USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 782 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 73 TYR OH : rot -1:sc= 1.24 USER MOD Set 1.2: A 83 THR OG1 : rot 135:sc= 1.08 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.872 K(o=2.7,f=2) USER MOD Set 2.2: A 72 GLN : amide:sc= 1.33 K(o=2.7,f=2) USER MOD Set 2.3: A 87 SER OG : rot 167:sc= 0.513 USER MOD Set 2.4: A 121 MET CE :methyl 176:sc= -0.0403 (180deg=-0.0587) USER MOD Set 3.1: A 42 GLN : amide:sc= 0.231 K(o=0.45,f=-0.25) USER MOD Set 3.2: A 44 SER OG : rot 180:sc= 0.222 USER MOD Set 4.1: A 41 SER OG : rot 162:sc= 1.53 USER MOD Set 4.2: A 43 TYR OH : rot 130:sc= 0.323 USER MOD Set 4.3: A 53 THR OG1 : rot -144:sc= 1.6 USER MOD Set 5.1: A 14 ASN : amide:sc= 0.943 K(o=2.8,f=0.34) USER MOD Set 5.2: A 29 ASN : amide:sc= 1.87 K(o=2.8,f=-1.1) USER MOD Set 6.1: A 12 THR OG1 : rot -78:sc= 1.95 USER MOD Set 6.2: A 15 SER OG : rot 135:sc= 1.64 USER MOD Set 7.1: A 8 ASN : amide:sc= 0.61 K(o=2.1,f=0.42) USER MOD Set 7.2: A 24 ASN : amide:sc= 1.48 K(o=2.1,f=-0.12) USER MOD Set 7.3: A 26 TYR OH : rot 180:sc= 0.00763 USER MOD Set 8.1: A 6 ASN : amide:sc= 0.732 K(o=1.4,f=-11!) USER MOD Set 8.2: A 9 SER OG : rot 86:sc= 0.665 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0182 K(o=-0.018,f=-3.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 130:sc= 1.16 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 75:sc= 1.96 USER MOD Single : A 31 GLN : amide:sc= -0.586 X(o=-0.59,f=-1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 72:sc= 1.57 USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 47 ASN : amide:sc= -0.0509 X(o=-0.051,f=-0.36) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.05) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 1.06 (180deg=0.338) USER MOD Single : A 51 SER OG : rot 67:sc= 1.54 USER MOD Single : A 54 THR OG1 : rot -1:sc= 0.297 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 1.05 (180deg=0.9) USER MOD Single : A 61 SER OG : rot 61:sc= 1.71 USER MOD Single : A 62 GLN : amide:sc= -0.67 X(o=-0.67,f=-0.72) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 71:sc= 1.46 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 67:sc= 1.33 USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=-0.32) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 60:sc= 1.75 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 13:sc= 0.585 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.858 USER MOD Single : A 96 SER OG : rot 71:sc= 0.359 USER MOD Single : A 97 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 11.022 -2.615 -1.541 1.00 0.00 N ATOM 47 CA VAL A 5 11.656 -1.564 -2.329 1.00 0.00 C ATOM 48 C VAL A 5 13.154 -1.840 -2.218 1.00 0.00 C ATOM 49 O VAL A 5 13.675 -1.907 -1.106 1.00 0.00 O ATOM 50 CB VAL A 5 11.245 -0.172 -1.794 1.00 0.00 C ATOM 51 CG1 VAL A 5 11.869 0.953 -2.635 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.718 0.020 -1.787 1.00 0.00 C ATOM 0 HA VAL A 5 11.350 -1.562 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 5 11.614 -0.122 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.562 1.919 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.956 0.874 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.532 0.865 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.478 1.012 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.334 -0.079 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.259 -0.736 -1.150 1.00 0.00 H new ATOM 62 N ASN A 6 13.844 -2.046 -3.343 1.00 0.00 N ATOM 63 CA ASN A 6 15.235 -2.497 -3.346 1.00 0.00 C ATOM 64 C ASN A 6 16.065 -1.649 -4.306 1.00 0.00 C ATOM 65 O ASN A 6 15.652 -1.408 -5.443 1.00 0.00 O ATOM 66 CB ASN A 6 15.318 -3.987 -3.729 1.00 0.00 C ATOM 67 CG ASN A 6 16.749 -4.518 -3.667 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.619 -3.916 -3.049 1.00 0.00 O ATOM 69 ND2 ASN A 6 17.043 -5.645 -4.294 1.00 0.00 N ATOM 0 H ASN A 6 13.454 -1.905 -4.275 1.00 0.00 H new ATOM 0 HA ASN A 6 15.641 -2.379 -2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.687 -4.569 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.924 -4.124 -4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.994 -6.013 -4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.319 -6.146 -4.808 1.00 0.00 H new ATOM 76 N THR A 7 17.255 -1.256 -3.858 1.00 0.00 N ATOM 77 CA THR A 7 18.300 -0.624 -4.638 1.00 0.00 C ATOM 78 C THR A 7 19.565 -1.465 -4.427 1.00 0.00 C ATOM 79 O THR A 7 20.267 -1.308 -3.429 1.00 0.00 O ATOM 80 CB THR A 7 18.459 0.847 -4.202 1.00 0.00 C ATOM 81 OG1 THR A 7 17.210 1.521 -4.240 1.00 0.00 O ATOM 82 CG2 THR A 7 19.432 1.605 -5.110 1.00 0.00 C ATOM 0 H THR A 7 17.525 -1.381 -2.882 1.00 0.00 H new ATOM 0 HA THR A 7 18.070 -0.590 -5.703 1.00 0.00 H new ATOM 0 HB THR A 7 18.851 0.829 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.332 2.452 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.517 2.637 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.412 1.128 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.061 1.589 -6.135 1.00 0.00 H new ATOM 90 N ASN A 8 19.839 -2.376 -5.368 1.00 0.00 N ATOM 91 CA ASN A 8 21.035 -3.226 -5.459 1.00 0.00 C ATOM 92 C ASN A 8 21.345 -4.100 -4.229 1.00 0.00 C ATOM 93 O ASN A 8 22.467 -4.594 -4.098 1.00 0.00 O ATOM 94 CB ASN A 8 22.251 -2.381 -5.893 1.00 0.00 C ATOM 95 CG ASN A 8 23.362 -3.243 -6.497 1.00 0.00 C ATOM 96 OD1 ASN A 8 23.142 -3.952 -7.477 1.00 0.00 O ATOM 97 ND2 ASN A 8 24.574 -3.193 -5.970 1.00 0.00 N ATOM 0 H ASN A 8 19.191 -2.551 -6.136 1.00 0.00 H new ATOM 0 HA ASN A 8 20.802 -3.965 -6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.933 -1.636 -6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.641 -1.838 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 8 25.330 -3.744 -6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 8 24.753 -2.604 -5.157 1.00 0.00 H new ATOM 104 N SER A 9 20.402 -4.313 -3.310 1.00 0.00 N ATOM 105 CA SER A 9 20.576 -5.291 -2.237 1.00 0.00 C ATOM 106 C SER A 9 20.435 -6.706 -2.783 1.00 0.00 C ATOM 107 O SER A 9 19.787 -6.928 -3.812 1.00 0.00 O ATOM 108 CB SER A 9 19.555 -5.088 -1.115 1.00 0.00 C ATOM 109 OG SER A 9 19.474 -3.718 -0.790 1.00 0.00 O ATOM 0 H SER A 9 19.509 -3.820 -3.288 1.00 0.00 H new ATOM 0 HA SER A 9 21.576 -5.146 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.578 -5.456 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.846 -5.664 -0.236 1.00 0.00 H new ATOM 0 HG SER A 9 18.835 -3.277 -1.388 1.00 0.00 H new ATOM 115 N GLN A 10 20.977 -7.660 -2.030 1.00 0.00 N ATOM 116 CA GLN A 10 20.885 -9.083 -2.282 1.00 0.00 C ATOM 117 C GLN A 10 20.022 -9.675 -1.172 1.00 0.00 C ATOM 118 O GLN A 10 20.218 -9.382 0.009 1.00 0.00 O ATOM 119 CB GLN A 10 22.313 -9.655 -2.346 1.00 0.00 C ATOM 120 CG GLN A 10 22.500 -11.100 -1.864 1.00 0.00 C ATOM 121 CD GLN A 10 21.808 -12.164 -2.726 1.00 0.00 C ATOM 122 OE1 GLN A 10 20.916 -11.881 -3.522 1.00 0.00 O ATOM 123 NE2 GLN A 10 22.201 -13.420 -2.588 1.00 0.00 N ATOM 0 H GLN A 10 21.515 -7.445 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 10 20.414 -9.330 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.658 -9.593 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.964 -9.012 -1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.567 -11.320 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.124 -11.179 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 10 22.942 -13.653 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.763 -14.155 -3.143 1.00 0.00 H new ATOM 132 N ILE A 11 19.086 -10.527 -1.576 1.00 0.00 N ATOM 133 CA ILE A 11 18.108 -11.193 -0.730 1.00 0.00 C ATOM 134 C ILE A 11 18.082 -12.647 -1.204 1.00 0.00 C ATOM 135 O ILE A 11 17.773 -12.913 -2.368 1.00 0.00 O ATOM 136 CB ILE A 11 16.722 -10.493 -0.803 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.775 -8.964 -0.547 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.767 -11.115 0.231 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.846 -8.128 -1.831 1.00 0.00 C ATOM 0 H ILE A 11 18.986 -10.784 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 11 18.374 -11.145 0.326 1.00 0.00 H new ATOM 0 HB ILE A 11 16.370 -10.644 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.893 -8.668 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.643 -8.738 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.797 -10.620 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.645 -12.177 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.181 -10.989 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.880 -7.069 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.743 -8.395 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.965 -8.325 -2.442 1.00 0.00 H new ATOM 151 N THR A 12 18.482 -13.570 -0.329 1.00 0.00 N ATOM 152 CA THR A 12 18.580 -14.994 -0.659 1.00 0.00 C ATOM 153 C THR A 12 17.191 -15.641 -0.831 1.00 0.00 C ATOM 154 O THR A 12 16.157 -15.038 -0.530 1.00 0.00 O ATOM 155 CB THR A 12 19.457 -15.719 0.383 1.00 0.00 C ATOM 156 OG1 THR A 12 19.174 -15.277 1.695 1.00 0.00 O ATOM 157 CG2 THR A 12 20.947 -15.479 0.134 1.00 0.00 C ATOM 0 H THR A 12 18.748 -13.352 0.631 1.00 0.00 H new ATOM 0 HA THR A 12 19.070 -15.095 -1.627 1.00 0.00 H new ATOM 0 HB THR A 12 19.225 -16.779 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.604 -14.410 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.531 -16.006 0.888 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.215 -15.849 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.158 -14.411 0.192 1.00 0.00 H new ATOM 165 N ALA A 13 17.163 -16.888 -1.322 1.00 0.00 N ATOM 166 CA ALA A 13 15.942 -17.607 -1.684 1.00 0.00 C ATOM 167 C ALA A 13 14.958 -17.784 -0.518 1.00 0.00 C ATOM 168 O ALA A 13 13.752 -17.862 -0.756 1.00 0.00 O ATOM 169 CB ALA A 13 16.322 -18.981 -2.245 1.00 0.00 C ATOM 0 H ALA A 13 18.010 -17.434 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 13 15.427 -17.001 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.418 -19.525 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 13 16.949 -18.853 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 13 16.870 -19.544 -1.489 1.00 0.00 H new ATOM 175 N ASN A 14 15.453 -17.844 0.725 1.00 0.00 N ATOM 176 CA ASN A 14 14.631 -18.024 1.930 1.00 0.00 C ATOM 177 C ASN A 14 14.637 -16.755 2.794 1.00 0.00 C ATOM 178 O ASN A 14 14.544 -16.803 4.025 1.00 0.00 O ATOM 179 CB ASN A 14 15.068 -19.279 2.700 1.00 0.00 C ATOM 180 CG ASN A 14 14.038 -19.669 3.763 1.00 0.00 C ATOM 181 OD1 ASN A 14 12.842 -19.744 3.492 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.466 -19.949 4.980 1.00 0.00 N ATOM 0 H ASN A 14 16.450 -17.768 0.925 1.00 0.00 H new ATOM 0 HA ASN A 14 13.595 -18.185 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.205 -20.106 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.033 -19.099 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.802 -20.230 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.460 -19.885 5.198 1.00 0.00 H new ATOM 189 N SER A 15 14.759 -15.606 2.135 1.00 0.00 N ATOM 190 CA SER A 15 14.820 -14.294 2.748 1.00 0.00 C ATOM 191 C SER A 15 13.784 -13.386 2.089 1.00 0.00 C ATOM 192 O SER A 15 13.368 -13.635 0.953 1.00 0.00 O ATOM 193 CB SER A 15 16.234 -13.748 2.576 1.00 0.00 C ATOM 194 OG SER A 15 17.151 -14.578 3.260 1.00 0.00 O ATOM 0 H SER A 15 14.820 -15.568 1.118 1.00 0.00 H new ATOM 0 HA SER A 15 14.593 -14.346 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.490 -13.702 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.291 -12.731 2.963 1.00 0.00 H new ATOM 0 HG SER A 15 17.931 -14.743 2.690 1.00 0.00 H new ATOM 200 N GLN A 16 13.343 -12.349 2.805 1.00 0.00 N ATOM 201 CA GLN A 16 12.279 -11.457 2.360 1.00 0.00 C ATOM 202 C GLN A 16 12.527 -10.056 2.916 1.00 0.00 C ATOM 203 O GLN A 16 13.102 -9.911 3.997 1.00 0.00 O ATOM 204 CB GLN A 16 10.904 -11.954 2.852 1.00 0.00 C ATOM 205 CG GLN A 16 10.494 -13.349 2.358 1.00 0.00 C ATOM 206 CD GLN A 16 9.059 -13.682 2.769 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.115 -13.494 2.005 1.00 0.00 O ATOM 208 NE2 GLN A 16 8.853 -14.173 3.982 1.00 0.00 N ATOM 0 H GLN A 16 13.722 -12.105 3.720 1.00 0.00 H new ATOM 0 HA GLN A 16 12.278 -11.438 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.907 -11.959 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.144 -11.238 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.584 -13.394 1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.175 -14.097 2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.641 -14.326 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.906 -14.398 4.287 1.00 0.00 H new ATOM 217 N CYS A 17 12.013 -9.046 2.211 1.00 0.00 N ATOM 218 CA CYS A 17 12.080 -7.635 2.581 1.00 0.00 C ATOM 219 C CYS A 17 10.660 -7.037 2.607 1.00 0.00 C ATOM 220 O CYS A 17 10.398 -6.013 1.982 1.00 0.00 O ATOM 221 CB CYS A 17 13.083 -6.898 1.676 1.00 0.00 C ATOM 222 SG CYS A 17 13.015 -7.212 -0.115 1.00 0.00 S ATOM 0 H CYS A 17 11.519 -9.197 1.331 1.00 0.00 H new ATOM 0 HA CYS A 17 12.467 -7.513 3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 17 12.948 -5.828 1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 17 14.087 -7.146 2.020 1.00 0.00 H new ATOM 0 HG CYS A 17 13.928 -6.506 -0.714 1.00 0.00 H new ATOM 227 N VAL A 18 9.727 -7.722 3.281 1.00 0.00 N ATOM 228 CA VAL A 18 8.283 -7.457 3.265 1.00 0.00 C ATOM 229 C VAL A 18 7.993 -5.993 3.635 1.00 0.00 C ATOM 230 O VAL A 18 8.218 -5.579 4.773 1.00 0.00 O ATOM 231 CB VAL A 18 7.545 -8.454 4.189 1.00 0.00 C ATOM 232 CG1 VAL A 18 6.021 -8.337 4.066 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.925 -9.916 3.885 1.00 0.00 C ATOM 0 H VAL A 18 9.970 -8.512 3.879 1.00 0.00 H new ATOM 0 HA VAL A 18 7.905 -7.608 2.254 1.00 0.00 H new ATOM 0 HB VAL A 18 7.857 -8.191 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.546 -9.056 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.710 -7.329 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.722 -8.543 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.383 -10.580 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.664 -10.153 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.997 -10.051 4.028 1.00 0.00 H new ATOM 243 N LYS A 19 7.495 -5.215 2.669 1.00 0.00 N ATOM 244 CA LYS A 19 7.298 -3.755 2.669 1.00 0.00 C ATOM 245 C LYS A 19 8.578 -2.932 2.864 1.00 0.00 C ATOM 246 O LYS A 19 8.585 -1.751 2.515 1.00 0.00 O ATOM 247 CB LYS A 19 6.245 -3.303 3.698 1.00 0.00 C ATOM 248 CG LYS A 19 4.952 -4.122 3.712 1.00 0.00 C ATOM 249 CD LYS A 19 3.890 -3.461 4.600 1.00 0.00 C ATOM 250 CE LYS A 19 2.612 -4.311 4.609 1.00 0.00 C ATOM 251 NZ LYS A 19 1.542 -3.706 5.442 1.00 0.00 N ATOM 0 H LYS A 19 7.191 -5.624 1.786 1.00 0.00 H new ATOM 0 HA LYS A 19 6.938 -3.551 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.691 -3.342 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.994 -2.261 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.570 -4.222 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.159 -5.129 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.270 -3.350 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.668 -2.459 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.251 -4.432 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.843 -5.308 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.698 -4.314 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.876 -3.614 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.301 -2.766 5.069 1.00 0.00 H new ATOM 265 N SER A 20 9.626 -3.506 3.440 1.00 0.00 N ATOM 266 CA SER A 20 10.854 -2.837 3.798 1.00 0.00 C ATOM 267 C SER A 20 11.566 -2.229 2.590 1.00 0.00 C ATOM 268 O SER A 20 11.426 -2.685 1.449 1.00 0.00 O ATOM 269 CB SER A 20 11.741 -3.839 4.534 1.00 0.00 C ATOM 270 OG SER A 20 11.026 -4.358 5.644 1.00 0.00 O ATOM 0 H SER A 20 9.636 -4.498 3.678 1.00 0.00 H new ATOM 0 HA SER A 20 10.625 -1.993 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.034 -4.647 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.658 -3.355 4.869 1.00 0.00 H new ATOM 0 HG SER A 20 11.069 -5.337 5.632 1.00 0.00 H new ATOM 276 N THR A 21 12.369 -1.209 2.875 1.00 0.00 N ATOM 277 CA THR A 21 13.293 -0.610 1.929 1.00 0.00 C ATOM 278 C THR A 21 14.653 -1.287 2.138 1.00 0.00 C ATOM 279 O THR A 21 15.016 -1.626 3.267 1.00 0.00 O ATOM 280 CB THR A 21 13.327 0.909 2.174 1.00 0.00 C ATOM 281 OG1 THR A 21 12.019 1.442 2.057 1.00 0.00 O ATOM 282 CG2 THR A 21 14.216 1.654 1.172 1.00 0.00 C ATOM 0 H THR A 21 12.393 -0.768 3.794 1.00 0.00 H new ATOM 0 HA THR A 21 12.994 -0.756 0.891 1.00 0.00 H new ATOM 0 HB THR A 21 13.735 1.049 3.175 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.044 2.409 2.215 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.200 2.721 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.238 1.283 1.246 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.843 1.489 0.161 1.00 0.00 H new ATOM 290 N ALA A 22 15.422 -1.484 1.073 1.00 0.00 N ATOM 291 CA ALA A 22 16.721 -2.123 1.138 1.00 0.00 C ATOM 292 C ALA A 22 17.662 -1.405 0.185 1.00 0.00 C ATOM 293 O ALA A 22 17.366 -1.297 -1.006 1.00 0.00 O ATOM 294 CB ALA A 22 16.569 -3.610 0.788 1.00 0.00 C ATOM 0 H ALA A 22 15.153 -1.199 0.131 1.00 0.00 H new ATOM 0 HA ALA A 22 17.141 -2.061 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.543 -4.096 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.892 -4.084 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.163 -3.707 -0.219 1.00 0.00 H new ATOM 300 N THR A 23 18.796 -0.934 0.698 1.00 0.00 N ATOM 301 CA THR A 23 19.811 -0.263 -0.104 1.00 0.00 C ATOM 302 C THR A 23 21.143 -0.992 0.084 1.00 0.00 C ATOM 303 O THR A 23 21.729 -0.939 1.165 1.00 0.00 O ATOM 304 CB THR A 23 19.879 1.223 0.290 1.00 0.00 C ATOM 305 OG1 THR A 23 18.589 1.811 0.270 1.00 0.00 O ATOM 306 CG2 THR A 23 20.780 2.028 -0.651 1.00 0.00 C ATOM 0 H THR A 23 19.036 -1.008 1.687 1.00 0.00 H new ATOM 0 HA THR A 23 19.562 -0.296 -1.165 1.00 0.00 H new ATOM 0 HB THR A 23 20.295 1.252 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.656 2.755 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.798 3.071 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.791 1.623 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.393 1.964 -1.668 1.00 0.00 H new ATOM 314 N ASN A 24 21.620 -1.648 -0.979 1.00 0.00 N ATOM 315 CA ASN A 24 22.848 -2.439 -1.071 1.00 0.00 C ATOM 316 C ASN A 24 23.099 -3.327 0.161 1.00 0.00 C ATOM 317 O ASN A 24 24.212 -3.377 0.690 1.00 0.00 O ATOM 318 CB ASN A 24 24.035 -1.536 -1.455 1.00 0.00 C ATOM 319 CG ASN A 24 25.109 -2.318 -2.206 1.00 0.00 C ATOM 320 OD1 ASN A 24 25.277 -2.147 -3.410 1.00 0.00 O ATOM 321 ND2 ASN A 24 25.832 -3.198 -1.539 1.00 0.00 N ATOM 0 H ASN A 24 21.117 -1.638 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 24 22.723 -3.161 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.682 -0.712 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.465 -1.096 -0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 24 26.542 -3.747 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 24 25.681 -3.329 -0.539 1.00 0.00 H new ATOM 328 N CYS A 25 22.057 -3.992 0.660 1.00 0.00 N ATOM 329 CA CYS A 25 22.146 -4.877 1.816 1.00 0.00 C ATOM 330 C CYS A 25 22.516 -6.283 1.351 1.00 0.00 C ATOM 331 O CYS A 25 22.444 -6.586 0.157 1.00 0.00 O ATOM 332 CB CYS A 25 20.803 -4.910 2.558 1.00 0.00 C ATOM 333 SG CYS A 25 20.011 -3.298 2.761 1.00 0.00 S ATOM 0 H CYS A 25 21.118 -3.929 0.267 1.00 0.00 H new ATOM 0 HA CYS A 25 22.913 -4.505 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.122 -5.569 2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.959 -5.350 3.543 1.00 0.00 H new ATOM 338 N TYR A 26 22.818 -7.164 2.298 1.00 0.00 N ATOM 339 CA TYR A 26 23.101 -8.568 2.049 1.00 0.00 C ATOM 340 C TYR A 26 22.309 -9.348 3.091 1.00 0.00 C ATOM 341 O TYR A 26 22.537 -9.174 4.290 1.00 0.00 O ATOM 342 CB TYR A 26 24.611 -8.816 2.161 1.00 0.00 C ATOM 343 CG TYR A 26 25.468 -7.942 1.259 1.00 0.00 C ATOM 344 CD1 TYR A 26 25.603 -8.247 -0.109 1.00 0.00 C ATOM 345 CD2 TYR A 26 26.123 -6.813 1.791 1.00 0.00 C ATOM 346 CE1 TYR A 26 26.390 -7.432 -0.943 1.00 0.00 C ATOM 347 CE2 TYR A 26 26.919 -5.998 0.966 1.00 0.00 C ATOM 348 CZ TYR A 26 27.059 -6.307 -0.407 1.00 0.00 C ATOM 349 OH TYR A 26 27.840 -5.538 -1.219 1.00 0.00 O ATOM 0 H TYR A 26 22.874 -6.912 3.285 1.00 0.00 H new ATOM 0 HA TYR A 26 22.810 -8.883 1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.916 -8.656 3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.812 -9.862 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 26 25.100 -9.110 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 26 26.013 -6.572 2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 26 26.483 -7.666 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.423 -5.137 1.381 1.00 0.00 H new ATOM 0 HH TYR A 26 28.229 -4.804 -0.699 1.00 0.00 H new ATOM 359 N ILE A 27 21.351 -10.159 2.645 1.00 0.00 N ATOM 360 CA ILE A 27 20.369 -10.799 3.505 1.00 0.00 C ATOM 361 C ILE A 27 20.468 -12.304 3.245 1.00 0.00 C ATOM 362 O ILE A 27 20.076 -12.778 2.173 1.00 0.00 O ATOM 363 CB ILE A 27 18.971 -10.180 3.231 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.969 -8.642 3.420 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.897 -10.826 4.114 1.00 0.00 C ATOM 366 CD1 ILE A 27 17.600 -7.963 3.268 1.00 0.00 C ATOM 0 H ILE A 27 21.237 -10.391 1.658 1.00 0.00 H new ATOM 0 HA ILE A 27 20.550 -10.635 4.567 1.00 0.00 H new ATOM 0 HB ILE A 27 18.734 -10.386 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.361 -8.414 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.656 -8.203 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.929 -10.373 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.851 -11.895 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 27 18.147 -10.670 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 27 17.708 -6.889 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 27 17.209 -8.152 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 27 16.910 -8.366 4.009 1.00 0.00 H new ATOM 378 N ASP A 28 21.011 -13.049 4.212 1.00 0.00 N ATOM 379 CA ASP A 28 21.287 -14.479 4.134 1.00 0.00 C ATOM 380 C ASP A 28 20.389 -15.203 5.133 1.00 0.00 C ATOM 381 O ASP A 28 20.509 -14.981 6.338 1.00 0.00 O ATOM 382 CB ASP A 28 22.763 -14.751 4.448 1.00 0.00 C ATOM 383 CG ASP A 28 23.024 -16.260 4.594 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.731 -17.021 3.644 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.557 -16.690 5.641 1.00 0.00 O ATOM 0 H ASP A 28 21.281 -12.649 5.111 1.00 0.00 H new ATOM 0 HA ASP A 28 21.083 -14.842 3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.389 -14.345 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.044 -14.239 5.368 1.00 0.00 H new ATOM 390 N ASN A 29 19.473 -16.041 4.637 1.00 0.00 N ATOM 391 CA ASN A 29 18.431 -16.735 5.407 1.00 0.00 C ATOM 392 C ASN A 29 17.718 -15.833 6.433 1.00 0.00 C ATOM 393 O ASN A 29 17.358 -16.290 7.520 1.00 0.00 O ATOM 394 CB ASN A 29 19.007 -18.010 6.055 1.00 0.00 C ATOM 395 CG ASN A 29 17.898 -19.000 6.406 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.185 -19.461 5.520 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.717 -19.390 7.657 1.00 0.00 N ATOM 0 H ASN A 29 19.434 -16.265 3.643 1.00 0.00 H new ATOM 0 HA ASN A 29 17.653 -17.025 4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.715 -18.480 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.560 -17.745 6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.989 -20.069 7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.305 -19.012 8.399 1.00 0.00 H new ATOM 404 N SER A 30 17.529 -14.549 6.118 1.00 0.00 N ATOM 405 CA SER A 30 17.073 -13.534 7.057 1.00 0.00 C ATOM 406 C SER A 30 15.845 -12.803 6.526 1.00 0.00 C ATOM 407 O SER A 30 15.600 -12.756 5.323 1.00 0.00 O ATOM 408 CB SER A 30 18.204 -12.541 7.333 1.00 0.00 C ATOM 409 OG SER A 30 19.315 -13.173 7.922 1.00 0.00 O ATOM 0 H SER A 30 17.694 -14.183 5.180 1.00 0.00 H new ATOM 0 HA SER A 30 16.791 -14.027 7.987 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.507 -12.065 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.843 -11.751 7.991 1.00 0.00 H new ATOM 0 HG SER A 30 19.792 -13.696 7.244 1.00 0.00 H new ATOM 415 N GLN A 31 15.051 -12.224 7.420 1.00 0.00 N ATOM 416 CA GLN A 31 13.776 -11.618 7.075 1.00 0.00 C ATOM 417 C GLN A 31 13.732 -10.213 7.671 1.00 0.00 C ATOM 418 O GLN A 31 14.115 -10.008 8.824 1.00 0.00 O ATOM 419 CB GLN A 31 12.620 -12.515 7.554 1.00 0.00 C ATOM 420 CG GLN A 31 12.660 -13.943 6.960 1.00 0.00 C ATOM 421 CD GLN A 31 13.652 -14.898 7.645 1.00 0.00 C ATOM 422 OE1 GLN A 31 13.785 -14.917 8.866 1.00 0.00 O ATOM 423 NE2 GLN A 31 14.388 -15.705 6.891 1.00 0.00 N ATOM 0 H GLN A 31 15.279 -12.163 8.412 1.00 0.00 H new ATOM 0 HA GLN A 31 13.664 -11.527 5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.649 -12.582 8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.673 -12.046 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.661 -14.375 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.914 -13.875 5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.281 -15.693 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.060 -16.337 7.326 1.00 0.00 H new ATOM 432 N LEU A 32 13.289 -9.253 6.862 1.00 0.00 N ATOM 433 CA LEU A 32 13.332 -7.819 7.122 1.00 0.00 C ATOM 434 C LEU A 32 11.927 -7.329 6.800 1.00 0.00 C ATOM 435 O LEU A 32 11.626 -7.030 5.646 1.00 0.00 O ATOM 436 CB LEU A 32 14.425 -7.219 6.212 1.00 0.00 C ATOM 437 CG LEU A 32 14.572 -5.690 6.286 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.165 -5.246 7.625 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.466 -5.194 5.147 1.00 0.00 C ATOM 0 H LEU A 32 12.868 -9.469 5.958 1.00 0.00 H new ATOM 0 HA LEU A 32 13.587 -7.534 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.381 -7.673 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.210 -7.498 5.180 1.00 0.00 H new ATOM 0 HG LEU A 32 13.576 -5.258 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.254 -4.160 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.513 -5.569 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.151 -5.693 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.564 -4.110 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.451 -5.653 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.020 -5.465 4.190 1.00 0.00 H new ATOM 451 N VAL A 33 11.046 -7.257 7.793 1.00 0.00 N ATOM 452 CA VAL A 33 9.618 -7.054 7.558 1.00 0.00 C ATOM 453 C VAL A 33 9.075 -5.758 8.163 1.00 0.00 C ATOM 454 O VAL A 33 9.774 -5.047 8.892 1.00 0.00 O ATOM 455 CB VAL A 33 8.853 -8.319 8.029 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.432 -9.605 7.408 1.00 0.00 C ATOM 457 CG2 VAL A 33 8.823 -8.500 9.556 1.00 0.00 C ATOM 0 H VAL A 33 11.298 -7.337 8.778 1.00 0.00 H new ATOM 0 HA VAL A 33 9.457 -6.921 6.488 1.00 0.00 H new ATOM 0 HB VAL A 33 7.832 -8.154 7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.868 -10.467 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.361 -9.548 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.477 -9.711 7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.270 -9.406 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.843 -8.582 9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.335 -7.640 10.015 1.00 0.00 H new ATOM 467 N ASP A 34 7.789 -5.506 7.898 1.00 0.00 N ATOM 468 CA ASP A 34 6.978 -4.446 8.492 1.00 0.00 C ATOM 469 C ASP A 34 7.600 -3.067 8.265 1.00 0.00 C ATOM 470 O ASP A 34 7.780 -2.274 9.190 1.00 0.00 O ATOM 471 CB ASP A 34 6.680 -4.771 9.962 1.00 0.00 C ATOM 472 CG ASP A 34 5.605 -3.874 10.585 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.742 -3.325 9.866 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.579 -3.791 11.837 1.00 0.00 O ATOM 0 H ASP A 34 7.262 -6.066 7.229 1.00 0.00 H new ATOM 0 HA ASP A 34 6.014 -4.401 7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.362 -5.811 10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.599 -4.676 10.540 1.00 0.00 H new ATOM 479 N THR A 35 7.956 -2.805 7.007 1.00 0.00 N ATOM 480 CA THR A 35 8.473 -1.534 6.545 1.00 0.00 C ATOM 481 C THR A 35 9.740 -1.092 7.306 1.00 0.00 C ATOM 482 O THR A 35 9.874 0.062 7.724 1.00 0.00 O ATOM 483 CB THR A 35 7.326 -0.510 6.487 1.00 0.00 C ATOM 484 OG1 THR A 35 6.091 -1.116 6.129 1.00 0.00 O ATOM 485 CG2 THR A 35 7.626 0.537 5.416 1.00 0.00 C ATOM 0 H THR A 35 7.887 -3.500 6.264 1.00 0.00 H new ATOM 0 HA THR A 35 8.843 -1.632 5.525 1.00 0.00 H new ATOM 0 HB THR A 35 7.247 -0.069 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.387 -0.434 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.812 1.261 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.557 1.050 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.724 0.048 4.447 1.00 0.00 H new ATOM 493 N SER A 36 10.676 -2.026 7.506 1.00 0.00 N ATOM 494 CA SER A 36 12.011 -1.721 7.991 1.00 0.00 C ATOM 495 C SER A 36 12.799 -1.014 6.880 1.00 0.00 C ATOM 496 O SER A 36 12.329 -0.871 5.745 1.00 0.00 O ATOM 497 CB SER A 36 12.733 -3.026 8.343 1.00 0.00 C ATOM 498 OG SER A 36 12.098 -3.727 9.388 1.00 0.00 O ATOM 0 H SER A 36 10.520 -3.019 7.332 1.00 0.00 H new ATOM 0 HA SER A 36 11.941 -1.082 8.871 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.780 -3.662 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.761 -2.803 8.631 1.00 0.00 H new ATOM 0 HG SER A 36 11.262 -4.117 9.059 1.00 0.00 H new ATOM 504 N ILE A 37 14.028 -0.603 7.179 1.00 0.00 N ATOM 505 CA ILE A 37 14.969 -0.135 6.176 1.00 0.00 C ATOM 506 C ILE A 37 16.358 -0.650 6.520 1.00 0.00 C ATOM 507 O ILE A 37 16.771 -0.567 7.681 1.00 0.00 O ATOM 508 CB ILE A 37 14.918 1.393 5.973 1.00 0.00 C ATOM 509 CG1 ILE A 37 15.887 1.824 4.847 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.156 2.200 7.252 1.00 0.00 C ATOM 511 CD1 ILE A 37 15.641 3.244 4.324 1.00 0.00 C ATOM 0 H ILE A 37 14.397 -0.587 8.130 1.00 0.00 H new ATOM 0 HA ILE A 37 14.682 -0.542 5.207 1.00 0.00 H new ATOM 0 HB ILE A 37 13.896 1.625 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 37 16.910 1.756 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.800 1.122 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.104 3.265 7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.393 1.948 7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.141 1.962 7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 37 16.360 3.472 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 37 14.630 3.314 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 37 15.758 3.957 5.140 1.00 0.00 H new ATOM 523 N CYS A 38 17.086 -1.133 5.511 1.00 0.00 N ATOM 524 CA CYS A 38 18.474 -1.503 5.662 1.00 0.00 C ATOM 525 C CYS A 38 19.301 -0.661 4.705 1.00 0.00 C ATOM 526 O CYS A 38 18.858 -0.381 3.584 1.00 0.00 O ATOM 527 CB CYS A 38 18.660 -3.010 5.448 1.00 0.00 C ATOM 528 SG CYS A 38 18.320 -3.694 3.813 1.00 0.00 S ATOM 0 H CYS A 38 16.719 -1.275 4.570 1.00 0.00 H new ATOM 0 HA CYS A 38 18.817 -1.303 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.691 -3.257 5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 38 18.022 -3.528 6.164 1.00 0.00 H new ATOM 533 N THR A 39 20.504 -0.284 5.140 1.00 0.00 N ATOM 534 CA THR A 39 21.383 0.555 4.332 1.00 0.00 C ATOM 535 C THR A 39 22.821 0.053 4.479 1.00 0.00 C ATOM 536 O THR A 39 23.466 0.293 5.500 1.00 0.00 O ATOM 537 CB THR A 39 21.231 2.046 4.715 1.00 0.00 C ATOM 538 OG1 THR A 39 19.908 2.385 5.088 1.00 0.00 O ATOM 539 CG2 THR A 39 21.661 2.968 3.571 1.00 0.00 C ATOM 0 H THR A 39 20.890 -0.547 6.047 1.00 0.00 H new ATOM 0 HA THR A 39 21.103 0.484 3.281 1.00 0.00 H new ATOM 0 HB THR A 39 21.884 2.190 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 39 19.792 2.241 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.540 4.007 3.876 1.00 0.00 H new ATOM 0 HG22 THR A 39 22.706 2.781 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 39 21.043 2.773 2.695 1.00 0.00 H new ATOM 547 N ARG A 40 23.323 -0.639 3.451 1.00 0.00 N ATOM 548 CA ARG A 40 24.656 -1.241 3.396 1.00 0.00 C ATOM 549 C ARG A 40 24.926 -2.119 4.625 1.00 0.00 C ATOM 550 O ARG A 40 25.965 -1.991 5.274 1.00 0.00 O ATOM 551 CB ARG A 40 25.710 -0.152 3.106 1.00 0.00 C ATOM 552 CG ARG A 40 27.009 -0.731 2.522 1.00 0.00 C ATOM 553 CD ARG A 40 28.009 0.389 2.215 1.00 0.00 C ATOM 554 NE ARG A 40 29.259 -0.142 1.641 1.00 0.00 N ATOM 555 CZ ARG A 40 30.301 0.591 1.230 1.00 0.00 C ATOM 556 NH1 ARG A 40 30.276 1.919 1.319 1.00 0.00 N ATOM 557 NH2 ARG A 40 31.373 -0.013 0.726 1.00 0.00 N ATOM 0 H ARG A 40 22.787 -0.801 2.598 1.00 0.00 H new ATOM 0 HA ARG A 40 24.722 -1.940 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.294 0.575 2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 40 25.937 0.384 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 40 27.449 -1.435 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 40 26.788 -1.288 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.560 1.097 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.232 0.939 3.129 1.00 0.00 H new ATOM 0 HE ARG A 40 29.336 -1.155 1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.457 2.389 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 40 31.076 2.467 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.399 -1.030 0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 40 32.170 0.541 0.411 1.00 0.00 H new ATOM 571 N SER A 41 23.985 -3.011 4.940 1.00 0.00 N ATOM 572 CA SER A 41 24.007 -3.824 6.148 1.00 0.00 C ATOM 573 C SER A 41 23.913 -5.312 5.809 1.00 0.00 C ATOM 574 O SER A 41 23.372 -5.694 4.766 1.00 0.00 O ATOM 575 CB SER A 41 22.863 -3.377 7.060 1.00 0.00 C ATOM 576 OG SER A 41 23.055 -2.028 7.443 1.00 0.00 O ATOM 0 H SER A 41 23.173 -3.189 4.349 1.00 0.00 H new ATOM 0 HA SER A 41 24.953 -3.683 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.910 -3.486 6.543 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.821 -4.013 7.944 1.00 0.00 H new ATOM 0 HG SER A 41 22.211 -1.659 7.777 1.00 0.00 H new ATOM 582 N GLN A 42 24.438 -6.143 6.708 1.00 0.00 N ATOM 583 CA GLN A 42 24.494 -7.596 6.603 1.00 0.00 C ATOM 584 C GLN A 42 23.486 -8.188 7.587 1.00 0.00 C ATOM 585 O GLN A 42 23.377 -7.723 8.724 1.00 0.00 O ATOM 586 CB GLN A 42 25.925 -8.065 6.933 1.00 0.00 C ATOM 587 CG GLN A 42 26.133 -9.592 6.985 1.00 0.00 C ATOM 588 CD GLN A 42 25.945 -10.284 5.633 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.588 -9.931 4.648 1.00 0.00 O ATOM 590 NE2 GLN A 42 25.084 -11.284 5.547 1.00 0.00 N ATOM 0 H GLN A 42 24.857 -5.801 7.573 1.00 0.00 H new ATOM 0 HA GLN A 42 24.245 -7.927 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.604 -7.649 6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.212 -7.645 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 42 27.137 -9.801 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.434 -10.021 7.703 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.553 -11.572 6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.951 -11.767 4.659 1.00 0.00 H new ATOM 599 N TYR A 43 22.809 -9.253 7.171 1.00 0.00 N ATOM 600 CA TYR A 43 21.842 -9.989 7.967 1.00 0.00 C ATOM 601 C TYR A 43 22.101 -11.456 7.686 1.00 0.00 C ATOM 602 O TYR A 43 22.199 -11.837 6.515 1.00 0.00 O ATOM 603 CB TYR A 43 20.408 -9.617 7.568 1.00 0.00 C ATOM 604 CG TYR A 43 20.110 -8.137 7.651 1.00 0.00 C ATOM 605 CD1 TYR A 43 20.540 -7.275 6.623 1.00 0.00 C ATOM 606 CD2 TYR A 43 19.451 -7.618 8.779 1.00 0.00 C ATOM 607 CE1 TYR A 43 20.359 -5.890 6.740 1.00 0.00 C ATOM 608 CE2 TYR A 43 19.244 -6.234 8.887 1.00 0.00 C ATOM 609 CZ TYR A 43 19.723 -5.371 7.886 1.00 0.00 C ATOM 610 OH TYR A 43 19.571 -4.033 8.044 1.00 0.00 O ATOM 0 H TYR A 43 22.926 -9.639 6.234 1.00 0.00 H new ATOM 0 HA TYR A 43 21.947 -9.756 9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.226 -9.957 6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.712 -10.154 8.212 1.00 0.00 H new ATOM 0 HD1 TYR A 43 21.011 -7.683 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.106 -8.281 9.559 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.703 -5.227 5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 43 18.717 -5.832 9.739 1.00 0.00 H new ATOM 0 HH TYR A 43 18.638 -3.834 8.269 1.00 0.00 H new ATOM 620 N SER A 44 22.236 -12.259 8.735 1.00 0.00 N ATOM 621 CA SER A 44 22.627 -13.649 8.620 1.00 0.00 C ATOM 622 C SER A 44 21.820 -14.450 9.642 1.00 0.00 C ATOM 623 O SER A 44 21.980 -14.262 10.849 1.00 0.00 O ATOM 624 CB SER A 44 24.137 -13.771 8.861 1.00 0.00 C ATOM 625 OG SER A 44 24.876 -12.893 8.019 1.00 0.00 O ATOM 0 H SER A 44 22.075 -11.956 9.695 1.00 0.00 H new ATOM 0 HA SER A 44 22.422 -14.041 7.624 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.358 -13.547 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.453 -14.799 8.682 1.00 0.00 H new ATOM 0 HG SER A 44 25.834 -12.996 8.200 1.00 0.00 H new ATOM 631 N ASP A 45 20.952 -15.335 9.152 1.00 0.00 N ATOM 632 CA ASP A 45 19.995 -16.136 9.918 1.00 0.00 C ATOM 633 C ASP A 45 19.211 -15.332 10.976 1.00 0.00 C ATOM 634 O ASP A 45 18.971 -15.808 12.088 1.00 0.00 O ATOM 635 CB ASP A 45 20.697 -17.382 10.482 1.00 0.00 C ATOM 636 CG ASP A 45 19.683 -18.433 10.960 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.762 -18.766 10.181 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.846 -18.989 12.070 1.00 0.00 O ATOM 0 H ASP A 45 20.894 -15.524 8.151 1.00 0.00 H new ATOM 0 HA ASP A 45 19.216 -16.469 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.339 -17.817 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.342 -17.093 11.312 1.00 0.00 H new ATOM 643 N ALA A 46 18.834 -14.090 10.653 1.00 0.00 N ATOM 644 CA ALA A 46 18.275 -13.108 11.580 1.00 0.00 C ATOM 645 C ALA A 46 16.855 -12.689 11.175 1.00 0.00 C ATOM 646 O ALA A 46 16.443 -12.863 10.027 1.00 0.00 O ATOM 647 CB ALA A 46 19.204 -11.890 11.605 1.00 0.00 C ATOM 0 H ALA A 46 18.914 -13.731 9.702 1.00 0.00 H new ATOM 0 HA ALA A 46 18.203 -13.554 12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.806 -11.143 12.291 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.196 -12.196 11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.272 -11.464 10.604 1.00 0.00 H new ATOM 653 N ASN A 47 16.116 -12.071 12.099 1.00 0.00 N ATOM 654 CA ASN A 47 14.789 -11.516 11.844 1.00 0.00 C ATOM 655 C ASN A 47 14.754 -10.077 12.325 1.00 0.00 C ATOM 656 O ASN A 47 15.311 -9.754 13.372 1.00 0.00 O ATOM 657 CB ASN A 47 13.694 -12.316 12.552 1.00 0.00 C ATOM 658 CG ASN A 47 12.324 -11.667 12.355 1.00 0.00 C ATOM 659 OD1 ASN A 47 11.882 -11.463 11.230 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.639 -11.304 13.428 1.00 0.00 N ATOM 0 H ASN A 47 16.430 -11.941 13.061 1.00 0.00 H new ATOM 0 HA ASN A 47 14.599 -11.567 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.676 -13.335 12.165 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.919 -12.383 13.617 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.732 -10.849 13.324 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.018 -11.480 14.359 1.00 0.00 H new ATOM 667 N VAL A 48 14.095 -9.219 11.566 1.00 0.00 N ATOM 668 CA VAL A 48 14.080 -7.783 11.778 1.00 0.00 C ATOM 669 C VAL A 48 12.680 -7.280 11.438 1.00 0.00 C ATOM 670 O VAL A 48 12.115 -7.683 10.420 1.00 0.00 O ATOM 671 CB VAL A 48 15.174 -7.126 10.909 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.248 -5.614 11.164 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.565 -7.737 11.148 1.00 0.00 C ATOM 0 H VAL A 48 13.540 -9.511 10.762 1.00 0.00 H new ATOM 0 HA VAL A 48 14.301 -7.523 12.813 1.00 0.00 H new ATOM 0 HB VAL A 48 14.888 -7.316 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.027 -5.177 10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.289 -5.157 10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.481 -5.433 12.213 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.296 -7.238 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.845 -7.607 12.193 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.541 -8.800 10.909 1.00 0.00 H new ATOM 683 N LYS A 49 12.126 -6.398 12.274 1.00 0.00 N ATOM 684 CA LYS A 49 10.765 -5.886 12.137 1.00 0.00 C ATOM 685 C LYS A 49 10.783 -4.389 12.415 1.00 0.00 C ATOM 686 O LYS A 49 11.303 -3.967 13.450 1.00 0.00 O ATOM 687 CB LYS A 49 9.851 -6.663 13.106 1.00 0.00 C ATOM 688 CG LYS A 49 8.413 -6.119 13.190 1.00 0.00 C ATOM 689 CD LYS A 49 7.506 -7.061 13.998 1.00 0.00 C ATOM 690 CE LYS A 49 6.221 -6.395 14.520 1.00 0.00 C ATOM 691 NZ LYS A 49 5.267 -6.011 13.451 1.00 0.00 N ATOM 0 H LYS A 49 12.622 -6.014 13.079 1.00 0.00 H new ATOM 0 HA LYS A 49 10.374 -6.029 11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.815 -7.707 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.294 -6.642 14.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.422 -5.133 13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.009 -5.995 12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.234 -7.912 13.373 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.069 -7.454 14.844 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.724 -7.077 15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.490 -5.506 15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.357 -5.744 13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.650 -5.204 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.125 -6.815 12.807 1.00 0.00 H new ATOM 705 N LYS A 50 10.189 -3.608 11.508 1.00 0.00 N ATOM 706 CA LYS A 50 10.066 -2.148 11.540 1.00 0.00 C ATOM 707 C LYS A 50 11.310 -1.447 12.108 1.00 0.00 C ATOM 708 O LYS A 50 11.193 -0.598 12.988 1.00 0.00 O ATOM 709 CB LYS A 50 8.747 -1.808 12.261 1.00 0.00 C ATOM 710 CG LYS A 50 8.287 -0.339 12.177 1.00 0.00 C ATOM 711 CD LYS A 50 6.858 -0.203 12.719 1.00 0.00 C ATOM 712 CE LYS A 50 5.852 -0.571 11.622 1.00 0.00 C ATOM 713 NZ LYS A 50 4.618 -1.193 12.151 1.00 0.00 N ATOM 0 H LYS A 50 9.752 -4.006 10.676 1.00 0.00 H new ATOM 0 HA LYS A 50 10.019 -1.751 10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.959 -2.438 11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.852 -2.075 13.313 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.964 0.295 12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.327 0.004 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.723 -0.854 13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.683 0.818 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.588 0.327 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.325 -1.257 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.822 -0.979 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.747 -2.223 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.417 -0.814 13.098 1.00 0.00 H new ATOM 727 N SER A 51 12.506 -1.803 11.643 1.00 0.00 N ATOM 728 CA SER A 51 13.757 -1.298 12.204 1.00 0.00 C ATOM 729 C SER A 51 14.525 -0.538 11.125 1.00 0.00 C ATOM 730 O SER A 51 14.165 -0.596 9.952 1.00 0.00 O ATOM 731 CB SER A 51 14.537 -2.464 12.808 1.00 0.00 C ATOM 732 OG SER A 51 13.829 -3.002 13.916 1.00 0.00 O ATOM 0 H SER A 51 12.635 -2.451 10.866 1.00 0.00 H new ATOM 0 HA SER A 51 13.574 -0.588 13.011 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.692 -3.237 12.055 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.523 -2.126 13.126 1.00 0.00 H new ATOM 0 HG SER A 51 13.002 -3.424 13.602 1.00 0.00 H new ATOM 738 N VAL A 52 15.568 0.193 11.506 1.00 0.00 N ATOM 739 CA VAL A 52 16.264 1.139 10.642 1.00 0.00 C ATOM 740 C VAL A 52 17.751 0.835 10.756 1.00 0.00 C ATOM 741 O VAL A 52 18.245 0.756 11.885 1.00 0.00 O ATOM 742 CB VAL A 52 15.930 2.573 11.130 1.00 0.00 C ATOM 743 CG1 VAL A 52 16.662 3.667 10.337 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.420 2.874 11.098 1.00 0.00 C ATOM 0 H VAL A 52 15.961 0.143 12.446 1.00 0.00 H new ATOM 0 HA VAL A 52 15.962 1.058 9.598 1.00 0.00 H new ATOM 0 HB VAL A 52 16.280 2.594 12.162 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.385 4.646 10.728 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.739 3.528 10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.382 3.603 9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.244 3.891 11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.051 2.774 10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.895 2.171 11.744 1.00 0.00 H new ATOM 754 N THR A 53 18.484 0.694 9.645 1.00 0.00 N ATOM 755 CA THR A 53 19.928 0.484 9.759 1.00 0.00 C ATOM 756 C THR A 53 20.734 1.338 8.800 1.00 0.00 C ATOM 757 O THR A 53 20.245 1.788 7.757 1.00 0.00 O ATOM 758 CB THR A 53 20.332 -0.999 9.647 1.00 0.00 C ATOM 759 OG1 THR A 53 20.497 -1.410 8.301 1.00 0.00 O ATOM 760 CG2 THR A 53 19.371 -1.964 10.334 1.00 0.00 C ATOM 0 H THR A 53 18.118 0.720 8.693 1.00 0.00 H new ATOM 0 HA THR A 53 20.176 0.813 10.768 1.00 0.00 H new ATOM 0 HB THR A 53 21.286 -1.048 10.172 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.191 -2.336 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.729 -2.986 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 53 19.316 -1.728 11.397 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.380 -1.869 9.890 1.00 0.00 H new ATOM 768 N THR A 54 21.992 1.562 9.170 1.00 0.00 N ATOM 769 CA THR A 54 23.014 2.140 8.334 1.00 0.00 C ATOM 770 C THR A 54 24.325 1.500 8.798 1.00 0.00 C ATOM 771 O THR A 54 24.751 1.731 9.932 1.00 0.00 O ATOM 772 CB THR A 54 22.996 3.677 8.448 1.00 0.00 C ATOM 773 OG1 THR A 54 21.738 4.188 8.043 1.00 0.00 O ATOM 774 CG2 THR A 54 24.067 4.336 7.572 1.00 0.00 C ATOM 0 H THR A 54 22.331 1.332 10.104 1.00 0.00 H new ATOM 0 HA THR A 54 22.864 1.942 7.273 1.00 0.00 H new ATOM 0 HB THR A 54 23.195 3.909 9.494 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.158 3.448 7.767 1.00 0.00 H new ATOM 0 HG21 THR A 54 24.015 5.419 7.686 1.00 0.00 H new ATOM 0 HG22 THR A 54 25.053 3.986 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.896 4.073 6.528 1.00 0.00 H new ATOM 782 N ASP A 55 24.940 0.685 7.937 1.00 0.00 N ATOM 783 CA ASP A 55 26.135 -0.113 8.212 1.00 0.00 C ATOM 784 C ASP A 55 25.988 -0.945 9.488 1.00 0.00 C ATOM 785 O ASP A 55 26.542 -0.613 10.538 1.00 0.00 O ATOM 786 CB ASP A 55 27.410 0.742 8.185 1.00 0.00 C ATOM 787 CG ASP A 55 28.668 -0.090 8.500 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.773 -1.253 8.048 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.595 0.443 9.152 1.00 0.00 O ATOM 0 H ASP A 55 24.601 0.558 6.983 1.00 0.00 H new ATOM 0 HA ASP A 55 26.241 -0.834 7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.517 1.203 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.320 1.551 8.909 1.00 0.00 H new ATOM 794 N CYS A 56 25.207 -2.023 9.407 1.00 0.00 N ATOM 795 CA CYS A 56 24.917 -2.907 10.525 1.00 0.00 C ATOM 796 C CYS A 56 25.305 -4.339 10.151 1.00 0.00 C ATOM 797 O CYS A 56 25.358 -4.667 8.963 1.00 0.00 O ATOM 798 CB CYS A 56 23.432 -2.786 10.883 1.00 0.00 C ATOM 799 SG CYS A 56 22.960 -3.437 12.506 1.00 0.00 S ATOM 0 H CYS A 56 24.751 -2.308 8.540 1.00 0.00 H new ATOM 0 HA CYS A 56 25.498 -2.626 11.403 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.151 -1.734 10.838 1.00 0.00 H new ATOM 0 HB3 CYS A 56 22.850 -3.304 10.121 1.00 0.00 H new ATOM 804 N ASN A 57 25.531 -5.214 11.134 1.00 0.00 N ATOM 805 CA ASN A 57 25.742 -6.640 10.904 1.00 0.00 C ATOM 806 C ASN A 57 24.912 -7.364 11.943 1.00 0.00 C ATOM 807 O ASN A 57 25.126 -7.141 13.131 1.00 0.00 O ATOM 808 CB ASN A 57 27.223 -7.031 11.035 1.00 0.00 C ATOM 809 CG ASN A 57 27.395 -8.549 10.946 1.00 0.00 C ATOM 810 OD1 ASN A 57 26.663 -9.227 10.233 1.00 0.00 O ATOM 811 ND2 ASN A 57 28.346 -9.127 11.658 1.00 0.00 N ATOM 0 H ASN A 57 25.572 -4.948 12.118 1.00 0.00 H new ATOM 0 HA ASN A 57 25.446 -6.907 9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 57 27.802 -6.548 10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.616 -6.671 11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 57 28.472 -10.138 11.615 1.00 0.00 H new ATOM 0 HD22 ASN A 57 28.954 -8.562 12.251 1.00 0.00 H new ATOM 818 N ILE A 58 23.959 -8.184 11.520 1.00 0.00 N ATOM 819 CA ILE A 58 22.963 -8.766 12.403 1.00 0.00 C ATOM 820 C ILE A 58 23.041 -10.272 12.205 1.00 0.00 C ATOM 821 O ILE A 58 22.582 -10.791 11.186 1.00 0.00 O ATOM 822 CB ILE A 58 21.569 -8.154 12.117 1.00 0.00 C ATOM 823 CG1 ILE A 58 21.638 -6.609 12.185 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.540 -8.729 13.104 1.00 0.00 C ATOM 825 CD1 ILE A 58 20.293 -5.881 12.263 1.00 0.00 C ATOM 0 H ILE A 58 23.857 -8.465 10.545 1.00 0.00 H new ATOM 0 HA ILE A 58 23.149 -8.544 13.454 1.00 0.00 H new ATOM 0 HB ILE A 58 21.250 -8.419 11.109 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.231 -6.329 13.056 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.173 -6.250 11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.560 -8.297 12.901 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.490 -9.812 12.988 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.839 -8.487 14.124 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.463 -4.805 12.306 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.699 -6.119 11.381 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.758 -6.200 13.158 1.00 0.00 H new ATOM 837 N ASP A 59 23.645 -10.973 13.164 1.00 0.00 N ATOM 838 CA ASP A 59 23.864 -12.408 13.084 1.00 0.00 C ATOM 839 C ASP A 59 22.957 -13.081 14.103 1.00 0.00 C ATOM 840 O ASP A 59 22.967 -12.697 15.271 1.00 0.00 O ATOM 841 CB ASP A 59 25.340 -12.700 13.368 1.00 0.00 C ATOM 842 CG ASP A 59 25.575 -14.198 13.556 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.557 -14.952 12.558 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.796 -14.628 14.708 1.00 0.00 O ATOM 0 H ASP A 59 23.997 -10.553 14.024 1.00 0.00 H new ATOM 0 HA ASP A 59 23.628 -12.794 12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.952 -12.333 12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.655 -12.164 14.263 1.00 0.00 H new ATOM 849 N LYS A 60 22.154 -14.058 13.674 1.00 0.00 N ATOM 850 CA LYS A 60 21.298 -14.910 14.514 1.00 0.00 C ATOM 851 C LYS A 60 20.375 -14.140 15.474 1.00 0.00 C ATOM 852 O LYS A 60 19.899 -14.715 16.456 1.00 0.00 O ATOM 853 CB LYS A 60 22.166 -15.954 15.247 1.00 0.00 C ATOM 854 CG LYS A 60 22.982 -16.837 14.289 1.00 0.00 C ATOM 855 CD LYS A 60 23.932 -17.766 15.057 1.00 0.00 C ATOM 856 CE LYS A 60 24.964 -18.410 14.119 1.00 0.00 C ATOM 857 NZ LYS A 60 26.026 -17.458 13.708 1.00 0.00 N ATOM 0 H LYS A 60 22.077 -14.290 12.684 1.00 0.00 H new ATOM 0 HA LYS A 60 20.607 -15.421 13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 60 22.846 -15.440 15.927 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.523 -16.588 15.858 1.00 0.00 H new ATOM 0 HG2 LYS A 60 22.306 -17.432 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.557 -16.206 13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.447 -17.201 15.834 1.00 0.00 H new ATOM 0 HD3 LYS A 60 23.357 -18.545 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 60 25.420 -19.266 14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 60 24.457 -18.790 13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 26.707 -17.943 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 25.598 -16.662 13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 26.518 -17.101 14.552 1.00 0.00 H new ATOM 871 N SER A 61 20.112 -12.862 15.212 1.00 0.00 N ATOM 872 CA SER A 61 19.437 -11.969 16.147 1.00 0.00 C ATOM 873 C SER A 61 18.002 -11.689 15.701 1.00 0.00 C ATOM 874 O SER A 61 17.619 -11.978 14.566 1.00 0.00 O ATOM 875 CB SER A 61 20.247 -10.676 16.285 1.00 0.00 C ATOM 876 OG SER A 61 21.546 -10.945 16.786 1.00 0.00 O ATOM 0 H SER A 61 20.366 -12.413 14.332 1.00 0.00 H new ATOM 0 HA SER A 61 19.376 -12.450 17.123 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.321 -10.183 15.316 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.730 -9.988 16.954 1.00 0.00 H new ATOM 0 HG SER A 61 22.022 -11.532 16.162 1.00 0.00 H new ATOM 882 N GLN A 62 17.209 -11.128 16.608 1.00 0.00 N ATOM 883 CA GLN A 62 15.806 -10.803 16.436 1.00 0.00 C ATOM 884 C GLN A 62 15.689 -9.336 16.852 1.00 0.00 C ATOM 885 O GLN A 62 16.039 -8.970 17.976 1.00 0.00 O ATOM 886 CB GLN A 62 14.925 -11.756 17.260 1.00 0.00 C ATOM 887 CG GLN A 62 14.984 -13.222 16.780 1.00 0.00 C ATOM 888 CD GLN A 62 16.269 -13.965 17.184 1.00 0.00 C ATOM 889 OE1 GLN A 62 16.677 -13.974 18.340 1.00 0.00 O ATOM 890 NE2 GLN A 62 16.955 -14.595 16.242 1.00 0.00 N ATOM 0 H GLN A 62 17.553 -10.875 17.535 1.00 0.00 H new ATOM 0 HA GLN A 62 15.455 -10.930 15.412 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.234 -11.712 18.304 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.892 -11.410 17.218 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.125 -13.759 17.182 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.892 -13.241 15.694 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.620 -14.591 15.278 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.818 -15.084 16.480 1.00 0.00 H new ATOM 899 N VAL A 63 15.232 -8.490 15.937 1.00 0.00 N ATOM 900 CA VAL A 63 15.286 -7.042 16.073 1.00 0.00 C ATOM 901 C VAL A 63 13.888 -6.473 15.839 1.00 0.00 C ATOM 902 O VAL A 63 13.213 -6.871 14.886 1.00 0.00 O ATOM 903 CB VAL A 63 16.308 -6.527 15.036 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.502 -5.011 15.093 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.683 -7.209 15.159 1.00 0.00 C ATOM 0 H VAL A 63 14.805 -8.798 15.063 1.00 0.00 H new ATOM 0 HA VAL A 63 15.601 -6.729 17.068 1.00 0.00 H new ATOM 0 HB VAL A 63 15.871 -6.789 14.073 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.231 -4.709 14.341 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.552 -4.515 14.896 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.862 -4.727 16.082 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.358 -6.806 14.404 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.094 -7.022 16.151 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.571 -8.283 15.009 1.00 0.00 H new ATOM 915 N TYR A 64 13.464 -5.535 16.685 1.00 0.00 N ATOM 916 CA TYR A 64 12.119 -4.979 16.669 1.00 0.00 C ATOM 917 C TYR A 64 12.224 -3.481 16.935 1.00 0.00 C ATOM 918 O TYR A 64 12.815 -3.094 17.942 1.00 0.00 O ATOM 919 CB TYR A 64 11.273 -5.652 17.768 1.00 0.00 C ATOM 920 CG TYR A 64 11.240 -7.171 17.735 1.00 0.00 C ATOM 921 CD1 TYR A 64 12.236 -7.919 18.393 1.00 0.00 C ATOM 922 CD2 TYR A 64 10.207 -7.839 17.052 1.00 0.00 C ATOM 923 CE1 TYR A 64 12.212 -9.325 18.357 1.00 0.00 C ATOM 924 CE2 TYR A 64 10.174 -9.245 17.009 1.00 0.00 C ATOM 925 CZ TYR A 64 11.180 -9.995 17.660 1.00 0.00 C ATOM 926 OH TYR A 64 11.165 -11.357 17.630 1.00 0.00 O ATOM 0 H TYR A 64 14.058 -5.136 17.412 1.00 0.00 H new ATOM 0 HA TYR A 64 11.642 -5.155 15.705 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.654 -5.336 18.739 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.250 -5.283 17.691 1.00 0.00 H new ATOM 0 HD1 TYR A 64 13.023 -7.410 18.929 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.434 -7.269 16.558 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.981 -9.892 18.861 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.381 -9.751 16.479 1.00 0.00 H new ATOM 0 HH TYR A 64 10.392 -11.664 17.112 1.00 0.00 H new ATOM 936 N LEU A 65 11.635 -2.641 16.077 1.00 0.00 N ATOM 937 CA LEU A 65 11.517 -1.186 16.249 1.00 0.00 C ATOM 938 C LEU A 65 12.841 -0.491 16.643 1.00 0.00 C ATOM 939 O LEU A 65 12.832 0.548 17.305 1.00 0.00 O ATOM 940 CB LEU A 65 10.322 -0.847 17.172 1.00 0.00 C ATOM 941 CG LEU A 65 8.944 -0.919 16.476 1.00 0.00 C ATOM 942 CD1 LEU A 65 8.471 -2.346 16.155 1.00 0.00 C ATOM 943 CD2 LEU A 65 7.887 -0.255 17.365 1.00 0.00 C ATOM 0 H LEU A 65 11.210 -2.967 15.209 1.00 0.00 H new ATOM 0 HA LEU A 65 11.298 -0.758 15.271 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.325 -1.533 18.019 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.461 0.156 17.574 1.00 0.00 H new ATOM 0 HG LEU A 65 9.066 -0.400 15.525 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.497 -2.305 15.668 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.189 -2.826 15.490 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.392 -2.919 17.079 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.915 -0.306 16.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.838 -0.775 18.322 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.155 0.788 17.532 1.00 0.00 H new ATOM 955 N THR A 66 13.984 -1.047 16.242 1.00 0.00 N ATOM 956 CA THR A 66 15.306 -0.638 16.707 1.00 0.00 C ATOM 957 C THR A 66 16.056 0.108 15.591 1.00 0.00 C ATOM 958 O THR A 66 15.719 -0.008 14.409 1.00 0.00 O ATOM 959 CB THR A 66 15.996 -1.912 17.235 1.00 0.00 C ATOM 960 OG1 THR A 66 15.374 -2.279 18.455 1.00 0.00 O ATOM 961 CG2 THR A 66 17.500 -1.836 17.499 1.00 0.00 C ATOM 0 H THR A 66 14.015 -1.813 15.569 1.00 0.00 H new ATOM 0 HA THR A 66 15.272 0.084 17.523 1.00 0.00 H new ATOM 0 HB THR A 66 15.882 -2.634 16.427 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.472 -2.616 18.274 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.854 -2.799 17.866 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.020 -1.587 16.574 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.700 -1.067 18.246 1.00 0.00 H new ATOM 969 N THR A 67 17.081 0.879 15.958 1.00 0.00 N ATOM 970 CA THR A 67 17.903 1.657 15.041 1.00 0.00 C ATOM 971 C THR A 67 19.365 1.244 15.241 1.00 0.00 C ATOM 972 O THR A 67 19.853 1.248 16.373 1.00 0.00 O ATOM 973 CB THR A 67 17.668 3.157 15.290 1.00 0.00 C ATOM 974 OG1 THR A 67 16.288 3.467 15.188 1.00 0.00 O ATOM 975 CG2 THR A 67 18.422 4.036 14.286 1.00 0.00 C ATOM 0 H THR A 67 17.367 0.980 16.932 1.00 0.00 H new ATOM 0 HA THR A 67 17.636 1.464 14.002 1.00 0.00 H new ATOM 0 HB THR A 67 18.039 3.363 16.294 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.155 4.424 15.351 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.225 5.086 14.502 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.492 3.844 14.366 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.086 3.804 13.275 1.00 0.00 H new ATOM 983 N CYS A 68 20.062 0.904 14.152 1.00 0.00 N ATOM 984 CA CYS A 68 21.430 0.401 14.169 1.00 0.00 C ATOM 985 C CYS A 68 22.302 1.285 13.285 1.00 0.00 C ATOM 986 O CYS A 68 22.054 1.379 12.081 1.00 0.00 O ATOM 987 CB CYS A 68 21.456 -1.040 13.641 1.00 0.00 C ATOM 988 SG CYS A 68 23.089 -1.826 13.735 1.00 0.00 S ATOM 0 H CYS A 68 19.675 0.975 13.211 1.00 0.00 H new ATOM 0 HA CYS A 68 21.811 0.416 15.190 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.742 -1.638 14.208 1.00 0.00 H new ATOM 0 HB3 CYS A 68 21.121 -1.043 12.604 1.00 0.00 H new ATOM 993 N THR A 69 23.350 1.879 13.853 1.00 0.00 N ATOM 994 CA THR A 69 24.226 2.802 13.148 1.00 0.00 C ATOM 995 C THR A 69 25.665 2.374 13.428 1.00 0.00 C ATOM 996 O THR A 69 26.122 2.448 14.571 1.00 0.00 O ATOM 997 CB THR A 69 23.922 4.240 13.614 1.00 0.00 C ATOM 998 OG1 THR A 69 22.531 4.512 13.509 1.00 0.00 O ATOM 999 CG2 THR A 69 24.678 5.275 12.774 1.00 0.00 C ATOM 0 H THR A 69 23.614 1.729 14.827 1.00 0.00 H new ATOM 0 HA THR A 69 24.067 2.782 12.070 1.00 0.00 H new ATOM 0 HB THR A 69 24.246 4.314 14.652 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.353 5.428 13.810 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.440 6.277 13.131 1.00 0.00 H new ATOM 0 HG22 THR A 69 25.751 5.103 12.864 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.382 5.182 11.729 1.00 0.00 H new ATOM 1007 N GLY A 70 26.376 1.885 12.408 1.00 0.00 N ATOM 1008 CA GLY A 70 27.764 1.448 12.536 1.00 0.00 C ATOM 1009 C GLY A 70 27.947 0.396 13.634 1.00 0.00 C ATOM 1010 O GLY A 70 28.968 0.420 14.323 1.00 0.00 O ATOM 0 H GLY A 70 26.000 1.782 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.102 1.038 11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.395 2.310 12.754 1.00 0.00 H new ATOM 1014 N SER A 71 26.960 -0.482 13.842 1.00 0.00 N ATOM 1015 CA SER A 71 26.902 -1.388 14.986 1.00 0.00 C ATOM 1016 C SER A 71 26.669 -2.837 14.549 1.00 0.00 C ATOM 1017 O SER A 71 26.490 -3.120 13.365 1.00 0.00 O ATOM 1018 CB SER A 71 25.835 -0.892 15.972 1.00 0.00 C ATOM 1019 OG SER A 71 26.175 0.391 16.455 1.00 0.00 O ATOM 0 H SER A 71 26.168 -0.582 13.208 1.00 0.00 H new ATOM 0 HA SER A 71 27.866 -1.385 15.495 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.863 -0.857 15.480 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.746 -1.590 16.804 1.00 0.00 H new ATOM 0 HG SER A 71 26.129 1.039 15.722 1.00 0.00 H new ATOM 1025 N GLN A 72 26.707 -3.779 15.492 1.00 0.00 N ATOM 1026 CA GLN A 72 26.720 -5.202 15.193 1.00 0.00 C ATOM 1027 C GLN A 72 26.006 -5.973 16.300 1.00 0.00 C ATOM 1028 O GLN A 72 26.221 -5.690 17.480 1.00 0.00 O ATOM 1029 CB GLN A 72 28.193 -5.610 15.048 1.00 0.00 C ATOM 1030 CG GLN A 72 28.471 -7.116 15.045 1.00 0.00 C ATOM 1031 CD GLN A 72 29.914 -7.394 14.622 1.00 0.00 C ATOM 1032 OE1 GLN A 72 30.150 -8.038 13.602 1.00 0.00 O ATOM 1033 NE2 GLN A 72 30.903 -6.902 15.355 1.00 0.00 N ATOM 0 H GLN A 72 26.730 -3.569 16.490 1.00 0.00 H new ATOM 0 HA GLN A 72 26.187 -5.431 14.270 1.00 0.00 H new ATOM 0 HB2 GLN A 72 28.578 -5.187 14.120 1.00 0.00 H new ATOM 0 HB3 GLN A 72 28.758 -5.157 15.863 1.00 0.00 H new ATOM 0 HG2 GLN A 72 28.292 -7.527 16.039 1.00 0.00 H new ATOM 0 HG3 GLN A 72 27.783 -7.617 14.364 1.00 0.00 H new ATOM 0 HE21 GLN A 72 30.696 -6.369 16.200 1.00 0.00 H new ATOM 0 HE22 GLN A 72 31.871 -7.056 15.074 1.00 0.00 H new ATOM 1042 N TYR A 73 25.204 -6.970 15.925 1.00 0.00 N ATOM 1043 CA TYR A 73 24.443 -7.814 16.837 1.00 0.00 C ATOM 1044 C TYR A 73 24.799 -9.269 16.536 1.00 0.00 C ATOM 1045 O TYR A 73 24.891 -9.641 15.364 1.00 0.00 O ATOM 1046 CB TYR A 73 22.932 -7.618 16.622 1.00 0.00 C ATOM 1047 CG TYR A 73 22.344 -6.214 16.699 1.00 0.00 C ATOM 1048 CD1 TYR A 73 22.962 -5.175 17.426 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.131 -5.952 16.033 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.422 -3.879 17.413 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.567 -4.666 16.040 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.222 -3.617 16.716 1.00 0.00 C ATOM 1053 OH TYR A 73 20.682 -2.369 16.692 1.00 0.00 O ATOM 0 H TYR A 73 25.064 -7.218 14.945 1.00 0.00 H new ATOM 0 HA TYR A 73 24.685 -7.551 17.867 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.685 -8.023 15.641 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.414 -8.231 17.359 1.00 0.00 H new ATOM 0 HD1 TYR A 73 23.856 -5.378 17.996 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.628 -6.751 15.510 1.00 0.00 H new ATOM 0 HE1 TYR A 73 22.926 -3.080 17.937 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.634 -4.481 15.529 1.00 0.00 H new ATOM 0 HH TYR A 73 21.238 -1.762 17.223 1.00 0.00 H new ATOM 1063 N ASN A 74 24.966 -10.099 17.567 1.00 0.00 N ATOM 1064 CA ASN A 74 25.168 -11.540 17.433 1.00 0.00 C ATOM 1065 C ASN A 74 24.324 -12.262 18.491 1.00 0.00 C ATOM 1066 O ASN A 74 24.592 -12.137 19.686 1.00 0.00 O ATOM 1067 CB ASN A 74 26.661 -11.889 17.593 1.00 0.00 C ATOM 1068 CG ASN A 74 26.892 -13.311 18.113 1.00 0.00 C ATOM 1069 OD1 ASN A 74 27.361 -13.500 19.232 1.00 0.00 O ATOM 1070 ND2 ASN A 74 26.574 -14.344 17.349 1.00 0.00 N ATOM 0 H ASN A 74 24.964 -9.781 18.536 1.00 0.00 H new ATOM 0 HA ASN A 74 24.854 -11.864 16.441 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.160 -11.775 16.631 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.123 -11.178 18.278 1.00 0.00 H new ATOM 0 HD21 ASN A 74 26.719 -15.294 17.690 1.00 0.00 H new ATOM 0 HD22 ASN A 74 26.184 -14.190 16.419 1.00 0.00 H new ATOM 1077 N GLY A 75 23.335 -13.043 18.056 1.00 0.00 N ATOM 1078 CA GLY A 75 22.491 -13.863 18.914 1.00 0.00 C ATOM 1079 C GLY A 75 21.733 -13.064 19.976 1.00 0.00 C ATOM 1080 O GLY A 75 21.721 -13.482 21.137 1.00 0.00 O ATOM 0 H GLY A 75 23.095 -13.122 17.068 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.773 -14.401 18.295 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.110 -14.612 19.408 1.00 0.00 H new ATOM 1084 N ILE A 76 21.129 -11.924 19.620 1.00 0.00 N ATOM 1085 CA ILE A 76 20.443 -11.057 20.583 1.00 0.00 C ATOM 1086 C ILE A 76 18.975 -10.853 20.206 1.00 0.00 C ATOM 1087 O ILE A 76 18.597 -10.987 19.044 1.00 0.00 O ATOM 1088 CB ILE A 76 21.171 -9.692 20.753 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.715 -8.600 19.753 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.707 -9.841 20.718 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.402 -7.243 19.947 1.00 0.00 C ATOM 0 H ILE A 76 21.102 -11.578 18.661 1.00 0.00 H new ATOM 0 HA ILE A 76 20.472 -11.566 21.547 1.00 0.00 H new ATOM 0 HB ILE A 76 20.874 -9.349 21.744 1.00 0.00 H new ATOM 0 HG12 ILE A 76 20.906 -8.950 18.738 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.637 -8.465 19.846 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.170 -8.862 20.840 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.027 -10.498 21.527 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.009 -10.268 19.762 1.00 0.00 H new ATOM 0 HD11 ILE A 76 21.026 -6.536 19.207 1.00 0.00 H new ATOM 0 HD12 ILE A 76 21.190 -6.868 20.948 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.479 -7.359 19.824 1.00 0.00 H new ATOM 1103 N TYR A 77 18.174 -10.451 21.187 1.00 0.00 N ATOM 1104 CA TYR A 77 16.818 -9.963 21.025 1.00 0.00 C ATOM 1105 C TYR A 77 16.936 -8.487 21.390 1.00 0.00 C ATOM 1106 O TYR A 77 17.443 -8.183 22.473 1.00 0.00 O ATOM 1107 CB TYR A 77 15.843 -10.675 21.974 1.00 0.00 C ATOM 1108 CG TYR A 77 15.552 -12.127 21.644 1.00 0.00 C ATOM 1109 CD1 TYR A 77 16.422 -13.142 22.085 1.00 0.00 C ATOM 1110 CD2 TYR A 77 14.389 -12.466 20.923 1.00 0.00 C ATOM 1111 CE1 TYR A 77 16.143 -14.490 21.799 1.00 0.00 C ATOM 1112 CE2 TYR A 77 14.103 -13.811 20.632 1.00 0.00 C ATOM 1113 CZ TYR A 77 14.982 -14.831 21.065 1.00 0.00 C ATOM 1114 OH TYR A 77 14.692 -16.133 20.781 1.00 0.00 O ATOM 0 H TYR A 77 18.472 -10.459 22.163 1.00 0.00 H new ATOM 0 HA TYR A 77 16.427 -10.137 20.022 1.00 0.00 H new ATOM 0 HB2 TYR A 77 16.246 -10.624 22.986 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.901 -10.126 21.978 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.308 -12.884 22.646 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.715 -11.689 20.593 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.814 -15.265 22.139 1.00 0.00 H new ATOM 0 HE2 TYR A 77 13.212 -14.066 20.078 1.00 0.00 H new ATOM 0 HH TYR A 77 13.857 -16.178 20.271 1.00 0.00 H new ATOM 1124 N ILE A 78 16.523 -7.561 20.527 1.00 0.00 N ATOM 1125 CA ILE A 78 16.645 -6.132 20.807 1.00 0.00 C ATOM 1126 C ILE A 78 15.366 -5.430 20.362 1.00 0.00 C ATOM 1127 O ILE A 78 14.866 -5.687 19.263 1.00 0.00 O ATOM 1128 CB ILE A 78 17.957 -5.563 20.226 1.00 0.00 C ATOM 1129 CG1 ILE A 78 18.098 -4.077 20.611 1.00 0.00 C ATOM 1130 CG2 ILE A 78 18.082 -5.786 18.711 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.515 -3.525 20.418 1.00 0.00 C ATOM 0 H ILE A 78 16.099 -7.776 19.624 1.00 0.00 H new ATOM 0 HA ILE A 78 16.735 -5.946 21.877 1.00 0.00 H new ATOM 0 HB ILE A 78 18.787 -6.115 20.667 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.403 -3.488 20.013 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.807 -3.951 21.654 1.00 0.00 H new ATOM 0 HG21 ILE A 78 19.024 -5.366 18.358 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.059 -6.855 18.497 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.252 -5.296 18.201 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.539 -2.475 20.709 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.213 -4.089 21.037 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.802 -3.618 19.371 1.00 0.00 H new ATOM 1143 N ARG A 79 14.817 -4.579 21.235 1.00 0.00 N ATOM 1144 CA ARG A 79 13.486 -4.010 21.058 1.00 0.00 C ATOM 1145 C ARG A 79 13.545 -2.516 21.303 1.00 0.00 C ATOM 1146 O ARG A 79 14.085 -2.100 22.329 1.00 0.00 O ATOM 1147 CB ARG A 79 12.500 -4.658 22.058 1.00 0.00 C ATOM 1148 CG ARG A 79 12.625 -6.186 22.157 1.00 0.00 C ATOM 1149 CD ARG A 79 11.699 -6.776 23.226 1.00 0.00 C ATOM 1150 NE ARG A 79 12.011 -8.196 23.472 1.00 0.00 N ATOM 1151 CZ ARG A 79 13.053 -8.670 24.172 1.00 0.00 C ATOM 1152 NH1 ARG A 79 13.916 -7.864 24.785 1.00 0.00 N ATOM 1153 NH2 ARG A 79 13.253 -9.979 24.261 1.00 0.00 N ATOM 0 H ARG A 79 15.288 -4.268 22.085 1.00 0.00 H new ATOM 0 HA ARG A 79 13.143 -4.203 20.042 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.663 -4.226 23.045 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.481 -4.405 21.764 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.390 -6.631 21.190 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.657 -6.450 22.387 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.802 -6.212 24.153 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.661 -6.678 22.907 1.00 0.00 H new ATOM 0 HE ARG A 79 11.373 -8.884 23.072 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.796 -6.853 24.731 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.698 -8.258 25.309 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.614 -10.625 23.797 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.045 -10.339 24.793 1.00 0.00 H new ATOM 1167 N SER A 80 12.952 -1.722 20.417 1.00 0.00 N ATOM 1168 CA SER A 80 12.727 -0.293 20.600 1.00 0.00 C ATOM 1169 C SER A 80 13.990 0.479 21.033 1.00 0.00 C ATOM 1170 O SER A 80 13.888 1.451 21.786 1.00 0.00 O ATOM 1171 CB SER A 80 11.556 -0.130 21.579 1.00 0.00 C ATOM 1172 OG SER A 80 10.416 -0.848 21.124 1.00 0.00 O ATOM 0 H SER A 80 12.604 -2.067 19.523 1.00 0.00 H new ATOM 0 HA SER A 80 12.473 0.158 19.641 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.848 -0.489 22.566 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.308 0.926 21.685 1.00 0.00 H new ATOM 0 HG SER A 80 9.681 -0.733 21.762 1.00 0.00 H new ATOM 1178 N SER A 81 15.178 0.046 20.596 1.00 0.00 N ATOM 1179 CA SER A 81 16.458 0.547 21.093 1.00 0.00 C ATOM 1180 C SER A 81 17.249 1.258 19.988 1.00 0.00 C ATOM 1181 O SER A 81 16.864 1.230 18.817 1.00 0.00 O ATOM 1182 CB SER A 81 17.241 -0.631 21.689 1.00 0.00 C ATOM 1183 OG SER A 81 16.572 -1.168 22.820 1.00 0.00 O ATOM 0 H SER A 81 15.275 -0.672 19.878 1.00 0.00 H new ATOM 0 HA SER A 81 16.285 1.293 21.869 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.367 -1.407 20.934 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.239 -0.300 21.976 1.00 0.00 H new ATOM 0 HG SER A 81 15.681 -1.480 22.556 1.00 0.00 H new ATOM 1189 N THR A 82 18.368 1.888 20.345 1.00 0.00 N ATOM 1190 CA THR A 82 19.257 2.572 19.411 1.00 0.00 C ATOM 1191 C THR A 82 20.693 2.181 19.757 1.00 0.00 C ATOM 1192 O THR A 82 21.070 2.197 20.932 1.00 0.00 O ATOM 1193 CB THR A 82 19.032 4.094 19.504 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.673 4.418 19.265 1.00 0.00 O ATOM 1195 CG2 THR A 82 19.878 4.876 18.493 1.00 0.00 C ATOM 0 H THR A 82 18.687 1.937 21.313 1.00 0.00 H new ATOM 0 HA THR A 82 19.052 2.280 18.381 1.00 0.00 H new ATOM 0 HB THR A 82 19.329 4.377 20.514 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.552 5.388 19.330 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.681 5.943 18.601 1.00 0.00 H new ATOM 0 HG22 THR A 82 20.935 4.682 18.676 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.621 4.560 17.482 1.00 0.00 H new ATOM 1203 N THR A 83 21.503 1.835 18.758 1.00 0.00 N ATOM 1204 CA THR A 83 22.859 1.351 18.972 1.00 0.00 C ATOM 1205 C THR A 83 23.787 2.068 17.988 1.00 0.00 C ATOM 1206 O THR A 83 23.500 2.095 16.785 1.00 0.00 O ATOM 1207 CB THR A 83 22.884 -0.182 18.830 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.465 -0.572 17.541 1.00 0.00 O ATOM 1209 CG2 THR A 83 21.952 -0.880 19.828 1.00 0.00 C ATOM 0 H THR A 83 21.233 1.884 17.776 1.00 0.00 H new ATOM 0 HA THR A 83 23.212 1.573 19.979 1.00 0.00 H new ATOM 0 HB THR A 83 23.916 -0.478 19.021 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.071 -1.259 17.194 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.008 -1.959 19.685 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.257 -0.633 20.845 1.00 0.00 H new ATOM 0 HG23 THR A 83 20.928 -0.545 19.665 1.00 0.00 H new ATOM 1217 N THR A 84 24.878 2.646 18.492 1.00 0.00 N ATOM 1218 CA THR A 84 25.773 3.493 17.717 1.00 0.00 C ATOM 1219 C THR A 84 27.217 3.052 17.967 1.00 0.00 C ATOM 1220 O THR A 84 27.671 3.015 19.113 1.00 0.00 O ATOM 1221 CB THR A 84 25.542 4.970 18.093 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.159 5.289 18.118 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.217 5.914 17.091 1.00 0.00 C ATOM 0 H THR A 84 25.165 2.535 19.464 1.00 0.00 H new ATOM 0 HA THR A 84 25.570 3.393 16.651 1.00 0.00 H new ATOM 0 HB THR A 84 25.975 5.103 19.085 1.00 0.00 H new ATOM 0 HG1 THR A 84 24.045 6.231 18.361 1.00 0.00 H new ATOM 0 HG21 THR A 84 26.035 6.948 17.385 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.290 5.724 17.078 1.00 0.00 H new ATOM 0 HG23 THR A 84 25.807 5.742 16.096 1.00 0.00 H new ATOM 1231 N GLY A 85 27.953 2.735 16.898 1.00 0.00 N ATOM 1232 CA GLY A 85 29.362 2.367 16.958 1.00 0.00 C ATOM 1233 C GLY A 85 29.662 1.247 17.954 1.00 0.00 C ATOM 1234 O GLY A 85 30.694 1.325 18.621 1.00 0.00 O ATOM 0 H GLY A 85 27.575 2.728 15.951 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.690 2.057 15.966 1.00 0.00 H new ATOM 0 HA3 GLY A 85 29.947 3.247 17.227 1.00 0.00 H new ATOM 1238 N THR A 86 28.801 0.236 18.104 1.00 0.00 N ATOM 1239 CA THR A 86 28.909 -0.746 19.183 1.00 0.00 C ATOM 1240 C THR A 86 28.688 -2.170 18.656 1.00 0.00 C ATOM 1241 O THR A 86 28.003 -2.368 17.654 1.00 0.00 O ATOM 1242 CB THR A 86 27.924 -0.314 20.292 1.00 0.00 C ATOM 1243 OG1 THR A 86 28.189 -0.940 21.527 1.00 0.00 O ATOM 1244 CG2 THR A 86 26.440 -0.482 19.965 1.00 0.00 C ATOM 0 H THR A 86 28.010 0.077 17.480 1.00 0.00 H new ATOM 0 HA THR A 86 29.912 -0.773 19.609 1.00 0.00 H new ATOM 0 HB THR A 86 28.111 0.758 20.364 1.00 0.00 H new ATOM 0 HG1 THR A 86 29.067 -1.374 21.492 1.00 0.00 H new ATOM 0 HG21 THR A 86 25.841 -0.149 20.812 1.00 0.00 H new ATOM 0 HG22 THR A 86 26.191 0.114 19.087 1.00 0.00 H new ATOM 0 HG23 THR A 86 26.229 -1.532 19.762 1.00 0.00 H new ATOM 1252 N SER A 87 29.229 -3.174 19.346 1.00 0.00 N ATOM 1253 CA SER A 87 28.935 -4.581 19.098 1.00 0.00 C ATOM 1254 C SER A 87 28.256 -5.153 20.339 1.00 0.00 C ATOM 1255 O SER A 87 28.585 -4.765 21.465 1.00 0.00 O ATOM 1256 CB SER A 87 30.213 -5.354 18.760 1.00 0.00 C ATOM 1257 OG SER A 87 30.765 -4.899 17.537 1.00 0.00 O ATOM 0 H SER A 87 29.895 -3.028 20.105 1.00 0.00 H new ATOM 0 HA SER A 87 28.270 -4.677 18.240 1.00 0.00 H new ATOM 0 HB2 SER A 87 30.941 -5.231 19.562 1.00 0.00 H new ATOM 0 HB3 SER A 87 29.992 -6.419 18.691 1.00 0.00 H new ATOM 0 HG SER A 87 31.676 -5.247 17.440 1.00 0.00 H new ATOM 1263 N ILE A 88 27.308 -6.064 20.127 1.00 0.00 N ATOM 1264 CA ILE A 88 26.451 -6.629 21.157 1.00 0.00 C ATOM 1265 C ILE A 88 26.351 -8.126 20.866 1.00 0.00 C ATOM 1266 O ILE A 88 26.031 -8.520 19.740 1.00 0.00 O ATOM 1267 CB ILE A 88 25.053 -5.961 21.135 1.00 0.00 C ATOM 1268 CG1 ILE A 88 25.138 -4.416 21.073 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.233 -6.438 22.347 1.00 0.00 C ATOM 1270 CD1 ILE A 88 23.794 -3.697 21.203 1.00 0.00 C ATOM 0 H ILE A 88 27.112 -6.439 19.199 1.00 0.00 H new ATOM 0 HA ILE A 88 26.863 -6.455 22.151 1.00 0.00 H new ATOM 0 HB ILE A 88 24.544 -6.269 20.222 1.00 0.00 H new ATOM 0 HG12 ILE A 88 25.798 -4.070 21.868 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.599 -4.129 20.128 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.250 -5.967 22.330 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.117 -7.521 22.304 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.750 -6.164 23.267 1.00 0.00 H new ATOM 0 HD11 ILE A 88 23.951 -2.620 21.149 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.135 -4.009 20.393 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.338 -3.949 22.160 1.00 0.00 H new ATOM 1282 N SER A 89 26.598 -8.945 21.884 1.00 0.00 N ATOM 1283 CA SER A 89 26.667 -10.394 21.769 1.00 0.00 C ATOM 1284 C SER A 89 25.973 -11.044 22.968 1.00 0.00 C ATOM 1285 O SER A 89 25.705 -10.377 23.972 1.00 0.00 O ATOM 1286 CB SER A 89 28.139 -10.825 21.679 1.00 0.00 C ATOM 1287 OG SER A 89 28.823 -10.150 20.632 1.00 0.00 O ATOM 0 H SER A 89 26.759 -8.609 22.834 1.00 0.00 H new ATOM 0 HA SER A 89 26.153 -10.721 20.865 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.636 -10.622 22.628 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.193 -11.901 21.514 1.00 0.00 H new ATOM 0 HG SER A 89 29.756 -10.448 20.606 1.00 0.00 H new ATOM 1321 N CYS A 93 21.162 -12.916 24.500 1.00 0.00 N ATOM 1322 CA CYS A 93 21.104 -11.545 24.984 1.00 0.00 C ATOM 1323 C CYS A 93 19.701 -10.991 24.718 1.00 0.00 C ATOM 1324 O CYS A 93 19.096 -11.320 23.697 1.00 0.00 O ATOM 1325 CB CYS A 93 22.194 -10.756 24.248 1.00 0.00 C ATOM 1326 SG CYS A 93 22.087 -8.950 24.247 1.00 0.00 S ATOM 0 HA CYS A 93 21.284 -11.473 26.057 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.155 -11.033 24.681 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.204 -11.090 23.210 1.00 0.00 H new ATOM 1331 N SER A 94 19.201 -10.123 25.594 1.00 0.00 N ATOM 1332 CA SER A 94 17.901 -9.487 25.475 1.00 0.00 C ATOM 1333 C SER A 94 18.067 -8.028 25.895 1.00 0.00 C ATOM 1334 O SER A 94 18.651 -7.754 26.945 1.00 0.00 O ATOM 1335 CB SER A 94 16.906 -10.241 26.361 1.00 0.00 C ATOM 1336 OG SER A 94 15.570 -9.830 26.124 1.00 0.00 O ATOM 0 H SER A 94 19.709 -9.837 26.431 1.00 0.00 H new ATOM 0 HA SER A 94 17.515 -9.514 24.456 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.995 -11.312 26.177 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.156 -10.076 27.409 1.00 0.00 H new ATOM 0 HG SER A 94 14.964 -10.334 26.706 1.00 0.00 H new ATOM 1342 N ILE A 95 17.577 -7.095 25.076 1.00 0.00 N ATOM 1343 CA ILE A 95 17.692 -5.656 25.282 1.00 0.00 C ATOM 1344 C ILE A 95 16.345 -5.033 24.921 1.00 0.00 C ATOM 1345 O ILE A 95 15.739 -5.398 23.908 1.00 0.00 O ATOM 1346 CB ILE A 95 18.851 -5.068 24.433 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.181 -5.766 24.792 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.949 -3.535 24.590 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.447 -5.151 24.193 1.00 0.00 C ATOM 0 H ILE A 95 17.072 -7.333 24.222 1.00 0.00 H new ATOM 0 HA ILE A 95 17.933 -5.431 26.321 1.00 0.00 H new ATOM 0 HB ILE A 95 18.638 -5.261 23.382 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.283 -5.772 25.877 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.120 -6.806 24.471 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.771 -3.159 23.981 1.00 0.00 H new ATOM 0 HG22 ILE A 95 18.016 -3.075 24.264 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.129 -3.287 25.636 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.317 -5.724 24.514 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.381 -5.170 23.105 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.547 -4.120 24.533 1.00 0.00 H new ATOM 1361 N SER A 96 15.905 -4.057 25.709 1.00 0.00 N ATOM 1362 CA SER A 96 14.695 -3.305 25.429 1.00 0.00 C ATOM 1363 C SER A 96 14.911 -1.838 25.786 1.00 0.00 C ATOM 1364 O SER A 96 15.574 -1.527 26.781 1.00 0.00 O ATOM 1365 CB SER A 96 13.515 -3.884 26.220 1.00 0.00 C ATOM 1366 OG SER A 96 13.330 -5.267 25.952 1.00 0.00 O ATOM 0 H SER A 96 16.383 -3.767 26.562 1.00 0.00 H new ATOM 0 HA SER A 96 14.463 -3.380 24.367 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.686 -3.740 27.287 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.605 -3.340 25.967 1.00 0.00 H new ATOM 0 HG SER A 96 14.061 -5.779 26.357 1.00 0.00 H new ATOM 1372 N THR A 97 14.306 -0.971 24.971 1.00 0.00 N ATOM 1373 CA THR A 97 14.162 0.472 25.174 1.00 0.00 C ATOM 1374 C THR A 97 15.460 1.183 25.613 1.00 0.00 C ATOM 1375 O THR A 97 15.424 2.141 26.388 1.00 0.00 O ATOM 1376 CB THR A 97 12.916 0.749 26.051 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.804 -0.130 27.153 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.628 0.573 25.239 1.00 0.00 C ATOM 0 H THR A 97 13.877 -1.277 24.098 1.00 0.00 H new ATOM 0 HA THR A 97 13.979 0.942 24.207 1.00 0.00 H new ATOM 0 HB THR A 97 13.044 1.772 26.405 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.460 0.118 27.837 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.766 0.773 25.876 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.629 1.269 24.400 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.572 -0.448 24.863 1.00 0.00 H new ATOM 1386 N CYS A 98 16.617 0.729 25.117 1.00 0.00 N ATOM 1387 CA CYS A 98 17.927 1.198 25.548 1.00 0.00 C ATOM 1388 C CYS A 98 18.586 2.046 24.454 1.00 0.00 C ATOM 1389 O CYS A 98 18.220 1.966 23.280 1.00 0.00 O ATOM 1390 CB CYS A 98 18.796 -0.022 25.892 1.00 0.00 C ATOM 1391 SG CYS A 98 20.302 0.391 26.810 1.00 0.00 S ATOM 0 H CYS A 98 16.663 0.013 24.392 1.00 0.00 H new ATOM 0 HA CYS A 98 17.819 1.830 26.430 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.204 -0.724 26.479 1.00 0.00 H new ATOM 0 HB3 CYS A 98 19.072 -0.532 24.969 1.00 0.00 H new ATOM 1396 N THR A 99 19.610 2.813 24.826 1.00 0.00 N ATOM 1397 CA THR A 99 20.486 3.511 23.899 1.00 0.00 C ATOM 1398 C THR A 99 21.903 3.079 24.277 1.00 0.00 C ATOM 1399 O THR A 99 22.234 3.020 25.464 1.00 0.00 O ATOM 1400 CB THR A 99 20.256 5.027 23.987 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.896 5.335 23.734 1.00 0.00 O ATOM 1402 CG2 THR A 99 21.109 5.802 22.976 1.00 0.00 C ATOM 0 H THR A 99 19.855 2.967 25.804 1.00 0.00 H new ATOM 0 HA THR A 99 20.293 3.262 22.855 1.00 0.00 H new ATOM 0 HB THR A 99 20.542 5.325 24.996 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.763 6.304 23.795 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.912 6.869 23.076 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.165 5.608 23.167 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.858 5.480 21.965 1.00 0.00 H new ATOM 1410 N ILE A 100 22.729 2.714 23.295 1.00 0.00 N ATOM 1411 CA ILE A 100 24.047 2.137 23.535 1.00 0.00 C ATOM 1412 C ILE A 100 24.997 2.785 22.538 1.00 0.00 C ATOM 1413 O ILE A 100 24.704 2.834 21.342 1.00 0.00 O ATOM 1414 CB ILE A 100 24.007 0.589 23.410 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.885 -0.027 24.285 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.374 -0.018 23.789 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.759 -1.550 24.222 1.00 0.00 C ATOM 0 H ILE A 100 22.498 2.812 22.306 1.00 0.00 H new ATOM 0 HA ILE A 100 24.391 2.334 24.550 1.00 0.00 H new ATOM 0 HB ILE A 100 23.787 0.349 22.370 1.00 0.00 H new ATOM 0 HG12 ILE A 100 23.057 0.263 25.322 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.933 0.411 23.985 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.329 -1.103 23.696 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.143 0.372 23.122 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.618 0.248 24.818 1.00 0.00 H new ATOM 0 HD11 ILE A 100 21.945 -1.875 24.870 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.550 -1.856 23.197 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.692 -2.006 24.554 1.00 0.00 H new ATOM 1429 N THR A 101 26.137 3.269 23.023 1.00 0.00 N ATOM 1430 CA THR A 101 27.136 3.955 22.221 1.00 0.00 C ATOM 1431 C THR A 101 28.496 3.370 22.593 1.00 0.00 C ATOM 1432 O THR A 101 28.854 3.360 23.770 1.00 0.00 O ATOM 1433 CB THR A 101 27.051 5.472 22.473 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.730 5.944 22.263 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.977 6.265 21.544 1.00 0.00 C ATOM 0 H THR A 101 26.394 3.192 24.007 1.00 0.00 H new ATOM 0 HA THR A 101 26.971 3.811 21.153 1.00 0.00 H new ATOM 0 HB THR A 101 27.358 5.624 23.508 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.697 6.909 22.430 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.883 7.330 21.759 1.00 0.00 H new ATOM 0 HG22 THR A 101 29.009 5.952 21.705 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.699 6.078 20.507 1.00 0.00 H new ATOM 1443 N ARG A 102 29.250 2.880 21.599 1.00 0.00 N ATOM 1444 CA ARG A 102 30.619 2.360 21.742 1.00 0.00 C ATOM 1445 C ARG A 102 30.821 1.507 23.006 1.00 0.00 C ATOM 1446 O ARG A 102 31.744 1.738 23.786 1.00 0.00 O ATOM 1447 CB ARG A 102 31.633 3.516 21.640 1.00 0.00 C ATOM 1448 CG ARG A 102 31.501 4.293 20.316 1.00 0.00 C ATOM 1449 CD ARG A 102 32.743 5.107 19.921 1.00 0.00 C ATOM 1450 NE ARG A 102 34.008 4.339 19.876 1.00 0.00 N ATOM 1451 CZ ARG A 102 34.309 3.269 19.123 1.00 0.00 C ATOM 1452 NH1 ARG A 102 33.415 2.649 18.364 1.00 0.00 N ATOM 1453 NH2 ARG A 102 35.533 2.762 19.123 1.00 0.00 N ATOM 0 H ARG A 102 28.912 2.833 20.638 1.00 0.00 H new ATOM 0 HA ARG A 102 30.796 1.671 20.916 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.487 4.200 22.476 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.644 3.118 21.726 1.00 0.00 H new ATOM 0 HG2 ARG A 102 31.278 3.586 19.517 1.00 0.00 H new ATOM 0 HG3 ARG A 102 30.649 4.969 20.391 1.00 0.00 H new ATOM 0 HD2 ARG A 102 32.571 5.551 18.941 1.00 0.00 H new ATOM 0 HD3 ARG A 102 32.860 5.929 20.627 1.00 0.00 H new ATOM 0 HE ARG A 102 34.747 4.665 20.498 1.00 0.00 H new ATOM 0 HH11 ARG A 102 32.451 2.982 18.336 1.00 0.00 H new ATOM 0 HH12 ARG A 102 33.691 1.839 17.809 1.00 0.00 H new ATOM 0 HH21 ARG A 102 36.260 3.185 19.700 1.00 0.00 H new ATOM 0 HH22 ARG A 102 35.748 1.949 18.546 1.00 0.00 H new ATOM 1467 N GLY A 103 29.950 0.521 23.218 1.00 0.00 N ATOM 1468 CA GLY A 103 30.079 -0.454 24.290 1.00 0.00 C ATOM 1469 C GLY A 103 29.506 0.021 25.627 1.00 0.00 C ATOM 1470 O GLY A 103 29.629 -0.709 26.610 1.00 0.00 O ATOM 0 H GLY A 103 29.123 0.379 22.638 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.574 -1.374 23.995 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.133 -0.697 24.423 1.00 0.00 H new ATOM 1474 N VAL A 104 28.880 1.202 25.691 1.00 0.00 N ATOM 1475 CA VAL A 104 28.367 1.788 26.929 1.00 0.00 C ATOM 1476 C VAL A 104 26.875 2.072 26.736 1.00 0.00 C ATOM 1477 O VAL A 104 26.489 2.840 25.853 1.00 0.00 O ATOM 1478 CB VAL A 104 29.185 3.051 27.293 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.737 3.639 28.638 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.694 2.757 27.385 1.00 0.00 C ATOM 0 H VAL A 104 28.714 1.784 24.870 1.00 0.00 H new ATOM 0 HA VAL A 104 28.476 1.103 27.770 1.00 0.00 H new ATOM 0 HB VAL A 104 29.002 3.765 26.490 1.00 0.00 H new ATOM 0 HG11 VAL A 104 29.331 4.524 28.864 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.684 3.913 28.582 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.878 2.897 29.424 1.00 0.00 H new ATOM 0 HG21 VAL A 104 31.228 3.672 27.643 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.872 2.005 28.153 1.00 0.00 H new ATOM 0 HG23 VAL A 104 31.052 2.386 26.424 1.00 0.00 H new ATOM 1490 N ALA A 105 26.028 1.421 27.538 1.00 0.00 N ATOM 1491 CA ALA A 105 24.596 1.696 27.593 1.00 0.00 C ATOM 1492 C ALA A 105 24.337 2.989 28.375 1.00 0.00 C ATOM 1493 O ALA A 105 25.101 3.326 29.286 1.00 0.00 O ATOM 1494 CB ALA A 105 23.885 0.519 28.266 1.00 0.00 C ATOM 0 H ALA A 105 26.324 0.680 28.173 1.00 0.00 H new ATOM 0 HA ALA A 105 24.210 1.822 26.581 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.814 0.718 28.310 1.00 0.00 H new ATOM 0 HB2 ALA A 105 24.062 -0.390 27.691 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.272 0.390 29.277 1.00 0.00 H new ATOM 1548 N ALA A 110 14.820 3.409 31.363 1.00 0.00 N ATOM 1549 CA ALA A 110 14.181 2.799 30.202 1.00 0.00 C ATOM 1550 C ALA A 110 15.048 1.690 29.596 1.00 0.00 C ATOM 1551 O ALA A 110 14.504 0.773 28.983 1.00 0.00 O ATOM 1552 CB ALA A 110 13.895 3.876 29.149 1.00 0.00 C ATOM 0 HA ALA A 110 13.246 2.345 30.530 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.418 3.419 28.282 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.233 4.632 29.572 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.831 4.344 28.843 1.00 0.00 H new ATOM 1558 N CYS A 111 16.372 1.738 29.768 1.00 0.00 N ATOM 1559 CA CYS A 111 17.254 0.702 29.260 1.00 0.00 C ATOM 1560 C CYS A 111 17.088 -0.559 30.110 1.00 0.00 C ATOM 1561 O CYS A 111 17.257 -0.510 31.332 1.00 0.00 O ATOM 1562 CB CYS A 111 18.712 1.182 29.316 1.00 0.00 C ATOM 1563 SG CYS A 111 19.902 -0.062 28.752 1.00 0.00 S ATOM 0 H CYS A 111 16.852 2.492 30.260 1.00 0.00 H new ATOM 0 HA CYS A 111 16.997 0.480 28.224 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.816 2.077 28.703 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.954 1.467 30.340 1.00 0.00 H new ATOM 1568 N LYS A 112 16.805 -1.696 29.468 1.00 0.00 N ATOM 1569 CA LYS A 112 16.834 -3.021 30.085 1.00 0.00 C ATOM 1570 C LYS A 112 17.803 -3.849 29.249 1.00 0.00 C ATOM 1571 O LYS A 112 17.743 -3.786 28.020 1.00 0.00 O ATOM 1572 CB LYS A 112 15.442 -3.684 30.107 1.00 0.00 C ATOM 1573 CG LYS A 112 14.518 -3.258 31.265 1.00 0.00 C ATOM 1574 CD LYS A 112 13.867 -1.869 31.155 1.00 0.00 C ATOM 1575 CE LYS A 112 12.998 -1.666 29.903 1.00 0.00 C ATOM 1576 NZ LYS A 112 11.765 -2.493 29.895 1.00 0.00 N ATOM 0 H LYS A 112 16.544 -1.719 28.482 1.00 0.00 H new ATOM 0 HA LYS A 112 17.146 -2.948 31.127 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.940 -3.463 29.165 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.575 -4.765 30.151 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.724 -3.999 31.357 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.094 -3.291 32.190 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.252 -1.699 32.039 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.652 -1.113 31.163 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.721 -0.614 29.830 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.589 -1.902 29.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.228 -2.307 29.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.022 -3.500 29.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.180 -2.253 30.721 1.00 0.00 H new ATOM 1590 N ILE A 113 18.677 -4.614 29.903 1.00 0.00 N ATOM 1591 CA ILE A 113 19.674 -5.491 29.293 1.00 0.00 C ATOM 1592 C ILE A 113 19.730 -6.732 30.190 1.00 0.00 C ATOM 1593 O ILE A 113 19.797 -6.594 31.417 1.00 0.00 O ATOM 1594 CB ILE A 113 21.055 -4.775 29.209 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.014 -3.618 28.186 1.00 0.00 C ATOM 1596 CG2 ILE A 113 22.186 -5.744 28.819 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.313 -2.816 28.041 1.00 0.00 C ATOM 0 H ILE A 113 18.710 -4.639 30.922 1.00 0.00 H new ATOM 0 HA ILE A 113 19.414 -5.761 28.269 1.00 0.00 H new ATOM 0 HB ILE A 113 21.261 -4.382 30.205 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.750 -4.028 27.211 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.215 -2.933 28.471 1.00 0.00 H new ATOM 0 HG21 ILE A 113 23.130 -5.201 28.773 1.00 0.00 H new ATOM 0 HG22 ILE A 113 22.259 -6.536 29.564 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.970 -6.181 27.844 1.00 0.00 H new ATOM 0 HD11 ILE A 113 22.174 -2.030 27.299 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.573 -2.368 29.000 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.116 -3.479 27.721 1.00 0.00 H new ATOM 1609 N SER A 114 19.750 -7.923 29.586 1.00 0.00 N ATOM 1610 CA SER A 114 19.863 -9.203 30.273 1.00 0.00 C ATOM 1611 C SER A 114 20.677 -10.161 29.399 1.00 0.00 C ATOM 1612 O SER A 114 20.400 -10.298 28.207 1.00 0.00 O ATOM 1613 CB SER A 114 18.461 -9.787 30.522 1.00 0.00 C ATOM 1614 OG SER A 114 17.624 -8.894 31.245 1.00 0.00 O ATOM 0 H SER A 114 19.686 -8.021 28.573 1.00 0.00 H new ATOM 0 HA SER A 114 20.361 -9.065 31.233 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.994 -10.025 29.566 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.553 -10.723 31.074 1.00 0.00 H new ATOM 0 HG SER A 114 16.745 -9.305 31.378 1.00 0.00 H new ATOM 1620 N GLY A 115 21.666 -10.841 29.989 1.00 0.00 N ATOM 1621 CA GLY A 115 22.416 -11.912 29.334 1.00 0.00 C ATOM 1622 C GLY A 115 23.287 -11.441 28.166 1.00 0.00 C ATOM 1623 O GLY A 115 23.551 -12.233 27.259 1.00 0.00 O ATOM 0 H GLY A 115 21.970 -10.659 30.946 1.00 0.00 H new ATOM 0 HA2 GLY A 115 23.051 -12.401 30.073 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.714 -12.663 28.970 1.00 0.00 H new ATOM 1627 N CYS A 116 23.712 -10.173 28.155 1.00 0.00 N ATOM 1628 CA CYS A 116 24.446 -9.578 27.041 1.00 0.00 C ATOM 1629 C CYS A 116 25.903 -9.296 27.399 1.00 0.00 C ATOM 1630 O CYS A 116 26.264 -9.172 28.573 1.00 0.00 O ATOM 1631 CB CYS A 116 23.774 -8.260 26.648 1.00 0.00 C ATOM 1632 SG CYS A 116 22.032 -8.399 26.196 1.00 0.00 S ATOM 0 H CYS A 116 23.553 -9.527 28.928 1.00 0.00 H new ATOM 0 HA CYS A 116 24.432 -10.290 26.216 1.00 0.00 H new ATOM 0 HB2 CYS A 116 23.864 -7.561 27.480 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.319 -7.828 25.809 1.00 0.00 H new ATOM 1637 N SER A 117 26.702 -9.104 26.353 1.00 0.00 N ATOM 1638 CA SER A 117 28.071 -8.615 26.390 1.00 0.00 C ATOM 1639 C SER A 117 28.149 -7.463 25.384 1.00 0.00 C ATOM 1640 O SER A 117 27.462 -7.495 24.356 1.00 0.00 O ATOM 1641 CB SER A 117 29.039 -9.752 26.033 1.00 0.00 C ATOM 1642 OG SER A 117 28.872 -10.862 26.904 1.00 0.00 O ATOM 0 H SER A 117 26.389 -9.298 25.402 1.00 0.00 H new ATOM 0 HA SER A 117 28.353 -8.263 27.382 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.871 -10.066 25.003 1.00 0.00 H new ATOM 0 HB3 SER A 117 30.066 -9.391 26.093 1.00 0.00 H new ATOM 0 HG SER A 117 29.499 -11.572 26.653 1.00 0.00 H new ATOM 1648 N LEU A 118 28.960 -6.444 25.680 1.00 0.00 N ATOM 1649 CA LEU A 118 29.078 -5.220 24.890 1.00 0.00 C ATOM 1650 C LEU A 118 30.552 -4.961 24.601 1.00 0.00 C ATOM 1651 O LEU A 118 31.403 -5.224 25.458 1.00 0.00 O ATOM 1652 CB LEU A 118 28.500 -4.015 25.663 1.00 0.00 C ATOM 1653 CG LEU A 118 26.986 -4.036 25.937 1.00 0.00 C ATOM 1654 CD1 LEU A 118 26.583 -2.802 26.755 1.00 0.00 C ATOM 1655 CD2 LEU A 118 26.178 -4.048 24.639 1.00 0.00 C ATOM 0 H LEU A 118 29.568 -6.450 26.499 1.00 0.00 H new ATOM 0 HA LEU A 118 28.520 -5.343 23.962 1.00 0.00 H new ATOM 0 HB2 LEU A 118 29.019 -3.943 26.619 1.00 0.00 H new ATOM 0 HB3 LEU A 118 28.733 -3.108 25.105 1.00 0.00 H new ATOM 0 HG LEU A 118 26.769 -4.948 26.493 1.00 0.00 H new ATOM 0 HD11 LEU A 118 25.510 -2.825 26.944 1.00 0.00 H new ATOM 0 HD12 LEU A 118 27.119 -2.804 27.704 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.834 -1.899 26.199 1.00 0.00 H new ATOM 0 HD21 LEU A 118 25.114 -4.063 24.873 1.00 0.00 H new ATOM 0 HD22 LEU A 118 26.409 -3.155 24.058 1.00 0.00 H new ATOM 0 HD23 LEU A 118 26.434 -4.935 24.059 1.00 0.00 H new ATOM 1667 N SER A 119 30.843 -4.382 23.435 1.00 0.00 N ATOM 1668 CA SER A 119 32.182 -3.962 23.038 1.00 0.00 C ATOM 1669 C SER A 119 32.065 -2.717 22.157 1.00 0.00 C ATOM 1670 O SER A 119 31.085 -2.563 21.424 1.00 0.00 O ATOM 1671 CB SER A 119 32.880 -5.088 22.254 1.00 0.00 C ATOM 1672 OG SER A 119 32.856 -6.334 22.938 1.00 0.00 O ATOM 0 H SER A 119 30.136 -4.189 22.726 1.00 0.00 H new ATOM 0 HA SER A 119 32.773 -3.738 23.926 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.397 -5.202 21.284 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.915 -4.804 22.063 1.00 0.00 H new ATOM 0 HG SER A 119 33.310 -7.013 22.397 1.00 0.00 H new ATOM 1678 N ALA A 120 33.059 -1.828 22.210 1.00 0.00 N ATOM 1679 CA ALA A 120 33.153 -0.727 21.261 1.00 0.00 C ATOM 1680 C ALA A 120 33.475 -1.299 19.875 1.00 0.00 C ATOM 1681 O ALA A 120 34.276 -2.232 19.761 1.00 0.00 O ATOM 1682 CB ALA A 120 34.239 0.256 21.711 1.00 0.00 C ATOM 0 H ALA A 120 33.808 -1.853 22.902 1.00 0.00 H new ATOM 0 HA ALA A 120 32.207 -0.187 21.215 1.00 0.00 H new ATOM 0 HB1 ALA A 120 34.305 1.077 20.997 1.00 0.00 H new ATOM 0 HB2 ALA A 120 33.988 0.650 22.696 1.00 0.00 H new ATOM 0 HB3 ALA A 120 35.198 -0.259 21.761 1.00 0.00 H new ATOM 1688 N MET A 121 32.866 -0.734 18.830 1.00 0.00 N ATOM 1689 CA MET A 121 33.202 -1.054 17.449 1.00 0.00 C ATOM 1690 C MET A 121 34.643 -0.620 17.186 1.00 0.00 C ATOM 1691 O MET A 121 35.453 -1.443 16.712 1.00 0.00 O ATOM 1692 CB MET A 121 32.201 -0.362 16.516 1.00 0.00 C ATOM 1693 CG MET A 121 32.426 -0.683 15.034 1.00 0.00 C ATOM 1694 SD MET A 121 32.315 -2.439 14.583 1.00 0.00 S ATOM 1695 CE MET A 121 30.542 -2.738 14.824 1.00 0.00 C ATOM 1696 OXT MET A 121 34.956 0.557 17.474 1.00 0.00 O ATOM 0 H MET A 121 32.124 -0.040 18.923 1.00 0.00 H new ATOM 0 HA MET A 121 33.135 -2.126 17.261 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.190 -0.660 16.795 1.00 0.00 H new ATOM 0 HB3 MET A 121 32.267 0.716 16.660 1.00 0.00 H new ATOM 0 HG2 MET A 121 31.694 -0.129 14.446 1.00 0.00 H new ATOM 0 HG3 MET A 121 33.411 -0.315 14.747 1.00 0.00 H new ATOM 0 HE1 MET A 121 30.300 -3.756 14.519 1.00 0.00 H new ATOM 0 HE2 MET A 121 30.290 -2.604 15.876 1.00 0.00 H new ATOM 0 HE3 MET A 121 29.969 -2.033 14.222 1.00 0.00 H new