USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1011 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 56 SER OG : rot 77:sc= 0.834 USER MOD Set 1.2: A 85 MET CE :methyl 155:sc= -0.0184 (180deg=-0.351) USER MOD Single : A 1 MET CE :methyl -108:sc= -0.351 (180deg=-1.41!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= 0.629 (180deg=0.471) USER MOD Single : A 15 SER OG : rot 68:sc= 1.15 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -169:sc= -0.126 (180deg=-0.417) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0.147 (180deg=0.108) USER MOD Single : A 31 ASN : amide:sc= 0.525 K(o=0.53,f=-0.49) USER MOD Single : A 32 ASN : amide:sc= 0.502 K(o=0.5,f=-1.9!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.1!) USER MOD Single : A 51 TYR OH : rot -175:sc= 1.24 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 155:sc= -0.659 (180deg=-1.51!) USER MOD Single : A 62 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 63 MET CE :methyl -174:sc= 0 (180deg=-0.0641) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 78 MET CE :methyl 178:sc= 0 (180deg=-0.00415) USER MOD Single : A 79 SER OG : rot -150:sc= -0.218 USER MOD Single : A 87 THR OG1 : rot 71:sc= 1.01 USER MOD Single : A 91 LYS NZ :NH3+ -133:sc= 1.3 (180deg=0.491) USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= -0.125 (180deg=-1) USER MOD Single : A 94 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 100 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.32) USER MOD Single : A 104 SER OG : rot -52:sc= 0.892 USER MOD Single : A 106 TYR OH : rot -160:sc= 1.29 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 149:sc= 0.961 (180deg=0.297) USER MOD Single : A 121 ASN : amide:sc= 0.816 K(o=0.82,f=-0.0057) USER MOD Single : A 122 LYS NZ :NH3+ -157:sc= -0.143 (180deg=-1.12) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.423 -18.065 2.584 1.00 0.00 N ATOM 2 CA MET A 1 19.017 -18.493 2.528 1.00 0.00 C ATOM 3 C MET A 1 18.126 -17.387 3.115 1.00 0.00 C ATOM 4 O MET A 1 17.467 -17.574 4.143 1.00 0.00 O ATOM 5 CB MET A 1 18.866 -19.856 3.225 1.00 0.00 C ATOM 6 CG MET A 1 17.540 -20.552 2.919 1.00 0.00 C ATOM 7 SD MET A 1 17.380 -21.097 1.199 1.00 0.00 S ATOM 8 CE MET A 1 16.438 -19.724 0.490 1.00 0.00 C ATOM 0 H1 MET A 1 21.029 -18.811 2.187 1.00 0.00 H new ATOM 0 H2 MET A 1 20.542 -17.192 2.032 1.00 0.00 H new ATOM 0 H3 MET A 1 20.693 -17.889 3.573 1.00 0.00 H new ATOM 0 HA MET A 1 18.689 -18.640 1.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.687 -20.505 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.954 -19.716 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.434 -21.416 3.575 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.721 -19.872 3.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.418 -20.049 0.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.420 -18.893 1.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.908 -19.402 -0.439 1.00 0.00 H new ATOM 20 N ALA A 2 18.140 -16.201 2.498 1.00 0.00 N ATOM 21 CA ALA A 2 17.603 -14.958 3.038 1.00 0.00 C ATOM 22 C ALA A 2 16.387 -14.534 2.219 1.00 0.00 C ATOM 23 O ALA A 2 16.531 -14.135 1.069 1.00 0.00 O ATOM 24 CB ALA A 2 18.688 -13.876 3.007 1.00 0.00 C ATOM 0 H ALA A 2 18.544 -16.081 1.569 1.00 0.00 H new ATOM 0 HA ALA A 2 17.291 -15.104 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.287 -12.947 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 2 19.538 -14.196 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.012 -13.715 1.979 1.00 0.00 H new ATOM 30 N ASP A 3 15.193 -14.590 2.808 1.00 0.00 N ATOM 31 CA ASP A 3 13.938 -14.261 2.118 1.00 0.00 C ATOM 32 C ASP A 3 13.787 -12.754 1.860 1.00 0.00 C ATOM 33 O ASP A 3 12.858 -12.322 1.171 1.00 0.00 O ATOM 34 CB ASP A 3 12.729 -14.741 2.938 1.00 0.00 C ATOM 35 CG ASP A 3 12.688 -16.257 3.076 1.00 0.00 C ATOM 36 OD1 ASP A 3 12.121 -16.937 2.195 1.00 0.00 O ATOM 37 OD2 ASP A 3 13.247 -16.776 4.073 1.00 0.00 O ATOM 0 H ASP A 3 15.064 -14.866 3.782 1.00 0.00 H new ATOM 0 HA ASP A 3 13.973 -14.773 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.763 -14.289 3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.811 -14.397 2.462 1.00 0.00 H new ATOM 42 N LYS A 4 14.671 -11.934 2.437 1.00 0.00 N ATOM 43 CA LYS A 4 14.558 -10.481 2.593 1.00 0.00 C ATOM 44 C LYS A 4 14.638 -9.692 1.278 1.00 0.00 C ATOM 45 O LYS A 4 14.677 -8.463 1.312 1.00 0.00 O ATOM 46 CB LYS A 4 15.594 -10.013 3.638 1.00 0.00 C ATOM 47 CG LYS A 4 15.271 -10.563 5.044 1.00 0.00 C ATOM 48 CD LYS A 4 16.229 -10.011 6.112 1.00 0.00 C ATOM 49 CE LYS A 4 15.843 -10.508 7.517 1.00 0.00 C ATOM 50 NZ LYS A 4 16.780 -11.516 8.059 1.00 0.00 N ATOM 0 H LYS A 4 15.541 -12.291 2.833 1.00 0.00 H new ATOM 0 HA LYS A 4 13.553 -10.262 2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.589 -10.342 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 4 15.614 -8.924 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.246 -10.304 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.331 -11.651 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 4 17.249 -10.318 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.212 -8.921 6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.802 -9.657 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.841 -10.936 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.465 -11.809 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.802 -12.344 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.733 -11.105 8.124 1.00 0.00 H new ATOM 64 N GLU A 5 14.665 -10.346 0.118 1.00 0.00 N ATOM 65 CA GLU A 5 14.505 -9.701 -1.184 1.00 0.00 C ATOM 66 C GLU A 5 13.073 -9.217 -1.438 1.00 0.00 C ATOM 67 O GLU A 5 12.887 -8.359 -2.312 1.00 0.00 O ATOM 68 CB GLU A 5 14.892 -10.682 -2.295 1.00 0.00 C ATOM 69 CG GLU A 5 13.876 -11.833 -2.429 1.00 0.00 C ATOM 70 CD GLU A 5 14.342 -12.960 -3.337 1.00 0.00 C ATOM 71 OE1 GLU A 5 14.925 -12.682 -4.410 1.00 0.00 O ATOM 72 OE2 GLU A 5 14.137 -14.136 -2.960 1.00 0.00 O ATOM 0 H GLU A 5 14.801 -11.355 0.055 1.00 0.00 H new ATOM 0 HA GLU A 5 15.157 -8.828 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.961 -10.148 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.880 -11.093 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.668 -12.239 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.937 -11.434 -2.813 1.00 0.00 H new ATOM 79 N LEU A 6 12.086 -9.798 -0.731 1.00 0.00 N ATOM 80 CA LEU A 6 10.661 -9.536 -0.925 1.00 0.00 C ATOM 81 C LEU A 6 10.450 -8.034 -0.869 1.00 0.00 C ATOM 82 O LEU A 6 10.880 -7.374 0.079 1.00 0.00 O ATOM 83 CB LEU A 6 9.795 -10.322 0.079 1.00 0.00 C ATOM 84 CG LEU A 6 8.373 -9.755 0.335 1.00 0.00 C ATOM 85 CD1 LEU A 6 7.395 -10.899 0.597 1.00 0.00 C ATOM 86 CD2 LEU A 6 8.304 -8.828 1.558 1.00 0.00 C ATOM 0 H LEU A 6 12.269 -10.478 0.007 1.00 0.00 H new ATOM 0 HA LEU A 6 10.335 -9.893 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.698 -11.347 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.325 -10.365 1.031 1.00 0.00 H new ATOM 0 HG LEU A 6 8.116 -9.186 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.399 -10.493 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.367 -11.560 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.720 -11.462 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.284 -8.465 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.605 -9.379 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.975 -7.981 1.411 1.00 0.00 H new ATOM 98 N LYS A 7 9.871 -7.510 -1.943 1.00 0.00 N ATOM 99 CA LYS A 7 9.763 -6.084 -2.162 1.00 0.00 C ATOM 100 C LYS A 7 8.479 -5.550 -1.565 1.00 0.00 C ATOM 101 O LYS A 7 7.513 -6.285 -1.350 1.00 0.00 O ATOM 102 CB LYS A 7 9.833 -5.805 -3.670 1.00 0.00 C ATOM 103 CG LYS A 7 11.274 -5.462 -4.039 1.00 0.00 C ATOM 104 CD LYS A 7 11.595 -5.748 -5.510 1.00 0.00 C ATOM 105 CE LYS A 7 11.876 -7.225 -5.847 1.00 0.00 C ATOM 106 NZ LYS A 7 13.120 -7.750 -5.242 1.00 0.00 N ATOM 0 H LYS A 7 9.462 -8.073 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 7 10.589 -5.573 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.497 -6.677 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.169 -4.981 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.456 -4.408 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.952 -6.034 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.759 -5.406 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.463 -5.155 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.035 -7.831 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.935 -7.336 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.398 -8.628 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.878 -7.045 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.959 -7.947 -4.233 1.00 0.00 H new ATOM 120 N PHE A 8 8.476 -4.238 -1.380 1.00 0.00 N ATOM 121 CA PHE A 8 7.374 -3.506 -0.762 1.00 0.00 C ATOM 122 C PHE A 8 7.065 -2.336 -1.682 1.00 0.00 C ATOM 123 O PHE A 8 7.786 -1.347 -1.637 1.00 0.00 O ATOM 124 CB PHE A 8 7.788 -3.039 0.650 1.00 0.00 C ATOM 125 CG PHE A 8 7.175 -3.810 1.789 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.619 -5.106 2.100 1.00 0.00 C ATOM 127 CD2 PHE A 8 6.157 -3.215 2.553 1.00 0.00 C ATOM 128 CE1 PHE A 8 7.033 -5.799 3.169 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.583 -3.904 3.630 1.00 0.00 C ATOM 130 CZ PHE A 8 6.029 -5.195 3.945 1.00 0.00 C ATOM 0 H PHE A 8 9.253 -3.639 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 8 6.485 -4.125 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.873 -3.103 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.521 -1.988 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.406 -5.565 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.815 -2.220 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.356 -6.804 3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.801 -3.442 4.214 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.601 -5.725 4.783 1.00 0.00 H new ATOM 140 N LEU A 9 6.100 -2.442 -2.592 1.00 0.00 N ATOM 141 CA LEU A 9 5.876 -1.338 -3.523 1.00 0.00 C ATOM 142 C LEU A 9 5.300 -0.138 -2.764 1.00 0.00 C ATOM 143 O LEU A 9 4.430 -0.339 -1.917 1.00 0.00 O ATOM 144 CB LEU A 9 4.951 -1.769 -4.668 1.00 0.00 C ATOM 145 CG LEU A 9 5.002 -0.757 -5.826 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.373 -0.704 -6.505 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.972 -1.106 -6.888 1.00 0.00 C ATOM 0 H LEU A 9 5.483 -3.246 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 9 6.827 -1.046 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.246 -2.755 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.928 -1.857 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 9 4.791 0.216 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.350 0.026 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.129 -0.414 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.617 -1.686 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.024 -0.379 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.177 -2.102 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.975 -1.088 -6.448 1.00 0.00 H new ATOM 159 N VAL A 10 5.756 1.080 -3.075 1.00 0.00 N ATOM 160 CA VAL A 10 5.269 2.325 -2.490 1.00 0.00 C ATOM 161 C VAL A 10 4.991 3.307 -3.633 1.00 0.00 C ATOM 162 O VAL A 10 5.920 3.694 -4.346 1.00 0.00 O ATOM 163 CB VAL A 10 6.278 2.900 -1.473 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.575 3.928 -0.573 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.848 1.831 -0.520 1.00 0.00 C ATOM 0 H VAL A 10 6.496 1.227 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 10 4.350 2.142 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 10 7.084 3.332 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.289 4.332 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.178 4.737 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.758 3.444 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.551 2.297 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.034 1.375 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.363 1.064 -1.099 1.00 0.00 H new ATOM 175 N VAL A 11 3.729 3.698 -3.829 1.00 0.00 N ATOM 176 CA VAL A 11 3.298 4.577 -4.919 1.00 0.00 C ATOM 177 C VAL A 11 2.437 5.692 -4.322 1.00 0.00 C ATOM 178 O VAL A 11 1.208 5.634 -4.361 1.00 0.00 O ATOM 179 CB VAL A 11 2.584 3.775 -6.036 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.581 4.589 -7.330 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.249 2.417 -6.302 1.00 0.00 C ATOM 0 H VAL A 11 2.963 3.406 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 11 4.158 5.036 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 11 1.566 3.586 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.078 4.023 -8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.055 5.530 -7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.608 4.795 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.709 1.896 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.283 2.572 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.227 1.817 -5.392 1.00 0.00 H new ATOM 191 N ASP A 12 3.073 6.676 -3.686 1.00 0.00 N ATOM 192 CA ASP A 12 2.371 7.795 -3.061 1.00 0.00 C ATOM 193 C ASP A 12 2.127 8.928 -4.061 1.00 0.00 C ATOM 194 O ASP A 12 2.815 9.059 -5.078 1.00 0.00 O ATOM 195 CB ASP A 12 3.117 8.311 -1.820 1.00 0.00 C ATOM 196 CG ASP A 12 4.286 9.232 -2.157 1.00 0.00 C ATOM 197 OD1 ASP A 12 5.045 8.905 -3.089 1.00 0.00 O ATOM 198 OD2 ASP A 12 4.483 10.248 -1.457 1.00 0.00 O ATOM 0 H ASP A 12 4.088 6.719 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 12 1.401 7.422 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.416 8.845 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.487 7.460 -1.248 1.00 0.00 H new ATOM 203 N ASP A 13 1.159 9.782 -3.729 1.00 0.00 N ATOM 204 CA ASP A 13 0.796 10.977 -4.484 1.00 0.00 C ATOM 205 C ASP A 13 1.951 11.980 -4.522 1.00 0.00 C ATOM 206 O ASP A 13 2.175 12.626 -5.546 1.00 0.00 O ATOM 207 CB ASP A 13 -0.434 11.624 -3.818 1.00 0.00 C ATOM 208 CG ASP A 13 -0.491 13.136 -4.035 1.00 0.00 C ATOM 209 OD1 ASP A 13 -0.983 13.606 -5.086 1.00 0.00 O ATOM 210 OD2 ASP A 13 0.013 13.881 -3.171 1.00 0.00 O ATOM 0 H ASP A 13 0.586 9.654 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 13 0.568 10.692 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.340 11.169 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.416 11.414 -2.749 1.00 0.00 H new ATOM 215 N PHE A 14 2.648 12.142 -3.400 1.00 0.00 N ATOM 216 CA PHE A 14 3.449 13.323 -3.139 1.00 0.00 C ATOM 217 C PHE A 14 4.874 13.128 -3.653 1.00 0.00 C ATOM 218 O PHE A 14 5.305 13.852 -4.550 1.00 0.00 O ATOM 219 CB PHE A 14 3.371 13.618 -1.631 1.00 0.00 C ATOM 220 CG PHE A 14 4.013 14.886 -1.091 1.00 0.00 C ATOM 221 CD1 PHE A 14 4.543 15.896 -1.920 1.00 0.00 C ATOM 222 CD2 PHE A 14 4.032 15.071 0.302 1.00 0.00 C ATOM 223 CE1 PHE A 14 5.090 17.059 -1.347 1.00 0.00 C ATOM 224 CE2 PHE A 14 4.558 16.237 0.874 1.00 0.00 C ATOM 225 CZ PHE A 14 5.086 17.236 0.047 1.00 0.00 C ATOM 0 H PHE A 14 2.670 11.453 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 14 3.067 14.191 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.317 13.640 -1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.820 12.774 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.529 15.777 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.633 14.299 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.516 17.821 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.556 16.364 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.489 18.140 0.479 1.00 0.00 H new ATOM 235 N SER A 15 5.592 12.167 -3.074 1.00 0.00 N ATOM 236 CA SER A 15 7.024 11.890 -3.007 1.00 0.00 C ATOM 237 C SER A 15 7.376 11.728 -1.528 1.00 0.00 C ATOM 238 O SER A 15 7.869 10.681 -1.109 1.00 0.00 O ATOM 239 CB SER A 15 7.912 12.964 -3.652 1.00 0.00 C ATOM 240 OG SER A 15 7.745 12.952 -5.056 1.00 0.00 O ATOM 0 H SER A 15 5.092 11.445 -2.554 1.00 0.00 H new ATOM 0 HA SER A 15 7.223 10.987 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.655 13.946 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.957 12.782 -3.400 1.00 0.00 H new ATOM 0 HG SER A 15 6.843 13.262 -5.281 1.00 0.00 H new ATOM 246 N THR A 16 7.135 12.755 -0.715 1.00 0.00 N ATOM 247 CA THR A 16 7.543 12.760 0.678 1.00 0.00 C ATOM 248 C THR A 16 6.799 11.693 1.493 1.00 0.00 C ATOM 249 O THR A 16 7.423 11.078 2.361 1.00 0.00 O ATOM 250 CB THR A 16 7.334 14.179 1.211 1.00 0.00 C ATOM 251 OG1 THR A 16 8.083 15.087 0.415 1.00 0.00 O ATOM 252 CG2 THR A 16 7.688 14.330 2.684 1.00 0.00 C ATOM 0 H THR A 16 6.651 13.604 -1.009 1.00 0.00 H new ATOM 0 HA THR A 16 8.596 12.493 0.772 1.00 0.00 H new ATOM 0 HB THR A 16 6.270 14.404 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.953 15.999 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.516 15.360 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.064 13.662 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.737 14.076 2.834 1.00 0.00 H new ATOM 260 N MET A 17 5.528 11.378 1.194 1.00 0.00 N ATOM 261 CA MET A 17 4.848 10.281 1.868 1.00 0.00 C ATOM 262 C MET A 17 5.572 8.962 1.593 1.00 0.00 C ATOM 263 O MET A 17 5.547 8.084 2.454 1.00 0.00 O ATOM 264 CB MET A 17 3.367 10.186 1.451 1.00 0.00 C ATOM 265 CG MET A 17 2.425 10.806 2.479 1.00 0.00 C ATOM 266 SD MET A 17 2.287 12.597 2.351 1.00 0.00 S ATOM 267 CE MET A 17 1.118 12.736 0.966 1.00 0.00 C ATOM 0 H MET A 17 4.964 11.866 0.498 1.00 0.00 H new ATOM 0 HA MET A 17 4.872 10.481 2.939 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.231 10.686 0.492 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.101 9.139 1.306 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.435 10.365 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.773 10.548 3.479 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.074 13.772 0.630 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.450 12.102 0.144 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.128 12.418 1.292 1.00 0.00 H new ATOM 277 N ARG A 18 6.276 8.820 0.463 1.00 0.00 N ATOM 278 CA ARG A 18 7.085 7.641 0.184 1.00 0.00 C ATOM 279 C ARG A 18 8.198 7.538 1.201 1.00 0.00 C ATOM 280 O ARG A 18 8.416 6.469 1.757 1.00 0.00 O ATOM 281 CB ARG A 18 7.679 7.757 -1.220 1.00 0.00 C ATOM 282 CG ARG A 18 7.764 6.426 -1.959 1.00 0.00 C ATOM 283 CD ARG A 18 8.161 6.672 -3.411 1.00 0.00 C ATOM 284 NE ARG A 18 7.158 7.506 -4.086 1.00 0.00 N ATOM 285 CZ ARG A 18 7.216 8.146 -5.250 1.00 0.00 C ATOM 286 NH1 ARG A 18 8.280 8.058 -6.031 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.180 8.899 -5.587 1.00 0.00 N ATOM 0 H ARG A 18 6.297 9.521 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 18 6.462 6.748 0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.074 8.450 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.678 8.188 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.495 5.777 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.803 5.912 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.134 7.161 -3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.261 5.720 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 18 6.277 7.611 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.078 7.491 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.303 8.558 -6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.377 8.971 -4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.185 9.407 -6.472 1.00 0.00 H new ATOM 301 N ARG A 19 8.900 8.650 1.437 1.00 0.00 N ATOM 302 CA ARG A 19 10.004 8.705 2.380 1.00 0.00 C ATOM 303 C ARG A 19 9.520 8.304 3.760 1.00 0.00 C ATOM 304 O ARG A 19 10.146 7.444 4.381 1.00 0.00 O ATOM 305 CB ARG A 19 10.649 10.107 2.383 1.00 0.00 C ATOM 306 CG ARG A 19 12.165 9.987 2.232 1.00 0.00 C ATOM 307 CD ARG A 19 12.532 9.626 0.786 1.00 0.00 C ATOM 308 NE ARG A 19 13.909 9.136 0.658 1.00 0.00 N ATOM 309 CZ ARG A 19 15.034 9.855 0.712 1.00 0.00 C ATOM 310 NH1 ARG A 19 15.009 11.131 1.083 1.00 0.00 N ATOM 311 NH2 ARG A 19 16.183 9.285 0.366 1.00 0.00 N ATOM 0 H ARG A 19 8.712 9.539 0.973 1.00 0.00 H new ATOM 0 HA ARG A 19 10.775 7.998 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.241 10.706 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.408 10.625 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.640 10.928 2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.545 9.224 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.844 8.864 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.402 10.503 0.152 1.00 0.00 H new ATOM 0 HE ARG A 19 14.020 8.133 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.124 11.573 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.875 11.668 1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.198 8.311 0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.050 9.822 0.402 1.00 0.00 H new ATOM 325 N ILE A 20 8.401 8.891 4.200 1.00 0.00 N ATOM 326 CA ILE A 20 7.758 8.534 5.451 1.00 0.00 C ATOM 327 C ILE A 20 7.519 7.024 5.429 1.00 0.00 C ATOM 328 O ILE A 20 8.179 6.327 6.190 1.00 0.00 O ATOM 329 CB ILE A 20 6.507 9.410 5.731 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.903 10.733 6.431 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.486 8.715 6.655 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.732 11.706 5.587 1.00 0.00 C ATOM 0 H ILE A 20 7.920 9.631 3.688 1.00 0.00 H new ATOM 0 HA ILE A 20 8.396 8.752 6.307 1.00 0.00 H new ATOM 0 HB ILE A 20 6.059 9.590 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.993 11.241 6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.466 10.492 7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.633 9.374 6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.147 7.789 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.956 8.490 7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.954 12.598 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.664 11.226 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.168 11.987 4.697 1.00 0.00 H new ATOM 344 N VAL A 21 6.623 6.510 4.577 1.00 0.00 N ATOM 345 CA VAL A 21 6.192 5.109 4.554 1.00 0.00 C ATOM 346 C VAL A 21 7.394 4.159 4.536 1.00 0.00 C ATOM 347 O VAL A 21 7.437 3.228 5.340 1.00 0.00 O ATOM 348 CB VAL A 21 5.213 4.878 3.377 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.893 3.396 3.138 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.876 5.586 3.658 1.00 0.00 C ATOM 0 H VAL A 21 6.165 7.076 3.863 1.00 0.00 H new ATOM 0 HA VAL A 21 5.650 4.883 5.472 1.00 0.00 H new ATOM 0 HB VAL A 21 5.712 5.278 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.202 3.303 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.813 2.857 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.436 2.973 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.193 5.418 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.438 5.186 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.049 6.656 3.776 1.00 0.00 H new ATOM 360 N ARG A 22 8.389 4.407 3.679 1.00 0.00 N ATOM 361 CA ARG A 22 9.616 3.619 3.600 1.00 0.00 C ATOM 362 C ARG A 22 10.279 3.535 4.965 1.00 0.00 C ATOM 363 O ARG A 22 10.629 2.442 5.416 1.00 0.00 O ATOM 364 CB ARG A 22 10.549 4.244 2.549 1.00 0.00 C ATOM 365 CG ARG A 22 11.735 3.349 2.179 1.00 0.00 C ATOM 366 CD ARG A 22 13.020 3.499 2.983 1.00 0.00 C ATOM 367 NE ARG A 22 14.012 2.565 2.431 1.00 0.00 N ATOM 368 CZ ARG A 22 15.147 2.159 2.992 1.00 0.00 C ATOM 369 NH1 ARG A 22 15.552 2.631 4.168 1.00 0.00 N ATOM 370 NH2 ARG A 22 15.858 1.245 2.348 1.00 0.00 N ATOM 0 H ARG A 22 8.361 5.176 3.010 1.00 0.00 H new ATOM 0 HA ARG A 22 9.384 2.599 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.975 4.464 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.925 5.195 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.409 2.312 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.974 3.527 1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.388 4.523 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.838 3.284 4.036 1.00 0.00 H new ATOM 0 HE ARG A 22 13.805 2.183 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.987 3.322 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.427 2.302 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.529 0.879 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.735 0.908 2.745 1.00 0.00 H new ATOM 384 N ASN A 23 10.469 4.682 5.616 1.00 0.00 N ATOM 385 CA ASN A 23 11.070 4.710 6.935 1.00 0.00 C ATOM 386 C ASN A 23 10.182 4.020 7.960 1.00 0.00 C ATOM 387 O ASN A 23 10.701 3.247 8.751 1.00 0.00 O ATOM 388 CB ASN A 23 11.385 6.141 7.369 1.00 0.00 C ATOM 389 CG ASN A 23 12.460 6.117 8.445 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.612 5.805 8.149 1.00 0.00 O ATOM 391 ND2 ASN A 23 12.145 6.438 9.687 1.00 0.00 N ATOM 0 H ASN A 23 10.214 5.598 5.247 1.00 0.00 H new ATOM 0 HA ASN A 23 12.009 4.160 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.724 6.726 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.485 6.624 7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.861 6.429 10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.186 6.695 9.920 1.00 0.00 H new ATOM 398 N LEU A 24 8.862 4.255 7.947 1.00 0.00 N ATOM 399 CA LEU A 24 7.920 3.631 8.881 1.00 0.00 C ATOM 400 C LEU A 24 8.055 2.114 8.816 1.00 0.00 C ATOM 401 O LEU A 24 8.061 1.448 9.846 1.00 0.00 O ATOM 402 CB LEU A 24 6.445 3.999 8.602 1.00 0.00 C ATOM 403 CG LEU A 24 6.072 5.491 8.563 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.558 5.670 8.447 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.663 6.281 9.733 1.00 0.00 C ATOM 0 H LEU A 24 8.417 4.888 7.282 1.00 0.00 H new ATOM 0 HA LEU A 24 8.176 4.012 9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.166 3.559 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.831 3.520 9.364 1.00 0.00 H new ATOM 0 HG LEU A 24 6.526 5.914 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.318 6.733 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.205 5.196 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.070 5.209 9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.366 7.327 9.653 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.294 5.870 10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.750 6.209 9.708 1.00 0.00 H new ATOM 417 N LEU A 25 8.165 1.568 7.608 1.00 0.00 N ATOM 418 CA LEU A 25 8.325 0.141 7.390 1.00 0.00 C ATOM 419 C LEU A 25 9.656 -0.337 7.944 1.00 0.00 C ATOM 420 O LEU A 25 9.660 -1.309 8.699 1.00 0.00 O ATOM 421 CB LEU A 25 8.171 -0.169 5.900 1.00 0.00 C ATOM 422 CG LEU A 25 6.678 -0.114 5.529 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.490 0.221 4.054 1.00 0.00 C ATOM 424 CD2 LEU A 25 5.996 -1.441 5.874 1.00 0.00 C ATOM 0 H LEU A 25 8.145 2.113 6.746 1.00 0.00 H new ATOM 0 HA LEU A 25 7.547 -0.403 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.734 0.551 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.579 -1.155 5.676 1.00 0.00 H new ATOM 0 HG LEU A 25 6.211 0.680 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.426 0.253 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.937 1.192 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.972 -0.542 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.941 -1.388 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.471 -2.250 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.090 -1.631 6.943 1.00 0.00 H new ATOM 436 N LYS A 26 10.768 0.340 7.631 1.00 0.00 N ATOM 437 CA LYS A 26 12.063 -0.092 8.156 1.00 0.00 C ATOM 438 C LYS A 26 12.146 0.028 9.674 1.00 0.00 C ATOM 439 O LYS A 26 12.757 -0.843 10.292 1.00 0.00 O ATOM 440 CB LYS A 26 13.237 0.601 7.446 1.00 0.00 C ATOM 441 CG LYS A 26 13.830 -0.250 6.304 1.00 0.00 C ATOM 442 CD LYS A 26 14.820 -1.344 6.762 1.00 0.00 C ATOM 443 CE LYS A 26 14.163 -2.532 7.481 1.00 0.00 C ATOM 444 NZ LYS A 26 15.128 -3.577 7.876 1.00 0.00 N ATOM 0 H LYS A 26 10.797 1.166 7.033 1.00 0.00 H new ATOM 0 HA LYS A 26 12.150 -1.155 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.900 1.556 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.018 0.819 8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.013 -0.723 5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.339 0.411 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.361 -1.715 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.557 -0.895 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.645 -2.170 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.408 -2.971 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.614 -4.438 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.756 -3.790 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.695 -3.240 8.680 1.00 0.00 H new ATOM 458 N GLU A 27 11.502 1.019 10.290 1.00 0.00 N ATOM 459 CA GLU A 27 11.375 1.130 11.744 1.00 0.00 C ATOM 460 C GLU A 27 10.688 -0.106 12.328 1.00 0.00 C ATOM 461 O GLU A 27 10.992 -0.520 13.448 1.00 0.00 O ATOM 462 CB GLU A 27 10.553 2.377 12.110 1.00 0.00 C ATOM 463 CG GLU A 27 11.291 3.692 11.860 1.00 0.00 C ATOM 464 CD GLU A 27 12.352 3.935 12.919 1.00 0.00 C ATOM 465 OE1 GLU A 27 13.507 3.485 12.731 1.00 0.00 O ATOM 466 OE2 GLU A 27 12.056 4.609 13.931 1.00 0.00 O ATOM 0 H GLU A 27 11.047 1.779 9.785 1.00 0.00 H new ATOM 0 HA GLU A 27 12.378 1.211 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.628 2.374 11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.273 2.321 13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.756 3.670 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.579 4.517 11.858 1.00 0.00 H new ATOM 473 N LEU A 28 9.797 -0.724 11.558 1.00 0.00 N ATOM 474 CA LEU A 28 9.020 -1.903 11.916 1.00 0.00 C ATOM 475 C LEU A 28 9.623 -3.181 11.322 1.00 0.00 C ATOM 476 O LEU A 28 8.985 -4.236 11.363 1.00 0.00 O ATOM 477 CB LEU A 28 7.561 -1.679 11.483 1.00 0.00 C ATOM 478 CG LEU A 28 6.916 -0.477 12.206 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.599 -0.119 11.520 1.00 0.00 C ATOM 480 CD2 LEU A 28 6.696 -0.767 13.693 1.00 0.00 C ATOM 0 H LEU A 28 9.587 -0.396 10.615 1.00 0.00 H new ATOM 0 HA LEU A 28 9.046 -2.046 12.996 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.525 -1.515 10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.981 -2.578 11.688 1.00 0.00 H new ATOM 0 HG LEU A 28 7.597 0.372 12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.142 0.730 12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.790 0.143 10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.923 -0.973 11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.241 0.101 14.169 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.037 -1.628 13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.654 -0.981 14.168 1.00 0.00 H new ATOM 492 N GLY A 29 10.849 -3.112 10.803 1.00 0.00 N ATOM 493 CA GLY A 29 11.647 -4.244 10.362 1.00 0.00 C ATOM 494 C GLY A 29 11.495 -4.547 8.875 1.00 0.00 C ATOM 495 O GLY A 29 12.480 -4.941 8.250 1.00 0.00 O ATOM 0 H GLY A 29 11.330 -2.222 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.697 -4.047 10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.363 -5.126 10.936 1.00 0.00 H new ATOM 499 N PHE A 30 10.315 -4.333 8.290 1.00 0.00 N ATOM 500 CA PHE A 30 10.063 -4.627 6.882 1.00 0.00 C ATOM 501 C PHE A 30 10.977 -3.795 5.987 1.00 0.00 C ATOM 502 O PHE A 30 11.233 -2.622 6.260 1.00 0.00 O ATOM 503 CB PHE A 30 8.590 -4.384 6.538 1.00 0.00 C ATOM 504 CG PHE A 30 7.690 -5.560 6.857 1.00 0.00 C ATOM 505 CD1 PHE A 30 7.830 -6.755 6.125 1.00 0.00 C ATOM 506 CD2 PHE A 30 6.678 -5.456 7.827 1.00 0.00 C ATOM 507 CE1 PHE A 30 6.924 -7.811 6.308 1.00 0.00 C ATOM 508 CE2 PHE A 30 5.797 -6.532 8.039 1.00 0.00 C ATOM 509 CZ PHE A 30 5.908 -7.705 7.272 1.00 0.00 C ATOM 0 H PHE A 30 9.507 -3.950 8.782 1.00 0.00 H new ATOM 0 HA PHE A 30 10.284 -5.679 6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.238 -3.509 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.507 -4.152 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.640 -6.859 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.577 -4.552 8.409 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.008 -8.705 5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.030 -6.457 8.796 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.216 -8.520 7.423 1.00 0.00 H new ATOM 519 N ASN A 31 11.491 -4.401 4.918 1.00 0.00 N ATOM 520 CA ASN A 31 12.564 -3.847 4.106 1.00 0.00 C ATOM 521 C ASN A 31 12.276 -4.011 2.614 1.00 0.00 C ATOM 522 O ASN A 31 11.288 -4.613 2.203 1.00 0.00 O ATOM 523 CB ASN A 31 13.923 -4.469 4.522 1.00 0.00 C ATOM 524 CG ASN A 31 14.497 -5.486 3.533 1.00 0.00 C ATOM 525 OD1 ASN A 31 15.523 -5.237 2.900 1.00 0.00 O ATOM 526 ND2 ASN A 31 13.840 -6.613 3.339 1.00 0.00 N ATOM 0 H ASN A 31 11.164 -5.309 4.589 1.00 0.00 H new ATOM 0 HA ASN A 31 12.624 -2.774 4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.648 -3.666 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.802 -4.954 5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.181 -7.291 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.991 -6.806 3.870 1.00 0.00 H new ATOM 533 N ASN A 32 13.197 -3.476 1.820 1.00 0.00 N ATOM 534 CA ASN A 32 13.351 -3.616 0.383 1.00 0.00 C ATOM 535 C ASN A 32 12.242 -2.955 -0.411 1.00 0.00 C ATOM 536 O ASN A 32 11.833 -3.436 -1.470 1.00 0.00 O ATOM 537 CB ASN A 32 13.655 -5.048 -0.093 1.00 0.00 C ATOM 538 CG ASN A 32 14.540 -4.993 -1.336 1.00 0.00 C ATOM 539 OD1 ASN A 32 15.396 -4.119 -1.463 1.00 0.00 O ATOM 540 ND2 ASN A 32 14.360 -5.891 -2.284 1.00 0.00 N ATOM 0 H ASN A 32 13.924 -2.875 2.209 1.00 0.00 H new ATOM 0 HA ASN A 32 14.258 -3.053 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.155 -5.607 0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.727 -5.573 -0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.932 -5.863 -3.128 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.649 -6.614 -2.174 1.00 0.00 H new ATOM 547 N VAL A 33 11.740 -1.842 0.112 1.00 0.00 N ATOM 548 CA VAL A 33 10.639 -1.144 -0.510 1.00 0.00 C ATOM 549 C VAL A 33 11.076 -0.601 -1.876 1.00 0.00 C ATOM 550 O VAL A 33 12.262 -0.363 -2.126 1.00 0.00 O ATOM 551 CB VAL A 33 9.977 -0.127 0.449 1.00 0.00 C ATOM 552 CG1 VAL A 33 10.265 -0.405 1.941 1.00 0.00 C ATOM 553 CG2 VAL A 33 10.324 1.317 0.095 1.00 0.00 C ATOM 0 H VAL A 33 12.085 -1.409 0.969 1.00 0.00 H new ATOM 0 HA VAL A 33 9.825 -1.838 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 33 8.906 -0.265 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.769 0.348 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.890 -1.393 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 33 11.340 -0.366 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.835 1.992 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.404 1.456 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.982 1.536 -0.916 1.00 0.00 H new ATOM 563 N GLU A 34 10.098 -0.414 -2.746 1.00 0.00 N ATOM 564 CA GLU A 34 10.190 -0.236 -4.175 1.00 0.00 C ATOM 565 C GLU A 34 9.250 0.901 -4.571 1.00 0.00 C ATOM 566 O GLU A 34 8.576 1.489 -3.717 1.00 0.00 O ATOM 567 CB GLU A 34 9.793 -1.565 -4.842 1.00 0.00 C ATOM 568 CG GLU A 34 10.897 -2.131 -5.735 1.00 0.00 C ATOM 569 CD GLU A 34 10.976 -1.454 -7.099 1.00 0.00 C ATOM 570 OE1 GLU A 34 11.258 -0.234 -7.141 1.00 0.00 O ATOM 571 OE2 GLU A 34 10.753 -2.154 -8.114 1.00 0.00 O ATOM 0 H GLU A 34 9.128 -0.381 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 34 11.199 0.025 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.546 -2.294 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.892 -1.413 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.856 -2.024 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.729 -3.199 -5.876 1.00 0.00 H new ATOM 578 N GLU A 35 9.197 1.232 -5.854 1.00 0.00 N ATOM 579 CA GLU A 35 8.608 2.470 -6.321 1.00 0.00 C ATOM 580 C GLU A 35 7.924 2.292 -7.675 1.00 0.00 C ATOM 581 O GLU A 35 8.362 1.467 -8.481 1.00 0.00 O ATOM 582 CB GLU A 35 9.773 3.450 -6.432 1.00 0.00 C ATOM 583 CG GLU A 35 9.277 4.876 -6.538 1.00 0.00 C ATOM 584 CD GLU A 35 10.462 5.828 -6.519 1.00 0.00 C ATOM 585 OE1 GLU A 35 11.229 5.886 -7.508 1.00 0.00 O ATOM 586 OE2 GLU A 35 10.607 6.578 -5.527 1.00 0.00 O ATOM 0 H GLU A 35 9.565 0.643 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 35 7.834 2.823 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.420 3.351 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.376 3.205 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.707 5.006 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.603 5.100 -5.711 1.00 0.00 H new ATOM 593 N ALA A 36 6.907 3.107 -7.953 1.00 0.00 N ATOM 594 CA ALA A 36 6.327 3.290 -9.275 1.00 0.00 C ATOM 595 C ALA A 36 5.931 4.761 -9.445 1.00 0.00 C ATOM 596 O ALA A 36 5.967 5.532 -8.482 1.00 0.00 O ATOM 597 CB ALA A 36 5.104 2.382 -9.435 1.00 0.00 C ATOM 0 H ALA A 36 6.452 3.675 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 36 7.055 3.023 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.673 2.523 -10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.405 1.341 -9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.362 2.635 -8.678 1.00 0.00 H new ATOM 603 N GLU A 37 5.524 5.141 -10.654 1.00 0.00 N ATOM 604 CA GLU A 37 4.933 6.438 -10.936 1.00 0.00 C ATOM 605 C GLU A 37 3.551 6.607 -10.305 1.00 0.00 C ATOM 606 O GLU A 37 3.245 7.673 -9.777 1.00 0.00 O ATOM 607 CB GLU A 37 4.696 6.614 -12.445 1.00 0.00 C ATOM 608 CG GLU A 37 5.942 6.663 -13.326 1.00 0.00 C ATOM 609 CD GLU A 37 5.721 7.723 -14.406 1.00 0.00 C ATOM 610 OE1 GLU A 37 5.967 8.918 -14.105 1.00 0.00 O ATOM 611 OE2 GLU A 37 5.201 7.392 -15.497 1.00 0.00 O ATOM 0 H GLU A 37 5.599 4.543 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 37 5.639 7.162 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.066 5.794 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.133 7.535 -12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.821 6.906 -12.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.125 5.689 -13.781 1.00 0.00 H new ATOM 618 N ASP A 38 2.702 5.597 -10.489 1.00 0.00 N ATOM 619 CA ASP A 38 1.240 5.651 -10.403 1.00 0.00 C ATOM 620 C ASP A 38 0.729 4.208 -10.411 1.00 0.00 C ATOM 621 O ASP A 38 1.507 3.309 -10.721 1.00 0.00 O ATOM 622 CB ASP A 38 0.749 6.379 -11.667 1.00 0.00 C ATOM 623 CG ASP A 38 -0.672 6.031 -12.104 1.00 0.00 C ATOM 624 OD1 ASP A 38 -1.640 6.309 -11.367 1.00 0.00 O ATOM 625 OD2 ASP A 38 -0.794 5.478 -13.216 1.00 0.00 O ATOM 0 H ASP A 38 3.036 4.660 -10.716 1.00 0.00 H new ATOM 0 HA ASP A 38 0.891 6.164 -9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.806 7.454 -11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.431 6.151 -12.487 1.00 0.00 H new ATOM 630 N GLY A 39 -0.545 3.961 -10.102 1.00 0.00 N ATOM 631 CA GLY A 39 -1.163 2.644 -10.150 1.00 0.00 C ATOM 632 C GLY A 39 -0.930 1.873 -11.456 1.00 0.00 C ATOM 633 O GLY A 39 -0.723 0.662 -11.387 1.00 0.00 O ATOM 0 H GLY A 39 -1.189 4.694 -9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.783 2.049 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.236 2.756 -9.997 1.00 0.00 H new ATOM 637 N VAL A 40 -0.927 2.510 -12.636 1.00 0.00 N ATOM 638 CA VAL A 40 -0.691 1.777 -13.884 1.00 0.00 C ATOM 639 C VAL A 40 0.731 1.201 -13.821 1.00 0.00 C ATOM 640 O VAL A 40 0.947 -0.004 -13.978 1.00 0.00 O ATOM 641 CB VAL A 40 -0.906 2.685 -15.120 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.791 1.867 -16.415 1.00 0.00 C ATOM 643 CG2 VAL A 40 -2.279 3.384 -15.151 1.00 0.00 C ATOM 0 H VAL A 40 -1.082 3.512 -12.750 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.408 0.963 -13.992 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.130 3.447 -15.045 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.945 2.521 -17.273 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.200 1.417 -16.474 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.547 1.081 -16.417 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.353 4.001 -16.046 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.069 2.633 -15.162 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.387 4.012 -14.267 1.00 0.00 H new ATOM 653 N ASP A 41 1.697 2.067 -13.507 1.00 0.00 N ATOM 654 CA ASP A 41 3.100 1.705 -13.367 1.00 0.00 C ATOM 655 C ASP A 41 3.298 0.725 -12.198 1.00 0.00 C ATOM 656 O ASP A 41 4.191 -0.123 -12.249 1.00 0.00 O ATOM 657 CB ASP A 41 3.930 2.987 -13.210 1.00 0.00 C ATOM 658 CG ASP A 41 5.430 2.740 -13.362 1.00 0.00 C ATOM 659 OD1 ASP A 41 5.871 2.259 -14.429 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.210 3.040 -12.432 1.00 0.00 O ATOM 0 H ASP A 41 1.517 3.057 -13.341 1.00 0.00 H new ATOM 0 HA ASP A 41 3.444 1.184 -14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.609 3.716 -13.954 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.735 3.424 -12.230 1.00 0.00 H new ATOM 665 N ALA A 42 2.443 0.780 -11.171 1.00 0.00 N ATOM 666 CA ALA A 42 2.447 -0.090 -10.015 1.00 0.00 C ATOM 667 C ALA A 42 2.030 -1.502 -10.384 1.00 0.00 C ATOM 668 O ALA A 42 2.605 -2.458 -9.868 1.00 0.00 O ATOM 669 CB ALA A 42 1.473 0.444 -8.957 1.00 0.00 C ATOM 0 H ALA A 42 1.695 1.472 -11.133 1.00 0.00 H new ATOM 0 HA ALA A 42 3.464 -0.111 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.481 -0.216 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.778 1.446 -8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.467 0.482 -9.375 1.00 0.00 H new ATOM 675 N LEU A 43 0.996 -1.657 -11.215 1.00 0.00 N ATOM 676 CA LEU A 43 0.553 -2.968 -11.673 1.00 0.00 C ATOM 677 C LEU A 43 1.654 -3.579 -12.536 1.00 0.00 C ATOM 678 O LEU A 43 2.007 -4.743 -12.344 1.00 0.00 O ATOM 679 CB LEU A 43 -0.768 -2.850 -12.448 1.00 0.00 C ATOM 680 CG LEU A 43 -1.457 -4.223 -12.578 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.256 -4.572 -11.316 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.380 -4.234 -13.798 1.00 0.00 C ATOM 0 H LEU A 43 0.448 -0.880 -11.585 1.00 0.00 H new ATOM 0 HA LEU A 43 0.366 -3.619 -10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.432 -2.153 -11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.577 -2.440 -13.440 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.679 -4.976 -12.704 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.728 -5.546 -11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.585 -4.603 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.023 -3.816 -11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.862 -5.208 -13.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.141 -3.461 -13.686 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.796 -4.040 -14.698 1.00 0.00 H new ATOM 694 N ASN A 44 2.240 -2.764 -13.421 1.00 0.00 N ATOM 695 CA ASN A 44 3.385 -3.136 -14.243 1.00 0.00 C ATOM 696 C ASN A 44 4.559 -3.601 -13.374 1.00 0.00 C ATOM 697 O ASN A 44 5.231 -4.561 -13.749 1.00 0.00 O ATOM 698 CB ASN A 44 3.815 -1.964 -15.145 1.00 0.00 C ATOM 699 CG ASN A 44 3.008 -1.790 -16.424 1.00 0.00 C ATOM 700 OD1 ASN A 44 1.958 -2.391 -16.623 1.00 0.00 O ATOM 701 ND2 ASN A 44 3.482 -0.953 -17.330 1.00 0.00 N ATOM 0 H ASN A 44 1.921 -1.809 -13.585 1.00 0.00 H new ATOM 0 HA ASN A 44 3.082 -3.968 -14.879 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.751 -1.042 -14.568 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.863 -2.100 -15.413 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.974 -0.803 -18.202 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.356 -0.456 -17.158 1.00 0.00 H new ATOM 708 N LYS A 45 4.824 -2.957 -12.226 1.00 0.00 N ATOM 709 CA LYS A 45 5.796 -3.446 -11.238 1.00 0.00 C ATOM 710 C LYS A 45 5.350 -4.807 -10.727 1.00 0.00 C ATOM 711 O LYS A 45 6.077 -5.787 -10.866 1.00 0.00 O ATOM 712 CB LYS A 45 5.978 -2.456 -10.060 1.00 0.00 C ATOM 713 CG LYS A 45 7.305 -1.687 -10.089 1.00 0.00 C ATOM 714 CD LYS A 45 7.406 -0.768 -11.299 1.00 0.00 C ATOM 715 CE LYS A 45 8.741 -0.033 -11.311 1.00 0.00 C ATOM 716 NZ LYS A 45 8.966 0.681 -12.581 1.00 0.00 N ATOM 0 H LYS A 45 4.370 -2.084 -11.958 1.00 0.00 H new ATOM 0 HA LYS A 45 6.765 -3.535 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.155 -1.741 -10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.910 -3.007 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.402 -1.098 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.134 -2.395 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.298 -1.351 -12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.589 -0.047 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.771 0.678 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.549 -0.746 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.885 1.167 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.963 0.000 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.209 1.380 -12.725 1.00 0.00 H new ATOM 730 N LEU A 46 4.175 -4.862 -10.099 1.00 0.00 N ATOM 731 CA LEU A 46 3.726 -6.014 -9.341 1.00 0.00 C ATOM 732 C LEU A 46 3.824 -7.311 -10.121 1.00 0.00 C ATOM 733 O LEU A 46 4.389 -8.288 -9.619 1.00 0.00 O ATOM 734 CB LEU A 46 2.287 -5.790 -8.831 1.00 0.00 C ATOM 735 CG LEU A 46 2.214 -5.696 -7.303 1.00 0.00 C ATOM 736 CD1 LEU A 46 2.659 -7.021 -6.695 1.00 0.00 C ATOM 737 CD2 LEU A 46 3.043 -4.525 -6.764 1.00 0.00 C ATOM 0 H LEU A 46 3.504 -4.093 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 46 4.399 -6.116 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.889 -4.874 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.653 -6.608 -9.172 1.00 0.00 H new ATOM 0 HG LEU A 46 1.181 -5.501 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.608 -6.958 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.004 -7.819 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.684 -7.235 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.965 -4.493 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.087 -4.657 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.668 -3.591 -7.182 1.00 0.00 H new ATOM 749 N GLN A 47 3.295 -7.307 -11.344 1.00 0.00 N ATOM 750 CA GLN A 47 3.199 -8.505 -12.161 1.00 0.00 C ATOM 751 C GLN A 47 4.560 -9.026 -12.641 1.00 0.00 C ATOM 752 O GLN A 47 4.602 -10.055 -13.316 1.00 0.00 O ATOM 753 CB GLN A 47 2.202 -8.267 -13.307 1.00 0.00 C ATOM 754 CG GLN A 47 2.696 -7.327 -14.421 1.00 0.00 C ATOM 755 CD GLN A 47 1.597 -6.917 -15.406 1.00 0.00 C ATOM 756 OE1 GLN A 47 1.629 -5.818 -15.956 1.00 0.00 O ATOM 757 NE2 GLN A 47 0.627 -7.774 -15.690 1.00 0.00 N ATOM 0 H GLN A 47 2.922 -6.470 -11.792 1.00 0.00 H new ATOM 0 HA GLN A 47 2.815 -9.311 -11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.948 -9.229 -13.752 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.283 -7.857 -12.888 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.120 -6.431 -13.968 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.500 -7.818 -14.970 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.602 -8.685 -15.233 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.094 -7.522 -16.366 1.00 0.00 H new ATOM 766 N ALA A 48 5.673 -8.349 -12.344 1.00 0.00 N ATOM 767 CA ALA A 48 7.011 -8.850 -12.630 1.00 0.00 C ATOM 768 C ALA A 48 7.516 -9.845 -11.576 1.00 0.00 C ATOM 769 O ALA A 48 8.555 -10.475 -11.811 1.00 0.00 O ATOM 770 CB ALA A 48 7.987 -7.675 -12.730 1.00 0.00 C ATOM 0 H ALA A 48 5.666 -7.433 -11.896 1.00 0.00 H new ATOM 0 HA ALA A 48 6.955 -9.387 -13.577 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.988 -8.050 -12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.671 -7.007 -13.531 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.998 -7.130 -11.786 1.00 0.00 H new ATOM 776 N GLY A 49 6.853 -9.995 -10.418 1.00 0.00 N ATOM 777 CA GLY A 49 7.429 -10.850 -9.386 1.00 0.00 C ATOM 778 C GLY A 49 6.739 -10.950 -8.036 1.00 0.00 C ATOM 779 O GLY A 49 7.324 -11.583 -7.157 1.00 0.00 O ATOM 0 H GLY A 49 5.962 -9.557 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.497 -11.858 -9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.449 -10.509 -9.209 1.00 0.00 H new ATOM 783 N GLY A 50 5.560 -10.359 -7.830 1.00 0.00 N ATOM 784 CA GLY A 50 4.857 -10.495 -6.561 1.00 0.00 C ATOM 785 C GLY A 50 5.625 -9.787 -5.450 1.00 0.00 C ATOM 786 O GLY A 50 6.296 -10.398 -4.612 1.00 0.00 O ATOM 0 H GLY A 50 5.078 -9.786 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.856 -10.073 -6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.739 -11.550 -6.315 1.00 0.00 H new ATOM 790 N TYR A 51 5.553 -8.462 -5.495 1.00 0.00 N ATOM 791 CA TYR A 51 5.982 -7.554 -4.453 1.00 0.00 C ATOM 792 C TYR A 51 5.032 -7.826 -3.295 1.00 0.00 C ATOM 793 O TYR A 51 3.848 -7.532 -3.421 1.00 0.00 O ATOM 794 CB TYR A 51 5.869 -6.100 -4.936 1.00 0.00 C ATOM 795 CG TYR A 51 6.786 -5.649 -6.072 1.00 0.00 C ATOM 796 CD1 TYR A 51 6.975 -6.396 -7.261 1.00 0.00 C ATOM 797 CD2 TYR A 51 7.411 -4.396 -5.957 1.00 0.00 C ATOM 798 CE1 TYR A 51 7.865 -5.950 -8.256 1.00 0.00 C ATOM 799 CE2 TYR A 51 8.240 -3.922 -6.982 1.00 0.00 C ATOM 800 CZ TYR A 51 8.519 -4.713 -8.108 1.00 0.00 C ATOM 801 OH TYR A 51 9.409 -4.269 -9.034 1.00 0.00 O ATOM 0 H TYR A 51 5.173 -7.972 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 51 7.023 -7.701 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.839 -5.932 -5.251 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.051 -5.449 -4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.430 -7.317 -7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.252 -3.795 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.046 -6.556 -9.131 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.670 -2.934 -6.905 1.00 0.00 H new ATOM 0 HH TYR A 51 9.816 -3.434 -8.722 1.00 0.00 H new ATOM 811 N GLY A 52 5.514 -8.444 -2.215 1.00 0.00 N ATOM 812 CA GLY A 52 4.666 -9.014 -1.171 1.00 0.00 C ATOM 813 C GLY A 52 3.778 -7.996 -0.452 1.00 0.00 C ATOM 814 O GLY A 52 2.892 -8.395 0.300 1.00 0.00 O ATOM 0 H GLY A 52 6.512 -8.563 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.032 -9.782 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.300 -9.509 -0.435 1.00 0.00 H new ATOM 818 N PHE A 53 4.000 -6.700 -0.666 1.00 0.00 N ATOM 819 CA PHE A 53 3.151 -5.620 -0.202 1.00 0.00 C ATOM 820 C PHE A 53 2.998 -4.595 -1.311 1.00 0.00 C ATOM 821 O PHE A 53 3.957 -4.311 -2.038 1.00 0.00 O ATOM 822 CB PHE A 53 3.781 -4.954 1.020 1.00 0.00 C ATOM 823 CG PHE A 53 3.166 -5.378 2.329 1.00 0.00 C ATOM 824 CD1 PHE A 53 3.493 -6.624 2.891 1.00 0.00 C ATOM 825 CD2 PHE A 53 2.319 -4.493 3.016 1.00 0.00 C ATOM 826 CE1 PHE A 53 2.991 -6.978 4.152 1.00 0.00 C ATOM 827 CE2 PHE A 53 1.835 -4.838 4.286 1.00 0.00 C ATOM 828 CZ PHE A 53 2.162 -6.085 4.850 1.00 0.00 C ATOM 0 H PHE A 53 4.810 -6.368 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 53 2.174 -6.019 0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.846 -5.184 1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.690 -3.872 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.131 -7.309 2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.042 -3.550 2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.241 -7.935 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.211 -4.146 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.775 -6.356 5.821 1.00 0.00 H new ATOM 838 N VAL A 54 1.807 -4.004 -1.383 1.00 0.00 N ATOM 839 CA VAL A 54 1.422 -3.112 -2.467 1.00 0.00 C ATOM 840 C VAL A 54 0.812 -1.871 -1.809 1.00 0.00 C ATOM 841 O VAL A 54 -0.369 -1.849 -1.464 1.00 0.00 O ATOM 842 CB VAL A 54 0.447 -3.853 -3.409 1.00 0.00 C ATOM 843 CG1 VAL A 54 0.412 -3.227 -4.805 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.737 -5.340 -3.573 1.00 0.00 C ATOM 0 H VAL A 54 1.077 -4.134 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 54 2.263 -2.802 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.518 -3.748 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.286 -3.779 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.089 -2.189 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.408 -3.267 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.005 -5.781 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.738 -5.472 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.676 -5.832 -2.602 1.00 0.00 H new ATOM 854 N ILE A 55 1.625 -0.859 -1.531 1.00 0.00 N ATOM 855 CA ILE A 55 1.237 0.308 -0.747 1.00 0.00 C ATOM 856 C ILE A 55 1.140 1.479 -1.715 1.00 0.00 C ATOM 857 O ILE A 55 2.074 1.728 -2.482 1.00 0.00 O ATOM 858 CB ILE A 55 2.189 0.502 0.462 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.516 -0.863 1.136 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.590 1.519 1.447 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.416 -0.812 2.372 1.00 0.00 C ATOM 0 H ILE A 55 2.593 -0.826 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 55 0.261 0.195 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 55 3.137 0.909 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.577 -1.339 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.990 -1.506 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.266 1.648 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.452 2.476 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.627 1.155 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.571 -1.822 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.377 -0.373 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.942 -0.204 3.143 1.00 0.00 H new ATOM 873 N SER A 56 0.000 2.168 -1.745 1.00 0.00 N ATOM 874 CA SER A 56 -0.184 3.284 -2.658 1.00 0.00 C ATOM 875 C SER A 56 -0.993 4.390 -2.005 1.00 0.00 C ATOM 876 O SER A 56 -1.600 4.214 -0.945 1.00 0.00 O ATOM 877 CB SER A 56 -0.821 2.800 -3.973 1.00 0.00 C ATOM 878 OG SER A 56 -2.160 2.377 -3.804 1.00 0.00 O ATOM 0 H SER A 56 -0.804 1.971 -1.149 1.00 0.00 H new ATOM 0 HA SER A 56 0.792 3.705 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.788 3.605 -4.707 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.232 1.977 -4.377 1.00 0.00 H new ATOM 0 HG SER A 56 -2.744 3.161 -3.735 1.00 0.00 H new ATOM 884 N ASP A 57 -1.020 5.558 -2.644 1.00 0.00 N ATOM 885 CA ASP A 57 -2.080 6.518 -2.393 1.00 0.00 C ATOM 886 C ASP A 57 -3.385 5.947 -2.952 1.00 0.00 C ATOM 887 O ASP A 57 -3.406 4.940 -3.666 1.00 0.00 O ATOM 888 CB ASP A 57 -1.755 7.893 -3.001 1.00 0.00 C ATOM 889 CG ASP A 57 -2.332 9.005 -2.126 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.574 9.159 -2.080 1.00 0.00 O ATOM 891 OD2 ASP A 57 -1.542 9.636 -1.394 1.00 0.00 O ATOM 0 H ASP A 57 -0.327 5.855 -3.330 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.182 6.679 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.675 8.013 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.168 7.961 -4.008 1.00 0.00 H new ATOM 896 N TRP A 58 -4.478 6.613 -2.622 1.00 0.00 N ATOM 897 CA TRP A 58 -5.754 6.513 -3.291 1.00 0.00 C ATOM 898 C TRP A 58 -5.745 7.465 -4.487 1.00 0.00 C ATOM 899 O TRP A 58 -6.061 7.097 -5.616 1.00 0.00 O ATOM 900 CB TRP A 58 -6.814 6.947 -2.277 1.00 0.00 C ATOM 901 CG TRP A 58 -8.220 6.814 -2.723 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.985 7.774 -3.279 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.069 5.657 -2.573 1.00 0.00 C ATOM 904 NE1 TRP A 58 -10.239 7.262 -3.533 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.360 5.968 -3.080 1.00 0.00 C ATOM 906 CE3 TRP A 58 -8.871 4.394 -1.992 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.422 5.062 -3.004 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -9.934 3.490 -1.887 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.200 3.827 -2.379 1.00 0.00 C ATOM 0 H TRP A 58 -4.495 7.269 -1.841 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.957 5.503 -3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.683 6.360 -1.368 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.633 7.989 -2.012 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.666 8.784 -3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.985 7.778 -3.999 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.893 4.119 -1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.389 5.307 -3.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.777 2.527 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.016 3.127 -2.276 1.00 0.00 H new ATOM 920 N ASN A 59 -5.386 8.720 -4.215 1.00 0.00 N ATOM 921 CA ASN A 59 -5.693 9.878 -5.025 1.00 0.00 C ATOM 922 C ASN A 59 -4.625 10.070 -6.094 1.00 0.00 C ATOM 923 O ASN A 59 -3.804 10.987 -6.017 1.00 0.00 O ATOM 924 CB ASN A 59 -5.814 11.081 -4.086 1.00 0.00 C ATOM 925 CG ASN A 59 -6.350 12.300 -4.816 1.00 0.00 C ATOM 926 OD1 ASN A 59 -7.512 12.314 -5.226 1.00 0.00 O ATOM 927 ND2 ASN A 59 -5.543 13.333 -4.963 1.00 0.00 N ATOM 0 H ASN A 59 -4.848 8.958 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.636 9.752 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.475 10.832 -3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.838 11.311 -3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.875 14.178 -5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.587 13.287 -4.611 1.00 0.00 H new ATOM 934 N MET A 60 -4.638 9.196 -7.096 1.00 0.00 N ATOM 935 CA MET A 60 -3.743 9.249 -8.240 1.00 0.00 C ATOM 936 C MET A 60 -4.619 9.267 -9.497 1.00 0.00 C ATOM 937 O MET A 60 -5.499 8.418 -9.618 1.00 0.00 O ATOM 938 CB MET A 60 -2.765 8.065 -8.175 1.00 0.00 C ATOM 939 CG MET A 60 -1.556 8.303 -9.075 1.00 0.00 C ATOM 940 SD MET A 60 -0.528 9.732 -8.630 1.00 0.00 S ATOM 941 CE MET A 60 0.518 9.767 -10.102 1.00 0.00 C ATOM 0 H MET A 60 -5.290 8.412 -7.133 1.00 0.00 H new ATOM 0 HA MET A 60 -3.122 10.145 -8.250 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.434 7.918 -7.147 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.275 7.151 -8.479 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.932 7.409 -9.062 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.906 8.433 -10.099 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.900 10.777 -10.253 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.353 9.079 -9.971 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.067 9.466 -10.971 1.00 0.00 H new ATOM 951 N PRO A 61 -4.468 10.247 -10.407 1.00 0.00 N ATOM 952 CA PRO A 61 -5.487 10.560 -11.410 1.00 0.00 C ATOM 953 C PRO A 61 -5.586 9.559 -12.572 1.00 0.00 C ATOM 954 O PRO A 61 -6.409 9.778 -13.464 1.00 0.00 O ATOM 955 CB PRO A 61 -5.132 11.969 -11.907 1.00 0.00 C ATOM 956 CG PRO A 61 -3.624 12.058 -11.697 1.00 0.00 C ATOM 957 CD PRO A 61 -3.431 11.269 -10.409 1.00 0.00 C ATOM 0 HA PRO A 61 -6.477 10.500 -10.958 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.399 12.103 -12.955 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.661 12.737 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.071 11.621 -12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.287 13.090 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.439 10.819 -10.372 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.520 11.917 -9.537 1.00 0.00 H new ATOM 965 N ASN A 62 -4.766 8.500 -12.610 1.00 0.00 N ATOM 966 CA ASN A 62 -4.778 7.516 -13.687 1.00 0.00 C ATOM 967 C ASN A 62 -5.399 6.241 -13.140 1.00 0.00 C ATOM 968 O ASN A 62 -6.626 6.144 -13.113 1.00 0.00 O ATOM 969 CB ASN A 62 -3.391 7.311 -14.319 1.00 0.00 C ATOM 970 CG ASN A 62 -2.964 8.490 -15.178 1.00 0.00 C ATOM 971 OD1 ASN A 62 -2.883 8.385 -16.399 1.00 0.00 O ATOM 972 ND2 ASN A 62 -2.679 9.627 -14.571 1.00 0.00 N ATOM 0 H ASN A 62 -4.073 8.306 -11.887 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.385 7.876 -14.518 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.655 7.155 -13.530 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.403 6.407 -14.928 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.386 10.437 -15.117 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.752 9.695 -13.556 1.00 0.00 H new ATOM 979 N MET A 63 -4.601 5.267 -12.691 1.00 0.00 N ATOM 980 CA MET A 63 -5.134 4.126 -11.960 1.00 0.00 C ATOM 981 C MET A 63 -5.090 4.503 -10.489 1.00 0.00 C ATOM 982 O MET A 63 -4.091 4.289 -9.806 1.00 0.00 O ATOM 983 CB MET A 63 -4.394 2.831 -12.305 1.00 0.00 C ATOM 984 CG MET A 63 -5.063 1.609 -11.665 1.00 0.00 C ATOM 985 SD MET A 63 -4.277 0.006 -12.000 1.00 0.00 S ATOM 986 CE MET A 63 -4.508 -0.158 -13.790 1.00 0.00 C ATOM 0 H MET A 63 -3.590 5.251 -12.823 1.00 0.00 H new ATOM 0 HA MET A 63 -6.164 3.908 -12.242 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.365 2.705 -13.387 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.361 2.900 -11.965 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.092 1.759 -10.586 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.096 1.564 -12.008 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.169 -1.143 -14.112 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.564 -0.041 -14.033 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.930 0.611 -14.303 1.00 0.00 H new ATOM 996 N ASP A 64 -6.183 5.108 -10.031 1.00 0.00 N ATOM 997 CA ASP A 64 -6.400 5.413 -8.624 1.00 0.00 C ATOM 998 C ASP A 64 -6.273 4.139 -7.784 1.00 0.00 C ATOM 999 O ASP A 64 -6.472 3.025 -8.282 1.00 0.00 O ATOM 1000 CB ASP A 64 -7.751 6.132 -8.452 1.00 0.00 C ATOM 1001 CG ASP A 64 -8.781 5.398 -7.589 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -8.708 5.504 -6.349 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -9.731 4.812 -8.159 1.00 0.00 O ATOM 0 H ASP A 64 -6.950 5.403 -10.635 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.633 6.096 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.568 7.113 -8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.182 6.299 -9.439 1.00 0.00 H new ATOM 1008 N GLY A 65 -5.937 4.303 -6.505 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.631 3.197 -5.613 1.00 0.00 C ATOM 1010 C GLY A 65 -6.765 2.179 -5.547 1.00 0.00 C ATOM 1011 O GLY A 65 -6.490 0.985 -5.405 1.00 0.00 O ATOM 0 H GLY A 65 -5.870 5.218 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.720 2.702 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.433 3.583 -4.613 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.027 2.606 -5.691 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.145 1.674 -5.648 1.00 0.00 C ATOM 1017 C LEU A 66 -9.176 0.803 -6.894 1.00 0.00 C ATOM 1018 O LEU A 66 -9.494 -0.383 -6.802 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.473 2.428 -5.482 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.636 1.641 -4.836 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.540 0.838 -5.765 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.193 0.659 -3.755 1.00 0.00 C ATOM 0 H LEU A 66 -8.290 3.581 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.008 1.023 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.287 3.318 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.797 2.770 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.206 2.478 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.311 0.337 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.009 1.508 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.947 0.093 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.065 0.146 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.509 -0.072 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.688 1.201 -2.956 1.00 0.00 H new ATOM 1034 N GLU A 67 -8.824 1.360 -8.051 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.727 0.596 -9.280 1.00 0.00 C ATOM 1036 C GLU A 67 -7.562 -0.380 -9.196 1.00 0.00 C ATOM 1037 O GLU A 67 -7.728 -1.528 -9.617 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.555 1.498 -10.509 1.00 0.00 C ATOM 1039 CG GLU A 67 -9.727 2.449 -10.755 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.063 1.787 -11.115 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.177 0.539 -11.209 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -12.051 2.545 -11.267 1.00 0.00 O ATOM 0 H GLU A 67 -8.600 2.350 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.663 0.049 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.644 2.085 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.419 0.871 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.873 3.054 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.453 3.131 -11.560 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.412 0.034 -8.648 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.258 -0.846 -8.463 1.00 0.00 C ATOM 1051 C LEU A 68 -5.648 -2.019 -7.571 1.00 0.00 C ATOM 1052 O LEU A 68 -5.428 -3.175 -7.940 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.072 -0.079 -7.853 1.00 0.00 C ATOM 1054 CG LEU A 68 -2.775 -0.921 -7.803 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.282 -1.225 -9.224 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -1.705 -0.144 -7.028 1.00 0.00 C ATOM 0 H LEU A 68 -6.259 0.988 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.946 -1.223 -9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.891 0.824 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.332 0.240 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.976 -1.867 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.369 -1.818 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.048 -1.783 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.079 -0.290 -9.746 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.787 -0.730 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.509 0.804 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.057 0.048 -6.015 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.284 -1.710 -6.433 1.00 0.00 N ATOM 1069 CA LEU A 69 -6.868 -2.677 -5.520 1.00 0.00 C ATOM 1070 C LEU A 69 -7.746 -3.611 -6.323 1.00 0.00 C ATOM 1071 O LEU A 69 -7.434 -4.790 -6.382 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.585 -1.968 -4.351 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.779 -2.671 -3.670 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.636 -4.141 -3.244 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.117 -1.906 -2.386 1.00 0.00 C ATOM 0 H LEU A 69 -6.405 -0.747 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.100 -3.283 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.840 -1.766 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.936 -1.003 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.533 -2.669 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.564 -4.478 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.422 -4.754 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.820 -4.234 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.959 -2.386 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.253 -1.910 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.380 -0.878 -2.634 1.00 0.00 H new ATOM 1087 N LYS A 70 -8.813 -3.135 -6.962 1.00 0.00 N ATOM 1088 CA LYS A 70 -9.763 -4.041 -7.606 1.00 0.00 C ATOM 1089 C LYS A 70 -9.151 -4.851 -8.745 1.00 0.00 C ATOM 1090 O LYS A 70 -9.635 -5.961 -8.989 1.00 0.00 O ATOM 1091 CB LYS A 70 -10.998 -3.281 -8.087 1.00 0.00 C ATOM 1092 CG LYS A 70 -11.900 -2.902 -6.902 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.266 -2.442 -7.425 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.338 -2.408 -6.334 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.698 -2.483 -6.901 1.00 0.00 N ATOM 0 H LYS A 70 -9.040 -2.144 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.061 -4.761 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.692 -2.381 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.557 -3.895 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.023 -3.757 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.436 -2.107 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.167 -1.448 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.588 -3.110 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.184 -3.240 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.236 -1.492 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.397 -2.457 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.854 -1.675 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.803 -3.369 -7.435 1.00 0.00 H new ATOM 1109 N THR A 71 -8.116 -4.354 -9.417 1.00 0.00 N ATOM 1110 CA THR A 71 -7.370 -5.113 -10.409 1.00 0.00 C ATOM 1111 C THR A 71 -6.732 -6.328 -9.727 1.00 0.00 C ATOM 1112 O THR A 71 -6.956 -7.466 -10.131 1.00 0.00 O ATOM 1113 CB THR A 71 -6.330 -4.199 -11.081 1.00 0.00 C ATOM 1114 OG1 THR A 71 -6.961 -3.062 -11.633 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.614 -4.905 -12.223 1.00 0.00 C ATOM 0 H THR A 71 -7.771 -3.403 -9.285 1.00 0.00 H new ATOM 0 HA THR A 71 -8.030 -5.481 -11.195 1.00 0.00 H new ATOM 0 HB THR A 71 -5.614 -3.921 -10.307 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.189 -2.434 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.888 -4.227 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.099 -5.786 -11.840 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.341 -5.208 -12.976 1.00 0.00 H new ATOM 1123 N ILE A 72 -5.977 -6.096 -8.656 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.311 -7.128 -7.872 1.00 0.00 C ATOM 1125 C ILE A 72 -6.348 -8.067 -7.242 1.00 0.00 C ATOM 1126 O ILE A 72 -6.242 -9.289 -7.376 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.349 -6.372 -6.912 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.085 -5.981 -7.722 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -3.990 -7.141 -5.642 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -2.012 -5.180 -6.975 1.00 0.00 C ATOM 0 H ILE A 72 -5.808 -5.155 -8.300 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.701 -7.819 -8.453 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.867 -5.487 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.627 -6.895 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.402 -5.401 -8.589 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.316 -6.540 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.898 -7.355 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.500 -8.077 -5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.181 -4.969 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.439 -4.242 -6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.652 -5.759 -6.125 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.404 -7.511 -6.647 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.552 -8.209 -6.078 1.00 0.00 C ATOM 1144 C ARG A 73 -9.435 -8.879 -7.134 1.00 0.00 C ATOM 1145 O ARG A 73 -10.537 -9.299 -6.778 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.374 -7.249 -5.179 1.00 0.00 C ATOM 1147 CG ARG A 73 -9.383 -7.697 -3.711 1.00 0.00 C ATOM 1148 CD ARG A 73 -10.279 -8.915 -3.472 1.00 0.00 C ATOM 1149 NE ARG A 73 -11.704 -8.554 -3.342 1.00 0.00 N ATOM 1150 CZ ARG A 73 -12.730 -9.216 -3.894 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -12.573 -9.954 -4.986 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -13.930 -9.144 -3.333 1.00 0.00 N ATOM 0 H ARG A 73 -7.483 -6.499 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.159 -9.019 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.958 -6.244 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.398 -7.196 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.365 -7.933 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.723 -6.872 -3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.160 -9.617 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.954 -9.429 -2.567 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.927 -7.730 -2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.655 -10.027 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.370 -10.448 -5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.066 -8.588 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.717 -9.644 -3.746 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.054 -8.934 -8.416 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.898 -9.514 -9.456 1.00 0.00 C ATOM 1168 C ALA A 74 -10.266 -10.964 -9.147 1.00 0.00 C ATOM 1169 O ALA A 74 -11.352 -11.375 -9.541 1.00 0.00 O ATOM 1170 CB ALA A 74 -9.213 -9.436 -10.819 1.00 0.00 C ATOM 0 H ALA A 74 -8.159 -8.580 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.817 -8.928 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.861 -9.874 -11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.016 -8.393 -11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.272 -9.985 -10.785 1.00 0.00 H new ATOM 1176 N ASP A 75 -9.378 -11.684 -8.447 1.00 0.00 N ATOM 1177 CA ASP A 75 -9.499 -13.029 -7.853 1.00 0.00 C ATOM 1178 C ASP A 75 -8.287 -13.840 -8.277 1.00 0.00 C ATOM 1179 O ASP A 75 -7.328 -13.978 -7.513 1.00 0.00 O ATOM 1180 CB ASP A 75 -10.792 -13.835 -8.137 1.00 0.00 C ATOM 1181 CG ASP A 75 -11.934 -13.528 -7.177 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -11.707 -13.604 -5.949 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -13.096 -13.351 -7.616 1.00 0.00 O ATOM 0 H ASP A 75 -8.453 -11.297 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 75 -9.556 -12.852 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.121 -13.628 -9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.563 -14.900 -8.086 1.00 0.00 H new ATOM 1188 N GLY A 76 -8.315 -14.350 -9.509 1.00 0.00 N ATOM 1189 CA GLY A 76 -7.371 -15.305 -10.073 1.00 0.00 C ATOM 1190 C GLY A 76 -6.075 -14.638 -10.512 1.00 0.00 C ATOM 1191 O GLY A 76 -5.553 -14.954 -11.582 1.00 0.00 O ATOM 0 H GLY A 76 -9.042 -14.090 -10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.150 -16.075 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.828 -15.805 -10.927 1.00 0.00 H new ATOM 1195 N ALA A 77 -5.580 -13.683 -9.729 1.00 0.00 N ATOM 1196 CA ALA A 77 -4.325 -13.008 -9.942 1.00 0.00 C ATOM 1197 C ALA A 77 -3.661 -12.803 -8.582 1.00 0.00 C ATOM 1198 O ALA A 77 -2.731 -13.536 -8.249 1.00 0.00 O ATOM 1199 CB ALA A 77 -4.563 -11.700 -10.715 1.00 0.00 C ATOM 0 H ALA A 77 -6.071 -13.353 -8.898 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.647 -13.600 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.611 -11.193 -10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.020 -11.925 -11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.227 -11.054 -10.141 1.00 0.00 H new ATOM 1205 N MET A 78 -4.130 -11.822 -7.805 1.00 0.00 N ATOM 1206 CA MET A 78 -3.334 -11.233 -6.734 1.00 0.00 C ATOM 1207 C MET A 78 -4.129 -10.873 -5.478 1.00 0.00 C ATOM 1208 O MET A 78 -3.586 -10.157 -4.648 1.00 0.00 O ATOM 1209 CB MET A 78 -2.579 -10.031 -7.327 1.00 0.00 C ATOM 1210 CG MET A 78 -1.607 -10.429 -8.437 1.00 0.00 C ATOM 1211 SD MET A 78 -0.423 -9.139 -8.914 1.00 0.00 S ATOM 1212 CE MET A 78 -1.270 -8.448 -10.360 1.00 0.00 C ATOM 0 H MET A 78 -5.062 -11.420 -7.902 1.00 0.00 H new ATOM 0 HA MET A 78 -2.631 -11.982 -6.369 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.299 -9.314 -7.721 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.029 -9.526 -6.533 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.052 -11.310 -8.115 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.182 -10.718 -9.317 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.691 -7.614 -10.757 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.370 -9.218 -11.125 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.259 -8.096 -10.068 1.00 0.00 H new ATOM 1222 N SER A 79 -5.362 -11.346 -5.266 1.00 0.00 N ATOM 1223 CA SER A 79 -6.139 -10.946 -4.088 1.00 0.00 C ATOM 1224 C SER A 79 -5.431 -11.189 -2.747 1.00 0.00 C ATOM 1225 O SER A 79 -5.735 -10.489 -1.782 1.00 0.00 O ATOM 1226 CB SER A 79 -7.479 -11.668 -4.053 1.00 0.00 C ATOM 1227 OG SER A 79 -8.213 -11.465 -5.238 1.00 0.00 O ATOM 0 H SER A 79 -5.839 -11.999 -5.887 1.00 0.00 H new ATOM 0 HA SER A 79 -6.271 -9.870 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.313 -12.735 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.060 -11.316 -3.201 1.00 0.00 H new ATOM 0 HG SER A 79 -9.172 -11.500 -5.039 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.475 -12.121 -2.664 1.00 0.00 N ATOM 1234 CA ALA A 80 -3.709 -12.354 -1.446 1.00 0.00 C ATOM 1235 C ALA A 80 -2.753 -11.202 -1.101 1.00 0.00 C ATOM 1236 O ALA A 80 -2.150 -11.209 -0.026 1.00 0.00 O ATOM 1237 CB ALA A 80 -2.942 -13.667 -1.590 1.00 0.00 C ATOM 0 H ALA A 80 -4.215 -12.730 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.413 -12.413 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.365 -13.852 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.646 -14.485 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.267 -13.602 -2.444 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.560 -10.232 -1.992 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.684 -9.096 -1.767 1.00 0.00 C ATOM 1245 C LEU A 81 -2.362 -8.064 -0.866 1.00 0.00 C ATOM 1246 O LEU A 81 -3.472 -7.627 -1.189 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.340 -8.437 -3.108 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.179 -9.095 -3.856 1.00 0.00 C ATOM 1249 CD1 LEU A 81 0.014 -8.348 -5.178 1.00 0.00 C ATOM 1250 CD2 LEU A 81 1.128 -9.041 -3.049 1.00 0.00 C ATOM 0 H LEU A 81 -3.017 -10.218 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.776 -9.452 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.224 -8.456 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.096 -7.389 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.419 -10.145 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.838 -8.797 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.900 -8.412 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.242 -7.302 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.926 -9.519 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.393 -8.002 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.993 -9.564 -2.102 1.00 0.00 H new ATOM 1262 N PRO A 82 -1.707 -7.605 0.216 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.193 -6.488 1.002 1.00 0.00 C ATOM 1264 C PRO A 82 -2.024 -5.181 0.208 1.00 0.00 C ATOM 1265 O PRO A 82 -0.979 -4.531 0.270 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.395 -6.515 2.307 1.00 0.00 C ATOM 1267 CG PRO A 82 -0.068 -7.148 1.898 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.452 -8.101 0.765 1.00 0.00 C ATOM 0 HA PRO A 82 -3.257 -6.556 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.254 -5.513 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.900 -7.101 3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.647 -6.397 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.394 -7.680 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.323 -8.126 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.566 -9.119 1.136 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.053 -4.803 -0.554 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.174 -3.480 -1.161 1.00 0.00 C ATOM 1278 C VAL A 83 -3.578 -2.497 -0.066 1.00 0.00 C ATOM 1279 O VAL A 83 -4.686 -2.586 0.483 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.123 -3.475 -2.371 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.393 -4.031 -3.601 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.420 -4.259 -2.140 1.00 0.00 C ATOM 0 H VAL A 83 -3.837 -5.419 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.215 -3.170 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.415 -2.437 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.067 -4.027 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.524 -3.410 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.068 -5.052 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.039 -4.211 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.182 -5.299 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.963 -3.825 -1.300 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.650 -1.635 0.347 1.00 0.00 N ATOM 1293 CA LEU A 84 -2.766 -0.768 1.513 1.00 0.00 C ATOM 1294 C LEU A 84 -2.844 0.677 1.037 1.00 0.00 C ATOM 1295 O LEU A 84 -1.898 1.189 0.437 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.589 -1.032 2.465 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.567 -0.130 3.714 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -2.882 -0.163 4.504 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.413 -0.553 4.632 1.00 0.00 C ATOM 0 H LEU A 84 -1.763 -1.519 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.675 -0.976 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.622 -2.074 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.657 -0.896 1.917 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.429 0.893 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.802 0.493 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.698 0.177 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.081 -1.182 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.398 0.085 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.552 -1.590 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.532 -0.455 4.097 1.00 0.00 H new ATOM 1311 N MET A 85 -3.998 1.304 1.265 1.00 0.00 N ATOM 1312 CA MET A 85 -4.266 2.671 0.835 1.00 0.00 C ATOM 1313 C MET A 85 -3.732 3.614 1.913 1.00 0.00 C ATOM 1314 O MET A 85 -4.097 3.462 3.079 1.00 0.00 O ATOM 1315 CB MET A 85 -5.779 2.877 0.639 1.00 0.00 C ATOM 1316 CG MET A 85 -6.467 1.864 -0.291 1.00 0.00 C ATOM 1317 SD MET A 85 -6.076 1.987 -2.058 1.00 0.00 S ATOM 1318 CE MET A 85 -4.615 0.923 -2.212 1.00 0.00 C ATOM 0 H MET A 85 -4.779 0.871 1.758 1.00 0.00 H new ATOM 0 HA MET A 85 -3.776 2.875 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.263 2.836 1.615 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.944 3.879 0.243 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.207 0.861 0.046 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.545 1.971 -0.173 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.539 0.555 -3.235 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.721 1.495 -1.965 1.00 0.00 H new ATOM 0 HE3 MET A 85 -4.706 0.079 -1.528 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.881 4.571 1.550 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.213 5.502 2.456 1.00 0.00 C ATOM 1330 C VAL A 86 -2.328 6.890 1.816 1.00 0.00 C ATOM 1331 O VAL A 86 -1.470 7.264 1.016 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.752 5.036 2.689 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.003 5.923 3.689 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.671 3.589 3.201 1.00 0.00 C ATOM 0 H VAL A 86 -2.627 4.725 0.574 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.669 5.538 3.445 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.284 5.110 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.019 5.549 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.036 6.946 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.509 5.904 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.373 3.313 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.204 3.508 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.125 2.919 2.471 1.00 0.00 H new ATOM 1344 N THR A 87 -3.403 7.634 2.091 1.00 0.00 N ATOM 1345 CA THR A 87 -3.822 8.764 1.258 1.00 0.00 C ATOM 1346 C THR A 87 -3.914 10.093 2.023 1.00 0.00 C ATOM 1347 O THR A 87 -3.723 10.166 3.239 1.00 0.00 O ATOM 1348 CB THR A 87 -5.100 8.371 0.493 1.00 0.00 C ATOM 1349 OG1 THR A 87 -5.482 9.400 -0.395 1.00 0.00 O ATOM 1350 CG2 THR A 87 -6.296 8.004 1.373 1.00 0.00 C ATOM 0 H THR A 87 -4.007 7.470 2.897 1.00 0.00 H new ATOM 0 HA THR A 87 -3.044 8.972 0.523 1.00 0.00 H new ATOM 0 HB THR A 87 -4.828 7.464 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.845 9.443 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.145 7.743 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.037 7.153 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.559 8.854 2.002 1.00 0.00 H new ATOM 1358 N ALA A 88 -4.174 11.179 1.296 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.622 12.458 1.817 1.00 0.00 C ATOM 1360 C ALA A 88 -6.151 12.508 1.960 1.00 0.00 C ATOM 1361 O ALA A 88 -6.650 13.343 2.721 1.00 0.00 O ATOM 1362 CB ALA A 88 -4.165 13.548 0.847 1.00 0.00 C ATOM 0 H ALA A 88 -4.071 11.185 0.281 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.195 12.607 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.489 14.522 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.078 13.533 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.602 13.368 -0.135 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.894 11.664 1.236 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.346 11.724 1.120 1.00 0.00 C ATOM 1370 C GLU A 89 -9.019 10.963 2.265 1.00 0.00 C ATOM 1371 O GLU A 89 -9.041 9.730 2.289 1.00 0.00 O ATOM 1372 CB GLU A 89 -8.786 11.149 -0.235 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.293 11.980 -1.427 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.879 13.394 -1.445 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -10.123 13.541 -1.428 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.098 14.372 -1.454 1.00 0.00 O ATOM 0 H GLU A 89 -6.484 10.899 0.700 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.655 12.768 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.411 10.130 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.874 11.093 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.205 12.042 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.557 11.470 -2.354 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.605 11.689 3.219 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.438 11.100 4.265 1.00 0.00 C ATOM 1385 C ALA A 90 -11.892 10.889 3.813 1.00 0.00 C ATOM 1386 O ALA A 90 -12.757 10.659 4.663 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.452 12.009 5.493 1.00 0.00 C ATOM 0 H ALA A 90 -9.514 12.703 3.287 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.003 10.128 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.075 11.563 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.436 12.129 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.855 12.984 5.219 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.209 11.078 2.525 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.576 11.081 2.006 1.00 0.00 C ATOM 1395 C LYS A 91 -14.284 9.811 2.469 1.00 0.00 C ATOM 1396 O LYS A 91 -13.833 8.713 2.148 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.536 11.153 0.473 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.923 11.290 -0.175 1.00 0.00 C ATOM 1399 CD LYS A 91 -15.384 12.755 -0.226 1.00 0.00 C ATOM 1400 CE LYS A 91 -15.026 13.385 -1.579 1.00 0.00 C ATOM 1401 NZ LYS A 91 -16.088 13.183 -2.588 1.00 0.00 N ATOM 0 H LYS A 91 -11.506 11.236 1.803 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.122 11.947 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.920 12.001 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -13.052 10.255 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.895 10.882 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.647 10.700 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.461 12.809 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.914 13.319 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.852 14.453 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.094 12.953 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.663 12.856 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.763 12.470 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.587 14.081 -2.752 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.398 9.929 3.195 1.00 0.00 N ATOM 1416 CA LYS A 92 -16.095 8.742 3.673 1.00 0.00 C ATOM 1417 C LYS A 92 -16.491 7.857 2.503 1.00 0.00 C ATOM 1418 O LYS A 92 -16.308 6.654 2.602 1.00 0.00 O ATOM 1419 CB LYS A 92 -17.289 9.077 4.579 1.00 0.00 C ATOM 1420 CG LYS A 92 -17.060 8.549 6.007 1.00 0.00 C ATOM 1421 CD LYS A 92 -16.070 9.350 6.865 1.00 0.00 C ATOM 1422 CE LYS A 92 -16.721 10.543 7.581 1.00 0.00 C ATOM 1423 NZ LYS A 92 -17.005 11.675 6.680 1.00 0.00 N ATOM 0 H LYS A 92 -15.827 10.816 3.458 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.402 8.184 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.439 10.156 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -18.198 8.639 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -18.020 8.523 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.705 7.520 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.623 8.688 7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.260 9.712 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.650 10.216 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.064 10.881 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -17.050 12.555 7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -16.250 11.750 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.916 11.519 6.203 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.921 8.418 1.371 1.00 0.00 N ATOM 1438 CA GLU A 93 -17.210 7.622 0.176 1.00 0.00 C ATOM 1439 C GLU A 93 -16.004 6.783 -0.272 1.00 0.00 C ATOM 1440 O GLU A 93 -16.201 5.703 -0.829 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.554 8.528 -1.011 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.801 9.409 -0.862 1.00 0.00 C ATOM 1443 CD GLU A 93 -18.500 10.858 -1.253 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -17.799 11.097 -2.264 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -18.910 11.770 -0.496 1.00 0.00 O ATOM 0 H GLU A 93 -17.077 9.420 1.257 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.043 6.975 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.699 9.177 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -17.683 7.900 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.603 9.019 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.155 9.373 0.168 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.771 7.266 -0.066 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.557 6.522 -0.385 1.00 0.00 C ATOM 1454 C ASN A 94 -13.343 5.427 0.655 1.00 0.00 C ATOM 1455 O ASN A 94 -12.985 4.312 0.286 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.293 7.394 -0.437 1.00 0.00 C ATOM 1457 CG ASN A 94 -12.226 8.464 -1.517 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -11.412 9.370 -1.429 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -13.055 8.438 -2.547 1.00 0.00 N ATOM 0 H ASN A 94 -14.593 8.189 0.329 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.708 6.108 -1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.181 7.884 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.434 6.735 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.010 9.169 -3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.739 7.687 -2.632 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.605 5.693 1.943 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.595 4.643 2.966 1.00 0.00 C ATOM 1468 C ILE A 95 -14.604 3.553 2.559 1.00 0.00 C ATOM 1469 O ILE A 95 -14.248 2.368 2.615 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.854 5.200 4.395 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.599 5.860 5.022 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -14.295 4.055 5.339 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -12.323 7.296 4.554 1.00 0.00 C ATOM 0 H ILE A 95 -13.825 6.624 2.298 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.599 4.202 3.018 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.632 5.956 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.710 5.862 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.729 5.245 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -14.474 4.455 6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -15.211 3.603 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.511 3.300 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.427 7.673 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.175 7.305 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.171 7.931 4.809 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.830 3.931 2.156 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.843 3.016 1.635 1.00 0.00 C ATOM 1487 C ILE A 96 -16.206 2.236 0.501 1.00 0.00 C ATOM 1488 O ILE A 96 -16.216 1.015 0.562 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.152 3.721 1.171 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -19.153 3.939 2.325 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.892 2.920 0.076 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -18.850 5.176 3.159 1.00 0.00 C ATOM 0 H ILE A 96 -16.144 4.901 2.187 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.162 2.355 2.441 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.819 4.683 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -20.159 4.024 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -19.147 3.062 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.798 3.452 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.244 2.806 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.157 1.936 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.591 5.270 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.857 5.084 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.884 6.061 2.523 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.693 2.912 -0.527 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.187 2.296 -1.743 1.00 0.00 C ATOM 1506 C ALA A 97 -14.100 1.276 -1.419 1.00 0.00 C ATOM 1507 O ALA A 97 -14.132 0.152 -1.918 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.654 3.388 -2.660 1.00 0.00 C ATOM 0 H ALA A 97 -15.618 3.929 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 97 -15.993 1.763 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.271 2.939 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.458 4.082 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.851 3.926 -2.157 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.163 1.632 -0.544 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.114 0.729 -0.126 1.00 0.00 C ATOM 1516 C ALA A 98 -12.744 -0.492 0.544 1.00 0.00 C ATOM 1517 O ALA A 98 -12.311 -1.610 0.289 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.175 1.445 0.851 1.00 0.00 C ATOM 0 H ALA A 98 -13.116 2.554 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.536 0.406 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.386 0.762 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.731 2.311 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.739 1.772 1.724 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.770 -0.306 1.383 1.00 0.00 N ATOM 1525 CA ALA A 99 -14.523 -1.406 1.973 1.00 0.00 C ATOM 1526 C ALA A 99 -15.483 -2.111 0.990 1.00 0.00 C ATOM 1527 O ALA A 99 -15.930 -3.217 1.299 1.00 0.00 O ATOM 1528 CB ALA A 99 -15.283 -0.873 3.200 1.00 0.00 C ATOM 0 H ALA A 99 -14.098 0.616 1.669 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.808 -2.175 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.853 -1.683 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.572 -0.478 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.964 -0.080 2.890 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.801 -1.531 -0.171 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.578 -2.153 -1.239 1.00 0.00 C ATOM 1536 C GLN A 100 -15.679 -3.162 -1.951 1.00 0.00 C ATOM 1537 O GLN A 100 -16.038 -4.331 -2.082 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.141 -1.116 -2.233 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.273 -0.219 -1.731 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.280 -0.928 -0.841 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -20.222 -1.550 -1.322 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -19.064 -0.871 0.462 1.00 0.00 N ATOM 0 H GLN A 100 -15.512 -0.580 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.443 -2.654 -0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.320 -0.476 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.497 -1.650 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.842 0.617 -1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.796 0.202 -2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.270 -0.344 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.691 -1.354 1.105 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.488 -2.729 -2.372 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.478 -3.598 -2.954 1.00 0.00 C ATOM 1553 C ALA A 101 -12.924 -4.596 -1.931 1.00 0.00 C ATOM 1554 O ALA A 101 -12.617 -5.739 -2.273 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.349 -2.718 -3.468 1.00 0.00 C ATOM 0 H ALA A 101 -14.200 -1.752 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.929 -4.178 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.574 -3.343 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.737 -2.032 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.926 -2.148 -2.641 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.816 -4.178 -0.672 1.00 0.00 N ATOM 1562 CA GLY A 102 -12.234 -4.945 0.416 1.00 0.00 C ATOM 1563 C GLY A 102 -10.722 -4.772 0.441 1.00 0.00 C ATOM 1564 O GLY A 102 -9.991 -5.755 0.335 1.00 0.00 O ATOM 0 H GLY A 102 -13.146 -3.260 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.659 -4.620 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.483 -6.000 0.299 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.247 -3.530 0.582 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.819 -3.238 0.684 1.00 0.00 C ATOM 1570 C ALA A 103 -8.206 -3.946 1.884 1.00 0.00 C ATOM 1571 O ALA A 103 -8.921 -4.309 2.827 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.575 -1.729 0.803 1.00 0.00 C ATOM 0 H ALA A 103 -10.842 -2.703 0.628 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.344 -3.603 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.504 -1.538 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.973 -1.226 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.074 -1.349 1.694 1.00 0.00 H new ATOM 1578 N SER A 104 -6.876 -4.066 1.890 1.00 0.00 N ATOM 1579 CA SER A 104 -6.185 -4.619 3.041 1.00 0.00 C ATOM 1580 C SER A 104 -6.440 -3.705 4.242 1.00 0.00 C ATOM 1581 O SER A 104 -6.822 -4.171 5.320 1.00 0.00 O ATOM 1582 CB SER A 104 -4.710 -4.846 2.705 1.00 0.00 C ATOM 1583 OG SER A 104 -3.931 -3.675 2.783 1.00 0.00 O ATOM 0 H SER A 104 -6.269 -3.790 1.118 1.00 0.00 H new ATOM 0 HA SER A 104 -6.567 -5.604 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.301 -5.592 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.634 -5.258 1.699 1.00 0.00 H new ATOM 0 HG SER A 104 -4.346 -2.969 2.244 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.360 -2.390 4.011 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.636 -1.353 4.974 1.00 0.00 C ATOM 1591 C GLY A 105 -6.523 0.015 4.318 1.00 0.00 C ATOM 1592 O GLY A 105 -6.103 0.143 3.162 1.00 0.00 O ATOM 0 H GLY A 105 -6.087 -2.017 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.636 -1.486 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.936 -1.424 5.807 1.00 0.00 H new ATOM 1596 N TYR A 106 -6.899 1.026 5.091 1.00 0.00 N ATOM 1597 CA TYR A 106 -6.968 2.422 4.706 1.00 0.00 C ATOM 1598 C TYR A 106 -6.270 3.230 5.800 1.00 0.00 C ATOM 1599 O TYR A 106 -6.489 2.978 6.989 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.452 2.795 4.561 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.742 4.005 3.702 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.927 3.840 2.316 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -8.903 5.278 4.282 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -9.265 4.940 1.511 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.232 6.379 3.472 1.00 0.00 C ATOM 1606 CZ TYR A 106 -9.396 6.221 2.083 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.691 7.289 1.299 1.00 0.00 O ATOM 0 H TYR A 106 -7.180 0.880 6.061 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.474 2.627 3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.984 1.940 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.862 2.971 5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.808 2.864 1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.774 5.408 5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.425 4.804 0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.360 7.354 3.919 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.439 8.115 1.763 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.431 4.183 5.422 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.722 5.145 6.255 1.00 0.00 C ATOM 1619 C VAL A 107 -4.901 6.482 5.543 1.00 0.00 C ATOM 1620 O VAL A 107 -4.935 6.534 4.311 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.239 4.731 6.398 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.388 5.794 7.102 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.099 3.436 7.209 1.00 0.00 C ATOM 0 H VAL A 107 -5.209 4.315 4.435 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.104 5.201 7.274 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.882 4.597 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.357 5.447 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.420 6.722 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.781 5.970 8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.045 3.171 7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.516 3.584 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.637 2.632 6.706 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.004 7.561 6.313 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.097 8.915 5.795 1.00 0.00 C ATOM 1635 C VAL A 108 -4.015 9.731 6.501 1.00 0.00 C ATOM 1636 O VAL A 108 -3.503 9.305 7.535 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.518 9.496 5.996 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.748 10.733 5.113 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.619 8.488 5.633 1.00 0.00 C ATOM 0 H VAL A 108 -5.025 7.514 7.332 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.932 8.941 4.718 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.576 9.751 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.755 11.116 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.020 11.503 5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.632 10.458 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.596 8.944 5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.518 8.200 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.525 7.604 6.263 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.689 10.911 5.979 1.00 0.00 N ATOM 1650 CA LYS A 109 -3.010 11.975 6.714 1.00 0.00 C ATOM 1651 C LYS A 109 -3.737 12.215 8.047 1.00 0.00 C ATOM 1652 O LYS A 109 -4.970 12.252 8.024 1.00 0.00 O ATOM 1653 CB LYS A 109 -3.063 13.242 5.843 1.00 0.00 C ATOM 1654 CG LYS A 109 -2.215 14.403 6.382 1.00 0.00 C ATOM 1655 CD LYS A 109 -2.265 15.589 5.404 1.00 0.00 C ATOM 1656 CE LYS A 109 -1.025 16.471 5.564 1.00 0.00 C ATOM 1657 NZ LYS A 109 -0.919 17.476 4.487 1.00 0.00 N ATOM 0 H LYS A 109 -3.894 11.160 5.011 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.975 11.708 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.724 12.994 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.099 13.570 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.585 14.711 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.184 14.078 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.326 15.221 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.163 16.179 5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.061 16.976 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.133 15.845 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.066 18.052 4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.858 16.994 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.758 18.090 4.501 1.00 0.00 H new ATOM 1671 N PRO A 110 -3.044 12.476 9.170 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.639 12.171 9.415 1.00 0.00 C ATOM 1673 C PRO A 110 -1.494 10.682 9.753 1.00 0.00 C ATOM 1674 O PRO A 110 -2.475 10.013 10.078 1.00 0.00 O ATOM 1675 CB PRO A 110 -1.290 13.020 10.640 1.00 0.00 C ATOM 1676 CG PRO A 110 -2.566 12.916 11.471 1.00 0.00 C ATOM 1677 CD PRO A 110 -3.665 12.944 10.404 1.00 0.00 C ATOM 0 HA PRO A 110 -0.996 12.379 8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.423 12.630 11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.061 14.051 10.370 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.594 11.997 12.057 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.661 13.745 12.172 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.500 12.303 10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.064 13.951 10.282 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.264 10.187 9.879 1.00 0.00 N ATOM 1686 CA PHE A 111 0.014 8.773 10.100 1.00 0.00 C ATOM 1687 C PHE A 111 1.521 8.592 10.261 1.00 0.00 C ATOM 1688 O PHE A 111 2.327 9.388 9.766 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.473 7.911 8.911 1.00 0.00 C ATOM 1690 CG PHE A 111 0.301 8.079 7.616 1.00 0.00 C ATOM 1691 CD1 PHE A 111 -0.080 9.050 6.670 1.00 0.00 C ATOM 1692 CD2 PHE A 111 1.411 7.254 7.363 1.00 0.00 C ATOM 1693 CE1 PHE A 111 0.663 9.208 5.487 1.00 0.00 C ATOM 1694 CE2 PHE A 111 2.153 7.417 6.184 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.781 8.392 5.246 1.00 0.00 C ATOM 0 H PHE A 111 0.575 10.765 9.830 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.516 8.449 10.996 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.430 6.862 9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.520 8.146 8.720 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.943 9.673 6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.693 6.494 8.077 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.374 9.956 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.013 6.791 5.998 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.354 8.515 4.339 1.00 0.00 H new ATOM 1705 N THR A 112 1.890 7.570 11.014 1.00 0.00 N ATOM 1706 CA THR A 112 3.225 7.280 11.513 1.00 0.00 C ATOM 1707 C THR A 112 3.334 5.774 11.742 1.00 0.00 C ATOM 1708 O THR A 112 2.368 5.037 11.500 1.00 0.00 O ATOM 1709 CB THR A 112 3.485 8.073 12.812 1.00 0.00 C ATOM 1710 OG1 THR A 112 2.321 8.109 13.619 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.956 9.492 12.541 1.00 0.00 C ATOM 0 H THR A 112 1.214 6.868 11.315 1.00 0.00 H new ATOM 0 HA THR A 112 3.982 7.585 10.790 1.00 0.00 H new ATOM 0 HB THR A 112 4.283 7.550 13.340 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.506 8.614 14.438 1.00 0.00 H new ATOM 0 HG21 THR A 112 4.124 10.006 13.487 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.886 9.464 11.972 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.196 10.024 11.969 1.00 0.00 H new ATOM 1719 N ALA A 113 4.494 5.305 12.218 1.00 0.00 N ATOM 1720 CA ALA A 113 4.690 3.902 12.544 1.00 0.00 C ATOM 1721 C ALA A 113 3.640 3.440 13.562 1.00 0.00 C ATOM 1722 O ALA A 113 3.195 2.308 13.456 1.00 0.00 O ATOM 1723 CB ALA A 113 6.123 3.636 13.014 1.00 0.00 C ATOM 0 H ALA A 113 5.313 5.889 12.384 1.00 0.00 H new ATOM 0 HA ALA A 113 4.549 3.309 11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.238 2.578 13.250 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.822 3.909 12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.331 4.231 13.903 1.00 0.00 H new ATOM 1729 N ALA A 114 3.148 4.333 14.433 1.00 0.00 N ATOM 1730 CA ALA A 114 2.047 4.078 15.357 1.00 0.00 C ATOM 1731 C ALA A 114 0.833 3.429 14.681 1.00 0.00 C ATOM 1732 O ALA A 114 0.243 2.505 15.238 1.00 0.00 O ATOM 1733 CB ALA A 114 1.614 5.398 16.008 1.00 0.00 C ATOM 0 H ALA A 114 3.520 5.279 14.512 1.00 0.00 H new ATOM 0 HA ALA A 114 2.415 3.374 16.104 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.792 5.211 16.699 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.455 5.828 16.553 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.288 6.095 15.236 1.00 0.00 H new ATOM 1739 N THR A 115 0.441 3.907 13.495 1.00 0.00 N ATOM 1740 CA THR A 115 -0.715 3.368 12.790 1.00 0.00 C ATOM 1741 C THR A 115 -0.257 2.329 11.759 1.00 0.00 C ATOM 1742 O THR A 115 -0.989 1.374 11.526 1.00 0.00 O ATOM 1743 CB THR A 115 -1.570 4.532 12.242 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.964 4.292 12.287 1.00 0.00 O ATOM 1745 CG2 THR A 115 -1.236 4.953 10.814 1.00 0.00 C ATOM 0 H THR A 115 0.912 4.668 13.006 1.00 0.00 H new ATOM 0 HA THR A 115 -1.378 2.819 13.459 1.00 0.00 H new ATOM 0 HB THR A 115 -1.305 5.338 12.926 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.441 5.069 11.927 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.886 5.775 10.516 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.196 5.276 10.764 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.387 4.109 10.141 1.00 0.00 H new ATOM 1753 N LEU A 116 0.945 2.457 11.172 1.00 0.00 N ATOM 1754 CA LEU A 116 1.500 1.472 10.238 1.00 0.00 C ATOM 1755 C LEU A 116 1.572 0.114 10.954 1.00 0.00 C ATOM 1756 O LEU A 116 1.099 -0.883 10.421 1.00 0.00 O ATOM 1757 CB LEU A 116 2.883 1.948 9.729 1.00 0.00 C ATOM 1758 CG LEU A 116 3.491 1.330 8.447 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.410 -0.187 8.420 1.00 0.00 C ATOM 1760 CD2 LEU A 116 2.913 1.865 7.130 1.00 0.00 C ATOM 0 H LEU A 116 1.560 3.254 11.336 1.00 0.00 H new ATOM 0 HA LEU A 116 0.863 1.364 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.817 3.024 9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.598 1.788 10.536 1.00 0.00 H new ATOM 0 HG LEU A 116 4.532 1.647 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.853 -0.559 7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.953 -0.596 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.366 -0.497 8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.403 1.371 6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.842 1.664 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.083 2.940 7.068 1.00 0.00 H new ATOM 1772 N GLU A 117 2.120 0.069 12.171 1.00 0.00 N ATOM 1773 CA GLU A 117 2.334 -1.153 12.939 1.00 0.00 C ATOM 1774 C GLU A 117 1.011 -1.830 13.295 1.00 0.00 C ATOM 1775 O GLU A 117 0.881 -3.048 13.170 1.00 0.00 O ATOM 1776 CB GLU A 117 3.223 -0.850 14.162 1.00 0.00 C ATOM 1777 CG GLU A 117 2.615 -0.059 15.331 1.00 0.00 C ATOM 1778 CD GLU A 117 2.210 -0.958 16.494 1.00 0.00 C ATOM 1779 OE1 GLU A 117 3.057 -1.231 17.377 1.00 0.00 O ATOM 1780 OE2 GLU A 117 1.051 -1.416 16.544 1.00 0.00 O ATOM 0 H GLU A 117 2.435 0.907 12.660 1.00 0.00 H new ATOM 0 HA GLU A 117 2.869 -1.878 12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.581 -1.801 14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.097 -0.302 13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.337 0.679 15.681 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.742 0.490 14.979 1.00 0.00 H new ATOM 1787 N GLU A 118 0.009 -1.036 13.666 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.319 -1.513 14.004 1.00 0.00 C ATOM 1789 C GLU A 118 -2.006 -2.030 12.729 1.00 0.00 C ATOM 1790 O GLU A 118 -2.687 -3.052 12.750 1.00 0.00 O ATOM 1791 CB GLU A 118 -2.084 -0.343 14.643 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.452 -0.731 15.228 1.00 0.00 C ATOM 1793 CD GLU A 118 -3.478 -1.080 16.718 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -2.712 -0.505 17.517 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -4.364 -1.878 17.098 1.00 0.00 O ATOM 0 H GLU A 118 0.105 -0.023 13.740 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.287 -2.340 14.713 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.471 0.088 15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.229 0.435 13.893 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.143 0.094 15.058 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.833 -1.586 14.670 1.00 0.00 H new ATOM 1802 N LYS A 119 -1.845 -1.342 11.595 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.400 -1.759 10.306 1.00 0.00 C ATOM 1804 C LYS A 119 -1.749 -3.056 9.838 1.00 0.00 C ATOM 1805 O LYS A 119 -2.470 -3.928 9.357 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.245 -0.630 9.272 1.00 0.00 C ATOM 1807 CG LYS A 119 -3.180 0.560 9.568 1.00 0.00 C ATOM 1808 CD LYS A 119 -4.585 0.335 9.009 1.00 0.00 C ATOM 1809 CE LYS A 119 -5.588 1.329 9.608 1.00 0.00 C ATOM 1810 NZ LYS A 119 -6.942 1.118 9.059 1.00 0.00 N ATOM 0 H LYS A 119 -1.319 -0.469 11.547 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.466 -1.956 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.211 -0.285 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.458 -1.019 8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.239 0.716 10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.759 1.468 9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.569 0.441 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.906 -0.684 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.611 1.218 10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.263 2.348 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.651 1.373 9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.072 1.713 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.059 0.118 8.798 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.432 -3.205 10.013 1.00 0.00 N ATOM 1825 CA LEU A 120 0.277 -4.461 9.800 1.00 0.00 C ATOM 1826 C LEU A 120 -0.369 -5.545 10.653 1.00 0.00 C ATOM 1827 O LEU A 120 -0.709 -6.592 10.117 1.00 0.00 O ATOM 1828 CB LEU A 120 1.773 -4.342 10.133 1.00 0.00 C ATOM 1829 CG LEU A 120 2.658 -3.669 9.074 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.069 -3.474 9.640 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.746 -4.482 7.781 1.00 0.00 C ATOM 0 H LEU A 120 0.176 -2.442 10.311 1.00 0.00 H new ATOM 0 HA LEU A 120 0.205 -4.721 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.872 -3.785 11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.162 -5.343 10.317 1.00 0.00 H new ATOM 0 HG LEU A 120 2.201 -2.710 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.699 -2.996 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.021 -2.844 10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.492 -4.443 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.384 -3.961 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.169 -5.463 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.749 -4.601 7.358 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.591 -5.305 11.951 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.215 -6.314 12.805 1.00 0.00 C ATOM 1845 C ASN A 121 -2.630 -6.675 12.351 1.00 0.00 C ATOM 1846 O ASN A 121 -2.992 -7.850 12.360 1.00 0.00 O ATOM 1847 CB ASN A 121 -1.204 -5.907 14.277 1.00 0.00 C ATOM 1848 CG ASN A 121 -1.708 -7.084 15.100 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -1.050 -8.117 15.152 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -2.868 -6.981 15.720 1.00 0.00 N ATOM 0 H ASN A 121 -0.351 -4.434 12.424 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.604 -7.211 12.702 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -0.196 -5.630 14.587 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -1.837 -5.034 14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -3.232 -7.770 16.255 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -3.401 -6.113 15.665 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.420 -5.698 11.894 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.730 -5.968 11.301 1.00 0.00 C ATOM 1859 C LYS A 122 -4.587 -6.953 10.144 1.00 0.00 C ATOM 1860 O LYS A 122 -5.294 -7.953 10.136 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.433 -4.675 10.857 1.00 0.00 C ATOM 1862 CG LYS A 122 -5.936 -3.822 12.033 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.352 -2.410 11.575 1.00 0.00 C ATOM 1864 CE LYS A 122 -5.526 -1.320 12.269 1.00 0.00 C ATOM 1865 NZ LYS A 122 -6.143 -0.857 13.525 1.00 0.00 N ATOM 0 H LYS A 122 -3.172 -4.709 11.925 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.363 -6.420 12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.743 -4.082 10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.276 -4.930 10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.785 -4.317 12.505 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.153 -3.744 12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.229 -2.327 10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.410 -2.256 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.527 -1.704 12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.407 -0.473 11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.798 0.098 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.177 -0.834 13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.890 -1.507 14.296 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.711 -6.715 9.163 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.576 -7.647 8.031 1.00 0.00 C ATOM 1881 C ILE A 123 -2.854 -8.952 8.396 1.00 0.00 C ATOM 1882 O ILE A 123 -3.117 -9.975 7.755 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.963 -6.965 6.791 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.593 -6.335 7.080 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.986 -5.954 6.248 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -1.055 -5.456 5.958 1.00 0.00 C ATOM 0 H ILE A 123 -3.095 -5.903 9.125 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.591 -7.942 7.766 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.759 -7.714 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.666 -5.738 7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.875 -7.131 7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.575 -5.457 5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.903 -6.476 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.206 -5.211 7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.084 -5.052 6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.946 -6.050 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.749 -4.636 5.774 1.00 0.00 H new ATOM 1898 N PHE A 124 -2.008 -8.963 9.431 1.00 0.00 N ATOM 1899 CA PHE A 124 -1.479 -10.202 9.983 1.00 0.00 C ATOM 1900 C PHE A 124 -2.663 -11.067 10.391 1.00 0.00 C ATOM 1901 O PHE A 124 -2.854 -12.160 9.867 1.00 0.00 O ATOM 1902 CB PHE A 124 -0.556 -9.977 11.192 1.00 0.00 C ATOM 1903 CG PHE A 124 0.782 -9.270 10.998 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.439 -9.220 9.754 1.00 0.00 C ATOM 1905 CD2 PHE A 124 1.403 -8.676 12.114 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.669 -8.550 9.617 1.00 0.00 C ATOM 1907 CE2 PHE A 124 2.629 -8.000 11.982 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.263 -7.936 10.732 1.00 0.00 C ATOM 0 H PHE A 124 -1.677 -8.121 9.901 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.868 -10.686 9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -1.120 -9.409 11.932 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -0.348 -10.953 11.630 1.00 0.00 H new ATOM 0 HD1 PHE A 124 0.994 -9.701 8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 124 0.932 -8.741 13.084 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.156 -8.508 8.654 1.00 0.00 H new ATOM 0 HE2 PHE A 124 3.082 -7.530 12.842 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.204 -7.417 10.628 1.00 0.00 H new ATOM 1918 N GLU A 125 -3.492 -10.556 11.296 1.00 0.00 N ATOM 1919 CA GLU A 125 -4.564 -11.337 11.875 1.00 0.00 C ATOM 1920 C GLU A 125 -5.651 -11.632 10.840 1.00 0.00 C ATOM 1921 O GLU A 125 -6.152 -12.758 10.772 1.00 0.00 O ATOM 1922 CB GLU A 125 -5.154 -10.581 13.077 1.00 0.00 C ATOM 1923 CG GLU A 125 -4.189 -10.478 14.273 1.00 0.00 C ATOM 1924 CD GLU A 125 -4.764 -9.663 15.440 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -5.944 -9.231 15.397 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -4.060 -9.462 16.458 1.00 0.00 O ATOM 0 H GLU A 125 -3.436 -9.598 11.642 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.161 -12.292 12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.437 -9.577 12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.067 -11.083 13.399 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -3.945 -11.481 14.623 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -3.257 -10.020 13.942 1.00 0.00 H new ATOM 1933 N LYS A 126 -6.034 -10.631 10.042 1.00 0.00 N ATOM 1934 CA LYS A 126 -7.140 -10.749 9.094 1.00 0.00 C ATOM 1935 C LYS A 126 -6.706 -11.679 7.978 1.00 0.00 C ATOM 1936 O LYS A 126 -7.295 -12.748 7.823 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.604 -9.372 8.565 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.977 -9.342 7.849 1.00 0.00 C ATOM 1939 CD LYS A 126 -9.201 -10.334 6.686 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.887 -9.748 5.449 1.00 0.00 C ATOM 1941 NZ LYS A 126 -11.271 -9.313 5.692 1.00 0.00 N ATOM 0 H LYS A 126 -5.584 -9.716 10.037 1.00 0.00 H new ATOM 0 HA LYS A 126 -8.011 -11.168 9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.640 -8.677 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.849 -8.998 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.749 -9.522 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -9.133 -8.334 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.235 -10.741 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -9.799 -11.168 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.306 -8.898 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -9.884 -10.494 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.673 -8.928 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.840 -10.125 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.280 -8.578 6.428 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.767 -11.228 7.136 1.00 0.00 N ATOM 1956 CA LEU A 127 -5.431 -11.930 5.905 1.00 0.00 C ATOM 1957 C LEU A 127 -4.699 -13.226 6.237 1.00 0.00 C ATOM 1958 O LEU A 127 -4.799 -14.202 5.490 1.00 0.00 O ATOM 1959 CB LEU A 127 -4.535 -11.096 4.967 1.00 0.00 C ATOM 1960 CG LEU A 127 -4.843 -9.603 4.729 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -4.066 -9.100 3.508 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -6.324 -9.285 4.537 1.00 0.00 C ATOM 0 H LEU A 127 -5.228 -10.376 7.292 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.371 -12.126 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.517 -11.159 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -4.540 -11.587 3.994 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.531 -9.092 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.288 -8.045 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.997 -9.224 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.360 -9.673 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.448 -8.214 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.704 -9.829 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.879 -9.585 5.426 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.973 -13.249 7.356 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.919 -14.211 7.602 1.00 0.00 C ATOM 1976 C GLY A 128 -1.592 -13.666 7.083 1.00 0.00 C ATOM 1977 O GLY A 128 -0.772 -14.471 6.640 1.00 0.00 O ATOM 0 H GLY A 128 -4.109 -12.588 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.845 -14.418 8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -3.153 -15.155 7.109 1.00 0.00 H new ATOM 1981 N MET A 129 -1.363 -12.342 7.076 1.00 0.00 N ATOM 1982 CA MET A 129 -0.027 -11.852 6.700 1.00 0.00 C ATOM 1983 C MET A 129 0.978 -12.246 7.775 1.00 0.00 C ATOM 1984 O MET A 129 2.188 -12.293 7.477 1.00 0.00 O ATOM 1985 CB MET A 129 0.018 -10.341 6.420 1.00 0.00 C ATOM 1986 CG MET A 129 -0.690 -9.899 5.139 1.00 0.00 C ATOM 1987 SD MET A 129 -0.334 -10.830 3.619 1.00 0.00 S ATOM 1988 CE MET A 129 1.462 -10.630 3.464 1.00 0.00 C ATOM 1989 OXT MET A 129 0.575 -12.519 8.924 1.00 0.00 O ATOM 0 H MET A 129 -2.047 -11.624 7.313 1.00 0.00 H new ATOM 0 HA MET A 129 0.238 -12.327 5.755 1.00 0.00 H new ATOM 0 HB2 MET A 129 -0.430 -9.817 7.264 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.061 -10.028 6.367 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.765 -9.943 5.316 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.439 -8.854 4.960 1.00 0.00 H new ATOM 0 HE1 MET A 129 1.811 -11.152 2.573 1.00 0.00 H new ATOM 0 HE2 MET A 129 1.704 -9.570 3.382 1.00 0.00 H new ATOM 0 HE3 MET A 129 1.952 -11.047 4.344 1.00 0.00 H new TER 1999 MET A 129