USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 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 18 GLN : amide:sc= -0.856 X(o=-2.2,f=-2.3!) USER MOD Set 1.2: A 64 ASN : amide:sc= -1.35 K(o=-2.2,f=-5.8!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -114:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot 39:sc= 1.67 USER MOD Single : A 3 GLN : amide:sc= -0.0198 K(o=-0.02,f=-0.89) USER MOD Single : A 11 SER OG : rot -14:sc= 0.568 USER MOD Single : A 14 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.017) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 73:sc= 1.01 USER MOD Single : A 31 TYR OH : rot -130:sc= -0.415 USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= 0.566 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.205) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 58 GLN : amide:sc= 0.0317 K(o=0.032,f=-4.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 16:sc= 0.322 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc=-0.00819 X(o=-0.0082,f=-0.42) USER MOD Single : A 75 TYR OH : rot -155:sc= 1.26 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0988 USER MOD Single : A 89 GLN : amide:sc= -0.66! X(o=-0.66!,f=-0.29) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 96 THR OG1 : rot -64:sc= 0.856 USER MOD Single : A 98 LYS NZ :NH3+ -131:sc= -0.0564 (180deg=-0.109) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 14.654 -1.123 3.448 1.00 0.15 N ATOM 21 CA VAL A 2 13.430 -0.487 3.004 1.00 0.10 C ATOM 22 C VAL A 2 12.437 -0.399 4.171 1.00 0.09 C ATOM 23 O VAL A 2 12.523 -1.160 5.133 1.00 0.12 O ATOM 24 CB VAL A 2 12.788 -1.245 1.812 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.608 -0.474 1.276 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.793 -1.485 0.700 1.00 0.09 C ATOM 0 HA VAL A 2 13.679 0.517 2.660 1.00 0.10 H new ATOM 0 HB VAL A 2 12.450 -2.214 2.180 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.168 -1.018 0.440 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.864 -0.354 2.063 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.939 0.508 0.937 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.309 -2.018 -0.119 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.170 -0.529 0.338 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.622 -2.081 1.081 1.00 0.09 H new ATOM 36 N GLN A 3 11.518 0.537 4.071 1.00 0.09 N ATOM 37 CA GLN A 3 10.524 0.817 5.090 1.00 0.10 C ATOM 38 C GLN A 3 9.165 0.842 4.407 1.00 0.11 C ATOM 39 O GLN A 3 9.098 1.071 3.204 1.00 0.17 O ATOM 40 CB GLN A 3 10.853 2.167 5.741 1.00 0.16 C ATOM 41 CG GLN A 3 9.718 2.760 6.543 1.00 0.79 C ATOM 42 CD GLN A 3 9.440 2.004 7.828 1.00 1.14 C ATOM 43 OE1 GLN A 3 10.339 1.416 8.426 1.00 1.37 O ATOM 44 NE2 GLN A 3 8.188 2.006 8.252 1.00 2.03 N ATOM 0 H GLN A 3 11.438 1.143 3.255 1.00 0.09 H new ATOM 0 HA GLN A 3 10.517 0.059 5.873 1.00 0.10 H new ATOM 0 HB2 GLN A 3 11.718 2.042 6.393 1.00 0.16 H new ATOM 0 HB3 GLN A 3 11.140 2.873 4.962 1.00 0.16 H new ATOM 0 HG2 GLN A 3 9.953 3.797 6.782 1.00 0.79 H new ATOM 0 HG3 GLN A 3 8.816 2.770 5.932 1.00 0.79 H new ATOM 0 HE21 GLN A 3 7.472 2.507 7.726 1.00 2.03 H new ATOM 0 HE22 GLN A 3 7.938 1.507 9.106 1.00 2.03 H new ATOM 53 N CYS A 4 8.087 0.593 5.130 1.00 0.12 N ATOM 54 CA CYS A 4 6.804 0.481 4.470 1.00 0.13 C ATOM 55 C CYS A 4 5.674 1.059 5.308 1.00 0.17 C ATOM 56 O CYS A 4 5.744 1.119 6.539 1.00 0.29 O ATOM 57 CB CYS A 4 6.514 -0.979 4.125 1.00 0.17 C ATOM 58 SG CYS A 4 5.686 -1.915 5.446 1.00 0.30 S ATOM 0 H CYS A 4 8.074 0.468 6.142 1.00 0.12 H new ATOM 0 HA CYS A 4 6.858 1.066 3.552 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.893 -1.011 3.230 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.453 -1.475 3.879 1.00 0.17 H new ATOM 63 N GLU A 5 4.651 1.494 4.599 1.00 0.14 N ATOM 64 CA GLU A 5 3.420 2.005 5.157 1.00 0.16 C ATOM 65 C GLU A 5 2.290 1.630 4.212 1.00 0.15 C ATOM 66 O GLU A 5 2.531 1.064 3.149 1.00 0.17 O ATOM 67 CB GLU A 5 3.468 3.524 5.321 1.00 0.24 C ATOM 68 CG GLU A 5 4.475 4.003 6.348 1.00 0.33 C ATOM 69 CD GLU A 5 4.420 5.503 6.549 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.517 5.971 7.276 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.270 6.220 5.980 1.00 1.87 O ATOM 0 H GLU A 5 4.657 1.500 3.579 1.00 0.14 H new ATOM 0 HA GLU A 5 3.266 1.573 6.146 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.705 3.976 4.358 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.478 3.880 5.605 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.287 3.504 7.299 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.478 3.717 6.031 1.00 0.33 H new ATOM 78 N VAL A 6 1.069 1.934 4.584 1.00 0.17 N ATOM 79 CA VAL A 6 -0.076 1.583 3.778 1.00 0.18 C ATOM 80 C VAL A 6 -1.038 2.746 3.682 1.00 0.21 C ATOM 81 O VAL A 6 -1.477 3.284 4.694 1.00 0.33 O ATOM 82 CB VAL A 6 -0.801 0.367 4.358 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.190 -0.917 3.825 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.734 0.403 5.875 1.00 0.20 C ATOM 0 H VAL A 6 0.842 2.428 5.447 1.00 0.17 H new ATOM 0 HA VAL A 6 0.286 1.335 2.780 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.847 0.398 4.053 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.717 -1.773 4.247 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.276 -0.937 2.739 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.862 -0.964 4.106 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.252 -0.465 6.283 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.308 0.387 6.194 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.210 1.313 6.239 1.00 0.20 H new ATOM 94 N GLU A 7 -1.350 3.145 2.467 1.00 0.16 N ATOM 95 CA GLU A 7 -2.197 4.304 2.262 1.00 0.16 C ATOM 96 C GLU A 7 -3.362 4.008 1.339 1.00 0.16 C ATOM 97 O GLU A 7 -3.311 3.115 0.494 1.00 0.28 O ATOM 98 CB GLU A 7 -1.397 5.470 1.679 1.00 0.26 C ATOM 99 CG GLU A 7 0.006 5.608 2.233 1.00 0.24 C ATOM 100 CD GLU A 7 0.450 7.053 2.311 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.701 7.658 1.250 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.556 7.588 3.436 1.00 1.11 O ATOM 0 H GLU A 7 -1.033 2.689 1.611 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.588 4.572 3.243 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.337 5.348 0.598 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.940 6.396 1.865 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.048 5.163 3.227 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.700 5.050 1.604 1.00 0.24 H new ATOM 109 N ALA A 8 -4.410 4.771 1.530 1.00 0.14 N ATOM 110 CA ALA A 8 -5.535 4.786 0.631 1.00 0.12 C ATOM 111 C ALA A 8 -5.732 6.220 0.151 1.00 0.15 C ATOM 112 O ALA A 8 -5.857 7.133 0.964 1.00 0.17 O ATOM 113 CB ALA A 8 -6.762 4.280 1.356 1.00 0.13 C ATOM 0 H ALA A 8 -4.506 5.405 2.323 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.362 4.138 -0.228 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.615 4.290 0.678 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.586 3.262 1.702 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.970 4.923 2.211 1.00 0.13 H new ATOM 119 N ALA A 9 -5.747 6.427 -1.151 1.00 0.16 N ATOM 120 CA ALA A 9 -5.839 7.770 -1.705 1.00 0.19 C ATOM 121 C ALA A 9 -7.221 8.016 -2.280 1.00 0.19 C ATOM 122 O ALA A 9 -7.553 7.531 -3.359 1.00 0.20 O ATOM 123 CB ALA A 9 -4.773 7.971 -2.770 1.00 0.22 C ATOM 0 H ALA A 9 -5.697 5.684 -1.848 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.671 8.490 -0.904 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -4.851 8.979 -3.177 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.786 7.834 -2.328 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.916 7.244 -3.570 1.00 0.22 H new ATOM 129 N VAL A 10 -8.020 8.782 -1.566 1.00 0.22 N ATOM 130 CA VAL A 10 -9.398 9.003 -1.960 1.00 0.23 C ATOM 131 C VAL A 10 -9.536 10.203 -2.890 1.00 0.27 C ATOM 132 O VAL A 10 -9.190 11.331 -2.530 1.00 0.33 O ATOM 133 CB VAL A 10 -10.308 9.193 -0.731 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.741 9.461 -1.163 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.238 7.971 0.172 1.00 0.27 C ATOM 0 H VAL A 10 -7.740 9.262 -0.711 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.715 8.111 -2.500 1.00 0.23 H new ATOM 0 HB VAL A 10 -9.956 10.058 -0.169 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.368 9.592 -0.281 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.775 10.365 -1.770 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.109 8.618 -1.747 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -10.886 8.119 1.036 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.566 7.091 -0.381 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.212 7.826 0.509 1.00 0.27 H new ATOM 145 N SER A 11 -10.039 9.942 -4.084 1.00 0.29 N ATOM 146 CA SER A 11 -10.349 10.984 -5.039 1.00 0.36 C ATOM 147 C SER A 11 -11.864 11.116 -5.148 1.00 0.45 C ATOM 148 O SER A 11 -12.602 10.370 -4.500 1.00 0.63 O ATOM 149 CB SER A 11 -9.733 10.663 -6.405 1.00 0.45 C ATOM 150 OG SER A 11 -10.255 9.456 -6.942 1.00 1.22 O ATOM 0 H SER A 11 -10.243 8.999 -4.416 1.00 0.29 H new ATOM 0 HA SER A 11 -9.926 11.929 -4.699 1.00 0.36 H new ATOM 0 HB2 SER A 11 -9.929 11.484 -7.095 1.00 0.45 H new ATOM 0 HB3 SER A 11 -8.651 10.580 -6.307 1.00 0.45 H new ATOM 0 HG SER A 11 -10.722 8.960 -6.238 1.00 1.22 H new ATOM 156 N GLY A 12 -12.329 12.060 -5.949 1.00 0.45 N ATOM 157 CA GLY A 12 -13.754 12.259 -6.102 1.00 0.54 C ATOM 158 C GLY A 12 -14.442 11.077 -6.760 1.00 0.49 C ATOM 159 O GLY A 12 -14.407 10.936 -7.982 1.00 0.61 O ATOM 0 H GLY A 12 -11.745 12.693 -6.496 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.200 12.435 -5.123 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -13.930 13.155 -6.698 1.00 0.54 H new ATOM 163 N GLY A 13 -15.043 10.213 -5.948 1.00 0.45 N ATOM 164 CA GLY A 13 -15.816 9.103 -6.476 1.00 0.48 C ATOM 165 C GLY A 13 -15.063 7.784 -6.470 1.00 0.41 C ATOM 166 O GLY A 13 -15.661 6.720 -6.619 1.00 0.45 O ATOM 0 H GLY A 13 -15.008 10.262 -4.930 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.728 8.994 -5.889 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.119 9.335 -7.497 1.00 0.48 H new ATOM 170 N HIS A 14 -13.752 7.841 -6.287 1.00 0.34 N ATOM 171 CA HIS A 14 -12.926 6.639 -6.341 1.00 0.31 C ATOM 172 C HIS A 14 -11.841 6.695 -5.285 1.00 0.30 C ATOM 173 O HIS A 14 -11.429 7.769 -4.868 1.00 0.43 O ATOM 174 CB HIS A 14 -12.280 6.475 -7.721 1.00 0.34 C ATOM 175 CG HIS A 14 -13.255 6.204 -8.822 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.664 7.166 -9.718 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.896 5.067 -9.175 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.515 6.633 -10.572 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.674 5.360 -10.266 1.00 1.82 N ATOM 0 H HIS A 14 -13.237 8.702 -6.101 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.575 5.784 -6.152 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.722 7.380 -7.959 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.560 5.658 -7.679 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.811 4.107 -8.688 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.000 7.152 -11.386 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.277 4.701 -10.760 1.00 1.82 H new ATOM 188 N VAL A 15 -11.380 5.541 -4.854 1.00 0.23 N ATOM 189 CA VAL A 15 -10.299 5.482 -3.896 1.00 0.20 C ATOM 190 C VAL A 15 -9.151 4.649 -4.459 1.00 0.18 C ATOM 191 O VAL A 15 -9.306 3.471 -4.758 1.00 0.17 O ATOM 192 CB VAL A 15 -10.785 4.944 -2.519 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.479 3.594 -2.643 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.633 4.858 -1.532 1.00 0.17 C ATOM 0 H VAL A 15 -11.736 4.633 -5.151 1.00 0.23 H new ATOM 0 HA VAL A 15 -9.933 6.494 -3.721 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.518 5.656 -2.141 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.801 3.258 -1.657 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.347 3.690 -3.295 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.786 2.866 -3.066 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -9.999 4.479 -0.578 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.870 4.184 -1.921 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.202 5.849 -1.388 1.00 0.17 H new ATOM 204 N THR A 16 -8.007 5.285 -4.631 1.00 0.17 N ATOM 205 CA THR A 16 -6.831 4.621 -5.158 1.00 0.16 C ATOM 206 C THR A 16 -5.955 4.173 -4.004 1.00 0.14 C ATOM 207 O THR A 16 -5.447 4.991 -3.257 1.00 0.15 O ATOM 208 CB THR A 16 -6.020 5.571 -6.060 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.798 5.966 -7.197 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.725 4.915 -6.513 1.00 0.19 C ATOM 0 H THR A 16 -7.868 6.271 -4.410 1.00 0.17 H new ATOM 0 HA THR A 16 -7.153 3.765 -5.750 1.00 0.16 H new ATOM 0 HB THR A 16 -5.770 6.459 -5.479 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.271 6.571 -7.760 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.170 5.605 -7.148 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.122 4.660 -5.641 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.953 4.009 -7.074 1.00 0.19 H new ATOM 218 N LEU A 17 -5.763 2.886 -3.863 1.00 0.12 N ATOM 219 CA LEU A 17 -5.067 2.379 -2.705 1.00 0.10 C ATOM 220 C LEU A 17 -3.678 1.905 -3.074 1.00 0.13 C ATOM 221 O LEU A 17 -3.505 1.212 -4.073 1.00 0.17 O ATOM 222 CB LEU A 17 -5.861 1.261 -2.082 1.00 0.11 C ATOM 223 CG LEU A 17 -5.787 1.223 -0.565 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.160 0.966 0.010 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.784 0.188 -0.093 1.00 0.11 C ATOM 0 H LEU A 17 -6.074 2.176 -4.526 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.962 3.186 -1.980 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.904 1.358 -2.383 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.503 0.310 -2.477 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.440 2.192 -0.206 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.100 0.940 1.098 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.838 1.762 -0.297 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.534 0.010 -0.356 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.752 0.183 0.997 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.082 -0.797 -0.452 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.797 0.434 -0.484 1.00 0.11 H new ATOM 237 N GLN A 18 -2.696 2.300 -2.273 1.00 0.15 N ATOM 238 CA GLN A 18 -1.304 1.987 -2.538 1.00 0.19 C ATOM 239 C GLN A 18 -0.530 1.897 -1.222 1.00 0.24 C ATOM 240 O GLN A 18 -0.780 2.668 -0.298 1.00 0.51 O ATOM 241 CB GLN A 18 -0.678 3.087 -3.390 1.00 0.32 C ATOM 242 CG GLN A 18 -1.427 3.439 -4.659 1.00 0.78 C ATOM 243 CD GLN A 18 -1.001 4.779 -5.227 1.00 1.03 C ATOM 244 OE1 GLN A 18 -0.594 5.682 -4.492 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.097 4.925 -6.537 1.00 1.77 N ATOM 0 H GLN A 18 -2.845 2.845 -1.424 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.257 1.034 -3.064 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.588 3.987 -2.781 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.333 2.782 -3.659 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -1.260 2.661 -5.404 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.497 3.458 -4.453 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -1.438 4.155 -7.112 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.830 5.808 -6.973 1.00 1.77 H new ATOM 254 N GLY A 19 0.422 0.982 -1.137 1.00 0.17 N ATOM 255 CA GLY A 19 1.247 0.894 0.057 1.00 0.18 C ATOM 256 C GLY A 19 2.544 1.666 -0.107 1.00 0.18 C ATOM 257 O GLY A 19 3.264 1.466 -1.076 1.00 0.19 O ATOM 0 H GLY A 19 0.640 0.302 -1.865 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.695 1.285 0.912 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.469 -0.151 0.271 1.00 0.18 H new ATOM 261 N VAL A 20 2.849 2.546 0.835 1.00 0.17 N ATOM 262 CA VAL A 20 4.034 3.394 0.736 1.00 0.18 C ATOM 263 C VAL A 20 5.268 2.670 1.235 1.00 0.21 C ATOM 264 O VAL A 20 5.214 1.879 2.161 1.00 0.45 O ATOM 265 CB VAL A 20 3.836 4.735 1.489 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.149 5.313 2.009 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.159 5.742 0.576 1.00 0.20 C ATOM 0 H VAL A 20 2.294 2.694 1.678 1.00 0.17 H new ATOM 0 HA VAL A 20 4.183 3.625 -0.319 1.00 0.18 H new ATOM 0 HB VAL A 20 3.207 4.529 2.355 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.953 6.251 2.528 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.610 4.606 2.699 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.823 5.495 1.172 1.00 0.24 H new ATOM 0 HG21 VAL A 20 3.022 6.682 1.110 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.780 5.911 -0.304 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.188 5.356 0.266 1.00 0.20 H new ATOM 277 N ILE A 21 6.363 2.917 0.566 1.00 0.13 N ATOM 278 CA ILE A 21 7.629 2.324 0.902 1.00 0.11 C ATOM 279 C ILE A 21 8.693 3.395 0.994 1.00 0.13 C ATOM 280 O ILE A 21 9.129 3.947 -0.008 1.00 0.14 O ATOM 281 CB ILE A 21 8.010 1.275 -0.158 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.404 -0.059 0.217 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.513 1.144 -0.339 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.507 -1.056 -0.894 1.00 0.10 C ATOM 0 H ILE A 21 6.401 3.544 -0.238 1.00 0.13 H new ATOM 0 HA ILE A 21 7.550 1.830 1.871 1.00 0.11 H new ATOM 0 HB ILE A 21 7.611 1.611 -1.115 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.907 -0.449 1.102 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.356 0.081 0.482 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.724 0.391 -1.098 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.926 2.102 -0.654 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.968 0.845 0.605 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.059 -1.999 -0.580 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.981 -0.679 -1.771 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.556 -1.218 -1.142 1.00 0.10 H new ATOM 296 N THR A 22 9.090 3.723 2.192 1.00 0.13 N ATOM 297 CA THR A 22 10.199 4.615 2.351 1.00 0.14 C ATOM 298 C THR A 22 11.463 3.808 2.270 1.00 0.14 C ATOM 299 O THR A 22 11.610 2.815 2.955 1.00 0.18 O ATOM 300 CB THR A 22 10.161 5.361 3.680 1.00 0.16 C ATOM 301 OG1 THR A 22 8.813 5.743 3.987 1.00 0.20 O ATOM 302 CG2 THR A 22 11.042 6.590 3.595 1.00 0.17 C ATOM 0 H THR A 22 8.668 3.391 3.059 1.00 0.13 H new ATOM 0 HA THR A 22 10.152 5.365 1.561 1.00 0.14 H new ATOM 0 HB THR A 22 10.530 4.709 4.471 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.795 6.220 4.843 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.015 7.124 4.545 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.067 6.289 3.377 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.679 7.243 2.802 1.00 0.17 H new ATOM 310 N ALA A 23 12.372 4.205 1.437 1.00 0.12 N ATOM 311 CA ALA A 23 13.571 3.437 1.274 1.00 0.12 C ATOM 312 C ALA A 23 14.754 4.303 1.587 1.00 0.14 C ATOM 313 O ALA A 23 14.932 5.338 0.983 1.00 0.16 O ATOM 314 CB ALA A 23 13.639 2.908 -0.134 1.00 0.11 C ATOM 0 H ALA A 23 12.312 5.046 0.864 1.00 0.12 H new ATOM 0 HA ALA A 23 13.574 2.587 1.957 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.551 2.324 -0.259 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.773 2.275 -0.327 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.643 3.742 -0.836 1.00 0.11 H new ATOM 320 N VAL A 24 15.551 3.890 2.548 1.00 0.16 N ATOM 321 CA VAL A 24 16.647 4.722 3.018 1.00 0.18 C ATOM 322 C VAL A 24 17.749 4.874 1.966 1.00 0.20 C ATOM 323 O VAL A 24 18.619 5.736 2.089 1.00 0.25 O ATOM 324 CB VAL A 24 17.244 4.174 4.326 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.351 5.082 4.831 1.00 0.25 C ATOM 326 CG2 VAL A 24 16.152 4.026 5.367 1.00 0.23 C ATOM 0 H VAL A 24 15.465 2.990 3.019 1.00 0.16 H new ATOM 0 HA VAL A 24 16.226 5.709 3.209 1.00 0.18 H new ATOM 0 HB VAL A 24 17.678 3.193 4.132 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.760 4.677 5.757 1.00 0.25 H new ATOM 0 HG12 VAL A 24 19.141 5.144 4.082 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.948 6.078 5.017 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.580 3.638 6.291 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.697 4.998 5.558 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.392 3.336 5.001 1.00 0.23 H new ATOM 336 N ARG A 25 17.719 4.054 0.927 1.00 0.21 N ATOM 337 CA ARG A 25 18.709 4.164 -0.124 1.00 0.24 C ATOM 338 C ARG A 25 18.068 4.338 -1.495 1.00 0.23 C ATOM 339 O ARG A 25 17.060 3.703 -1.805 1.00 0.26 O ATOM 340 CB ARG A 25 19.622 2.961 -0.119 1.00 0.33 C ATOM 341 CG ARG A 25 20.481 2.920 1.117 1.00 0.40 C ATOM 342 CD ARG A 25 20.176 1.703 1.944 1.00 0.73 C ATOM 343 NE ARG A 25 21.043 1.602 3.119 1.00 0.80 N ATOM 344 CZ ARG A 25 21.729 0.507 3.450 1.00 1.41 C ATOM 345 NH1 ARG A 25 21.707 -0.562 2.663 1.00 2.18 N ATOM 346 NH2 ARG A 25 22.455 0.490 4.560 1.00 1.42 N ATOM 0 H ARG A 25 17.028 3.316 0.792 1.00 0.21 H new ATOM 0 HA ARG A 25 19.299 5.058 0.077 1.00 0.24 H new ATOM 0 HB2 ARG A 25 19.025 2.051 -0.178 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.258 2.983 -1.004 1.00 0.33 H new ATOM 0 HG2 ARG A 25 21.533 2.917 0.833 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.314 3.819 1.711 1.00 0.40 H new ATOM 0 HD2 ARG A 25 19.135 1.735 2.265 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.293 0.810 1.330 1.00 0.73 H new ATOM 0 HE ARG A 25 21.128 2.420 3.722 1.00 0.80 H new ATOM 0 HH11 ARG A 25 21.164 -0.549 1.800 1.00 2.18 H new ATOM 0 HH12 ARG A 25 22.234 -1.396 2.921 1.00 2.18 H new ATOM 0 HH21 ARG A 25 22.489 1.314 5.160 1.00 1.42 H new ATOM 0 HH22 ARG A 25 22.980 -0.347 4.813 1.00 1.42 H new ATOM 360 N ASP A 26 18.648 5.221 -2.303 1.00 0.23 N ATOM 361 CA ASP A 26 18.176 5.452 -3.659 1.00 0.25 C ATOM 362 C ASP A 26 18.669 4.340 -4.576 1.00 0.24 C ATOM 363 O ASP A 26 19.815 3.889 -4.474 1.00 0.32 O ATOM 364 CB ASP A 26 18.640 6.822 -4.174 1.00 0.31 C ATOM 365 CG ASP A 26 20.121 6.870 -4.502 1.00 0.78 C ATOM 366 OD1 ASP A 26 20.940 6.920 -3.560 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.471 6.845 -5.700 1.00 1.54 O ATOM 0 H ASP A 26 19.451 5.791 -2.037 1.00 0.23 H new ATOM 0 HA ASP A 26 17.086 5.448 -3.653 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.069 7.080 -5.066 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.417 7.580 -3.423 1.00 0.31 H new ATOM 372 N GLY A 27 17.793 3.888 -5.446 1.00 0.24 N ATOM 373 CA GLY A 27 18.103 2.793 -6.329 1.00 0.26 C ATOM 374 C GLY A 27 16.866 1.982 -6.620 1.00 0.21 C ATOM 375 O GLY A 27 15.837 2.536 -6.991 1.00 0.23 O ATOM 0 H GLY A 27 16.853 4.268 -5.559 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.521 3.176 -7.260 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.864 2.157 -5.876 1.00 0.26 H new ATOM 379 N ALA A 28 16.943 0.682 -6.419 1.00 0.19 N ATOM 380 CA ALA A 28 15.799 -0.184 -6.647 1.00 0.18 C ATOM 381 C ALA A 28 15.730 -1.276 -5.592 1.00 0.24 C ATOM 382 O ALA A 28 16.761 -1.765 -5.125 1.00 0.45 O ATOM 383 CB ALA A 28 15.856 -0.789 -8.040 1.00 0.21 C ATOM 0 H ALA A 28 17.783 0.201 -6.099 1.00 0.19 H new ATOM 0 HA ALA A 28 14.895 0.420 -6.571 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.991 -1.434 -8.192 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.849 0.008 -8.783 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.769 -1.375 -8.145 1.00 0.21 H new ATOM 389 N GLY A 29 14.519 -1.650 -5.220 1.00 0.15 N ATOM 390 CA GLY A 29 14.323 -2.689 -4.245 1.00 0.19 C ATOM 391 C GLY A 29 13.168 -3.571 -4.637 1.00 0.17 C ATOM 392 O GLY A 29 12.500 -3.313 -5.637 1.00 0.21 O ATOM 0 H GLY A 29 13.658 -1.243 -5.585 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.230 -3.287 -4.155 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.134 -2.247 -3.267 1.00 0.19 H new ATOM 396 N SER A 30 12.912 -4.597 -3.856 1.00 0.15 N ATOM 397 CA SER A 30 11.847 -5.528 -4.184 1.00 0.15 C ATOM 398 C SER A 30 10.859 -5.660 -3.034 1.00 0.13 C ATOM 399 O SER A 30 11.247 -5.728 -1.865 1.00 0.14 O ATOM 400 CB SER A 30 12.431 -6.886 -4.563 1.00 0.20 C ATOM 401 OG SER A 30 13.357 -7.339 -3.589 1.00 0.23 O ATOM 0 H SER A 30 13.419 -4.810 -2.997 1.00 0.15 H new ATOM 0 HA SER A 30 11.301 -5.136 -5.042 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.626 -7.614 -4.669 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.925 -6.814 -5.532 1.00 0.20 H new ATOM 0 HG SER A 30 12.874 -7.621 -2.784 1.00 0.23 H new ATOM 407 N TYR A 31 9.578 -5.688 -3.380 1.00 0.13 N ATOM 408 CA TYR A 31 8.503 -5.695 -2.399 1.00 0.11 C ATOM 409 C TYR A 31 7.220 -6.289 -2.990 1.00 0.13 C ATOM 410 O TYR A 31 7.111 -6.479 -4.203 1.00 0.18 O ATOM 411 CB TYR A 31 8.267 -4.279 -1.872 1.00 0.10 C ATOM 412 CG TYR A 31 8.893 -3.171 -2.702 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.297 -2.764 -3.882 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.059 -2.508 -2.285 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.831 -1.742 -4.633 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.593 -1.474 -3.036 1.00 0.09 C ATOM 417 CZ TYR A 31 9.975 -1.098 -4.207 1.00 0.11 C ATOM 418 OH TYR A 31 10.498 -0.066 -4.949 1.00 0.13 O ATOM 0 H TYR A 31 9.257 -5.706 -4.348 1.00 0.13 H new ATOM 0 HA TYR A 31 8.799 -6.330 -1.563 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.193 -4.104 -1.812 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.657 -4.216 -0.856 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.397 -3.257 -4.220 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.545 -2.808 -1.368 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.355 -1.444 -5.556 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.487 -0.967 -2.705 1.00 0.09 H new ATOM 0 HH TYR A 31 11.455 -0.218 -5.092 1.00 0.13 H new ATOM 428 N LYS A 32 6.264 -6.596 -2.119 1.00 0.13 N ATOM 429 CA LYS A 32 5.019 -7.262 -2.508 1.00 0.14 C ATOM 430 C LYS A 32 3.809 -6.617 -1.834 1.00 0.14 C ATOM 431 O LYS A 32 3.628 -6.734 -0.621 1.00 0.13 O ATOM 432 CB LYS A 32 5.075 -8.744 -2.120 1.00 0.16 C ATOM 433 CG LYS A 32 5.766 -8.995 -0.801 1.00 0.17 C ATOM 434 CD LYS A 32 7.201 -9.459 -0.981 1.00 0.25 C ATOM 435 CE LYS A 32 7.261 -10.885 -1.493 1.00 0.40 C ATOM 436 NZ LYS A 32 8.656 -11.382 -1.577 1.00 1.26 N ATOM 0 H LYS A 32 6.328 -6.391 -1.122 1.00 0.13 H new ATOM 0 HA LYS A 32 4.912 -7.161 -3.588 1.00 0.14 H new ATOM 0 HB2 LYS A 32 4.060 -9.137 -2.070 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.593 -9.297 -2.904 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.754 -8.081 -0.207 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.211 -9.747 -0.240 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.714 -8.798 -1.680 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.729 -9.390 -0.030 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.684 -11.533 -0.833 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.797 -10.937 -2.478 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.907 -11.545 -2.573 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 9.301 -10.676 -1.168 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 8.739 -12.274 -1.049 1.00 1.26 H new ATOM 450 N LEU A 33 2.967 -5.965 -2.619 1.00 0.17 N ATOM 451 CA LEU A 33 1.793 -5.297 -2.076 1.00 0.17 C ATOM 452 C LEU A 33 0.528 -6.074 -2.419 1.00 0.19 C ATOM 453 O LEU A 33 0.291 -6.439 -3.572 1.00 0.27 O ATOM 454 CB LEU A 33 1.707 -3.848 -2.590 1.00 0.22 C ATOM 455 CG LEU A 33 0.536 -2.992 -2.064 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.723 -3.258 -2.861 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.272 -3.248 -0.580 1.00 0.49 C ATOM 0 H LEU A 33 3.073 -5.883 -3.630 1.00 0.17 H new ATOM 0 HA LEU A 33 1.886 -5.265 -0.990 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.639 -3.342 -2.337 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.645 -3.876 -3.678 1.00 0.22 H new ATOM 0 HG LEU A 33 0.822 -1.947 -2.184 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.536 -2.644 -2.473 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.550 -3.011 -3.908 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -0.992 -4.311 -2.776 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.559 -2.627 -0.246 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.023 -4.299 -0.431 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.164 -3.001 -0.004 1.00 0.49 H new ATOM 469 N ALA A 34 -0.270 -6.330 -1.400 1.00 0.16 N ATOM 470 CA ALA A 34 -1.580 -6.931 -1.584 1.00 0.19 C ATOM 471 C ALA A 34 -2.655 -6.059 -0.949 1.00 0.18 C ATOM 472 O ALA A 34 -2.502 -5.606 0.183 1.00 0.25 O ATOM 473 CB ALA A 34 -1.618 -8.331 -0.992 1.00 0.25 C ATOM 0 H ALA A 34 -0.033 -6.130 -0.428 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.776 -7.006 -2.654 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.608 -8.762 -1.141 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.872 -8.955 -1.485 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.401 -8.281 0.075 1.00 0.25 H new ATOM 479 N VAL A 35 -3.729 -5.807 -1.680 1.00 0.16 N ATOM 480 CA VAL A 35 -4.842 -5.033 -1.152 1.00 0.14 C ATOM 481 C VAL A 35 -6.068 -5.919 -1.016 1.00 0.16 C ATOM 482 O VAL A 35 -6.366 -6.738 -1.890 1.00 0.23 O ATOM 483 CB VAL A 35 -5.189 -3.801 -2.026 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.289 -2.972 -1.383 1.00 0.13 C ATOM 485 CG2 VAL A 35 -3.961 -2.942 -2.261 1.00 0.21 C ATOM 0 H VAL A 35 -3.854 -6.127 -2.640 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.532 -4.659 -0.176 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.547 -4.167 -2.988 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.514 -2.113 -2.015 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.184 -3.583 -1.268 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.958 -2.625 -0.404 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.230 -2.084 -2.877 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.572 -2.594 -1.304 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.198 -3.530 -2.771 1.00 0.21 H new ATOM 495 N ASP A 36 -6.757 -5.752 0.090 1.00 0.19 N ATOM 496 CA ASP A 36 -7.940 -6.522 0.394 1.00 0.24 C ATOM 497 C ASP A 36 -9.150 -5.609 0.452 1.00 0.25 C ATOM 498 O ASP A 36 -9.255 -4.757 1.331 1.00 0.31 O ATOM 499 CB ASP A 36 -7.757 -7.233 1.734 1.00 0.33 C ATOM 500 CG ASP A 36 -7.159 -8.616 1.584 1.00 1.05 C ATOM 501 OD1 ASP A 36 -5.969 -8.717 1.207 1.00 1.52 O ATOM 502 OD2 ASP A 36 -7.865 -9.610 1.840 1.00 1.67 O ATOM 0 H ASP A 36 -6.509 -5.072 0.809 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.097 -7.265 -0.388 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -7.113 -6.631 2.375 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -8.722 -7.311 2.234 1.00 0.33 H new ATOM 507 N LYS A 37 -10.061 -5.783 -0.484 1.00 0.28 N ATOM 508 CA LYS A 37 -11.264 -4.988 -0.519 1.00 0.33 C ATOM 509 C LYS A 37 -12.457 -5.834 -0.117 1.00 0.46 C ATOM 510 O LYS A 37 -12.565 -6.990 -0.513 1.00 0.63 O ATOM 511 CB LYS A 37 -11.449 -4.385 -1.905 1.00 0.42 C ATOM 512 CG LYS A 37 -12.898 -4.262 -2.318 1.00 0.95 C ATOM 513 CD LYS A 37 -13.050 -3.572 -3.665 1.00 0.77 C ATOM 514 CE LYS A 37 -14.516 -3.377 -4.024 1.00 1.13 C ATOM 515 NZ LYS A 37 -14.690 -2.712 -5.342 1.00 1.34 N ATOM 0 H LYS A 37 -9.987 -6.472 -1.232 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.179 -4.169 0.195 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.987 -3.398 -1.928 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.922 -5.001 -2.634 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.347 -5.254 -2.366 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.445 -3.701 -1.560 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -12.548 -2.605 -3.639 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.560 -4.165 -4.437 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -15.016 -4.345 -4.039 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -15.001 -2.780 -3.251 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -15.195 -1.812 -5.213 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.757 -2.528 -5.764 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -15.240 -3.330 -5.973 1.00 1.34 H new ATOM 622 N ILE A 46 -6.502 -8.087 -4.610 1.00 0.38 N ATOM 623 CA ILE A 46 -5.379 -7.379 -5.198 1.00 0.33 C ATOM 624 C ILE A 46 -4.075 -7.953 -4.657 1.00 0.30 C ATOM 625 O ILE A 46 -3.863 -7.960 -3.446 1.00 0.34 O ATOM 626 CB ILE A 46 -5.417 -5.878 -4.877 1.00 0.35 C ATOM 627 CG1 ILE A 46 -6.610 -5.204 -5.557 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.117 -5.227 -5.305 1.00 0.45 C ATOM 629 CD1 ILE A 46 -7.897 -5.265 -4.759 1.00 0.40 C ATOM 0 HA ILE A 46 -5.443 -7.505 -6.279 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.535 -5.754 -3.800 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -6.363 -4.160 -5.747 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -6.774 -5.674 -6.527 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.150 -4.162 -5.075 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.286 -5.688 -4.771 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -3.978 -5.362 -6.378 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -8.692 -4.765 -5.312 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.172 -6.306 -4.591 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.754 -4.768 -3.799 1.00 0.40 H new ATOM 641 N LYS A 47 -3.223 -8.462 -5.529 1.00 0.31 N ATOM 642 CA LYS A 47 -1.918 -8.952 -5.109 1.00 0.38 C ATOM 643 C LYS A 47 -0.888 -8.727 -6.209 1.00 0.41 C ATOM 644 O LYS A 47 -0.971 -9.327 -7.280 1.00 0.51 O ATOM 645 CB LYS A 47 -2.009 -10.425 -4.726 1.00 0.51 C ATOM 646 CG LYS A 47 -0.847 -10.929 -3.880 1.00 0.91 C ATOM 647 CD LYS A 47 0.359 -11.304 -4.723 1.00 1.56 C ATOM 648 CE LYS A 47 1.514 -11.764 -3.851 1.00 2.17 C ATOM 649 NZ LYS A 47 2.640 -12.302 -4.657 1.00 2.74 N ATOM 0 H LYS A 47 -3.408 -8.548 -6.528 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.594 -8.394 -4.230 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.938 -10.589 -4.180 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -2.065 -11.022 -5.636 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -0.561 -10.159 -3.163 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -1.169 -11.797 -3.304 1.00 0.91 H new ATOM 0 HD2 LYS A 47 0.087 -12.097 -5.420 1.00 1.56 H new ATOM 0 HD3 LYS A 47 0.669 -10.447 -5.321 1.00 1.56 H new ATOM 0 HE2 LYS A 47 1.867 -10.928 -3.247 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.164 -12.531 -3.160 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 3.478 -12.414 -4.051 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 2.373 -13.226 -5.053 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 2.858 -11.643 -5.431 1.00 2.74 H new ATOM 663 N GLN A 48 0.074 -7.854 -5.945 1.00 0.40 N ATOM 664 CA GLN A 48 1.109 -7.526 -6.919 1.00 0.47 C ATOM 665 C GLN A 48 2.484 -7.536 -6.257 1.00 0.50 C ATOM 666 O GLN A 48 2.713 -6.832 -5.273 1.00 0.78 O ATOM 667 CB GLN A 48 0.829 -6.156 -7.542 1.00 0.52 C ATOM 668 CG GLN A 48 -0.497 -6.093 -8.286 1.00 0.55 C ATOM 669 CD GLN A 48 -0.833 -4.701 -8.786 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.052 -3.902 -9.092 1.00 1.63 O ATOM 671 NE2 GLN A 48 -2.118 -4.402 -8.870 1.00 1.37 N ATOM 0 H GLN A 48 0.160 -7.357 -5.059 1.00 0.40 H new ATOM 0 HA GLN A 48 1.099 -8.279 -7.707 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.834 -5.400 -6.757 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.636 -5.906 -8.230 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.465 -6.779 -9.133 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.294 -6.438 -7.627 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.821 -5.093 -8.607 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.407 -3.480 -9.198 1.00 1.37 H new ATOM 680 N ALA A 49 3.393 -8.337 -6.792 1.00 0.32 N ATOM 681 CA ALA A 49 4.719 -8.476 -6.211 1.00 0.31 C ATOM 682 C ALA A 49 5.803 -8.358 -7.271 1.00 0.31 C ATOM 683 O ALA A 49 5.621 -8.784 -8.415 1.00 0.39 O ATOM 684 CB ALA A 49 4.843 -9.801 -5.480 1.00 0.33 C ATOM 0 H ALA A 49 3.236 -8.901 -7.628 1.00 0.32 H new ATOM 0 HA ALA A 49 4.855 -7.664 -5.497 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.841 -9.888 -5.052 1.00 0.33 H new ATOM 0 HB2 ALA A 49 4.101 -9.848 -4.683 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.676 -10.620 -6.180 1.00 0.33 H new ATOM 690 N GLY A 50 6.929 -7.782 -6.880 1.00 0.25 N ATOM 691 CA GLY A 50 8.037 -7.616 -7.791 1.00 0.26 C ATOM 692 C GLY A 50 9.071 -6.664 -7.244 1.00 0.23 C ATOM 693 O GLY A 50 9.381 -6.690 -6.050 1.00 0.25 O ATOM 0 H GLY A 50 7.094 -7.424 -5.939 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.499 -8.584 -7.982 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.669 -7.244 -8.747 1.00 0.26 H new ATOM 697 N ALA A 51 9.595 -5.816 -8.107 1.00 0.23 N ATOM 698 CA ALA A 51 10.606 -4.862 -7.723 1.00 0.21 C ATOM 699 C ALA A 51 10.354 -3.530 -8.410 1.00 0.23 C ATOM 700 O ALA A 51 9.771 -3.483 -9.494 1.00 0.38 O ATOM 701 CB ALA A 51 11.985 -5.391 -8.065 1.00 0.23 C ATOM 0 H ALA A 51 9.330 -5.772 -9.091 1.00 0.23 H new ATOM 0 HA ALA A 51 10.557 -4.709 -6.645 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.738 -4.661 -7.770 1.00 0.23 H new ATOM 0 HB2 ALA A 51 12.158 -6.326 -7.533 1.00 0.23 H new ATOM 0 HB3 ALA A 51 12.051 -5.567 -9.139 1.00 0.23 H new ATOM 707 N PHE A 52 10.793 -2.459 -7.783 1.00 0.15 N ATOM 708 CA PHE A 52 10.600 -1.120 -8.314 1.00 0.16 C ATOM 709 C PHE A 52 11.733 -0.219 -7.827 1.00 0.14 C ATOM 710 O PHE A 52 12.566 -0.641 -7.022 1.00 0.16 O ATOM 711 CB PHE A 52 9.220 -0.591 -7.889 1.00 0.17 C ATOM 712 CG PHE A 52 8.868 0.779 -8.406 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.732 1.017 -9.763 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.681 1.829 -7.524 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.412 2.279 -10.230 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.365 3.092 -7.982 1.00 0.18 C ATOM 717 CZ PHE A 52 8.229 3.318 -9.337 1.00 0.23 C ATOM 0 H PHE A 52 11.292 -2.488 -6.894 1.00 0.15 H new ATOM 0 HA PHE A 52 10.626 -1.134 -9.404 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.460 -1.295 -8.227 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.176 -0.573 -6.800 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.877 0.209 -10.464 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.784 1.658 -6.463 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.305 2.452 -11.291 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.224 3.902 -7.282 1.00 0.18 H new ATOM 0 HZ PHE A 52 7.980 4.305 -9.699 1.00 0.23 H new ATOM 727 N THR A 53 11.774 1.004 -8.321 1.00 0.15 N ATOM 728 CA THR A 53 12.827 1.936 -7.970 1.00 0.16 C ATOM 729 C THR A 53 12.446 2.744 -6.740 1.00 0.16 C ATOM 730 O THR A 53 11.326 3.246 -6.638 1.00 0.27 O ATOM 731 CB THR A 53 13.128 2.886 -9.136 1.00 0.21 C ATOM 732 OG1 THR A 53 12.113 2.756 -10.145 1.00 0.43 O ATOM 733 CG2 THR A 53 14.496 2.594 -9.733 1.00 0.40 C ATOM 0 H THR A 53 11.083 1.377 -8.972 1.00 0.15 H new ATOM 0 HA THR A 53 13.722 1.354 -7.749 1.00 0.16 H new ATOM 0 HB THR A 53 13.131 3.908 -8.757 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.309 3.366 -10.887 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.687 3.280 -10.558 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.262 2.724 -8.968 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.521 1.568 -10.101 1.00 0.40 H new ATOM 741 N ALA A 54 13.375 2.874 -5.810 1.00 0.13 N ATOM 742 CA ALA A 54 13.099 3.568 -4.571 1.00 0.13 C ATOM 743 C ALA A 54 14.167 4.616 -4.282 1.00 0.14 C ATOM 744 O ALA A 54 15.349 4.388 -4.524 1.00 0.23 O ATOM 745 CB ALA A 54 12.984 2.571 -3.422 1.00 0.15 C ATOM 0 H ALA A 54 14.324 2.508 -5.891 1.00 0.13 H new ATOM 0 HA ALA A 54 12.146 4.088 -4.672 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.776 3.106 -2.495 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.173 1.872 -3.627 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.920 2.022 -3.322 1.00 0.15 H new ATOM 751 N ILE A 55 13.744 5.771 -3.785 1.00 0.17 N ATOM 752 CA ILE A 55 14.665 6.855 -3.462 1.00 0.18 C ATOM 753 C ILE A 55 14.930 6.907 -1.974 1.00 0.16 C ATOM 754 O ILE A 55 14.029 6.695 -1.163 1.00 0.14 O ATOM 755 CB ILE A 55 14.132 8.211 -3.940 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.082 8.210 -5.461 1.00 0.26 C ATOM 757 CG2 ILE A 55 14.990 9.352 -3.420 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.057 9.157 -6.119 1.00 0.33 C ATOM 0 H ILE A 55 12.764 5.983 -3.596 1.00 0.17 H new ATOM 0 HA ILE A 55 15.599 6.651 -3.986 1.00 0.18 H new ATOM 0 HB ILE A 55 13.128 8.364 -3.545 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.279 7.199 -5.818 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.072 8.469 -5.779 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.588 10.301 -3.775 1.00 0.23 H new ATOM 0 HG22 ILE A 55 14.987 9.342 -2.330 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.011 9.233 -3.781 1.00 0.23 H new ATOM 0 HD11 ILE A 55 14.953 9.091 -7.202 1.00 0.33 H new ATOM 0 HD12 ILE A 55 14.848 10.177 -5.796 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.074 8.887 -5.835 1.00 0.33 H new ATOM 770 N ALA A 56 16.180 7.188 -1.637 1.00 0.17 N ATOM 771 CA ALA A 56 16.614 7.254 -0.250 1.00 0.18 C ATOM 772 C ALA A 56 15.829 8.289 0.531 1.00 0.17 C ATOM 773 O ALA A 56 15.760 9.453 0.138 1.00 0.20 O ATOM 774 CB ALA A 56 18.089 7.562 -0.149 1.00 0.22 C ATOM 0 H ALA A 56 16.919 7.376 -2.314 1.00 0.17 H new ATOM 0 HA ALA A 56 16.427 6.272 0.183 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.381 7.604 0.900 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.659 6.782 -0.653 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.293 8.523 -0.621 1.00 0.22 H new ATOM 780 N GLU A 57 15.232 7.838 1.628 1.00 0.16 N ATOM 781 CA GLU A 57 14.458 8.695 2.510 1.00 0.18 C ATOM 782 C GLU A 57 13.294 9.318 1.754 1.00 0.19 C ATOM 783 O GLU A 57 12.825 10.407 2.078 1.00 0.28 O ATOM 784 CB GLU A 57 15.356 9.754 3.134 1.00 0.23 C ATOM 785 CG GLU A 57 16.487 9.154 3.957 1.00 0.27 C ATOM 786 CD GLU A 57 17.440 10.204 4.483 1.00 0.74 C ATOM 787 OE1 GLU A 57 17.128 10.830 5.515 1.00 0.75 O ATOM 788 OE2 GLU A 57 18.505 10.416 3.862 1.00 1.33 O ATOM 0 H GLU A 57 15.273 6.864 1.929 1.00 0.16 H new ATOM 0 HA GLU A 57 14.041 8.094 3.319 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.777 10.378 2.346 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.756 10.405 3.769 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.067 8.597 4.794 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.039 8.441 3.345 1.00 0.27 H new ATOM 795 N GLN A 58 12.846 8.598 0.740 1.00 0.16 N ATOM 796 CA GLN A 58 11.703 8.971 -0.042 1.00 0.18 C ATOM 797 C GLN A 58 10.639 7.926 0.102 1.00 0.17 C ATOM 798 O GLN A 58 10.921 6.761 0.379 1.00 0.19 O ATOM 799 CB GLN A 58 12.053 9.118 -1.498 1.00 0.20 C ATOM 800 CG GLN A 58 12.008 10.541 -1.953 1.00 0.28 C ATOM 801 CD GLN A 58 10.698 11.250 -1.655 1.00 0.70 C ATOM 802 OE1 GLN A 58 9.629 10.640 -1.621 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.776 12.551 -1.436 1.00 1.48 N ATOM 0 H GLN A 58 13.281 7.725 0.440 1.00 0.16 H new ATOM 0 HA GLN A 58 11.345 9.934 0.323 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.051 8.715 -1.672 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.361 8.526 -2.097 1.00 0.20 H new ATOM 0 HG2 GLN A 58 12.821 11.089 -1.476 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.189 10.573 -3.027 1.00 0.28 H new ATOM 0 HE21 GLN A 58 11.680 13.021 -1.473 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.932 13.085 -1.230 1.00 1.48 H new ATOM 812 N ARG A 59 9.431 8.355 -0.088 1.00 0.16 N ATOM 813 CA ARG A 59 8.293 7.464 -0.043 1.00 0.17 C ATOM 814 C ARG A 59 8.006 6.923 -1.433 1.00 0.17 C ATOM 815 O ARG A 59 7.798 7.684 -2.379 1.00 0.22 O ATOM 816 CB ARG A 59 7.049 8.168 0.492 1.00 0.24 C ATOM 817 CG ARG A 59 6.869 8.081 2.001 1.00 0.30 C ATOM 818 CD ARG A 59 8.041 8.663 2.752 1.00 0.44 C ATOM 819 NE ARG A 59 7.816 8.665 4.195 1.00 1.37 N ATOM 820 CZ ARG A 59 8.719 9.059 5.091 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.882 9.563 4.694 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.449 8.968 6.386 1.00 2.72 N ATOM 0 H ARG A 59 9.196 9.329 -0.279 1.00 0.16 H new ATOM 0 HA ARG A 59 8.539 6.645 0.633 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.091 9.219 0.205 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.170 7.740 0.010 1.00 0.24 H new ATOM 0 HG2 ARG A 59 5.959 8.608 2.287 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.737 7.038 2.289 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.939 8.088 2.525 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.221 9.683 2.411 1.00 0.44 H new ATOM 0 HE ARG A 59 6.910 8.345 4.538 1.00 1.37 H new ATOM 0 HH11 ARG A 59 10.087 9.650 3.699 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.570 9.863 5.385 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.551 8.597 6.695 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.140 9.269 7.073 1.00 2.72 H new ATOM 836 N VAL A 60 8.003 5.616 -1.551 1.00 0.13 N ATOM 837 CA VAL A 60 7.729 4.961 -2.806 1.00 0.14 C ATOM 838 C VAL A 60 6.443 4.187 -2.676 1.00 0.13 C ATOM 839 O VAL A 60 6.388 3.176 -1.992 1.00 0.12 O ATOM 840 CB VAL A 60 8.890 4.020 -3.198 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.499 3.111 -4.352 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.101 4.849 -3.568 1.00 0.15 C ATOM 0 H VAL A 60 8.191 4.977 -0.778 1.00 0.13 H new ATOM 0 HA VAL A 60 7.631 5.709 -3.593 1.00 0.14 H new ATOM 0 HB VAL A 60 9.127 3.384 -2.345 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.337 2.461 -4.604 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.643 2.502 -4.062 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.236 3.717 -5.219 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.923 4.189 -3.845 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.855 5.496 -4.410 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.398 5.460 -2.715 1.00 0.15 H new ATOM 852 N THR A 61 5.407 4.648 -3.333 1.00 0.15 N ATOM 853 CA THR A 61 4.120 4.047 -3.131 1.00 0.15 C ATOM 854 C THR A 61 3.869 2.959 -4.153 1.00 0.16 C ATOM 855 O THR A 61 3.989 3.164 -5.364 1.00 0.19 O ATOM 856 CB THR A 61 2.990 5.079 -3.134 1.00 0.17 C ATOM 857 OG1 THR A 61 3.453 6.318 -2.578 1.00 0.19 O ATOM 858 CG2 THR A 61 1.838 4.551 -2.312 1.00 0.19 C ATOM 0 H THR A 61 5.431 5.421 -3.998 1.00 0.15 H new ATOM 0 HA THR A 61 4.129 3.593 -2.140 1.00 0.15 H new ATOM 0 HB THR A 61 2.662 5.255 -4.159 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.724 6.973 -2.586 1.00 0.19 H new ATOM 0 HG21 THR A 61 1.028 5.281 -2.309 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.482 3.616 -2.744 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.171 4.375 -1.289 1.00 0.19 H new ATOM 866 N VAL A 62 3.525 1.801 -3.638 1.00 0.15 N ATOM 867 CA VAL A 62 3.541 0.590 -4.406 1.00 0.15 C ATOM 868 C VAL A 62 2.180 -0.105 -4.420 1.00 0.15 C ATOM 869 O VAL A 62 1.504 -0.196 -3.396 1.00 0.16 O ATOM 870 CB VAL A 62 4.653 -0.336 -3.846 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.385 -1.814 -4.102 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.005 0.075 -4.417 1.00 0.16 C ATOM 0 H VAL A 62 3.226 1.678 -2.671 1.00 0.15 H new ATOM 0 HA VAL A 62 3.758 0.833 -5.446 1.00 0.15 H new ATOM 0 HB VAL A 62 4.660 -0.212 -2.763 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.199 -2.409 -3.686 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.447 -2.101 -3.628 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.318 -1.991 -5.175 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.782 -0.579 -4.020 1.00 0.16 H new ATOM 0 HG22 VAL A 62 5.981 -0.008 -5.504 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.220 1.106 -4.136 1.00 0.16 H new ATOM 882 N GLY A 63 1.785 -0.571 -5.602 1.00 0.18 N ATOM 883 CA GLY A 63 0.530 -1.280 -5.756 1.00 0.21 C ATOM 884 C GLY A 63 -0.616 -0.349 -6.059 1.00 0.20 C ATOM 885 O GLY A 63 -1.508 -0.175 -5.240 1.00 0.28 O ATOM 0 H GLY A 63 2.320 -0.467 -6.464 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.624 -2.011 -6.559 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.314 -1.835 -4.843 1.00 0.21 H new ATOM 889 N ASN A 64 -0.595 0.250 -7.239 1.00 0.33 N ATOM 890 CA ASN A 64 -1.638 1.176 -7.636 1.00 0.40 C ATOM 891 C ASN A 64 -2.880 0.412 -8.053 1.00 0.37 C ATOM 892 O ASN A 64 -2.914 -0.211 -9.117 1.00 0.52 O ATOM 893 CB ASN A 64 -1.147 2.060 -8.791 1.00 0.67 C ATOM 894 CG ASN A 64 -2.133 3.150 -9.184 1.00 1.31 C ATOM 895 OD1 ASN A 64 -3.349 2.996 -9.070 1.00 2.17 O ATOM 896 ND2 ASN A 64 -1.608 4.268 -9.649 1.00 1.98 N ATOM 0 H ASN A 64 0.135 0.110 -7.938 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.886 1.814 -6.788 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -0.201 2.522 -8.508 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.947 1.432 -9.659 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -2.215 5.039 -9.927 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -0.595 4.361 -9.730 1.00 1.98 H new ATOM 903 N VAL A 65 -3.891 0.459 -7.208 1.00 0.25 N ATOM 904 CA VAL A 65 -5.180 -0.125 -7.530 1.00 0.33 C ATOM 905 C VAL A 65 -6.288 0.856 -7.168 1.00 0.27 C ATOM 906 O VAL A 65 -6.215 1.534 -6.144 1.00 0.35 O ATOM 907 CB VAL A 65 -5.392 -1.476 -6.807 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.260 -2.433 -7.142 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.501 -1.291 -5.299 1.00 1.10 C ATOM 0 H VAL A 65 -3.845 0.898 -6.288 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.208 -0.325 -8.601 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.333 -1.900 -7.158 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.420 -3.380 -6.627 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -4.235 -2.604 -8.218 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.312 -2.002 -6.821 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.649 -2.260 -4.823 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.585 -0.838 -4.921 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.347 -0.642 -5.072 1.00 1.10 H new ATOM 919 N VAL A 66 -7.294 0.962 -8.017 1.00 0.25 N ATOM 920 CA VAL A 66 -8.354 1.927 -7.789 1.00 0.23 C ATOM 921 C VAL A 66 -9.678 1.239 -7.506 1.00 0.24 C ATOM 922 O VAL A 66 -10.152 0.414 -8.288 1.00 0.27 O ATOM 923 CB VAL A 66 -8.514 2.900 -8.975 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.621 3.906 -8.702 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.203 3.620 -9.246 1.00 0.29 C ATOM 0 H VAL A 66 -7.399 0.399 -8.861 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.063 2.505 -6.912 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.787 2.322 -9.858 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.716 4.582 -9.552 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.563 3.379 -8.551 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.379 4.480 -7.807 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.330 4.304 -10.085 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.908 4.183 -8.361 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.430 2.890 -9.486 1.00 0.29 H new ATOM 935 N LEU A 67 -10.252 1.579 -6.369 1.00 0.22 N ATOM 936 CA LEU A 67 -11.535 1.050 -5.951 1.00 0.23 C ATOM 937 C LEU A 67 -12.579 2.151 -6.074 1.00 0.24 C ATOM 938 O LEU A 67 -12.231 3.331 -6.170 1.00 0.26 O ATOM 939 CB LEU A 67 -11.493 0.582 -4.490 1.00 0.21 C ATOM 940 CG LEU A 67 -10.319 -0.311 -4.050 1.00 0.19 C ATOM 941 CD1 LEU A 67 -10.123 -1.479 -5.006 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.026 0.485 -3.890 1.00 0.18 C ATOM 0 H LEU A 67 -9.839 2.234 -5.705 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.782 0.198 -6.585 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.494 1.468 -3.855 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.418 0.042 -4.286 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.577 -0.715 -3.071 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.286 -2.090 -4.667 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -11.029 -2.085 -5.031 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.913 -1.099 -6.006 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.223 -0.183 -3.579 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.764 0.948 -4.841 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.166 1.259 -3.136 1.00 0.18 H new ATOM 954 N ASP A 68 -13.847 1.783 -6.092 1.00 0.26 N ATOM 955 CA ASP A 68 -14.914 2.769 -5.991 1.00 0.28 C ATOM 956 C ASP A 68 -14.994 3.255 -4.546 1.00 0.28 C ATOM 957 O ASP A 68 -15.057 2.456 -3.622 1.00 0.30 O ATOM 958 CB ASP A 68 -16.253 2.180 -6.457 1.00 0.32 C ATOM 959 CG ASP A 68 -16.705 0.985 -5.640 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.030 -0.069 -5.685 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.758 1.078 -4.974 1.00 1.25 O ATOM 0 H ASP A 68 -14.164 0.817 -6.175 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.696 3.614 -6.644 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -17.018 2.954 -6.408 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.166 1.884 -7.502 1.00 0.32 H new ATOM 966 N TYR A 69 -14.976 4.563 -4.350 1.00 0.28 N ATOM 967 CA TYR A 69 -14.846 5.117 -3.007 1.00 0.27 C ATOM 968 C TYR A 69 -16.094 4.891 -2.165 1.00 0.27 C ATOM 969 O TYR A 69 -17.202 5.264 -2.553 1.00 0.30 O ATOM 970 CB TYR A 69 -14.525 6.609 -3.061 1.00 0.29 C ATOM 971 CG TYR A 69 -14.750 7.312 -1.745 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.072 6.915 -0.602 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.649 8.365 -1.649 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.291 7.549 0.610 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.870 9.002 -0.448 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.191 8.587 0.674 1.00 0.30 C ATOM 977 OH TYR A 69 -15.423 9.202 1.874 1.00 0.33 O ATOM 0 H TYR A 69 -15.049 5.257 -5.094 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.021 4.587 -2.531 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.486 6.740 -3.363 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.141 7.079 -3.827 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.364 6.101 -0.658 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.183 8.690 -2.529 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.760 7.231 1.496 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.571 9.821 -0.388 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.083 9.916 1.753 1.00 0.33 H new ATOM 987 N SER A 70 -15.910 4.260 -1.016 1.00 0.25 N ATOM 988 CA SER A 70 -16.966 4.127 -0.051 1.00 0.27 C ATOM 989 C SER A 70 -16.406 4.228 1.366 1.00 0.29 C ATOM 990 O SER A 70 -15.533 3.455 1.752 1.00 0.28 O ATOM 991 CB SER A 70 -17.694 2.820 -0.276 1.00 0.30 C ATOM 992 OG SER A 70 -18.642 2.941 -1.325 1.00 0.99 O ATOM 0 H SER A 70 -15.027 3.832 -0.737 1.00 0.25 H new ATOM 0 HA SER A 70 -17.681 4.940 -0.175 1.00 0.27 H new ATOM 0 HB2 SER A 70 -16.976 2.037 -0.518 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.198 2.518 0.642 1.00 0.30 H new ATOM 0 HG SER A 70 -18.452 3.749 -1.846 1.00 0.99 H new ATOM 998 N SER A 71 -16.898 5.199 2.125 1.00 0.36 N ATOM 999 CA SER A 71 -16.436 5.418 3.492 1.00 0.42 C ATOM 1000 C SER A 71 -16.842 4.260 4.397 1.00 0.43 C ATOM 1001 O SER A 71 -16.197 3.985 5.407 1.00 0.50 O ATOM 1002 CB SER A 71 -17.000 6.721 4.031 1.00 0.50 C ATOM 1003 OG SER A 71 -18.418 6.745 3.939 1.00 0.54 O ATOM 0 H SER A 71 -17.620 5.850 1.817 1.00 0.36 H new ATOM 0 HA SER A 71 -15.348 5.477 3.479 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.698 6.848 5.071 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.583 7.559 3.473 1.00 0.50 H new ATOM 0 HG SER A 71 -18.755 7.594 4.294 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.919 3.589 4.017 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.427 2.454 4.769 1.00 0.43 C ATOM 1011 C ALA A 72 -17.900 1.147 4.194 1.00 0.40 C ATOM 1012 O ALA A 72 -18.405 0.067 4.503 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.939 2.461 4.753 1.00 0.47 C ATOM 0 H ALA A 72 -18.462 3.815 3.184 1.00 0.39 H new ATOM 0 HA ALA A 72 -18.081 2.537 5.799 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.313 1.607 5.319 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.303 3.383 5.205 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.292 2.397 3.724 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.889 1.251 3.350 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.303 0.079 2.724 1.00 0.30 C ATOM 1021 C ASN A 73 -15.064 -0.358 3.482 1.00 0.33 C ATOM 1022 O ASN A 73 -14.419 0.448 4.153 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.925 0.360 1.277 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.329 -0.772 0.352 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -15.571 -1.716 0.140 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -17.527 -0.688 -0.207 1.00 0.95 N ATOM 0 H ASN A 73 -16.457 2.135 3.082 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.050 -0.715 2.747 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.404 1.283 0.950 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.849 0.518 1.208 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.848 -1.423 -0.838 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -18.128 0.111 -0.007 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.732 -1.631 3.379 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.524 -2.139 3.987 1.00 0.35 C ATOM 1035 C ARG A 74 -12.445 -2.295 2.929 1.00 0.27 C ATOM 1036 O ARG A 74 -12.518 -3.171 2.074 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.802 -3.472 4.679 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.735 -3.348 5.876 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.121 -2.499 6.978 1.00 1.02 C ATOM 1040 NE ARG A 74 -15.086 -2.171 8.026 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.751 -1.722 9.236 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.476 -1.649 9.596 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -15.694 -1.378 10.098 1.00 2.50 N ATOM 0 H ARG A 74 -15.283 -2.329 2.880 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.175 -1.432 4.740 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.238 -4.163 3.958 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.858 -3.907 5.007 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.679 -2.905 5.558 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.963 -4.340 6.265 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.278 -3.032 7.417 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.727 -1.578 6.548 1.00 1.02 H new ATOM 0 HE ARG A 74 -16.077 -2.293 7.819 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.745 -1.937 8.946 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -13.227 -1.305 10.523 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.677 -1.456 9.837 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -15.438 -1.035 11.024 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.458 -1.425 2.986 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.303 -1.515 2.118 1.00 0.14 C ATOM 1059 C TYR A 75 -9.062 -1.616 2.962 1.00 0.13 C ATOM 1060 O TYR A 75 -8.738 -0.699 3.707 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.200 -0.300 1.207 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.369 -0.145 0.285 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.760 -1.196 -0.515 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.084 1.043 0.216 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.833 -1.079 -1.363 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.162 1.170 -0.635 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.531 0.101 -1.421 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.605 0.206 -2.264 1.00 0.35 O ATOM 0 H TYR A 75 -11.434 -0.637 3.634 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.409 -2.400 1.491 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.109 0.597 1.820 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.288 -0.376 0.615 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.214 -2.127 -0.474 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.793 1.878 0.836 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.127 -1.913 -1.983 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.711 2.099 -0.684 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.745 1.147 -2.500 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.389 -2.732 2.866 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.182 -2.948 3.631 1.00 0.13 C ATOM 1080 C ALA A 76 -6.044 -3.315 2.717 1.00 0.12 C ATOM 1081 O ALA A 76 -6.253 -3.610 1.550 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.374 -4.019 4.677 1.00 0.16 C ATOM 0 H ALA A 76 -8.655 -3.511 2.264 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.943 -2.017 4.145 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.446 -4.155 5.233 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.167 -3.720 5.362 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.647 -4.956 4.192 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.846 -3.296 3.246 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.679 -3.557 2.447 1.00 0.13 C ATOM 1090 C ALA A 77 -2.625 -4.257 3.272 1.00 0.14 C ATOM 1091 O ALA A 77 -2.710 -4.279 4.491 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.138 -2.256 1.883 1.00 0.12 C ATOM 0 H ALA A 77 -4.655 -3.102 4.229 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.954 -4.210 1.619 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.254 -2.461 1.279 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.900 -1.784 1.263 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.871 -1.588 2.702 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.667 -4.854 2.598 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.512 -5.443 3.244 1.00 0.16 C ATOM 1100 C ARG A 78 0.663 -5.442 2.292 1.00 0.14 C ATOM 1101 O ARG A 78 0.603 -6.037 1.215 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.777 -6.865 3.732 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.469 -7.740 2.720 1.00 0.56 C ATOM 1104 CD ARG A 78 -2.962 -7.682 2.940 1.00 1.56 C ATOM 1105 NE ARG A 78 -3.668 -8.867 2.452 1.00 2.06 N ATOM 1106 CZ ARG A 78 -3.552 -10.095 2.969 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -2.695 -10.343 3.954 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -4.299 -11.080 2.491 1.00 3.35 N ATOM 0 H ARG A 78 -1.666 -4.946 1.582 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.287 -4.835 4.120 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.171 -7.326 4.008 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.385 -6.821 4.636 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.226 -7.408 1.710 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.117 -8.768 2.811 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -3.160 -7.563 4.005 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -3.361 -6.799 2.441 1.00 1.56 H new ATOM 0 HE ARG A 78 -4.296 -8.748 1.657 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -2.114 -9.591 4.326 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -2.618 -11.285 4.338 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -4.957 -10.899 1.733 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -4.215 -12.019 2.881 1.00 3.35 H new ATOM 1122 N LEU A 79 1.719 -4.755 2.668 1.00 0.17 N ATOM 1123 CA LEU A 79 2.895 -4.717 1.837 1.00 0.15 C ATOM 1124 C LEU A 79 4.066 -5.344 2.557 1.00 0.15 C ATOM 1125 O LEU A 79 4.499 -4.869 3.604 1.00 0.22 O ATOM 1126 CB LEU A 79 3.245 -3.292 1.416 1.00 0.16 C ATOM 1127 CG LEU A 79 3.852 -3.179 0.011 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.120 -1.732 -0.345 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.120 -4.019 -0.116 1.00 0.16 C ATOM 0 H LEU A 79 1.785 -4.221 3.535 1.00 0.17 H new ATOM 0 HA LEU A 79 2.677 -5.288 0.935 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.343 -2.681 1.460 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.948 -2.875 2.137 1.00 0.16 H new ATOM 0 HG LEU A 79 3.124 -3.573 -0.699 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.550 -1.677 -1.345 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.185 -1.172 -0.321 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.818 -1.304 0.374 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.525 -3.917 -1.123 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.858 -3.675 0.608 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.884 -5.066 0.076 1.00 0.16 H new ATOM 1141 N ASP A 80 4.556 -6.418 1.984 1.00 0.12 N ATOM 1142 CA ASP A 80 5.747 -7.072 2.467 1.00 0.12 C ATOM 1143 C ASP A 80 6.938 -6.588 1.658 1.00 0.11 C ATOM 1144 O ASP A 80 6.949 -6.694 0.440 1.00 0.15 O ATOM 1145 CB ASP A 80 5.602 -8.590 2.352 1.00 0.15 C ATOM 1146 CG ASP A 80 4.661 -9.182 3.382 1.00 1.16 C ATOM 1147 OD1 ASP A 80 3.432 -9.197 3.138 1.00 2.22 O ATOM 1148 OD2 ASP A 80 5.146 -9.649 4.436 1.00 1.06 O ATOM 0 H ASP A 80 4.138 -6.863 1.167 1.00 0.12 H new ATOM 0 HA ASP A 80 5.899 -6.826 3.518 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.241 -8.839 1.354 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.584 -9.051 2.460 1.00 0.15 H new ATOM 1153 N VAL A 81 7.922 -6.011 2.306 1.00 0.09 N ATOM 1154 CA VAL A 81 9.103 -5.580 1.589 1.00 0.10 C ATOM 1155 C VAL A 81 10.262 -6.497 1.922 1.00 0.12 C ATOM 1156 O VAL A 81 10.806 -6.447 3.017 1.00 0.13 O ATOM 1157 CB VAL A 81 9.497 -4.128 1.908 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.551 -3.655 0.933 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.288 -3.206 1.885 1.00 0.09 C ATOM 0 H VAL A 81 7.932 -5.830 3.310 1.00 0.09 H new ATOM 0 HA VAL A 81 8.867 -5.627 0.526 1.00 0.10 H new ATOM 0 HB VAL A 81 9.909 -4.099 2.917 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.825 -2.626 1.165 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.432 -4.292 1.012 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.157 -3.706 -0.082 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.602 -2.188 2.115 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.831 -3.230 0.896 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.563 -3.538 2.628 1.00 0.09 H new ATOM 1169 N SER A 82 10.626 -7.329 0.969 1.00 0.14 N ATOM 1170 CA SER A 82 11.712 -8.269 1.142 1.00 0.17 C ATOM 1171 C SER A 82 12.773 -8.021 0.078 1.00 0.20 C ATOM 1172 O SER A 82 12.561 -8.309 -1.104 1.00 0.25 O ATOM 1173 CB SER A 82 11.180 -9.700 1.043 1.00 0.21 C ATOM 1174 OG SER A 82 10.474 -9.892 -0.174 1.00 0.82 O ATOM 0 H SER A 82 10.178 -7.372 0.054 1.00 0.14 H new ATOM 0 HA SER A 82 12.160 -8.132 2.126 1.00 0.17 H new ATOM 0 HB2 SER A 82 12.008 -10.406 1.103 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.522 -9.908 1.887 1.00 0.21 H new ATOM 0 HG SER A 82 10.937 -9.422 -0.899 1.00 0.82 H new ATOM 1180 N PHE A 83 13.900 -7.475 0.489 1.00 0.21 N ATOM 1181 CA PHE A 83 14.957 -7.115 -0.439 1.00 0.24 C ATOM 1182 C PHE A 83 16.317 -7.214 0.238 1.00 0.24 C ATOM 1183 O PHE A 83 16.691 -6.345 1.026 1.00 0.23 O ATOM 1184 CB PHE A 83 14.728 -5.695 -0.974 1.00 0.26 C ATOM 1185 CG PHE A 83 15.842 -5.190 -1.846 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.258 -5.908 -2.954 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.480 -4.000 -1.546 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.289 -5.448 -3.750 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.512 -3.534 -2.335 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.918 -4.258 -3.438 1.00 0.34 C ATOM 0 H PHE A 83 14.109 -7.269 1.466 1.00 0.21 H new ATOM 0 HA PHE A 83 14.939 -7.812 -1.276 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.798 -5.676 -1.541 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.602 -5.015 -0.131 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.770 -6.840 -3.199 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.167 -3.429 -0.684 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.602 -6.017 -4.613 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.002 -2.603 -2.090 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.726 -3.895 -4.056 1.00 0.34 H new ATOM 1200 N GLY A 84 17.041 -8.283 -0.061 1.00 0.30 N ATOM 1201 CA GLY A 84 18.369 -8.460 0.491 1.00 0.34 C ATOM 1202 C GLY A 84 18.363 -8.575 2.001 1.00 0.34 C ATOM 1203 O GLY A 84 18.030 -9.624 2.553 1.00 0.41 O ATOM 0 H GLY A 84 16.731 -9.034 -0.678 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.819 -9.356 0.064 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.995 -7.618 0.197 1.00 0.34 H new ATOM 1207 N SER A 85 18.731 -7.493 2.668 1.00 0.32 N ATOM 1208 CA SER A 85 18.817 -7.478 4.119 1.00 0.36 C ATOM 1209 C SER A 85 17.522 -6.994 4.774 1.00 0.31 C ATOM 1210 O SER A 85 17.381 -7.055 5.998 1.00 0.35 O ATOM 1211 CB SER A 85 19.988 -6.613 4.551 1.00 0.43 C ATOM 1212 OG SER A 85 19.988 -5.365 3.873 1.00 0.42 O ATOM 0 H SER A 85 18.976 -6.608 2.224 1.00 0.32 H new ATOM 0 HA SER A 85 18.975 -8.503 4.453 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.940 -6.444 5.627 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.923 -7.137 4.352 1.00 0.43 H new ATOM 0 HG SER A 85 20.752 -4.830 4.173 1.00 0.42 H new ATOM 1218 N VAL A 86 16.575 -6.516 3.975 1.00 0.24 N ATOM 1219 CA VAL A 86 15.320 -6.025 4.526 1.00 0.20 C ATOM 1220 C VAL A 86 14.180 -7.009 4.282 1.00 0.17 C ATOM 1221 O VAL A 86 14.081 -7.615 3.213 1.00 0.18 O ATOM 1222 CB VAL A 86 14.922 -4.642 3.950 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.500 -4.736 2.489 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.816 -4.021 4.788 1.00 0.19 C ATOM 0 H VAL A 86 16.650 -6.459 2.959 1.00 0.24 H new ATOM 0 HA VAL A 86 15.487 -5.919 5.598 1.00 0.20 H new ATOM 0 HB VAL A 86 15.802 -4.000 3.992 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.229 -3.745 2.124 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.326 -5.128 1.896 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.642 -5.402 2.400 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.546 -3.050 4.372 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.943 -4.674 4.780 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.164 -3.893 5.813 1.00 0.19 H new ATOM 1234 N THR A 87 13.353 -7.198 5.298 1.00 0.17 N ATOM 1235 CA THR A 87 12.081 -7.881 5.147 1.00 0.17 C ATOM 1236 C THR A 87 11.108 -7.351 6.195 1.00 0.15 C ATOM 1237 O THR A 87 11.340 -7.486 7.396 1.00 0.18 O ATOM 1238 CB THR A 87 12.215 -9.409 5.294 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.269 -9.900 4.452 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.912 -10.084 4.910 1.00 0.23 C ATOM 0 H THR A 87 13.546 -6.882 6.249 1.00 0.17 H new ATOM 0 HA THR A 87 11.712 -7.684 4.141 1.00 0.17 H new ATOM 0 HB THR A 87 12.450 -9.637 6.334 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.345 -10.872 4.556 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.016 -11.164 5.017 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.113 -9.730 5.562 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.669 -9.844 3.875 1.00 0.23 H new ATOM 1248 N ILE A 88 10.028 -6.747 5.725 1.00 0.12 N ATOM 1249 CA ILE A 88 9.070 -6.058 6.587 1.00 0.11 C ATOM 1250 C ILE A 88 7.676 -6.179 6.008 1.00 0.10 C ATOM 1251 O ILE A 88 7.520 -6.604 4.867 1.00 0.11 O ATOM 1252 CB ILE A 88 9.387 -4.565 6.728 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.123 -3.860 5.409 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.825 -4.358 7.177 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.490 -2.400 5.425 1.00 0.09 C ATOM 0 H ILE A 88 9.787 -6.718 4.734 1.00 0.12 H new ATOM 0 HA ILE A 88 9.135 -6.529 7.568 1.00 0.11 H new ATOM 0 HB ILE A 88 8.738 -4.136 7.492 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.686 -4.359 4.620 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.067 -3.958 5.158 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.027 -3.291 7.270 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.978 -4.842 8.142 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.502 -4.793 6.441 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.275 -1.960 4.451 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.909 -1.887 6.191 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.552 -2.294 5.644 1.00 0.09 H new ATOM 1267 N GLN A 89 6.669 -5.833 6.787 1.00 0.11 N ATOM 1268 CA GLN A 89 5.310 -5.785 6.275 1.00 0.14 C ATOM 1269 C GLN A 89 4.474 -4.753 7.024 1.00 0.14 C ATOM 1270 O GLN A 89 4.754 -4.422 8.176 1.00 0.20 O ATOM 1271 CB GLN A 89 4.623 -7.156 6.346 1.00 0.22 C ATOM 1272 CG GLN A 89 4.681 -7.821 7.715 1.00 0.68 C ATOM 1273 CD GLN A 89 5.934 -8.654 7.920 1.00 1.04 C ATOM 1274 OE1 GLN A 89 6.447 -8.756 9.034 1.00 1.53 O ATOM 1275 NE2 GLN A 89 6.418 -9.280 6.859 1.00 1.88 N ATOM 0 H GLN A 89 6.763 -5.582 7.771 1.00 0.11 H new ATOM 0 HA GLN A 89 5.381 -5.492 5.228 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.579 -7.040 6.056 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.085 -7.818 5.614 1.00 0.22 H new ATOM 0 HG2 GLN A 89 4.632 -7.054 8.487 1.00 0.68 H new ATOM 0 HG3 GLN A 89 3.805 -8.457 7.841 1.00 0.68 H new ATOM 0 HE21 GLN A 89 5.965 -9.171 5.952 1.00 1.88 H new ATOM 0 HE22 GLN A 89 7.244 -9.872 6.949 1.00 1.88 H new ATOM 1284 N CYS A 90 3.463 -4.241 6.348 1.00 0.20 N ATOM 1285 CA CYS A 90 2.510 -3.313 6.942 1.00 0.21 C ATOM 1286 C CYS A 90 1.124 -3.594 6.400 1.00 0.23 C ATOM 1287 O CYS A 90 0.986 -4.173 5.327 1.00 0.31 O ATOM 1288 CB CYS A 90 2.907 -1.872 6.645 1.00 0.22 C ATOM 1289 SG CYS A 90 3.715 -1.658 5.030 1.00 0.97 S ATOM 0 H CYS A 90 3.276 -4.455 5.368 1.00 0.20 H new ATOM 0 HA CYS A 90 2.511 -3.451 8.023 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.017 -1.244 6.683 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.579 -1.520 7.428 1.00 0.22 H new ATOM 1294 N ASN A 91 0.105 -3.178 7.127 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.266 -3.497 6.756 1.00 0.18 C ATOM 1296 C ASN A 91 -2.191 -2.304 6.972 1.00 0.16 C ATOM 1297 O ASN A 91 -2.156 -1.661 8.022 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.755 -4.721 7.543 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.715 -4.519 9.047 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -0.672 -4.686 9.680 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -2.854 -4.197 9.635 1.00 1.82 N ATOM 0 H ASN A 91 0.197 -2.620 7.976 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.286 -3.736 5.693 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.776 -4.955 7.241 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.140 -5.582 7.282 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -2.890 -4.078 10.647 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.697 -4.067 9.076 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.999 -2.000 5.955 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.898 -0.851 6.005 1.00 0.13 C ATOM 1310 C LEU A 92 -5.105 -1.132 6.891 1.00 0.14 C ATOM 1311 O LEU A 92 -5.724 -2.193 6.795 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.377 -0.435 4.603 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.656 0.415 4.571 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.442 1.791 5.200 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.137 0.580 3.151 1.00 0.12 C ATOM 0 H LEU A 92 -3.048 -2.535 5.088 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.325 -0.028 6.432 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.578 0.123 4.115 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.544 -1.336 4.012 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.409 -0.111 5.157 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.371 2.359 5.157 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.137 1.672 6.240 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.665 2.324 4.653 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.044 1.184 3.142 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.366 1.075 2.561 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.349 -0.400 2.723 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.419 -0.184 7.760 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.666 -0.210 8.513 1.00 0.19 C ATOM 1329 C ASP A 93 -7.766 0.432 7.681 1.00 0.17 C ATOM 1330 O ASP A 93 -7.750 1.633 7.459 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.518 0.527 9.850 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.707 -0.251 10.868 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -4.464 -0.100 10.886 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -6.298 -1.024 11.648 1.00 1.02 O ATOM 0 H ASP A 93 -4.824 0.619 7.963 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.924 -1.247 8.729 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -6.043 1.492 9.676 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.508 0.728 10.259 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.739 -0.359 7.207 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.794 0.130 6.304 1.00 0.19 C ATOM 1341 C PRO A 94 -10.618 1.257 6.912 1.00 0.23 C ATOM 1342 O PRO A 94 -11.323 1.981 6.215 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.679 -1.098 6.074 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.328 -2.051 7.161 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.892 -1.789 7.503 1.00 0.21 C ATOM 0 HA PRO A 94 -9.368 0.547 5.391 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.736 -0.833 6.111 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.495 -1.536 5.093 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.968 -1.902 8.031 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.468 -3.082 6.835 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.679 -2.010 8.549 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.216 -2.400 6.904 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.506 1.400 8.215 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.197 2.430 8.947 1.00 0.34 C ATOM 1355 C GLU A 95 -10.466 3.763 8.849 1.00 0.32 C ATOM 1356 O GLU A 95 -10.788 4.701 9.568 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.380 1.986 10.384 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.792 1.572 10.700 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.902 0.740 11.958 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -12.669 -0.483 11.880 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -13.240 1.295 13.022 1.00 1.21 O ATOM 0 H GLU A 95 -9.926 0.797 8.798 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.181 2.586 8.506 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.709 1.152 10.588 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.089 2.799 11.049 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.410 2.464 10.807 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -13.194 1.004 9.861 1.00 0.69 H new ATOM 1368 N THR A 96 -9.427 3.819 8.014 1.00 0.23 N ATOM 1369 CA THR A 96 -8.713 5.059 7.763 1.00 0.24 C ATOM 1370 C THR A 96 -9.024 5.626 6.371 1.00 0.23 C ATOM 1371 O THR A 96 -8.767 6.799 6.099 1.00 0.30 O ATOM 1372 CB THR A 96 -7.206 4.847 7.888 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.715 4.062 6.801 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.874 4.164 9.205 1.00 0.31 C ATOM 0 H THR A 96 -9.065 3.014 7.502 1.00 0.23 H new ATOM 0 HA THR A 96 -9.050 5.775 8.513 1.00 0.24 H new ATOM 0 HB THR A 96 -6.724 5.824 7.862 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.105 3.164 6.844 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.796 4.020 9.279 1.00 0.31 H new ATOM 0 HG22 THR A 96 -7.215 4.786 10.033 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.373 3.196 9.249 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.580 4.772 5.511 1.00 0.20 N ATOM 1383 CA VAL A 97 -9.935 5.118 4.116 1.00 0.23 C ATOM 1384 C VAL A 97 -10.591 6.491 3.967 1.00 0.29 C ATOM 1385 O VAL A 97 -10.283 7.211 3.025 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.882 4.056 3.510 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.445 4.511 2.166 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.159 2.727 3.354 1.00 0.51 C ATOM 0 H VAL A 97 -9.803 3.807 5.757 1.00 0.20 H new ATOM 0 HA VAL A 97 -8.986 5.144 3.580 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.718 3.927 4.197 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.106 3.741 1.769 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.005 5.436 2.301 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.626 4.681 1.467 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.839 1.991 2.926 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.301 2.855 2.694 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.818 2.382 4.330 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.468 6.846 4.903 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.301 8.050 4.784 1.00 0.38 C ATOM 1400 C LYS A 98 -11.469 9.279 4.473 1.00 0.40 C ATOM 1401 O LYS A 98 -10.903 9.905 5.371 1.00 0.47 O ATOM 1402 CB LYS A 98 -13.128 8.322 6.052 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.944 7.140 6.592 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.095 6.105 7.327 1.00 0.53 C ATOM 1405 CE LYS A 98 -11.936 6.751 8.060 1.00 1.34 C ATOM 1406 NZ LYS A 98 -12.379 7.619 9.184 1.00 2.40 N ATOM 0 H LYS A 98 -11.624 6.315 5.760 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.983 7.852 3.957 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.451 8.659 6.837 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.812 9.145 5.846 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.712 7.516 7.268 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.459 6.655 5.763 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.718 5.561 8.038 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -12.713 5.374 6.614 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -11.276 5.973 8.445 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.352 7.344 7.356 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -11.901 8.540 9.120 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.408 7.758 9.130 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -12.138 7.166 10.088 1.00 2.40 H new