USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 836 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 75 GLN : amide:sc= 1.11 K(o=-0.2,f=-1.9) USER MOD Set 1.2: A 84 CYS SG : rot -127:sc= -1.31! USER MOD Set 2.1: A 20 CYS SG : rot 168:sc= 0.0641 USER MOD Set 2.2: A 27 GLN : amide:sc= 0.334 K(o=3.1,f=-1.2) USER MOD Set 2.3: A 44 ASN : amide:sc= 1.28 K(o=3.1,f=-1.2!) USER MOD Set 2.4: A 55 SER OG : rot 124:sc= 1.38 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -1:sc= -0.358 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.111 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.331 USER MOD Single : A 38 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.6!) USER MOD Single : A 43 SER OG : rot 38:sc= -2.34! USER MOD Single : A 51 SER OG : rot 73:sc= 1.23 USER MOD Single : A 52 SER OG : rot 180:sc= 0.051 USER MOD Single : A 62 HIS : no HD1:sc= -2.55! K(o=-2.6!,f=-0.17) USER MOD Single : A 63 GLN : amide:sc= -0.775 K(o=-0.77,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= -0.0413 (180deg=-0.371) USER MOD Single : A 80 SER OG : rot 81:sc= -0.311 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 91 SER OG : rot 95:sc= 0.872 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc=-0.00307 (180deg=-0.102) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.77! USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.617) USER MOD Single : A 105 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -16.578 6.633 5.760 1.00 0.00 N ATOM 29 CA GLN A 3 -17.330 5.688 4.954 1.00 0.00 C ATOM 30 C GLN A 3 -16.381 4.909 4.059 1.00 0.00 C ATOM 31 O GLN A 3 -15.725 5.484 3.190 1.00 0.00 O ATOM 32 CB GLN A 3 -18.386 6.406 4.110 1.00 0.00 C ATOM 33 CG GLN A 3 -19.478 7.064 4.936 1.00 0.00 C ATOM 34 CD GLN A 3 -20.522 7.754 4.081 1.00 0.00 C ATOM 35 OE1 GLN A 3 -20.787 7.349 2.949 1.00 0.00 O ATOM 36 NE2 GLN A 3 -21.131 8.798 4.620 1.00 0.00 N ATOM 0 HA GLN A 3 -17.845 4.997 5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -17.897 7.165 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.841 5.690 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -19.963 6.310 5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -19.028 7.792 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -20.883 9.103 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -21.848 9.298 4.094 1.00 0.00 H new ATOM 45 N TRP A 4 -16.287 3.611 4.317 1.00 0.00 N ATOM 46 CA TRP A 4 -15.411 2.728 3.560 1.00 0.00 C ATOM 47 C TRP A 4 -15.655 2.862 2.060 1.00 0.00 C ATOM 48 O TRP A 4 -16.688 2.441 1.537 1.00 0.00 O ATOM 49 CB TRP A 4 -15.606 1.282 4.008 1.00 0.00 C ATOM 50 CG TRP A 4 -15.198 1.038 5.428 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.966 1.199 6.545 1.00 0.00 C ATOM 52 CD2 TRP A 4 -13.917 0.585 5.882 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.243 0.869 7.665 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.982 0.490 7.285 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.721 0.251 5.240 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.899 0.072 8.052 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.647 -0.164 6.006 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.743 -0.250 7.399 1.00 0.00 C ATOM 0 H TRP A 4 -16.814 3.143 5.054 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.380 3.021 3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.655 1.011 3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.030 0.626 3.355 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.992 1.536 6.548 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.589 0.901 8.624 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.637 0.316 4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.970 0.004 9.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.719 -0.426 5.521 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.886 -0.577 7.969 1.00 0.00 H new ATOM 69 N LYS A 5 -14.689 3.463 1.387 1.00 0.00 N ATOM 70 CA LYS A 5 -14.790 3.762 -0.030 1.00 0.00 C ATOM 71 C LYS A 5 -14.530 2.519 -0.873 1.00 0.00 C ATOM 72 O LYS A 5 -13.417 1.991 -0.884 1.00 0.00 O ATOM 73 CB LYS A 5 -13.782 4.864 -0.387 1.00 0.00 C ATOM 74 CG LYS A 5 -13.686 5.201 -1.871 1.00 0.00 C ATOM 75 CD LYS A 5 -14.834 6.080 -2.354 1.00 0.00 C ATOM 76 CE LYS A 5 -16.084 5.276 -2.676 1.00 0.00 C ATOM 77 NZ LYS A 5 -17.114 6.111 -3.347 1.00 0.00 N ATOM 0 H LYS A 5 -13.809 3.758 1.810 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.802 4.105 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.050 5.769 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.796 4.560 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.741 5.708 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.675 4.277 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.068 6.820 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.519 6.628 -3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.821 4.436 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.495 4.858 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.952 5.530 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.382 6.899 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.729 6.489 -4.236 1.00 0.00 H new ATOM 91 N ASP A 6 -15.573 2.039 -1.543 1.00 0.00 N ATOM 92 CA ASP A 6 -15.423 0.987 -2.546 1.00 0.00 C ATOM 93 C ASP A 6 -14.535 1.485 -3.677 1.00 0.00 C ATOM 94 O ASP A 6 -14.918 2.389 -4.419 1.00 0.00 O ATOM 95 CB ASP A 6 -16.781 0.574 -3.128 1.00 0.00 C ATOM 96 CG ASP A 6 -17.735 0.015 -2.096 1.00 0.00 C ATOM 97 OD1 ASP A 6 -18.463 0.811 -1.466 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.786 -1.221 -1.927 1.00 0.00 O ATOM 0 H ASP A 6 -16.532 2.361 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.973 0.121 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.241 1.439 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.622 -0.172 -3.906 1.00 0.00 H new ATOM 103 N ILE A 7 -13.350 0.914 -3.793 1.00 0.00 N ATOM 104 CA ILE A 7 -12.411 1.309 -4.831 1.00 0.00 C ATOM 105 C ILE A 7 -12.646 0.496 -6.096 1.00 0.00 C ATOM 106 O ILE A 7 -13.221 0.983 -7.071 1.00 0.00 O ATOM 107 CB ILE A 7 -10.948 1.109 -4.377 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.679 1.862 -3.069 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.986 1.567 -5.466 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.852 3.361 -3.183 1.00 0.00 C ATOM 0 H ILE A 7 -13.013 0.172 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.577 2.368 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.786 0.046 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.351 1.485 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.663 1.647 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.960 1.419 -5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.159 0.986 -6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.151 2.624 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.645 3.826 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.161 3.751 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.875 3.587 -3.483 1.00 0.00 H new ATOM 122 N CYS A 8 -12.199 -0.747 -6.063 1.00 0.00 N ATOM 123 CA CYS A 8 -12.338 -1.662 -7.181 1.00 0.00 C ATOM 124 C CYS A 8 -12.428 -3.076 -6.642 1.00 0.00 C ATOM 125 O CYS A 8 -12.255 -3.294 -5.444 1.00 0.00 O ATOM 126 CB CYS A 8 -11.142 -1.545 -8.137 1.00 0.00 C ATOM 127 SG CYS A 8 -10.905 0.102 -8.845 1.00 0.00 S ATOM 0 H CYS A 8 -11.727 -1.152 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.241 -1.412 -7.738 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.236 -1.830 -7.602 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.271 -2.260 -8.949 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.838 0.898 -8.413 1.00 0.00 H new ATOM 133 N LYS A 9 -12.695 -4.031 -7.506 1.00 0.00 N ATOM 134 CA LYS A 9 -12.767 -5.418 -7.088 1.00 0.00 C ATOM 135 C LYS A 9 -11.367 -6.002 -6.951 1.00 0.00 C ATOM 136 O LYS A 9 -10.474 -5.694 -7.742 1.00 0.00 O ATOM 137 CB LYS A 9 -13.583 -6.237 -8.086 1.00 0.00 C ATOM 138 CG LYS A 9 -14.990 -5.708 -8.301 1.00 0.00 C ATOM 139 CD LYS A 9 -15.764 -6.593 -9.256 1.00 0.00 C ATOM 140 CE LYS A 9 -17.134 -6.021 -9.573 1.00 0.00 C ATOM 141 NZ LYS A 9 -17.888 -6.888 -10.516 1.00 0.00 N ATOM 0 H LYS A 9 -12.866 -3.876 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.262 -5.460 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.060 -6.254 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.641 -7.268 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.512 -5.654 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.944 -4.693 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.198 -6.713 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.877 -7.586 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.703 -5.906 -8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.022 -5.026 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.818 -6.465 -10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.357 -6.977 -11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.017 -7.830 -10.094 1.00 0.00 H new ATOM 155 N ILE A 10 -11.180 -6.853 -5.950 1.00 0.00 N ATOM 156 CA ILE A 10 -9.893 -7.504 -5.724 1.00 0.00 C ATOM 157 C ILE A 10 -9.643 -8.554 -6.806 1.00 0.00 C ATOM 158 O ILE A 10 -8.567 -9.139 -6.901 1.00 0.00 O ATOM 159 CB ILE A 10 -9.833 -8.151 -4.316 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.389 -8.497 -3.942 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.715 -9.392 -4.246 1.00 0.00 C ATOM 162 CD1 ILE A 10 -7.473 -7.293 -3.909 1.00 0.00 C ATOM 0 H ILE A 10 -11.904 -7.110 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.111 -6.746 -5.776 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.212 -7.425 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.380 -8.978 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.000 -9.221 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.654 -9.826 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.748 -9.117 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.375 -10.122 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.466 -7.609 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.453 -6.824 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.839 -6.577 -3.173 1.00 0.00 H new ATOM 174 N ASP A 11 -10.660 -8.769 -7.627 1.00 0.00 N ATOM 175 CA ASP A 11 -10.564 -9.663 -8.770 1.00 0.00 C ATOM 176 C ASP A 11 -9.636 -9.070 -9.827 1.00 0.00 C ATOM 177 O ASP A 11 -9.024 -9.793 -10.609 1.00 0.00 O ATOM 178 CB ASP A 11 -11.958 -9.897 -9.356 1.00 0.00 C ATOM 179 CG ASP A 11 -11.956 -10.833 -10.548 1.00 0.00 C ATOM 180 OD1 ASP A 11 -12.074 -12.060 -10.346 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.865 -10.344 -11.693 1.00 0.00 O ATOM 0 H ASP A 11 -11.574 -8.329 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.150 -10.617 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.606 -10.307 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.385 -8.940 -9.655 1.00 0.00 H new ATOM 186 N ASP A 12 -9.531 -7.744 -9.834 1.00 0.00 N ATOM 187 CA ASP A 12 -8.675 -7.047 -10.789 1.00 0.00 C ATOM 188 C ASP A 12 -7.227 -7.056 -10.317 1.00 0.00 C ATOM 189 O ASP A 12 -6.304 -7.332 -11.085 1.00 0.00 O ATOM 190 CB ASP A 12 -9.150 -5.603 -10.972 1.00 0.00 C ATOM 191 CG ASP A 12 -8.372 -4.856 -12.037 1.00 0.00 C ATOM 192 OD1 ASP A 12 -7.291 -4.313 -11.729 1.00 0.00 O ATOM 193 OD2 ASP A 12 -8.848 -4.796 -13.192 1.00 0.00 O ATOM 0 H ASP A 12 -10.028 -7.130 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.736 -7.567 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.208 -5.605 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.059 -5.073 -10.024 1.00 0.00 H new ATOM 198 N ILE A 13 -7.042 -6.770 -9.041 1.00 0.00 N ATOM 199 CA ILE A 13 -5.711 -6.699 -8.451 1.00 0.00 C ATOM 200 C ILE A 13 -5.163 -8.098 -8.201 1.00 0.00 C ATOM 201 O ILE A 13 -5.601 -8.791 -7.287 1.00 0.00 O ATOM 202 CB ILE A 13 -5.726 -5.911 -7.124 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.424 -4.560 -7.316 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.304 -5.708 -6.612 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.605 -3.780 -6.030 1.00 0.00 C ATOM 0 H ILE A 13 -7.801 -6.581 -8.386 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.067 -6.177 -9.159 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.281 -6.486 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.845 -3.958 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.401 -4.727 -7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.331 -5.151 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.836 -6.678 -6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.728 -5.150 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.106 -2.836 -6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.210 -4.361 -5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.630 -3.581 -5.585 1.00 0.00 H new ATOM 217 N LEU A 14 -4.214 -8.506 -9.031 1.00 0.00 N ATOM 218 CA LEU A 14 -3.592 -9.821 -8.918 1.00 0.00 C ATOM 219 C LEU A 14 -2.694 -9.895 -7.680 1.00 0.00 C ATOM 220 O LEU A 14 -2.373 -8.868 -7.082 1.00 0.00 O ATOM 221 CB LEU A 14 -2.773 -10.108 -10.183 1.00 0.00 C ATOM 222 CG LEU A 14 -3.571 -10.106 -11.488 1.00 0.00 C ATOM 223 CD1 LEU A 14 -2.646 -10.315 -12.676 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.646 -11.179 -11.456 1.00 0.00 C ATOM 0 H LEU A 14 -3.854 -7.939 -9.799 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.375 -10.572 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.979 -9.365 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.290 -11.079 -10.072 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.056 -9.136 -11.594 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.230 -10.311 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.910 -9.512 -12.710 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.134 -11.272 -12.575 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.204 -11.163 -12.392 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.181 -12.156 -11.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.326 -10.988 -10.625 1.00 0.00 H new ATOM 236 N PRO A 15 -2.292 -11.108 -7.264 1.00 0.00 N ATOM 237 CA PRO A 15 -1.350 -11.283 -6.152 1.00 0.00 C ATOM 238 C PRO A 15 -0.010 -10.599 -6.429 1.00 0.00 C ATOM 239 O PRO A 15 0.436 -10.539 -7.578 1.00 0.00 O ATOM 240 CB PRO A 15 -1.170 -12.802 -6.057 1.00 0.00 C ATOM 241 CG PRO A 15 -2.366 -13.376 -6.736 1.00 0.00 C ATOM 242 CD PRO A 15 -2.733 -12.399 -7.817 1.00 0.00 C ATOM 0 HA PRO A 15 -1.720 -10.836 -5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.249 -13.121 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.111 -13.128 -5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.144 -14.357 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.189 -13.508 -6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.229 -12.629 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.804 -12.406 -8.020 1.00 0.00 H new ATOM 250 N GLU A 16 0.601 -10.068 -5.370 1.00 0.00 N ATOM 251 CA GLU A 16 1.888 -9.375 -5.456 1.00 0.00 C ATOM 252 C GLU A 16 1.780 -8.119 -6.319 1.00 0.00 C ATOM 253 O GLU A 16 2.770 -7.661 -6.889 1.00 0.00 O ATOM 254 CB GLU A 16 2.967 -10.303 -6.020 1.00 0.00 C ATOM 255 CG GLU A 16 3.215 -11.544 -5.180 1.00 0.00 C ATOM 256 CD GLU A 16 4.262 -12.448 -5.791 1.00 0.00 C ATOM 257 OE1 GLU A 16 5.460 -12.270 -5.484 1.00 0.00 O ATOM 258 OE2 GLU A 16 3.897 -13.338 -6.584 1.00 0.00 O ATOM 0 H GLU A 16 0.217 -10.106 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 16 2.171 -9.078 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.679 -10.609 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.900 -9.746 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.533 -11.247 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.282 -12.096 -5.067 1.00 0.00 H new ATOM 265 N THR A 17 0.589 -7.543 -6.386 1.00 0.00 N ATOM 266 CA THR A 17 0.353 -6.406 -7.267 1.00 0.00 C ATOM 267 C THR A 17 -0.063 -5.169 -6.480 1.00 0.00 C ATOM 268 O THR A 17 -0.849 -5.254 -5.534 1.00 0.00 O ATOM 269 CB THR A 17 -0.730 -6.730 -8.317 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.423 -7.969 -8.964 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.836 -5.628 -9.364 1.00 0.00 C ATOM 0 H THR A 17 -0.224 -7.840 -5.846 1.00 0.00 H new ATOM 0 HA THR A 17 1.294 -6.200 -7.777 1.00 0.00 H new ATOM 0 HB THR A 17 -1.686 -6.806 -7.799 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.472 -7.851 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.608 -5.888 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.096 -4.688 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.120 -5.519 -9.876 1.00 0.00 H new ATOM 279 N GLY A 18 0.485 -4.028 -6.872 1.00 0.00 N ATOM 280 CA GLY A 18 0.092 -2.769 -6.286 1.00 0.00 C ATOM 281 C GLY A 18 -0.494 -1.841 -7.327 1.00 0.00 C ATOM 282 O GLY A 18 0.034 -1.738 -8.433 1.00 0.00 O ATOM 0 H GLY A 18 1.202 -3.955 -7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.640 -2.944 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.956 -2.297 -5.819 1.00 0.00 H new ATOM 286 N VAL A 19 -1.583 -1.177 -6.984 1.00 0.00 N ATOM 287 CA VAL A 19 -2.263 -0.288 -7.919 1.00 0.00 C ATOM 288 C VAL A 19 -2.344 1.128 -7.364 1.00 0.00 C ATOM 289 O VAL A 19 -2.090 1.354 -6.179 1.00 0.00 O ATOM 290 CB VAL A 19 -3.688 -0.788 -8.250 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.643 -2.151 -8.923 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.551 -0.833 -6.997 1.00 0.00 C ATOM 0 H VAL A 19 -2.019 -1.234 -6.064 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.674 -0.284 -8.836 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.139 -0.082 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.658 -2.481 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.073 -2.081 -9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.166 -2.870 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.549 -1.188 -7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.102 -1.510 -6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.621 0.166 -6.567 1.00 0.00 H new ATOM 302 N CYS A 20 -2.688 2.074 -8.226 1.00 0.00 N ATOM 303 CA CYS A 20 -2.838 3.464 -7.826 1.00 0.00 C ATOM 304 C CYS A 20 -4.304 3.880 -7.921 1.00 0.00 C ATOM 305 O CYS A 20 -4.849 4.026 -9.015 1.00 0.00 O ATOM 306 CB CYS A 20 -1.974 4.364 -8.714 1.00 0.00 C ATOM 307 SG CYS A 20 -0.232 3.877 -8.786 1.00 0.00 S ATOM 0 H CYS A 20 -2.870 1.901 -9.215 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.508 3.572 -6.793 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.383 4.360 -9.724 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.039 5.388 -8.347 1.00 0.00 H new ATOM 0 HG CYS A 20 0.361 4.525 -9.744 1.00 0.00 H new ATOM 313 N ALA A 21 -4.937 4.059 -6.772 1.00 0.00 N ATOM 314 CA ALA A 21 -6.356 4.388 -6.721 1.00 0.00 C ATOM 315 C ALA A 21 -6.569 5.827 -6.264 1.00 0.00 C ATOM 316 O ALA A 21 -5.607 6.554 -6.005 1.00 0.00 O ATOM 317 CB ALA A 21 -7.076 3.426 -5.791 1.00 0.00 C ATOM 0 H ALA A 21 -4.490 3.982 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.768 4.291 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.136 3.677 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.956 2.407 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.653 3.503 -4.789 1.00 0.00 H new ATOM 323 N LEU A 22 -7.827 6.237 -6.167 1.00 0.00 N ATOM 324 CA LEU A 22 -8.163 7.577 -5.708 1.00 0.00 C ATOM 325 C LEU A 22 -9.088 7.486 -4.494 1.00 0.00 C ATOM 326 O LEU A 22 -10.119 6.813 -4.536 1.00 0.00 O ATOM 327 CB LEU A 22 -8.837 8.367 -6.841 1.00 0.00 C ATOM 328 CG LEU A 22 -8.656 9.895 -6.804 1.00 0.00 C ATOM 329 CD1 LEU A 22 -9.267 10.527 -8.044 1.00 0.00 C ATOM 330 CD2 LEU A 22 -9.279 10.502 -5.558 1.00 0.00 C ATOM 0 H LEU A 22 -8.633 5.658 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.251 8.100 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.451 7.999 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.905 8.148 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.586 10.099 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.132 11.608 -8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.776 10.132 -8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.331 10.295 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.131 11.582 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.346 10.282 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.807 10.078 -4.672 1.00 0.00 H new ATOM 342 N LEU A 23 -8.705 8.155 -3.417 1.00 0.00 N ATOM 343 CA LEU A 23 -9.508 8.181 -2.204 1.00 0.00 C ATOM 344 C LEU A 23 -9.800 9.630 -1.830 1.00 0.00 C ATOM 345 O LEU A 23 -8.939 10.329 -1.288 1.00 0.00 O ATOM 346 CB LEU A 23 -8.772 7.448 -1.069 1.00 0.00 C ATOM 347 CG LEU A 23 -9.594 7.130 0.190 1.00 0.00 C ATOM 348 CD1 LEU A 23 -8.931 6.012 0.977 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.737 8.357 1.080 1.00 0.00 C ATOM 0 H LEU A 23 -7.838 8.690 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.454 7.667 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.380 6.511 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.915 8.052 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.587 6.816 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.521 5.794 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.867 5.118 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.928 6.320 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.323 8.100 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.749 8.700 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.241 9.150 0.528 1.00 0.00 H new ATOM 361 N GLY A 24 -11.004 10.083 -2.154 1.00 0.00 N ATOM 362 CA GLY A 24 -11.386 11.451 -1.879 1.00 0.00 C ATOM 363 C GLY A 24 -10.669 12.433 -2.785 1.00 0.00 C ATOM 364 O GLY A 24 -11.176 12.799 -3.848 1.00 0.00 O ATOM 0 H GLY A 24 -11.726 9.522 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.463 11.560 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.163 11.688 -0.839 1.00 0.00 H new ATOM 368 N ASP A 25 -9.487 12.852 -2.363 1.00 0.00 N ATOM 369 CA ASP A 25 -8.665 13.763 -3.150 1.00 0.00 C ATOM 370 C ASP A 25 -7.259 13.190 -3.350 1.00 0.00 C ATOM 371 O ASP A 25 -6.573 13.518 -4.319 1.00 0.00 O ATOM 372 CB ASP A 25 -8.591 15.130 -2.461 1.00 0.00 C ATOM 373 CG ASP A 25 -7.851 16.169 -3.283 1.00 0.00 C ATOM 374 OD1 ASP A 25 -8.493 16.842 -4.117 1.00 0.00 O ATOM 375 OD2 ASP A 25 -6.633 16.340 -3.082 1.00 0.00 O ATOM 0 H ASP A 25 -9.071 12.575 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.125 13.885 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.602 15.485 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.096 15.018 -1.496 1.00 0.00 H new ATOM 380 N GLU A 26 -6.852 12.303 -2.447 1.00 0.00 N ATOM 381 CA GLU A 26 -5.506 11.742 -2.467 1.00 0.00 C ATOM 382 C GLU A 26 -5.456 10.465 -3.297 1.00 0.00 C ATOM 383 O GLU A 26 -6.479 9.817 -3.527 1.00 0.00 O ATOM 384 CB GLU A 26 -5.035 11.442 -1.039 1.00 0.00 C ATOM 385 CG GLU A 26 -4.899 12.676 -0.162 1.00 0.00 C ATOM 386 CD GLU A 26 -3.871 13.653 -0.691 1.00 0.00 C ATOM 387 OE1 GLU A 26 -2.664 13.448 -0.444 1.00 0.00 O ATOM 388 OE2 GLU A 26 -4.260 14.630 -1.356 1.00 0.00 O ATOM 0 H GLU A 26 -7.439 11.956 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.844 12.479 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.739 10.753 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.072 10.933 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.866 13.175 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.621 12.372 0.847 1.00 0.00 H new ATOM 395 N GLN A 27 -4.262 10.108 -3.746 1.00 0.00 N ATOM 396 CA GLN A 27 -4.067 8.866 -4.473 1.00 0.00 C ATOM 397 C GLN A 27 -3.424 7.819 -3.571 1.00 0.00 C ATOM 398 O GLN A 27 -2.367 8.042 -2.977 1.00 0.00 O ATOM 399 CB GLN A 27 -3.246 9.092 -5.744 1.00 0.00 C ATOM 400 CG GLN A 27 -1.920 9.794 -5.528 1.00 0.00 C ATOM 401 CD GLN A 27 -1.226 10.095 -6.838 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.461 9.281 -7.349 1.00 0.00 O ATOM 403 NE2 GLN A 27 -1.497 11.262 -7.396 1.00 0.00 N ATOM 0 H GLN A 27 -3.415 10.662 -3.619 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.043 8.492 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.058 8.127 -6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.841 9.678 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.085 10.723 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.275 9.170 -4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.138 11.910 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.065 11.515 -8.285 1.00 0.00 H new ATOM 412 N VAL A 28 -4.088 6.683 -3.461 1.00 0.00 N ATOM 413 CA VAL A 28 -3.674 5.635 -2.546 1.00 0.00 C ATOM 414 C VAL A 28 -3.128 4.436 -3.312 1.00 0.00 C ATOM 415 O VAL A 28 -3.701 4.019 -4.318 1.00 0.00 O ATOM 416 CB VAL A 28 -4.857 5.187 -1.660 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.430 4.127 -0.656 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.464 6.381 -0.942 1.00 0.00 C ATOM 0 H VAL A 28 -4.925 6.461 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.886 6.038 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.611 4.745 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.287 3.835 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.047 3.256 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.649 4.530 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.296 6.048 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.708 6.850 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.824 7.102 -1.676 1.00 0.00 H new ATOM 428 N ALA A 29 -2.016 3.902 -2.838 1.00 0.00 N ATOM 429 CA ALA A 29 -1.424 2.716 -3.426 1.00 0.00 C ATOM 430 C ALA A 29 -1.934 1.480 -2.704 1.00 0.00 C ATOM 431 O ALA A 29 -1.690 1.302 -1.508 1.00 0.00 O ATOM 432 CB ALA A 29 0.093 2.787 -3.362 1.00 0.00 C ATOM 0 H ALA A 29 -1.502 4.276 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.713 2.658 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.518 1.888 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.440 3.663 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.410 2.861 -2.322 1.00 0.00 H new ATOM 438 N ILE A 30 -2.657 0.642 -3.426 1.00 0.00 N ATOM 439 CA ILE A 30 -3.241 -0.554 -2.843 1.00 0.00 C ATOM 440 C ILE A 30 -2.422 -1.769 -3.235 1.00 0.00 C ATOM 441 O ILE A 30 -2.269 -2.066 -4.420 1.00 0.00 O ATOM 442 CB ILE A 30 -4.705 -0.755 -3.291 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.538 0.487 -2.963 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.302 -1.989 -2.620 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.970 0.402 -3.445 1.00 0.00 C ATOM 0 H ILE A 30 -2.854 0.768 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.234 -0.431 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.720 -0.907 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.535 0.641 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.064 1.360 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.334 -2.117 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.722 -2.870 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.276 -1.863 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.499 1.317 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.983 0.279 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.461 -0.451 -2.977 1.00 0.00 H new ATOM 457 N PHE A 31 -1.889 -2.459 -2.243 1.00 0.00 N ATOM 458 CA PHE A 31 -1.036 -3.605 -2.488 1.00 0.00 C ATOM 459 C PHE A 31 -1.706 -4.890 -2.031 1.00 0.00 C ATOM 460 O PHE A 31 -2.100 -5.020 -0.869 1.00 0.00 O ATOM 461 CB PHE A 31 0.303 -3.450 -1.759 1.00 0.00 C ATOM 462 CG PHE A 31 1.121 -2.277 -2.215 1.00 0.00 C ATOM 463 CD1 PHE A 31 1.948 -2.381 -3.320 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.072 -1.074 -1.530 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.710 -1.308 -3.737 1.00 0.00 C ATOM 466 CE2 PHE A 31 1.834 0.002 -1.941 1.00 0.00 C ATOM 467 CZ PHE A 31 2.653 -0.115 -3.047 1.00 0.00 C ATOM 0 H PHE A 31 -2.033 -2.244 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.859 -3.657 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.113 -3.352 -0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.886 -4.361 -1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.998 -3.313 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.432 -0.977 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.350 -1.403 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.790 0.934 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.248 0.726 -3.371 1.00 0.00 H new ATOM 477 N ARG A 32 -1.848 -5.827 -2.953 1.00 0.00 N ATOM 478 CA ARG A 32 -2.267 -7.171 -2.604 1.00 0.00 C ATOM 479 C ARG A 32 -1.030 -8.056 -2.573 1.00 0.00 C ATOM 480 O ARG A 32 -0.528 -8.459 -3.618 1.00 0.00 O ATOM 481 CB ARG A 32 -3.282 -7.709 -3.622 1.00 0.00 C ATOM 482 CG ARG A 32 -3.741 -9.134 -3.344 1.00 0.00 C ATOM 483 CD ARG A 32 -4.705 -9.622 -4.413 1.00 0.00 C ATOM 484 NE ARG A 32 -5.108 -11.014 -4.209 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.671 -11.770 -5.156 1.00 0.00 C ATOM 486 NH1 ARG A 32 -5.967 -11.249 -6.341 1.00 0.00 N ATOM 487 NH2 ARG A 32 -5.961 -13.040 -4.914 1.00 0.00 N ATOM 0 H ARG A 32 -1.679 -5.681 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.754 -7.165 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.153 -7.053 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.840 -7.668 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.876 -9.795 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.224 -9.179 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.591 -8.987 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.238 -9.522 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.950 -11.431 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.765 -10.268 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.397 -11.830 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.755 -13.445 -4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.391 -13.612 -5.641 1.00 0.00 H new ATOM 501 N PRO A 33 -0.501 -8.331 -1.370 1.00 0.00 N ATOM 502 CA PRO A 33 0.737 -9.084 -1.204 1.00 0.00 C ATOM 503 C PRO A 33 0.523 -10.594 -1.155 1.00 0.00 C ATOM 504 O PRO A 33 1.381 -11.364 -1.582 1.00 0.00 O ATOM 505 CB PRO A 33 1.263 -8.568 0.134 1.00 0.00 C ATOM 506 CG PRO A 33 0.046 -8.190 0.916 1.00 0.00 C ATOM 507 CD PRO A 33 -1.053 -7.893 -0.077 1.00 0.00 C ATOM 0 HA PRO A 33 1.418 -8.941 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.841 -9.334 0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.922 -7.711 -0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.248 -9.000 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.246 -7.319 1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.968 -8.432 0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.302 -6.832 -0.089 1.00 0.00 H new ATOM 515 N TYR A 34 -0.622 -11.013 -0.638 1.00 0.00 N ATOM 516 CA TYR A 34 -0.915 -12.429 -0.500 1.00 0.00 C ATOM 517 C TYR A 34 -1.817 -12.897 -1.634 1.00 0.00 C ATOM 518 O TYR A 34 -2.275 -12.094 -2.448 1.00 0.00 O ATOM 519 CB TYR A 34 -1.580 -12.711 0.851 1.00 0.00 C ATOM 520 CG TYR A 34 -0.717 -12.370 2.045 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.272 -13.240 2.484 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.895 -11.178 2.735 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.058 -12.934 3.577 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.113 -10.863 3.828 1.00 0.00 C ATOM 525 CZ TYR A 34 0.861 -11.744 4.246 1.00 0.00 C ATOM 526 OH TYR A 34 1.641 -11.433 5.338 1.00 0.00 O ATOM 0 H TYR A 34 -1.362 -10.393 -0.308 1.00 0.00 H new ATOM 0 HA TYR A 34 0.024 -12.980 -0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.508 -12.143 0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.848 -13.766 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.429 -14.172 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.658 -10.486 2.411 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.822 -13.622 3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.264 -9.931 4.353 1.00 0.00 H new ATOM 0 HH TYR A 34 1.374 -10.559 5.692 1.00 0.00 H new ATOM 536 N HIS A 35 -2.076 -14.195 -1.680 1.00 0.00 N ATOM 537 CA HIS A 35 -2.953 -14.761 -2.696 1.00 0.00 C ATOM 538 C HIS A 35 -4.396 -14.686 -2.211 1.00 0.00 C ATOM 539 O HIS A 35 -5.336 -14.765 -2.998 1.00 0.00 O ATOM 540 CB HIS A 35 -2.558 -16.214 -3.000 1.00 0.00 C ATOM 541 CG HIS A 35 -3.144 -16.750 -4.273 1.00 0.00 C ATOM 542 ND1 HIS A 35 -2.416 -16.887 -5.432 1.00 0.00 N ATOM 543 CD2 HIS A 35 -4.392 -17.186 -4.566 1.00 0.00 C ATOM 544 CE1 HIS A 35 -3.188 -17.378 -6.382 1.00 0.00 C ATOM 545 NE2 HIS A 35 -4.394 -17.570 -5.883 1.00 0.00 N ATOM 0 H HIS A 35 -1.692 -14.877 -1.026 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.854 -14.188 -3.618 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.471 -16.281 -3.055 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.874 -16.847 -2.171 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.231 -17.224 -3.888 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.884 -17.587 -7.397 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.195 -17.942 -6.392 1.00 0.00 H new ATOM 554 N SER A 36 -4.557 -14.532 -0.906 1.00 0.00 N ATOM 555 CA SER A 36 -5.871 -14.378 -0.305 1.00 0.00 C ATOM 556 C SER A 36 -6.336 -12.920 -0.420 1.00 0.00 C ATOM 557 O SER A 36 -5.757 -12.135 -1.178 1.00 0.00 O ATOM 558 CB SER A 36 -5.818 -14.823 1.162 1.00 0.00 C ATOM 559 OG SER A 36 -7.118 -14.959 1.708 1.00 0.00 O ATOM 0 H SER A 36 -3.786 -14.510 -0.238 1.00 0.00 H new ATOM 0 HA SER A 36 -6.590 -15.004 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.289 -15.773 1.237 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.251 -14.096 1.744 1.00 0.00 H new ATOM 0 HG SER A 36 -7.052 -15.245 2.643 1.00 0.00 H new ATOM 565 N ASP A 37 -7.367 -12.560 0.338 1.00 0.00 N ATOM 566 CA ASP A 37 -7.951 -11.221 0.265 1.00 0.00 C ATOM 567 C ASP A 37 -7.311 -10.279 1.284 1.00 0.00 C ATOM 568 O ASP A 37 -7.848 -9.217 1.591 1.00 0.00 O ATOM 569 CB ASP A 37 -9.472 -11.279 0.479 1.00 0.00 C ATOM 570 CG ASP A 37 -9.869 -11.788 1.854 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.925 -13.024 2.043 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.155 -10.960 2.745 1.00 0.00 O ATOM 0 H ASP A 37 -7.818 -13.178 1.013 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.751 -10.829 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.890 -10.283 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.914 -11.924 -0.281 1.00 0.00 H new ATOM 577 N GLN A 38 -6.152 -10.663 1.793 1.00 0.00 N ATOM 578 CA GLN A 38 -5.424 -9.830 2.739 1.00 0.00 C ATOM 579 C GLN A 38 -4.649 -8.750 1.985 1.00 0.00 C ATOM 580 O GLN A 38 -3.655 -9.044 1.316 1.00 0.00 O ATOM 581 CB GLN A 38 -4.464 -10.688 3.567 1.00 0.00 C ATOM 582 CG GLN A 38 -3.857 -9.965 4.759 1.00 0.00 C ATOM 583 CD GLN A 38 -4.863 -9.698 5.865 1.00 0.00 C ATOM 584 OE1 GLN A 38 -6.056 -9.514 5.616 1.00 0.00 O ATOM 585 NE2 GLN A 38 -4.390 -9.685 7.099 1.00 0.00 N ATOM 0 H GLN A 38 -5.694 -11.546 1.568 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.134 -9.353 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.997 -11.570 3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.660 -11.041 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.036 -10.560 5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.432 -9.018 4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.396 -9.841 7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.019 -9.519 7.885 1.00 0.00 H new ATOM 594 N VAL A 39 -5.111 -7.506 2.077 1.00 0.00 N ATOM 595 CA VAL A 39 -4.503 -6.410 1.329 1.00 0.00 C ATOM 596 C VAL A 39 -4.131 -5.250 2.245 1.00 0.00 C ATOM 597 O VAL A 39 -4.598 -5.168 3.381 1.00 0.00 O ATOM 598 CB VAL A 39 -5.441 -5.891 0.216 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.704 -6.976 -0.816 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.751 -5.377 0.804 1.00 0.00 C ATOM 0 H VAL A 39 -5.902 -7.232 2.660 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.598 -6.812 0.873 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.945 -5.059 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.367 -6.589 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.761 -7.286 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.173 -7.833 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.394 -5.017 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.253 -6.185 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.544 -4.561 1.496 1.00 0.00 H new ATOM 610 N PHE A 40 -3.282 -4.365 1.741 1.00 0.00 N ATOM 611 CA PHE A 40 -2.852 -3.186 2.482 1.00 0.00 C ATOM 612 C PHE A 40 -2.873 -1.967 1.566 1.00 0.00 C ATOM 613 O PHE A 40 -2.731 -2.101 0.350 1.00 0.00 O ATOM 614 CB PHE A 40 -1.444 -3.392 3.052 1.00 0.00 C ATOM 615 CG PHE A 40 -1.351 -4.508 4.057 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.593 -4.267 5.399 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.020 -5.794 3.660 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.508 -5.287 6.327 1.00 0.00 C ATOM 619 CE2 PHE A 40 -0.932 -6.818 4.583 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.177 -6.563 5.918 1.00 0.00 C ATOM 0 H PHE A 40 -2.873 -4.443 0.810 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.539 -3.024 3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.757 -3.597 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.113 -2.465 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.851 -3.270 5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.829 -5.998 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.700 -5.086 7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.672 -7.816 4.261 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.110 -7.362 6.642 1.00 0.00 H new ATOM 630 N ALA A 41 -3.054 -0.784 2.141 1.00 0.00 N ATOM 631 CA ALA A 41 -3.120 0.437 1.350 1.00 0.00 C ATOM 632 C ALA A 41 -2.415 1.591 2.053 1.00 0.00 C ATOM 633 O ALA A 41 -2.652 1.854 3.236 1.00 0.00 O ATOM 634 CB ALA A 41 -4.568 0.801 1.060 1.00 0.00 C ATOM 0 H ALA A 41 -3.157 -0.645 3.146 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.605 0.254 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.602 1.716 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.042 -0.008 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.099 0.957 1.999 1.00 0.00 H new ATOM 640 N ILE A 42 -1.547 2.273 1.318 1.00 0.00 N ATOM 641 CA ILE A 42 -0.799 3.405 1.853 1.00 0.00 C ATOM 642 C ILE A 42 -0.691 4.513 0.809 1.00 0.00 C ATOM 643 O ILE A 42 -1.161 4.356 -0.316 1.00 0.00 O ATOM 644 CB ILE A 42 0.615 2.985 2.323 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.301 2.116 1.262 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.545 2.254 3.658 1.00 0.00 C ATOM 647 CD1 ILE A 42 2.655 1.593 1.693 1.00 0.00 C ATOM 0 H ILE A 42 -1.342 2.060 0.342 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.345 3.778 2.719 1.00 0.00 H new ATOM 0 HB ILE A 42 1.211 3.887 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.654 1.272 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.419 2.698 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.550 1.968 3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.105 2.910 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.070 1.360 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.082 0.987 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.318 2.432 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.541 0.984 2.590 1.00 0.00 H new ATOM 659 N SER A 43 -0.094 5.635 1.187 1.00 0.00 N ATOM 660 CA SER A 43 0.062 6.769 0.282 1.00 0.00 C ATOM 661 C SER A 43 0.887 6.384 -0.944 1.00 0.00 C ATOM 662 O SER A 43 2.006 5.890 -0.813 1.00 0.00 O ATOM 663 CB SER A 43 0.721 7.932 1.023 1.00 0.00 C ATOM 664 OG SER A 43 1.873 7.497 1.724 1.00 0.00 O ATOM 0 H SER A 43 0.293 5.786 2.119 1.00 0.00 H new ATOM 0 HA SER A 43 -0.925 7.075 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.995 8.712 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.010 8.373 1.722 1.00 0.00 H new ATOM 0 HG SER A 43 2.347 6.826 1.190 1.00 0.00 H new ATOM 670 N ASN A 44 0.325 6.618 -2.128 1.00 0.00 N ATOM 671 CA ASN A 44 0.983 6.250 -3.381 1.00 0.00 C ATOM 672 C ASN A 44 2.212 7.117 -3.629 1.00 0.00 C ATOM 673 O ASN A 44 3.255 6.627 -4.051 1.00 0.00 O ATOM 674 CB ASN A 44 0.009 6.385 -4.555 1.00 0.00 C ATOM 675 CG ASN A 44 0.607 5.930 -5.874 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.440 5.022 -5.922 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.186 6.563 -6.956 1.00 0.00 N ATOM 0 H ASN A 44 -0.586 7.061 -2.247 1.00 0.00 H new ATOM 0 HA ASN A 44 1.303 5.211 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.887 5.800 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.304 7.425 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.552 6.305 -7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.505 7.309 -6.874 1.00 0.00 H new ATOM 684 N ILE A 45 2.086 8.407 -3.364 1.00 0.00 N ATOM 685 CA ILE A 45 3.204 9.316 -3.546 1.00 0.00 C ATOM 686 C ILE A 45 4.044 9.391 -2.281 1.00 0.00 C ATOM 687 O ILE A 45 3.581 9.864 -1.240 1.00 0.00 O ATOM 688 CB ILE A 45 2.743 10.738 -3.937 1.00 0.00 C ATOM 689 CG1 ILE A 45 1.966 10.707 -5.256 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.943 11.674 -4.049 1.00 0.00 C ATOM 691 CD1 ILE A 45 1.493 12.071 -5.714 1.00 0.00 C ATOM 0 H ILE A 45 1.229 8.845 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 45 3.803 8.917 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 45 2.082 11.113 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.598 10.272 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.103 10.051 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.602 12.672 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.460 11.720 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.626 11.300 -4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.951 11.971 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.834 12.500 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.353 12.725 -5.859 1.00 0.00 H new ATOM 703 N ASP A 46 5.270 8.896 -2.371 1.00 0.00 N ATOM 704 CA ASP A 46 6.232 9.034 -1.290 1.00 0.00 C ATOM 705 C ASP A 46 6.662 10.493 -1.179 1.00 0.00 C ATOM 706 O ASP A 46 7.179 11.077 -2.133 1.00 0.00 O ATOM 707 CB ASP A 46 7.435 8.110 -1.516 1.00 0.00 C ATOM 708 CG ASP A 46 8.764 8.747 -1.154 1.00 0.00 C ATOM 709 OD1 ASP A 46 8.972 9.104 0.026 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.608 8.892 -2.060 1.00 0.00 O ATOM 0 H ASP A 46 5.622 8.393 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 46 5.767 8.736 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.303 7.203 -0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.459 7.808 -2.563 1.00 0.00 H new ATOM 715 N PRO A 47 6.420 11.103 -0.016 1.00 0.00 N ATOM 716 CA PRO A 47 6.655 12.523 0.198 1.00 0.00 C ATOM 717 C PRO A 47 8.080 12.848 0.632 1.00 0.00 C ATOM 718 O PRO A 47 8.455 14.020 0.723 1.00 0.00 O ATOM 719 CB PRO A 47 5.669 12.850 1.313 1.00 0.00 C ATOM 720 CG PRO A 47 5.573 11.594 2.120 1.00 0.00 C ATOM 721 CD PRO A 47 5.875 10.448 1.186 1.00 0.00 C ATOM 0 HA PRO A 47 6.522 13.100 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.021 13.684 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.697 13.136 0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.280 11.613 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.578 11.488 2.552 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.594 9.755 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.978 9.874 0.956 1.00 0.00 H new ATOM 729 N PHE A 48 8.875 11.825 0.907 1.00 0.00 N ATOM 730 CA PHE A 48 10.231 12.047 1.378 1.00 0.00 C ATOM 731 C PHE A 48 11.209 12.095 0.211 1.00 0.00 C ATOM 732 O PHE A 48 11.926 13.078 0.030 1.00 0.00 O ATOM 733 CB PHE A 48 10.650 10.968 2.379 1.00 0.00 C ATOM 734 CG PHE A 48 11.960 11.271 3.053 1.00 0.00 C ATOM 735 CD1 PHE A 48 12.019 12.192 4.087 1.00 0.00 C ATOM 736 CD2 PHE A 48 13.131 10.647 2.647 1.00 0.00 C ATOM 737 CE1 PHE A 48 13.220 12.487 4.704 1.00 0.00 C ATOM 738 CE2 PHE A 48 14.333 10.938 3.263 1.00 0.00 C ATOM 739 CZ PHE A 48 14.379 11.858 4.292 1.00 0.00 C ATOM 0 H PHE A 48 8.608 10.845 0.813 1.00 0.00 H new ATOM 0 HA PHE A 48 10.252 13.011 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.874 10.861 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.726 10.011 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.116 12.685 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.103 9.927 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.252 13.208 5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 48 15.238 10.445 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 48 15.319 12.085 4.773 1.00 0.00 H new ATOM 749 N PHE A 49 11.218 11.040 -0.587 1.00 0.00 N ATOM 750 CA PHE A 49 12.167 10.921 -1.690 1.00 0.00 C ATOM 751 C PHE A 49 11.521 11.399 -2.991 1.00 0.00 C ATOM 752 O PHE A 49 12.196 11.576 -4.011 1.00 0.00 O ATOM 753 CB PHE A 49 12.626 9.460 -1.806 1.00 0.00 C ATOM 754 CG PHE A 49 13.754 9.230 -2.772 1.00 0.00 C ATOM 755 CD1 PHE A 49 15.057 9.547 -2.423 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.513 8.685 -4.022 1.00 0.00 C ATOM 757 CE1 PHE A 49 16.097 9.325 -3.304 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.549 8.463 -4.909 1.00 0.00 C ATOM 759 CZ PHE A 49 15.843 8.784 -4.549 1.00 0.00 C ATOM 0 H PHE A 49 10.579 10.250 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 49 13.038 11.548 -1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.933 9.111 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.776 8.849 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 49 15.261 9.972 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.503 8.430 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 49 17.109 9.574 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.347 8.039 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.655 8.612 -5.240 1.00 0.00 H new ATOM 769 N GLU A 50 10.213 11.638 -2.916 1.00 0.00 N ATOM 770 CA GLU A 50 9.391 12.014 -4.065 1.00 0.00 C ATOM 771 C GLU A 50 9.266 10.861 -5.043 1.00 0.00 C ATOM 772 O GLU A 50 9.900 10.848 -6.099 1.00 0.00 O ATOM 773 CB GLU A 50 9.914 13.252 -4.794 1.00 0.00 C ATOM 774 CG GLU A 50 9.713 14.551 -4.039 1.00 0.00 C ATOM 775 CD GLU A 50 9.998 15.752 -4.913 1.00 0.00 C ATOM 776 OE1 GLU A 50 11.163 15.926 -5.323 1.00 0.00 O ATOM 777 OE2 GLU A 50 9.054 16.507 -5.230 1.00 0.00 O ATOM 0 H GLU A 50 9.687 11.575 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 50 8.408 12.262 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.978 13.121 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.417 13.327 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.689 14.603 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.367 14.571 -3.167 1.00 0.00 H new ATOM 784 N SER A 51 8.478 9.876 -4.666 1.00 0.00 N ATOM 785 CA SER A 51 8.139 8.795 -5.564 1.00 0.00 C ATOM 786 C SER A 51 6.691 8.949 -6.002 1.00 0.00 C ATOM 787 O SER A 51 5.778 8.849 -5.184 1.00 0.00 O ATOM 788 CB SER A 51 8.356 7.450 -4.870 1.00 0.00 C ATOM 789 OG SER A 51 9.668 7.364 -4.328 1.00 0.00 O ATOM 0 H SER A 51 8.059 9.803 -3.739 1.00 0.00 H new ATOM 0 HA SER A 51 8.782 8.829 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.621 7.324 -4.075 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.198 6.640 -5.582 1.00 0.00 H new ATOM 0 HG SER A 51 9.731 7.933 -3.533 1.00 0.00 H new ATOM 795 N SER A 52 6.484 9.211 -7.285 1.00 0.00 N ATOM 796 CA SER A 52 5.149 9.451 -7.808 1.00 0.00 C ATOM 797 C SER A 52 4.319 8.173 -7.804 1.00 0.00 C ATOM 798 O SER A 52 3.094 8.215 -7.680 1.00 0.00 O ATOM 799 CB SER A 52 5.244 10.033 -9.216 1.00 0.00 C ATOM 800 OG SER A 52 6.228 9.354 -9.975 1.00 0.00 O ATOM 0 H SER A 52 7.226 9.263 -7.983 1.00 0.00 H new ATOM 0 HA SER A 52 4.646 10.170 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.277 9.955 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.489 11.094 -9.160 1.00 0.00 H new ATOM 0 HG SER A 52 6.272 9.741 -10.874 1.00 0.00 H new ATOM 806 N VAL A 53 4.990 7.038 -7.943 1.00 0.00 N ATOM 807 CA VAL A 53 4.322 5.753 -7.865 1.00 0.00 C ATOM 808 C VAL A 53 4.993 4.885 -6.811 1.00 0.00 C ATOM 809 O VAL A 53 6.196 4.636 -6.884 1.00 0.00 O ATOM 810 CB VAL A 53 4.373 5.000 -9.215 1.00 0.00 C ATOM 811 CG1 VAL A 53 3.381 3.848 -9.234 1.00 0.00 C ATOM 812 CG2 VAL A 53 4.128 5.941 -10.383 1.00 0.00 C ATOM 0 H VAL A 53 5.995 6.984 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 53 3.281 5.944 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 53 5.376 4.587 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.437 3.335 -10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.621 3.148 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.372 4.234 -9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.170 5.381 -11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.145 6.401 -10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.893 6.718 -10.391 1.00 0.00 H new ATOM 822 N LEU A 54 4.221 4.419 -5.844 1.00 0.00 N ATOM 823 CA LEU A 54 4.729 3.477 -4.859 1.00 0.00 C ATOM 824 C LEU A 54 4.454 2.060 -5.341 1.00 0.00 C ATOM 825 O LEU A 54 5.132 1.107 -4.961 1.00 0.00 O ATOM 826 CB LEU A 54 4.080 3.712 -3.493 1.00 0.00 C ATOM 827 CG LEU A 54 4.822 3.098 -2.305 1.00 0.00 C ATOM 828 CD1 LEU A 54 6.197 3.730 -2.150 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.014 3.272 -1.032 1.00 0.00 C ATOM 0 H LEU A 54 3.242 4.676 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 54 5.803 3.623 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.992 4.786 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.067 3.309 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 54 4.952 2.032 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.710 3.281 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.779 3.561 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.088 4.802 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.554 2.830 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.857 4.334 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.049 2.777 -1.143 1.00 0.00 H new ATOM 841 N SER A 55 3.451 1.950 -6.205 1.00 0.00 N ATOM 842 CA SER A 55 3.048 0.678 -6.784 1.00 0.00 C ATOM 843 C SER A 55 4.123 0.143 -7.741 1.00 0.00 C ATOM 844 O SER A 55 4.055 -0.999 -8.192 1.00 0.00 O ATOM 845 CB SER A 55 1.723 0.868 -7.524 1.00 0.00 C ATOM 846 OG SER A 55 0.852 1.712 -6.785 1.00 0.00 O ATOM 0 H SER A 55 2.895 2.743 -6.523 1.00 0.00 H new ATOM 0 HA SER A 55 2.923 -0.054 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.909 1.300 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.249 -0.100 -7.686 1.00 0.00 H new ATOM 0 HG SER A 55 0.579 2.470 -7.343 1.00 0.00 H new ATOM 852 N ARG A 56 5.121 0.977 -8.033 1.00 0.00 N ATOM 853 CA ARG A 56 6.221 0.598 -8.917 1.00 0.00 C ATOM 854 C ARG A 56 7.358 -0.028 -8.102 1.00 0.00 C ATOM 855 O ARG A 56 8.540 0.212 -8.358 1.00 0.00 O ATOM 856 CB ARG A 56 6.738 1.826 -9.687 1.00 0.00 C ATOM 857 CG ARG A 56 7.722 1.471 -10.796 1.00 0.00 C ATOM 858 CD ARG A 56 8.576 2.659 -11.208 1.00 0.00 C ATOM 859 NE ARG A 56 7.842 3.642 -12.002 1.00 0.00 N ATOM 860 CZ ARG A 56 8.436 4.602 -12.712 1.00 0.00 C ATOM 861 NH1 ARG A 56 9.759 4.717 -12.698 1.00 0.00 N ATOM 862 NH2 ARG A 56 7.717 5.448 -13.435 1.00 0.00 N ATOM 0 H ARG A 56 5.189 1.926 -7.667 1.00 0.00 H new ATOM 0 HA ARG A 56 5.854 -0.135 -9.636 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.891 2.359 -10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.220 2.509 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.368 0.660 -10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.173 1.103 -11.662 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.970 3.143 -10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.432 2.303 -11.782 1.00 0.00 H new ATOM 0 HE ARG A 56 6.823 3.591 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.321 4.071 -12.144 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.213 5.451 -13.241 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.700 5.368 -13.452 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.180 6.179 -13.975 1.00 0.00 H new ATOM 876 N GLY A 57 6.996 -0.854 -7.136 1.00 0.00 N ATOM 877 CA GLY A 57 7.987 -1.440 -6.262 1.00 0.00 C ATOM 878 C GLY A 57 7.755 -2.919 -6.058 1.00 0.00 C ATOM 879 O GLY A 57 6.680 -3.435 -6.376 1.00 0.00 O ATOM 0 H GLY A 57 6.033 -1.130 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.980 -1.283 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.966 -0.933 -5.297 1.00 0.00 H new ATOM 883 N LEU A 58 8.763 -3.604 -5.544 1.00 0.00 N ATOM 884 CA LEU A 58 8.704 -5.048 -5.395 1.00 0.00 C ATOM 885 C LEU A 58 8.556 -5.438 -3.933 1.00 0.00 C ATOM 886 O LEU A 58 8.994 -4.714 -3.039 1.00 0.00 O ATOM 887 CB LEU A 58 9.952 -5.695 -6.017 1.00 0.00 C ATOM 888 CG LEU A 58 11.309 -5.172 -5.516 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.742 -5.887 -4.243 1.00 0.00 C ATOM 890 CD2 LEU A 58 12.365 -5.323 -6.600 1.00 0.00 C ATOM 0 H LEU A 58 9.634 -3.182 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 58 7.825 -5.416 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.909 -6.768 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.908 -5.555 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 58 11.197 -4.114 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.704 -5.495 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.998 -5.724 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.833 -6.955 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.320 -4.949 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.465 -6.375 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.067 -4.753 -7.480 1.00 0.00 H new ATOM 902 N ILE A 59 7.930 -6.577 -3.695 1.00 0.00 N ATOM 903 CA ILE A 59 7.752 -7.078 -2.344 1.00 0.00 C ATOM 904 C ILE A 59 8.873 -8.052 -2.008 1.00 0.00 C ATOM 905 O ILE A 59 8.998 -9.108 -2.630 1.00 0.00 O ATOM 906 CB ILE A 59 6.383 -7.774 -2.176 1.00 0.00 C ATOM 907 CG1 ILE A 59 5.251 -6.815 -2.566 1.00 0.00 C ATOM 908 CG2 ILE A 59 6.203 -8.258 -0.742 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.874 -7.439 -2.518 1.00 0.00 C ATOM 0 H ILE A 59 7.535 -7.174 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 59 7.783 -6.230 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 59 6.349 -8.640 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.272 -5.954 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.435 -6.442 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.233 -8.746 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.993 -8.967 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.254 -7.408 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.129 -6.698 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.833 -8.283 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.667 -7.786 -1.506 1.00 0.00 H new ATOM 921 N ALA A 60 9.698 -7.682 -1.044 1.00 0.00 N ATOM 922 CA ALA A 60 10.846 -8.486 -0.671 1.00 0.00 C ATOM 923 C ALA A 60 10.720 -8.994 0.758 1.00 0.00 C ATOM 924 O ALA A 60 10.218 -8.290 1.641 1.00 0.00 O ATOM 925 CB ALA A 60 12.127 -7.686 -0.843 1.00 0.00 C ATOM 0 H ALA A 60 9.592 -6.824 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 60 10.883 -9.353 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.981 -8.301 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.229 -7.382 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.091 -6.801 -0.208 1.00 0.00 H new ATOM 931 N GLU A 61 11.186 -10.213 0.974 1.00 0.00 N ATOM 932 CA GLU A 61 11.119 -10.853 2.278 1.00 0.00 C ATOM 933 C GLU A 61 12.271 -10.364 3.164 1.00 0.00 C ATOM 934 O GLU A 61 13.189 -9.696 2.685 1.00 0.00 O ATOM 935 CB GLU A 61 11.179 -12.374 2.082 1.00 0.00 C ATOM 936 CG GLU A 61 10.195 -13.155 2.940 1.00 0.00 C ATOM 937 CD GLU A 61 10.613 -13.235 4.389 1.00 0.00 C ATOM 938 OE1 GLU A 61 10.310 -12.302 5.156 1.00 0.00 O ATOM 939 OE2 GLU A 61 11.263 -14.230 4.767 1.00 0.00 O ATOM 0 H GLU A 61 11.621 -10.787 0.251 1.00 0.00 H new ATOM 0 HA GLU A 61 10.185 -10.594 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.988 -12.601 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.189 -12.718 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.213 -12.686 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.093 -14.164 2.540 1.00 0.00 H new ATOM 946 N HIS A 62 12.207 -10.671 4.452 1.00 0.00 N ATOM 947 CA HIS A 62 13.265 -10.305 5.387 1.00 0.00 C ATOM 948 C HIS A 62 13.523 -11.448 6.375 1.00 0.00 C ATOM 949 O HIS A 62 14.645 -11.939 6.486 1.00 0.00 O ATOM 950 CB HIS A 62 12.885 -9.019 6.135 1.00 0.00 C ATOM 951 CG HIS A 62 13.978 -8.468 7.006 1.00 0.00 C ATOM 952 ND1 HIS A 62 14.961 -7.622 6.539 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.223 -8.624 8.329 1.00 0.00 C ATOM 954 CE1 HIS A 62 15.761 -7.290 7.533 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.335 -7.882 8.628 1.00 0.00 N ATOM 0 H HIS A 62 11.429 -11.176 4.877 1.00 0.00 H new ATOM 0 HA HIS A 62 14.183 -10.123 4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.598 -8.260 5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.008 -9.216 6.752 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.648 -9.223 9.020 1.00 0.00 H new ATOM 0 HE1 HIS A 62 16.621 -6.641 7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.763 -7.802 9.550 1.00 0.00 H new ATOM 964 N GLN A 63 12.476 -11.866 7.084 1.00 0.00 N ATOM 965 CA GLN A 63 12.570 -12.971 8.042 1.00 0.00 C ATOM 966 C GLN A 63 11.171 -13.408 8.475 1.00 0.00 C ATOM 967 O GLN A 63 10.966 -13.886 9.590 1.00 0.00 O ATOM 968 CB GLN A 63 13.402 -12.570 9.270 1.00 0.00 C ATOM 969 CG GLN A 63 12.829 -11.404 10.060 1.00 0.00 C ATOM 970 CD GLN A 63 13.595 -11.135 11.343 1.00 0.00 C ATOM 971 OE1 GLN A 63 13.027 -10.673 12.330 1.00 0.00 O ATOM 972 NE2 GLN A 63 14.887 -11.427 11.345 1.00 0.00 N ATOM 0 H GLN A 63 11.546 -11.454 7.013 1.00 0.00 H new ATOM 0 HA GLN A 63 13.071 -13.805 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.492 -13.432 9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.409 -12.312 8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.842 -10.508 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.786 -11.610 10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.325 -11.809 10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.444 -11.270 12.185 1.00 0.00 H new ATOM 981 N GLY A 64 10.226 -13.275 7.563 1.00 0.00 N ATOM 982 CA GLY A 64 8.831 -13.508 7.875 1.00 0.00 C ATOM 983 C GLY A 64 8.036 -12.227 7.764 1.00 0.00 C ATOM 984 O GLY A 64 7.050 -12.022 8.476 1.00 0.00 O ATOM 0 H GLY A 64 10.402 -13.005 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.422 -14.256 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.741 -13.911 8.884 1.00 0.00 H new ATOM 988 N GLU A 65 8.478 -11.355 6.867 1.00 0.00 N ATOM 989 CA GLU A 65 7.894 -10.035 6.717 1.00 0.00 C ATOM 990 C GLU A 65 7.770 -9.684 5.244 1.00 0.00 C ATOM 991 O GLU A 65 8.560 -10.142 4.420 1.00 0.00 O ATOM 992 CB GLU A 65 8.769 -8.983 7.396 1.00 0.00 C ATOM 993 CG GLU A 65 9.197 -9.337 8.807 1.00 0.00 C ATOM 994 CD GLU A 65 10.053 -8.257 9.422 1.00 0.00 C ATOM 995 OE1 GLU A 65 11.141 -7.977 8.877 1.00 0.00 O ATOM 996 OE2 GLU A 65 9.638 -7.679 10.445 1.00 0.00 O ATOM 0 H GLU A 65 9.249 -11.545 6.227 1.00 0.00 H new ATOM 0 HA GLU A 65 6.908 -10.046 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.660 -8.823 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.226 -8.038 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.314 -9.496 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.751 -10.276 8.794 1.00 0.00 H new ATOM 1003 N LEU A 66 6.791 -8.860 4.916 1.00 0.00 N ATOM 1004 CA LEU A 66 6.627 -8.398 3.550 1.00 0.00 C ATOM 1005 C LEU A 66 6.936 -6.910 3.455 1.00 0.00 C ATOM 1006 O LEU A 66 6.126 -6.061 3.842 1.00 0.00 O ATOM 1007 CB LEU A 66 5.215 -8.687 3.037 1.00 0.00 C ATOM 1008 CG LEU A 66 4.845 -10.170 2.945 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.461 -10.333 2.343 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.876 -10.933 2.125 1.00 0.00 C ATOM 0 H LEU A 66 6.100 -8.498 5.574 1.00 0.00 H new ATOM 0 HA LEU A 66 7.330 -8.943 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.499 -8.190 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.106 -8.240 2.049 1.00 0.00 H new ATOM 0 HG LEU A 66 4.837 -10.585 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.212 -11.393 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.729 -9.823 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.446 -9.901 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.593 -11.984 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.919 -10.518 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.855 -10.843 2.597 1.00 0.00 H new ATOM 1022 N TRP A 67 8.124 -6.605 2.959 1.00 0.00 N ATOM 1023 CA TRP A 67 8.554 -5.228 2.785 1.00 0.00 C ATOM 1024 C TRP A 67 8.442 -4.833 1.322 1.00 0.00 C ATOM 1025 O TRP A 67 8.816 -5.601 0.437 1.00 0.00 O ATOM 1026 CB TRP A 67 10.006 -5.050 3.248 1.00 0.00 C ATOM 1027 CG TRP A 67 10.223 -5.269 4.716 1.00 0.00 C ATOM 1028 CD1 TRP A 67 10.359 -6.466 5.361 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.349 -4.256 5.721 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.553 -6.259 6.705 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.550 -4.911 6.951 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.309 -2.860 5.701 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.709 -4.215 8.147 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.468 -2.171 6.888 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.666 -2.848 8.096 1.00 0.00 C ATOM 0 H TRP A 67 8.812 -7.299 2.668 1.00 0.00 H new ATOM 0 HA TRP A 67 7.910 -4.589 3.390 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.638 -5.743 2.693 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.335 -4.043 2.991 1.00 0.00 H new ATOM 0 HD1 TRP A 67 10.320 -7.434 4.884 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.679 -6.990 7.406 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.156 -2.328 4.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.861 -4.735 9.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.439 -1.091 6.883 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.787 -2.280 9.007 1.00 0.00 H new ATOM 1046 N VAL A 68 7.941 -3.640 1.065 1.00 0.00 N ATOM 1047 CA VAL A 68 7.877 -3.134 -0.295 1.00 0.00 C ATOM 1048 C VAL A 68 9.083 -2.240 -0.558 1.00 0.00 C ATOM 1049 O VAL A 68 9.305 -1.248 0.138 1.00 0.00 O ATOM 1050 CB VAL A 68 6.554 -2.374 -0.580 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.347 -1.222 0.393 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.517 -1.876 -2.016 1.00 0.00 C ATOM 0 H VAL A 68 7.574 -3.005 1.774 1.00 0.00 H new ATOM 0 HA VAL A 68 7.897 -3.986 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 68 5.735 -3.078 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.411 -0.714 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.308 -1.608 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.174 -0.517 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.581 -1.346 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.355 -1.200 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.589 -2.724 -2.697 1.00 0.00 H new ATOM 1062 N ALA A 69 9.886 -2.626 -1.533 1.00 0.00 N ATOM 1063 CA ALA A 69 11.107 -1.909 -1.837 1.00 0.00 C ATOM 1064 C ALA A 69 10.931 -1.045 -3.073 1.00 0.00 C ATOM 1065 O ALA A 69 10.582 -1.544 -4.147 1.00 0.00 O ATOM 1066 CB ALA A 69 12.260 -2.883 -2.025 1.00 0.00 C ATOM 0 H ALA A 69 9.712 -3.435 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 69 11.339 -1.255 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.171 -2.329 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.404 -3.457 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.033 -3.562 -2.847 1.00 0.00 H new ATOM 1072 N SER A 70 11.152 0.247 -2.905 1.00 0.00 N ATOM 1073 CA SER A 70 11.101 1.185 -4.011 1.00 0.00 C ATOM 1074 C SER A 70 12.432 1.172 -4.761 1.00 0.00 C ATOM 1075 O SER A 70 13.451 1.639 -4.242 1.00 0.00 O ATOM 1076 CB SER A 70 10.788 2.594 -3.494 1.00 0.00 C ATOM 1077 OG SER A 70 10.760 3.539 -4.551 1.00 0.00 O ATOM 0 H SER A 70 11.370 0.673 -2.004 1.00 0.00 H new ATOM 0 HA SER A 70 10.309 0.887 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.826 2.590 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.538 2.889 -2.760 1.00 0.00 H new ATOM 0 HG SER A 70 10.557 4.427 -4.190 1.00 0.00 H new ATOM 1083 N PRO A 71 12.437 0.632 -5.994 1.00 0.00 N ATOM 1084 CA PRO A 71 13.650 0.501 -6.809 1.00 0.00 C ATOM 1085 C PRO A 71 14.163 1.852 -7.290 1.00 0.00 C ATOM 1086 O PRO A 71 15.252 1.950 -7.854 1.00 0.00 O ATOM 1087 CB PRO A 71 13.206 -0.360 -8.003 1.00 0.00 C ATOM 1088 CG PRO A 71 11.869 -0.907 -7.624 1.00 0.00 C ATOM 1089 CD PRO A 71 11.263 0.099 -6.692 1.00 0.00 C ATOM 0 HA PRO A 71 14.471 0.062 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.143 0.235 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.918 -1.162 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.242 -1.051 -8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.967 -1.879 -7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.723 0.878 -7.231 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.555 -0.361 -6.003 1.00 0.00 H new ATOM 1097 N LEU A 72 13.370 2.892 -7.052 1.00 0.00 N ATOM 1098 CA LEU A 72 13.754 4.249 -7.408 1.00 0.00 C ATOM 1099 C LEU A 72 14.953 4.683 -6.568 1.00 0.00 C ATOM 1100 O LEU A 72 15.761 5.509 -6.989 1.00 0.00 O ATOM 1101 CB LEU A 72 12.574 5.203 -7.193 1.00 0.00 C ATOM 1102 CG LEU A 72 11.274 4.804 -7.904 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.141 5.737 -7.510 1.00 0.00 C ATOM 1104 CD2 LEU A 72 11.452 4.810 -9.417 1.00 0.00 C ATOM 0 H LEU A 72 12.453 2.817 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 72 14.034 4.279 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.377 5.276 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.865 6.197 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 72 11.022 3.791 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.228 5.438 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.984 5.684 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.397 6.759 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.515 4.523 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.736 5.810 -9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.232 4.101 -9.694 1.00 0.00 H new ATOM 1116 N LYS A 73 15.065 4.099 -5.380 1.00 0.00 N ATOM 1117 CA LYS A 73 16.198 4.345 -4.501 1.00 0.00 C ATOM 1118 C LYS A 73 16.649 3.027 -3.875 1.00 0.00 C ATOM 1119 O LYS A 73 17.438 2.296 -4.470 1.00 0.00 O ATOM 1120 CB LYS A 73 15.826 5.373 -3.419 1.00 0.00 C ATOM 1121 CG LYS A 73 16.961 5.738 -2.468 1.00 0.00 C ATOM 1122 CD LYS A 73 18.103 6.452 -3.174 1.00 0.00 C ATOM 1123 CE LYS A 73 19.118 6.981 -2.172 1.00 0.00 C ATOM 1124 NZ LYS A 73 20.262 7.667 -2.831 1.00 0.00 N ATOM 0 H LYS A 73 14.377 3.447 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 73 17.023 4.759 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.473 6.282 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.993 4.980 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.574 6.375 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.340 4.832 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.593 5.767 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.709 7.277 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.625 7.675 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.493 6.155 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.925 8.009 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.751 6.999 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.910 8.473 -3.387 1.00 0.00 H new ATOM 1138 N LYS A 74 16.109 2.722 -2.695 1.00 0.00 N ATOM 1139 CA LYS A 74 16.400 1.475 -1.982 1.00 0.00 C ATOM 1140 C LYS A 74 15.553 1.393 -0.719 1.00 0.00 C ATOM 1141 O LYS A 74 15.875 0.659 0.215 1.00 0.00 O ATOM 1142 CB LYS A 74 17.885 1.382 -1.610 1.00 0.00 C ATOM 1143 CG LYS A 74 18.659 0.366 -2.436 1.00 0.00 C ATOM 1144 CD LYS A 74 20.118 0.300 -2.014 1.00 0.00 C ATOM 1145 CE LYS A 74 20.875 -0.767 -2.790 1.00 0.00 C ATOM 1146 NZ LYS A 74 20.285 -2.118 -2.597 1.00 0.00 N ATOM 0 H LYS A 74 15.456 3.333 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 74 16.159 0.643 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.344 2.363 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.971 1.121 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.202 -0.618 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.596 0.630 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.588 1.270 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.180 0.088 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.869 -0.517 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.917 -0.777 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.958 -2.841 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.079 -2.266 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.404 -2.194 -3.145 1.00 0.00 H new ATOM 1160 N GLN A 75 14.451 2.132 -0.716 1.00 0.00 N ATOM 1161 CA GLN A 75 13.617 2.276 0.470 1.00 0.00 C ATOM 1162 C GLN A 75 12.666 1.095 0.623 1.00 0.00 C ATOM 1163 O GLN A 75 11.950 0.746 -0.314 1.00 0.00 O ATOM 1164 CB GLN A 75 12.816 3.576 0.384 1.00 0.00 C ATOM 1165 CG GLN A 75 13.687 4.820 0.371 1.00 0.00 C ATOM 1166 CD GLN A 75 14.396 5.040 1.691 1.00 0.00 C ATOM 1167 OE1 GLN A 75 15.497 4.540 1.914 1.00 0.00 O ATOM 1168 NE2 GLN A 75 13.767 5.797 2.571 1.00 0.00 N ATOM 0 H GLN A 75 14.112 2.645 -1.530 1.00 0.00 H new ATOM 0 HA GLN A 75 14.269 2.303 1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.206 3.559 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.132 3.629 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 75 14.426 4.735 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.071 5.690 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.854 6.192 2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.194 5.987 3.478 1.00 0.00 H new ATOM 1177 N ARG A 76 12.670 0.484 1.800 1.00 0.00 N ATOM 1178 CA ARG A 76 11.773 -0.627 2.088 1.00 0.00 C ATOM 1179 C ARG A 76 10.754 -0.222 3.147 1.00 0.00 C ATOM 1180 O ARG A 76 11.117 0.220 4.240 1.00 0.00 O ATOM 1181 CB ARG A 76 12.559 -1.855 2.559 1.00 0.00 C ATOM 1182 CG ARG A 76 13.526 -2.398 1.519 1.00 0.00 C ATOM 1183 CD ARG A 76 14.268 -3.628 2.023 1.00 0.00 C ATOM 1184 NE ARG A 76 13.360 -4.740 2.327 1.00 0.00 N ATOM 1185 CZ ARG A 76 13.684 -6.028 2.184 1.00 0.00 C ATOM 1186 NH1 ARG A 76 14.885 -6.370 1.734 1.00 0.00 N ATOM 1187 NH2 ARG A 76 12.809 -6.976 2.497 1.00 0.00 N ATOM 0 H ARG A 76 13.286 0.740 2.572 1.00 0.00 H new ATOM 0 HA ARG A 76 11.247 -0.886 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.116 -1.595 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.856 -2.641 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.979 -2.651 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.245 -1.624 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.991 -3.947 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.833 -3.368 2.918 1.00 0.00 H new ATOM 0 HE ARG A 76 12.425 -4.516 2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.565 -5.648 1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.128 -7.355 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.886 -6.722 2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.060 -7.958 2.386 1.00 0.00 H new ATOM 1201 N PHE A 77 9.481 -0.361 2.808 1.00 0.00 N ATOM 1202 CA PHE A 77 8.399 -0.012 3.719 1.00 0.00 C ATOM 1203 C PHE A 77 7.660 -1.268 4.175 1.00 0.00 C ATOM 1204 O PHE A 77 7.491 -2.212 3.403 1.00 0.00 O ATOM 1205 CB PHE A 77 7.408 0.938 3.039 1.00 0.00 C ATOM 1206 CG PHE A 77 8.020 2.218 2.538 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.550 2.295 1.259 1.00 0.00 C ATOM 1208 CD2 PHE A 77 8.055 3.345 3.342 1.00 0.00 C ATOM 1209 CE1 PHE A 77 9.106 3.471 0.795 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.608 4.525 2.882 1.00 0.00 C ATOM 1211 CZ PHE A 77 9.135 4.588 1.607 1.00 0.00 C ATOM 0 H PHE A 77 9.170 -0.715 1.903 1.00 0.00 H new ATOM 0 HA PHE A 77 8.835 0.485 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.943 0.419 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.613 1.181 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.528 1.426 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.645 3.301 4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.518 3.517 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.628 5.397 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.569 5.509 1.246 1.00 0.00 H new ATOM 1221 N ARG A 78 7.231 -1.282 5.429 1.00 0.00 N ATOM 1222 CA ARG A 78 6.449 -2.390 5.954 1.00 0.00 C ATOM 1223 C ARG A 78 4.968 -2.119 5.710 1.00 0.00 C ATOM 1224 O ARG A 78 4.402 -1.180 6.275 1.00 0.00 O ATOM 1225 CB ARG A 78 6.729 -2.588 7.448 1.00 0.00 C ATOM 1226 CG ARG A 78 6.157 -3.882 8.010 1.00 0.00 C ATOM 1227 CD ARG A 78 6.593 -4.112 9.452 1.00 0.00 C ATOM 1228 NE ARG A 78 6.049 -3.108 10.369 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.752 -2.518 11.337 1.00 0.00 C ATOM 1230 NH1 ARG A 78 8.024 -2.836 11.540 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.169 -1.626 12.122 1.00 0.00 N ATOM 0 H ARG A 78 7.412 -0.537 6.102 1.00 0.00 H new ATOM 0 HA ARG A 78 6.733 -3.308 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.807 -2.576 7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.313 -1.746 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.069 -3.851 7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.481 -4.721 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.272 -5.103 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.682 -4.097 9.506 1.00 0.00 H new ATOM 0 HE ARG A 78 5.070 -2.843 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.474 -3.538 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.552 -2.378 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.186 -1.392 11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.703 -1.173 12.863 1.00 0.00 H new ATOM 1245 N LEU A 79 4.357 -2.949 4.869 1.00 0.00 N ATOM 1246 CA LEU A 79 2.988 -2.733 4.387 1.00 0.00 C ATOM 1247 C LEU A 79 1.974 -2.559 5.517 1.00 0.00 C ATOM 1248 O LEU A 79 0.999 -1.823 5.369 1.00 0.00 O ATOM 1249 CB LEU A 79 2.561 -3.904 3.497 1.00 0.00 C ATOM 1250 CG LEU A 79 3.344 -4.052 2.192 1.00 0.00 C ATOM 1251 CD1 LEU A 79 2.939 -5.329 1.474 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.120 -2.843 1.295 1.00 0.00 C ATOM 0 H LEU A 79 4.795 -3.793 4.499 1.00 0.00 H new ATOM 0 HA LEU A 79 2.999 -1.803 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.660 -4.827 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.504 -3.790 3.256 1.00 0.00 H new ATOM 0 HG LEU A 79 4.406 -4.110 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.505 -5.420 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.148 -6.187 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.873 -5.296 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.685 -2.966 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.059 -2.754 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.456 -1.942 1.808 1.00 0.00 H new ATOM 1264 N SER A 80 2.208 -3.221 6.641 1.00 0.00 N ATOM 1265 CA SER A 80 1.244 -3.231 7.734 1.00 0.00 C ATOM 1266 C SER A 80 1.058 -1.845 8.357 1.00 0.00 C ATOM 1267 O SER A 80 -0.063 -1.440 8.663 1.00 0.00 O ATOM 1268 CB SER A 80 1.683 -4.241 8.793 1.00 0.00 C ATOM 1269 OG SER A 80 3.039 -4.046 9.154 1.00 0.00 O ATOM 0 H SER A 80 3.056 -3.758 6.821 1.00 0.00 H new ATOM 0 HA SER A 80 0.277 -3.524 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.051 -4.144 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.547 -5.253 8.413 1.00 0.00 H new ATOM 0 HG SER A 80 3.103 -3.315 9.804 1.00 0.00 H new ATOM 1275 N ASP A 81 2.151 -1.113 8.532 1.00 0.00 N ATOM 1276 CA ASP A 81 2.092 0.192 9.189 1.00 0.00 C ATOM 1277 C ASP A 81 2.331 1.322 8.201 1.00 0.00 C ATOM 1278 O ASP A 81 2.024 2.482 8.484 1.00 0.00 O ATOM 1279 CB ASP A 81 3.140 0.291 10.303 1.00 0.00 C ATOM 1280 CG ASP A 81 2.946 -0.729 11.403 1.00 0.00 C ATOM 1281 OD1 ASP A 81 2.140 -0.476 12.326 1.00 0.00 O ATOM 1282 OD2 ASP A 81 3.616 -1.778 11.365 1.00 0.00 O ATOM 0 H ASP A 81 3.084 -1.396 8.232 1.00 0.00 H new ATOM 0 HA ASP A 81 1.092 0.288 9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.132 0.164 9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.107 1.291 10.735 1.00 0.00 H new ATOM 1287 N GLY A 82 2.880 0.987 7.043 1.00 0.00 N ATOM 1288 CA GLY A 82 3.348 2.011 6.133 1.00 0.00 C ATOM 1289 C GLY A 82 4.625 2.628 6.659 1.00 0.00 C ATOM 1290 O GLY A 82 4.947 3.780 6.374 1.00 0.00 O ATOM 0 H GLY A 82 3.009 0.029 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.522 1.580 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.585 2.780 6.015 1.00 0.00 H new ATOM 1294 N LEU A 83 5.344 1.836 7.440 1.00 0.00 N ATOM 1295 CA LEU A 83 6.537 2.289 8.127 1.00 0.00 C ATOM 1296 C LEU A 83 7.766 2.068 7.262 1.00 0.00 C ATOM 1297 O LEU A 83 7.911 1.012 6.651 1.00 0.00 O ATOM 1298 CB LEU A 83 6.700 1.518 9.437 1.00 0.00 C ATOM 1299 CG LEU A 83 7.814 2.020 10.353 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.270 3.036 11.344 1.00 0.00 C ATOM 1301 CD2 LEU A 83 8.486 0.859 11.072 1.00 0.00 C ATOM 0 H LEU A 83 5.113 0.858 7.614 1.00 0.00 H new ATOM 0 HA LEU A 83 6.435 3.354 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.757 1.557 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.889 0.470 9.202 1.00 0.00 H new ATOM 0 HG LEU A 83 8.568 2.514 9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.077 3.383 11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.848 3.883 10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.494 2.571 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.276 1.240 11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.749 0.328 11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.915 0.176 10.339 1.00 0.00 H new ATOM 1313 N CYS A 84 8.644 3.052 7.212 1.00 0.00 N ATOM 1314 CA CYS A 84 9.904 2.887 6.517 1.00 0.00 C ATOM 1315 C CYS A 84 10.914 2.265 7.471 1.00 0.00 C ATOM 1316 O CYS A 84 10.859 2.503 8.675 1.00 0.00 O ATOM 1317 CB CYS A 84 10.421 4.222 5.985 1.00 0.00 C ATOM 1318 SG CYS A 84 11.820 4.056 4.849 1.00 0.00 S ATOM 0 H CYS A 84 8.509 3.967 7.641 1.00 0.00 H new ATOM 0 HA CYS A 84 9.755 2.231 5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.609 4.739 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.719 4.848 6.826 1.00 0.00 H new ATOM 0 HG CYS A 84 12.798 4.813 5.251 1.00 0.00 H new ATOM 1324 N MET A 85 11.821 1.466 6.929 1.00 0.00 N ATOM 1325 CA MET A 85 12.781 0.724 7.737 1.00 0.00 C ATOM 1326 C MET A 85 13.618 1.646 8.630 1.00 0.00 C ATOM 1327 O MET A 85 13.485 1.619 9.852 1.00 0.00 O ATOM 1328 CB MET A 85 13.686 -0.108 6.828 1.00 0.00 C ATOM 1329 CG MET A 85 14.531 -1.127 7.570 1.00 0.00 C ATOM 1330 SD MET A 85 15.463 -2.185 6.449 1.00 0.00 S ATOM 1331 CE MET A 85 16.213 -3.323 7.612 1.00 0.00 C ATOM 0 H MET A 85 11.913 1.313 5.925 1.00 0.00 H new ATOM 0 HA MET A 85 12.221 0.062 8.398 1.00 0.00 H new ATOM 0 HB2 MET A 85 13.069 -0.627 6.094 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.344 0.562 6.275 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.221 -0.608 8.235 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.887 -1.743 8.197 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.825 -4.045 7.071 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.839 -2.769 8.312 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.432 -3.849 8.162 1.00 0.00 H new ATOM 1341 N GLU A 86 14.476 2.459 8.028 1.00 0.00 N ATOM 1342 CA GLU A 86 15.365 3.329 8.797 1.00 0.00 C ATOM 1343 C GLU A 86 14.736 4.705 9.015 1.00 0.00 C ATOM 1344 O GLU A 86 15.122 5.456 9.910 1.00 0.00 O ATOM 1345 CB GLU A 86 16.708 3.458 8.078 1.00 0.00 C ATOM 1346 CG GLU A 86 17.749 4.250 8.852 1.00 0.00 C ATOM 1347 CD GLU A 86 19.106 4.225 8.187 1.00 0.00 C ATOM 1348 OE1 GLU A 86 19.867 3.265 8.428 1.00 0.00 O ATOM 1349 OE2 GLU A 86 19.420 5.160 7.426 1.00 0.00 O ATOM 0 H GLU A 86 14.577 2.536 7.016 1.00 0.00 H new ATOM 0 HA GLU A 86 15.527 2.881 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.099 2.460 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.547 3.936 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.415 5.283 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.834 3.844 9.860 1.00 0.00 H new ATOM 1356 N ASP A 87 13.743 5.009 8.199 1.00 0.00 N ATOM 1357 CA ASP A 87 13.100 6.322 8.195 1.00 0.00 C ATOM 1358 C ASP A 87 11.844 6.323 9.049 1.00 0.00 C ATOM 1359 O ASP A 87 11.060 7.257 8.979 1.00 0.00 O ATOM 1360 CB ASP A 87 12.753 6.754 6.770 1.00 0.00 C ATOM 1361 CG ASP A 87 13.973 6.850 5.886 1.00 0.00 C ATOM 1362 OD1 ASP A 87 14.622 7.915 5.874 1.00 0.00 O ATOM 1363 OD2 ASP A 87 14.290 5.852 5.207 1.00 0.00 O ATOM 0 H ASP A 87 13.355 4.356 7.518 1.00 0.00 H new ATOM 0 HA ASP A 87 13.810 7.032 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.050 6.042 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.251 7.721 6.798 1.00 0.00 H new ATOM 1368 N GLU A 88 11.665 5.247 9.815 1.00 0.00 N ATOM 1369 CA GLU A 88 10.430 4.949 10.563 1.00 0.00 C ATOM 1370 C GLU A 88 9.674 6.177 11.108 1.00 0.00 C ATOM 1371 O GLU A 88 8.446 6.217 11.027 1.00 0.00 O ATOM 1372 CB GLU A 88 10.748 3.985 11.716 1.00 0.00 C ATOM 1373 CG GLU A 88 11.865 4.457 12.637 1.00 0.00 C ATOM 1374 CD GLU A 88 12.120 3.492 13.775 1.00 0.00 C ATOM 1375 OE1 GLU A 88 11.417 3.577 14.803 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.025 2.640 13.656 1.00 0.00 O ATOM 0 H GLU A 88 12.388 4.538 9.940 1.00 0.00 H new ATOM 0 HA GLU A 88 9.755 4.497 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.845 3.834 12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.022 3.016 11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.780 4.583 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.608 5.435 13.044 1.00 0.00 H new ATOM 1383 N GLN A 89 10.370 7.172 11.649 1.00 0.00 N ATOM 1384 CA GLN A 89 9.691 8.345 12.208 1.00 0.00 C ATOM 1385 C GLN A 89 8.992 9.157 11.111 1.00 0.00 C ATOM 1386 O GLN A 89 7.934 9.748 11.335 1.00 0.00 O ATOM 1387 CB GLN A 89 10.677 9.232 12.974 1.00 0.00 C ATOM 1388 CG GLN A 89 10.026 10.443 13.629 1.00 0.00 C ATOM 1389 CD GLN A 89 10.988 11.242 14.486 1.00 0.00 C ATOM 1390 OE1 GLN A 89 12.189 11.278 14.228 1.00 0.00 O ATOM 1391 NE2 GLN A 89 10.463 11.899 15.509 1.00 0.00 N ATOM 0 H GLN A 89 11.388 7.195 11.714 1.00 0.00 H new ATOM 0 HA GLN A 89 8.932 7.985 12.903 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.169 8.635 13.742 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.453 9.573 12.289 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.614 11.090 12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 89 9.190 10.111 14.244 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.461 11.844 15.690 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.061 12.460 16.116 1.00 0.00 H new ATOM 1400 N PHE A 90 9.571 9.147 9.922 1.00 0.00 N ATOM 1401 CA PHE A 90 9.060 9.915 8.793 1.00 0.00 C ATOM 1402 C PHE A 90 8.411 8.988 7.765 1.00 0.00 C ATOM 1403 O PHE A 90 8.586 9.163 6.557 1.00 0.00 O ATOM 1404 CB PHE A 90 10.205 10.694 8.131 1.00 0.00 C ATOM 1405 CG PHE A 90 10.924 11.633 9.060 1.00 0.00 C ATOM 1406 CD1 PHE A 90 10.474 12.931 9.239 1.00 0.00 C ATOM 1407 CD2 PHE A 90 12.051 11.218 9.751 1.00 0.00 C ATOM 1408 CE1 PHE A 90 11.133 13.796 10.091 1.00 0.00 C ATOM 1409 CE2 PHE A 90 12.715 12.079 10.602 1.00 0.00 C ATOM 1410 CZ PHE A 90 12.255 13.369 10.773 1.00 0.00 C ATOM 0 H PHE A 90 10.410 8.606 9.709 1.00 0.00 H new ATOM 0 HA PHE A 90 8.309 10.614 9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.924 9.985 7.721 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.805 11.264 7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.598 13.271 8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.414 10.209 9.622 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.771 14.805 10.223 1.00 0.00 H new ATOM 0 HE2 PHE A 90 13.593 11.743 11.133 1.00 0.00 H new ATOM 0 HZ PHE A 90 12.772 14.044 11.439 1.00 0.00 H new ATOM 1420 N SER A 91 7.651 8.015 8.249 1.00 0.00 N ATOM 1421 CA SER A 91 7.003 7.037 7.378 1.00 0.00 C ATOM 1422 C SER A 91 5.846 7.654 6.587 1.00 0.00 C ATOM 1423 O SER A 91 5.514 8.832 6.757 1.00 0.00 O ATOM 1424 CB SER A 91 6.506 5.852 8.200 1.00 0.00 C ATOM 1425 OG SER A 91 7.593 5.153 8.784 1.00 0.00 O ATOM 0 H SER A 91 7.466 7.880 9.243 1.00 0.00 H new ATOM 0 HA SER A 91 7.746 6.693 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.832 6.203 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.933 5.177 7.564 1.00 0.00 H new ATOM 0 HG SER A 91 7.739 5.479 9.697 1.00 0.00 H new ATOM 1431 N VAL A 92 5.223 6.845 5.736 1.00 0.00 N ATOM 1432 CA VAL A 92 4.184 7.335 4.843 1.00 0.00 C ATOM 1433 C VAL A 92 2.800 7.217 5.479 1.00 0.00 C ATOM 1434 O VAL A 92 2.666 6.831 6.644 1.00 0.00 O ATOM 1435 CB VAL A 92 4.195 6.586 3.491 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.515 6.808 2.768 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.932 5.098 3.681 1.00 0.00 C ATOM 0 H VAL A 92 5.421 5.848 5.647 1.00 0.00 H new ATOM 0 HA VAL A 92 4.400 8.388 4.661 1.00 0.00 H new ATOM 0 HB VAL A 92 3.390 6.991 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.504 6.273 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.654 7.873 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.334 6.437 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.946 4.599 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.705 4.671 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.957 4.957 4.147 1.00 0.00 H new ATOM 1447 N LYS A 93 1.779 7.555 4.707 1.00 0.00 N ATOM 1448 CA LYS A 93 0.413 7.609 5.206 1.00 0.00 C ATOM 1449 C LYS A 93 -0.257 6.244 5.062 1.00 0.00 C ATOM 1450 O LYS A 93 -0.304 5.682 3.970 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.359 8.672 4.421 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.648 9.132 5.074 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.356 10.149 4.194 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.563 10.760 4.883 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.167 11.650 6.004 1.00 0.00 N ATOM 0 H LYS A 93 1.873 7.799 3.721 1.00 0.00 H new ATOM 0 HA LYS A 93 0.418 7.872 6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.287 9.537 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.590 8.277 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.300 8.276 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.433 9.572 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.657 10.939 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.673 9.668 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.147 11.327 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.207 9.966 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.991 12.202 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.815 11.075 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.418 12.297 5.686 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.766 5.715 6.167 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.374 4.386 6.177 1.00 0.00 C ATOM 1471 C HIS A 94 -2.892 4.477 6.307 1.00 0.00 C ATOM 1472 O HIS A 94 -3.413 5.148 7.200 1.00 0.00 O ATOM 1473 CB HIS A 94 -0.784 3.551 7.325 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.452 2.221 7.540 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.095 1.890 8.713 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.568 1.136 6.733 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.582 0.668 8.620 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.277 0.189 7.432 1.00 0.00 N ATOM 0 H HIS A 94 -0.771 6.186 7.072 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.150 3.897 5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.275 3.383 7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.849 4.128 8.247 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.177 1.036 5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.137 0.149 9.388 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.527 -0.737 7.086 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.592 3.793 5.411 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.049 3.756 5.432 1.00 0.00 C ATOM 1489 C TYR A 95 -5.531 2.390 5.907 1.00 0.00 C ATOM 1490 O TYR A 95 -4.747 1.445 5.984 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.614 4.038 4.037 1.00 0.00 C ATOM 1492 CG TYR A 95 -5.194 5.370 3.456 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -4.037 5.485 2.694 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -5.960 6.510 3.660 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -3.657 6.697 2.153 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -5.586 7.726 3.123 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.434 7.814 2.370 1.00 0.00 C ATOM 1498 OH TYR A 95 -4.061 9.023 1.830 1.00 0.00 O ATOM 0 H TYR A 95 -3.171 3.253 4.655 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.401 4.525 6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.297 3.243 3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.702 4.002 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.425 4.612 2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.863 6.445 4.248 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.755 6.769 1.563 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.192 8.604 3.292 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.717 9.708 2.077 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.812 2.289 6.225 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.399 1.014 6.614 1.00 0.00 C ATOM 1510 C GLU A 96 -8.046 0.347 5.405 1.00 0.00 C ATOM 1511 O GLU A 96 -8.792 0.988 4.665 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.430 1.215 7.723 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.834 1.741 9.018 1.00 0.00 C ATOM 1514 CD GLU A 96 -8.868 1.863 10.115 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -9.195 0.839 10.746 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -9.376 2.977 10.340 1.00 0.00 O ATOM 0 H GLU A 96 -7.465 3.072 6.222 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.608 0.367 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.194 1.910 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.928 0.266 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.036 1.075 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.381 2.716 8.838 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.756 -0.933 5.208 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.233 -1.650 4.032 1.00 0.00 C ATOM 1525 C ALA A 97 -9.029 -2.892 4.416 1.00 0.00 C ATOM 1526 O ALA A 97 -8.757 -3.528 5.438 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.055 -2.039 3.149 1.00 0.00 C ATOM 0 H ALA A 97 -7.194 -1.495 5.846 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.898 -0.985 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.419 -2.574 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.526 -1.140 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.376 -2.681 3.710 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.019 -3.224 3.596 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.814 -4.432 3.781 1.00 0.00 C ATOM 1535 C ARG A 98 -11.412 -4.866 2.451 1.00 0.00 C ATOM 1536 O ARG A 98 -11.557 -4.055 1.536 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.944 -4.200 4.791 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.879 -3.070 4.391 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.059 -2.936 5.339 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.166 -3.824 4.988 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.445 -3.522 5.215 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.764 -2.355 5.765 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.405 -4.378 4.893 1.00 0.00 N ATOM 0 H ARG A 98 -10.293 -2.666 2.787 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.157 -5.212 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.520 -5.119 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.511 -3.977 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.324 -2.132 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.246 -3.246 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.731 -3.155 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.410 -1.904 5.333 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.950 -4.718 4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.031 -1.691 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.742 -2.123 5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.168 -5.275 4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.381 -4.140 5.070 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.757 -6.136 2.347 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.391 -6.654 1.150 1.00 0.00 C ATOM 1559 C VAL A 99 -13.876 -6.906 1.394 1.00 0.00 C ATOM 1560 O VAL A 99 -14.257 -7.771 2.180 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.694 -7.940 0.658 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.434 -8.549 -0.522 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.251 -7.638 0.279 1.00 0.00 C ATOM 0 H VAL A 99 -11.608 -6.830 3.080 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.292 -5.901 0.368 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.705 -8.666 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.920 -9.453 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.452 -8.798 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.461 -7.833 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.767 -8.551 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.232 -6.893 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.719 -7.253 1.149 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.695 -6.113 0.725 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.146 -6.178 0.826 1.00 0.00 C ATOM 1575 C LYS A 100 -16.712 -7.123 -0.230 1.00 0.00 C ATOM 1576 O LYS A 100 -16.974 -6.714 -1.362 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.717 -4.767 0.631 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.229 -4.694 0.472 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.943 -4.862 1.795 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.452 -4.874 1.623 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.900 -5.932 0.678 1.00 0.00 N ATOM 0 H LYS A 100 -14.366 -5.392 0.084 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.426 -6.559 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.428 -4.155 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.254 -4.324 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.502 -3.735 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.559 -5.469 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.623 -5.792 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.660 -4.051 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.925 -5.030 2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.783 -3.901 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.877 -6.209 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.860 -5.568 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.277 -6.760 0.764 1.00 0.00 H new ATOM 1595 N ASP A 101 -16.845 -8.397 0.130 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.406 -9.413 -0.768 1.00 0.00 C ATOM 1597 C ASP A 101 -16.627 -9.499 -2.081 1.00 0.00 C ATOM 1598 O ASP A 101 -17.146 -9.970 -3.094 1.00 0.00 O ATOM 1599 CB ASP A 101 -18.882 -9.120 -1.061 1.00 0.00 C ATOM 1600 CG ASP A 101 -19.772 -9.302 0.149 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -19.914 -8.350 0.943 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.342 -10.400 0.314 1.00 0.00 O ATOM 0 H ASP A 101 -16.570 -8.756 1.044 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.324 -10.374 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -18.978 -8.097 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.226 -9.777 -1.860 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.374 -9.065 -2.053 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.562 -9.061 -3.253 1.00 0.00 C ATOM 1609 C GLY A 102 -14.235 -7.658 -3.737 1.00 0.00 C ATOM 1610 O GLY A 102 -13.441 -7.486 -4.657 1.00 0.00 O ATOM 0 H GLY A 102 -14.905 -8.715 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.634 -9.600 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.086 -9.600 -4.042 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.844 -6.657 -3.121 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.595 -5.264 -3.484 1.00 0.00 C ATOM 1616 C VAL A 103 -13.692 -4.593 -2.447 1.00 0.00 C ATOM 1617 O VAL A 103 -13.956 -4.663 -1.254 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.921 -4.479 -3.595 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.676 -3.046 -4.040 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.876 -5.176 -4.552 1.00 0.00 C ATOM 0 H VAL A 103 -15.517 -6.780 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.097 -5.256 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.377 -4.451 -2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.627 -2.519 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.035 -2.544 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.190 -3.046 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.804 -4.609 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.419 -5.240 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.090 -6.180 -4.186 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.626 -3.950 -2.901 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.680 -3.306 -1.995 1.00 0.00 C ATOM 1632 C VAL A 104 -12.268 -2.020 -1.428 1.00 0.00 C ATOM 1633 O VAL A 104 -12.646 -1.123 -2.182 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.347 -2.968 -2.699 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.337 -2.411 -1.704 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.785 -4.189 -3.410 1.00 0.00 C ATOM 0 H VAL A 104 -12.393 -3.859 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.485 -4.016 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.545 -2.202 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.406 -2.180 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.735 -1.503 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.146 -3.151 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.847 -3.926 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.607 -4.983 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.498 -4.535 -4.158 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.354 -1.935 -0.109 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.830 -0.724 0.545 1.00 0.00 C ATOM 1648 C GLN A 105 -11.740 -0.134 1.424 1.00 0.00 C ATOM 1649 O GLN A 105 -10.972 -0.869 2.052 1.00 0.00 O ATOM 1650 CB GLN A 105 -14.067 -0.996 1.398 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.228 -1.607 0.638 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.523 -1.538 1.422 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.524 -1.524 2.655 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.638 -1.526 0.713 1.00 0.00 N ATOM 0 H GLN A 105 -12.101 -2.689 0.530 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.097 -0.016 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.791 -1.663 2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.396 -0.060 1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.352 -1.088 -0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.001 -2.647 0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.595 -1.538 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.542 -1.504 1.185 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.679 1.188 1.471 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.667 1.881 2.257 1.00 0.00 C ATOM 1665 C LEU A 106 -11.299 2.916 3.181 1.00 0.00 C ATOM 1666 O LEU A 106 -12.242 3.611 2.798 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.670 2.584 1.334 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.921 1.683 0.351 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -8.011 2.513 -0.540 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -8.112 0.636 1.095 1.00 0.00 C ATOM 0 H LEU A 106 -12.320 1.805 0.973 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.152 1.135 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.205 3.344 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.937 3.104 1.951 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.655 1.174 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.485 1.858 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.608 3.231 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.286 3.046 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.587 0.005 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.388 1.129 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.780 0.021 1.698 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.781 3.009 4.397 1.00 0.00 N ATOM 1683 CA ARG A 107 -11.162 4.075 5.310 1.00 0.00 C ATOM 1684 C ARG A 107 -9.962 4.979 5.552 1.00 0.00 C ATOM 1685 O ARG A 107 -8.953 4.553 6.120 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.701 3.521 6.639 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.025 4.601 7.663 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.814 4.048 8.843 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.066 3.044 9.601 1.00 0.00 N ATOM 1690 CZ ARG A 107 -12.613 2.229 10.505 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -13.901 2.326 10.807 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -11.868 1.321 11.117 1.00 0.00 N ATOM 0 H ARG A 107 -10.094 2.357 4.774 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.968 4.650 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.600 2.938 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.965 2.838 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.099 5.049 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.598 5.395 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.090 4.868 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.742 3.606 8.480 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.064 2.962 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.481 3.028 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.311 1.699 11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.875 1.244 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -12.287 0.699 11.808 1.00 0.00 H new ATOM 1706 N GLY A 108 -10.064 6.213 5.088 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.970 7.147 5.227 1.00 0.00 C ATOM 1708 C GLY A 108 -9.386 8.413 5.933 1.00 0.00 C ATOM 1709 O GLY A 108 -10.579 8.682 6.087 1.00 0.00 O ATOM 0 H GLY A 108 -10.888 6.585 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.159 6.674 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.579 7.395 4.240 1.00 0.00 H new