USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 840 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 35 SER OG : rot -53:sc= 0.759 USER MOD Set 1.2: A 66 ASN : amide:sc= 2.07 K(o=-0.73,f=-3.5) USER MOD Set 1.3: A 98 LYS NZ :NH3+ -171:sc= -3.57! (180deg=-3.89!) USER MOD Set 2.1: A 51 SER OG : rot -103:sc= 0.101 USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 1 GLN N :NH3+ 139:sc= 0.0641 (180deg=-0.00539) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.435 X(o=0.43,f=-0.0045) USER MOD Single : A 12 SER OG : rot 35:sc= 0.204 USER MOD Single : A 13 GLN : amide:sc= 0.427 X(o=0.43,f=-0.058) USER MOD Single : A 15 SER OG : rot 18:sc= 0.913 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.68) USER MOD Single : A 23 ASN : amide:sc= -3.59! C(o=-3.6!,f=-1.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 30 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.3) USER MOD Single : A 34 HIS : no HD1:sc= -0.0584 X(o=-0.058,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 179:sc= -1.68 (180deg=-1.69) USER MOD Single : A 39 SER OG : rot -75:sc= 1.07 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.354 K(o=0.35,f=-1.7) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 64 GLN : amide:sc= 0.588 K(o=0.59,f=-0.036) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 82:sc= 0.0837 USER MOD Single : A 81 GLN : amide:sc= 0.474 K(o=0.47,f=-1) USER MOD Single : A 84 GLN : amide:sc= -0.088 K(o=-0.088,f=-1.2) USER MOD Single : A 87 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.2!) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot -85:sc= 0.955 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.8!) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00107) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -156:sc=-0.00703 (180deg=-0.154) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 118 SER OG : rot 44:sc= 0.0147 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00388 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 12.018 66.769 35.441 1.00 74.33 N ATOM 2 CA GLN A 1 10.838 67.039 34.600 1.00 64.42 C ATOM 3 C GLN A 1 11.321 67.761 33.350 1.00 71.52 C ATOM 4 O GLN A 1 12.136 68.663 33.500 1.00 25.30 O ATOM 5 CB GLN A 1 9.756 67.824 35.368 1.00 30.13 C ATOM 6 CG GLN A 1 10.201 69.154 36.018 1.00 61.32 C ATOM 7 CD GLN A 1 9.078 69.782 36.845 1.00 12.40 C ATOM 8 OE1 GLN A 1 7.912 69.571 36.567 1.00 74.24 O ATOM 9 NE2 GLN A 1 9.390 70.527 37.892 1.00 22.22 N ATOM 0 H1 GLN A 1 11.781 66.946 36.438 1.00 74.33 H new ATOM 0 H2 GLN A 1 12.308 65.777 35.324 1.00 74.33 H new ATOM 0 H3 GLN A 1 12.799 67.394 35.155 1.00 74.33 H new ATOM 0 HA GLN A 1 10.353 66.106 34.312 1.00 64.42 H new ATOM 0 HB2 GLN A 1 8.937 68.037 34.681 1.00 30.13 H new ATOM 0 HB3 GLN A 1 9.357 67.179 36.150 1.00 30.13 H new ATOM 0 HG2 GLN A 1 11.067 68.976 36.656 1.00 61.32 H new ATOM 0 HG3 GLN A 1 10.515 69.852 35.242 1.00 61.32 H new ATOM 0 HE21 GLN A 1 10.369 70.701 38.121 1.00 22.22 H new ATOM 0 HE22 GLN A 1 8.652 70.928 38.471 1.00 22.22 H new ATOM 16 N ALA A 2 10.895 67.317 32.162 1.00 70.33 N ATOM 17 CA ALA A 2 11.122 67.903 30.839 1.00 50.43 C ATOM 18 C ALA A 2 10.518 66.907 29.846 1.00 33.53 C ATOM 19 O ALA A 2 9.326 66.979 29.576 1.00 63.21 O ATOM 20 CB ALA A 2 12.607 68.191 30.546 1.00 65.24 C ATOM 0 H ALA A 2 10.335 66.467 32.098 1.00 70.33 H new ATOM 0 HA ALA A 2 10.652 68.884 30.766 1.00 50.43 H new ATOM 0 HB1 ALA A 2 12.704 68.624 29.550 1.00 65.24 H new ATOM 0 HB2 ALA A 2 12.995 68.892 31.286 1.00 65.24 H new ATOM 0 HB3 ALA A 2 13.174 67.262 30.594 1.00 65.24 H new ATOM 26 N GLN A 3 11.298 65.889 29.458 1.00 23.32 N ATOM 27 CA GLN A 3 11.027 64.963 28.354 1.00 33.20 C ATOM 28 C GLN A 3 11.106 65.714 27.015 1.00 54.42 C ATOM 29 O GLN A 3 11.606 66.837 26.973 1.00 62.43 O ATOM 30 CB GLN A 3 9.724 64.154 28.547 1.00 31.23 C ATOM 31 CG GLN A 3 9.591 63.549 29.956 1.00 45.43 C ATOM 32 CD GLN A 3 8.409 62.592 30.094 1.00 43.44 C ATOM 33 OE1 GLN A 3 8.554 61.506 30.632 1.00 62.23 O ATOM 34 NE2 GLN A 3 7.220 62.975 29.657 1.00 70.45 N ATOM 0 H GLN A 3 12.178 65.680 29.930 1.00 23.32 H new ATOM 0 HA GLN A 3 11.804 64.199 28.345 1.00 33.20 H new ATOM 0 HB2 GLN A 3 8.869 64.802 28.355 1.00 31.23 H new ATOM 0 HB3 GLN A 3 9.689 63.352 27.809 1.00 31.23 H new ATOM 0 HG2 GLN A 3 10.510 63.018 30.204 1.00 45.43 H new ATOM 0 HG3 GLN A 3 9.483 64.355 30.681 1.00 45.43 H new ATOM 0 HE21 GLN A 3 7.110 63.885 29.209 1.00 70.45 H new ATOM 0 HE22 GLN A 3 6.414 62.361 29.768 1.00 70.45 H new ATOM 41 N GLY A 4 10.698 65.072 25.921 1.00 65.54 N ATOM 42 CA GLY A 4 10.698 65.649 24.587 1.00 42.41 C ATOM 43 C GLY A 4 9.892 64.723 23.691 1.00 65.22 C ATOM 44 O GLY A 4 8.715 64.497 23.960 1.00 4.24 O ATOM 0 H GLY A 4 10.351 64.113 25.944 1.00 65.54 H new ATOM 0 HA2 GLY A 4 10.260 66.647 24.601 1.00 42.41 H new ATOM 0 HA3 GLY A 4 11.717 65.753 24.214 1.00 42.41 H new ATOM 48 N VAL A 5 10.529 64.127 22.686 1.00 74.41 N ATOM 49 CA VAL A 5 9.928 63.143 21.797 1.00 74.25 C ATOM 50 C VAL A 5 10.920 61.985 21.662 1.00 65.34 C ATOM 51 O VAL A 5 12.122 62.174 21.859 1.00 30.44 O ATOM 52 CB VAL A 5 9.537 63.833 20.467 1.00 43.05 C ATOM 53 CG1 VAL A 5 10.738 64.416 19.702 1.00 42.02 C ATOM 54 CG2 VAL A 5 8.737 62.908 19.538 1.00 2.21 C ATOM 0 H VAL A 5 11.505 64.323 22.464 1.00 74.41 H new ATOM 0 HA VAL A 5 8.999 62.724 22.184 1.00 74.25 H new ATOM 0 HB VAL A 5 8.900 64.665 20.769 1.00 43.05 H new ATOM 0 HG11 VAL A 5 10.390 64.884 18.781 1.00 42.02 H new ATOM 0 HG12 VAL A 5 11.237 65.161 20.322 1.00 42.02 H new ATOM 0 HG13 VAL A 5 11.439 63.617 19.461 1.00 42.02 H new ATOM 0 HG21 VAL A 5 8.488 63.441 18.620 1.00 2.21 H new ATOM 0 HG22 VAL A 5 9.335 62.029 19.297 1.00 2.21 H new ATOM 0 HG23 VAL A 5 7.819 62.597 20.037 1.00 2.21 H new ATOM 64 N LEU A 6 10.422 60.789 21.350 1.00 54.45 N ATOM 65 CA LEU A 6 11.198 59.586 21.087 1.00 23.24 C ATOM 66 C LEU A 6 10.536 58.883 19.900 1.00 50.24 C ATOM 67 O LEU A 6 9.376 59.166 19.591 1.00 41.02 O ATOM 68 CB LEU A 6 11.232 58.646 22.312 1.00 44.23 C ATOM 69 CG LEU A 6 11.923 59.214 23.574 1.00 42.11 C ATOM 70 CD1 LEU A 6 10.931 59.890 24.535 1.00 64.52 C ATOM 71 CD2 LEU A 6 12.627 58.087 24.340 1.00 12.32 C ATOM 0 H LEU A 6 9.418 60.629 21.271 1.00 54.45 H new ATOM 0 HA LEU A 6 12.233 59.851 20.870 1.00 23.24 H new ATOM 0 HB2 LEU A 6 10.207 58.379 22.570 1.00 44.23 H new ATOM 0 HB3 LEU A 6 11.739 57.725 22.026 1.00 44.23 H new ATOM 0 HG LEU A 6 12.637 59.961 23.226 1.00 42.11 H new ATOM 0 HD11 LEU A 6 11.468 60.271 25.404 1.00 64.52 H new ATOM 0 HD12 LEU A 6 10.435 60.715 24.024 1.00 64.52 H new ATOM 0 HD13 LEU A 6 10.186 59.163 24.859 1.00 64.52 H new ATOM 0 HD21 LEU A 6 13.111 58.497 25.227 1.00 12.32 H new ATOM 0 HD22 LEU A 6 11.894 57.338 24.640 1.00 12.32 H new ATOM 0 HD23 LEU A 6 13.377 57.625 23.699 1.00 12.32 H new ATOM 82 N ALA A 7 11.237 57.949 19.255 1.00 4.44 N ATOM 83 CA ALA A 7 10.705 57.106 18.192 1.00 45.13 C ATOM 84 C ALA A 7 11.424 55.757 18.221 1.00 61.52 C ATOM 85 O ALA A 7 12.385 55.578 18.969 1.00 33.10 O ATOM 86 CB ALA A 7 10.878 57.805 16.835 1.00 30.23 C ATOM 0 H ALA A 7 12.216 57.756 19.466 1.00 4.44 H new ATOM 0 HA ALA A 7 9.639 56.936 18.344 1.00 45.13 H new ATOM 0 HB1 ALA A 7 10.478 57.169 16.045 1.00 30.23 H new ATOM 0 HB2 ALA A 7 10.342 58.754 16.844 1.00 30.23 H new ATOM 0 HB3 ALA A 7 11.937 57.988 16.652 1.00 30.23 H new ATOM 92 N SER A 8 10.951 54.805 17.420 1.00 74.33 N ATOM 93 CA SER A 8 11.505 53.467 17.284 1.00 32.20 C ATOM 94 C SER A 8 11.077 52.893 15.924 1.00 5.10 C ATOM 95 O SER A 8 10.497 53.616 15.108 1.00 5.33 O ATOM 96 CB SER A 8 11.029 52.628 18.478 1.00 50.11 C ATOM 97 OG SER A 8 9.617 52.587 18.566 1.00 21.12 O ATOM 0 H SER A 8 10.137 54.955 16.824 1.00 74.33 H new ATOM 0 HA SER A 8 12.595 53.467 17.299 1.00 32.20 H new ATOM 0 HB2 SER A 8 11.416 51.613 18.386 1.00 50.11 H new ATOM 0 HB3 SER A 8 11.438 53.043 19.399 1.00 50.11 H new ATOM 0 HG SER A 8 9.353 52.043 19.337 1.00 21.12 H new ATOM 102 N GLN A 9 11.386 51.624 15.651 1.00 10.13 N ATOM 103 CA GLN A 9 10.820 50.791 14.590 1.00 61.35 C ATOM 104 C GLN A 9 11.278 49.349 14.833 1.00 74.12 C ATOM 105 O GLN A 9 12.161 49.116 15.660 1.00 43.11 O ATOM 106 CB GLN A 9 11.201 51.291 13.179 1.00 53.31 C ATOM 107 CG GLN A 9 12.689 51.639 12.966 1.00 32.10 C ATOM 108 CD GLN A 9 12.888 52.981 12.259 1.00 3.40 C ATOM 109 OE1 GLN A 9 13.582 53.069 11.257 1.00 70.33 O ATOM 110 NE2 GLN A 9 12.304 54.059 12.764 1.00 52.31 N ATOM 0 H GLN A 9 12.082 51.120 16.200 1.00 10.13 H new ATOM 0 HA GLN A 9 9.732 50.847 14.625 1.00 61.35 H new ATOM 0 HB2 GLN A 9 10.920 50.526 12.455 1.00 53.31 H new ATOM 0 HB3 GLN A 9 10.605 52.176 12.955 1.00 53.31 H new ATOM 0 HG2 GLN A 9 13.194 51.664 13.932 1.00 32.10 H new ATOM 0 HG3 GLN A 9 13.162 50.851 12.380 1.00 32.10 H new ATOM 0 HE21 GLN A 9 11.726 53.981 13.600 1.00 52.31 H new ATOM 0 HE22 GLN A 9 12.433 54.966 12.316 1.00 52.31 H new ATOM 117 N ALA A 10 10.680 48.392 14.124 1.00 31.24 N ATOM 118 CA ALA A 10 11.036 46.979 14.116 1.00 61.54 C ATOM 119 C ALA A 10 10.560 46.386 12.783 1.00 13.02 C ATOM 120 O ALA A 10 9.925 47.083 11.991 1.00 50.03 O ATOM 121 CB ALA A 10 10.370 46.267 15.303 1.00 3.00 C ATOM 0 H ALA A 10 9.893 48.596 13.508 1.00 31.24 H new ATOM 0 HA ALA A 10 12.114 46.848 14.215 1.00 61.54 H new ATOM 0 HB1 ALA A 10 10.640 45.211 15.292 1.00 3.00 H new ATOM 0 HB2 ALA A 10 10.710 46.718 16.235 1.00 3.00 H new ATOM 0 HB3 ALA A 10 9.287 46.366 15.226 1.00 3.00 H new ATOM 127 N LEU A 11 10.828 45.099 12.549 1.00 4.10 N ATOM 128 CA LEU A 11 10.278 44.314 11.449 1.00 65.31 C ATOM 129 C LEU A 11 9.910 42.931 11.980 1.00 63.31 C ATOM 130 O LEU A 11 10.374 42.540 13.051 1.00 3.41 O ATOM 131 CB LEU A 11 11.281 44.260 10.280 1.00 14.00 C ATOM 132 CG LEU A 11 12.588 43.476 10.550 1.00 25.22 C ATOM 133 CD1 LEU A 11 12.491 41.988 10.180 1.00 5.10 C ATOM 134 CD2 LEU A 11 13.731 44.095 9.738 1.00 5.34 C ATOM 0 H LEU A 11 11.457 44.559 13.143 1.00 4.10 H new ATOM 0 HA LEU A 11 9.374 44.777 11.054 1.00 65.31 H new ATOM 0 HB2 LEU A 11 10.783 43.814 9.419 1.00 14.00 H new ATOM 0 HB3 LEU A 11 11.543 45.281 10.003 1.00 14.00 H new ATOM 0 HG LEU A 11 12.772 43.542 11.622 1.00 25.22 H new ATOM 0 HD11 LEU A 11 13.440 41.497 10.394 1.00 5.10 H new ATOM 0 HD12 LEU A 11 11.700 41.518 10.765 1.00 5.10 H new ATOM 0 HD13 LEU A 11 12.264 41.891 9.118 1.00 5.10 H new ATOM 0 HD21 LEU A 11 14.652 43.544 9.927 1.00 5.34 H new ATOM 0 HD22 LEU A 11 13.491 44.046 8.676 1.00 5.34 H new ATOM 0 HD23 LEU A 11 13.864 45.136 10.032 1.00 5.34 H new ATOM 145 N SER A 12 9.111 42.181 11.223 1.00 64.32 N ATOM 146 CA SER A 12 8.621 40.868 11.615 1.00 54.04 C ATOM 147 C SER A 12 8.511 39.992 10.368 1.00 41.24 C ATOM 148 O SER A 12 7.638 40.229 9.528 1.00 63.41 O ATOM 149 CB SER A 12 7.275 41.031 12.338 1.00 53.31 C ATOM 150 OG SER A 12 6.388 41.851 11.594 1.00 13.30 O ATOM 0 H SER A 12 8.782 42.477 10.304 1.00 64.32 H new ATOM 0 HA SER A 12 9.308 40.379 12.306 1.00 54.04 H new ATOM 0 HB2 SER A 12 6.823 40.052 12.496 1.00 53.31 H new ATOM 0 HB3 SER A 12 7.439 41.468 13.323 1.00 53.31 H new ATOM 0 HG SER A 12 6.530 41.701 10.636 1.00 13.30 H new ATOM 155 N GLN A 13 9.406 39.017 10.224 1.00 44.43 N ATOM 156 CA GLN A 13 9.319 37.915 9.273 1.00 50.34 C ATOM 157 C GLN A 13 9.684 36.634 10.037 1.00 10.00 C ATOM 158 O GLN A 13 10.080 36.703 11.201 1.00 11.33 O ATOM 159 CB GLN A 13 10.244 38.145 8.058 1.00 52.22 C ATOM 160 CG GLN A 13 9.694 39.139 7.020 1.00 43.35 C ATOM 161 CD GLN A 13 10.203 40.569 7.195 1.00 74.15 C ATOM 162 OE1 GLN A 13 11.332 40.887 6.855 1.00 60.21 O ATOM 163 NE2 GLN A 13 9.386 41.479 7.694 1.00 54.25 N ATOM 0 H GLN A 13 10.250 38.973 10.795 1.00 44.43 H new ATOM 0 HA GLN A 13 8.311 37.836 8.865 1.00 50.34 H new ATOM 0 HB2 GLN A 13 11.208 38.507 8.414 1.00 52.22 H new ATOM 0 HB3 GLN A 13 10.424 37.188 7.567 1.00 52.22 H new ATOM 0 HG2 GLN A 13 9.959 38.790 6.022 1.00 43.35 H new ATOM 0 HG3 GLN A 13 8.606 39.143 7.077 1.00 43.35 H new ATOM 0 HE21 GLN A 13 8.443 41.216 7.979 1.00 54.25 H new ATOM 0 HE22 GLN A 13 9.699 42.445 7.795 1.00 54.25 H new ATOM 170 N GLY A 14 9.545 35.474 9.396 1.00 12.43 N ATOM 171 CA GLY A 14 9.842 34.172 9.966 1.00 1.22 C ATOM 172 C GLY A 14 9.740 33.153 8.842 1.00 34.12 C ATOM 173 O GLY A 14 10.396 33.303 7.812 1.00 44.25 O ATOM 0 H GLY A 14 9.211 35.419 8.434 1.00 12.43 H new ATOM 0 HA2 GLY A 14 10.840 34.163 10.404 1.00 1.22 H new ATOM 0 HA3 GLY A 14 9.141 33.934 10.766 1.00 1.22 H new ATOM 177 N SER A 15 8.898 32.139 8.994 1.00 54.31 N ATOM 178 CA SER A 15 8.475 31.235 7.941 1.00 12.23 C ATOM 179 C SER A 15 7.102 30.694 8.355 1.00 13.13 C ATOM 180 O SER A 15 6.766 30.667 9.544 1.00 52.12 O ATOM 181 CB SER A 15 9.528 30.136 7.774 1.00 3.23 C ATOM 182 OG SER A 15 10.709 30.650 7.176 1.00 5.04 O ATOM 0 H SER A 15 8.475 31.918 9.895 1.00 54.31 H new ATOM 0 HA SER A 15 8.384 31.724 6.971 1.00 12.23 H new ATOM 0 HB2 SER A 15 9.766 29.705 8.746 1.00 3.23 H new ATOM 0 HB3 SER A 15 9.125 29.332 7.159 1.00 3.23 H new ATOM 0 HG SER A 15 10.720 31.626 7.260 1.00 5.04 H new ATOM 187 N GLU A 16 6.280 30.339 7.375 1.00 3.40 N ATOM 188 CA GLU A 16 4.857 30.077 7.515 1.00 4.40 C ATOM 189 C GLU A 16 4.441 29.029 6.467 1.00 25.44 C ATOM 190 O GLU A 16 3.979 29.394 5.386 1.00 13.20 O ATOM 191 CB GLU A 16 4.133 31.426 7.376 1.00 70.45 C ATOM 192 CG GLU A 16 2.613 31.356 7.537 1.00 34.10 C ATOM 193 CD GLU A 16 2.098 32.725 7.977 1.00 70.13 C ATOM 194 OE1 GLU A 16 2.115 33.684 7.168 1.00 64.33 O ATOM 195 OE2 GLU A 16 1.746 32.876 9.168 1.00 4.44 O ATOM 0 H GLU A 16 6.606 30.221 6.416 1.00 3.40 H new ATOM 0 HA GLU A 16 4.591 29.656 8.485 1.00 4.40 H new ATOM 0 HB2 GLU A 16 4.532 32.115 8.120 1.00 70.45 H new ATOM 0 HB3 GLU A 16 4.362 31.846 6.397 1.00 70.45 H new ATOM 0 HG2 GLU A 16 2.147 31.063 6.596 1.00 34.10 H new ATOM 0 HG3 GLU A 16 2.347 30.598 8.274 1.00 34.10 H new ATOM 200 N PRO A 17 4.631 27.725 6.741 1.00 65.54 N ATOM 201 CA PRO A 17 4.306 26.649 5.804 1.00 33.41 C ATOM 202 C PRO A 17 2.804 26.368 5.711 1.00 64.22 C ATOM 203 O PRO A 17 2.377 25.666 4.794 1.00 14.14 O ATOM 204 CB PRO A 17 5.000 25.409 6.377 1.00 50.11 C ATOM 205 CG PRO A 17 5.025 25.675 7.875 1.00 70.51 C ATOM 206 CD PRO A 17 5.228 27.184 7.951 1.00 53.44 C ATOM 0 HA PRO A 17 4.629 26.920 4.799 1.00 33.41 H new ATOM 0 HB2 PRO A 17 4.452 24.497 6.141 1.00 50.11 H new ATOM 0 HB3 PRO A 17 6.006 25.290 5.974 1.00 50.11 H new ATOM 0 HG2 PRO A 17 4.096 25.368 8.355 1.00 70.51 H new ATOM 0 HG3 PRO A 17 5.833 25.134 8.368 1.00 70.51 H new ATOM 0 HD2 PRO A 17 4.753 27.598 8.840 1.00 53.44 H new ATOM 0 HD3 PRO A 17 6.287 27.434 8.010 1.00 53.44 H new ATOM 211 N SER A 18 2.026 26.846 6.689 1.00 41.13 N ATOM 212 CA SER A 18 0.695 26.382 7.040 1.00 12.03 C ATOM 213 C SER A 18 0.631 24.851 7.185 1.00 65.43 C ATOM 214 O SER A 18 0.695 24.370 8.317 1.00 62.21 O ATOM 215 CB SER A 18 -0.363 26.999 6.112 1.00 74.41 C ATOM 216 OG SER A 18 -1.261 27.778 6.878 1.00 44.02 O ATOM 0 H SER A 18 2.335 27.612 7.287 1.00 41.13 H new ATOM 0 HA SER A 18 0.448 26.745 8.037 1.00 12.03 H new ATOM 0 HB2 SER A 18 0.118 27.618 5.354 1.00 74.41 H new ATOM 0 HB3 SER A 18 -0.904 26.213 5.585 1.00 74.41 H new ATOM 0 HG SER A 18 -1.936 28.174 6.288 1.00 44.02 H new ATOM 221 N SER A 19 0.510 24.073 6.106 1.00 52.31 N ATOM 222 CA SER A 19 0.339 22.630 6.167 1.00 65.51 C ATOM 223 C SER A 19 0.972 22.010 4.917 1.00 22.40 C ATOM 224 O SER A 19 0.358 21.989 3.850 1.00 22.52 O ATOM 225 CB SER A 19 -1.162 22.334 6.321 1.00 31.13 C ATOM 226 OG SER A 19 -1.418 21.003 6.732 1.00 5.01 O ATOM 0 H SER A 19 0.529 24.439 5.154 1.00 52.31 H new ATOM 0 HA SER A 19 0.843 22.183 7.024 1.00 65.51 H new ATOM 0 HB2 SER A 19 -1.591 23.023 7.048 1.00 31.13 H new ATOM 0 HB3 SER A 19 -1.664 22.519 5.371 1.00 31.13 H new ATOM 0 HG SER A 19 -2.385 20.867 6.817 1.00 5.01 H new ATOM 231 N GLU A 20 2.206 21.511 5.040 1.00 40.23 N ATOM 232 CA GLU A 20 2.880 20.732 4.000 1.00 23.10 C ATOM 233 C GLU A 20 2.165 19.375 3.879 1.00 31.32 C ATOM 234 O GLU A 20 2.544 18.414 4.551 1.00 62.33 O ATOM 235 CB GLU A 20 4.372 20.531 4.347 1.00 74.41 C ATOM 236 CG GLU A 20 5.225 21.804 4.457 1.00 1.21 C ATOM 237 CD GLU A 20 5.586 22.490 3.141 1.00 23.34 C ATOM 238 OE1 GLU A 20 5.161 22.033 2.062 1.00 72.15 O ATOM 239 OE2 GLU A 20 6.358 23.472 3.195 1.00 40.43 O ATOM 0 H GLU A 20 2.772 21.640 5.879 1.00 40.23 H new ATOM 0 HA GLU A 20 2.835 21.264 3.050 1.00 23.10 H new ATOM 0 HB2 GLU A 20 4.433 19.996 5.295 1.00 74.41 H new ATOM 0 HB3 GLU A 20 4.816 19.887 3.588 1.00 74.41 H new ATOM 0 HG2 GLU A 20 4.692 22.521 5.082 1.00 1.21 H new ATOM 0 HG3 GLU A 20 6.149 21.553 4.977 1.00 1.21 H new ATOM 244 N ASN A 21 1.078 19.320 3.105 1.00 12.20 N ATOM 245 CA ASN A 21 0.316 18.121 2.739 1.00 63.44 C ATOM 246 C ASN A 21 0.065 17.157 3.910 1.00 33.14 C ATOM 247 O ASN A 21 0.739 16.125 4.034 1.00 44.05 O ATOM 248 CB ASN A 21 0.926 17.425 1.509 1.00 71.12 C ATOM 249 CG ASN A 21 0.196 16.117 1.198 1.00 0.43 C ATOM 250 OD1 ASN A 21 -1.012 15.997 1.391 1.00 40.44 O ATOM 251 ND2 ASN A 21 0.905 15.103 0.738 1.00 74.21 N ATOM 0 H ASN A 21 0.681 20.163 2.691 1.00 12.20 H new ATOM 0 HA ASN A 21 -0.679 18.467 2.459 1.00 63.44 H new ATOM 0 HB2 ASN A 21 0.871 18.090 0.647 1.00 71.12 H new ATOM 0 HB3 ASN A 21 1.982 17.222 1.688 1.00 71.12 H new ATOM 0 HD21 ASN A 21 0.451 14.211 0.540 1.00 74.21 H new ATOM 0 HD22 ASN A 21 1.907 15.211 0.581 1.00 74.21 H new ATOM 257 N ALA A 22 -0.917 17.461 4.764 1.00 35.44 N ATOM 258 CA ALA A 22 -1.435 16.511 5.741 1.00 25.24 C ATOM 259 C ALA A 22 -2.435 15.585 5.056 1.00 41.33 C ATOM 260 O ALA A 22 -3.442 16.047 4.516 1.00 23.22 O ATOM 261 CB ALA A 22 -2.108 17.242 6.906 1.00 31.33 C ATOM 0 H ALA A 22 -1.372 18.373 4.794 1.00 35.44 H new ATOM 0 HA ALA A 22 -0.607 15.927 6.142 1.00 25.24 H new ATOM 0 HB1 ALA A 22 -2.487 16.513 7.623 1.00 31.33 H new ATOM 0 HB2 ALA A 22 -1.382 17.890 7.397 1.00 31.33 H new ATOM 0 HB3 ALA A 22 -2.935 17.844 6.529 1.00 31.33 H new ATOM 267 N ASN A 23 -2.160 14.286 5.081 1.00 12.10 N ATOM 268 CA ASN A 23 -3.072 13.216 4.700 1.00 15.31 C ATOM 269 C ASN A 23 -2.830 12.041 5.659 1.00 11.00 C ATOM 270 O ASN A 23 -2.258 12.251 6.731 1.00 4.01 O ATOM 271 CB ASN A 23 -2.874 12.885 3.212 1.00 55.13 C ATOM 272 CG ASN A 23 -3.832 11.832 2.648 1.00 13.14 C ATOM 273 OD1 ASN A 23 -3.482 11.074 1.755 1.00 73.52 O ATOM 274 ND2 ASN A 23 -5.044 11.707 3.173 1.00 22.44 N ATOM 0 H ASN A 23 -1.251 13.934 5.382 1.00 12.10 H new ATOM 0 HA ASN A 23 -4.121 13.498 4.794 1.00 15.31 H new ATOM 0 HB2 ASN A 23 -2.986 13.802 2.634 1.00 55.13 H new ATOM 0 HB3 ASN A 23 -1.851 12.538 3.066 1.00 55.13 H new ATOM 0 HD21 ASN A 23 -5.676 10.983 2.831 1.00 22.44 H new ATOM 0 HD22 ASN A 23 -5.344 12.335 3.918 1.00 22.44 H new ATOM 280 N ASP A 24 -3.303 10.838 5.341 1.00 25.44 N ATOM 281 CA ASP A 24 -3.107 9.598 6.076 1.00 13.42 C ATOM 282 C ASP A 24 -2.606 8.593 5.048 1.00 50.22 C ATOM 283 O ASP A 24 -3.377 8.182 4.178 1.00 31.25 O ATOM 284 CB ASP A 24 -4.401 9.075 6.706 1.00 3.15 C ATOM 285 CG ASP A 24 -5.087 10.021 7.672 1.00 25.40 C ATOM 286 OD1 ASP A 24 -4.466 10.383 8.697 1.00 41.05 O ATOM 287 OD2 ASP A 24 -6.272 10.340 7.423 1.00 43.44 O ATOM 0 H ASP A 24 -3.871 10.698 4.506 1.00 25.44 H new ATOM 0 HA ASP A 24 -2.411 9.758 6.899 1.00 13.42 H new ATOM 0 HB2 ASP A 24 -5.100 8.830 5.907 1.00 3.15 H new ATOM 0 HB3 ASP A 24 -4.179 8.146 7.231 1.00 3.15 H new ATOM 291 N THR A 25 -1.320 8.247 5.046 1.00 65.41 N ATOM 292 CA THR A 25 -0.804 7.213 4.151 1.00 12.22 C ATOM 293 C THR A 25 0.380 6.521 4.832 1.00 31.51 C ATOM 294 O THR A 25 1.178 7.173 5.514 1.00 41.10 O ATOM 295 CB THR A 25 -0.426 7.830 2.790 1.00 64.11 C ATOM 296 OG1 THR A 25 -1.459 8.668 2.304 1.00 64.41 O ATOM 297 CG2 THR A 25 -0.201 6.759 1.724 1.00 55.10 C ATOM 0 H THR A 25 -0.617 8.667 5.654 1.00 65.41 H new ATOM 0 HA THR A 25 -1.567 6.461 3.951 1.00 12.22 H new ATOM 0 HB THR A 25 0.490 8.394 2.965 1.00 64.11 H new ATOM 0 HG1 THR A 25 -1.193 9.048 1.441 1.00 64.41 H new ATOM 0 HG21 THR A 25 0.063 7.235 0.780 1.00 55.10 H new ATOM 0 HG22 THR A 25 0.608 6.099 2.037 1.00 55.10 H new ATOM 0 HG23 THR A 25 -1.114 6.178 1.594 1.00 55.10 H new ATOM 305 N ILE A 26 0.467 5.199 4.682 1.00 53.23 N ATOM 306 CA ILE A 26 1.571 4.381 5.161 1.00 25.54 C ATOM 307 C ILE A 26 2.665 4.419 4.099 1.00 23.33 C ATOM 308 O ILE A 26 2.412 4.656 2.913 1.00 2.45 O ATOM 309 CB ILE A 26 1.070 2.950 5.474 1.00 74.42 C ATOM 310 CG1 ILE A 26 0.201 3.003 6.738 1.00 1.11 C ATOM 311 CG2 ILE A 26 2.181 1.898 5.653 1.00 50.30 C ATOM 312 CD1 ILE A 26 -0.688 1.780 6.947 1.00 10.12 C ATOM 0 H ILE A 26 -0.254 4.655 4.208 1.00 53.23 H new ATOM 0 HA ILE A 26 1.985 4.763 6.094 1.00 25.54 H new ATOM 0 HB ILE A 26 0.504 2.624 4.602 1.00 74.42 H new ATOM 0 HG12 ILE A 26 0.851 3.117 7.606 1.00 1.11 H new ATOM 0 HG13 ILE A 26 -0.429 3.891 6.693 1.00 1.11 H new ATOM 0 HG21 ILE A 26 1.732 0.928 5.869 1.00 50.30 H new ATOM 0 HG22 ILE A 26 2.769 1.830 4.738 1.00 50.30 H new ATOM 0 HG23 ILE A 26 2.829 2.190 6.479 1.00 50.30 H new ATOM 0 HD11 ILE A 26 -1.266 1.903 7.863 1.00 10.12 H new ATOM 0 HD12 ILE A 26 -1.367 1.675 6.101 1.00 10.12 H new ATOM 0 HD13 ILE A 26 -0.067 0.888 7.027 1.00 10.12 H new ATOM 323 N ILE A 27 3.881 4.143 4.549 1.00 53.44 N ATOM 324 CA ILE A 27 5.069 4.074 3.729 1.00 11.25 C ATOM 325 C ILE A 27 5.838 2.833 4.179 1.00 10.13 C ATOM 326 O ILE A 27 5.959 2.559 5.375 1.00 71.24 O ATOM 327 CB ILE A 27 5.832 5.415 3.825 1.00 20.32 C ATOM 328 CG1 ILE A 27 6.837 5.617 2.670 1.00 31.55 C ATOM 329 CG2 ILE A 27 6.505 5.632 5.186 1.00 33.12 C ATOM 330 CD1 ILE A 27 6.112 6.161 1.440 1.00 63.10 C ATOM 0 H ILE A 27 4.068 3.955 5.534 1.00 53.44 H new ATOM 0 HA ILE A 27 4.868 3.955 2.664 1.00 11.25 H new ATOM 0 HB ILE A 27 5.064 6.182 3.725 1.00 20.32 H new ATOM 0 HG12 ILE A 27 7.622 6.309 2.976 1.00 31.55 H new ATOM 0 HG13 ILE A 27 7.322 4.671 2.429 1.00 31.55 H new ATOM 0 HG21 ILE A 27 7.023 6.591 5.187 1.00 33.12 H new ATOM 0 HG22 ILE A 27 5.749 5.627 5.971 1.00 33.12 H new ATOM 0 HG23 ILE A 27 7.222 4.832 5.369 1.00 33.12 H new ATOM 0 HD11 ILE A 27 6.827 6.301 0.629 1.00 63.10 H new ATOM 0 HD12 ILE A 27 5.343 5.454 1.128 1.00 63.10 H new ATOM 0 HD13 ILE A 27 5.648 7.117 1.684 1.00 63.10 H new ATOM 341 N LEU A 28 6.293 2.034 3.224 1.00 34.23 N ATOM 342 CA LEU A 28 7.203 0.933 3.487 1.00 63.54 C ATOM 343 C LEU A 28 8.610 1.506 3.482 1.00 2.13 C ATOM 344 O LEU A 28 8.888 2.408 2.693 1.00 0.32 O ATOM 345 CB LEU A 28 7.122 -0.130 2.383 1.00 14.45 C ATOM 346 CG LEU A 28 5.822 -0.938 2.240 1.00 41.31 C ATOM 347 CD1 LEU A 28 5.346 -1.447 3.594 1.00 12.11 C ATOM 348 CD2 LEU A 28 4.675 -0.178 1.564 1.00 72.10 C ATOM 0 H LEU A 28 6.039 2.133 2.241 1.00 34.23 H new ATOM 0 HA LEU A 28 6.943 0.467 4.438 1.00 63.54 H new ATOM 0 HB2 LEU A 28 7.311 0.365 1.431 1.00 14.45 H new ATOM 0 HB3 LEU A 28 7.936 -0.837 2.542 1.00 14.45 H new ATOM 0 HG LEU A 28 6.082 -1.769 1.585 1.00 41.31 H new ATOM 0 HD11 LEU A 28 4.425 -2.015 3.466 1.00 12.11 H new ATOM 0 HD12 LEU A 28 6.111 -2.089 4.031 1.00 12.11 H new ATOM 0 HD13 LEU A 28 5.161 -0.601 4.256 1.00 12.11 H new ATOM 0 HD21 LEU A 28 3.797 -0.822 1.504 1.00 72.10 H new ATOM 0 HD22 LEU A 28 4.434 0.711 2.147 1.00 72.10 H new ATOM 0 HD23 LEU A 28 4.977 0.118 0.559 1.00 72.10 H new ATOM 359 N ARG A 29 9.513 0.938 4.281 1.00 5.14 N ATOM 360 CA ARG A 29 10.950 1.207 4.219 1.00 45.21 C ATOM 361 C ARG A 29 11.673 -0.126 4.392 1.00 3.32 C ATOM 362 O ARG A 29 11.023 -1.136 4.666 1.00 11.45 O ATOM 363 CB ARG A 29 11.387 2.257 5.268 1.00 63.52 C ATOM 364 CG ARG A 29 10.476 3.497 5.289 1.00 12.12 C ATOM 365 CD ARG A 29 10.979 4.680 6.119 1.00 41.15 C ATOM 366 NE ARG A 29 12.293 5.172 5.682 1.00 25.30 N ATOM 367 CZ ARG A 29 13.016 6.089 6.340 1.00 33.31 C ATOM 368 NH1 ARG A 29 12.526 6.741 7.388 1.00 43.43 N ATOM 369 NH2 ARG A 29 14.262 6.312 5.960 1.00 50.21 N ATOM 0 H ARG A 29 9.261 0.264 5.004 1.00 5.14 H new ATOM 0 HA ARG A 29 11.211 1.645 3.255 1.00 45.21 H new ATOM 0 HB2 ARG A 29 11.389 1.797 6.256 1.00 63.52 H new ATOM 0 HB3 ARG A 29 12.411 2.568 5.059 1.00 63.52 H new ATOM 0 HG2 ARG A 29 10.329 3.834 4.263 1.00 12.12 H new ATOM 0 HG3 ARG A 29 9.499 3.200 5.670 1.00 12.12 H new ATOM 0 HD2 ARG A 29 10.255 5.493 6.059 1.00 41.15 H new ATOM 0 HD3 ARG A 29 11.039 4.383 7.166 1.00 41.15 H new ATOM 0 HE ARG A 29 12.681 4.790 4.820 1.00 25.30 H new ATOM 0 HH11 ARG A 29 11.578 6.549 7.710 1.00 43.43 H new ATOM 0 HH12 ARG A 29 13.098 7.434 7.871 1.00 43.43 H new ATOM 0 HH21 ARG A 29 14.658 5.790 5.178 1.00 50.21 H new ATOM 0 HH22 ARG A 29 14.828 7.006 6.449 1.00 50.21 H new ATOM 380 N ASN A 30 12.999 -0.126 4.275 1.00 21.31 N ATOM 381 CA ASN A 30 13.852 -1.314 4.235 1.00 70.41 C ATOM 382 C ASN A 30 13.326 -2.321 3.206 1.00 12.23 C ATOM 383 O ASN A 30 12.798 -3.384 3.533 1.00 22.35 O ATOM 384 CB ASN A 30 14.089 -1.897 5.635 1.00 64.50 C ATOM 385 CG ASN A 30 15.302 -2.817 5.597 1.00 43.01 C ATOM 386 OD1 ASN A 30 16.435 -2.349 5.626 1.00 73.52 O ATOM 387 ND2 ASN A 30 15.113 -4.118 5.511 1.00 71.14 N ATOM 0 H ASN A 30 13.533 0.740 4.202 1.00 21.31 H new ATOM 0 HA ASN A 30 14.845 -1.025 3.890 1.00 70.41 H new ATOM 0 HB2 ASN A 30 14.250 -1.094 6.354 1.00 64.50 H new ATOM 0 HB3 ASN A 30 13.209 -2.449 5.965 1.00 64.50 H new ATOM 0 HD21 ASN A 30 15.914 -4.748 5.468 1.00 71.14 H new ATOM 0 HD22 ASN A 30 14.166 -4.495 5.488 1.00 71.14 H new ATOM 393 N LEU A 31 13.386 -1.932 1.931 1.00 32.55 N ATOM 394 CA LEU A 31 12.968 -2.754 0.798 1.00 23.34 C ATOM 395 C LEU A 31 14.151 -2.975 -0.134 1.00 42.44 C ATOM 396 O LEU A 31 14.964 -2.062 -0.291 1.00 15.44 O ATOM 397 CB LEU A 31 11.789 -2.085 0.078 1.00 22.24 C ATOM 398 CG LEU A 31 10.501 -2.087 0.920 1.00 23.44 C ATOM 399 CD1 LEU A 31 9.372 -1.436 0.138 1.00 4.42 C ATOM 400 CD2 LEU A 31 10.065 -3.508 1.266 1.00 3.41 C ATOM 0 H LEU A 31 13.735 -1.015 1.653 1.00 32.55 H new ATOM 0 HA LEU A 31 12.630 -3.730 1.148 1.00 23.34 H new ATOM 0 HB2 LEU A 31 12.055 -1.057 -0.169 1.00 22.24 H new ATOM 0 HB3 LEU A 31 11.603 -2.601 -0.864 1.00 22.24 H new ATOM 0 HG LEU A 31 10.711 -1.536 1.837 1.00 23.44 H new ATOM 0 HD11 LEU A 31 8.463 -1.441 0.739 1.00 4.42 H new ATOM 0 HD12 LEU A 31 9.642 -0.408 -0.103 1.00 4.42 H new ATOM 0 HD13 LEU A 31 9.200 -1.992 -0.784 1.00 4.42 H new ATOM 0 HD21 LEU A 31 9.152 -3.474 1.861 1.00 3.41 H new ATOM 0 HD22 LEU A 31 9.879 -4.065 0.348 1.00 3.41 H new ATOM 0 HD23 LEU A 31 10.852 -4.001 1.837 1.00 3.41 H new ATOM 411 N ASN A 32 14.236 -4.147 -0.777 1.00 72.42 N ATOM 412 CA ASN A 32 15.366 -4.442 -1.658 1.00 64.32 C ATOM 413 C ASN A 32 14.962 -4.086 -3.084 1.00 51.42 C ATOM 414 O ASN A 32 13.761 -4.094 -3.374 1.00 53.42 O ATOM 415 CB ASN A 32 15.755 -5.927 -1.543 1.00 13.23 C ATOM 416 CG ASN A 32 16.912 -6.124 -0.563 1.00 75.51 C ATOM 417 OD1 ASN A 32 16.970 -5.478 0.479 1.00 40.43 O ATOM 418 ND2 ASN A 32 17.811 -7.050 -0.850 1.00 41.02 N ATOM 0 H ASN A 32 13.545 -4.894 -0.704 1.00 72.42 H new ATOM 0 HA ASN A 32 16.238 -3.854 -1.371 1.00 64.32 H new ATOM 0 HB2 ASN A 32 14.893 -6.506 -1.212 1.00 13.23 H new ATOM 0 HB3 ASN A 32 16.038 -6.308 -2.524 1.00 13.23 H new ATOM 0 HD21 ASN A 32 18.573 -7.240 -0.199 1.00 41.02 H new ATOM 0 HD22 ASN A 32 17.742 -7.574 -1.722 1.00 41.02 H new ATOM 424 N PRO A 33 15.909 -3.848 -4.008 1.00 33.33 N ATOM 425 CA PRO A 33 15.580 -3.518 -5.386 1.00 52.30 C ATOM 426 C PRO A 33 14.770 -4.633 -6.052 1.00 42.01 C ATOM 427 O PRO A 33 13.994 -4.347 -6.963 1.00 14.25 O ATOM 428 CB PRO A 33 16.906 -3.227 -6.099 1.00 51.21 C ATOM 429 CG PRO A 33 18.018 -3.678 -5.151 1.00 41.44 C ATOM 430 CD PRO A 33 17.346 -3.861 -3.793 1.00 1.11 C ATOM 0 HA PRO A 33 14.936 -2.640 -5.440 1.00 52.30 H new ATOM 0 HB2 PRO A 33 16.963 -3.763 -7.046 1.00 51.21 H new ATOM 0 HB3 PRO A 33 16.998 -2.165 -6.328 1.00 51.21 H new ATOM 0 HG2 PRO A 33 18.472 -4.608 -5.493 1.00 41.44 H new ATOM 0 HG3 PRO A 33 18.814 -2.935 -5.098 1.00 41.44 H new ATOM 0 HD2 PRO A 33 17.656 -4.801 -3.336 1.00 1.11 H new ATOM 0 HD3 PRO A 33 17.638 -3.063 -3.111 1.00 1.11 H new ATOM 435 N HIS A 34 14.889 -5.869 -5.553 1.00 60.53 N ATOM 436 CA HIS A 34 14.222 -7.055 -6.068 1.00 63.33 C ATOM 437 C HIS A 34 13.034 -7.514 -5.215 1.00 15.42 C ATOM 438 O HIS A 34 12.425 -8.527 -5.560 1.00 35.21 O ATOM 439 CB HIS A 34 15.261 -8.187 -6.150 1.00 40.24 C ATOM 440 CG HIS A 34 16.347 -7.941 -7.164 1.00 13.01 C ATOM 441 ND1 HIS A 34 16.457 -8.578 -8.379 1.00 55.11 N ATOM 442 CD2 HIS A 34 17.401 -7.076 -7.043 1.00 71.40 C ATOM 443 CE1 HIS A 34 17.533 -8.080 -9.008 1.00 20.23 C ATOM 444 NE2 HIS A 34 18.145 -7.172 -8.225 1.00 42.13 N ATOM 0 H HIS A 34 15.479 -6.071 -4.746 1.00 60.53 H new ATOM 0 HA HIS A 34 13.813 -6.804 -7.046 1.00 63.33 H new ATOM 0 HB2 HIS A 34 15.716 -8.322 -5.169 1.00 40.24 H new ATOM 0 HB3 HIS A 34 14.751 -9.119 -6.396 1.00 40.24 H new ATOM 0 HD2 HIS A 34 17.617 -6.441 -6.197 1.00 71.40 H new ATOM 0 HE1 HIS A 34 17.860 -8.366 -9.997 1.00 20.23 H new ATOM 0 HE2 HIS A 34 18.992 -6.651 -8.451 1.00 42.13 H new ATOM 451 N SER A 35 12.704 -6.865 -4.087 1.00 14.31 N ATOM 452 CA SER A 35 11.681 -7.397 -3.213 1.00 12.11 C ATOM 453 C SER A 35 10.302 -7.228 -3.843 1.00 53.11 C ATOM 454 O SER A 35 10.105 -6.380 -4.711 1.00 74.23 O ATOM 455 CB SER A 35 11.806 -6.841 -1.801 1.00 44.30 C ATOM 456 OG SER A 35 11.691 -5.440 -1.660 1.00 62.54 O ATOM 0 H SER A 35 13.128 -5.991 -3.775 1.00 14.31 H new ATOM 0 HA SER A 35 11.827 -8.471 -3.099 1.00 12.11 H new ATOM 0 HB2 SER A 35 11.041 -7.310 -1.182 1.00 44.30 H new ATOM 0 HB3 SER A 35 12.772 -7.146 -1.399 1.00 44.30 H new ATOM 0 HG SER A 35 12.323 -4.997 -2.265 1.00 62.54 H new ATOM 461 N THR A 36 9.332 -7.979 -3.355 1.00 72.11 N ATOM 462 CA THR A 36 7.995 -8.034 -3.934 1.00 24.32 C ATOM 463 C THR A 36 6.946 -7.516 -2.970 1.00 54.02 C ATOM 464 O THR A 36 7.119 -7.557 -1.745 1.00 73.14 O ATOM 465 CB THR A 36 7.669 -9.446 -4.453 1.00 42.24 C ATOM 466 OG1 THR A 36 8.134 -10.473 -3.597 1.00 62.50 O ATOM 467 CG2 THR A 36 8.255 -9.610 -5.848 1.00 73.44 C ATOM 0 H THR A 36 9.448 -8.576 -2.536 1.00 72.11 H new ATOM 0 HA THR A 36 7.979 -7.367 -4.796 1.00 24.32 H new ATOM 0 HB THR A 36 6.584 -9.545 -4.483 1.00 42.24 H new ATOM 0 HG1 THR A 36 7.898 -11.346 -3.975 1.00 62.50 H new ATOM 0 HG21 THR A 36 8.028 -10.608 -6.223 1.00 73.44 H new ATOM 0 HG22 THR A 36 7.821 -8.865 -6.515 1.00 73.44 H new ATOM 0 HG23 THR A 36 9.336 -9.475 -5.807 1.00 73.44 H new ATOM 475 N MET A 37 5.837 -7.046 -3.541 1.00 35.52 N ATOM 476 CA MET A 37 4.706 -6.488 -2.831 1.00 11.24 C ATOM 477 C MET A 37 3.966 -7.547 -2.033 1.00 75.24 C ATOM 478 O MET A 37 3.184 -7.211 -1.149 1.00 51.00 O ATOM 479 CB MET A 37 3.775 -5.832 -3.844 1.00 61.13 C ATOM 480 CG MET A 37 2.963 -6.836 -4.673 1.00 52.40 C ATOM 481 SD MET A 37 2.232 -6.108 -6.160 1.00 63.22 S ATOM 482 CE MET A 37 1.362 -4.687 -5.474 1.00 20.21 C ATOM 0 H MET A 37 5.705 -7.048 -4.552 1.00 35.52 H new ATOM 0 HA MET A 37 5.065 -5.747 -2.116 1.00 11.24 H new ATOM 0 HB2 MET A 37 3.088 -5.169 -3.318 1.00 61.13 H new ATOM 0 HB3 MET A 37 4.365 -5.210 -4.518 1.00 61.13 H new ATOM 0 HG2 MET A 37 3.609 -7.665 -4.962 1.00 52.40 H new ATOM 0 HG3 MET A 37 2.169 -7.252 -4.052 1.00 52.40 H new ATOM 0 HE1 MET A 37 0.878 -4.133 -6.279 1.00 20.21 H new ATOM 0 HE2 MET A 37 0.608 -5.029 -4.765 1.00 20.21 H new ATOM 0 HE3 MET A 37 2.072 -4.038 -4.963 1.00 20.21 H new ATOM 490 N ASP A 38 4.222 -8.816 -2.356 1.00 40.23 N ATOM 491 CA ASP A 38 3.586 -9.954 -1.736 1.00 3.44 C ATOM 492 C ASP A 38 3.814 -9.917 -0.233 1.00 71.10 C ATOM 493 O ASP A 38 2.912 -10.283 0.510 1.00 1.31 O ATOM 494 CB ASP A 38 4.149 -11.266 -2.294 1.00 20.05 C ATOM 495 CG ASP A 38 3.488 -11.667 -3.600 1.00 62.11 C ATOM 496 OD1 ASP A 38 2.257 -11.881 -3.586 1.00 44.12 O ATOM 497 OD2 ASP A 38 4.208 -11.735 -4.623 1.00 31.21 O ATOM 0 H ASP A 38 4.897 -9.075 -3.076 1.00 40.23 H new ATOM 0 HA ASP A 38 2.519 -9.906 -1.953 1.00 3.44 H new ATOM 0 HB2 ASP A 38 5.223 -11.161 -2.450 1.00 20.05 H new ATOM 0 HB3 ASP A 38 4.010 -12.060 -1.560 1.00 20.05 H new ATOM 501 N SER A 39 4.986 -9.454 0.221 1.00 41.34 N ATOM 502 CA SER A 39 5.280 -9.251 1.632 1.00 55.41 C ATOM 503 C SER A 39 4.169 -8.452 2.303 1.00 20.13 C ATOM 504 O SER A 39 3.558 -8.939 3.255 1.00 44.13 O ATOM 505 CB SER A 39 6.671 -8.627 1.820 1.00 43.42 C ATOM 506 OG SER A 39 6.890 -7.514 0.967 1.00 14.25 O ATOM 0 H SER A 39 5.761 -9.209 -0.395 1.00 41.34 H new ATOM 0 HA SER A 39 5.311 -10.220 2.130 1.00 55.41 H new ATOM 0 HB2 SER A 39 6.787 -8.313 2.857 1.00 43.42 H new ATOM 0 HB3 SER A 39 7.433 -9.382 1.628 1.00 43.42 H new ATOM 0 HG SER A 39 7.059 -7.829 0.055 1.00 14.25 H new ATOM 511 N ILE A 40 3.868 -7.273 1.763 1.00 41.40 N ATOM 512 CA ILE A 40 2.860 -6.372 2.284 1.00 12.02 C ATOM 513 C ILE A 40 1.477 -7.012 2.169 1.00 55.13 C ATOM 514 O ILE A 40 0.757 -7.070 3.166 1.00 51.42 O ATOM 515 CB ILE A 40 2.918 -5.008 1.562 1.00 61.32 C ATOM 516 CG1 ILE A 40 4.323 -4.365 1.527 1.00 21.25 C ATOM 517 CG2 ILE A 40 1.971 -3.997 2.223 1.00 71.20 C ATOM 518 CD1 ILE A 40 5.101 -4.675 0.250 1.00 3.14 C ATOM 0 H ILE A 40 4.334 -6.915 0.930 1.00 41.40 H new ATOM 0 HA ILE A 40 3.061 -6.188 3.339 1.00 12.02 H new ATOM 0 HB ILE A 40 2.620 -5.232 0.538 1.00 61.32 H new ATOM 0 HG12 ILE A 40 4.222 -3.284 1.629 1.00 21.25 H new ATOM 0 HG13 ILE A 40 4.896 -4.714 2.386 1.00 21.25 H new ATOM 0 HG21 ILE A 40 2.030 -3.045 1.696 1.00 71.20 H new ATOM 0 HG22 ILE A 40 0.949 -4.373 2.179 1.00 71.20 H new ATOM 0 HG23 ILE A 40 2.260 -3.854 3.264 1.00 71.20 H new ATOM 0 HD11 ILE A 40 6.077 -4.193 0.293 1.00 3.14 H new ATOM 0 HD12 ILE A 40 5.233 -5.753 0.157 1.00 3.14 H new ATOM 0 HD13 ILE A 40 4.549 -4.301 -0.612 1.00 3.14 H new ATOM 529 N LEU A 41 1.110 -7.483 0.969 1.00 20.13 N ATOM 530 CA LEU A 41 -0.218 -8.035 0.721 1.00 24.41 C ATOM 531 C LEU A 41 -0.487 -9.167 1.698 1.00 41.10 C ATOM 532 O LEU A 41 -1.426 -9.096 2.478 1.00 15.25 O ATOM 533 CB LEU A 41 -0.384 -8.511 -0.730 1.00 15.24 C ATOM 534 CG LEU A 41 -0.618 -7.376 -1.738 1.00 64.14 C ATOM 535 CD1 LEU A 41 -0.645 -7.952 -3.154 1.00 55.12 C ATOM 536 CD2 LEU A 41 -1.948 -6.641 -1.518 1.00 72.44 C ATOM 0 H LEU A 41 1.723 -7.490 0.154 1.00 20.13 H new ATOM 0 HA LEU A 41 -0.950 -7.242 0.875 1.00 24.41 H new ATOM 0 HB2 LEU A 41 0.507 -9.066 -1.024 1.00 15.24 H new ATOM 0 HB3 LEU A 41 -1.222 -9.206 -0.780 1.00 15.24 H new ATOM 0 HG LEU A 41 0.197 -6.666 -1.597 1.00 64.14 H new ATOM 0 HD11 LEU A 41 -0.811 -7.148 -3.871 1.00 55.12 H new ATOM 0 HD12 LEU A 41 0.307 -8.438 -3.367 1.00 55.12 H new ATOM 0 HD13 LEU A 41 -1.451 -8.682 -3.235 1.00 55.12 H new ATOM 0 HD21 LEU A 41 -2.054 -5.851 -2.261 1.00 72.44 H new ATOM 0 HD22 LEU A 41 -2.774 -7.346 -1.617 1.00 72.44 H new ATOM 0 HD23 LEU A 41 -1.961 -6.204 -0.520 1.00 72.44 H new ATOM 547 N GLY A 42 0.357 -10.195 1.698 1.00 43.10 N ATOM 548 CA GLY A 42 0.171 -11.349 2.552 1.00 34.45 C ATOM 549 C GLY A 42 0.391 -11.053 4.030 1.00 14.25 C ATOM 550 O GLY A 42 0.028 -11.903 4.843 1.00 51.53 O ATOM 0 H GLY A 42 1.185 -10.245 1.105 1.00 43.10 H new ATOM 0 HA2 GLY A 42 -0.839 -11.735 2.413 1.00 34.45 H new ATOM 0 HA3 GLY A 42 0.858 -12.136 2.241 1.00 34.45 H new ATOM 554 N ALA A 43 0.967 -9.908 4.408 1.00 54.42 N ATOM 555 CA ALA A 43 1.018 -9.472 5.793 1.00 11.41 C ATOM 556 C ALA A 43 -0.361 -8.967 6.219 1.00 44.14 C ATOM 557 O ALA A 43 -0.880 -9.433 7.233 1.00 63.20 O ATOM 558 CB ALA A 43 2.094 -8.393 5.990 1.00 11.42 C ATOM 0 H ALA A 43 1.410 -9.261 3.755 1.00 54.42 H new ATOM 0 HA ALA A 43 1.291 -10.318 6.424 1.00 11.41 H new ATOM 0 HB1 ALA A 43 2.112 -8.084 7.035 1.00 11.42 H new ATOM 0 HB2 ALA A 43 3.068 -8.796 5.714 1.00 11.42 H new ATOM 0 HB3 ALA A 43 1.866 -7.533 5.361 1.00 11.42 H new ATOM 564 N LEU A 44 -0.925 -7.997 5.486 1.00 43.40 N ATOM 565 CA LEU A 44 -2.079 -7.218 5.948 1.00 64.12 C ATOM 566 C LEU A 44 -3.393 -7.655 5.306 1.00 41.31 C ATOM 567 O LEU A 44 -4.438 -7.111 5.653 1.00 41.54 O ATOM 568 CB LEU A 44 -1.846 -5.704 5.757 1.00 31.12 C ATOM 569 CG LEU A 44 -0.748 -5.043 6.620 1.00 61.20 C ATOM 570 CD1 LEU A 44 -0.508 -5.740 7.968 1.00 64.40 C ATOM 571 CD2 LEU A 44 0.574 -4.897 5.861 1.00 34.42 C ATOM 0 H LEU A 44 -0.594 -7.732 4.558 1.00 43.40 H new ATOM 0 HA LEU A 44 -2.174 -7.421 7.015 1.00 64.12 H new ATOM 0 HB2 LEU A 44 -1.602 -5.530 4.709 1.00 31.12 H new ATOM 0 HB3 LEU A 44 -2.786 -5.190 5.955 1.00 31.12 H new ATOM 0 HG LEU A 44 -1.138 -4.050 6.843 1.00 61.20 H new ATOM 0 HD11 LEU A 44 0.277 -5.216 8.514 1.00 64.40 H new ATOM 0 HD12 LEU A 44 -1.428 -5.727 8.553 1.00 64.40 H new ATOM 0 HD13 LEU A 44 -0.203 -6.772 7.795 1.00 64.40 H new ATOM 0 HD21 LEU A 44 1.315 -4.428 6.508 1.00 34.42 H new ATOM 0 HD22 LEU A 44 0.930 -5.881 5.557 1.00 34.42 H new ATOM 0 HD23 LEU A 44 0.420 -4.278 4.977 1.00 34.42 H new ATOM 582 N ALA A 45 -3.380 -8.648 4.417 1.00 65.41 N ATOM 583 CA ALA A 45 -4.565 -9.212 3.771 1.00 11.41 C ATOM 584 C ALA A 45 -5.748 -9.484 4.721 1.00 25.05 C ATOM 585 O ALA A 45 -6.871 -9.154 4.335 1.00 31.05 O ATOM 586 CB ALA A 45 -4.172 -10.470 2.990 1.00 74.43 C ATOM 0 H ALA A 45 -2.515 -9.097 4.117 1.00 65.41 H new ATOM 0 HA ALA A 45 -4.938 -8.449 3.088 1.00 11.41 H new ATOM 0 HB1 ALA A 45 -5.055 -10.890 2.509 1.00 74.43 H new ATOM 0 HB2 ALA A 45 -3.434 -10.211 2.231 1.00 74.43 H new ATOM 0 HB3 ALA A 45 -3.747 -11.205 3.674 1.00 74.43 H new ATOM 592 N PRO A 46 -5.565 -10.048 5.931 1.00 43.12 N ATOM 593 CA PRO A 46 -6.662 -10.226 6.876 1.00 44.21 C ATOM 594 C PRO A 46 -6.950 -9.034 7.792 1.00 4.53 C ATOM 595 O PRO A 46 -8.002 -9.003 8.438 1.00 1.52 O ATOM 596 CB PRO A 46 -6.246 -11.447 7.697 1.00 44.40 C ATOM 597 CG PRO A 46 -4.731 -11.330 7.753 1.00 70.32 C ATOM 598 CD PRO A 46 -4.386 -10.767 6.386 1.00 3.52 C ATOM 0 HA PRO A 46 -7.598 -10.341 6.330 1.00 44.21 H new ATOM 0 HB2 PRO A 46 -6.688 -11.432 8.693 1.00 44.40 H new ATOM 0 HB3 PRO A 46 -6.561 -12.377 7.223 1.00 44.40 H new ATOM 0 HG2 PRO A 46 -4.406 -10.669 8.556 1.00 70.32 H new ATOM 0 HG3 PRO A 46 -4.257 -12.296 7.924 1.00 70.32 H new ATOM 0 HD2 PRO A 46 -3.524 -10.102 6.446 1.00 3.52 H new ATOM 0 HD3 PRO A 46 -4.125 -11.565 5.691 1.00 3.52 H new ATOM 603 N TYR A 47 -6.043 -8.064 7.860 1.00 22.02 N ATOM 604 CA TYR A 47 -6.040 -6.962 8.813 1.00 3.21 C ATOM 605 C TYR A 47 -6.415 -5.644 8.135 1.00 43.51 C ATOM 606 O TYR A 47 -6.308 -4.574 8.741 1.00 13.12 O ATOM 607 CB TYR A 47 -4.671 -6.919 9.514 1.00 74.42 C ATOM 608 CG TYR A 47 -4.218 -8.253 10.098 1.00 41.40 C ATOM 609 CD1 TYR A 47 -5.143 -9.106 10.739 1.00 4.55 C ATOM 610 CD2 TYR A 47 -2.879 -8.671 9.959 1.00 61.21 C ATOM 611 CE1 TYR A 47 -4.733 -10.353 11.243 1.00 72.04 C ATOM 612 CE2 TYR A 47 -2.461 -9.911 10.478 1.00 11.14 C ATOM 613 CZ TYR A 47 -3.388 -10.758 11.130 1.00 24.42 C ATOM 614 OH TYR A 47 -3.008 -11.965 11.632 1.00 21.44 O ATOM 0 H TYR A 47 -5.251 -8.025 7.219 1.00 22.02 H new ATOM 0 HA TYR A 47 -6.803 -7.121 9.575 1.00 3.21 H new ATOM 0 HB2 TYR A 47 -3.922 -6.576 8.800 1.00 74.42 H new ATOM 0 HB3 TYR A 47 -4.710 -6.181 10.315 1.00 74.42 H new ATOM 0 HD1 TYR A 47 -6.173 -8.798 10.843 1.00 4.55 H new ATOM 0 HD2 TYR A 47 -2.169 -8.036 9.451 1.00 61.21 H new ATOM 0 HE1 TYR A 47 -5.452 -11.003 11.719 1.00 72.04 H new ATOM 0 HE2 TYR A 47 -1.430 -10.217 10.378 1.00 11.14 H new ATOM 0 HH TYR A 47 -2.050 -12.098 11.474 1.00 21.44 H new ATOM 623 N ALA A 48 -6.834 -5.712 6.872 1.00 61.42 N ATOM 624 CA ALA A 48 -7.246 -4.573 6.071 1.00 62.01 C ATOM 625 C ALA A 48 -8.085 -5.035 4.890 1.00 13.51 C ATOM 626 O ALA A 48 -8.102 -6.229 4.593 1.00 11.32 O ATOM 627 CB ALA A 48 -6.006 -3.826 5.578 1.00 43.24 C ATOM 0 H ALA A 48 -6.896 -6.595 6.366 1.00 61.42 H new ATOM 0 HA ALA A 48 -7.852 -3.904 6.682 1.00 62.01 H new ATOM 0 HB1 ALA A 48 -6.312 -2.970 4.976 1.00 43.24 H new ATOM 0 HB2 ALA A 48 -5.426 -3.479 6.433 1.00 43.24 H new ATOM 0 HB3 ALA A 48 -5.395 -4.495 4.973 1.00 43.24 H new ATOM 633 N VAL A 49 -8.742 -4.103 4.194 1.00 30.21 N ATOM 634 CA VAL A 49 -9.605 -4.394 3.055 1.00 61.03 C ATOM 635 C VAL A 49 -9.033 -3.678 1.831 1.00 24.24 C ATOM 636 O VAL A 49 -9.404 -2.552 1.486 1.00 73.51 O ATOM 637 CB VAL A 49 -11.094 -4.173 3.413 1.00 23.31 C ATOM 638 CG1 VAL A 49 -11.493 -2.714 3.652 1.00 1.33 C ATOM 639 CG2 VAL A 49 -12.025 -4.794 2.366 1.00 34.14 C ATOM 0 H VAL A 49 -8.685 -3.108 4.413 1.00 30.21 H new ATOM 0 HA VAL A 49 -9.610 -5.449 2.779 1.00 61.03 H new ATOM 0 HB VAL A 49 -11.213 -4.683 4.369 1.00 23.31 H new ATOM 0 HG11 VAL A 49 -12.554 -2.662 3.896 1.00 1.33 H new ATOM 0 HG12 VAL A 49 -10.910 -2.308 4.479 1.00 1.33 H new ATOM 0 HG13 VAL A 49 -11.299 -2.132 2.751 1.00 1.33 H new ATOM 0 HG21 VAL A 49 -13.062 -4.618 2.652 1.00 34.14 H new ATOM 0 HG22 VAL A 49 -11.834 -4.339 1.394 1.00 34.14 H new ATOM 0 HG23 VAL A 49 -11.842 -5.867 2.307 1.00 34.14 H new ATOM 649 N LEU A 50 -8.036 -4.303 1.206 1.00 60.20 N ATOM 650 CA LEU A 50 -7.360 -3.796 0.018 1.00 24.44 C ATOM 651 C LEU A 50 -6.753 -4.919 -0.822 1.00 4.13 C ATOM 652 O LEU A 50 -6.822 -6.100 -0.470 1.00 73.10 O ATOM 653 CB LEU A 50 -6.315 -2.729 0.387 1.00 55.11 C ATOM 654 CG LEU A 50 -5.409 -3.008 1.600 1.00 32.53 C ATOM 655 CD1 LEU A 50 -3.930 -2.821 1.260 1.00 52.20 C ATOM 656 CD2 LEU A 50 -5.742 -2.014 2.709 1.00 73.14 C ATOM 0 H LEU A 50 -7.668 -5.200 1.523 1.00 60.20 H new ATOM 0 HA LEU A 50 -8.115 -3.316 -0.605 1.00 24.44 H new ATOM 0 HB2 LEU A 50 -5.675 -2.571 -0.481 1.00 55.11 H new ATOM 0 HB3 LEU A 50 -6.841 -1.792 0.569 1.00 55.11 H new ATOM 0 HG LEU A 50 -5.582 -4.040 1.906 1.00 32.53 H new ATOM 0 HD11 LEU A 50 -3.325 -3.027 2.143 1.00 52.20 H new ATOM 0 HD12 LEU A 50 -3.651 -3.507 0.460 1.00 52.20 H new ATOM 0 HD13 LEU A 50 -3.758 -1.795 0.934 1.00 52.20 H new ATOM 0 HD21 LEU A 50 -5.104 -2.205 3.572 1.00 73.14 H new ATOM 0 HD22 LEU A 50 -5.573 -0.999 2.350 1.00 73.14 H new ATOM 0 HD23 LEU A 50 -6.787 -2.127 2.998 1.00 73.14 H new ATOM 667 N SER A 51 -6.192 -4.538 -1.967 1.00 43.01 N ATOM 668 CA SER A 51 -5.590 -5.381 -2.988 1.00 54.43 C ATOM 669 C SER A 51 -4.367 -4.635 -3.522 1.00 21.11 C ATOM 670 O SER A 51 -4.004 -3.558 -3.034 1.00 20.32 O ATOM 671 CB SER A 51 -6.624 -5.654 -4.101 1.00 72.42 C ATOM 672 OG SER A 51 -6.242 -6.714 -4.961 1.00 55.12 O ATOM 0 H SER A 51 -6.145 -3.551 -2.222 1.00 43.01 H new ATOM 0 HA SER A 51 -5.282 -6.347 -2.588 1.00 54.43 H new ATOM 0 HB2 SER A 51 -7.586 -5.891 -3.646 1.00 72.42 H new ATOM 0 HB3 SER A 51 -6.764 -4.748 -4.690 1.00 72.42 H new ATOM 0 HG SER A 51 -5.908 -6.346 -5.806 1.00 55.12 H new ATOM 677 N SER A 52 -3.758 -5.191 -4.564 1.00 31.35 N ATOM 678 CA SER A 52 -2.549 -4.729 -5.229 1.00 75.31 C ATOM 679 C SER A 52 -2.632 -3.306 -5.801 1.00 73.30 C ATOM 680 O SER A 52 -1.611 -2.801 -6.270 1.00 1.42 O ATOM 681 CB SER A 52 -2.231 -5.746 -6.336 1.00 62.50 C ATOM 682 OG SER A 52 -3.386 -6.055 -7.112 1.00 40.24 O ATOM 0 H SER A 52 -4.125 -6.039 -4.996 1.00 31.35 H new ATOM 0 HA SER A 52 -1.755 -4.667 -4.485 1.00 75.31 H new ATOM 0 HB2 SER A 52 -1.452 -5.346 -6.985 1.00 62.50 H new ATOM 0 HB3 SER A 52 -1.837 -6.659 -5.890 1.00 62.50 H new ATOM 0 HG SER A 52 -3.149 -6.703 -7.808 1.00 40.24 H new ATOM 687 N SER A 53 -3.809 -2.672 -5.800 1.00 24.23 N ATOM 688 CA SER A 53 -3.966 -1.293 -6.230 1.00 74.12 C ATOM 689 C SER A 53 -3.404 -0.329 -5.175 1.00 21.12 C ATOM 690 O SER A 53 -2.675 0.605 -5.513 1.00 23.12 O ATOM 691 CB SER A 53 -5.434 -1.023 -6.553 1.00 35.32 C ATOM 692 OG SER A 53 -5.578 0.172 -7.291 1.00 73.10 O ATOM 0 H SER A 53 -4.679 -3.110 -5.498 1.00 24.23 H new ATOM 0 HA SER A 53 -3.391 -1.122 -7.140 1.00 74.12 H new ATOM 0 HB2 SER A 53 -5.844 -1.857 -7.122 1.00 35.32 H new ATOM 0 HB3 SER A 53 -6.007 -0.955 -5.628 1.00 35.32 H new ATOM 0 HG SER A 53 -6.526 0.323 -7.487 1.00 73.10 H new ATOM 697 N ASN A 54 -3.736 -0.563 -3.900 1.00 0.31 N ATOM 698 CA ASN A 54 -3.422 0.318 -2.770 1.00 0.42 C ATOM 699 C ASN A 54 -1.925 0.341 -2.493 1.00 4.44 C ATOM 700 O ASN A 54 -1.363 1.382 -2.154 1.00 55.43 O ATOM 701 CB ASN A 54 -4.118 -0.198 -1.497 1.00 35.43 C ATOM 702 CG ASN A 54 -5.637 -0.145 -1.558 1.00 3.42 C ATOM 703 OD1 ASN A 54 -6.255 -0.930 -2.280 1.00 63.41 O ATOM 704 ND2 ASN A 54 -6.260 0.672 -0.725 1.00 72.14 N ATOM 0 H ASN A 54 -4.248 -1.399 -3.618 1.00 0.31 H new ATOM 0 HA ASN A 54 -3.767 1.319 -3.029 1.00 0.42 H new ATOM 0 HB2 ASN A 54 -3.807 -1.227 -1.317 1.00 35.43 H new ATOM 0 HB3 ASN A 54 -3.778 0.391 -0.645 1.00 35.43 H new ATOM 0 HD21 ASN A 54 -7.278 0.663 -0.668 1.00 72.14 H new ATOM 0 HD22 ASN A 54 -5.722 1.311 -0.140 1.00 72.14 H new ATOM 710 N VAL A 55 -1.302 -0.837 -2.552 1.00 42.43 N ATOM 711 CA VAL A 55 0.097 -1.091 -2.235 1.00 55.40 C ATOM 712 C VAL A 55 0.962 -0.715 -3.444 1.00 3.35 C ATOM 713 O VAL A 55 1.394 -1.540 -4.252 1.00 51.34 O ATOM 714 CB VAL A 55 0.256 -2.539 -1.741 1.00 52.34 C ATOM 715 CG1 VAL A 55 -0.386 -3.547 -2.687 1.00 63.24 C ATOM 716 CG2 VAL A 55 1.724 -2.861 -1.440 1.00 20.13 C ATOM 0 H VAL A 55 -1.791 -1.685 -2.839 1.00 42.43 H new ATOM 0 HA VAL A 55 0.448 -0.466 -1.414 1.00 55.40 H new ATOM 0 HB VAL A 55 -0.290 -2.627 -0.802 1.00 52.34 H new ATOM 0 HG11 VAL A 55 -0.247 -4.554 -2.294 1.00 63.24 H new ATOM 0 HG12 VAL A 55 -1.452 -3.336 -2.775 1.00 63.24 H new ATOM 0 HG13 VAL A 55 0.081 -3.473 -3.669 1.00 63.24 H new ATOM 0 HG21 VAL A 55 1.807 -3.891 -1.093 1.00 20.13 H new ATOM 0 HG22 VAL A 55 2.317 -2.735 -2.346 1.00 20.13 H new ATOM 0 HG23 VAL A 55 2.093 -2.187 -0.667 1.00 20.13 H new ATOM 726 N ARG A 56 1.194 0.576 -3.597 1.00 41.03 N ATOM 727 CA ARG A 56 1.754 1.118 -4.824 1.00 12.31 C ATOM 728 C ARG A 56 3.272 1.083 -4.765 1.00 72.24 C ATOM 729 O ARG A 56 3.909 1.874 -4.066 1.00 24.43 O ATOM 730 CB ARG A 56 1.153 2.499 -5.088 1.00 52.21 C ATOM 731 CG ARG A 56 1.341 2.995 -6.524 1.00 62.33 C ATOM 732 CD ARG A 56 0.642 2.076 -7.539 1.00 43.01 C ATOM 733 NE ARG A 56 1.625 1.372 -8.379 1.00 72.20 N ATOM 734 CZ ARG A 56 1.605 0.096 -8.768 1.00 54.21 C ATOM 735 NH1 ARG A 56 0.529 -0.646 -8.544 1.00 51.31 N ATOM 736 NH2 ARG A 56 2.677 -0.428 -9.357 1.00 35.11 N ATOM 0 H ARG A 56 1.001 1.275 -2.880 1.00 41.03 H new ATOM 0 HA ARG A 56 1.487 0.504 -5.684 1.00 12.31 H new ATOM 0 HB2 ARG A 56 0.087 2.470 -4.861 1.00 52.21 H new ATOM 0 HB3 ARG A 56 1.605 3.217 -4.404 1.00 52.21 H new ATOM 0 HG2 ARG A 56 0.944 4.006 -6.615 1.00 62.33 H new ATOM 0 HG3 ARG A 56 2.405 3.049 -6.754 1.00 62.33 H new ATOM 0 HD2 ARG A 56 0.023 1.350 -7.012 1.00 43.01 H new ATOM 0 HD3 ARG A 56 -0.024 2.665 -8.169 1.00 43.01 H new ATOM 0 HE ARG A 56 2.417 1.927 -8.703 1.00 72.20 H new ATOM 0 HH11 ARG A 56 -0.281 -0.241 -8.075 1.00 51.31 H new ATOM 0 HH12 ARG A 56 0.512 -1.622 -8.841 1.00 51.31 H new ATOM 0 HH21 ARG A 56 3.507 0.145 -9.508 1.00 35.11 H new ATOM 0 HH22 ARG A 56 2.669 -1.403 -9.657 1.00 35.11 H new ATOM 747 N VAL A 57 3.841 0.130 -5.496 1.00 41.43 N ATOM 748 CA VAL A 57 5.269 -0.057 -5.664 1.00 55.34 C ATOM 749 C VAL A 57 5.780 1.052 -6.574 1.00 1.11 C ATOM 750 O VAL A 57 5.692 0.956 -7.798 1.00 42.10 O ATOM 751 CB VAL A 57 5.560 -1.460 -6.236 1.00 61.43 C ATOM 752 CG1 VAL A 57 7.071 -1.714 -6.310 1.00 24.55 C ATOM 753 CG2 VAL A 57 4.924 -2.551 -5.369 1.00 73.20 C ATOM 0 H VAL A 57 3.291 -0.560 -6.008 1.00 41.43 H new ATOM 0 HA VAL A 57 5.786 0.002 -4.706 1.00 55.34 H new ATOM 0 HB VAL A 57 5.130 -1.496 -7.237 1.00 61.43 H new ATOM 0 HG11 VAL A 57 7.253 -2.709 -6.716 1.00 24.55 H new ATOM 0 HG12 VAL A 57 7.534 -0.968 -6.956 1.00 24.55 H new ATOM 0 HG13 VAL A 57 7.501 -1.646 -5.311 1.00 24.55 H new ATOM 0 HG21 VAL A 57 5.145 -3.530 -5.795 1.00 73.20 H new ATOM 0 HG22 VAL A 57 5.329 -2.495 -4.359 1.00 73.20 H new ATOM 0 HG23 VAL A 57 3.844 -2.405 -5.335 1.00 73.20 H new ATOM 763 N ILE A 58 6.294 2.125 -5.976 1.00 40.22 N ATOM 764 CA ILE A 58 7.108 3.087 -6.714 1.00 32.25 C ATOM 765 C ILE A 58 8.430 2.400 -7.098 1.00 71.20 C ATOM 766 O ILE A 58 9.045 1.718 -6.269 1.00 4.03 O ATOM 767 CB ILE A 58 7.302 4.373 -5.876 1.00 32.14 C ATOM 768 CG1 ILE A 58 5.967 4.944 -5.334 1.00 44.21 C ATOM 769 CG2 ILE A 58 8.060 5.451 -6.670 1.00 44.22 C ATOM 770 CD1 ILE A 58 4.868 5.191 -6.376 1.00 55.30 C ATOM 0 H ILE A 58 6.162 2.349 -4.990 1.00 40.22 H new ATOM 0 HA ILE A 58 6.615 3.403 -7.634 1.00 32.25 H new ATOM 0 HB ILE A 58 7.903 4.083 -5.014 1.00 32.14 H new ATOM 0 HG12 ILE A 58 5.579 4.256 -4.582 1.00 44.21 H new ATOM 0 HG13 ILE A 58 6.177 5.886 -4.827 1.00 44.21 H new ATOM 0 HG21 ILE A 58 8.179 6.341 -6.052 1.00 44.22 H new ATOM 0 HG22 ILE A 58 9.042 5.071 -6.953 1.00 44.22 H new ATOM 0 HG23 ILE A 58 7.497 5.705 -7.568 1.00 44.22 H new ATOM 0 HD11 ILE A 58 3.982 5.590 -5.883 1.00 55.30 H new ATOM 0 HD12 ILE A 58 5.224 5.907 -7.117 1.00 55.30 H new ATOM 0 HD13 ILE A 58 4.617 4.252 -6.869 1.00 55.30 H new ATOM 781 N LYS A 59 8.869 2.579 -8.348 1.00 63.41 N ATOM 782 CA LYS A 59 10.084 1.991 -8.913 1.00 0.45 C ATOM 783 C LYS A 59 11.024 3.090 -9.395 1.00 15.45 C ATOM 784 O LYS A 59 10.700 4.282 -9.314 1.00 23.11 O ATOM 785 CB LYS A 59 9.741 1.041 -10.076 1.00 32.44 C ATOM 786 CG LYS A 59 8.774 -0.081 -9.678 1.00 12.03 C ATOM 787 CD LYS A 59 8.803 -1.249 -10.679 1.00 54.12 C ATOM 788 CE LYS A 59 8.420 -0.936 -12.132 1.00 44.43 C ATOM 789 NZ LYS A 59 7.015 -0.508 -12.277 1.00 4.31 N ATOM 0 H LYS A 59 8.367 3.161 -9.019 1.00 63.41 H new ATOM 0 HA LYS A 59 10.581 1.415 -8.133 1.00 0.45 H new ATOM 0 HB2 LYS A 59 9.302 1.618 -10.890 1.00 32.44 H new ATOM 0 HB3 LYS A 59 10.661 0.599 -10.459 1.00 32.44 H new ATOM 0 HG2 LYS A 59 9.034 -0.448 -8.685 1.00 12.03 H new ATOM 0 HG3 LYS A 59 7.762 0.318 -9.616 1.00 12.03 H new ATOM 0 HD2 LYS A 59 9.808 -1.670 -10.678 1.00 54.12 H new ATOM 0 HD3 LYS A 59 8.132 -2.025 -10.312 1.00 54.12 H new ATOM 0 HE2 LYS A 59 9.074 -0.152 -12.514 1.00 44.43 H new ATOM 0 HE3 LYS A 59 8.590 -1.821 -12.746 1.00 44.43 H new ATOM 0 HZ1 LYS A 59 6.814 -0.311 -13.278 1.00 4.31 H new ATOM 0 HZ2 LYS A 59 6.385 -1.264 -11.940 1.00 4.31 H new ATOM 0 HZ3 LYS A 59 6.855 0.352 -11.715 1.00 4.31 H new ATOM 799 N ASP A 60 12.206 2.690 -9.852 1.00 53.04 N ATOM 800 CA ASP A 60 13.161 3.544 -10.533 1.00 54.12 C ATOM 801 C ASP A 60 12.837 3.669 -12.025 1.00 24.34 C ATOM 802 O ASP A 60 11.943 2.999 -12.549 1.00 42.34 O ATOM 803 CB ASP A 60 14.576 3.037 -10.236 1.00 11.43 C ATOM 804 CG ASP A 60 15.626 3.927 -10.889 1.00 54.43 C ATOM 805 OD1 ASP A 60 15.594 5.162 -10.664 1.00 63.11 O ATOM 806 OD2 ASP A 60 16.351 3.423 -11.767 1.00 43.20 O ATOM 0 H ASP A 60 12.533 1.729 -9.753 1.00 53.04 H new ATOM 0 HA ASP A 60 13.095 4.564 -10.155 1.00 54.12 H new ATOM 0 HB2 ASP A 60 14.737 3.010 -9.158 1.00 11.43 H new ATOM 0 HB3 ASP A 60 14.683 2.015 -10.600 1.00 11.43 H new ATOM 810 N LYS A 61 13.522 4.594 -12.700 1.00 63.34 N ATOM 811 CA LYS A 61 13.359 4.936 -14.093 1.00 71.30 C ATOM 812 C LYS A 61 14.555 4.453 -14.925 1.00 20.22 C ATOM 813 O LYS A 61 14.370 4.076 -16.084 1.00 52.24 O ATOM 814 CB LYS A 61 13.194 6.448 -14.147 1.00 62.11 C ATOM 815 CG LYS A 61 12.799 6.867 -15.558 1.00 4.31 C ATOM 816 CD LYS A 61 12.760 8.383 -15.679 1.00 13.31 C ATOM 817 CE LYS A 61 12.219 8.787 -17.054 1.00 21.52 C ATOM 818 NZ LYS A 61 12.736 10.100 -17.487 1.00 20.21 N ATOM 0 H LYS A 61 14.248 5.152 -12.250 1.00 63.34 H new ATOM 0 HA LYS A 61 12.487 4.444 -14.524 1.00 71.30 H new ATOM 0 HB2 LYS A 61 12.433 6.767 -13.435 1.00 62.11 H new ATOM 0 HB3 LYS A 61 14.125 6.936 -13.858 1.00 62.11 H new ATOM 0 HG2 LYS A 61 13.510 6.458 -16.276 1.00 4.31 H new ATOM 0 HG3 LYS A 61 11.822 6.452 -15.805 1.00 4.31 H new ATOM 0 HD2 LYS A 61 12.130 8.802 -14.894 1.00 13.31 H new ATOM 0 HD3 LYS A 61 13.760 8.793 -15.538 1.00 13.31 H new ATOM 0 HE2 LYS A 61 12.493 8.029 -17.788 1.00 21.52 H new ATOM 0 HE3 LYS A 61 11.130 8.819 -17.020 1.00 21.52 H new ATOM 0 HZ1 LYS A 61 12.346 10.336 -18.422 1.00 20.21 H new ATOM 0 HZ2 LYS A 61 12.453 10.828 -16.800 1.00 20.21 H new ATOM 0 HZ3 LYS A 61 13.774 10.063 -17.545 1.00 20.21 H new ATOM 828 N GLN A 62 15.766 4.499 -14.358 1.00 15.41 N ATOM 829 CA GLN A 62 17.013 4.100 -15.011 1.00 33.52 C ATOM 830 C GLN A 62 17.089 2.582 -15.121 1.00 1.34 C ATOM 831 O GLN A 62 17.690 2.039 -16.051 1.00 32.51 O ATOM 832 CB GLN A 62 18.216 4.583 -14.196 1.00 31.23 C ATOM 833 CG GLN A 62 18.146 6.070 -13.869 1.00 71.40 C ATOM 834 CD GLN A 62 19.420 6.571 -13.209 1.00 21.51 C ATOM 835 OE1 GLN A 62 19.597 6.457 -11.996 1.00 31.42 O ATOM 836 NE2 GLN A 62 20.314 7.142 -13.991 1.00 24.45 N ATOM 0 H GLN A 62 15.907 4.826 -13.402 1.00 15.41 H new ATOM 0 HA GLN A 62 17.031 4.547 -16.005 1.00 33.52 H new ATOM 0 HB2 GLN A 62 18.273 4.013 -13.268 1.00 31.23 H new ATOM 0 HB3 GLN A 62 19.131 4.380 -14.752 1.00 31.23 H new ATOM 0 HG2 GLN A 62 17.967 6.634 -14.784 1.00 71.40 H new ATOM 0 HG3 GLN A 62 17.299 6.256 -13.209 1.00 71.40 H new ATOM 0 HE21 GLN A 62 20.139 7.222 -14.993 1.00 24.45 H new ATOM 0 HE22 GLN A 62 21.181 7.504 -13.595 1.00 24.45 H new ATOM 843 N THR A 63 16.489 1.922 -14.143 1.00 1.15 N ATOM 844 CA THR A 63 16.396 0.498 -13.935 1.00 61.23 C ATOM 845 C THR A 63 14.912 0.180 -13.770 1.00 32.51 C ATOM 846 O THR A 63 14.073 1.088 -13.765 1.00 22.55 O ATOM 847 CB THR A 63 17.251 0.133 -12.707 1.00 14.04 C ATOM 848 OG1 THR A 63 16.837 0.798 -11.523 1.00 60.24 O ATOM 849 CG2 THR A 63 18.716 0.500 -12.929 1.00 54.41 C ATOM 0 H THR A 63 16.007 2.431 -13.402 1.00 1.15 H new ATOM 0 HA THR A 63 16.781 -0.094 -14.766 1.00 61.23 H new ATOM 0 HB THR A 63 17.123 -0.942 -12.583 1.00 14.04 H new ATOM 0 HG1 THR A 63 16.977 1.763 -11.624 1.00 60.24 H new ATOM 0 HG21 THR A 63 19.296 0.231 -12.046 1.00 54.41 H new ATOM 0 HG22 THR A 63 19.100 -0.041 -13.794 1.00 54.41 H new ATOM 0 HG23 THR A 63 18.800 1.572 -13.106 1.00 54.41 H new ATOM 857 N GLN A 64 14.559 -1.094 -13.641 1.00 40.12 N ATOM 858 CA GLN A 64 13.190 -1.523 -13.421 1.00 55.40 C ATOM 859 C GLN A 64 13.132 -2.171 -12.041 1.00 52.31 C ATOM 860 O GLN A 64 12.733 -3.323 -11.899 1.00 62.20 O ATOM 861 CB GLN A 64 12.732 -2.418 -14.591 1.00 40.30 C ATOM 862 CG GLN A 64 12.782 -1.713 -15.961 1.00 55.03 C ATOM 863 CD GLN A 64 11.711 -0.634 -16.093 1.00 12.22 C ATOM 864 OE1 GLN A 64 10.637 -0.880 -16.634 1.00 23.34 O ATOM 865 NE2 GLN A 64 11.908 0.556 -15.555 1.00 41.13 N ATOM 0 H GLN A 64 15.226 -1.864 -13.687 1.00 40.12 H new ATOM 0 HA GLN A 64 12.480 -0.696 -13.415 1.00 55.40 H new ATOM 0 HB2 GLN A 64 13.361 -3.307 -14.626 1.00 40.30 H new ATOM 0 HB3 GLN A 64 11.713 -2.756 -14.402 1.00 40.30 H new ATOM 0 HG2 GLN A 64 13.766 -1.265 -16.102 1.00 55.03 H new ATOM 0 HG3 GLN A 64 12.651 -2.451 -16.753 1.00 55.03 H new ATOM 0 HE21 GLN A 64 12.797 0.771 -15.103 1.00 41.13 H new ATOM 0 HE22 GLN A 64 11.171 1.260 -15.591 1.00 41.13 H new ATOM 872 N LEU A 65 13.572 -1.430 -11.022 1.00 15.45 N ATOM 873 CA LEU A 65 13.810 -1.930 -9.669 1.00 54.41 C ATOM 874 C LEU A 65 13.066 -1.058 -8.669 1.00 62.33 C ATOM 875 O LEU A 65 12.627 0.044 -9.008 1.00 35.22 O ATOM 876 CB LEU A 65 15.311 -1.885 -9.349 1.00 52.04 C ATOM 877 CG LEU A 65 16.203 -2.742 -10.264 1.00 35.22 C ATOM 878 CD1 LEU A 65 17.659 -2.387 -9.965 1.00 2.45 C ATOM 879 CD2 LEU A 65 15.961 -4.246 -10.089 1.00 55.01 C ATOM 0 H LEU A 65 13.778 -0.436 -11.120 1.00 15.45 H new ATOM 0 HA LEU A 65 13.455 -2.959 -9.604 1.00 54.41 H new ATOM 0 HB2 LEU A 65 15.647 -0.850 -9.407 1.00 52.04 H new ATOM 0 HB3 LEU A 65 15.456 -2.210 -8.319 1.00 52.04 H new ATOM 0 HG LEU A 65 15.956 -2.522 -11.303 1.00 35.22 H new ATOM 0 HD11 LEU A 65 18.316 -2.981 -10.601 1.00 2.45 H new ATOM 0 HD12 LEU A 65 17.823 -1.328 -10.162 1.00 2.45 H new ATOM 0 HD13 LEU A 65 17.878 -2.599 -8.918 1.00 2.45 H new ATOM 0 HD21 LEU A 65 16.618 -4.801 -10.759 1.00 55.01 H new ATOM 0 HD22 LEU A 65 16.171 -4.531 -9.058 1.00 55.01 H new ATOM 0 HD23 LEU A 65 14.922 -4.477 -10.325 1.00 55.01 H new ATOM 890 N ASN A 66 12.933 -1.528 -7.433 1.00 12.22 N ATOM 891 CA ASN A 66 12.297 -0.753 -6.370 1.00 14.45 C ATOM 892 C ASN A 66 13.218 0.395 -5.935 1.00 13.22 C ATOM 893 O ASN A 66 14.412 0.396 -6.236 1.00 63.44 O ATOM 894 CB ASN A 66 11.986 -1.654 -5.163 1.00 60.52 C ATOM 895 CG ASN A 66 11.113 -2.845 -5.519 1.00 12.14 C ATOM 896 OD1 ASN A 66 10.271 -2.791 -6.409 1.00 12.12 O ATOM 897 ND2 ASN A 66 11.334 -3.948 -4.838 1.00 35.54 N ATOM 0 H ASN A 66 13.260 -2.449 -7.140 1.00 12.22 H new ATOM 0 HA ASN A 66 11.363 -0.340 -6.752 1.00 14.45 H new ATOM 0 HB2 ASN A 66 12.922 -2.012 -4.734 1.00 60.52 H new ATOM 0 HB3 ASN A 66 11.488 -1.063 -4.394 1.00 60.52 H new ATOM 0 HD21 ASN A 66 10.798 -4.791 -5.044 1.00 35.54 H new ATOM 0 HD22 ASN A 66 12.042 -3.961 -4.103 1.00 35.54 H new ATOM 903 N ARG A 67 12.703 1.333 -5.132 1.00 11.44 N ATOM 904 CA ARG A 67 13.453 2.494 -4.618 1.00 52.13 C ATOM 905 C ARG A 67 13.551 2.499 -3.088 1.00 0.42 C ATOM 906 O ARG A 67 13.487 3.557 -2.466 1.00 75.54 O ATOM 907 CB ARG A 67 12.847 3.795 -5.177 1.00 21.13 C ATOM 908 CG ARG A 67 13.275 4.074 -6.621 1.00 3.23 C ATOM 909 CD ARG A 67 12.777 5.459 -7.038 1.00 41.22 C ATOM 910 NE ARG A 67 13.538 6.010 -8.170 1.00 20.34 N ATOM 911 CZ ARG A 67 13.049 6.783 -9.145 1.00 23.24 C ATOM 912 NH1 ARG A 67 11.746 7.017 -9.230 1.00 12.42 N ATOM 913 NH2 ARG A 67 13.868 7.262 -10.070 1.00 15.25 N ATOM 0 H ARG A 67 11.735 1.310 -4.813 1.00 11.44 H new ATOM 0 HA ARG A 67 14.482 2.420 -4.970 1.00 52.13 H new ATOM 0 HB2 ARG A 67 11.760 3.734 -5.130 1.00 21.13 H new ATOM 0 HB3 ARG A 67 13.147 4.631 -4.545 1.00 21.13 H new ATOM 0 HG2 ARG A 67 14.361 4.024 -6.707 1.00 3.23 H new ATOM 0 HG3 ARG A 67 12.868 3.313 -7.287 1.00 3.23 H new ATOM 0 HD2 ARG A 67 11.723 5.397 -7.308 1.00 41.22 H new ATOM 0 HD3 ARG A 67 12.849 6.139 -6.189 1.00 41.22 H new ATOM 0 HE ARG A 67 14.531 5.781 -8.215 1.00 20.34 H new ATOM 0 HH11 ARG A 67 11.108 6.606 -8.548 1.00 12.42 H new ATOM 0 HH12 ARG A 67 11.382 7.608 -9.977 1.00 12.42 H new ATOM 0 HH21 ARG A 67 14.863 7.040 -10.035 1.00 15.25 H new ATOM 0 HH22 ARG A 67 13.503 7.853 -10.818 1.00 15.25 H new ATOM 924 N GLY A 68 13.639 1.332 -2.448 1.00 55.34 N ATOM 925 CA GLY A 68 13.808 1.259 -0.996 1.00 51.21 C ATOM 926 C GLY A 68 12.610 1.758 -0.182 1.00 13.25 C ATOM 927 O GLY A 68 12.712 1.892 1.045 1.00 44.10 O ATOM 0 H GLY A 68 13.596 0.425 -2.912 1.00 55.34 H new ATOM 0 HA2 GLY A 68 14.011 0.224 -0.720 1.00 51.21 H new ATOM 0 HA3 GLY A 68 14.686 1.841 -0.717 1.00 51.21 H new ATOM 931 N PHE A 69 11.482 2.036 -0.842 1.00 32.24 N ATOM 932 CA PHE A 69 10.254 2.515 -0.229 1.00 23.21 C ATOM 933 C PHE A 69 9.067 2.209 -1.151 1.00 71.30 C ATOM 934 O PHE A 69 9.290 1.876 -2.320 1.00 55.01 O ATOM 935 CB PHE A 69 10.373 4.020 0.078 1.00 12.15 C ATOM 936 CG PHE A 69 9.964 5.016 -0.999 1.00 32.25 C ATOM 937 CD1 PHE A 69 10.337 4.873 -2.351 1.00 4.22 C ATOM 938 CD2 PHE A 69 9.213 6.139 -0.618 1.00 31.45 C ATOM 939 CE1 PHE A 69 9.907 5.809 -3.310 1.00 61.31 C ATOM 940 CE2 PHE A 69 8.783 7.078 -1.567 1.00 12.24 C ATOM 941 CZ PHE A 69 9.113 6.902 -2.921 1.00 24.14 C ATOM 0 H PHE A 69 11.403 1.928 -1.853 1.00 32.24 H new ATOM 0 HA PHE A 69 10.084 2.001 0.717 1.00 23.21 H new ATOM 0 HB2 PHE A 69 9.773 4.226 0.965 1.00 12.15 H new ATOM 0 HB3 PHE A 69 11.411 4.224 0.341 1.00 12.15 H new ATOM 0 HD1 PHE A 69 10.956 4.041 -2.652 1.00 4.22 H new ATOM 0 HD2 PHE A 69 8.962 6.282 0.423 1.00 31.45 H new ATOM 0 HE1 PHE A 69 10.187 5.687 -4.346 1.00 61.31 H new ATOM 0 HE2 PHE A 69 8.200 7.933 -1.258 1.00 12.24 H new ATOM 0 HZ PHE A 69 8.758 7.604 -3.661 1.00 24.14 H new ATOM 950 N ALA A 70 7.830 2.314 -0.663 1.00 13.41 N ATOM 951 CA ALA A 70 6.579 2.198 -1.424 1.00 72.14 C ATOM 952 C ALA A 70 5.423 2.758 -0.571 1.00 22.44 C ATOM 953 O ALA A 70 5.630 3.032 0.610 1.00 44.33 O ATOM 954 CB ALA A 70 6.329 0.738 -1.803 1.00 41.22 C ATOM 0 H ALA A 70 7.662 2.492 0.327 1.00 13.41 H new ATOM 0 HA ALA A 70 6.648 2.773 -2.347 1.00 72.14 H new ATOM 0 HB1 ALA A 70 5.399 0.663 -2.367 1.00 41.22 H new ATOM 0 HB2 ALA A 70 7.155 0.374 -2.414 1.00 41.22 H new ATOM 0 HB3 ALA A 70 6.255 0.135 -0.898 1.00 41.22 H new ATOM 960 N PHE A 71 4.215 2.884 -1.132 1.00 0.03 N ATOM 961 CA PHE A 71 3.048 3.542 -0.531 1.00 54.20 C ATOM 962 C PHE A 71 1.911 2.555 -0.225 1.00 4.14 C ATOM 963 O PHE A 71 1.812 1.521 -0.891 1.00 53.32 O ATOM 964 CB PHE A 71 2.538 4.594 -1.529 1.00 3.04 C ATOM 965 CG PHE A 71 3.210 5.947 -1.431 1.00 40.40 C ATOM 966 CD1 PHE A 71 3.226 6.647 -0.209 1.00 12.42 C ATOM 967 CD2 PHE A 71 3.795 6.523 -2.573 1.00 61.31 C ATOM 968 CE1 PHE A 71 3.843 7.904 -0.134 1.00 75.11 C ATOM 969 CE2 PHE A 71 4.437 7.771 -2.486 1.00 34.14 C ATOM 970 CZ PHE A 71 4.463 8.464 -1.264 1.00 32.51 C ATOM 0 H PHE A 71 4.015 2.513 -2.061 1.00 0.03 H new ATOM 0 HA PHE A 71 3.353 3.989 0.415 1.00 54.20 H new ATOM 0 HB2 PHE A 71 2.674 4.210 -2.540 1.00 3.04 H new ATOM 0 HB3 PHE A 71 1.466 4.726 -1.379 1.00 3.04 H new ATOM 0 HD1 PHE A 71 2.764 6.217 0.668 1.00 12.42 H new ATOM 0 HD2 PHE A 71 3.751 6.005 -3.520 1.00 61.31 H new ATOM 0 HE1 PHE A 71 3.842 8.446 0.800 1.00 75.11 H new ATOM 0 HE2 PHE A 71 4.910 8.197 -3.358 1.00 34.14 H new ATOM 0 HZ PHE A 71 4.957 9.422 -1.194 1.00 32.51 H new ATOM 979 N ILE A 72 1.015 2.901 0.721 1.00 20.55 N ATOM 980 CA ILE A 72 -0.249 2.190 0.972 1.00 2.11 C ATOM 981 C ILE A 72 -1.336 3.192 1.425 1.00 13.43 C ATOM 982 O ILE A 72 -1.197 3.790 2.495 1.00 33.13 O ATOM 983 CB ILE A 72 -0.093 1.056 2.022 1.00 55.44 C ATOM 984 CG1 ILE A 72 1.203 0.231 1.947 1.00 44.31 C ATOM 985 CG2 ILE A 72 -1.306 0.108 1.899 1.00 34.35 C ATOM 986 CD1 ILE A 72 1.326 -0.765 3.104 1.00 33.22 C ATOM 0 H ILE A 72 1.155 3.698 1.342 1.00 20.55 H new ATOM 0 HA ILE A 72 -0.549 1.720 0.036 1.00 2.11 H new ATOM 0 HB ILE A 72 -0.041 1.560 2.987 1.00 55.44 H new ATOM 0 HG12 ILE A 72 1.233 -0.309 1.001 1.00 44.31 H new ATOM 0 HG13 ILE A 72 2.060 0.904 1.957 1.00 44.31 H new ATOM 0 HG21 ILE A 72 -1.215 -0.696 2.629 1.00 34.35 H new ATOM 0 HG22 ILE A 72 -2.224 0.665 2.086 1.00 34.35 H new ATOM 0 HG23 ILE A 72 -1.337 -0.315 0.895 1.00 34.35 H new ATOM 0 HD11 ILE A 72 2.257 -1.323 3.006 1.00 33.22 H new ATOM 0 HD12 ILE A 72 1.324 -0.225 4.051 1.00 33.22 H new ATOM 0 HD13 ILE A 72 0.484 -1.457 3.080 1.00 33.22 H new ATOM 997 N GLN A 73 -2.417 3.371 0.653 1.00 75.30 N ATOM 998 CA GLN A 73 -3.549 4.280 0.926 1.00 73.31 C ATOM 999 C GLN A 73 -4.712 3.573 1.653 1.00 72.42 C ATOM 1000 O GLN A 73 -5.146 2.514 1.184 1.00 51.41 O ATOM 1001 CB GLN A 73 -4.089 4.794 -0.420 1.00 4.44 C ATOM 1002 CG GLN A 73 -3.207 5.861 -1.082 1.00 75.44 C ATOM 1003 CD GLN A 73 -3.849 6.361 -2.378 1.00 40.42 C ATOM 1004 OE1 GLN A 73 -3.383 6.089 -3.473 1.00 72.53 O ATOM 1005 NE2 GLN A 73 -4.954 7.081 -2.285 1.00 34.35 N ATOM 0 H GLN A 73 -2.536 2.862 -0.223 1.00 75.30 H new ATOM 0 HA GLN A 73 -3.182 5.083 1.565 1.00 73.31 H new ATOM 0 HB2 GLN A 73 -4.195 3.951 -1.103 1.00 4.44 H new ATOM 0 HB3 GLN A 73 -5.086 5.207 -0.266 1.00 4.44 H new ATOM 0 HG2 GLN A 73 -3.060 6.696 -0.397 1.00 75.44 H new ATOM 0 HG3 GLN A 73 -2.222 5.446 -1.294 1.00 75.44 H new ATOM 0 HE21 GLN A 73 -5.340 7.306 -1.368 1.00 34.35 H new ATOM 0 HE22 GLN A 73 -5.420 7.411 -3.130 1.00 34.35 H new ATOM 1012 N LEU A 74 -5.258 4.143 2.742 1.00 55.43 N ATOM 1013 CA LEU A 74 -6.335 3.545 3.554 1.00 41.41 C ATOM 1014 C LEU A 74 -7.345 4.575 4.094 1.00 13.03 C ATOM 1015 O LEU A 74 -7.175 5.783 3.933 1.00 15.24 O ATOM 1016 CB LEU A 74 -5.735 2.743 4.727 1.00 74.11 C ATOM 1017 CG LEU A 74 -5.496 1.263 4.382 1.00 65.41 C ATOM 1018 CD1 LEU A 74 -4.041 0.990 3.990 1.00 14.25 C ATOM 1019 CD2 LEU A 74 -5.874 0.424 5.592 1.00 70.22 C ATOM 0 H LEU A 74 -4.956 5.053 3.091 1.00 55.43 H new ATOM 0 HA LEU A 74 -6.887 2.884 2.886 1.00 41.41 H new ATOM 0 HB2 LEU A 74 -4.791 3.198 5.026 1.00 74.11 H new ATOM 0 HB3 LEU A 74 -6.405 2.807 5.584 1.00 74.11 H new ATOM 0 HG LEU A 74 -6.111 1.002 3.521 1.00 65.41 H new ATOM 0 HD11 LEU A 74 -3.920 -0.067 3.755 1.00 14.25 H new ATOM 0 HD12 LEU A 74 -3.781 1.588 3.116 1.00 14.25 H new ATOM 0 HD13 LEU A 74 -3.385 1.255 4.819 1.00 14.25 H new ATOM 0 HD21 LEU A 74 -5.712 -0.630 5.369 1.00 70.22 H new ATOM 0 HD22 LEU A 74 -5.257 0.714 6.443 1.00 70.22 H new ATOM 0 HD23 LEU A 74 -6.924 0.586 5.834 1.00 70.22 H new ATOM 1030 N SER A 75 -8.425 4.077 4.711 1.00 64.14 N ATOM 1031 CA SER A 75 -9.474 4.842 5.393 1.00 11.33 C ATOM 1032 C SER A 75 -8.964 5.500 6.689 1.00 51.13 C ATOM 1033 O SER A 75 -7.915 5.123 7.200 1.00 72.43 O ATOM 1034 CB SER A 75 -10.641 3.893 5.698 1.00 5.01 C ATOM 1035 OG SER A 75 -11.031 3.141 4.559 1.00 64.34 O ATOM 0 H SER A 75 -8.598 3.073 4.749 1.00 64.14 H new ATOM 0 HA SER A 75 -9.799 5.652 4.740 1.00 11.33 H new ATOM 0 HB2 SER A 75 -10.354 3.213 6.500 1.00 5.01 H new ATOM 0 HB3 SER A 75 -11.492 4.470 6.059 1.00 5.01 H new ATOM 0 HG SER A 75 -11.775 2.549 4.797 1.00 64.34 H new ATOM 1040 N THR A 76 -9.690 6.480 7.242 1.00 3.13 N ATOM 1041 CA THR A 76 -9.151 7.404 8.256 1.00 63.31 C ATOM 1042 C THR A 76 -8.694 6.741 9.571 1.00 41.02 C ATOM 1043 O THR A 76 -7.663 7.139 10.128 1.00 33.35 O ATOM 1044 CB THR A 76 -10.148 8.552 8.548 1.00 62.23 C ATOM 1045 OG1 THR A 76 -11.199 8.624 7.595 1.00 24.15 O ATOM 1046 CG2 THR A 76 -9.433 9.912 8.536 1.00 32.15 C ATOM 0 H THR A 76 -10.665 6.657 7.002 1.00 3.13 H new ATOM 0 HA THR A 76 -8.243 7.806 7.806 1.00 63.31 H new ATOM 0 HB THR A 76 -10.566 8.332 9.530 1.00 62.23 H new ATOM 0 HG1 THR A 76 -11.893 7.972 7.824 1.00 24.15 H new ATOM 0 HG21 THR A 76 -10.153 10.704 8.743 1.00 32.15 H new ATOM 0 HG22 THR A 76 -8.655 9.921 9.299 1.00 32.15 H new ATOM 0 HG23 THR A 76 -8.983 10.078 7.557 1.00 32.15 H new ATOM 1054 N ILE A 77 -9.439 5.756 10.083 1.00 34.13 N ATOM 1055 CA ILE A 77 -9.131 5.040 11.322 1.00 10.31 C ATOM 1056 C ILE A 77 -8.114 3.940 11.009 1.00 32.33 C ATOM 1057 O ILE A 77 -7.127 3.773 11.735 1.00 65.51 O ATOM 1058 CB ILE A 77 -10.452 4.527 11.955 1.00 43.33 C ATOM 1059 CG1 ILE A 77 -11.231 5.739 12.516 1.00 52.40 C ATOM 1060 CG2 ILE A 77 -10.235 3.464 13.045 1.00 42.02 C ATOM 1061 CD1 ILE A 77 -12.652 5.417 13.002 1.00 34.32 C ATOM 0 H ILE A 77 -10.294 5.427 9.635 1.00 34.13 H new ATOM 0 HA ILE A 77 -8.671 5.689 12.067 1.00 10.31 H new ATOM 0 HB ILE A 77 -11.027 4.029 11.174 1.00 43.33 H new ATOM 0 HG12 ILE A 77 -10.666 6.165 13.345 1.00 52.40 H new ATOM 0 HG13 ILE A 77 -11.290 6.505 11.743 1.00 52.40 H new ATOM 0 HG21 ILE A 77 -11.199 3.150 13.444 1.00 42.02 H new ATOM 0 HG22 ILE A 77 -9.722 2.603 12.617 1.00 42.02 H new ATOM 0 HG23 ILE A 77 -9.630 3.885 13.848 1.00 42.02 H new ATOM 0 HD11 ILE A 77 -13.122 6.325 13.378 1.00 34.32 H new ATOM 0 HD12 ILE A 77 -13.239 5.021 12.173 1.00 34.32 H new ATOM 0 HD13 ILE A 77 -12.604 4.676 13.800 1.00 34.32 H new ATOM 1072 N GLU A 78 -8.340 3.223 9.907 1.00 3.25 N ATOM 1073 CA GLU A 78 -7.506 2.119 9.450 1.00 74.41 C ATOM 1074 C GLU A 78 -6.071 2.583 9.159 1.00 23.11 C ATOM 1075 O GLU A 78 -5.103 1.905 9.517 1.00 64.52 O ATOM 1076 CB GLU A 78 -8.124 1.505 8.192 1.00 71.53 C ATOM 1077 CG GLU A 78 -9.562 0.986 8.337 1.00 11.23 C ATOM 1078 CD GLU A 78 -9.755 -0.130 9.365 1.00 44.33 C ATOM 1079 OE1 GLU A 78 -8.813 -0.923 9.611 1.00 54.50 O ATOM 1080 OE2 GLU A 78 -10.861 -0.181 9.952 1.00 11.14 O ATOM 0 H GLU A 78 -9.133 3.403 9.292 1.00 3.25 H new ATOM 0 HA GLU A 78 -7.458 1.372 10.242 1.00 74.41 H new ATOM 0 HB2 GLU A 78 -8.106 2.253 7.399 1.00 71.53 H new ATOM 0 HB3 GLU A 78 -7.491 0.680 7.865 1.00 71.53 H new ATOM 0 HG2 GLU A 78 -10.207 1.822 8.608 1.00 11.23 H new ATOM 0 HG3 GLU A 78 -9.900 0.625 7.366 1.00 11.23 H new ATOM 1085 N ALA A 79 -5.919 3.785 8.592 1.00 11.25 N ATOM 1086 CA ALA A 79 -4.692 4.482 8.289 1.00 5.44 C ATOM 1087 C ALA A 79 -4.237 5.156 9.582 1.00 34.55 C ATOM 1088 O ALA A 79 -3.937 6.349 9.625 1.00 51.20 O ATOM 1089 CB ALA A 79 -4.893 5.511 7.167 1.00 11.34 C ATOM 0 H ALA A 79 -6.733 4.333 8.314 1.00 11.25 H new ATOM 0 HA ALA A 79 -3.935 3.786 7.928 1.00 5.44 H new ATOM 0 HB1 ALA A 79 -3.949 6.017 6.964 1.00 11.34 H new ATOM 0 HB2 ALA A 79 -5.233 5.003 6.265 1.00 11.34 H new ATOM 0 HB3 ALA A 79 -5.639 6.244 7.475 1.00 11.34 H new ATOM 1095 N ALA A 80 -4.167 4.350 10.635 1.00 62.42 N ATOM 1096 CA ALA A 80 -3.307 4.578 11.752 1.00 51.12 C ATOM 1097 C ALA A 80 -3.060 3.254 12.466 1.00 50.44 C ATOM 1098 O ALA A 80 -1.915 2.847 12.622 1.00 71.51 O ATOM 1099 CB ALA A 80 -3.874 5.622 12.713 1.00 13.21 C ATOM 0 H ALA A 80 -4.728 3.503 10.722 1.00 62.42 H new ATOM 0 HA ALA A 80 -2.362 4.980 11.385 1.00 51.12 H new ATOM 0 HB1 ALA A 80 -3.185 5.762 13.546 1.00 13.21 H new ATOM 0 HB2 ALA A 80 -4.004 6.568 12.187 1.00 13.21 H new ATOM 0 HB3 ALA A 80 -4.838 5.282 13.092 1.00 13.21 H new ATOM 1105 N GLN A 81 -4.146 2.584 12.864 1.00 62.44 N ATOM 1106 CA GLN A 81 -4.167 1.421 13.754 1.00 43.20 C ATOM 1107 C GLN A 81 -3.452 0.217 13.168 1.00 64.04 C ATOM 1108 O GLN A 81 -2.939 -0.611 13.911 1.00 25.01 O ATOM 1109 CB GLN A 81 -5.626 1.101 14.094 1.00 33.33 C ATOM 1110 CG GLN A 81 -6.416 0.488 12.929 1.00 61.14 C ATOM 1111 CD GLN A 81 -7.916 0.394 13.199 1.00 24.43 C ATOM 1112 OE1 GLN A 81 -8.414 0.877 14.208 1.00 41.10 O ATOM 1113 NE2 GLN A 81 -8.685 -0.209 12.313 1.00 31.33 N ATOM 0 H GLN A 81 -5.081 2.853 12.558 1.00 62.44 H new ATOM 0 HA GLN A 81 -3.617 1.666 14.663 1.00 43.20 H new ATOM 0 HB2 GLN A 81 -5.649 0.412 14.938 1.00 33.33 H new ATOM 0 HB3 GLN A 81 -6.123 2.016 14.416 1.00 33.33 H new ATOM 0 HG2 GLN A 81 -6.252 1.087 12.033 1.00 61.14 H new ATOM 0 HG3 GLN A 81 -6.028 -0.509 12.721 1.00 61.14 H new ATOM 0 HE21 GLN A 81 -8.274 -0.612 11.471 1.00 31.33 H new ATOM 0 HE22 GLN A 81 -9.691 -0.272 12.470 1.00 31.33 H new ATOM 1120 N LEU A 82 -3.372 0.147 11.840 1.00 25.54 N ATOM 1121 CA LEU A 82 -2.544 -0.832 11.155 1.00 53.31 C ATOM 1122 C LEU A 82 -1.146 -0.858 11.756 1.00 1.41 C ATOM 1123 O LEU A 82 -0.619 -1.934 12.010 1.00 64.34 O ATOM 1124 CB LEU A 82 -2.445 -0.502 9.660 1.00 33.43 C ATOM 1125 CG LEU A 82 -3.434 -1.261 8.763 1.00 43.12 C ATOM 1126 CD1 LEU A 82 -3.182 -0.773 7.337 1.00 32.53 C ATOM 1127 CD2 LEU A 82 -3.238 -2.782 8.810 1.00 12.52 C ATOM 0 H LEU A 82 -3.881 0.770 11.213 1.00 25.54 H new ATOM 0 HA LEU A 82 -3.008 -1.811 11.277 1.00 53.31 H new ATOM 0 HB2 LEU A 82 -2.605 0.568 9.528 1.00 33.43 H new ATOM 0 HB3 LEU A 82 -1.431 -0.717 9.322 1.00 33.43 H new ATOM 0 HG LEU A 82 -4.450 -1.068 9.108 1.00 43.12 H new ATOM 0 HD11 LEU A 82 -3.861 -1.282 6.653 1.00 32.53 H new ATOM 0 HD12 LEU A 82 -3.353 0.302 7.285 1.00 32.53 H new ATOM 0 HD13 LEU A 82 -2.152 -0.991 7.055 1.00 32.53 H new ATOM 0 HD21 LEU A 82 -3.966 -3.263 8.156 1.00 12.52 H new ATOM 0 HD22 LEU A 82 -2.230 -3.030 8.476 1.00 12.52 H new ATOM 0 HD23 LEU A 82 -3.379 -3.136 9.831 1.00 12.52 H new ATOM 1138 N LEU A 83 -0.555 0.315 12.000 1.00 24.45 N ATOM 1139 CA LEU A 83 0.823 0.439 12.457 1.00 74.54 C ATOM 1140 C LEU A 83 1.102 -0.441 13.680 1.00 70.14 C ATOM 1141 O LEU A 83 2.161 -1.061 13.746 1.00 12.35 O ATOM 1142 CB LEU A 83 1.092 1.913 12.781 1.00 22.23 C ATOM 1143 CG LEU A 83 2.566 2.231 13.080 1.00 63.22 C ATOM 1144 CD1 LEU A 83 3.436 2.188 11.817 1.00 54.42 C ATOM 1145 CD2 LEU A 83 2.655 3.634 13.675 1.00 25.14 C ATOM 0 H LEU A 83 -1.028 1.211 11.883 1.00 24.45 H new ATOM 0 HA LEU A 83 1.491 0.096 11.667 1.00 74.54 H new ATOM 0 HB2 LEU A 83 0.763 2.524 11.941 1.00 22.23 H new ATOM 0 HB3 LEU A 83 0.488 2.201 13.641 1.00 22.23 H new ATOM 0 HG LEU A 83 2.934 1.475 13.774 1.00 63.22 H new ATOM 0 HD11 LEU A 83 4.469 2.419 12.078 1.00 54.42 H new ATOM 0 HD12 LEU A 83 3.388 1.193 11.376 1.00 54.42 H new ATOM 0 HD13 LEU A 83 3.071 2.922 11.098 1.00 54.42 H new ATOM 0 HD21 LEU A 83 3.696 3.872 13.892 1.00 25.14 H new ATOM 0 HD22 LEU A 83 2.258 4.357 12.962 1.00 25.14 H new ATOM 0 HD23 LEU A 83 2.074 3.676 14.596 1.00 25.14 H new ATOM 1156 N GLN A 84 0.147 -0.522 14.612 1.00 52.50 N ATOM 1157 CA GLN A 84 0.269 -1.333 15.818 1.00 3.41 C ATOM 1158 C GLN A 84 0.416 -2.802 15.422 1.00 11.23 C ATOM 1159 O GLN A 84 1.339 -3.493 15.859 1.00 73.30 O ATOM 1160 CB GLN A 84 -0.973 -1.127 16.711 1.00 51.14 C ATOM 1161 CG GLN A 84 -0.888 0.071 17.664 1.00 70.11 C ATOM 1162 CD GLN A 84 -0.811 1.427 16.968 1.00 30.44 C ATOM 1163 OE1 GLN A 84 -1.555 1.735 16.039 1.00 14.33 O ATOM 1164 NE2 GLN A 84 0.044 2.310 17.445 1.00 31.23 N ATOM 0 H GLN A 84 -0.739 -0.020 14.546 1.00 52.50 H new ATOM 0 HA GLN A 84 1.151 -1.031 16.383 1.00 3.41 H new ATOM 0 HB2 GLN A 84 -1.847 -1.003 16.071 1.00 51.14 H new ATOM 0 HB3 GLN A 84 -1.134 -2.030 17.299 1.00 51.14 H new ATOM 0 HG2 GLN A 84 -1.760 0.061 18.319 1.00 70.11 H new ATOM 0 HG3 GLN A 84 -0.011 -0.048 18.300 1.00 70.11 H new ATOM 0 HE21 GLN A 84 0.662 2.057 18.216 1.00 31.23 H new ATOM 0 HE22 GLN A 84 0.087 3.247 17.043 1.00 31.23 H new ATOM 1171 N ILE A 85 -0.487 -3.268 14.562 1.00 63.21 N ATOM 1172 CA ILE A 85 -0.559 -4.632 14.056 1.00 3.15 C ATOM 1173 C ILE A 85 0.769 -4.996 13.381 1.00 65.32 C ATOM 1174 O ILE A 85 1.283 -6.098 13.591 1.00 51.24 O ATOM 1175 CB ILE A 85 -1.754 -4.762 13.082 1.00 22.32 C ATOM 1176 CG1 ILE A 85 -3.038 -4.169 13.696 1.00 1.32 C ATOM 1177 CG2 ILE A 85 -1.971 -6.230 12.666 1.00 44.41 C ATOM 1178 CD1 ILE A 85 -4.264 -4.307 12.802 1.00 62.23 C ATOM 0 H ILE A 85 -1.223 -2.673 14.182 1.00 63.21 H new ATOM 0 HA ILE A 85 -0.721 -5.331 14.877 1.00 3.15 H new ATOM 0 HB ILE A 85 -1.516 -4.190 12.185 1.00 22.32 H new ATOM 0 HG12 ILE A 85 -3.236 -4.662 14.648 1.00 1.32 H new ATOM 0 HG13 ILE A 85 -2.873 -3.113 13.911 1.00 1.32 H new ATOM 0 HG21 ILE A 85 -2.817 -6.293 11.981 1.00 44.41 H new ATOM 0 HG22 ILE A 85 -1.075 -6.604 12.171 1.00 44.41 H new ATOM 0 HG23 ILE A 85 -2.175 -6.833 13.551 1.00 44.41 H new ATOM 0 HD11 ILE A 85 -5.129 -3.868 13.300 1.00 62.23 H new ATOM 0 HD12 ILE A 85 -4.087 -3.790 11.859 1.00 62.23 H new ATOM 0 HD13 ILE A 85 -4.455 -5.362 12.607 1.00 62.23 H new ATOM 1189 N LEU A 86 1.323 -4.084 12.574 1.00 33.43 N ATOM 1190 CA LEU A 86 2.526 -4.330 11.786 1.00 4.24 C ATOM 1191 C LEU A 86 3.746 -4.565 12.670 1.00 72.00 C ATOM 1192 O LEU A 86 4.593 -5.383 12.314 1.00 14.43 O ATOM 1193 CB LEU A 86 2.835 -3.157 10.851 1.00 13.23 C ATOM 1194 CG LEU A 86 2.154 -3.213 9.479 1.00 51.03 C ATOM 1195 CD1 LEU A 86 0.677 -2.828 9.502 1.00 63.52 C ATOM 1196 CD2 LEU A 86 2.843 -2.183 8.597 1.00 10.33 C ATOM 0 H LEU A 86 0.941 -3.146 12.452 1.00 33.43 H new ATOM 0 HA LEU A 86 2.322 -5.227 11.201 1.00 4.24 H new ATOM 0 HB2 LEU A 86 2.540 -2.232 11.347 1.00 13.23 H new ATOM 0 HB3 LEU A 86 3.914 -3.108 10.701 1.00 13.23 H new ATOM 0 HG LEU A 86 2.229 -4.242 9.127 1.00 51.03 H new ATOM 0 HD11 LEU A 86 0.268 -2.893 8.494 1.00 63.52 H new ATOM 0 HD12 LEU A 86 0.134 -3.508 10.158 1.00 63.52 H new ATOM 0 HD13 LEU A 86 0.573 -1.808 9.871 1.00 63.52 H new ATOM 0 HD21 LEU A 86 2.388 -2.189 7.607 1.00 10.33 H new ATOM 0 HD22 LEU A 86 2.734 -1.193 9.040 1.00 10.33 H new ATOM 0 HD23 LEU A 86 3.902 -2.428 8.511 1.00 10.33 H new ATOM 1207 N GLN A 87 3.848 -3.884 13.811 1.00 3.44 N ATOM 1208 CA GLN A 87 4.966 -4.048 14.740 1.00 44.31 C ATOM 1209 C GLN A 87 4.956 -5.427 15.417 1.00 24.15 C ATOM 1210 O GLN A 87 5.884 -5.741 16.170 1.00 34.22 O ATOM 1211 CB GLN A 87 4.947 -2.933 15.794 1.00 45.53 C ATOM 1212 CG GLN A 87 5.218 -1.534 15.225 1.00 22.21 C ATOM 1213 CD GLN A 87 6.662 -1.279 14.778 1.00 41.14 C ATOM 1214 OE1 GLN A 87 7.481 -2.186 14.622 1.00 63.10 O ATOM 1215 NE2 GLN A 87 7.046 -0.035 14.553 1.00 43.03 N ATOM 0 H GLN A 87 3.156 -3.201 14.118 1.00 3.44 H new ATOM 0 HA GLN A 87 5.887 -3.979 14.161 1.00 44.31 H new ATOM 0 HB2 GLN A 87 3.976 -2.931 16.289 1.00 45.53 H new ATOM 0 HB3 GLN A 87 5.693 -3.155 16.557 1.00 45.53 H new ATOM 0 HG2 GLN A 87 4.557 -1.371 14.374 1.00 22.21 H new ATOM 0 HG3 GLN A 87 4.953 -0.794 15.980 1.00 22.21 H new ATOM 0 HE21 GLN A 87 6.386 0.733 14.675 1.00 43.03 H new ATOM 0 HE22 GLN A 87 8.003 0.158 14.257 1.00 43.03 H new ATOM 1222 N ALA A 88 3.936 -6.245 15.139 1.00 23.31 N ATOM 1223 CA ALA A 88 3.666 -7.541 15.733 1.00 4.12 C ATOM 1224 C ALA A 88 3.299 -8.587 14.667 1.00 23.15 C ATOM 1225 O ALA A 88 2.358 -9.367 14.862 1.00 5.12 O ATOM 1226 CB ALA A 88 2.532 -7.345 16.744 1.00 53.42 C ATOM 0 H ALA A 88 3.233 -5.994 14.444 1.00 23.31 H new ATOM 0 HA ALA A 88 4.557 -7.924 16.230 1.00 4.12 H new ATOM 0 HB1 ALA A 88 2.296 -8.299 17.216 1.00 53.42 H new ATOM 0 HB2 ALA A 88 2.843 -6.630 17.506 1.00 53.42 H new ATOM 0 HB3 ALA A 88 1.648 -6.966 16.231 1.00 53.42 H new ATOM 1232 N LEU A 89 3.951 -8.586 13.499 1.00 12.13 N ATOM 1233 CA LEU A 89 3.808 -9.675 12.519 1.00 5.13 C ATOM 1234 C LEU A 89 5.078 -9.878 11.703 1.00 52.12 C ATOM 1235 O LEU A 89 5.890 -8.960 11.599 1.00 32.25 O ATOM 1236 CB LEU A 89 2.587 -9.444 11.607 1.00 11.53 C ATOM 1237 CG LEU A 89 2.666 -8.185 10.725 1.00 61.32 C ATOM 1238 CD1 LEU A 89 3.302 -8.420 9.361 1.00 24.44 C ATOM 1239 CD2 LEU A 89 1.251 -7.661 10.468 1.00 14.15 C ATOM 0 H LEU A 89 4.585 -7.842 13.206 1.00 12.13 H new ATOM 0 HA LEU A 89 3.639 -10.594 13.080 1.00 5.13 H new ATOM 0 HB2 LEU A 89 2.463 -10.314 10.962 1.00 11.53 H new ATOM 0 HB3 LEU A 89 1.694 -9.379 12.229 1.00 11.53 H new ATOM 0 HG LEU A 89 3.291 -7.480 11.274 1.00 61.32 H new ATOM 0 HD11 LEU A 89 3.320 -7.485 8.802 1.00 24.44 H new ATOM 0 HD12 LEU A 89 4.321 -8.784 9.493 1.00 24.44 H new ATOM 0 HD13 LEU A 89 2.721 -9.160 8.811 1.00 24.44 H new ATOM 0 HD21 LEU A 89 1.301 -6.769 9.844 1.00 14.15 H new ATOM 0 HD22 LEU A 89 0.666 -8.427 9.960 1.00 14.15 H new ATOM 0 HD23 LEU A 89 0.777 -7.413 11.418 1.00 14.15 H new ATOM 1250 N HIS A 90 5.214 -11.057 11.086 1.00 43.12 N ATOM 1251 CA HIS A 90 6.348 -11.444 10.255 1.00 31.44 C ATOM 1252 C HIS A 90 5.975 -12.666 9.385 1.00 2.24 C ATOM 1253 O HIS A 90 6.179 -13.801 9.812 1.00 4.23 O ATOM 1254 CB HIS A 90 7.548 -11.745 11.168 1.00 31.04 C ATOM 1255 CG HIS A 90 8.800 -12.219 10.477 1.00 1.25 C ATOM 1256 ND1 HIS A 90 9.234 -13.520 10.421 1.00 34.25 N ATOM 1257 CD2 HIS A 90 9.776 -11.429 9.937 1.00 65.14 C ATOM 1258 CE1 HIS A 90 10.457 -13.516 9.866 1.00 44.14 C ATOM 1259 NE2 HIS A 90 10.849 -12.258 9.574 1.00 31.33 N ATOM 0 H HIS A 90 4.509 -11.791 11.157 1.00 43.12 H new ATOM 0 HA HIS A 90 6.617 -10.632 9.579 1.00 31.44 H new ATOM 0 HB2 HIS A 90 7.787 -10.843 11.731 1.00 31.04 H new ATOM 0 HB3 HIS A 90 7.247 -12.502 11.892 1.00 31.04 H new ATOM 0 HD2 HIS A 90 9.730 -10.357 9.812 1.00 65.14 H new ATOM 0 HE1 HIS A 90 11.047 -14.401 9.679 1.00 44.14 H new ATOM 0 HE2 HIS A 90 11.741 -11.969 9.172 1.00 31.33 H new ATOM 1266 N PRO A 91 5.358 -12.488 8.204 1.00 3.34 N ATOM 1267 CA PRO A 91 5.143 -13.586 7.260 1.00 4.11 C ATOM 1268 C PRO A 91 6.471 -14.021 6.597 1.00 51.53 C ATOM 1269 O PRO A 91 7.445 -13.262 6.614 1.00 71.31 O ATOM 1270 CB PRO A 91 4.147 -13.031 6.237 1.00 25.32 C ATOM 1271 CG PRO A 91 4.434 -11.534 6.240 1.00 25.02 C ATOM 1272 CD PRO A 91 4.818 -11.242 7.687 1.00 21.32 C ATOM 0 HA PRO A 91 4.760 -14.483 7.747 1.00 4.11 H new ATOM 0 HB2 PRO A 91 4.300 -13.467 5.250 1.00 25.32 H new ATOM 0 HB3 PRO A 91 3.117 -13.243 6.523 1.00 25.32 H new ATOM 0 HG2 PRO A 91 5.241 -11.280 5.553 1.00 25.02 H new ATOM 0 HG3 PRO A 91 3.561 -10.958 5.934 1.00 25.02 H new ATOM 0 HD2 PRO A 91 5.555 -10.441 7.743 1.00 21.32 H new ATOM 0 HD3 PRO A 91 3.952 -10.919 8.265 1.00 21.32 H new ATOM 1277 N PRO A 92 6.519 -15.190 5.925 1.00 41.30 N ATOM 1278 CA PRO A 92 7.755 -15.773 5.384 1.00 31.14 C ATOM 1279 C PRO A 92 8.336 -15.049 4.163 1.00 54.24 C ATOM 1280 O PRO A 92 9.325 -15.506 3.592 1.00 52.14 O ATOM 1281 CB PRO A 92 7.398 -17.226 5.041 1.00 41.32 C ATOM 1282 CG PRO A 92 5.908 -17.147 4.719 1.00 25.45 C ATOM 1283 CD PRO A 92 5.408 -16.113 5.725 1.00 25.02 C ATOM 0 HA PRO A 92 8.547 -15.684 6.127 1.00 31.14 H new ATOM 0 HB2 PRO A 92 7.975 -17.594 4.193 1.00 41.32 H new ATOM 0 HB3 PRO A 92 7.595 -17.898 5.876 1.00 41.32 H new ATOM 0 HG2 PRO A 92 5.731 -16.832 3.691 1.00 25.45 H new ATOM 0 HG3 PRO A 92 5.413 -18.110 4.847 1.00 25.45 H new ATOM 0 HD2 PRO A 92 4.529 -15.592 5.347 1.00 25.02 H new ATOM 0 HD3 PRO A 92 5.119 -16.587 6.663 1.00 25.02 H new ATOM 1288 N LEU A 93 7.725 -13.951 3.713 1.00 42.40 N ATOM 1289 CA LEU A 93 8.030 -13.323 2.432 1.00 22.32 C ATOM 1290 C LEU A 93 9.264 -12.410 2.534 1.00 52.52 C ATOM 1291 O LEU A 93 9.234 -11.251 2.118 1.00 71.04 O ATOM 1292 CB LEU A 93 6.765 -12.609 1.918 1.00 14.52 C ATOM 1293 CG LEU A 93 6.530 -12.664 0.399 1.00 12.12 C ATOM 1294 CD1 LEU A 93 7.635 -12.007 -0.429 1.00 72.04 C ATOM 1295 CD2 LEU A 93 6.287 -14.098 -0.072 1.00 71.02 C ATOM 0 H LEU A 93 6.995 -13.469 4.238 1.00 42.40 H new ATOM 0 HA LEU A 93 8.305 -14.078 1.696 1.00 22.32 H new ATOM 0 HB2 LEU A 93 5.899 -13.044 2.416 1.00 14.52 H new ATOM 0 HB3 LEU A 93 6.814 -11.563 2.220 1.00 14.52 H new ATOM 0 HG LEU A 93 5.632 -12.071 0.226 1.00 12.12 H new ATOM 0 HD11 LEU A 93 7.393 -12.089 -1.489 1.00 72.04 H new ATOM 0 HD12 LEU A 93 7.718 -10.955 -0.156 1.00 72.04 H new ATOM 0 HD13 LEU A 93 8.583 -12.508 -0.234 1.00 72.04 H new ATOM 0 HD21 LEU A 93 6.124 -14.104 -1.150 1.00 71.02 H new ATOM 0 HD22 LEU A 93 7.155 -14.712 0.167 1.00 71.02 H new ATOM 0 HD23 LEU A 93 5.408 -14.502 0.430 1.00 71.02 H new ATOM 1306 N THR A 94 10.355 -12.907 3.104 1.00 72.10 N ATOM 1307 CA THR A 94 11.661 -12.279 3.029 1.00 62.41 C ATOM 1308 C THR A 94 12.373 -12.789 1.773 1.00 71.00 C ATOM 1309 O THR A 94 12.134 -13.903 1.297 1.00 23.42 O ATOM 1310 CB THR A 94 12.411 -12.542 4.348 1.00 74.24 C ATOM 1311 OG1 THR A 94 11.760 -11.781 5.353 1.00 65.02 O ATOM 1312 CG2 THR A 94 13.881 -12.170 4.362 1.00 63.42 C ATOM 0 H THR A 94 10.353 -13.774 3.641 1.00 72.10 H new ATOM 0 HA THR A 94 11.601 -11.195 2.927 1.00 62.41 H new ATOM 0 HB THR A 94 12.384 -13.620 4.505 1.00 74.24 H new ATOM 0 HG1 THR A 94 12.112 -10.866 5.350 1.00 65.02 H new ATOM 0 HG21 THR A 94 14.305 -12.399 5.340 1.00 63.42 H new ATOM 0 HG22 THR A 94 14.408 -12.739 3.596 1.00 63.42 H new ATOM 0 HG23 THR A 94 13.989 -11.104 4.160 1.00 63.42 H new ATOM 1320 N ILE A 95 13.260 -11.938 1.265 1.00 13.45 N ATOM 1321 CA ILE A 95 14.148 -12.105 0.131 1.00 33.12 C ATOM 1322 C ILE A 95 15.500 -11.583 0.603 1.00 15.05 C ATOM 1323 O ILE A 95 15.528 -10.628 1.383 1.00 33.25 O ATOM 1324 CB ILE A 95 13.594 -11.311 -1.074 1.00 42.01 C ATOM 1325 CG1 ILE A 95 14.484 -11.469 -2.330 1.00 3.43 C ATOM 1326 CG2 ILE A 95 13.310 -9.840 -0.717 1.00 20.32 C ATOM 1327 CD1 ILE A 95 15.347 -10.255 -2.702 1.00 55.42 C ATOM 0 H ILE A 95 13.383 -11.018 1.687 1.00 13.45 H new ATOM 0 HA ILE A 95 14.237 -13.139 -0.201 1.00 33.12 H new ATOM 0 HB ILE A 95 12.629 -11.748 -1.331 1.00 42.01 H new ATOM 0 HG12 ILE A 95 15.142 -12.325 -2.179 1.00 3.43 H new ATOM 0 HG13 ILE A 95 13.842 -11.707 -3.178 1.00 3.43 H new ATOM 0 HG21 ILE A 95 12.922 -9.321 -1.594 1.00 20.32 H new ATOM 0 HG22 ILE A 95 12.574 -9.796 0.086 1.00 20.32 H new ATOM 0 HG23 ILE A 95 14.233 -9.360 -0.390 1.00 20.32 H new ATOM 0 HD11 ILE A 95 15.927 -10.481 -3.597 1.00 55.42 H new ATOM 0 HD12 ILE A 95 14.704 -9.396 -2.894 1.00 55.42 H new ATOM 0 HD13 ILE A 95 16.024 -10.024 -1.880 1.00 55.42 H new ATOM 1338 N ASP A 96 16.594 -12.193 0.151 1.00 13.21 N ATOM 1339 CA ASP A 96 18.010 -11.862 0.394 1.00 31.51 C ATOM 1340 C ASP A 96 18.430 -11.715 1.874 1.00 54.30 C ATOM 1341 O ASP A 96 19.621 -11.558 2.142 1.00 14.05 O ATOM 1342 CB ASP A 96 18.444 -10.644 -0.457 1.00 13.13 C ATOM 1343 CG ASP A 96 18.553 -10.885 -1.969 1.00 42.00 C ATOM 1344 OD1 ASP A 96 18.566 -12.063 -2.398 1.00 35.41 O ATOM 1345 OD2 ASP A 96 18.539 -9.890 -2.730 1.00 3.25 O ATOM 0 H ASP A 96 16.511 -13.011 -0.453 1.00 13.21 H new ATOM 0 HA ASP A 96 18.559 -12.745 0.067 1.00 31.51 H new ATOM 0 HB2 ASP A 96 17.732 -9.836 -0.288 1.00 13.13 H new ATOM 0 HB3 ASP A 96 19.412 -10.298 -0.093 1.00 13.13 H new ATOM 1349 N GLY A 97 17.492 -11.799 2.825 1.00 53.13 N ATOM 1350 CA GLY A 97 17.687 -11.649 4.257 1.00 31.54 C ATOM 1351 C GLY A 97 16.851 -10.551 4.931 1.00 74.31 C ATOM 1352 O GLY A 97 17.004 -10.374 6.143 1.00 30.53 O ATOM 0 H GLY A 97 16.517 -11.986 2.591 1.00 53.13 H new ATOM 0 HA2 GLY A 97 17.459 -12.600 4.738 1.00 31.54 H new ATOM 0 HA3 GLY A 97 18.741 -11.443 4.442 1.00 31.54 H new ATOM 1356 N LYS A 98 15.970 -9.812 4.232 1.00 41.02 N ATOM 1357 CA LYS A 98 15.411 -8.556 4.760 1.00 2.01 C ATOM 1358 C LYS A 98 13.986 -8.638 5.295 1.00 51.34 C ATOM 1359 O LYS A 98 13.144 -9.408 4.835 1.00 65.43 O ATOM 1360 CB LYS A 98 15.673 -7.362 3.846 1.00 45.20 C ATOM 1361 CG LYS A 98 15.050 -7.417 2.472 1.00 55.13 C ATOM 1362 CD LYS A 98 13.532 -7.370 2.535 1.00 40.10 C ATOM 1363 CE LYS A 98 13.049 -6.489 1.385 1.00 62.42 C ATOM 1364 NZ LYS A 98 11.574 -6.450 1.314 1.00 51.13 N ATOM 0 H LYS A 98 15.631 -10.063 3.303 1.00 41.02 H new ATOM 0 HA LYS A 98 15.985 -8.370 5.668 1.00 2.01 H new ATOM 0 HB2 LYS A 98 15.315 -6.463 4.348 1.00 45.20 H new ATOM 0 HB3 LYS A 98 16.751 -7.253 3.728 1.00 45.20 H new ATOM 0 HG2 LYS A 98 15.414 -6.581 1.875 1.00 55.13 H new ATOM 0 HG3 LYS A 98 15.364 -8.331 1.967 1.00 55.13 H new ATOM 0 HD2 LYS A 98 13.114 -8.373 2.450 1.00 40.10 H new ATOM 0 HD3 LYS A 98 13.201 -6.966 3.492 1.00 40.10 H new ATOM 0 HE2 LYS A 98 13.435 -5.478 1.514 1.00 62.42 H new ATOM 0 HE3 LYS A 98 13.450 -6.866 0.444 1.00 62.42 H new ATOM 0 HZ1 LYS A 98 11.281 -5.972 0.438 1.00 51.13 H new ATOM 0 HZ2 LYS A 98 11.200 -7.421 1.320 1.00 51.13 H new ATOM 0 HZ3 LYS A 98 11.201 -5.930 2.134 1.00 51.13 H new ATOM 1374 N THR A 99 13.677 -7.734 6.209 1.00 24.14 N ATOM 1375 CA THR A 99 12.355 -7.509 6.761 1.00 70.23 C ATOM 1376 C THR A 99 11.887 -6.100 6.347 1.00 61.14 C ATOM 1377 O THR A 99 12.617 -5.404 5.641 1.00 53.24 O ATOM 1378 CB THR A 99 12.416 -7.788 8.275 1.00 21.32 C ATOM 1379 OG1 THR A 99 13.716 -7.587 8.819 1.00 22.31 O ATOM 1380 CG2 THR A 99 12.029 -9.244 8.523 1.00 45.10 C ATOM 0 H THR A 99 14.377 -7.107 6.605 1.00 24.14 H new ATOM 0 HA THR A 99 11.596 -8.186 6.370 1.00 70.23 H new ATOM 0 HB THR A 99 11.731 -7.091 8.759 1.00 21.32 H new ATOM 0 HG1 THR A 99 13.701 -7.775 9.781 1.00 22.31 H new ATOM 0 HG21 THR A 99 12.068 -9.454 9.592 1.00 45.10 H new ATOM 0 HG22 THR A 99 11.018 -9.419 8.156 1.00 45.10 H new ATOM 0 HG23 THR A 99 12.724 -9.900 7.999 1.00 45.10 H new ATOM 1388 N ILE A 100 10.663 -5.682 6.675 1.00 44.30 N ATOM 1389 CA ILE A 100 9.985 -4.512 6.097 1.00 11.22 C ATOM 1390 C ILE A 100 9.765 -3.529 7.241 1.00 53.42 C ATOM 1391 O ILE A 100 9.012 -3.832 8.173 1.00 4.14 O ATOM 1392 CB ILE A 100 8.631 -4.917 5.478 1.00 10.41 C ATOM 1393 CG1 ILE A 100 8.636 -6.261 4.728 1.00 70.24 C ATOM 1394 CG2 ILE A 100 8.125 -3.787 4.574 1.00 31.51 C ATOM 1395 CD1 ILE A 100 9.657 -6.319 3.594 1.00 13.01 C ATOM 0 H ILE A 100 10.095 -6.162 7.373 1.00 44.30 H new ATOM 0 HA ILE A 100 10.586 -4.070 5.302 1.00 11.22 H new ATOM 0 HB ILE A 100 7.950 -5.073 6.314 1.00 10.41 H new ATOM 0 HG12 ILE A 100 8.845 -7.063 5.436 1.00 70.24 H new ATOM 0 HG13 ILE A 100 7.642 -6.445 4.321 1.00 70.24 H new ATOM 0 HG21 ILE A 100 7.168 -4.072 4.136 1.00 31.51 H new ATOM 0 HG22 ILE A 100 7.998 -2.879 5.163 1.00 31.51 H new ATOM 0 HG23 ILE A 100 8.848 -3.606 3.779 1.00 31.51 H new ATOM 0 HD11 ILE A 100 9.607 -7.294 3.109 1.00 13.01 H new ATOM 0 HD12 ILE A 100 9.436 -5.539 2.865 1.00 13.01 H new ATOM 0 HD13 ILE A 100 10.658 -6.166 3.997 1.00 13.01 H new ATOM 1406 N ASN A 101 10.405 -2.363 7.193 1.00 45.32 N ATOM 1407 CA ASN A 101 10.307 -1.429 8.312 1.00 44.14 C ATOM 1408 C ASN A 101 8.905 -0.854 8.397 1.00 53.32 C ATOM 1409 O ASN A 101 8.202 -0.718 7.387 1.00 73.43 O ATOM 1410 CB ASN A 101 11.338 -0.283 8.287 1.00 23.34 C ATOM 1411 CG ASN A 101 12.063 -0.145 9.626 1.00 33.12 C ATOM 1412 OD1 ASN A 101 12.198 -1.094 10.385 1.00 32.45 O ATOM 1413 ND2 ASN A 101 12.510 1.037 9.987 1.00 44.22 N ATOM 0 H ASN A 101 10.982 -2.048 6.414 1.00 45.32 H new ATOM 0 HA ASN A 101 10.537 -2.019 9.199 1.00 44.14 H new ATOM 0 HB2 ASN A 101 12.066 -0.465 7.496 1.00 23.34 H new ATOM 0 HB3 ASN A 101 10.835 0.654 8.047 1.00 23.34 H new ATOM 0 HD21 ASN A 101 12.964 1.156 10.893 1.00 44.22 H new ATOM 0 HD22 ASN A 101 12.403 1.836 9.362 1.00 44.22 H new ATOM 1419 N VAL A 102 8.514 -0.497 9.610 1.00 14.25 N ATOM 1420 CA VAL A 102 7.140 -0.202 9.980 1.00 61.42 C ATOM 1421 C VAL A 102 7.088 1.286 10.315 1.00 22.55 C ATOM 1422 O VAL A 102 7.659 1.720 11.319 1.00 51.21 O ATOM 1423 CB VAL A 102 6.728 -1.120 11.147 1.00 22.34 C ATOM 1424 CG1 VAL A 102 5.297 -0.822 11.595 1.00 33.54 C ATOM 1425 CG2 VAL A 102 6.840 -2.616 10.817 1.00 73.53 C ATOM 0 H VAL A 102 9.166 -0.402 10.389 1.00 14.25 H new ATOM 0 HA VAL A 102 6.426 -0.397 9.180 1.00 61.42 H new ATOM 0 HB VAL A 102 7.432 -0.903 11.950 1.00 22.34 H new ATOM 0 HG11 VAL A 102 5.029 -1.482 12.420 1.00 33.54 H new ATOM 0 HG12 VAL A 102 5.227 0.215 11.923 1.00 33.54 H new ATOM 0 HG13 VAL A 102 4.613 -0.986 10.762 1.00 33.54 H new ATOM 0 HG21 VAL A 102 6.535 -3.203 11.683 1.00 73.53 H new ATOM 0 HG22 VAL A 102 6.193 -2.852 9.972 1.00 73.53 H new ATOM 0 HG23 VAL A 102 7.872 -2.856 10.562 1.00 73.53 H new ATOM 1435 N GLU A 103 6.486 2.091 9.445 1.00 14.22 N ATOM 1436 CA GLU A 103 6.461 3.540 9.579 1.00 33.44 C ATOM 1437 C GLU A 103 5.236 4.120 8.859 1.00 42.22 C ATOM 1438 O GLU A 103 4.559 3.425 8.100 1.00 61.32 O ATOM 1439 CB GLU A 103 7.783 4.090 9.012 1.00 70.12 C ATOM 1440 CG GLU A 103 8.098 5.499 9.518 1.00 31.50 C ATOM 1441 CD GLU A 103 9.574 5.829 9.341 1.00 3.01 C ATOM 1442 OE1 GLU A 103 10.379 5.337 10.170 1.00 33.52 O ATOM 1443 OE2 GLU A 103 9.928 6.561 8.392 1.00 22.40 O ATOM 0 H GLU A 103 5.997 1.749 8.618 1.00 14.22 H new ATOM 0 HA GLU A 103 6.374 3.833 10.625 1.00 33.44 H new ATOM 0 HB2 GLU A 103 8.598 3.419 9.284 1.00 70.12 H new ATOM 0 HB3 GLU A 103 7.730 4.102 7.923 1.00 70.12 H new ATOM 0 HG2 GLU A 103 7.492 6.226 8.978 1.00 31.50 H new ATOM 0 HG3 GLU A 103 7.828 5.579 10.571 1.00 31.50 H new ATOM 1448 N PHE A 104 4.959 5.405 9.077 1.00 64.42 N ATOM 1449 CA PHE A 104 3.813 6.124 8.537 1.00 42.23 C ATOM 1450 C PHE A 104 4.325 7.418 7.894 1.00 24.11 C ATOM 1451 O PHE A 104 5.370 7.938 8.300 1.00 73.11 O ATOM 1452 CB PHE A 104 2.824 6.401 9.690 1.00 23.21 C ATOM 1453 CG PHE A 104 1.398 5.976 9.410 1.00 23.20 C ATOM 1454 CD1 PHE A 104 0.620 6.699 8.492 1.00 71.13 C ATOM 1455 CD2 PHE A 104 0.847 4.841 10.039 1.00 65.22 C ATOM 1456 CE1 PHE A 104 -0.670 6.265 8.160 1.00 21.42 C ATOM 1457 CE2 PHE A 104 -0.431 4.390 9.696 1.00 31.15 C ATOM 1458 CZ PHE A 104 -1.170 5.094 8.738 1.00 3.01 C ATOM 0 H PHE A 104 5.553 5.995 9.659 1.00 64.42 H new ATOM 0 HA PHE A 104 3.289 5.546 7.776 1.00 42.23 H new ATOM 0 HB2 PHE A 104 3.174 5.885 10.584 1.00 23.21 H new ATOM 0 HB3 PHE A 104 2.835 7.468 9.913 1.00 23.21 H new ATOM 0 HD1 PHE A 104 1.018 7.595 8.039 1.00 71.13 H new ATOM 0 HD2 PHE A 104 1.417 4.316 10.792 1.00 65.22 H new ATOM 0 HE1 PHE A 104 -1.273 6.830 7.464 1.00 21.42 H new ATOM 0 HE2 PHE A 104 -0.843 3.509 10.165 1.00 31.15 H new ATOM 0 HZ PHE A 104 -2.141 4.727 8.441 1.00 3.01 H new ATOM 1467 N ALA A 105 3.574 7.971 6.938 1.00 2.12 N ATOM 1468 CA ALA A 105 3.858 9.243 6.268 1.00 34.42 C ATOM 1469 C ALA A 105 2.688 10.228 6.396 1.00 54.01 C ATOM 1470 O ALA A 105 2.599 11.202 5.646 1.00 64.54 O ATOM 1471 CB ALA A 105 4.230 8.976 4.803 1.00 64.12 C ATOM 0 H ALA A 105 2.720 7.529 6.597 1.00 2.12 H new ATOM 0 HA ALA A 105 4.706 9.719 6.760 1.00 34.42 H new ATOM 0 HB1 ALA A 105 4.442 9.921 4.303 1.00 64.12 H new ATOM 0 HB2 ALA A 105 5.113 8.338 4.762 1.00 64.12 H new ATOM 0 HB3 ALA A 105 3.400 8.478 4.302 1.00 64.12 H new ATOM 1477 N LYS A 106 1.765 9.974 7.326 1.00 72.55 N ATOM 1478 CA LYS A 106 0.681 10.885 7.649 1.00 3.00 C ATOM 1479 C LYS A 106 1.231 12.135 8.314 1.00 13.22 C ATOM 1480 O LYS A 106 2.379 12.138 8.767 1.00 71.55 O ATOM 1481 CB LYS A 106 -0.384 10.166 8.489 1.00 11.31 C ATOM 1482 CG LYS A 106 -0.072 9.698 9.921 1.00 43.41 C ATOM 1483 CD LYS A 106 -0.025 10.872 10.900 1.00 64.13 C ATOM 1484 CE LYS A 106 -0.435 10.560 12.337 1.00 13.21 C ATOM 1485 NZ LYS A 106 0.328 9.447 12.913 1.00 25.33 N ATOM 0 H LYS A 106 1.755 9.117 7.879 1.00 72.55 H new ATOM 0 HA LYS A 106 0.184 11.212 6.735 1.00 3.00 H new ATOM 0 HB2 LYS A 106 -1.246 10.830 8.549 1.00 11.31 H new ATOM 0 HB3 LYS A 106 -0.697 9.287 7.926 1.00 11.31 H new ATOM 0 HG2 LYS A 106 -0.830 8.984 10.244 1.00 43.41 H new ATOM 0 HG3 LYS A 106 0.884 9.175 9.933 1.00 43.41 H new ATOM 0 HD2 LYS A 106 0.990 11.270 10.911 1.00 64.13 H new ATOM 0 HD3 LYS A 106 -0.674 11.662 10.521 1.00 64.13 H new ATOM 0 HE2 LYS A 106 -0.294 11.449 12.952 1.00 13.21 H new ATOM 0 HE3 LYS A 106 -1.498 10.319 12.363 1.00 13.21 H new ATOM 0 HZ1 LYS A 106 0.022 9.288 13.894 1.00 25.33 H new ATOM 0 HZ2 LYS A 106 0.161 8.586 12.354 1.00 25.33 H new ATOM 0 HZ3 LYS A 106 1.342 9.677 12.899 1.00 25.33 H new ATOM 1495 N GLY A 107 0.392 13.161 8.422 1.00 33.42 N ATOM 1496 CA GLY A 107 0.782 14.391 9.080 1.00 34.41 C ATOM 1497 C GLY A 107 0.528 14.269 10.576 1.00 10.10 C ATOM 1498 O GLY A 107 1.309 13.659 11.312 1.00 51.31 O ATOM 0 H GLY A 107 -0.562 13.159 8.060 1.00 33.42 H new ATOM 0 HA2 GLY A 107 1.836 14.596 8.895 1.00 34.41 H new ATOM 0 HA3 GLY A 107 0.217 15.229 8.672 1.00 34.41 H new ATOM 1502 N SER A 108 -0.608 14.790 11.029 1.00 10.03 N ATOM 1503 CA SER A 108 -1.151 14.563 12.356 1.00 2.41 C ATOM 1504 C SER A 108 -2.614 15.006 12.322 1.00 70.21 C ATOM 1505 O SER A 108 -2.990 15.837 11.493 1.00 11.32 O ATOM 1506 CB SER A 108 -0.344 15.377 13.381 1.00 44.21 C ATOM 1507 OG SER A 108 -0.689 15.056 14.712 1.00 73.41 O ATOM 0 H SER A 108 -1.193 15.402 10.460 1.00 10.03 H new ATOM 0 HA SER A 108 -1.089 13.514 12.646 1.00 2.41 H new ATOM 0 HB2 SER A 108 0.720 15.195 13.230 1.00 44.21 H new ATOM 0 HB3 SER A 108 -0.512 16.440 13.211 1.00 44.21 H new ATOM 0 HG SER A 108 -0.151 15.595 15.329 1.00 73.41 H new ATOM 1512 N LYS A 109 -3.427 14.488 13.241 1.00 5.10 N ATOM 1513 CA LYS A 109 -4.789 14.925 13.513 1.00 4.44 C ATOM 1514 C LYS A 109 -5.107 14.750 14.997 1.00 25.51 C ATOM 1515 O LYS A 109 -4.358 14.096 15.727 1.00 50.21 O ATOM 1516 CB LYS A 109 -5.763 14.121 12.643 1.00 12.43 C ATOM 1517 CG LYS A 109 -5.717 12.597 12.864 1.00 73.42 C ATOM 1518 CD LYS A 109 -7.084 11.978 12.548 1.00 11.22 C ATOM 1519 CE LYS A 109 -7.043 10.466 12.296 1.00 24.10 C ATOM 1520 NZ LYS A 109 -6.276 10.116 11.083 1.00 31.53 N ATOM 0 H LYS A 109 -3.138 13.717 13.842 1.00 5.10 H new ATOM 0 HA LYS A 109 -4.893 15.982 13.268 1.00 4.44 H new ATOM 0 HB2 LYS A 109 -6.777 14.472 12.837 1.00 12.43 H new ATOM 0 HB3 LYS A 109 -5.549 14.329 11.595 1.00 12.43 H new ATOM 0 HG2 LYS A 109 -4.952 12.152 12.228 1.00 73.42 H new ATOM 0 HG3 LYS A 109 -5.440 12.379 13.896 1.00 73.42 H new ATOM 0 HD2 LYS A 109 -7.762 12.179 13.377 1.00 11.22 H new ATOM 0 HD3 LYS A 109 -7.500 12.471 11.669 1.00 11.22 H new ATOM 0 HE2 LYS A 109 -6.599 9.969 13.159 1.00 24.10 H new ATOM 0 HE3 LYS A 109 -8.061 10.089 12.200 1.00 24.10 H new ATOM 0 HZ1 LYS A 109 -6.595 9.193 10.725 1.00 31.53 H new ATOM 0 HZ2 LYS A 109 -6.429 10.842 10.354 1.00 31.53 H new ATOM 0 HZ3 LYS A 109 -5.263 10.066 11.315 1.00 31.53 H new ATOM 1530 N ARG A 110 -6.268 15.230 15.434 1.00 23.31 N ATOM 1531 CA ARG A 110 -6.962 14.753 16.623 1.00 4.24 C ATOM 1532 C ARG A 110 -8.427 14.550 16.238 1.00 62.15 C ATOM 1533 O ARG A 110 -8.907 15.191 15.302 1.00 73.51 O ATOM 1534 CB ARG A 110 -6.783 15.735 17.798 1.00 73.34 C ATOM 1535 CG ARG A 110 -5.419 15.549 18.488 1.00 23.31 C ATOM 1536 CD ARG A 110 -5.351 16.216 19.869 1.00 12.12 C ATOM 1537 NE ARG A 110 -4.917 17.623 19.820 1.00 54.24 N ATOM 1538 CZ ARG A 110 -3.717 18.119 20.141 1.00 42.21 C ATOM 1539 NH1 ARG A 110 -2.728 17.319 20.526 1.00 44.32 N ATOM 1540 NH2 ARG A 110 -3.505 19.427 20.075 1.00 34.13 N ATOM 0 H ARG A 110 -6.764 15.982 14.956 1.00 23.31 H new ATOM 0 HA ARG A 110 -6.546 13.808 16.971 1.00 4.24 H new ATOM 0 HB2 ARG A 110 -6.871 16.759 17.434 1.00 73.34 H new ATOM 0 HB3 ARG A 110 -7.582 15.585 18.524 1.00 73.34 H new ATOM 0 HG2 ARG A 110 -5.214 14.484 18.594 1.00 23.31 H new ATOM 0 HG3 ARG A 110 -4.636 15.962 17.852 1.00 23.31 H new ATOM 0 HD2 ARG A 110 -6.333 16.163 20.338 1.00 12.12 H new ATOM 0 HD3 ARG A 110 -4.664 15.654 20.502 1.00 12.12 H new ATOM 0 HE ARG A 110 -5.613 18.298 19.504 1.00 54.24 H new ATOM 0 HH11 ARG A 110 -2.879 16.312 20.580 1.00 44.32 H new ATOM 0 HH12 ARG A 110 -1.818 17.712 20.768 1.00 44.32 H new ATOM 0 HH21 ARG A 110 -4.256 20.051 19.780 1.00 34.13 H new ATOM 0 HH22 ARG A 110 -2.591 19.808 20.319 1.00 34.13 H new ATOM 1551 N ASP A 111 -9.082 13.605 16.907 1.00 43.41 N ATOM 1552 CA ASP A 111 -10.482 13.189 16.799 1.00 43.14 C ATOM 1553 C ASP A 111 -10.604 11.972 17.713 1.00 11.24 C ATOM 1554 O ASP A 111 -9.769 11.067 17.606 1.00 53.35 O ATOM 1555 CB ASP A 111 -10.889 12.792 15.374 1.00 34.14 C ATOM 1556 CG ASP A 111 -12.278 12.153 15.395 1.00 11.12 C ATOM 1557 OD1 ASP A 111 -13.231 12.840 15.822 1.00 14.30 O ATOM 1558 OD2 ASP A 111 -12.437 10.970 15.009 1.00 14.44 O ATOM 0 H ASP A 111 -8.596 13.052 17.613 1.00 43.41 H new ATOM 0 HA ASP A 111 -11.137 14.016 17.074 1.00 43.14 H new ATOM 0 HB2 ASP A 111 -10.892 13.670 14.728 1.00 34.14 H new ATOM 0 HB3 ASP A 111 -10.163 12.093 14.959 1.00 34.14 H new ATOM 1562 N MET A 112 -11.561 11.938 18.646 1.00 13.20 N ATOM 1563 CA MET A 112 -11.697 10.802 19.553 1.00 42.04 C ATOM 1564 C MET A 112 -13.121 10.747 20.094 1.00 74.31 C ATOM 1565 O MET A 112 -13.462 11.481 21.027 1.00 43.14 O ATOM 1566 CB MET A 112 -10.657 10.892 20.689 1.00 4.43 C ATOM 1567 CG MET A 112 -10.669 9.646 21.583 1.00 61.52 C ATOM 1568 SD MET A 112 -10.234 8.098 20.742 1.00 63.31 S ATOM 1569 CE MET A 112 -10.478 6.948 22.120 1.00 4.12 C ATOM 0 H MET A 112 -12.246 12.680 18.790 1.00 13.20 H new ATOM 0 HA MET A 112 -11.504 9.877 19.010 1.00 42.04 H new ATOM 0 HB2 MET A 112 -9.663 11.020 20.260 1.00 4.43 H new ATOM 0 HB3 MET A 112 -10.859 11.775 21.296 1.00 4.43 H new ATOM 0 HG2 MET A 112 -9.974 9.802 22.408 1.00 61.52 H new ATOM 0 HG3 MET A 112 -11.662 9.539 22.019 1.00 61.52 H new ATOM 0 HE1 MET A 112 -10.256 5.933 21.791 1.00 4.12 H new ATOM 0 HE2 MET A 112 -9.813 7.217 22.941 1.00 4.12 H new ATOM 0 HE3 MET A 112 -11.513 7.001 22.459 1.00 4.12 H new ATOM 1577 N ALA A 113 -13.956 9.874 19.527 1.00 12.01 N ATOM 1578 CA ALA A 113 -15.279 9.582 20.060 1.00 63.13 C ATOM 1579 C ALA A 113 -15.673 8.154 19.706 1.00 61.11 C ATOM 1580 O ALA A 113 -16.225 7.905 18.633 1.00 45.31 O ATOM 1581 CB ALA A 113 -16.295 10.595 19.530 1.00 34.51 C ATOM 0 H ALA A 113 -13.728 9.350 18.682 1.00 12.01 H new ATOM 0 HA ALA A 113 -15.263 9.668 21.146 1.00 63.13 H new ATOM 0 HB1 ALA A 113 -17.281 10.367 19.935 1.00 34.51 H new ATOM 0 HB2 ALA A 113 -16.001 11.599 19.835 1.00 34.51 H new ATOM 0 HB3 ALA A 113 -16.328 10.541 18.442 1.00 34.51 H new ATOM 1587 N SER A 114 -15.376 7.205 20.588 1.00 31.01 N ATOM 1588 CA SER A 114 -15.915 5.858 20.521 1.00 33.15 C ATOM 1589 C SER A 114 -15.894 5.323 21.948 1.00 33.31 C ATOM 1590 O SER A 114 -14.810 5.202 22.524 1.00 73.24 O ATOM 1591 CB SER A 114 -15.106 4.998 19.534 1.00 23.23 C ATOM 1592 OG SER A 114 -15.992 4.214 18.759 1.00 71.04 O ATOM 0 H SER A 114 -14.747 7.355 21.377 1.00 31.01 H new ATOM 0 HA SER A 114 -16.936 5.838 20.139 1.00 33.15 H new ATOM 0 HB2 SER A 114 -14.506 5.636 18.886 1.00 23.23 H new ATOM 0 HB3 SER A 114 -14.414 4.355 20.077 1.00 23.23 H new ATOM 0 HG SER A 114 -15.479 3.667 18.129 1.00 71.04 H new ATOM 1597 N ASN A 115 -17.057 5.114 22.570 1.00 23.11 N ATOM 1598 CA ASN A 115 -17.163 4.562 23.922 1.00 64.02 C ATOM 1599 C ASN A 115 -18.565 4.004 24.166 1.00 61.41 C ATOM 1600 O ASN A 115 -19.539 4.560 23.653 1.00 4.55 O ATOM 1601 CB ASN A 115 -16.884 5.658 24.961 1.00 45.55 C ATOM 1602 CG ASN A 115 -17.049 5.124 26.372 1.00 61.11 C ATOM 1603 OD1 ASN A 115 -17.948 5.535 27.093 1.00 43.15 O ATOM 1604 ND2 ASN A 115 -16.223 4.179 26.778 1.00 2.42 N ATOM 0 H ASN A 115 -17.960 5.325 22.145 1.00 23.11 H new ATOM 0 HA ASN A 115 -16.431 3.761 24.018 1.00 64.02 H new ATOM 0 HB2 ASN A 115 -15.872 6.040 24.829 1.00 45.55 H new ATOM 0 HB3 ASN A 115 -17.564 6.495 24.803 1.00 45.55 H new ATOM 0 HD21 ASN A 115 -16.327 3.776 27.709 1.00 2.42 H new ATOM 0 HD22 ASN A 115 -15.480 3.851 26.161 1.00 2.42 H new ATOM 1610 N GLU A 116 -18.688 2.949 24.966 1.00 33.45 N ATOM 1611 CA GLU A 116 -19.948 2.337 25.383 1.00 73.42 C ATOM 1612 C GLU A 116 -19.723 1.542 26.677 1.00 72.42 C ATOM 1613 O GLU A 116 -18.574 1.391 27.120 1.00 74.21 O ATOM 1614 CB GLU A 116 -20.500 1.441 24.258 1.00 13.45 C ATOM 1615 CG GLU A 116 -19.528 0.363 23.740 1.00 10.42 C ATOM 1616 CD GLU A 116 -19.406 0.429 22.218 1.00 33.34 C ATOM 1617 OE1 GLU A 116 -18.726 1.349 21.706 1.00 45.14 O ATOM 1618 OE2 GLU A 116 -20.044 -0.395 21.525 1.00 63.32 O ATOM 0 H GLU A 116 -17.875 2.475 25.360 1.00 33.45 H new ATOM 0 HA GLU A 116 -20.689 3.112 25.580 1.00 73.42 H new ATOM 0 HB2 GLU A 116 -21.404 0.950 24.618 1.00 13.45 H new ATOM 0 HB3 GLU A 116 -20.793 2.075 23.421 1.00 13.45 H new ATOM 0 HG2 GLU A 116 -18.547 0.503 24.194 1.00 10.42 H new ATOM 0 HG3 GLU A 116 -19.880 -0.624 24.039 1.00 10.42 H new ATOM 1623 N GLY A 117 -20.799 1.005 27.263 1.00 1.13 N ATOM 1624 CA GLY A 117 -20.764 0.249 28.514 1.00 21.33 C ATOM 1625 C GLY A 117 -21.871 -0.801 28.650 1.00 33.45 C ATOM 1626 O GLY A 117 -22.030 -1.368 29.731 1.00 64.24 O ATOM 0 H GLY A 117 -21.737 1.087 26.870 1.00 1.13 H new ATOM 0 HA2 GLY A 117 -19.797 -0.247 28.598 1.00 21.33 H new ATOM 0 HA3 GLY A 117 -20.837 0.947 29.348 1.00 21.33 H new ATOM 1630 N SER A 118 -22.652 -1.079 27.600 1.00 34.11 N ATOM 1631 CA SER A 118 -23.785 -2.002 27.663 1.00 42.24 C ATOM 1632 C SER A 118 -23.746 -2.953 26.467 1.00 72.13 C ATOM 1633 O SER A 118 -24.102 -2.574 25.348 1.00 32.25 O ATOM 1634 CB SER A 118 -25.098 -1.216 27.795 1.00 1.31 C ATOM 1635 OG SER A 118 -25.191 -0.157 26.859 1.00 70.22 O ATOM 0 H SER A 118 -22.513 -0.666 26.678 1.00 34.11 H new ATOM 0 HA SER A 118 -23.719 -2.628 28.553 1.00 42.24 H new ATOM 0 HB2 SER A 118 -25.940 -1.895 27.656 1.00 1.31 H new ATOM 0 HB3 SER A 118 -25.177 -0.813 28.805 1.00 1.31 H new ATOM 0 HG SER A 118 -24.900 -0.473 25.978 1.00 70.22 H new ATOM 1640 N ARG A 119 -23.243 -4.173 26.671 1.00 43.24 N ATOM 1641 CA ARG A 119 -23.082 -5.162 25.620 1.00 41.51 C ATOM 1642 C ARG A 119 -23.142 -6.533 26.275 1.00 14.22 C ATOM 1643 O ARG A 119 -22.170 -6.990 26.867 1.00 63.33 O ATOM 1644 CB ARG A 119 -21.777 -4.895 24.847 1.00 13.55 C ATOM 1645 CG ARG A 119 -21.331 -6.045 23.935 1.00 14.31 C ATOM 1646 CD ARG A 119 -22.404 -6.562 22.973 1.00 70.32 C ATOM 1647 NE ARG A 119 -21.902 -7.761 22.283 1.00 5.11 N ATOM 1648 CZ ARG A 119 -22.391 -8.300 21.165 1.00 54.41 C ATOM 1649 NH1 ARG A 119 -23.377 -7.728 20.490 1.00 50.23 N ATOM 1650 NH2 ARG A 119 -21.897 -9.438 20.711 1.00 22.32 N ATOM 0 H ARG A 119 -22.934 -4.499 27.587 1.00 43.24 H new ATOM 0 HA ARG A 119 -23.877 -5.108 24.876 1.00 41.51 H new ATOM 0 HB2 ARG A 119 -21.905 -3.997 24.242 1.00 13.55 H new ATOM 0 HB3 ARG A 119 -20.982 -4.686 25.563 1.00 13.55 H new ATOM 0 HG2 ARG A 119 -20.471 -5.714 23.352 1.00 14.31 H new ATOM 0 HG3 ARG A 119 -20.994 -6.873 24.558 1.00 14.31 H new ATOM 0 HD2 ARG A 119 -23.316 -6.799 23.521 1.00 70.32 H new ATOM 0 HD3 ARG A 119 -22.660 -5.791 22.247 1.00 70.32 H new ATOM 0 HE ARG A 119 -21.098 -8.228 22.703 1.00 5.11 H new ATOM 0 HH11 ARG A 119 -23.782 -6.853 20.822 1.00 50.23 H new ATOM 0 HH12 ARG A 119 -23.731 -8.163 19.638 1.00 50.23 H new ATOM 0 HH21 ARG A 119 -21.142 -9.904 21.215 1.00 22.32 H new ATOM 0 HH22 ARG A 119 -22.270 -9.851 19.856 1.00 22.32 H new ATOM 1661 N ILE A 120 -24.297 -7.178 26.172 1.00 30.43 N ATOM 1662 CA ILE A 120 -24.544 -8.553 26.600 1.00 43.13 C ATOM 1663 C ILE A 120 -25.347 -9.307 25.523 1.00 51.52 C ATOM 1664 O ILE A 120 -25.761 -8.738 24.507 1.00 73.23 O ATOM 1665 CB ILE A 120 -25.242 -8.568 27.984 1.00 74.43 C ATOM 1666 CG1 ILE A 120 -26.529 -7.714 27.968 1.00 61.40 C ATOM 1667 CG2 ILE A 120 -24.285 -8.113 29.100 1.00 22.34 C ATOM 1668 CD1 ILE A 120 -27.536 -8.142 29.040 1.00 22.31 C ATOM 0 H ILE A 120 -25.125 -6.739 25.770 1.00 30.43 H new ATOM 0 HA ILE A 120 -23.595 -9.076 26.717 1.00 43.13 H new ATOM 0 HB ILE A 120 -25.529 -9.598 28.198 1.00 74.43 H new ATOM 0 HG12 ILE A 120 -26.267 -6.667 28.119 1.00 61.40 H new ATOM 0 HG13 ILE A 120 -26.997 -7.787 26.986 1.00 61.40 H new ATOM 0 HG21 ILE A 120 -24.806 -8.135 30.057 1.00 22.34 H new ATOM 0 HG22 ILE A 120 -23.426 -8.783 29.139 1.00 22.34 H new ATOM 0 HG23 ILE A 120 -23.944 -7.098 28.896 1.00 22.34 H new ATOM 0 HD11 ILE A 120 -28.421 -7.508 28.982 1.00 22.31 H new ATOM 0 HD12 ILE A 120 -27.823 -9.181 28.876 1.00 22.31 H new ATOM 0 HD13 ILE A 120 -27.082 -8.043 30.026 1.00 22.31 H new ATOM 1679 N SER A 121 -25.585 -10.595 25.762 1.00 43.21 N ATOM 1680 CA SER A 121 -26.394 -11.497 24.953 1.00 73.14 C ATOM 1681 C SER A 121 -27.719 -11.766 25.688 1.00 12.41 C ATOM 1682 O SER A 121 -27.872 -11.364 26.843 1.00 72.14 O ATOM 1683 CB SER A 121 -25.550 -12.769 24.750 1.00 50.53 C ATOM 1684 OG SER A 121 -26.088 -13.681 23.813 1.00 14.41 O ATOM 0 H SER A 121 -25.192 -11.064 26.578 1.00 43.21 H new ATOM 0 HA SER A 121 -26.656 -11.084 23.979 1.00 73.14 H new ATOM 0 HB2 SER A 121 -24.551 -12.480 24.425 1.00 50.53 H new ATOM 0 HB3 SER A 121 -25.440 -13.275 25.709 1.00 50.53 H new ATOM 0 HG SER A 121 -25.497 -14.459 23.738 1.00 14.41 H new ATOM 1689 N ALA A 122 -28.629 -12.504 25.042 1.00 13.51 N ATOM 1690 CA ALA A 122 -29.855 -13.082 25.601 1.00 62.33 C ATOM 1691 C ALA A 122 -30.781 -12.091 26.329 1.00 21.12 C ATOM 1692 O ALA A 122 -31.444 -12.479 27.287 1.00 44.50 O ATOM 1693 CB ALA A 122 -29.492 -14.312 26.450 1.00 1.13 C ATOM 0 H ALA A 122 -28.521 -12.727 24.053 1.00 13.51 H new ATOM 0 HA ALA A 122 -30.471 -13.394 24.758 1.00 62.33 H new ATOM 0 HB1 ALA A 122 -30.400 -14.746 26.868 1.00 1.13 H new ATOM 0 HB2 ALA A 122 -28.991 -15.051 25.824 1.00 1.13 H new ATOM 0 HB3 ALA A 122 -28.827 -14.012 27.260 1.00 1.13 H new ATOM 1699 N ALA A 123 -30.870 -10.841 25.861 1.00 10.12 N ATOM 1700 CA ALA A 123 -31.633 -9.780 26.518 1.00 14.34 C ATOM 1701 C ALA A 123 -33.103 -10.134 26.793 1.00 50.54 C ATOM 1702 O ALA A 123 -33.630 -9.713 27.820 1.00 41.22 O ATOM 1703 CB ALA A 123 -31.560 -8.498 25.681 1.00 33.23 C ATOM 0 H ALA A 123 -30.407 -10.537 25.004 1.00 10.12 H new ATOM 0 HA ALA A 123 -31.170 -9.637 27.494 1.00 14.34 H new ATOM 0 HB1 ALA A 123 -32.129 -7.709 26.173 1.00 33.23 H new ATOM 0 HB2 ALA A 123 -30.520 -8.187 25.582 1.00 33.23 H new ATOM 0 HB3 ALA A 123 -31.979 -8.685 24.692 1.00 33.23 H new ATOM 1709 N SER A 124 -33.789 -10.836 25.883 1.00 25.04 N ATOM 1710 CA SER A 124 -35.175 -11.260 26.068 1.00 64.01 C ATOM 1711 C SER A 124 -35.535 -12.334 25.032 1.00 42.53 C ATOM 1712 O SER A 124 -34.755 -12.616 24.116 1.00 43.54 O ATOM 1713 CB SER A 124 -36.104 -10.035 25.959 1.00 64.22 C ATOM 1714 OG SER A 124 -37.403 -10.335 26.430 1.00 24.02 O ATOM 0 H SER A 124 -33.390 -11.127 24.990 1.00 25.04 H new ATOM 0 HA SER A 124 -35.301 -11.697 27.058 1.00 64.01 H new ATOM 0 HB2 SER A 124 -35.688 -9.208 26.534 1.00 64.22 H new ATOM 0 HB3 SER A 124 -36.157 -9.707 24.921 1.00 64.22 H new ATOM 0 HG SER A 124 -37.971 -9.540 26.351 1.00 24.02 H new ATOM 1719 N VAL A 125 -36.730 -12.911 25.154 1.00 11.42 N ATOM 1720 CA VAL A 125 -37.360 -13.818 24.206 1.00 70.30 C ATOM 1721 C VAL A 125 -38.874 -13.595 24.320 1.00 13.11 C ATOM 1722 O VAL A 125 -39.363 -13.229 25.388 1.00 13.25 O ATOM 1723 CB VAL A 125 -36.904 -15.269 24.495 1.00 4.15 C ATOM 1724 CG1 VAL A 125 -37.260 -15.768 25.906 1.00 32.41 C ATOM 1725 CG2 VAL A 125 -37.448 -16.263 23.457 1.00 23.32 C ATOM 0 H VAL A 125 -37.318 -12.744 25.971 1.00 11.42 H new ATOM 0 HA VAL A 125 -37.067 -13.627 23.174 1.00 70.30 H new ATOM 0 HB VAL A 125 -35.817 -15.227 24.427 1.00 4.15 H new ATOM 0 HG11 VAL A 125 -36.907 -16.792 26.030 1.00 32.41 H new ATOM 0 HG12 VAL A 125 -36.784 -15.128 26.649 1.00 32.41 H new ATOM 0 HG13 VAL A 125 -38.341 -15.738 26.040 1.00 32.41 H new ATOM 0 HG21 VAL A 125 -37.103 -17.268 23.700 1.00 23.32 H new ATOM 0 HG22 VAL A 125 -38.538 -16.241 23.468 1.00 23.32 H new ATOM 0 HG23 VAL A 125 -37.090 -15.986 22.465 1.00 23.32 H new ATOM 1735 N ALA A 126 -39.621 -13.806 23.231 1.00 32.24 N ATOM 1736 CA ALA A 126 -41.064 -13.558 23.166 1.00 71.01 C ATOM 1737 C ALA A 126 -41.817 -14.678 22.433 1.00 52.11 C ATOM 1738 O ALA A 126 -42.986 -14.517 22.099 1.00 74.21 O ATOM 1739 CB ALA A 126 -41.303 -12.197 22.498 1.00 62.10 C ATOM 0 H ALA A 126 -39.233 -14.160 22.356 1.00 32.24 H new ATOM 0 HA ALA A 126 -41.460 -13.544 24.181 1.00 71.01 H new ATOM 0 HB1 ALA A 126 -42.374 -12.001 22.444 1.00 62.10 H new ATOM 0 HB2 ALA A 126 -40.820 -11.415 23.083 1.00 62.10 H new ATOM 0 HB3 ALA A 126 -40.885 -12.207 21.491 1.00 62.10 H new ATOM 1745 N SER A 127 -41.152 -15.797 22.139 1.00 32.02 N ATOM 1746 CA SER A 127 -41.596 -16.798 21.173 1.00 31.01 C ATOM 1747 C SER A 127 -41.708 -18.202 21.785 1.00 73.44 C ATOM 1748 O SER A 127 -41.784 -19.187 21.052 1.00 43.21 O ATOM 1749 CB SER A 127 -40.632 -16.734 19.978 1.00 13.55 C ATOM 1750 OG SER A 127 -39.278 -16.710 20.413 1.00 25.43 O ATOM 0 H SER A 127 -40.264 -16.037 22.580 1.00 32.02 H new ATOM 0 HA SER A 127 -42.610 -16.577 20.839 1.00 31.01 H new ATOM 0 HB2 SER A 127 -40.794 -17.595 19.330 1.00 13.55 H new ATOM 0 HB3 SER A 127 -40.842 -15.844 19.384 1.00 13.55 H new ATOM 0 HG SER A 127 -38.685 -16.671 19.634 1.00 25.43 H new ATOM 1755 N THR A 128 -41.653 -18.314 23.111 1.00 52.34 N ATOM 1756 CA THR A 128 -41.754 -19.574 23.828 1.00 50.41 C ATOM 1757 C THR A 128 -43.151 -20.169 23.603 1.00 32.01 C ATOM 1758 O THR A 128 -44.150 -19.540 23.953 1.00 24.12 O ATOM 1759 CB THR A 128 -41.468 -19.318 25.319 1.00 30.42 C ATOM 1760 OG1 THR A 128 -40.373 -18.424 25.467 1.00 72.23 O ATOM 1761 CG2 THR A 128 -41.135 -20.618 26.058 1.00 11.53 C ATOM 0 H THR A 128 -41.534 -17.510 23.727 1.00 52.34 H new ATOM 0 HA THR A 128 -41.023 -20.295 23.461 1.00 50.41 H new ATOM 0 HB THR A 128 -42.371 -18.884 25.749 1.00 30.42 H new ATOM 0 HG1 THR A 128 -40.204 -18.269 26.420 1.00 72.23 H new ATOM 0 HG21 THR A 128 -40.939 -20.400 27.108 1.00 11.53 H new ATOM 0 HG22 THR A 128 -41.977 -21.306 25.982 1.00 11.53 H new ATOM 0 HG23 THR A 128 -40.252 -21.075 25.611 1.00 11.53 H new ATOM 1769 N ALA A 129 -43.220 -21.371 23.028 1.00 50.44 N ATOM 1770 CA ALA A 129 -44.437 -22.141 22.811 1.00 65.14 C ATOM 1771 C ALA A 129 -44.116 -23.623 23.042 1.00 53.24 C ATOM 1772 O ALA A 129 -42.991 -23.959 23.419 1.00 74.30 O ATOM 1773 CB ALA A 129 -44.961 -21.878 21.390 1.00 24.35 C ATOM 0 H ALA A 129 -42.388 -21.853 22.687 1.00 50.44 H new ATOM 0 HA ALA A 129 -45.221 -21.844 23.507 1.00 65.14 H new ATOM 0 HB1 ALA A 129 -45.872 -22.454 21.226 1.00 24.35 H new ATOM 0 HB2 ALA A 129 -45.177 -20.816 21.272 1.00 24.35 H new ATOM 0 HB3 ALA A 129 -44.206 -22.178 20.663 1.00 24.35 H new ATOM 1779 N ILE A 130 -45.099 -24.492 22.813 1.00 33.11 N ATOM 1780 CA ILE A 130 -44.910 -25.932 22.659 1.00 1.25 C ATOM 1781 C ILE A 130 -45.076 -26.278 21.173 1.00 53.51 C ATOM 1782 O ILE A 130 -45.450 -25.413 20.375 1.00 34.31 O ATOM 1783 CB ILE A 130 -45.882 -26.726 23.570 1.00 45.14 C ATOM 1784 CG1 ILE A 130 -47.367 -26.468 23.220 1.00 44.52 C ATOM 1785 CG2 ILE A 130 -45.586 -26.414 25.049 1.00 45.51 C ATOM 1786 CD1 ILE A 130 -48.335 -27.437 23.910 1.00 65.11 C ATOM 0 H ILE A 130 -46.074 -24.206 22.727 1.00 33.11 H new ATOM 0 HA ILE A 130 -43.908 -26.220 22.978 1.00 1.25 H new ATOM 0 HB ILE A 130 -45.712 -27.788 23.393 1.00 45.14 H new ATOM 0 HG12 ILE A 130 -47.626 -25.447 23.500 1.00 44.52 H new ATOM 0 HG13 ILE A 130 -47.496 -26.545 22.140 1.00 44.52 H new ATOM 0 HG21 ILE A 130 -46.272 -26.975 25.684 1.00 45.51 H new ATOM 0 HG22 ILE A 130 -44.560 -26.699 25.283 1.00 45.51 H new ATOM 0 HG23 ILE A 130 -45.716 -25.347 25.229 1.00 45.51 H new ATOM 0 HD11 ILE A 130 -49.358 -27.198 23.619 1.00 65.11 H new ATOM 0 HD12 ILE A 130 -48.102 -28.459 23.610 1.00 65.11 H new ATOM 0 HD13 ILE A 130 -48.234 -27.344 24.991 1.00 65.11 H new ATOM 1797 N ALA A 131 -44.834 -27.538 20.829 1.00 25.35 N ATOM 1798 CA ALA A 131 -45.228 -28.205 19.605 1.00 72.14 C ATOM 1799 C ALA A 131 -45.692 -29.600 20.020 1.00 64.23 C ATOM 1800 O ALA A 131 -45.360 -29.988 21.166 1.00 5.35 O ATOM 1801 CB ALA A 131 -44.053 -28.274 18.624 1.00 63.03 C ATOM 0 H ALA A 131 -44.318 -28.162 21.449 1.00 25.35 H new ATOM 0 HA ALA A 131 -46.023 -27.666 19.090 1.00 72.14 H new ATOM 0 HB1 ALA A 131 -44.370 -28.779 17.711 1.00 63.03 H new ATOM 0 HB2 ALA A 131 -43.720 -27.264 18.383 1.00 63.03 H new ATOM 0 HB3 ALA A 131 -43.232 -28.828 19.078 1.00 63.03 H new TER 1807 ALA A 131