USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HD1:sc= -0.899 K(o=-0.8,f=-2.8) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 94 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 39:sc= 0.31 USER MOD Single : A 44 GLN : amide:sc= -1.54! C(o=-1.5!,f=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 179:sc= -4.8! (180deg=-4.92!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= -1.82 (180deg=-1.89) USER MOD Single : A 68 LYS NZ :NH3+ -111:sc= 0.101 (180deg=-0.354) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 73 MET CE :methyl 145:sc= -0.0372 (180deg=-0.525) USER MOD Single : A 74 ASN : amide:sc= -3.32 K(o=-3.3,f=-2.5) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0159) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0161 USER MOD Single : A 105 MET CE :methyl -112:sc= -0.241 (180deg=-1.66) USER MOD Single : A 108 LYS NZ :NH3+ -120:sc= 0.411 (180deg=0.111) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 20.403 5.038 21.411 1.00 0.00 N ATOM 2 CA GLY A 37 21.559 4.834 20.557 1.00 0.00 C ATOM 3 C GLY A 37 21.253 5.095 19.096 1.00 0.00 C ATOM 4 O GLY A 37 21.649 4.321 18.224 1.00 0.00 O ATOM 0 HA2 GLY A 37 22.366 5.492 20.879 1.00 0.00 H new ATOM 0 HA3 GLY A 37 21.917 3.811 20.673 1.00 0.00 H new ATOM 8 N SER A 38 20.546 6.188 18.826 1.00 0.00 N ATOM 9 CA SER A 38 20.183 6.546 17.460 1.00 0.00 C ATOM 10 C SER A 38 21.398 7.055 16.691 1.00 0.00 C ATOM 11 O SER A 38 22.132 7.920 17.169 1.00 0.00 O ATOM 12 CB SER A 38 19.085 7.612 17.465 1.00 0.00 C ATOM 13 OG SER A 38 17.922 7.143 18.124 1.00 0.00 O ATOM 0 H SER A 38 20.213 6.841 19.536 1.00 0.00 H new ATOM 0 HA SER A 38 19.809 5.651 16.963 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.450 8.512 17.961 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.839 7.890 16.440 1.00 0.00 H new ATOM 0 HG SER A 38 17.236 7.843 18.115 1.00 0.00 H new ATOM 19 N SER A 39 21.604 6.512 15.496 1.00 0.00 N ATOM 20 CA SER A 39 22.732 6.907 14.660 1.00 0.00 C ATOM 21 C SER A 39 22.570 8.344 14.173 1.00 0.00 C ATOM 22 O SER A 39 23.518 9.128 14.192 1.00 0.00 O ATOM 23 CB SER A 39 22.863 5.962 13.464 1.00 0.00 C ATOM 24 OG SER A 39 21.786 6.134 12.559 1.00 0.00 O ATOM 0 H SER A 39 21.004 5.797 15.084 1.00 0.00 H new ATOM 0 HA SER A 39 23.638 6.846 15.262 1.00 0.00 H new ATOM 0 HB2 SER A 39 23.807 6.148 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.888 4.930 13.813 1.00 0.00 H new ATOM 0 HG SER A 39 21.893 5.520 11.802 1.00 0.00 H new ATOM 30 N GLY A 40 21.361 8.682 13.737 1.00 0.00 N ATOM 31 CA GLY A 40 21.095 10.023 13.251 1.00 0.00 C ATOM 32 C GLY A 40 20.145 10.788 14.151 1.00 0.00 C ATOM 33 O GLY A 40 20.187 10.647 15.373 1.00 0.00 O ATOM 0 H GLY A 40 20.560 8.051 13.712 1.00 0.00 H new ATOM 0 HA2 GLY A 40 22.034 10.570 13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.673 9.965 12.248 1.00 0.00 H new ATOM 37 N SER A 41 19.286 11.602 13.546 1.00 0.00 N ATOM 38 CA SER A 41 18.325 12.397 14.300 1.00 0.00 C ATOM 39 C SER A 41 17.006 11.647 14.462 1.00 0.00 C ATOM 40 O SER A 41 16.720 10.707 13.720 1.00 0.00 O ATOM 41 CB SER A 41 18.080 13.737 13.603 1.00 0.00 C ATOM 42 OG SER A 41 17.422 13.553 12.362 1.00 0.00 O ATOM 0 H SER A 41 19.236 11.728 12.535 1.00 0.00 H new ATOM 0 HA SER A 41 18.742 12.581 15.290 1.00 0.00 H new ATOM 0 HB2 SER A 41 17.478 14.380 14.245 1.00 0.00 H new ATOM 0 HB3 SER A 41 19.030 14.246 13.442 1.00 0.00 H new ATOM 0 HG SER A 41 17.275 14.424 11.937 1.00 0.00 H new ATOM 48 N SER A 42 16.208 12.069 15.437 1.00 0.00 N ATOM 49 CA SER A 42 14.921 11.435 15.699 1.00 0.00 C ATOM 50 C SER A 42 13.970 11.628 14.522 1.00 0.00 C ATOM 51 O SER A 42 13.574 12.749 14.206 1.00 0.00 O ATOM 52 CB SER A 42 14.296 12.009 16.973 1.00 0.00 C ATOM 53 OG SER A 42 14.214 13.422 16.909 1.00 0.00 O ATOM 0 H SER A 42 16.430 12.847 16.059 1.00 0.00 H new ATOM 0 HA SER A 42 15.091 10.367 15.835 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.300 11.590 17.114 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.891 11.715 17.838 1.00 0.00 H new ATOM 0 HG SER A 42 13.961 13.694 16.002 1.00 0.00 H new ATOM 59 N GLY A 43 13.608 10.524 13.875 1.00 0.00 N ATOM 60 CA GLY A 43 12.707 10.592 12.739 1.00 0.00 C ATOM 61 C GLY A 43 13.260 9.886 11.517 1.00 0.00 C ATOM 62 O GLY A 43 13.769 10.528 10.599 1.00 0.00 O ATOM 0 H GLY A 43 13.922 9.584 14.117 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.750 10.146 13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.513 11.637 12.495 1.00 0.00 H new ATOM 66 N GLN A 44 13.161 8.560 11.506 1.00 0.00 N ATOM 67 CA GLN A 44 13.658 7.767 10.389 1.00 0.00 C ATOM 68 C GLN A 44 12.579 7.589 9.325 1.00 0.00 C ATOM 69 O GLN A 44 12.734 6.796 8.395 1.00 0.00 O ATOM 70 CB GLN A 44 14.137 6.400 10.880 1.00 0.00 C ATOM 71 CG GLN A 44 13.018 5.516 11.407 1.00 0.00 C ATOM 72 CD GLN A 44 12.643 5.842 12.839 1.00 0.00 C ATOM 73 OE1 GLN A 44 11.562 6.367 13.105 1.00 0.00 O ATOM 74 NE2 GLN A 44 13.537 5.532 13.771 1.00 0.00 N ATOM 0 H GLN A 44 12.741 8.013 12.258 1.00 0.00 H new ATOM 0 HA GLN A 44 14.498 8.300 9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.640 5.885 10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.876 6.545 11.668 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.140 5.629 10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.325 4.472 11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.421 5.098 13.505 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.340 5.728 14.752 1.00 0.00 H new ATOM 83 N LYS A 45 11.486 8.330 9.468 1.00 0.00 N ATOM 84 CA LYS A 45 10.381 8.256 8.520 1.00 0.00 C ATOM 85 C LYS A 45 10.681 9.076 7.269 1.00 0.00 C ATOM 86 O LYS A 45 10.435 8.630 6.149 1.00 0.00 O ATOM 87 CB LYS A 45 9.089 8.754 9.172 1.00 0.00 C ATOM 88 CG LYS A 45 8.639 7.911 10.352 1.00 0.00 C ATOM 89 CD LYS A 45 7.739 8.699 11.289 1.00 0.00 C ATOM 90 CE LYS A 45 6.842 7.780 12.105 1.00 0.00 C ATOM 91 NZ LYS A 45 6.247 8.482 13.276 1.00 0.00 N ATOM 0 H LYS A 45 11.342 8.990 10.232 1.00 0.00 H new ATOM 0 HA LYS A 45 10.255 7.214 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.233 9.782 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.297 8.769 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.107 7.031 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.512 7.554 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.350 9.302 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.125 9.389 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.045 7.393 11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.419 6.922 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.643 7.822 13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.007 8.829 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.675 9.285 12.945 1.00 0.00 H new ATOM 105 N VAL A 46 11.215 10.277 7.469 1.00 0.00 N ATOM 106 CA VAL A 46 11.552 11.158 6.357 1.00 0.00 C ATOM 107 C VAL A 46 12.017 10.359 5.144 1.00 0.00 C ATOM 108 O VAL A 46 11.427 10.448 4.068 1.00 0.00 O ATOM 109 CB VAL A 46 12.652 12.162 6.749 1.00 0.00 C ATOM 110 CG1 VAL A 46 13.022 13.039 5.563 1.00 0.00 C ATOM 111 CG2 VAL A 46 12.202 13.009 7.930 1.00 0.00 C ATOM 0 H VAL A 46 11.423 10.662 8.390 1.00 0.00 H new ATOM 0 HA VAL A 46 10.645 11.706 6.102 1.00 0.00 H new ATOM 0 HB VAL A 46 13.540 11.605 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.801 13.742 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.388 12.414 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.143 13.591 5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.991 13.713 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.300 13.559 7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.992 12.363 8.782 1.00 0.00 H new ATOM 121 N GLU A 47 13.077 9.579 5.327 1.00 0.00 N ATOM 122 CA GLU A 47 13.622 8.765 4.247 1.00 0.00 C ATOM 123 C GLU A 47 12.539 7.881 3.634 1.00 0.00 C ATOM 124 O GLU A 47 12.281 7.940 2.431 1.00 0.00 O ATOM 125 CB GLU A 47 14.773 7.898 4.762 1.00 0.00 C ATOM 126 CG GLU A 47 15.905 8.697 5.385 1.00 0.00 C ATOM 127 CD GLU A 47 17.172 7.881 5.552 1.00 0.00 C ATOM 128 OE1 GLU A 47 17.933 7.758 4.570 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.402 7.365 6.666 1.00 0.00 O ATOM 0 H GLU A 47 13.576 9.493 6.213 1.00 0.00 H new ATOM 0 HA GLU A 47 14.000 9.436 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.386 7.196 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.169 7.306 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.117 9.566 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.588 9.072 6.358 1.00 0.00 H new ATOM 136 N PHE A 48 11.910 7.061 4.469 1.00 0.00 N ATOM 137 CA PHE A 48 10.857 6.163 4.010 1.00 0.00 C ATOM 138 C PHE A 48 9.827 6.915 3.172 1.00 0.00 C ATOM 139 O PHE A 48 9.586 6.576 2.014 1.00 0.00 O ATOM 140 CB PHE A 48 10.170 5.496 5.204 1.00 0.00 C ATOM 141 CG PHE A 48 9.185 4.432 4.811 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.613 3.267 4.193 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.832 4.596 5.060 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.708 2.288 3.830 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.923 3.619 4.699 1.00 0.00 C ATOM 146 CZ PHE A 48 7.362 2.463 4.085 1.00 0.00 C ATOM 0 H PHE A 48 12.111 7.000 5.467 1.00 0.00 H new ATOM 0 HA PHE A 48 11.315 5.395 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.929 5.056 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.655 6.258 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.665 3.123 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.483 5.498 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.053 1.386 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.871 3.760 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.654 1.697 3.805 1.00 0.00 H new ATOM 156 N ARG A 49 9.223 7.939 3.767 1.00 0.00 N ATOM 157 CA ARG A 49 8.219 8.739 3.077 1.00 0.00 C ATOM 158 C ARG A 49 8.660 9.054 1.650 1.00 0.00 C ATOM 159 O ARG A 49 7.958 8.741 0.688 1.00 0.00 O ATOM 160 CB ARG A 49 7.958 10.039 3.840 1.00 0.00 C ATOM 161 CG ARG A 49 6.677 10.743 3.425 1.00 0.00 C ATOM 162 CD ARG A 49 6.114 11.589 4.557 1.00 0.00 C ATOM 163 NE ARG A 49 5.188 12.608 4.071 1.00 0.00 N ATOM 164 CZ ARG A 49 4.898 13.717 4.741 1.00 0.00 C ATOM 165 NH1 ARG A 49 5.458 13.949 5.920 1.00 0.00 N ATOM 166 NH2 ARG A 49 4.045 14.597 4.233 1.00 0.00 N ATOM 0 H ARG A 49 9.412 8.234 4.725 1.00 0.00 H new ATOM 0 HA ARG A 49 7.297 8.159 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.913 9.821 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.800 10.715 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.872 11.376 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.937 10.004 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.601 10.944 5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.933 12.069 5.092 1.00 0.00 H new ATOM 0 HE ARG A 49 4.739 12.460 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.114 13.275 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.233 14.802 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.611 14.422 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.823 15.449 4.749 1.00 0.00 H new ATOM 180 N LYS A 50 9.827 9.675 1.521 1.00 0.00 N ATOM 181 CA LYS A 50 10.363 10.033 0.213 1.00 0.00 C ATOM 182 C LYS A 50 10.253 8.862 -0.758 1.00 0.00 C ATOM 183 O LYS A 50 9.686 8.995 -1.843 1.00 0.00 O ATOM 184 CB LYS A 50 11.825 10.467 0.340 1.00 0.00 C ATOM 185 CG LYS A 50 12.011 11.755 1.124 1.00 0.00 C ATOM 186 CD LYS A 50 13.442 12.259 1.037 1.00 0.00 C ATOM 187 CE LYS A 50 14.374 11.448 1.923 1.00 0.00 C ATOM 188 NZ LYS A 50 15.760 11.992 1.916 1.00 0.00 N ATOM 0 H LYS A 50 10.420 9.941 2.307 1.00 0.00 H new ATOM 0 HA LYS A 50 9.776 10.864 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.391 9.671 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.245 10.595 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.332 12.517 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.746 11.588 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.785 12.207 0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.478 13.307 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.991 11.443 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.389 10.413 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.364 11.411 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.135 11.974 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.750 12.972 2.265 1.00 0.00 H new ATOM 202 N ARG A 51 10.796 7.716 -0.362 1.00 0.00 N ATOM 203 CA ARG A 51 10.758 6.522 -1.198 1.00 0.00 C ATOM 204 C ARG A 51 9.339 6.248 -1.688 1.00 0.00 C ATOM 205 O ARG A 51 9.092 6.171 -2.892 1.00 0.00 O ATOM 206 CB ARG A 51 11.283 5.313 -0.422 1.00 0.00 C ATOM 207 CG ARG A 51 11.310 4.031 -1.237 1.00 0.00 C ATOM 208 CD ARG A 51 12.395 3.083 -0.749 1.00 0.00 C ATOM 209 NE ARG A 51 12.652 2.008 -1.703 1.00 0.00 N ATOM 210 CZ ARG A 51 11.948 0.882 -1.749 1.00 0.00 C ATOM 211 NH1 ARG A 51 10.950 0.685 -0.900 1.00 0.00 N ATOM 212 NH2 ARG A 51 12.243 -0.050 -2.647 1.00 0.00 N ATOM 0 H ARG A 51 11.268 7.589 0.533 1.00 0.00 H new ATOM 0 HA ARG A 51 11.397 6.694 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.291 5.529 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.661 5.160 0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.340 3.538 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.479 4.270 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.315 3.642 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.098 2.655 0.208 1.00 0.00 H new ATOM 0 HE ARG A 51 13.414 2.128 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.720 1.399 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.411 -0.180 -0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.011 0.098 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.702 -0.914 -2.682 1.00 0.00 H new ATOM 226 N MET A 52 8.412 6.100 -0.748 1.00 0.00 N ATOM 227 CA MET A 52 7.018 5.835 -1.086 1.00 0.00 C ATOM 228 C MET A 52 6.526 6.797 -2.162 1.00 0.00 C ATOM 229 O MET A 52 5.851 6.391 -3.108 1.00 0.00 O ATOM 230 CB MET A 52 6.138 5.953 0.160 1.00 0.00 C ATOM 231 CG MET A 52 6.176 4.721 1.050 1.00 0.00 C ATOM 232 SD MET A 52 7.807 4.429 1.762 1.00 0.00 S ATOM 233 CE MET A 52 8.532 3.361 0.520 1.00 0.00 C ATOM 0 H MET A 52 8.600 6.159 0.253 1.00 0.00 H new ATOM 0 HA MET A 52 6.952 4.819 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.457 6.820 0.739 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.109 6.137 -0.148 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.448 4.835 1.853 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.876 3.849 0.469 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.552 3.107 0.809 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.941 2.449 0.434 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.545 3.876 -0.440 1.00 0.00 H new ATOM 243 N GLU A 53 6.869 8.072 -2.012 1.00 0.00 N ATOM 244 CA GLU A 53 6.461 9.091 -2.972 1.00 0.00 C ATOM 245 C GLU A 53 6.918 8.725 -4.381 1.00 0.00 C ATOM 246 O GLU A 53 6.140 8.785 -5.334 1.00 0.00 O ATOM 247 CB GLU A 53 7.032 10.454 -2.576 1.00 0.00 C ATOM 248 CG GLU A 53 6.546 10.950 -1.225 1.00 0.00 C ATOM 249 CD GLU A 53 6.828 12.424 -1.007 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.831 12.923 -1.560 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.047 13.078 -0.285 1.00 0.00 O ATOM 0 H GLU A 53 7.428 8.424 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 53 5.372 9.146 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.120 10.392 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.766 11.185 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.474 10.773 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.026 10.372 -0.436 1.00 0.00 H new ATOM 258 N LYS A 54 8.185 8.346 -4.506 1.00 0.00 N ATOM 259 CA LYS A 54 8.748 7.969 -5.797 1.00 0.00 C ATOM 260 C LYS A 54 8.115 6.680 -6.311 1.00 0.00 C ATOM 261 O LYS A 54 7.701 6.600 -7.467 1.00 0.00 O ATOM 262 CB LYS A 54 10.264 7.795 -5.684 1.00 0.00 C ATOM 263 CG LYS A 54 10.985 7.865 -7.019 1.00 0.00 C ATOM 264 CD LYS A 54 10.940 9.267 -7.605 1.00 0.00 C ATOM 265 CE LYS A 54 11.763 9.364 -8.880 1.00 0.00 C ATOM 266 NZ LYS A 54 11.589 10.682 -9.553 1.00 0.00 N ATOM 0 H LYS A 54 8.842 8.292 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 54 8.532 8.768 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.662 8.567 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.477 6.834 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.023 7.557 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.529 7.163 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.906 9.541 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.316 9.981 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.816 9.212 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.471 8.566 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.166 10.709 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.588 10.816 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.892 11.442 -8.911 1.00 0.00 H new ATOM 280 N GLU A 55 8.042 5.675 -5.444 1.00 0.00 N ATOM 281 CA GLU A 55 7.459 4.390 -5.812 1.00 0.00 C ATOM 282 C GLU A 55 6.031 4.567 -6.322 1.00 0.00 C ATOM 283 O GLU A 55 5.697 4.139 -7.426 1.00 0.00 O ATOM 284 CB GLU A 55 7.470 3.438 -4.614 1.00 0.00 C ATOM 285 CG GLU A 55 8.804 2.744 -4.401 1.00 0.00 C ATOM 286 CD GLU A 55 9.031 1.603 -5.373 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.718 1.773 -6.570 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.519 0.539 -4.937 1.00 0.00 O ATOM 0 H GLU A 55 8.379 5.726 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 55 8.062 3.962 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.213 3.997 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.696 2.684 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.609 3.472 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.852 2.362 -3.381 1.00 0.00 H new ATOM 295 N VAL A 56 5.193 5.202 -5.508 1.00 0.00 N ATOM 296 CA VAL A 56 3.802 5.437 -5.876 1.00 0.00 C ATOM 297 C VAL A 56 3.699 6.085 -7.252 1.00 0.00 C ATOM 298 O VAL A 56 3.108 5.521 -8.172 1.00 0.00 O ATOM 299 CB VAL A 56 3.092 6.333 -4.843 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.679 6.661 -5.302 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.077 5.663 -3.478 1.00 0.00 C ATOM 0 H VAL A 56 5.453 5.563 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 56 3.312 4.464 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 56 3.646 7.268 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.193 7.294 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.719 7.186 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.111 5.738 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.572 6.310 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.548 4.712 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.101 5.486 -3.148 1.00 0.00 H new ATOM 311 N SER A 57 4.278 7.274 -7.384 1.00 0.00 N ATOM 312 CA SER A 57 4.248 8.002 -8.648 1.00 0.00 C ATOM 313 C SER A 57 4.603 7.083 -9.812 1.00 0.00 C ATOM 314 O SER A 57 3.800 6.877 -10.723 1.00 0.00 O ATOM 315 CB SER A 57 5.218 9.184 -8.602 1.00 0.00 C ATOM 316 OG SER A 57 4.844 10.187 -9.531 1.00 0.00 O ATOM 0 H SER A 57 4.773 7.754 -6.632 1.00 0.00 H new ATOM 0 HA SER A 57 3.236 8.377 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.237 9.604 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.228 8.838 -8.822 1.00 0.00 H new ATOM 0 HG SER A 57 5.478 10.932 -9.481 1.00 0.00 H new ATOM 322 N ASP A 58 5.812 6.532 -9.776 1.00 0.00 N ATOM 323 CA ASP A 58 6.275 5.634 -10.828 1.00 0.00 C ATOM 324 C ASP A 58 5.180 4.646 -11.219 1.00 0.00 C ATOM 325 O ASP A 58 4.986 4.353 -12.399 1.00 0.00 O ATOM 326 CB ASP A 58 7.522 4.877 -10.368 1.00 0.00 C ATOM 327 CG ASP A 58 8.160 4.078 -11.488 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.313 4.630 -12.598 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.506 2.902 -11.254 1.00 0.00 O ATOM 0 H ASP A 58 6.489 6.692 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 58 6.526 6.235 -11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.249 5.586 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.255 4.205 -9.552 1.00 0.00 H new ATOM 334 N PHE A 59 4.468 4.134 -10.221 1.00 0.00 N ATOM 335 CA PHE A 59 3.394 3.177 -10.460 1.00 0.00 C ATOM 336 C PHE A 59 2.222 3.843 -11.176 1.00 0.00 C ATOM 337 O PHE A 59 1.663 3.288 -12.122 1.00 0.00 O ATOM 338 CB PHE A 59 2.920 2.569 -9.139 1.00 0.00 C ATOM 339 CG PHE A 59 1.561 1.936 -9.223 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.415 2.708 -9.119 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.429 0.569 -9.407 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.838 2.128 -9.197 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.179 -0.016 -9.486 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.956 0.764 -9.380 1.00 0.00 C ATOM 0 H PHE A 59 4.615 4.366 -9.239 1.00 0.00 H new ATOM 0 HA PHE A 59 3.784 2.383 -11.098 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.641 1.819 -8.814 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.903 3.347 -8.376 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.501 3.775 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.313 -0.046 -9.490 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.723 2.741 -9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.090 -1.083 -9.631 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.933 0.308 -9.440 1.00 0.00 H new ATOM 354 N ILE A 60 1.856 5.035 -10.717 1.00 0.00 N ATOM 355 CA ILE A 60 0.752 5.776 -11.313 1.00 0.00 C ATOM 356 C ILE A 60 0.948 5.941 -12.816 1.00 0.00 C ATOM 357 O ILE A 60 0.072 5.593 -13.607 1.00 0.00 O ATOM 358 CB ILE A 60 0.596 7.168 -10.671 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.295 7.034 -9.177 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.503 7.954 -11.370 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.438 8.331 -8.413 1.00 0.00 C ATOM 0 H ILE A 60 2.308 5.508 -9.934 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.152 5.196 -11.129 1.00 0.00 H new ATOM 0 HB ILE A 60 1.534 7.712 -10.786 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.720 6.658 -9.052 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.966 6.291 -8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.601 8.935 -10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.250 8.075 -12.423 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.447 7.416 -11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.209 8.161 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.460 8.698 -8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.252 9.070 -8.819 1.00 0.00 H new ATOM 373 N GLN A 61 2.103 6.472 -13.201 1.00 0.00 N ATOM 374 CA GLN A 61 2.415 6.681 -14.610 1.00 0.00 C ATOM 375 C GLN A 61 2.401 5.361 -15.373 1.00 0.00 C ATOM 376 O GLN A 61 1.853 5.273 -16.472 1.00 0.00 O ATOM 377 CB GLN A 61 3.780 7.355 -14.758 1.00 0.00 C ATOM 378 CG GLN A 61 3.886 8.682 -14.025 1.00 0.00 C ATOM 379 CD GLN A 61 5.288 9.258 -14.061 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.154 8.770 -14.787 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.519 10.303 -13.274 1.00 0.00 N ATOM 0 H GLN A 61 2.838 6.765 -12.558 1.00 0.00 H new ATOM 0 HA GLN A 61 1.649 7.331 -15.032 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.551 6.681 -14.385 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.983 7.517 -15.817 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.193 9.395 -14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.580 8.545 -12.988 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.772 10.675 -12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.444 10.733 -13.256 1.00 0.00 H new ATOM 390 N ASP A 62 3.007 4.336 -14.784 1.00 0.00 N ATOM 391 CA ASP A 62 3.064 3.019 -15.407 1.00 0.00 C ATOM 392 C ASP A 62 1.661 2.486 -15.679 1.00 0.00 C ATOM 393 O ASP A 62 0.918 2.166 -14.752 1.00 0.00 O ATOM 394 CB ASP A 62 3.831 2.042 -14.516 1.00 0.00 C ATOM 395 CG ASP A 62 5.334 2.177 -14.667 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.805 3.305 -14.919 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.038 1.154 -14.533 1.00 0.00 O ATOM 0 H ASP A 62 3.466 4.392 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 62 3.587 3.117 -16.358 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.557 2.212 -13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.534 1.022 -14.761 1.00 0.00 H new ATOM 402 N SER A 63 1.306 2.394 -16.957 1.00 0.00 N ATOM 403 CA SER A 63 -0.010 1.904 -17.350 1.00 0.00 C ATOM 404 C SER A 63 -0.079 0.384 -17.242 1.00 0.00 C ATOM 405 O SER A 63 -1.146 -0.187 -17.024 1.00 0.00 O ATOM 406 CB SER A 63 -0.333 2.340 -18.781 1.00 0.00 C ATOM 407 OG SER A 63 0.599 1.799 -19.701 1.00 0.00 O ATOM 0 H SER A 63 1.911 2.652 -17.737 1.00 0.00 H new ATOM 0 HA SER A 63 -0.747 2.333 -16.671 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.340 2.016 -19.045 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.322 3.428 -18.844 1.00 0.00 H new ATOM 0 HG SER A 63 0.370 2.091 -20.608 1.00 0.00 H new ATOM 413 N GLY A 64 1.071 -0.267 -17.398 1.00 0.00 N ATOM 414 CA GLY A 64 1.121 -1.715 -17.315 1.00 0.00 C ATOM 415 C GLY A 64 0.812 -2.227 -15.922 1.00 0.00 C ATOM 416 O GLY A 64 0.212 -3.290 -15.765 1.00 0.00 O ATOM 0 H GLY A 64 1.968 0.183 -17.580 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.409 -2.141 -18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.111 -2.059 -17.614 1.00 0.00 H new ATOM 420 N GLN A 65 1.223 -1.470 -14.910 1.00 0.00 N ATOM 421 CA GLN A 65 0.988 -1.855 -13.524 1.00 0.00 C ATOM 422 C GLN A 65 -0.379 -1.374 -13.049 1.00 0.00 C ATOM 423 O GLN A 65 -0.663 -0.176 -13.056 1.00 0.00 O ATOM 424 CB GLN A 65 2.084 -1.285 -12.621 1.00 0.00 C ATOM 425 CG GLN A 65 3.461 -1.866 -12.896 1.00 0.00 C ATOM 426 CD GLN A 65 4.422 -1.659 -11.742 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.113 -1.986 -10.595 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.596 -1.114 -12.039 1.00 0.00 N ATOM 0 H GLN A 65 1.720 -0.587 -15.024 1.00 0.00 H new ATOM 0 HA GLN A 65 1.010 -2.943 -13.468 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.123 -0.203 -12.749 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.820 -1.473 -11.580 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.367 -2.933 -13.099 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.873 -1.406 -13.794 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.810 -0.858 -13.003 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.283 -0.951 -11.303 1.00 0.00 H new ATOM 437 N ILE A 66 -1.222 -2.316 -12.639 1.00 0.00 N ATOM 438 CA ILE A 66 -2.560 -1.987 -12.161 1.00 0.00 C ATOM 439 C ILE A 66 -2.620 -2.010 -10.637 1.00 0.00 C ATOM 440 O ILE A 66 -3.425 -1.307 -10.026 1.00 0.00 O ATOM 441 CB ILE A 66 -3.612 -2.962 -12.719 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.322 -4.388 -12.245 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.640 -2.899 -14.239 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.545 -5.277 -12.217 1.00 0.00 C ATOM 0 H ILE A 66 -1.003 -3.312 -12.628 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.784 -0.981 -12.516 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.592 -2.667 -12.344 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.574 -4.834 -12.900 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.889 -4.349 -11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.389 -3.594 -14.618 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.891 -1.887 -14.557 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.661 -3.171 -14.633 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.264 -6.272 -11.871 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.287 -4.854 -11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.967 -5.347 -13.220 1.00 0.00 H new ATOM 456 N LYS A 67 -1.760 -2.820 -10.029 1.00 0.00 N ATOM 457 CA LYS A 67 -1.712 -2.933 -8.576 1.00 0.00 C ATOM 458 C LYS A 67 -0.273 -3.076 -8.089 1.00 0.00 C ATOM 459 O LYS A 67 0.566 -3.671 -8.765 1.00 0.00 O ATOM 460 CB LYS A 67 -2.541 -4.132 -8.109 1.00 0.00 C ATOM 461 CG LYS A 67 -2.005 -5.468 -8.593 1.00 0.00 C ATOM 462 CD LYS A 67 -2.938 -6.609 -8.225 1.00 0.00 C ATOM 463 CE LYS A 67 -2.648 -7.854 -9.051 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.050 -7.681 -10.474 1.00 0.00 N ATOM 0 H LYS A 67 -1.087 -3.408 -10.520 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.132 -2.021 -8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.575 -4.137 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.566 -4.013 -8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.874 -5.438 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.022 -5.646 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.831 -6.841 -7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.972 -6.300 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.584 -8.084 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.179 -8.705 -8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.775 -8.524 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.081 -7.554 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.576 -6.844 -10.869 1.00 0.00 H new ATOM 478 N LYS A 68 0.005 -2.528 -6.911 1.00 0.00 N ATOM 479 CA LYS A 68 1.341 -2.596 -6.331 1.00 0.00 C ATOM 480 C LYS A 68 1.288 -3.130 -4.903 1.00 0.00 C ATOM 481 O LYS A 68 0.670 -2.525 -4.026 1.00 0.00 O ATOM 482 CB LYS A 68 1.997 -1.214 -6.346 1.00 0.00 C ATOM 483 CG LYS A 68 3.495 -1.249 -6.096 1.00 0.00 C ATOM 484 CD LYS A 68 4.182 -0.013 -6.651 1.00 0.00 C ATOM 485 CE LYS A 68 5.690 -0.198 -6.723 1.00 0.00 C ATOM 486 NZ LYS A 68 6.309 -0.237 -5.369 1.00 0.00 N ATOM 0 H LYS A 68 -0.678 -2.031 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 68 1.937 -3.281 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.809 -0.742 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.525 -0.589 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.684 -1.322 -5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.921 -2.141 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.793 0.205 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.949 0.847 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.918 -1.123 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.129 0.616 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.880 0.620 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.562 -0.282 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.918 -1.076 -5.290 1.00 0.00 H new ATOM 500 N LYS A 69 1.941 -4.264 -4.675 1.00 0.00 N ATOM 501 CA LYS A 69 1.971 -4.878 -3.353 1.00 0.00 C ATOM 502 C LYS A 69 3.231 -4.476 -2.595 1.00 0.00 C ATOM 503 O LYS A 69 4.332 -4.494 -3.147 1.00 0.00 O ATOM 504 CB LYS A 69 1.900 -6.402 -3.474 1.00 0.00 C ATOM 505 CG LYS A 69 2.089 -7.127 -2.153 1.00 0.00 C ATOM 506 CD LYS A 69 1.991 -8.633 -2.324 1.00 0.00 C ATOM 507 CE LYS A 69 0.554 -9.116 -2.202 1.00 0.00 C ATOM 508 NZ LYS A 69 0.444 -10.588 -2.400 1.00 0.00 N ATOM 0 H LYS A 69 2.457 -4.777 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 69 1.104 -4.523 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.934 -6.680 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.663 -6.738 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.061 -6.870 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.335 -6.791 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.390 -8.916 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.607 -9.126 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.165 -8.852 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.065 -8.603 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.551 -10.877 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.792 -10.838 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.014 -11.078 -1.682 1.00 0.00 H new ATOM 522 N PHE A 70 3.064 -4.115 -1.327 1.00 0.00 N ATOM 523 CA PHE A 70 4.189 -3.709 -0.493 1.00 0.00 C ATOM 524 C PHE A 70 4.374 -4.671 0.677 1.00 0.00 C ATOM 525 O PHE A 70 3.401 -5.125 1.279 1.00 0.00 O ATOM 526 CB PHE A 70 3.977 -2.287 0.030 1.00 0.00 C ATOM 527 CG PHE A 70 4.061 -1.236 -1.040 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.289 -0.744 -1.452 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.911 -0.740 -1.634 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.369 0.223 -2.437 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.986 0.227 -2.619 1.00 0.00 C ATOM 532 CZ PHE A 70 4.216 0.709 -3.020 1.00 0.00 C ATOM 0 H PHE A 70 2.160 -4.095 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 70 5.090 -3.733 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.001 -2.227 0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.723 -2.075 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.194 -1.120 -0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.946 -1.113 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.332 0.598 -2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.083 0.605 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.276 1.465 -3.789 1.00 0.00 H new ATOM 542 N GLN A 71 5.628 -4.976 0.992 1.00 0.00 N ATOM 543 CA GLN A 71 5.940 -5.885 2.089 1.00 0.00 C ATOM 544 C GLN A 71 5.957 -5.143 3.422 1.00 0.00 C ATOM 545 O GLN A 71 6.463 -4.027 3.533 1.00 0.00 O ATOM 546 CB GLN A 71 7.292 -6.560 1.851 1.00 0.00 C ATOM 547 CG GLN A 71 7.487 -7.833 2.658 1.00 0.00 C ATOM 548 CD GLN A 71 8.819 -8.501 2.382 1.00 0.00 C ATOM 549 OE1 GLN A 71 9.870 -7.860 2.431 1.00 0.00 O ATOM 550 NE2 GLN A 71 8.784 -9.796 2.091 1.00 0.00 N ATOM 0 H GLN A 71 6.444 -4.608 0.504 1.00 0.00 H new ATOM 0 HA GLN A 71 5.163 -6.648 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.391 -6.793 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.088 -5.858 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.415 -7.600 3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.681 -8.530 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.891 -10.288 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.650 -10.299 1.897 1.00 0.00 H new ATOM 559 N PRO A 72 5.389 -5.777 4.459 1.00 0.00 N ATOM 560 CA PRO A 72 5.326 -5.196 5.803 1.00 0.00 C ATOM 561 C PRO A 72 6.696 -5.126 6.470 1.00 0.00 C ATOM 562 O PRO A 72 7.049 -5.986 7.276 1.00 0.00 O ATOM 563 CB PRO A 72 4.411 -6.159 6.563 1.00 0.00 C ATOM 564 CG PRO A 72 4.547 -7.458 5.846 1.00 0.00 C ATOM 565 CD PRO A 72 4.766 -7.110 4.399 1.00 0.00 C ATOM 0 HA PRO A 72 4.966 -4.167 5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.712 -6.250 7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.378 -5.811 6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.383 -8.036 6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.652 -8.068 5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.414 -7.834 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.828 -7.091 3.844 1.00 0.00 H new ATOM 573 N MET A 73 7.464 -4.097 6.127 1.00 0.00 N ATOM 574 CA MET A 73 8.795 -3.914 6.694 1.00 0.00 C ATOM 575 C MET A 73 8.709 -3.399 8.128 1.00 0.00 C ATOM 576 O MET A 73 9.428 -3.868 9.009 1.00 0.00 O ATOM 577 CB MET A 73 9.608 -2.942 5.838 1.00 0.00 C ATOM 578 CG MET A 73 9.938 -3.479 4.455 1.00 0.00 C ATOM 579 SD MET A 73 10.199 -2.169 3.245 1.00 0.00 S ATOM 580 CE MET A 73 8.511 -1.665 2.921 1.00 0.00 C ATOM 0 H MET A 73 7.187 -3.377 5.459 1.00 0.00 H new ATOM 0 HA MET A 73 9.295 -4.883 6.704 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.052 -2.010 5.734 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.536 -2.703 6.357 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.834 -4.097 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.127 -4.124 4.117 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.480 -0.590 2.745 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.138 -2.188 2.041 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.887 -1.910 3.780 1.00 0.00 H new ATOM 590 N ASN A 74 7.826 -2.431 8.352 1.00 0.00 N ATOM 591 CA ASN A 74 7.648 -1.852 9.679 1.00 0.00 C ATOM 592 C ASN A 74 6.175 -1.845 10.076 1.00 0.00 C ATOM 593 O ASN A 74 5.308 -2.241 9.296 1.00 0.00 O ATOM 594 CB ASN A 74 8.204 -0.427 9.714 1.00 0.00 C ATOM 595 CG ASN A 74 8.568 0.016 11.118 1.00 0.00 C ATOM 596 OD1 ASN A 74 9.374 -0.625 11.794 1.00 0.00 O ATOM 597 ND2 ASN A 74 7.975 1.118 11.563 1.00 0.00 N ATOM 0 H ASN A 74 7.223 -2.031 7.633 1.00 0.00 H new ATOM 0 HA ASN A 74 8.195 -2.467 10.394 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.086 -0.368 9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.465 0.259 9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.181 1.465 12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.314 1.617 10.968 1.00 0.00 H new ATOM 604 N LYS A 75 5.898 -1.392 11.294 1.00 0.00 N ATOM 605 CA LYS A 75 4.530 -1.330 11.795 1.00 0.00 C ATOM 606 C LYS A 75 3.864 -0.017 11.400 1.00 0.00 C ATOM 607 O LYS A 75 2.672 0.018 11.094 1.00 0.00 O ATOM 608 CB LYS A 75 4.517 -1.483 13.318 1.00 0.00 C ATOM 609 CG LYS A 75 3.124 -1.659 13.899 1.00 0.00 C ATOM 610 CD LYS A 75 3.173 -1.913 15.397 1.00 0.00 C ATOM 611 CE LYS A 75 1.985 -2.741 15.860 1.00 0.00 C ATOM 612 NZ LYS A 75 2.143 -4.181 15.513 1.00 0.00 N ATOM 0 H LYS A 75 6.603 -1.062 11.953 1.00 0.00 H new ATOM 0 HA LYS A 75 3.968 -2.150 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.128 -2.342 13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.981 -0.605 13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.530 -0.767 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.625 -2.492 13.404 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.099 -2.430 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.184 -0.961 15.928 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.869 -2.638 16.939 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.074 -2.355 15.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.205 -4.614 15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.680 -4.268 14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.655 -4.668 16.276 1.00 0.00 H new ATOM 626 N ILE A 76 4.641 1.061 11.407 1.00 0.00 N ATOM 627 CA ILE A 76 4.126 2.376 11.046 1.00 0.00 C ATOM 628 C ILE A 76 4.244 2.620 9.546 1.00 0.00 C ATOM 629 O ILE A 76 3.350 3.199 8.929 1.00 0.00 O ATOM 630 CB ILE A 76 4.868 3.497 11.797 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.768 3.281 13.309 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.303 4.856 11.413 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.373 3.481 13.857 1.00 0.00 C ATOM 0 H ILE A 76 5.629 1.050 11.659 1.00 0.00 H new ATOM 0 HA ILE A 76 3.074 2.392 11.333 1.00 0.00 H new ATOM 0 HB ILE A 76 5.920 3.469 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.101 2.271 13.546 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.449 3.968 13.812 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.838 5.638 11.952 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.421 5.009 10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.245 4.896 11.671 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.377 3.312 14.934 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.044 4.499 13.651 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.691 2.776 13.382 1.00 0.00 H new ATOM 645 N GLU A 77 5.352 2.173 8.964 1.00 0.00 N ATOM 646 CA GLU A 77 5.587 2.342 7.535 1.00 0.00 C ATOM 647 C GLU A 77 4.288 2.188 6.749 1.00 0.00 C ATOM 648 O GLU A 77 4.041 2.918 5.788 1.00 0.00 O ATOM 649 CB GLU A 77 6.618 1.326 7.041 1.00 0.00 C ATOM 650 CG GLU A 77 8.056 1.790 7.204 1.00 0.00 C ATOM 651 CD GLU A 77 8.287 2.525 8.510 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.713 3.621 8.683 1.00 0.00 O ATOM 653 OE2 GLU A 77 9.041 2.005 9.359 1.00 0.00 O ATOM 0 H GLU A 77 6.101 1.691 9.460 1.00 0.00 H new ATOM 0 HA GLU A 77 5.973 3.348 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.483 0.391 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.431 1.113 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.720 0.927 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.320 2.443 6.372 1.00 0.00 H new ATOM 660 N ARG A 78 3.462 1.233 7.164 1.00 0.00 N ATOM 661 CA ARG A 78 2.189 0.982 6.498 1.00 0.00 C ATOM 662 C ARG A 78 1.334 2.245 6.464 1.00 0.00 C ATOM 663 O ARG A 78 0.941 2.712 5.396 1.00 0.00 O ATOM 664 CB ARG A 78 1.431 -0.141 7.209 1.00 0.00 C ATOM 665 CG ARG A 78 0.552 -0.964 6.281 1.00 0.00 C ATOM 666 CD ARG A 78 -0.639 -1.555 7.020 1.00 0.00 C ATOM 667 NE ARG A 78 -0.226 -2.357 8.169 1.00 0.00 N ATOM 668 CZ ARG A 78 -1.001 -2.582 9.224 1.00 0.00 C ATOM 669 NH1 ARG A 78 -2.222 -2.068 9.276 1.00 0.00 N ATOM 670 NH2 ARG A 78 -0.555 -3.323 10.231 1.00 0.00 N ATOM 0 H ARG A 78 3.651 0.621 7.958 1.00 0.00 H new ATOM 0 HA ARG A 78 2.398 0.678 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.149 -0.801 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.811 0.291 7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.199 -0.337 5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.141 -1.767 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.293 -0.750 7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.220 -2.174 6.336 1.00 0.00 H new ATOM 0 HE ARG A 78 0.708 -2.766 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.569 -1.498 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.815 -2.243 10.088 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.384 -3.720 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.151 -3.495 11.041 1.00 0.00 H new ATOM 684 N SER A 79 1.050 2.793 7.642 1.00 0.00 N ATOM 685 CA SER A 79 0.238 3.999 7.747 1.00 0.00 C ATOM 686 C SER A 79 0.803 5.113 6.871 1.00 0.00 C ATOM 687 O SER A 79 0.091 5.696 6.053 1.00 0.00 O ATOM 688 CB SER A 79 0.167 4.466 9.203 1.00 0.00 C ATOM 689 OG SER A 79 -1.038 5.168 9.455 1.00 0.00 O ATOM 0 H SER A 79 1.370 2.421 8.536 1.00 0.00 H new ATOM 0 HA SER A 79 -0.767 3.762 7.399 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.236 3.605 9.868 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.019 5.109 9.424 1.00 0.00 H new ATOM 0 HG SER A 79 -1.060 5.454 10.392 1.00 0.00 H new ATOM 695 N ILE A 80 2.087 5.403 7.049 1.00 0.00 N ATOM 696 CA ILE A 80 2.749 6.445 6.275 1.00 0.00 C ATOM 697 C ILE A 80 2.501 6.262 4.781 1.00 0.00 C ATOM 698 O ILE A 80 2.155 7.211 4.077 1.00 0.00 O ATOM 699 CB ILE A 80 4.267 6.461 6.534 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.550 6.635 8.027 1.00 0.00 C ATOM 701 CG2 ILE A 80 4.930 7.571 5.731 1.00 0.00 C ATOM 702 CD1 ILE A 80 5.932 6.178 8.438 1.00 0.00 C ATOM 0 H ILE A 80 2.690 4.931 7.723 1.00 0.00 H new ATOM 0 HA ILE A 80 2.324 7.395 6.598 1.00 0.00 H new ATOM 0 HB ILE A 80 4.685 5.507 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.430 7.686 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.807 6.077 8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.003 7.569 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.753 7.407 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.510 8.533 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.062 6.331 9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.049 5.119 8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.682 6.754 7.895 1.00 0.00 H new ATOM 714 N LEU A 81 2.679 5.035 4.304 1.00 0.00 N ATOM 715 CA LEU A 81 2.473 4.725 2.894 1.00 0.00 C ATOM 716 C LEU A 81 1.047 5.058 2.466 1.00 0.00 C ATOM 717 O LEU A 81 0.823 5.602 1.384 1.00 0.00 O ATOM 718 CB LEU A 81 2.765 3.247 2.628 1.00 0.00 C ATOM 719 CG LEU A 81 2.284 2.699 1.283 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.006 3.390 0.137 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.492 1.193 1.217 1.00 0.00 C ATOM 0 H LEU A 81 2.966 4.239 4.873 1.00 0.00 H new ATOM 0 HA LEU A 81 3.161 5.336 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.842 3.092 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.307 2.658 3.422 1.00 0.00 H new ATOM 0 HG LEU A 81 1.217 2.903 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.651 2.988 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.806 4.461 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.079 3.217 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.145 0.820 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.552 0.967 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.929 0.713 2.017 1.00 0.00 H new ATOM 733 N HIS A 82 0.085 4.730 3.323 1.00 0.00 N ATOM 734 CA HIS A 82 -1.319 4.997 3.035 1.00 0.00 C ATOM 735 C HIS A 82 -1.541 6.477 2.736 1.00 0.00 C ATOM 736 O HIS A 82 -2.195 6.831 1.755 1.00 0.00 O ATOM 737 CB HIS A 82 -2.194 4.566 4.212 1.00 0.00 C ATOM 738 CG HIS A 82 -2.424 3.088 4.278 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.290 2.422 3.436 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.894 2.145 5.091 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.283 1.134 3.729 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.444 0.939 4.730 1.00 0.00 N ATOM 0 H HIS A 82 0.253 4.279 4.222 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.599 4.420 2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.727 4.894 5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.157 5.072 4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.173 2.310 5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.865 0.370 3.234 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.238 0.039 5.164 1.00 0.00 H new ATOM 750 N ASP A 83 -0.992 7.336 3.588 1.00 0.00 N ATOM 751 CA ASP A 83 -1.130 8.778 3.415 1.00 0.00 C ATOM 752 C ASP A 83 -0.567 9.219 2.068 1.00 0.00 C ATOM 753 O ASP A 83 -1.204 9.977 1.336 1.00 0.00 O ATOM 754 CB ASP A 83 -0.416 9.519 4.547 1.00 0.00 C ATOM 755 CG ASP A 83 -0.799 10.984 4.611 1.00 0.00 C ATOM 756 OD1 ASP A 83 -2.008 11.278 4.722 1.00 0.00 O ATOM 757 OD2 ASP A 83 0.111 11.838 4.550 1.00 0.00 O ATOM 0 H ASP A 83 -0.448 7.059 4.405 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.192 9.023 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.655 9.042 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.662 9.434 4.410 1.00 0.00 H new ATOM 762 N VAL A 84 0.631 8.741 1.747 1.00 0.00 N ATOM 763 CA VAL A 84 1.279 9.087 0.487 1.00 0.00 C ATOM 764 C VAL A 84 0.410 8.699 -0.703 1.00 0.00 C ATOM 765 O VAL A 84 0.356 9.412 -1.705 1.00 0.00 O ATOM 766 CB VAL A 84 2.650 8.397 0.354 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.288 8.731 -0.985 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.562 8.798 1.504 1.00 0.00 C ATOM 0 H VAL A 84 1.172 8.113 2.342 1.00 0.00 H new ATOM 0 HA VAL A 84 1.422 10.168 0.491 1.00 0.00 H new ATOM 0 HB VAL A 84 2.500 7.318 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.256 8.235 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.640 8.389 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.426 9.809 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.526 8.301 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.707 9.878 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.107 8.502 2.449 1.00 0.00 H new ATOM 778 N VAL A 85 -0.272 7.563 -0.587 1.00 0.00 N ATOM 779 CA VAL A 85 -1.141 7.080 -1.653 1.00 0.00 C ATOM 780 C VAL A 85 -2.372 7.968 -1.803 1.00 0.00 C ATOM 781 O VAL A 85 -2.589 8.572 -2.852 1.00 0.00 O ATOM 782 CB VAL A 85 -1.595 5.632 -1.394 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.489 5.142 -2.523 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.390 4.719 -1.223 1.00 0.00 C ATOM 0 H VAL A 85 -0.239 6.960 0.235 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.559 7.111 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.173 5.611 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.800 4.117 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.369 5.781 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.939 5.177 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.729 3.699 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.216 4.743 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.207 5.059 -0.377 1.00 0.00 H new ATOM 794 N GLU A 86 -3.174 8.042 -0.745 1.00 0.00 N ATOM 795 CA GLU A 86 -4.383 8.856 -0.760 1.00 0.00 C ATOM 796 C GLU A 86 -4.102 10.238 -1.342 1.00 0.00 C ATOM 797 O GLU A 86 -4.958 10.835 -1.996 1.00 0.00 O ATOM 798 CB GLU A 86 -4.950 8.993 0.655 1.00 0.00 C ATOM 799 CG GLU A 86 -4.203 9.997 1.516 1.00 0.00 C ATOM 800 CD GLU A 86 -5.012 10.454 2.714 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.012 9.738 3.738 1.00 0.00 O ATOM 802 OE2 GLU A 86 -5.644 11.528 2.628 1.00 0.00 O ATOM 0 H GLU A 86 -3.008 7.548 0.132 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.118 8.357 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.997 9.290 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.925 8.019 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.270 9.551 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.937 10.863 0.910 1.00 0.00 H new ATOM 809 N VAL A 87 -2.896 10.742 -1.100 1.00 0.00 N ATOM 810 CA VAL A 87 -2.500 12.053 -1.600 1.00 0.00 C ATOM 811 C VAL A 87 -2.211 12.006 -3.096 1.00 0.00 C ATOM 812 O VAL A 87 -2.565 12.922 -3.836 1.00 0.00 O ATOM 813 CB VAL A 87 -1.255 12.582 -0.864 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.816 13.916 -1.448 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.531 12.707 0.627 1.00 0.00 C ATOM 0 H VAL A 87 -2.176 10.262 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.336 12.728 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.442 11.868 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.065 14.274 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.575 13.790 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.623 14.642 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.641 13.082 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.358 13.399 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.793 11.729 1.032 1.00 0.00 H new ATOM 825 N ALA A 88 -1.564 10.930 -3.535 1.00 0.00 N ATOM 826 CA ALA A 88 -1.229 10.762 -4.943 1.00 0.00 C ATOM 827 C ALA A 88 -2.487 10.635 -5.795 1.00 0.00 C ATOM 828 O ALA A 88 -2.518 11.073 -6.945 1.00 0.00 O ATOM 829 CB ALA A 88 -0.337 9.544 -5.132 1.00 0.00 C ATOM 0 H ALA A 88 -1.262 10.162 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.688 11.650 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.095 9.431 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.582 9.674 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.859 8.653 -4.782 1.00 0.00 H new ATOM 835 N GLY A 89 -3.525 10.032 -5.224 1.00 0.00 N ATOM 836 CA GLY A 89 -4.772 9.857 -5.947 1.00 0.00 C ATOM 837 C GLY A 89 -5.016 8.414 -6.341 1.00 0.00 C ATOM 838 O GLY A 89 -5.542 8.138 -7.420 1.00 0.00 O ATOM 0 H GLY A 89 -3.525 9.661 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.599 10.206 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.759 10.478 -6.843 1.00 0.00 H new ATOM 842 N LEU A 90 -4.633 7.490 -5.467 1.00 0.00 N ATOM 843 CA LEU A 90 -4.811 6.067 -5.731 1.00 0.00 C ATOM 844 C LEU A 90 -5.548 5.388 -4.580 1.00 0.00 C ATOM 845 O LEU A 90 -5.710 5.966 -3.505 1.00 0.00 O ATOM 846 CB LEU A 90 -3.455 5.394 -5.949 1.00 0.00 C ATOM 847 CG LEU A 90 -2.645 5.890 -7.148 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.218 5.371 -7.079 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.307 5.466 -8.451 1.00 0.00 C ATOM 0 H LEU A 90 -4.197 7.701 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.411 5.963 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.855 5.530 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.618 4.322 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.615 6.979 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.657 5.734 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.746 5.725 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.227 4.281 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.717 5.828 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.368 4.378 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.311 5.888 -8.503 1.00 0.00 H new ATOM 861 N THR A 91 -5.993 4.157 -4.813 1.00 0.00 N ATOM 862 CA THR A 91 -6.712 3.399 -3.796 1.00 0.00 C ATOM 863 C THR A 91 -5.754 2.568 -2.950 1.00 0.00 C ATOM 864 O THR A 91 -4.964 1.785 -3.478 1.00 0.00 O ATOM 865 CB THR A 91 -7.761 2.466 -4.429 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.746 3.238 -5.125 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.436 1.612 -3.366 1.00 0.00 C ATOM 0 H THR A 91 -5.868 3.664 -5.697 1.00 0.00 H new ATOM 0 HA THR A 91 -7.218 4.125 -3.159 1.00 0.00 H new ATOM 0 HB THR A 91 -7.253 1.807 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.409 2.638 -5.526 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.173 0.961 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.687 1.005 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.932 2.258 -2.641 1.00 0.00 H new ATOM 875 N SER A 92 -5.829 2.743 -1.635 1.00 0.00 N ATOM 876 CA SER A 92 -4.966 2.011 -0.715 1.00 0.00 C ATOM 877 C SER A 92 -5.778 1.039 0.135 1.00 0.00 C ATOM 878 O SER A 92 -6.960 1.264 0.397 1.00 0.00 O ATOM 879 CB SER A 92 -4.206 2.984 0.188 1.00 0.00 C ATOM 880 OG SER A 92 -5.100 3.812 0.912 1.00 0.00 O ATOM 0 H SER A 92 -6.479 3.386 -1.182 1.00 0.00 H new ATOM 0 HA SER A 92 -4.250 1.439 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.579 2.426 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.541 3.602 -0.416 1.00 0.00 H new ATOM 0 HG SER A 92 -4.590 4.424 1.483 1.00 0.00 H new ATOM 886 N PHE A 93 -5.136 -0.043 0.562 1.00 0.00 N ATOM 887 CA PHE A 93 -5.797 -1.051 1.382 1.00 0.00 C ATOM 888 C PHE A 93 -4.774 -1.926 2.099 1.00 0.00 C ATOM 889 O PHE A 93 -3.604 -1.970 1.719 1.00 0.00 O ATOM 890 CB PHE A 93 -6.712 -1.921 0.518 1.00 0.00 C ATOM 891 CG PHE A 93 -8.088 -1.346 0.334 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.997 -1.344 1.380 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.471 -0.808 -0.884 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.264 -0.816 1.213 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.737 -0.279 -1.056 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.633 -0.282 -0.006 1.00 0.00 C ATOM 0 H PHE A 93 -4.158 -0.244 0.354 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.397 -0.536 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.251 -2.059 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.797 -2.908 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.713 -1.759 2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.773 -0.802 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.964 -0.821 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.024 0.136 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.621 0.133 -0.138 1.00 0.00 H new ATOM 906 N SER A 94 -5.223 -2.621 3.139 1.00 0.00 N ATOM 907 CA SER A 94 -4.347 -3.492 3.913 1.00 0.00 C ATOM 908 C SER A 94 -4.888 -4.918 3.946 1.00 0.00 C ATOM 909 O SER A 94 -6.029 -5.152 4.346 1.00 0.00 O ATOM 910 CB SER A 94 -4.194 -2.959 5.340 1.00 0.00 C ATOM 911 OG SER A 94 -3.686 -1.636 5.338 1.00 0.00 O ATOM 0 H SER A 94 -6.189 -2.598 3.465 1.00 0.00 H new ATOM 0 HA SER A 94 -3.370 -3.504 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.160 -2.980 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.525 -3.608 5.904 1.00 0.00 H new ATOM 0 HG SER A 94 -3.599 -1.318 6.261 1.00 0.00 H new ATOM 917 N PHE A 95 -4.062 -5.868 3.522 1.00 0.00 N ATOM 918 CA PHE A 95 -4.457 -7.271 3.502 1.00 0.00 C ATOM 919 C PHE A 95 -3.350 -8.156 4.068 1.00 0.00 C ATOM 920 O PHE A 95 -2.210 -8.115 3.608 1.00 0.00 O ATOM 921 CB PHE A 95 -4.793 -7.707 2.074 1.00 0.00 C ATOM 922 CG PHE A 95 -5.724 -6.767 1.364 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.059 -6.688 1.725 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.263 -5.960 0.335 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.918 -5.824 1.072 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.117 -5.094 -0.321 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.446 -5.025 0.049 1.00 0.00 C ATOM 0 H PHE A 95 -3.115 -5.692 3.188 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.343 -7.382 4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.869 -7.792 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.243 -8.699 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.433 -7.309 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.224 -6.009 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.957 -5.774 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.746 -4.472 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.115 -4.347 -0.461 1.00 0.00 H new ATOM 937 N GLY A 96 -3.696 -8.956 5.072 1.00 0.00 N ATOM 938 CA GLY A 96 -2.721 -9.839 5.686 1.00 0.00 C ATOM 939 C GLY A 96 -3.286 -11.217 5.972 1.00 0.00 C ATOM 940 O GLY A 96 -4.474 -11.359 6.258 1.00 0.00 O ATOM 0 H GLY A 96 -4.633 -9.009 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.856 -9.933 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.368 -9.394 6.616 1.00 0.00 H new ATOM 944 N GLU A 97 -2.433 -12.233 5.893 1.00 0.00 N ATOM 945 CA GLU A 97 -2.855 -13.606 6.143 1.00 0.00 C ATOM 946 C GLU A 97 -2.951 -13.881 7.641 1.00 0.00 C ATOM 947 O GLU A 97 -3.916 -14.484 8.112 1.00 0.00 O ATOM 948 CB GLU A 97 -1.880 -14.590 5.494 1.00 0.00 C ATOM 949 CG GLU A 97 -2.453 -15.985 5.312 1.00 0.00 C ATOM 950 CD GLU A 97 -1.557 -16.880 4.477 1.00 0.00 C ATOM 951 OE1 GLU A 97 -0.422 -17.158 4.916 1.00 0.00 O ATOM 952 OE2 GLU A 97 -1.992 -17.301 3.385 1.00 0.00 O ATOM 0 H GLU A 97 -1.446 -12.131 5.658 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.843 -13.741 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.578 -14.201 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.980 -14.653 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.606 -16.441 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.432 -15.913 4.837 1.00 0.00 H new ATOM 959 N ASP A 98 -1.944 -13.436 8.384 1.00 0.00 N ATOM 960 CA ASP A 98 -1.914 -13.633 9.829 1.00 0.00 C ATOM 961 C ASP A 98 -1.951 -12.295 10.561 1.00 0.00 C ATOM 962 O ASP A 98 -1.348 -11.317 10.118 1.00 0.00 O ATOM 963 CB ASP A 98 -0.663 -14.415 10.232 1.00 0.00 C ATOM 964 CG ASP A 98 -0.879 -15.252 11.477 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.733 -14.872 12.307 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.196 -16.287 11.622 1.00 0.00 O ATOM 0 H ASP A 98 -1.137 -12.936 8.010 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.798 -14.205 10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.363 -15.064 9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.158 -13.718 10.404 1.00 0.00 H new ATOM 971 N ASP A 99 -2.663 -12.260 11.682 1.00 0.00 N ATOM 972 CA ASP A 99 -2.779 -11.042 12.475 1.00 0.00 C ATOM 973 C ASP A 99 -1.424 -10.357 12.621 1.00 0.00 C ATOM 974 O ASP A 99 -1.303 -9.149 12.415 1.00 0.00 O ATOM 975 CB ASP A 99 -3.355 -11.361 13.856 1.00 0.00 C ATOM 976 CG ASP A 99 -4.626 -12.184 13.778 1.00 0.00 C ATOM 977 OD1 ASP A 99 -5.685 -11.610 13.448 1.00 0.00 O ATOM 978 OD2 ASP A 99 -4.561 -13.402 14.045 1.00 0.00 O ATOM 0 H ASP A 99 -3.168 -13.061 12.062 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.455 -10.362 11.956 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.611 -11.902 14.441 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.560 -10.430 14.385 1.00 0.00 H new ATOM 983 N ASP A 100 -0.409 -11.135 12.979 1.00 0.00 N ATOM 984 CA ASP A 100 0.938 -10.604 13.153 1.00 0.00 C ATOM 985 C ASP A 100 1.502 -10.109 11.825 1.00 0.00 C ATOM 986 O ASP A 100 2.126 -9.050 11.761 1.00 0.00 O ATOM 987 CB ASP A 100 1.858 -11.672 13.746 1.00 0.00 C ATOM 988 CG ASP A 100 1.830 -12.965 12.954 1.00 0.00 C ATOM 989 OD1 ASP A 100 0.745 -13.575 12.851 1.00 0.00 O ATOM 990 OD2 ASP A 100 2.893 -13.366 12.437 1.00 0.00 O ATOM 0 H ASP A 100 -0.493 -12.136 13.155 1.00 0.00 H new ATOM 0 HA ASP A 100 0.884 -9.761 13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.879 -11.291 13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.560 -11.873 14.775 1.00 0.00 H new ATOM 995 N CYS A 101 1.280 -10.883 10.768 1.00 0.00 N ATOM 996 CA CYS A 101 1.768 -10.525 9.441 1.00 0.00 C ATOM 997 C CYS A 101 0.686 -9.809 8.639 1.00 0.00 C ATOM 998 O CYS A 101 -0.269 -10.431 8.173 1.00 0.00 O ATOM 999 CB CYS A 101 2.233 -11.774 8.692 1.00 0.00 C ATOM 1000 SG CYS A 101 3.270 -11.427 7.252 1.00 0.00 S ATOM 0 H CYS A 101 0.765 -11.763 10.804 1.00 0.00 H new ATOM 0 HA CYS A 101 2.613 -9.847 9.562 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.787 -12.412 9.380 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.358 -12.338 8.369 1.00 0.00 H new ATOM 0 HG CYS A 101 3.615 -12.545 6.686 1.00 0.00 H new ATOM 1006 N ARG A 102 0.841 -8.498 8.484 1.00 0.00 N ATOM 1007 CA ARG A 102 -0.124 -7.697 7.741 1.00 0.00 C ATOM 1008 C ARG A 102 0.580 -6.810 6.718 1.00 0.00 C ATOM 1009 O ARG A 102 1.265 -5.853 7.078 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.948 -6.835 8.699 1.00 0.00 C ATOM 1011 CG ARG A 102 -2.298 -6.419 8.136 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.344 -6.297 9.233 1.00 0.00 C ATOM 1013 NE ARG A 102 -3.100 -5.145 10.096 1.00 0.00 N ATOM 1014 CZ ARG A 102 -4.043 -4.564 10.830 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -5.285 -5.026 10.806 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -3.743 -3.519 11.592 1.00 0.00 N ATOM 0 H ARG A 102 1.626 -7.968 8.863 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.791 -8.376 7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.105 -7.386 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.378 -5.941 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.199 -5.465 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.627 -7.150 7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.333 -6.210 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.347 -7.206 9.834 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.154 -4.765 10.138 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.519 -5.830 10.223 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.007 -4.578 11.371 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.788 -3.161 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.468 -3.074 12.155 1.00 0.00 H new ATOM 1030 N TYR A 103 0.405 -7.134 5.442 1.00 0.00 N ATOM 1031 CA TYR A 103 1.025 -6.369 4.367 1.00 0.00 C ATOM 1032 C TYR A 103 0.069 -5.306 3.834 1.00 0.00 C ATOM 1033 O TYR A 103 -1.130 -5.337 4.111 1.00 0.00 O ATOM 1034 CB TYR A 103 1.454 -7.300 3.232 1.00 0.00 C ATOM 1035 CG TYR A 103 0.299 -8.008 2.560 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.526 -7.338 1.665 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.035 -9.347 2.818 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.583 -7.981 1.050 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -1.019 -9.998 2.206 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.825 -9.311 1.323 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.875 -9.955 0.711 1.00 0.00 O ATOM 0 H TYR A 103 -0.161 -7.922 5.127 1.00 0.00 H new ATOM 0 HA TYR A 103 1.906 -5.870 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.999 -6.722 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.146 -8.044 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.338 -6.297 1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.664 -9.889 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.217 -7.445 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.211 -11.039 2.418 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.907 -10.887 1.011 1.00 0.00 H new ATOM 1051 N VAL A 104 0.610 -4.365 3.066 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.193 -3.292 2.492 1.00 0.00 C ATOM 1053 C VAL A 104 -0.170 -3.344 0.968 1.00 0.00 C ATOM 1054 O VAL A 104 0.884 -3.522 0.359 1.00 0.00 O ATOM 1055 CB VAL A 104 0.303 -1.910 2.955 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.696 -1.632 2.409 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.672 -0.823 2.528 1.00 0.00 C ATOM 0 H VAL A 104 1.601 -4.324 2.827 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.215 -3.439 2.843 1.00 0.00 H new ATOM 0 HB VAL A 104 0.358 -1.909 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.030 -0.651 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.387 -2.394 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.670 -1.651 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.305 0.147 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.762 -0.821 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.649 -1.015 2.972 1.00 0.00 H new ATOM 1067 N MET A 105 -1.341 -3.187 0.359 1.00 0.00 N ATOM 1068 CA MET A 105 -1.455 -3.214 -1.095 1.00 0.00 C ATOM 1069 C MET A 105 -2.151 -1.958 -1.609 1.00 0.00 C ATOM 1070 O MET A 105 -2.821 -1.255 -0.852 1.00 0.00 O ATOM 1071 CB MET A 105 -2.223 -4.458 -1.545 1.00 0.00 C ATOM 1072 CG MET A 105 -1.382 -5.724 -1.547 1.00 0.00 C ATOM 1073 SD MET A 105 -2.216 -7.110 -2.343 1.00 0.00 S ATOM 1074 CE MET A 105 -2.260 -6.548 -4.043 1.00 0.00 C ATOM 0 H MET A 105 -2.223 -3.040 0.849 1.00 0.00 H new ATOM 0 HA MET A 105 -0.449 -3.247 -1.513 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.081 -4.603 -0.888 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.614 -4.290 -2.548 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.440 -5.529 -2.059 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.136 -5.994 -0.520 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.291 -6.343 -4.332 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.668 -5.638 -4.141 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.848 -7.321 -4.692 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.988 -1.682 -2.899 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.602 -0.512 -3.513 1.00 0.00 C ATOM 1086 C ILE A 106 -3.133 -0.836 -4.905 1.00 0.00 C ATOM 1087 O ILE A 106 -2.585 -1.685 -5.608 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.606 0.658 -3.616 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.413 0.266 -4.490 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -1.138 1.078 -2.230 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.277 1.447 -5.136 1.00 0.00 C ATOM 0 H ILE A 106 -1.436 -2.253 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.431 -0.217 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.110 1.505 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.309 -0.278 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.752 -0.417 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.434 1.906 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.996 1.393 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.648 0.236 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.113 1.094 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.431 1.979 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.647 2.120 -4.362 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.203 -0.153 -5.298 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.809 -0.367 -6.607 1.00 0.00 C ATOM 1105 C PHE A 107 -5.019 0.958 -7.333 1.00 0.00 C ATOM 1106 O PHE A 107 -4.902 2.031 -6.739 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.144 -1.099 -6.462 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.005 -2.506 -5.953 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.481 -2.752 -4.694 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.398 -3.581 -6.734 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.351 -4.046 -4.224 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.270 -4.876 -6.269 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.747 -5.109 -5.012 1.00 0.00 C ATOM 0 H PHE A 107 -4.668 0.554 -4.728 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.129 -0.981 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.785 -0.537 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.645 -1.119 -7.430 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.171 -1.924 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.809 -3.405 -7.717 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.940 -4.225 -3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.579 -5.705 -6.888 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.648 -6.120 -4.646 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.330 0.877 -8.622 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.558 2.069 -9.431 1.00 0.00 C ATOM 1125 C LYS A 108 -7.031 2.466 -9.413 1.00 0.00 C ATOM 1126 O LYS A 108 -7.891 1.682 -9.010 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.102 1.827 -10.872 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.653 2.206 -11.123 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.341 2.265 -12.609 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.142 3.157 -12.892 1.00 0.00 C ATOM 1131 NZ LYS A 108 -1.908 3.325 -14.353 1.00 0.00 N ATOM 0 H LYS A 108 -5.430 -0.002 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.975 2.885 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.241 0.774 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.740 2.397 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.445 3.175 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.998 1.480 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.143 1.259 -12.981 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.210 2.640 -13.150 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.300 4.134 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.253 2.728 -12.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.961 2.971 -14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.624 2.789 -14.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.975 4.333 -14.602 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.315 3.687 -9.853 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.684 4.187 -9.890 1.00 0.00 C ATOM 1147 C LYS A 109 -9.570 3.286 -10.744 1.00 0.00 C ATOM 1148 O LYS A 109 -10.699 2.973 -10.367 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.712 5.616 -10.437 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.106 6.216 -10.500 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.098 7.575 -11.180 1.00 0.00 C ATOM 1152 CE LYS A 109 -9.497 8.645 -10.281 1.00 0.00 C ATOM 1153 NZ LYS A 109 -8.958 9.790 -11.066 1.00 0.00 N ATOM 0 H LYS A 109 -6.615 4.349 -10.189 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.072 4.187 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.082 6.248 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.277 5.622 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.769 5.541 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.506 6.315 -9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.528 7.516 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.117 7.854 -11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.257 9.006 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.699 8.209 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.557 10.498 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.215 9.450 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.725 10.223 -11.620 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.050 2.873 -11.896 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.795 2.007 -12.803 1.00 0.00 C ATOM 1169 C GLU A 110 -9.668 0.545 -12.386 1.00 0.00 C ATOM 1170 O GLU A 110 -10.631 -0.218 -12.455 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.295 2.185 -14.238 1.00 0.00 C ATOM 1172 CG GLU A 110 -7.836 2.598 -14.328 1.00 0.00 C ATOM 1173 CD GLU A 110 -7.249 2.368 -15.707 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -6.930 1.205 -16.031 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -7.108 3.352 -16.463 1.00 0.00 O ATOM 0 H GLU A 110 -8.117 3.124 -12.223 1.00 0.00 H new ATOM 0 HA GLU A 110 -10.846 2.290 -12.754 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.433 1.250 -14.780 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.908 2.936 -14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -7.744 3.653 -14.069 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.258 2.038 -13.593 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.471 0.161 -11.953 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.216 -1.210 -11.527 1.00 0.00 C ATOM 1184 C PHE A 111 -8.482 -1.373 -10.033 1.00 0.00 C ATOM 1185 O PHE A 111 -8.026 -2.333 -9.412 1.00 0.00 O ATOM 1186 CB PHE A 111 -6.773 -1.606 -11.846 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.402 -1.409 -13.288 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.102 -2.057 -14.292 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.354 -0.573 -13.639 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.762 -1.878 -15.620 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.010 -0.390 -14.965 1.00 0.00 C ATOM 1192 CZ PHE A 111 -5.716 -1.042 -15.957 1.00 0.00 C ATOM 0 H PHE A 111 -7.663 0.780 -11.888 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.894 -1.866 -12.073 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.098 -1.020 -11.222 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.625 -2.653 -11.581 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.923 -2.710 -14.035 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.800 -0.059 -12.868 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.314 -2.392 -16.393 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.190 0.262 -15.225 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.451 -0.898 -16.994 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.222 -0.428 -9.463 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.550 -0.467 -8.044 1.00 0.00 C ATOM 1204 C ALA A 112 -10.536 -1.589 -7.738 1.00 0.00 C ATOM 1205 O ALA A 112 -11.418 -1.907 -8.536 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.116 0.872 -7.596 1.00 0.00 C ATOM 0 H ALA A 112 -9.606 0.374 -9.963 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.632 -0.665 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.357 0.828 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.378 1.655 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.020 1.093 -8.164 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.386 -2.205 -6.556 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.255 -3.302 -6.119 1.00 0.00 C ATOM 1214 C PRO A 113 -12.670 -2.830 -5.803 1.00 0.00 C ATOM 1215 O PRO A 113 -12.886 -1.663 -5.475 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.567 -3.815 -4.852 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.794 -2.649 -4.341 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.356 -1.878 -5.556 1.00 0.00 C ATOM 0 HA PRO A 113 -11.375 -4.060 -6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.295 -4.159 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.912 -4.658 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.408 -2.030 -3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.935 -2.977 -3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.313 -0.807 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.363 -2.181 -5.888 1.00 0.00 H new ATOM 1226 N SER A 114 -13.630 -3.743 -5.905 1.00 0.00 N ATOM 1227 CA SER A 114 -15.026 -3.419 -5.633 1.00 0.00 C ATOM 1228 C SER A 114 -15.355 -3.628 -4.158 1.00 0.00 C ATOM 1229 O SER A 114 -14.605 -4.279 -3.430 1.00 0.00 O ATOM 1230 CB SER A 114 -15.949 -4.277 -6.501 1.00 0.00 C ATOM 1231 OG SER A 114 -16.179 -3.667 -7.759 1.00 0.00 O ATOM 0 H SER A 114 -13.467 -4.713 -6.174 1.00 0.00 H new ATOM 0 HA SER A 114 -15.184 -2.368 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.505 -5.262 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.899 -4.429 -5.988 1.00 0.00 H new ATOM 0 HG SER A 114 -16.770 -4.236 -8.295 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.481 -3.072 -3.726 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.911 -3.197 -2.338 1.00 0.00 C ATOM 1239 C ASP A 115 -16.999 -4.664 -1.927 1.00 0.00 C ATOM 1240 O ASP A 115 -16.224 -5.131 -1.092 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.267 -2.517 -2.139 1.00 0.00 C ATOM 1242 CG ASP A 115 -19.053 -3.119 -0.991 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -18.783 -2.751 0.171 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.939 -3.960 -1.255 1.00 0.00 O ATOM 0 H ASP A 115 -17.112 -2.531 -4.316 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.170 -2.705 -1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.113 -1.454 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.849 -2.599 -3.057 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.948 -5.383 -2.518 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.137 -6.796 -2.211 1.00 0.00 C ATOM 1251 C GLU A 116 -16.825 -7.563 -2.347 1.00 0.00 C ATOM 1252 O GLU A 116 -16.484 -8.386 -1.498 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.194 -7.405 -3.134 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.617 -7.220 -2.636 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.646 -7.363 -3.741 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -21.333 -6.995 -4.893 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.763 -7.841 -3.454 1.00 0.00 O ATOM 0 H GLU A 116 -18.597 -5.011 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.478 -6.874 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.103 -6.956 -4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.994 -8.470 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.823 -7.953 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.713 -6.234 -2.181 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.093 -7.286 -3.422 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.819 -7.951 -3.670 1.00 0.00 C ATOM 1266 C GLU A 117 -13.832 -7.674 -2.540 1.00 0.00 C ATOM 1267 O GLU A 117 -13.091 -8.562 -2.115 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.228 -7.489 -5.003 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.149 -7.719 -6.189 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.575 -9.168 -6.325 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -14.745 -10.058 -6.046 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -16.738 -9.411 -6.710 1.00 0.00 O ATOM 0 H GLU A 117 -16.360 -6.606 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.001 -9.025 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.992 -6.427 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.289 -8.014 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.035 -7.092 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.644 -7.406 -7.103 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.826 -6.436 -2.058 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.929 -6.040 -0.977 1.00 0.00 C ATOM 1281 C LEU A 118 -13.143 -6.912 0.255 1.00 0.00 C ATOM 1282 O LEU A 118 -12.200 -7.505 0.780 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.149 -4.569 -0.619 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.476 -3.547 -1.537 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.142 -2.186 -1.398 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.990 -3.449 -1.227 1.00 0.00 C ATOM 0 H LEU A 118 -14.432 -5.689 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.904 -6.175 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.221 -4.373 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.791 -4.406 0.398 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.590 -3.882 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.651 -1.471 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.195 -2.267 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.059 -1.844 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.528 -2.717 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.854 -3.138 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.522 -4.422 -1.378 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.388 -6.988 0.711 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.727 -7.792 1.880 1.00 0.00 C ATOM 1300 C ASP A 119 -14.222 -9.222 1.721 1.00 0.00 C ATOM 1301 O ASP A 119 -13.567 -9.763 2.613 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.240 -7.794 2.103 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.624 -8.346 3.462 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.404 -7.644 4.471 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.146 -9.479 3.515 1.00 0.00 O ATOM 0 H ASP A 119 -15.180 -6.503 0.289 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.240 -7.349 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.620 -6.777 2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.718 -8.388 1.324 1.00 0.00 H new ATOM 1310 N SER A 120 -14.531 -9.831 0.580 1.00 0.00 N ATOM 1311 CA SER A 120 -14.113 -11.200 0.306 1.00 0.00 C ATOM 1312 C SER A 120 -12.592 -11.302 0.243 1.00 0.00 C ATOM 1313 O SER A 120 -12.001 -12.255 0.751 1.00 0.00 O ATOM 1314 CB SER A 120 -14.723 -11.689 -1.009 1.00 0.00 C ATOM 1315 OG SER A 120 -16.116 -11.911 -0.873 1.00 0.00 O ATOM 0 H SER A 120 -15.070 -9.397 -0.169 1.00 0.00 H new ATOM 0 HA SER A 120 -14.469 -11.831 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.544 -10.953 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.233 -12.612 -1.320 1.00 0.00 H new ATOM 0 HG SER A 120 -16.483 -12.221 -1.727 1.00 0.00 H new ATOM 1321 N TYR A 121 -11.965 -10.312 -0.383 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.513 -10.290 -0.516 1.00 0.00 C ATOM 1323 C TYR A 121 -9.840 -10.442 0.845 1.00 0.00 C ATOM 1324 O TYR A 121 -8.828 -11.131 0.975 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.061 -8.988 -1.179 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.113 -9.027 -2.689 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.449 -10.019 -3.401 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -10.825 -8.073 -3.405 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.492 -10.059 -4.781 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -10.875 -8.106 -4.785 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.207 -9.100 -5.468 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.254 -9.136 -6.843 1.00 0.00 O ATOM 0 H TYR A 121 -12.439 -9.514 -0.806 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.217 -11.131 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.690 -8.172 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.041 -8.765 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.890 -10.772 -2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.348 -7.292 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.969 -10.836 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.434 -7.357 -5.326 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.800 -8.391 -7.171 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.410 -9.794 1.856 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.865 -9.856 3.207 1.00 0.00 C ATOM 1344 C ARG A 122 -10.217 -11.182 3.874 1.00 0.00 C ATOM 1345 O ARG A 122 -9.444 -11.711 4.673 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.395 -8.693 4.047 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.704 -7.370 3.761 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.376 -6.220 4.494 1.00 0.00 C ATOM 1349 NE ARG A 122 -10.133 -6.272 5.933 1.00 0.00 N ATOM 1350 CZ ARG A 122 -9.038 -5.793 6.512 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -8.089 -5.228 5.777 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -8.889 -5.877 7.827 1.00 0.00 N ATOM 0 H ARG A 122 -11.249 -9.220 1.765 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.780 -9.780 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.464 -8.582 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.275 -8.935 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.658 -7.432 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.717 -7.176 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.008 -5.273 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.449 -6.248 4.306 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.844 -6.700 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -8.200 -5.161 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -7.249 -4.861 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.616 -6.310 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -8.047 -5.508 8.269 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.389 -11.713 3.542 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.845 -12.976 4.111 1.00 0.00 C ATOM 1368 C ARG A 123 -10.923 -14.121 3.700 1.00 0.00 C ATOM 1369 O ARG A 123 -10.777 -15.104 4.425 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.277 -13.274 3.664 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.305 -12.305 4.226 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.620 -12.609 5.682 1.00 0.00 C ATOM 1373 NE ARG A 123 -13.738 -11.886 6.595 1.00 0.00 N ATOM 1374 CZ ARG A 123 -14.027 -11.663 7.872 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -15.167 -12.104 8.385 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -13.173 -10.998 8.640 1.00 0.00 N ATOM 0 H ARG A 123 -12.040 -11.288 2.882 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.823 -12.886 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.322 -13.247 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.540 -14.287 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.931 -11.285 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.220 -12.360 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.656 -12.343 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.524 -13.680 5.858 1.00 0.00 H new ATOM 0 HE ARG A 123 -12.852 -11.533 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.826 -12.617 7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -15.385 -11.931 9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -12.294 -10.658 8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -13.395 -10.827 9.621 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.305 -13.985 2.531 1.00 0.00 N ATOM 1391 CA GLY A 124 -9.406 -15.015 2.043 1.00 0.00 C ATOM 1392 C GLY A 124 -9.008 -14.800 0.597 1.00 0.00 C ATOM 1393 O GLY A 124 -7.852 -15.005 0.227 1.00 0.00 O ATOM 0 H GLY A 124 -10.411 -13.180 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.510 -15.035 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.885 -15.989 2.144 1.00 0.00 H new ATOM 1397 N SER A 125 -9.968 -14.388 -0.225 1.00 0.00 N ATOM 1398 CA SER A 125 -9.713 -14.150 -1.641 1.00 0.00 C ATOM 1399 C SER A 125 -8.515 -13.225 -1.829 1.00 0.00 C ATOM 1400 O SER A 125 -8.161 -12.460 -0.933 1.00 0.00 O ATOM 1401 CB SER A 125 -10.950 -13.545 -2.309 1.00 0.00 C ATOM 1402 OG SER A 125 -11.993 -14.498 -2.409 1.00 0.00 O ATOM 0 H SER A 125 -10.930 -14.212 0.065 1.00 0.00 H new ATOM 0 HA SER A 125 -9.487 -15.107 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 125 -11.293 -12.685 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 125 -10.689 -13.181 -3.303 1.00 0.00 H new ATOM 0 HG SER A 125 -12.772 -14.086 -2.838 1.00 0.00 H new ATOM 1408 N GLY A 126 -7.894 -13.302 -3.002 1.00 0.00 N ATOM 1409 CA GLY A 126 -6.742 -12.467 -3.288 1.00 0.00 C ATOM 1410 C GLY A 126 -6.165 -12.728 -4.665 1.00 0.00 C ATOM 1411 O GLY A 126 -6.509 -13.705 -5.331 1.00 0.00 O ATOM 0 H GLY A 126 -8.168 -13.928 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -7.029 -11.418 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.973 -12.644 -2.536 1.00 0.00 H new ATOM 1415 N PRO A 127 -5.265 -11.839 -5.112 1.00 0.00 N ATOM 1416 CA PRO A 127 -4.620 -11.957 -6.423 1.00 0.00 C ATOM 1417 C PRO A 127 -3.642 -13.125 -6.486 1.00 0.00 C ATOM 1418 O PRO A 127 -3.520 -13.897 -5.534 1.00 0.00 O ATOM 1419 CB PRO A 127 -3.875 -10.628 -6.572 1.00 0.00 C ATOM 1420 CG PRO A 127 -3.631 -10.172 -5.175 1.00 0.00 C ATOM 1421 CD PRO A 127 -4.807 -10.652 -4.371 1.00 0.00 C ATOM 0 HA PRO A 127 -5.342 -12.149 -7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.939 -10.758 -7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -4.468 -9.902 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -2.699 -10.584 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -3.544 -9.087 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -4.520 -10.902 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -5.587 -9.893 -4.307 1.00 0.00 H new ATOM 1429 N SER A 128 -2.947 -13.250 -7.612 1.00 0.00 N ATOM 1430 CA SER A 128 -1.982 -14.327 -7.800 1.00 0.00 C ATOM 1431 C SER A 128 -0.662 -14.000 -7.107 1.00 0.00 C ATOM 1432 O SER A 128 -0.114 -12.911 -7.274 1.00 0.00 O ATOM 1433 CB SER A 128 -1.742 -14.571 -9.291 1.00 0.00 C ATOM 1434 OG SER A 128 -0.780 -15.592 -9.492 1.00 0.00 O ATOM 0 H SER A 128 -3.034 -12.618 -8.408 1.00 0.00 H new ATOM 0 HA SER A 128 -2.393 -15.232 -7.353 1.00 0.00 H new ATOM 0 HB2 SER A 128 -2.679 -14.850 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.403 -13.649 -9.764 1.00 0.00 H new ATOM 0 HG SER A 128 -0.646 -15.730 -10.453 1.00 0.00 H new ATOM 1440 N SER A 129 -0.158 -14.953 -6.329 1.00 0.00 N ATOM 1441 CA SER A 129 1.095 -14.767 -5.608 1.00 0.00 C ATOM 1442 C SER A 129 2.280 -15.237 -6.446 1.00 0.00 C ATOM 1443 O SER A 129 3.390 -14.723 -6.316 1.00 0.00 O ATOM 1444 CB SER A 129 1.062 -15.527 -4.280 1.00 0.00 C ATOM 1445 OG SER A 129 1.008 -16.927 -4.496 1.00 0.00 O ATOM 0 H SER A 129 -0.598 -15.861 -6.182 1.00 0.00 H new ATOM 0 HA SER A 129 1.214 -13.702 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 129 1.947 -15.280 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 129 0.196 -15.212 -3.698 1.00 0.00 H new ATOM 0 HG SER A 129 0.989 -17.391 -3.633 1.00 0.00 H new ATOM 1451 N GLY A 130 2.034 -16.218 -7.309 1.00 0.00 N ATOM 1452 CA GLY A 130 3.088 -16.742 -8.157 1.00 0.00 C ATOM 1453 C GLY A 130 3.231 -15.967 -9.452 1.00 0.00 C ATOM 1454 O GLY A 130 3.242 -14.736 -9.447 1.00 0.00 O ATOM 0 H GLY A 130 1.123 -16.659 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 130 4.033 -16.715 -7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 130 2.881 -17.788 -8.384 1.00 0.00 H new TER 1458 GLY A 130