1906 CD GLU A 119 -6.374 13.362 3.666 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -6.991 14.407 3.947 1.00 2.44 O ATOM 1908 OE2 GLU A 119 -5.163 13.211 3.932 1.00 1.66 O ATOM 0 H GLU A 119 -7.283 10.392 0.392 1.00 0.45 H new ATOM 0 HA GLU A 119 -9.527 11.487 1.972 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -6.993 12.755 0.916 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -8.262 13.592 1.788 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -7.895 11.864 3.670 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -6.434 11.403 2.818 1.00 1.47 H new ATOM 1915 N GLU A 120 -10.617 12.717 0.054 1.00 1.06 N ATOM 1916 CA GLU A 120 -11.494 12.979 -1.083 1.00 1.32 C ATOM 1917 C GLU A 120 -10.842 13.885 -2.130 1.00 1.65 C ATOM 1918 O GLU A 120 -11.354 14.025 -3.243 1.00 1.92 O ATOM 1919 CB GLU A 120 -12.823 13.584 -0.628 1.00 1.73 C ATOM 1920 CG GLU A 120 -12.710 14.996 -0.085 1.00 2.13 C ATOM 1921 CD GLU A 120 -14.051 15.699 -0.069 1.00 2.61 C ATOM 1922 OE1 GLU A 120 -14.515 16.143 -1.136 1.00 3.11 O ATOM 1923 OE2 GLU A 120 -14.637 15.830 1.025 1.00 2.72 O ATOM 0 H GLU A 120 -10.956 13.082 0.944 1.00 1.06 H new ATOM 0 HA GLU A 120 -11.683 12.013 -1.552 1.00 1.32 H new ATOM 0 HB2 GLU A 120 -13.516 13.585 -1.469 1.00 1.73 H new ATOM 0 HB3 GLU A 120 -13.256 12.945 0.141 1.00 1.73 H new ATOM 0 HG2 GLU A 120 -12.303 14.966 0.926 1.00 2.13 H new ATOM 0 HG3 GLU A 120 -12.008 15.565 -0.694 1.00 2.13 H new ATOM 1930 N GLY A 121 -9.732 14.514 -1.770 1.00 1.79 N ATOM 1931 CA GLY A 121 -9.023 15.362 -2.707 1.00 2.29 C ATOM 1932 C GLY A 121 -9.482 16.801 -2.630 1.00 2.43 C ATOM 1933 O GLY A 121 -8.662 17.719 -2.563 1.00 3.05 O ATOM 0 H GLY A 121 -9.309 14.452 -0.844 1.00 1.79 H new ATOM 0 HA2 GLY A 121 -7.953 15.312 -2.504 1.00 2.29 H new ATOM 0 HA3 GLY A 121 -9.173 14.988 -3.720 1.00 2.29 H new ATOM 1937 N GLN A 122 -10.796 16.998 -2.628 1.00 2.55 N ATOM 1938 CA GLN A 122 -11.376 18.333 -2.507 1.00 3.50 C ATOM 1939 C GLN A 122 -11.084 18.899 -1.123 1.00 4.00 C ATOM 1940 O GLN A 122 -10.966 20.113 -0.932 1.00 4.71 O ATOM 1941 CB GLN A 122 -12.888 18.287 -2.728 1.00 4.26 C ATOM 1942 CG GLN A 122 -13.309 17.601 -4.015 1.00 4.41 C ATOM 1943 CD GLN A 122 -14.816 17.573 -4.195 1.00 5.12 C ATOM 1944 OE1 GLN A 122 -15.364 16.647 -4.790 1.00 5.26 O ATOM 1945 NE2 GLN A 122 -15.495 18.596 -3.696 1.00 5.89 N ATOM 0 H GLN A 122 -11.483 16.248 -2.709 1.00 2.55 H new ATOM 0 HA GLN A 122 -10.929 18.973 -3.268 1.00 3.50 H new ATOM 0 HB2 GLN A 122 -13.351 17.772 -1.887 1.00 4.26 H new ATOM 0 HB3 GLN A 122 -13.275 19.306 -2.730 1.00 4.26 H new ATOM 0 HG2 GLN A 122 -12.855 18.115 -4.862 1.00 4.41 H new ATOM 0 HG3 GLN A 122 -12.927 16.580 -4.020 1.00 4.41 H new ATOM 0 HE21 GLN A 122 -15.004 19.345 -3.209 1.00 5.89 H new ATOM 0 HE22 GLN A 122 -16.509 18.634 -3.799 1.00 5.89 H new ATOM 1954 N ALA A 123 -10.973 18.003 -0.163 1.00 4.01 N ATOM 1955 CA ALA A 123 -10.693 18.368 1.208 1.00 4.97 C ATOM 1956 C ALA A 123 -9.631 17.445 1.781 1.00 5.11 C ATOM 1957 O ALA A 123 -9.974 16.301 2.143 1.00 5.43 O ATOM 1958 CB ALA A 123 -11.963 18.309 2.038 1.00 5.74 C ATOM 1959 OXT ALA A 123 -8.456 17.864 1.840 1.00 5.29 O ATOM 0 H ALA A 123 -11.075 16.999 -0.314 1.00 4.01 H new ATOM 0 HA ALA A 123 -10.316 19.391 1.236 1.00 4.97 H new ATOM 0 HB1 ALA A 123 -11.738 18.586 3.068 1.00 5.74 H new ATOM 0 HB2 ALA A 123 -12.698 19.002 1.628 1.00 5.74 H new ATOM 0 HB3 ALA A 123 -12.366 17.297 2.015 1.00 5.74 H new TER 1965 ALA A 123 ATOM 1966 P A B 204 12.132 4.781 -4.034 1.00 0.94 P ATOM 1967 OP1 A B 204 13.008 3.693 -4.539 1.00 1.39 O ATOM 1968 OP2 A B 204 11.326 5.572 -4.995 1.00 1.43 O ATOM 1969 O5' A B 204 11.148 4.167 -2.943 1.00 0.74 O ATOM 1970 C5' A B 204 9.755 4.473 -2.931 1.00 0.54 C ATOM 1971 C4' A B 204 9.459 5.226 -1.662 1.00 0.57 C ATOM 1972 O4' A B 204 10.258 6.430 -1.683 1.00 0.80 O ATOM 1973 C3' A B 204 8.047 5.761 -1.505 1.00 0.71 C ATOM 1974 O3' A B 204 7.812 6.195 -0.169 1.00 0.83 O ATOM 1975 C2' A B 204 8.063 6.947 -2.465 1.00 0.92 C ATOM 1976 O2' A B 204 7.167 7.959 -2.051 1.00 1.25 O ATOM 1977 C1' A B 204 9.502 7.452 -2.305 1.00 0.96 C ATOM 1978 N9 A B 204 10.153 7.816 -3.566 1.00 1.03 N ATOM 1979 C8 A B 204 11.477 8.126 -3.758 1.00 1.20 C ATOM 1980 N7 A B 204 11.772 8.449 -4.994 1.00 1.33 N ATOM 1981 C5 A B 204 10.562 8.344 -5.664 1.00 1.23 C ATOM 1982 C6 A B 204 10.204 8.557 -7.005 1.00 1.33 C ATOM 1983 N6 A B 204 11.066 8.936 -7.949 1.00 1.54 N ATOM 1984 N1 A B 204 8.913 8.365 -7.349 1.00 1.27 N ATOM 1985 C2 A B 204 8.048 7.982 -6.401 1.00 1.14 C ATOM 1986 N3 A B 204 8.263 7.754 -5.108 1.00 1.03 N ATOM 1987 C4 A B 204 9.555 7.953 -4.798 1.00 1.06 C ATOM 0 H5' A B 204 9.163 3.559 -2.980 1.00 0.54 H new ATOM 0 H5'' A B 204 9.488 5.072 -3.802 1.00 0.54 H new ATOM 0 H4' A B 204 9.649 4.504 -0.868 1.00 0.57 H new ATOM 0 H3' A B 204 7.267 5.028 -1.712 1.00 0.71 H new ATOM 0 H2' A B 204 7.772 6.682 -3.481 1.00 0.92 H new ATOM 0 HO2' A B 204 6.934 7.824 -1.109 1.00 1.25 H new ATOM 0 H1' A B 204 9.456 8.363 -1.709 1.00 0.96 H new ATOM 0 H8 A B 204 12.208 8.106 -2.964 1.00 1.20 H new ATOM 0 H61 A B 204 10.745 9.075 -8.907 1.00 1.54 H new ATOM 0 H62 A B 204 12.047 9.087 -7.713 1.00 1.54 H new ATOM 0 H2 A B 204 7.031 7.838 -6.734 1.00 1.14 H new ATOM 1999 P C B 205 7.259 5.186 0.955 1.00 0.79 P ATOM 2000 OP1 C B 205 6.029 5.793 1.519 1.00 1.29 O ATOM 2001 OP2 C B 205 8.385 4.848 1.863 1.00 0.93 O ATOM 2002 O5' C B 205 6.842 3.871 0.158 1.00 0.93 O ATOM 2003 C5' C B 205 7.432 2.607 0.456 1.00 0.77 C ATOM 2004 C4' C B 205 7.492 1.760 -0.791 1.00 0.68 C ATOM 2005 O4' C B 205 8.568 2.271 -1.612 1.00 0.58 O ATOM 2006 C3' C B 205 7.796 0.284 -0.552 1.00 0.90 C ATOM 2007 O3' C B 205 6.632 -0.521 -0.753 1.00 1.30 O ATOM 2008 C2' C B 205 8.874 -0.098 -1.564 1.00 0.66 C ATOM 2009 O2' C B 205 8.368 -0.987 -2.540 1.00 0.92 O ATOM 2010 C1' C B 205 9.260 1.217 -2.244 1.00 0.54 C ATOM 2011 N1 C B 205 10.701 1.500 -2.171 1.00 0.66 N ATOM 2012 C2 C B 205 11.524 1.089 -3.224 1.00 0.97 C ATOM 2013 O2 C B 205 11.010 0.578 -4.232 1.00 1.09 O ATOM 2014 N3 C B 205 12.858 1.293 -3.135 1.00 1.23 N ATOM 2015 C4 C B 205 13.374 1.885 -2.055 1.00 1.21 C ATOM 2016 N4 C B 205 14.696 2.057 -2.010 1.00 1.53 N ATOM 2017 C5 C B 205 12.557 2.321 -0.973 1.00 0.96 C ATOM 2018 C6 C B 205 11.238 2.114 -1.072 1.00 0.71 C ATOM 0 H5' C B 205 6.851 2.097 1.224 1.00 0.77 H new ATOM 0 H5'' C B 205 8.435 2.750 0.857 1.00 0.77 H new ATOM 0 H4' C B 205 6.503 1.818 -1.246 1.00 0.68 H new ATOM 0 H3' C B 205 8.125 0.119 0.474 1.00 0.90 H new ATOM 0 H2' C B 205 9.713 -0.595 -1.076 1.00 0.66 H new ATOM 0 HO2' C B 205 7.402 -1.096 -2.414 1.00 0.92 H new ATOM 0 HO3' C B 205 6.108 -0.158 -1.497 1.00 1.30 H new ATOM 0 H1' C B 205 8.995 1.127 -3.297 1.00 0.54 H new ATOM 0 H41 C B 205 15.125 2.506 -1.200 1.00 1.53 H new ATOM 0 H42 C B 205 15.278 1.740 -2.785 1.00 1.53 H new ATOM 0 H5 C B 205 12.985 2.801 -0.105 1.00 0.96 H new ATOM 0 H6 C B 205 10.588 2.436 -0.272 1.00 0.71 H new TER 2031 C B 205