USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 938 hydrogens (27 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 56 THR OG1 : rot 135:sc= -0.465 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.06 K(o=-1.5,f=-2.2) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -15:sc= -0.352 USER MOD Single : A 17 SER OG : rot 84:sc= 0.481 USER MOD Single : A 18 ASN : amide:sc= -0.194 K(o=-0.19,f=-3.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.7!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.07 K(o=-3.1,f=-4) USER MOD Single : A 45 SER OG : rot 88:sc= 0.022 USER MOD Single : A 46 THR OG1 : rot 20:sc= 1.2 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 120:sc= 0.274 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc=-0.00975 (180deg=-0.177) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 70:sc= 0.134 USER MOD Single : A 88 LYS NZ :NH3+ -122:sc= -0.803 (180deg=-3.76!) USER MOD Single : A 97 ASN : amide:sc=-0.00507 K(o=-0.0051,f=-0.58) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 65:sc= 0.147 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 0:sc= -1.33 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0831 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0167 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 3.710 12.684 -1.369 1.00 34.21 N ATOM 2 CA GLY A 2 3.693 13.150 -2.743 1.00 64.15 C ATOM 3 C GLY A 2 2.307 13.557 -3.201 1.00 52.14 C ATOM 4 O GLY A 2 1.536 14.130 -2.433 1.00 22.53 O ATOM 0 HA2 GLY A 2 4.369 13.999 -2.844 1.00 64.15 H new ATOM 0 HA3 GLY A 2 4.071 12.362 -3.395 1.00 64.15 H new ATOM 8 N ASN A 3 1.991 13.262 -4.459 1.00 3.12 N ATOM 9 CA ASN A 3 0.688 13.604 -5.019 1.00 45.40 C ATOM 10 C ASN A 3 -0.436 12.971 -4.205 1.00 32.30 C ATOM 11 O ASN A 3 -0.602 11.752 -4.200 1.00 34.32 O ATOM 12 CB ASN A 3 0.600 13.145 -6.476 1.00 44.43 C ATOM 13 CG ASN A 3 0.256 14.281 -7.420 1.00 61.11 C ATOM 14 OD1 ASN A 3 -0.759 14.956 -7.251 1.00 10.23 O ATOM 15 ND2 ASN A 3 1.102 14.496 -8.420 1.00 72.24 N ATOM 0 H ASN A 3 2.618 12.788 -5.108 1.00 3.12 H new ATOM 0 HA ASN A 3 0.575 14.687 -4.979 1.00 45.40 H new ATOM 0 HB2 ASN A 3 1.552 12.705 -6.773 1.00 44.43 H new ATOM 0 HB3 ASN A 3 -0.154 12.363 -6.563 1.00 44.43 H new ATOM 0 HD21 ASN A 3 0.923 15.246 -9.087 1.00 72.24 H new ATOM 0 HD22 ASN A 3 1.931 13.911 -8.521 1.00 72.24 H new ATOM 22 N GLY A 4 -1.208 13.809 -3.520 1.00 3.02 N ATOM 23 CA GLY A 4 -2.308 13.313 -2.713 1.00 64.30 C ATOM 24 C GLY A 4 -1.856 12.843 -1.344 1.00 31.54 C ATOM 25 O GLY A 4 -1.114 13.540 -0.655 1.00 42.12 O ATOM 0 H GLY A 4 -1.092 14.822 -3.509 1.00 3.02 H new ATOM 0 HA2 GLY A 4 -3.053 14.100 -2.596 1.00 64.30 H new ATOM 0 HA3 GLY A 4 -2.795 12.489 -3.235 1.00 64.30 H new ATOM 29 N GLN A 5 -2.308 11.655 -0.950 1.00 40.24 N ATOM 30 CA GLN A 5 -1.948 11.094 0.346 1.00 24.01 C ATOM 31 C GLN A 5 -2.368 12.025 1.479 1.00 34.13 C ATOM 32 O GLN A 5 -3.090 12.997 1.261 1.00 41.32 O ATOM 33 CB GLN A 5 -0.441 10.838 0.414 1.00 11.42 C ATOM 34 CG GLN A 5 0.119 10.167 -0.830 1.00 40.51 C ATOM 35 CD GLN A 5 -0.770 9.051 -1.341 1.00 13.22 C ATOM 36 OE1 GLN A 5 -1.257 8.225 -0.568 1.00 50.24 O ATOM 37 NE2 GLN A 5 -0.989 9.021 -2.651 1.00 3.14 N ATOM 0 H GLN A 5 -2.923 11.064 -1.510 1.00 40.24 H new ATOM 0 HA GLN A 5 -2.477 10.148 0.463 1.00 24.01 H new ATOM 0 HB2 GLN A 5 0.074 11.786 0.568 1.00 11.42 H new ATOM 0 HB3 GLN A 5 -0.226 10.214 1.281 1.00 11.42 H new ATOM 0 HG2 GLN A 5 0.246 10.913 -1.614 1.00 40.51 H new ATOM 0 HG3 GLN A 5 1.108 9.766 -0.608 1.00 40.51 H new ATOM 0 HE21 GLN A 5 -0.565 9.725 -3.255 1.00 3.14 H new ATOM 0 HE22 GLN A 5 -1.581 8.294 -3.053 1.00 3.14 H new ATOM 46 N GLY A 6 -1.912 11.720 2.690 1.00 11.13 N ATOM 47 CA GLY A 6 -2.253 12.539 3.839 1.00 21.24 C ATOM 48 C GLY A 6 -3.318 11.902 4.710 1.00 24.41 C ATOM 49 O GLY A 6 -3.043 10.952 5.443 1.00 73.30 O ATOM 0 H GLY A 6 -1.313 10.921 2.896 1.00 11.13 H new ATOM 0 HA2 GLY A 6 -1.357 12.714 4.435 1.00 21.24 H new ATOM 0 HA3 GLY A 6 -2.603 13.513 3.496 1.00 21.24 H new ATOM 53 N ARG A 7 -4.537 12.426 4.631 1.00 41.12 N ATOM 54 CA ARG A 7 -5.645 11.905 5.420 1.00 11.03 C ATOM 55 C ARG A 7 -5.845 10.414 5.159 1.00 13.34 C ATOM 56 O ARG A 7 -6.046 9.633 6.088 1.00 23.44 O ATOM 57 CB ARG A 7 -6.932 12.667 5.098 1.00 21.13 C ATOM 58 CG ARG A 7 -6.911 14.117 5.555 1.00 31.32 C ATOM 59 CD ARG A 7 -8.085 14.429 6.470 1.00 55.31 C ATOM 60 NE ARG A 7 -9.303 14.721 5.718 1.00 74.25 N ATOM 61 CZ ARG A 7 -10.341 15.376 6.224 1.00 31.13 C ATOM 62 NH1 ARG A 7 -10.310 15.806 7.479 1.00 71.23 N ATOM 63 NH2 ARG A 7 -11.414 15.603 5.477 1.00 22.41 N ATOM 0 H ARG A 7 -4.782 13.211 4.028 1.00 41.12 H new ATOM 0 HA ARG A 7 -5.404 12.043 6.474 1.00 11.03 H new ATOM 0 HB2 ARG A 7 -7.103 12.636 4.022 1.00 21.13 H new ATOM 0 HB3 ARG A 7 -7.773 12.158 5.569 1.00 21.13 H new ATOM 0 HG2 ARG A 7 -5.977 14.322 6.077 1.00 31.32 H new ATOM 0 HG3 ARG A 7 -6.941 14.774 4.686 1.00 31.32 H new ATOM 0 HD2 ARG A 7 -8.263 13.582 7.133 1.00 55.31 H new ATOM 0 HD3 ARG A 7 -7.836 15.282 7.102 1.00 55.31 H new ATOM 0 HE ARG A 7 -9.359 14.404 4.750 1.00 74.25 H new ATOM 0 HH11 ARG A 7 -9.487 15.634 8.057 1.00 71.23 H new ATOM 0 HH12 ARG A 7 -11.109 16.309 7.866 1.00 71.23 H new ATOM 0 HH21 ARG A 7 -11.442 15.274 4.512 1.00 22.41 H new ATOM 0 HH22 ARG A 7 -12.210 16.106 5.868 1.00 22.41 H new ATOM 77 N ASP A 8 -5.791 10.030 3.889 1.00 44.25 N ATOM 78 CA ASP A 8 -5.965 8.634 3.504 1.00 14.44 C ATOM 79 C ASP A 8 -4.871 7.762 4.112 1.00 43.33 C ATOM 80 O ASP A 8 -5.102 6.601 4.445 1.00 34.44 O ATOM 81 CB ASP A 8 -5.957 8.498 1.981 1.00 63.41 C ATOM 82 CG ASP A 8 -7.330 8.702 1.374 1.00 73.30 C ATOM 83 OD1 ASP A 8 -7.686 7.950 0.442 1.00 2.04 O ATOM 84 OD2 ASP A 8 -8.051 9.614 1.830 1.00 3.11 O ATOM 0 H ASP A 8 -5.628 10.666 3.108 1.00 44.25 H new ATOM 0 HA ASP A 8 -6.928 8.295 3.886 1.00 14.44 H new ATOM 0 HB2 ASP A 8 -5.264 9.226 1.558 1.00 63.41 H new ATOM 0 HB3 ASP A 8 -5.586 7.510 1.709 1.00 63.41 H new ATOM 89 N TRP A 9 -3.679 8.331 4.251 1.00 4.24 N ATOM 90 CA TRP A 9 -2.548 7.604 4.818 1.00 41.02 C ATOM 91 C TRP A 9 -2.769 7.321 6.300 1.00 15.04 C ATOM 92 O TRP A 9 -2.724 6.170 6.736 1.00 44.02 O ATOM 93 CB TRP A 9 -1.256 8.401 4.627 1.00 74.34 C ATOM 94 CG TRP A 9 -0.080 7.806 5.339 1.00 23.31 C ATOM 95 CD1 TRP A 9 0.518 8.279 6.472 1.00 63.23 C ATOM 96 CD2 TRP A 9 0.641 6.626 4.965 1.00 44.12 C ATOM 97 NE1 TRP A 9 1.569 7.466 6.825 1.00 34.11 N ATOM 98 CE2 TRP A 9 1.664 6.444 5.917 1.00 4.01 C ATOM 99 CE3 TRP A 9 0.522 5.705 3.921 1.00 54.25 C ATOM 100 CZ2 TRP A 9 2.560 5.380 5.853 1.00 54.45 C ATOM 101 CZ3 TRP A 9 1.412 4.651 3.857 1.00 3.21 C ATOM 102 CH2 TRP A 9 2.419 4.495 4.819 1.00 24.42 C ATOM 0 H TRP A 9 -3.470 9.292 3.980 1.00 4.24 H new ATOM 0 HA TRP A 9 -2.462 6.652 4.294 1.00 41.02 H new ATOM 0 HB2 TRP A 9 -1.032 8.466 3.562 1.00 74.34 H new ATOM 0 HB3 TRP A 9 -1.410 9.420 4.983 1.00 74.34 H new ATOM 0 HD1 TRP A 9 0.210 9.162 7.012 1.00 63.23 H new ATOM 0 HE1 TRP A 9 2.179 7.601 7.631 1.00 34.11 H new ATOM 0 HE3 TRP A 9 -0.253 5.816 3.177 1.00 54.25 H new ATOM 0 HZ2 TRP A 9 3.338 5.258 6.592 1.00 54.45 H new ATOM 0 HZ3 TRP A 9 1.331 3.935 3.052 1.00 3.21 H new ATOM 0 HH2 TRP A 9 3.098 3.659 4.743 1.00 24.42 H new ATOM 113 N LYS A 10 -3.011 8.376 7.071 1.00 74.43 N ATOM 114 CA LYS A 10 -3.242 8.241 8.503 1.00 20.12 C ATOM 115 C LYS A 10 -4.533 7.476 8.777 1.00 32.13 C ATOM 116 O LYS A 10 -4.648 6.772 9.780 1.00 41.34 O ATOM 117 CB LYS A 10 -3.305 9.621 9.163 1.00 2.04 C ATOM 118 CG LYS A 10 -2.539 9.704 10.472 1.00 73.01 C ATOM 119 CD LYS A 10 -1.041 9.800 10.237 1.00 54.24 C ATOM 120 CE LYS A 10 -0.264 9.675 11.537 1.00 4.02 C ATOM 121 NZ LYS A 10 0.664 8.510 11.519 1.00 13.13 N ATOM 0 H LYS A 10 -3.052 9.335 6.727 1.00 74.43 H new ATOM 0 HA LYS A 10 -2.410 7.679 8.928 1.00 20.12 H new ATOM 0 HB2 LYS A 10 -2.908 10.364 8.471 1.00 2.04 H new ATOM 0 HB3 LYS A 10 -4.348 9.880 9.345 1.00 2.04 H new ATOM 0 HG2 LYS A 10 -2.876 10.573 11.037 1.00 73.01 H new ATOM 0 HG3 LYS A 10 -2.757 8.825 11.079 1.00 73.01 H new ATOM 0 HD2 LYS A 10 -0.729 9.015 9.548 1.00 54.24 H new ATOM 0 HD3 LYS A 10 -0.807 10.753 9.762 1.00 54.24 H new ATOM 0 HE2 LYS A 10 0.304 10.589 11.710 1.00 4.02 H new ATOM 0 HE3 LYS A 10 -0.961 9.571 12.368 1.00 4.02 H new ATOM 0 HZ1 LYS A 10 1.175 8.459 12.423 1.00 13.13 H new ATOM 0 HZ2 LYS A 10 0.120 7.635 11.379 1.00 13.13 H new ATOM 0 HZ3 LYS A 10 1.346 8.621 10.742 1.00 13.13 H new ATOM 135 N MET A 11 -5.501 7.617 7.878 1.00 75.54 N ATOM 136 CA MET A 11 -6.783 6.936 8.021 1.00 61.12 C ATOM 137 C MET A 11 -6.647 5.450 7.705 1.00 22.45 C ATOM 138 O MET A 11 -7.164 4.602 8.431 1.00 32.55 O ATOM 139 CB MET A 11 -7.828 7.572 7.102 1.00 25.22 C ATOM 140 CG MET A 11 -8.384 8.884 7.630 1.00 13.22 C ATOM 141 SD MET A 11 -10.063 8.720 8.267 1.00 22.22 S ATOM 142 CE MET A 11 -11.018 8.975 6.774 1.00 41.34 C ATOM 0 H MET A 11 -5.422 8.197 7.042 1.00 75.54 H new ATOM 0 HA MET A 11 -7.109 7.041 9.056 1.00 61.12 H new ATOM 0 HB2 MET A 11 -7.382 7.744 6.123 1.00 25.22 H new ATOM 0 HB3 MET A 11 -8.650 6.870 6.959 1.00 25.22 H new ATOM 0 HG2 MET A 11 -7.734 9.257 8.421 1.00 13.22 H new ATOM 0 HG3 MET A 11 -8.373 9.626 6.832 1.00 13.22 H new ATOM 0 HE1 MET A 11 -12.081 8.903 7.005 1.00 41.34 H new ATOM 0 HE2 MET A 11 -10.801 9.963 6.367 1.00 41.34 H new ATOM 0 HE3 MET A 11 -10.755 8.214 6.039 1.00 41.34 H new ATOM 152 N ALA A 12 -5.949 5.142 6.618 1.00 73.35 N ATOM 153 CA ALA A 12 -5.744 3.758 6.207 1.00 21.10 C ATOM 154 C ALA A 12 -5.070 2.952 7.312 1.00 75.03 C ATOM 155 O ALA A 12 -5.499 1.843 7.633 1.00 1.10 O ATOM 156 CB ALA A 12 -4.918 3.703 4.931 1.00 64.34 C ATOM 0 H ALA A 12 -5.515 5.832 6.005 1.00 73.35 H new ATOM 0 HA ALA A 12 -6.720 3.314 6.013 1.00 21.10 H new ATOM 0 HB1 ALA A 12 -4.773 2.664 4.636 1.00 64.34 H new ATOM 0 HB2 ALA A 12 -5.440 4.236 4.136 1.00 64.34 H new ATOM 0 HB3 ALA A 12 -3.948 4.170 5.105 1.00 64.34 H new ATOM 162 N ILE A 13 -4.014 3.515 7.889 1.00 74.05 N ATOM 163 CA ILE A 13 -3.281 2.847 8.957 1.00 11.41 C ATOM 164 C ILE A 13 -4.155 2.669 10.194 1.00 20.10 C ATOM 165 O ILE A 13 -4.329 1.556 10.690 1.00 34.23 O ATOM 166 CB ILE A 13 -2.015 3.631 9.347 1.00 52.54 C ATOM 167 CG1 ILE A 13 -1.069 3.744 8.149 1.00 53.12 C ATOM 168 CG2 ILE A 13 -1.316 2.961 10.519 1.00 24.02 C ATOM 169 CD1 ILE A 13 -0.495 2.416 7.706 1.00 31.12 C ATOM 0 H ILE A 13 -3.647 4.432 7.635 1.00 74.05 H new ATOM 0 HA ILE A 13 -2.989 1.868 8.576 1.00 11.41 H new ATOM 0 HB ILE A 13 -2.308 4.636 9.651 1.00 52.54 H new ATOM 0 HG12 ILE A 13 -1.605 4.196 7.314 1.00 53.12 H new ATOM 0 HG13 ILE A 13 -0.251 4.417 8.404 1.00 53.12 H new ATOM 0 HG21 ILE A 13 -0.423 3.528 10.782 1.00 24.02 H new ATOM 0 HG22 ILE A 13 -1.990 2.929 11.375 1.00 24.02 H new ATOM 0 HG23 ILE A 13 -1.033 1.946 10.242 1.00 24.02 H new ATOM 0 HD11 ILE A 13 0.166 2.572 6.853 1.00 31.12 H new ATOM 0 HD12 ILE A 13 0.069 1.972 8.526 1.00 31.12 H new ATOM 0 HD13 ILE A 13 -1.306 1.747 7.419 1.00 31.12 H new ATOM 181 N LYS A 14 -4.705 3.774 10.688 1.00 71.11 N ATOM 182 CA LYS A 14 -5.564 3.741 11.866 1.00 74.21 C ATOM 183 C LYS A 14 -6.774 2.842 11.631 1.00 12.33 C ATOM 184 O LYS A 14 -7.375 2.334 12.578 1.00 43.25 O ATOM 185 CB LYS A 14 -6.027 5.155 12.224 1.00 32.33 C ATOM 186 CG LYS A 14 -6.195 5.379 13.717 1.00 15.12 C ATOM 187 CD LYS A 14 -4.864 5.304 14.445 1.00 31.41 C ATOM 188 CE LYS A 14 -4.941 5.961 15.814 1.00 65.42 C ATOM 189 NZ LYS A 14 -3.599 6.068 16.453 1.00 21.35 N ATOM 0 H LYS A 14 -4.571 4.704 10.290 1.00 71.11 H new ATOM 0 HA LYS A 14 -4.986 3.334 12.696 1.00 74.21 H new ATOM 0 HB2 LYS A 14 -5.305 5.874 11.836 1.00 32.33 H new ATOM 0 HB3 LYS A 14 -6.976 5.355 11.726 1.00 32.33 H new ATOM 0 HG2 LYS A 14 -6.651 6.354 13.891 1.00 15.12 H new ATOM 0 HG3 LYS A 14 -6.876 4.631 14.124 1.00 15.12 H new ATOM 0 HD2 LYS A 14 -4.567 4.261 14.557 1.00 31.41 H new ATOM 0 HD3 LYS A 14 -4.094 5.792 13.848 1.00 31.41 H new ATOM 0 HE2 LYS A 14 -5.377 6.955 15.716 1.00 65.42 H new ATOM 0 HE3 LYS A 14 -5.605 5.384 16.457 1.00 65.42 H new ATOM 0 HZ1 LYS A 14 -3.693 6.521 17.384 1.00 21.35 H new ATOM 0 HZ2 LYS A 14 -3.193 5.118 16.570 1.00 21.35 H new ATOM 0 HZ3 LYS A 14 -2.973 6.640 15.851 1.00 21.35 H new ATOM 203 N ARG A 15 -7.125 2.648 10.364 1.00 2.03 N ATOM 204 CA ARG A 15 -8.263 1.810 10.005 1.00 3.21 C ATOM 205 C ARG A 15 -7.866 0.337 9.977 1.00 25.33 C ATOM 206 O ARG A 15 -8.382 -0.471 10.750 1.00 54.52 O ATOM 207 CB ARG A 15 -8.821 2.226 8.643 1.00 61.41 C ATOM 208 CG ARG A 15 -9.787 3.396 8.712 1.00 1.50 C ATOM 209 CD ARG A 15 -11.183 2.994 8.265 1.00 72.42 C ATOM 210 NE ARG A 15 -12.221 3.728 8.983 1.00 51.31 N ATOM 211 CZ ARG A 15 -12.642 3.405 10.200 1.00 32.13 C ATOM 212 NH1 ARG A 15 -12.116 2.366 10.832 1.00 21.44 N ATOM 213 NH2 ARG A 15 -13.591 4.122 10.788 1.00 43.50 N ATOM 0 H ARG A 15 -6.637 3.060 9.568 1.00 2.03 H new ATOM 0 HA ARG A 15 -9.035 1.946 10.762 1.00 3.21 H new ATOM 0 HB2 ARG A 15 -7.992 2.488 7.985 1.00 61.41 H new ATOM 0 HB3 ARG A 15 -9.328 1.373 8.192 1.00 61.41 H new ATOM 0 HG2 ARG A 15 -9.826 3.777 9.733 1.00 1.50 H new ATOM 0 HG3 ARG A 15 -9.422 4.208 8.083 1.00 1.50 H new ATOM 0 HD2 ARG A 15 -11.287 3.174 7.195 1.00 72.42 H new ATOM 0 HD3 ARG A 15 -11.320 1.924 8.423 1.00 72.42 H new ATOM 0 HE ARG A 15 -12.646 4.534 8.524 1.00 51.31 H new ATOM 0 HH11 ARG A 15 -11.386 1.812 10.384 1.00 21.44 H new ATOM 0 HH12 ARG A 15 -12.441 2.120 11.767 1.00 21.44 H new ATOM 0 HH21 ARG A 15 -13.998 4.923 10.305 1.00 43.50 H new ATOM 0 HH22 ARG A 15 -13.913 3.872 11.723 1.00 43.50 H new ATOM 227 N CYS A 16 -6.946 -0.005 9.082 1.00 14.21 N ATOM 228 CA CYS A 16 -6.481 -1.382 8.951 1.00 51.24 C ATOM 229 C CYS A 16 -5.844 -1.866 10.250 1.00 11.45 C ATOM 230 O CYS A 16 -5.715 -3.068 10.479 1.00 3.11 O ATOM 231 CB CYS A 16 -5.476 -1.494 7.804 1.00 23.53 C ATOM 232 SG CYS A 16 -3.870 -0.740 8.151 1.00 1.34 S ATOM 0 H CYS A 16 -6.507 0.652 8.436 1.00 14.21 H new ATOM 0 HA CYS A 16 -7.343 -2.013 8.733 1.00 51.24 H new ATOM 0 HB2 CYS A 16 -5.327 -2.548 7.568 1.00 23.53 H new ATOM 0 HB3 CYS A 16 -5.901 -1.025 6.916 1.00 23.53 H new ATOM 0 HG CYS A 16 -3.972 0.041 9.186 1.00 1.34 H new ATOM 238 N SER A 17 -5.448 -0.921 11.097 1.00 53.03 N ATOM 239 CA SER A 17 -4.820 -1.250 12.371 1.00 21.22 C ATOM 240 C SER A 17 -5.727 -2.149 13.207 1.00 15.00 C ATOM 241 O SER A 17 -5.260 -2.884 14.076 1.00 42.22 O ATOM 242 CB SER A 17 -4.492 0.026 13.148 1.00 72.45 C ATOM 243 OG SER A 17 -3.141 0.407 12.955 1.00 73.25 O ATOM 0 H SER A 17 -5.551 0.079 10.924 1.00 53.03 H new ATOM 0 HA SER A 17 -3.895 -1.788 12.163 1.00 21.22 H new ATOM 0 HB2 SER A 17 -5.150 0.832 12.824 1.00 72.45 H new ATOM 0 HB3 SER A 17 -4.680 -0.132 14.210 1.00 72.45 H new ATOM 0 HG SER A 17 -3.062 0.925 12.127 1.00 73.25 H new ATOM 249 N ASN A 18 -7.027 -2.084 12.935 1.00 5.33 N ATOM 250 CA ASN A 18 -8.000 -2.891 13.663 1.00 55.42 C ATOM 251 C ASN A 18 -8.379 -4.135 12.865 1.00 31.14 C ATOM 252 O ASN A 18 -9.496 -4.642 12.978 1.00 43.22 O ATOM 253 CB ASN A 18 -9.252 -2.066 13.966 1.00 43.41 C ATOM 254 CG ASN A 18 -8.945 -0.832 14.795 1.00 61.34 C ATOM 255 OD1 ASN A 18 -7.789 -0.562 15.120 1.00 10.40 O ATOM 256 ND2 ASN A 18 -9.982 -0.078 15.140 1.00 34.31 N ATOM 0 H ASN A 18 -7.430 -1.482 12.217 1.00 5.33 H new ATOM 0 HA ASN A 18 -7.545 -3.207 14.602 1.00 55.42 H new ATOM 0 HB2 ASN A 18 -9.720 -1.764 13.029 1.00 43.41 H new ATOM 0 HB3 ASN A 18 -9.973 -2.687 14.497 1.00 43.41 H new ATOM 0 HD21 ASN A 18 -9.837 0.764 15.697 1.00 34.31 H new ATOM 0 HD22 ASN A 18 -10.923 -0.341 14.848 1.00 34.31 H new ATOM 263 N VAL A 19 -7.441 -4.623 12.060 1.00 62.10 N ATOM 264 CA VAL A 19 -7.675 -5.809 11.245 1.00 30.30 C ATOM 265 C VAL A 19 -6.871 -6.997 11.761 1.00 32.53 C ATOM 266 O VAL A 19 -5.659 -6.905 11.950 1.00 5.44 O ATOM 267 CB VAL A 19 -7.310 -5.558 9.769 1.00 4.24 C ATOM 268 CG1 VAL A 19 -7.493 -6.826 8.951 1.00 20.52 C ATOM 269 CG2 VAL A 19 -8.144 -4.420 9.201 1.00 21.43 C ATOM 0 H VAL A 19 -6.512 -4.215 11.955 1.00 62.10 H new ATOM 0 HA VAL A 19 -8.739 -6.036 11.314 1.00 30.30 H new ATOM 0 HB VAL A 19 -6.260 -5.270 9.715 1.00 4.24 H new ATOM 0 HG11 VAL A 19 -7.231 -6.629 7.911 1.00 20.52 H new ATOM 0 HG12 VAL A 19 -6.847 -7.610 9.346 1.00 20.52 H new ATOM 0 HG13 VAL A 19 -8.533 -7.149 9.008 1.00 20.52 H new ATOM 0 HG21 VAL A 19 -7.873 -4.256 8.158 1.00 21.43 H new ATOM 0 HG22 VAL A 19 -9.201 -4.676 9.266 1.00 21.43 H new ATOM 0 HG23 VAL A 19 -7.956 -3.511 9.772 1.00 21.43 H new ATOM 279 N ALA A 20 -7.555 -8.115 11.986 1.00 72.20 N ATOM 280 CA ALA A 20 -6.905 -9.323 12.478 1.00 73.22 C ATOM 281 C ALA A 20 -6.241 -10.091 11.339 1.00 25.24 C ATOM 282 O ALA A 20 -6.904 -10.510 10.389 1.00 3.22 O ATOM 283 CB ALA A 20 -7.911 -10.208 13.198 1.00 31.12 C ATOM 0 H ALA A 20 -8.559 -8.208 11.835 1.00 72.20 H new ATOM 0 HA ALA A 20 -6.129 -9.027 13.183 1.00 73.22 H new ATOM 0 HB1 ALA A 20 -7.411 -11.107 13.560 1.00 31.12 H new ATOM 0 HB2 ALA A 20 -8.336 -9.664 14.042 1.00 31.12 H new ATOM 0 HB3 ALA A 20 -8.708 -10.488 12.509 1.00 31.12 H new ATOM 289 N VAL A 21 -4.929 -10.273 11.440 1.00 5.10 N ATOM 290 CA VAL A 21 -4.174 -10.991 10.419 1.00 10.33 C ATOM 291 C VAL A 21 -4.734 -12.393 10.208 1.00 11.23 C ATOM 292 O VAL A 21 -4.586 -12.977 9.135 1.00 51.23 O ATOM 293 CB VAL A 21 -2.684 -11.096 10.792 1.00 41.51 C ATOM 294 CG1 VAL A 21 -1.882 -11.660 9.630 1.00 50.04 C ATOM 295 CG2 VAL A 21 -2.143 -9.738 11.214 1.00 14.52 C ATOM 0 H VAL A 21 -4.365 -9.933 12.219 1.00 5.10 H new ATOM 0 HA VAL A 21 -4.269 -10.421 9.495 1.00 10.33 H new ATOM 0 HB VAL A 21 -2.586 -11.779 11.636 1.00 41.51 H new ATOM 0 HG11 VAL A 21 -0.831 -11.727 9.912 1.00 50.04 H new ATOM 0 HG12 VAL A 21 -2.254 -12.653 9.379 1.00 50.04 H new ATOM 0 HG13 VAL A 21 -1.985 -11.005 8.765 1.00 50.04 H new ATOM 0 HG21 VAL A 21 -1.089 -9.831 11.474 1.00 14.52 H new ATOM 0 HG22 VAL A 21 -2.253 -9.031 10.392 1.00 14.52 H new ATOM 0 HG23 VAL A 21 -2.700 -9.377 12.079 1.00 14.52 H new ATOM 305 N GLY A 22 -5.379 -12.930 11.240 1.00 51.45 N ATOM 306 CA GLY A 22 -5.952 -14.259 11.147 1.00 32.41 C ATOM 307 C GLY A 22 -7.468 -14.241 11.174 1.00 75.34 C ATOM 308 O GLY A 22 -8.073 -13.530 11.975 1.00 2.21 O ATOM 0 H GLY A 22 -5.514 -12.467 12.139 1.00 51.45 H new ATOM 0 HA2 GLY A 22 -5.614 -14.733 10.226 1.00 32.41 H new ATOM 0 HA3 GLY A 22 -5.584 -14.868 11.973 1.00 32.41 H new ATOM 312 N VAL A 23 -8.082 -15.023 10.292 1.00 34.34 N ATOM 313 CA VAL A 23 -9.537 -15.094 10.217 1.00 30.15 C ATOM 314 C VAL A 23 -10.102 -15.980 11.322 1.00 73.03 C ATOM 315 O VAL A 23 -9.586 -17.065 11.586 1.00 74.22 O ATOM 316 CB VAL A 23 -10.003 -15.634 8.852 1.00 61.12 C ATOM 317 CG1 VAL A 23 -9.390 -16.999 8.581 1.00 35.41 C ATOM 318 CG2 VAL A 23 -11.522 -15.700 8.796 1.00 42.14 C ATOM 0 H VAL A 23 -7.595 -15.616 9.620 1.00 34.34 H new ATOM 0 HA VAL A 23 -9.910 -14.078 10.344 1.00 30.15 H new ATOM 0 HB VAL A 23 -9.664 -14.950 8.074 1.00 61.12 H new ATOM 0 HG11 VAL A 23 -9.730 -17.365 7.612 1.00 35.41 H new ATOM 0 HG12 VAL A 23 -8.303 -16.915 8.576 1.00 35.41 H new ATOM 0 HG13 VAL A 23 -9.696 -17.697 9.360 1.00 35.41 H new ATOM 0 HG21 VAL A 23 -11.834 -16.084 7.825 1.00 42.14 H new ATOM 0 HG22 VAL A 23 -11.887 -16.362 9.582 1.00 42.14 H new ATOM 0 HG23 VAL A 23 -11.935 -14.702 8.942 1.00 42.14 H new ATOM 328 N GLY A 24 -11.167 -15.510 11.963 1.00 0.41 N ATOM 329 CA GLY A 24 -11.786 -16.273 13.032 1.00 23.12 C ATOM 330 C GLY A 24 -10.886 -16.406 14.245 1.00 3.22 C ATOM 331 O GLY A 24 -9.847 -17.061 14.187 1.00 51.05 O ATOM 0 H GLY A 24 -11.613 -14.615 11.762 1.00 0.41 H new ATOM 0 HA2 GLY A 24 -12.718 -15.791 13.326 1.00 23.12 H new ATOM 0 HA3 GLY A 24 -12.043 -17.266 12.664 1.00 23.12 H new ATOM 335 N GLY A 25 -11.287 -15.781 15.349 1.00 21.20 N ATOM 336 CA GLY A 25 -10.496 -15.845 16.564 1.00 0.42 C ATOM 337 C GLY A 25 -9.093 -15.307 16.372 1.00 24.11 C ATOM 338 O GLY A 25 -8.862 -14.438 15.530 1.00 71.40 O ATOM 0 H GLY A 25 -12.144 -15.233 15.423 1.00 21.20 H new ATOM 0 HA2 GLY A 25 -10.995 -15.277 17.349 1.00 0.42 H new ATOM 0 HA3 GLY A 25 -10.442 -16.879 16.904 1.00 0.42 H new ATOM 342 N LYS A 26 -8.151 -15.822 17.155 1.00 2.22 N ATOM 343 CA LYS A 26 -6.762 -15.388 17.068 1.00 25.24 C ATOM 344 C LYS A 26 -6.652 -13.876 17.234 1.00 24.24 C ATOM 345 O LYS A 26 -6.497 -13.145 16.256 1.00 21.12 O ATOM 346 CB LYS A 26 -6.157 -15.811 15.728 1.00 51.32 C ATOM 347 CG LYS A 26 -4.664 -15.554 15.627 1.00 72.44 C ATOM 348 CD LYS A 26 -4.087 -16.114 14.337 1.00 34.41 C ATOM 349 CE LYS A 26 -3.538 -17.519 14.535 1.00 15.55 C ATOM 350 NZ LYS A 26 -2.120 -17.500 14.989 1.00 61.14 N ATOM 0 H LYS A 26 -8.325 -16.541 17.857 1.00 2.22 H new ATOM 0 HA LYS A 26 -6.208 -15.865 17.876 1.00 25.24 H new ATOM 0 HB2 LYS A 26 -6.346 -16.873 15.573 1.00 51.32 H new ATOM 0 HB3 LYS A 26 -6.664 -15.277 14.925 1.00 51.32 H new ATOM 0 HG2 LYS A 26 -4.474 -14.482 15.676 1.00 72.44 H new ATOM 0 HG3 LYS A 26 -4.158 -16.006 16.480 1.00 72.44 H new ATOM 0 HD2 LYS A 26 -4.860 -16.129 13.568 1.00 34.41 H new ATOM 0 HD3 LYS A 26 -3.293 -15.459 13.978 1.00 34.41 H new ATOM 0 HE2 LYS A 26 -4.147 -18.047 15.268 1.00 15.55 H new ATOM 0 HE3 LYS A 26 -3.613 -18.074 13.600 1.00 15.55 H new ATOM 0 HZ1 LYS A 26 -1.782 -18.476 15.113 1.00 61.14 H new ATOM 0 HZ2 LYS A 26 -1.534 -17.018 14.278 1.00 61.14 H new ATOM 0 HZ3 LYS A 26 -2.052 -16.993 15.894 1.00 61.14 H new ATOM 364 N SER A 27 -6.731 -13.415 18.478 1.00 41.32 N ATOM 365 CA SER A 27 -6.643 -11.989 18.772 1.00 54.33 C ATOM 366 C SER A 27 -5.257 -11.449 18.430 1.00 13.04 C ATOM 367 O SER A 27 -4.342 -11.491 19.252 1.00 75.14 O ATOM 368 CB SER A 27 -6.955 -11.730 20.247 1.00 70.33 C ATOM 369 OG SER A 27 -7.339 -10.382 20.457 1.00 5.22 O ATOM 0 H SER A 27 -6.856 -14.008 19.299 1.00 41.32 H new ATOM 0 HA SER A 27 -7.378 -11.470 18.157 1.00 54.33 H new ATOM 0 HB2 SER A 27 -7.754 -12.395 20.575 1.00 70.33 H new ATOM 0 HB3 SER A 27 -6.079 -11.961 20.853 1.00 70.33 H new ATOM 0 HG SER A 27 -7.535 -10.242 21.407 1.00 5.22 H new ATOM 375 N LYS A 28 -5.111 -10.941 17.211 1.00 32.13 N ATOM 376 CA LYS A 28 -3.839 -10.391 16.758 1.00 72.21 C ATOM 377 C LYS A 28 -4.019 -9.594 15.471 1.00 40.13 C ATOM 378 O LYS A 28 -4.181 -10.164 14.392 1.00 73.51 O ATOM 379 CB LYS A 28 -2.824 -11.515 16.537 1.00 1.42 C ATOM 380 CG LYS A 28 -1.394 -11.113 16.855 1.00 1.01 C ATOM 381 CD LYS A 28 -0.724 -10.446 15.665 1.00 23.23 C ATOM 382 CE LYS A 28 0.599 -9.806 16.057 1.00 14.13 C ATOM 383 NZ LYS A 28 1.748 -10.728 15.839 1.00 34.13 N ATOM 0 H LYS A 28 -5.859 -10.899 16.518 1.00 32.13 H new ATOM 0 HA LYS A 28 -3.466 -9.719 17.531 1.00 72.21 H new ATOM 0 HB2 LYS A 28 -3.099 -12.369 17.156 1.00 1.42 H new ATOM 0 HB3 LYS A 28 -2.878 -11.844 15.499 1.00 1.42 H new ATOM 0 HG2 LYS A 28 -1.387 -10.432 17.706 1.00 1.01 H new ATOM 0 HG3 LYS A 28 -0.824 -11.995 17.148 1.00 1.01 H new ATOM 0 HD2 LYS A 28 -0.554 -11.184 14.881 1.00 23.23 H new ATOM 0 HD3 LYS A 28 -1.388 -9.687 15.250 1.00 23.23 H new ATOM 0 HE2 LYS A 28 0.748 -8.896 15.476 1.00 14.13 H new ATOM 0 HE3 LYS A 28 0.563 -9.512 17.106 1.00 14.13 H new ATOM 0 HZ1 LYS A 28 2.631 -10.254 16.118 1.00 34.13 H new ATOM 0 HZ2 LYS A 28 1.619 -11.586 16.413 1.00 34.13 H new ATOM 0 HZ3 LYS A 28 1.798 -10.989 14.833 1.00 34.13 H new ATOM 397 N LYS A 29 -3.987 -8.271 15.590 1.00 24.02 N ATOM 398 CA LYS A 29 -4.143 -7.393 14.435 1.00 23.03 C ATOM 399 C LYS A 29 -2.807 -6.770 14.041 1.00 34.24 C ATOM 400 O LYS A 29 -1.889 -6.681 14.855 1.00 3.01 O ATOM 401 CB LYS A 29 -5.162 -6.292 14.740 1.00 24.34 C ATOM 402 CG LYS A 29 -4.880 -5.544 16.032 1.00 74.13 C ATOM 403 CD LYS A 29 -5.947 -5.820 17.079 1.00 51.12 C ATOM 404 CE LYS A 29 -5.388 -5.695 18.488 1.00 14.44 C ATOM 405 NZ LYS A 29 -6.049 -6.638 19.432 1.00 4.12 N ATOM 0 H LYS A 29 -3.854 -7.782 16.475 1.00 24.02 H new ATOM 0 HA LYS A 29 -4.504 -7.993 13.600 1.00 23.03 H new ATOM 0 HB2 LYS A 29 -5.175 -5.581 13.914 1.00 24.34 H new ATOM 0 HB3 LYS A 29 -6.157 -6.734 14.796 1.00 24.34 H new ATOM 0 HG2 LYS A 29 -3.904 -5.838 16.419 1.00 74.13 H new ATOM 0 HG3 LYS A 29 -4.834 -4.474 15.831 1.00 74.13 H new ATOM 0 HD2 LYS A 29 -6.774 -5.121 16.951 1.00 51.12 H new ATOM 0 HD3 LYS A 29 -6.351 -6.822 16.934 1.00 51.12 H new ATOM 0 HE2 LYS A 29 -4.316 -5.889 18.472 1.00 14.44 H new ATOM 0 HE3 LYS A 29 -5.522 -4.673 18.842 1.00 14.44 H new ATOM 0 HZ1 LYS A 29 -5.640 -6.522 20.381 1.00 4.12 H new ATOM 0 HZ2 LYS A 29 -7.069 -6.436 19.467 1.00 4.12 H new ATOM 0 HZ3 LYS A 29 -5.900 -7.615 19.108 1.00 4.12 H new ATOM 419 N PHE A 30 -2.709 -6.341 12.787 1.00 42.23 N ATOM 420 CA PHE A 30 -1.485 -5.726 12.285 1.00 11.41 C ATOM 421 C PHE A 30 -1.610 -4.205 12.264 1.00 3.55 C ATOM 422 O PHE A 30 -2.623 -3.661 11.826 1.00 44.54 O ATOM 423 CB PHE A 30 -1.170 -6.241 10.879 1.00 25.04 C ATOM 424 CG PHE A 30 -2.074 -5.682 9.819 1.00 62.51 C ATOM 425 CD1 PHE A 30 -3.232 -6.350 9.455 1.00 1.05 C ATOM 426 CD2 PHE A 30 -1.765 -4.490 9.184 1.00 11.00 C ATOM 427 CE1 PHE A 30 -4.066 -5.839 8.479 1.00 13.13 C ATOM 428 CE2 PHE A 30 -2.595 -3.974 8.208 1.00 33.13 C ATOM 429 CZ PHE A 30 -3.748 -4.649 7.855 1.00 71.24 C ATOM 0 H PHE A 30 -3.461 -6.408 12.101 1.00 42.23 H new ATOM 0 HA PHE A 30 -0.670 -5.998 12.956 1.00 11.41 H new ATOM 0 HB2 PHE A 30 -0.138 -5.993 10.633 1.00 25.04 H new ATOM 0 HB3 PHE A 30 -1.246 -7.328 10.874 1.00 25.04 H new ATOM 0 HD1 PHE A 30 -3.486 -7.281 9.940 1.00 1.05 H new ATOM 0 HD2 PHE A 30 -0.865 -3.958 9.455 1.00 11.00 H new ATOM 0 HE1 PHE A 30 -4.966 -6.370 8.205 1.00 13.13 H new ATOM 0 HE2 PHE A 30 -2.343 -3.044 7.721 1.00 33.13 H new ATOM 0 HZ PHE A 30 -4.399 -4.247 7.093 1.00 71.24 H new ATOM 439 N GLY A 31 -0.573 -3.525 12.743 1.00 10.24 N ATOM 440 CA GLY A 31 -0.586 -2.074 12.771 1.00 23.02 C ATOM 441 C GLY A 31 0.413 -1.466 11.807 1.00 4.04 C ATOM 442 O GLY A 31 0.946 -2.157 10.939 1.00 52.03 O ATOM 0 H GLY A 31 0.276 -3.953 13.112 1.00 10.24 H new ATOM 0 HA2 GLY A 31 -1.586 -1.718 12.525 1.00 23.02 H new ATOM 0 HA3 GLY A 31 -0.365 -1.731 13.782 1.00 23.02 H new ATOM 446 N GLU A 32 0.667 -0.170 11.959 1.00 4.31 N ATOM 447 CA GLU A 32 1.607 0.530 11.092 1.00 4.30 C ATOM 448 C GLU A 32 2.944 -0.203 11.034 1.00 42.23 C ATOM 449 O GLU A 32 3.630 -0.186 10.013 1.00 32.32 O ATOM 450 CB GLU A 32 1.820 1.963 11.586 1.00 20.02 C ATOM 451 CG GLU A 32 2.699 2.056 12.821 1.00 43.55 C ATOM 452 CD GLU A 32 2.698 3.443 13.434 1.00 45.41 C ATOM 453 OE1 GLU A 32 2.751 3.541 14.679 1.00 40.13 O ATOM 454 OE2 GLU A 32 2.644 4.431 12.672 1.00 31.40 O ATOM 0 H GLU A 32 0.235 0.416 12.674 1.00 4.31 H new ATOM 0 HA GLU A 32 1.184 0.558 10.088 1.00 4.30 H new ATOM 0 HB2 GLU A 32 2.269 2.551 10.786 1.00 20.02 H new ATOM 0 HB3 GLU A 32 0.851 2.411 11.806 1.00 20.02 H new ATOM 0 HG2 GLU A 32 2.355 1.335 13.562 1.00 43.55 H new ATOM 0 HG3 GLU A 32 3.720 1.780 12.557 1.00 43.55 H new ATOM 461 N GLY A 33 3.307 -0.846 12.140 1.00 61.34 N ATOM 462 CA GLY A 33 4.561 -1.576 12.195 1.00 32.23 C ATOM 463 C GLY A 33 4.575 -2.775 11.268 1.00 73.21 C ATOM 464 O GLY A 33 5.429 -2.879 10.389 1.00 44.01 O ATOM 0 H GLY A 33 2.756 -0.875 12.998 1.00 61.34 H new ATOM 0 HA2 GLY A 33 5.379 -0.907 11.930 1.00 32.23 H new ATOM 0 HA3 GLY A 33 4.739 -1.909 13.217 1.00 32.23 H new ATOM 468 N ASN A 34 3.625 -3.684 11.463 1.00 11.12 N ATOM 469 CA ASN A 34 3.533 -4.884 10.639 1.00 13.32 C ATOM 470 C ASN A 34 3.336 -4.520 9.170 1.00 40.31 C ATOM 471 O ASN A 34 3.782 -5.239 8.276 1.00 63.31 O ATOM 472 CB ASN A 34 2.379 -5.769 11.116 1.00 13.10 C ATOM 473 CG ASN A 34 2.741 -6.576 12.348 1.00 52.41 C ATOM 474 OD1 ASN A 34 3.883 -6.551 12.806 1.00 63.13 O ATOM 475 ND2 ASN A 34 1.766 -7.296 12.890 1.00 62.21 N ATOM 0 H ASN A 34 2.908 -3.612 12.185 1.00 11.12 H new ATOM 0 HA ASN A 34 4.468 -5.435 10.737 1.00 13.32 H new ATOM 0 HB2 ASN A 34 1.513 -5.145 11.335 1.00 13.10 H new ATOM 0 HB3 ASN A 34 2.089 -6.447 10.313 1.00 13.10 H new ATOM 0 HD21 ASN A 34 1.949 -7.859 13.721 1.00 62.21 H new ATOM 0 HD22 ASN A 34 0.834 -7.286 12.476 1.00 62.21 H new ATOM 482 N PHE A 35 2.664 -3.399 8.929 1.00 52.54 N ATOM 483 CA PHE A 35 2.407 -2.939 7.569 1.00 41.32 C ATOM 484 C PHE A 35 3.715 -2.648 6.837 1.00 21.41 C ATOM 485 O PHE A 35 3.961 -3.174 5.752 1.00 23.53 O ATOM 486 CB PHE A 35 1.531 -1.685 7.588 1.00 45.40 C ATOM 487 CG PHE A 35 1.411 -1.016 6.250 1.00 71.34 C ATOM 488 CD1 PHE A 35 1.161 -1.761 5.109 1.00 60.24 C ATOM 489 CD2 PHE A 35 1.548 0.358 6.131 1.00 23.51 C ATOM 490 CE1 PHE A 35 1.050 -1.150 3.874 1.00 12.43 C ATOM 491 CE2 PHE A 35 1.437 0.975 4.900 1.00 13.21 C ATOM 492 CZ PHE A 35 1.189 0.221 3.769 1.00 11.05 C ATOM 0 H PHE A 35 2.288 -2.792 9.658 1.00 52.54 H new ATOM 0 HA PHE A 35 1.882 -3.732 7.038 1.00 41.32 H new ATOM 0 HB2 PHE A 35 0.535 -1.953 7.942 1.00 45.40 H new ATOM 0 HB3 PHE A 35 1.943 -0.975 8.304 1.00 45.40 H new ATOM 0 HD1 PHE A 35 1.051 -2.833 5.185 1.00 60.24 H new ATOM 0 HD2 PHE A 35 1.744 0.953 7.011 1.00 23.51 H new ATOM 0 HE1 PHE A 35 0.855 -1.743 2.993 1.00 12.43 H new ATOM 0 HE2 PHE A 35 1.544 2.047 4.822 1.00 13.21 H new ATOM 0 HZ PHE A 35 1.104 0.702 2.806 1.00 11.05 H new ATOM 502 N ARG A 36 4.548 -1.806 7.440 1.00 54.03 N ATOM 503 CA ARG A 36 5.829 -1.443 6.844 1.00 5.32 C ATOM 504 C ARG A 36 6.680 -2.683 6.589 1.00 2.20 C ATOM 505 O ARG A 36 7.304 -2.813 5.535 1.00 3.21 O ATOM 506 CB ARG A 36 6.583 -0.474 7.757 1.00 11.24 C ATOM 507 CG ARG A 36 5.738 0.697 8.232 1.00 13.43 C ATOM 508 CD ARG A 36 6.338 2.027 7.803 1.00 44.43 C ATOM 509 NE ARG A 36 6.059 2.328 6.402 1.00 60.53 N ATOM 510 CZ ARG A 36 6.131 3.549 5.883 1.00 24.53 C ATOM 511 NH1 ARG A 36 6.473 4.577 6.647 1.00 54.54 N ATOM 512 NH2 ARG A 36 5.862 3.742 4.598 1.00 64.32 N ATOM 0 H ARG A 36 4.360 -1.363 8.339 1.00 54.03 H new ATOM 0 HA ARG A 36 5.632 -0.955 5.889 1.00 5.32 H new ATOM 0 HB2 ARG A 36 6.953 -1.020 8.625 1.00 11.24 H new ATOM 0 HB3 ARG A 36 7.454 -0.091 7.226 1.00 11.24 H new ATOM 0 HG2 ARG A 36 4.729 0.605 7.830 1.00 13.43 H new ATOM 0 HG3 ARG A 36 5.653 0.669 9.318 1.00 13.43 H new ATOM 0 HD2 ARG A 36 5.939 2.824 8.431 1.00 44.43 H new ATOM 0 HD3 ARG A 36 7.416 2.006 7.961 1.00 44.43 H new ATOM 0 HE ARG A 36 5.794 1.558 5.787 1.00 60.53 H new ATOM 0 HH11 ARG A 36 6.681 4.431 7.635 1.00 54.54 H new ATOM 0 HH12 ARG A 36 6.528 5.514 6.247 1.00 54.54 H new ATOM 0 HH21 ARG A 36 5.600 2.953 4.008 1.00 64.32 H new ATOM 0 HH22 ARG A 36 5.918 4.680 4.201 1.00 64.32 H new ATOM 526 N TRP A 37 6.701 -3.590 7.558 1.00 20.23 N ATOM 527 CA TRP A 37 7.477 -4.820 7.438 1.00 40.00 C ATOM 528 C TRP A 37 7.023 -5.633 6.231 1.00 4.52 C ATOM 529 O TRP A 37 7.835 -6.269 5.559 1.00 62.22 O ATOM 530 CB TRP A 37 7.345 -5.656 8.711 1.00 23.11 C ATOM 531 CG TRP A 37 7.940 -7.026 8.586 1.00 31.24 C ATOM 532 CD1 TRP A 37 9.176 -7.425 9.009 1.00 23.11 C ATOM 533 CD2 TRP A 37 7.326 -8.177 7.997 1.00 33.11 C ATOM 534 NE1 TRP A 37 9.367 -8.754 8.718 1.00 31.32 N ATOM 535 CE2 TRP A 37 8.246 -9.239 8.098 1.00 75.12 C ATOM 536 CE3 TRP A 37 6.086 -8.414 7.395 1.00 21.41 C ATOM 537 CZ2 TRP A 37 7.964 -10.516 7.618 1.00 53.14 C ATOM 538 CZ3 TRP A 37 5.809 -9.682 6.919 1.00 25.14 C ATOM 539 CH2 TRP A 37 6.744 -10.719 7.034 1.00 33.42 C ATOM 0 H TRP A 37 6.190 -3.498 8.436 1.00 20.23 H new ATOM 0 HA TRP A 37 8.523 -4.549 7.297 1.00 40.00 H new ATOM 0 HB2 TRP A 37 7.830 -5.131 9.534 1.00 23.11 H new ATOM 0 HB3 TRP A 37 6.290 -5.748 8.969 1.00 23.11 H new ATOM 0 HD1 TRP A 37 9.897 -6.789 9.500 1.00 23.11 H new ATOM 0 HE1 TRP A 37 10.207 -9.292 8.929 1.00 31.32 H new ATOM 0 HE3 TRP A 37 5.358 -7.621 7.304 1.00 21.41 H new ATOM 0 HZ2 TRP A 37 8.683 -11.317 7.704 1.00 53.14 H new ATOM 0 HZ3 TRP A 37 4.856 -9.877 6.450 1.00 25.14 H new ATOM 0 HH2 TRP A 37 6.496 -11.699 6.654 1.00 33.42 H new ATOM 550 N ALA A 38 5.722 -5.608 5.962 1.00 60.41 N ATOM 551 CA ALA A 38 5.162 -6.343 4.833 1.00 12.31 C ATOM 552 C ALA A 38 5.567 -5.705 3.508 1.00 22.32 C ATOM 553 O ALA A 38 6.204 -6.345 2.670 1.00 2.32 O ATOM 554 CB ALA A 38 3.646 -6.410 4.947 1.00 1.34 C ATOM 0 H ALA A 38 5.036 -5.088 6.509 1.00 60.41 H new ATOM 0 HA ALA A 38 5.562 -7.357 4.856 1.00 12.31 H new ATOM 0 HB1 ALA A 38 3.241 -6.961 4.098 1.00 1.34 H new ATOM 0 HB2 ALA A 38 3.373 -6.917 5.872 1.00 1.34 H new ATOM 0 HB3 ALA A 38 3.237 -5.400 4.952 1.00 1.34 H new ATOM 560 N ILE A 39 5.193 -4.443 3.326 1.00 71.24 N ATOM 561 CA ILE A 39 5.518 -3.721 2.102 1.00 53.10 C ATOM 562 C ILE A 39 7.023 -3.697 1.860 1.00 3.41 C ATOM 563 O ILE A 39 7.483 -3.826 0.726 1.00 34.53 O ATOM 564 CB ILE A 39 4.994 -2.273 2.147 1.00 22.41 C ATOM 565 CG1 ILE A 39 5.392 -1.524 0.874 1.00 35.04 C ATOM 566 CG2 ILE A 39 5.526 -1.556 3.379 1.00 40.03 C ATOM 567 CD1 ILE A 39 4.778 -0.144 0.768 1.00 64.50 C ATOM 0 H ILE A 39 4.665 -3.900 4.009 1.00 71.24 H new ATOM 0 HA ILE A 39 5.030 -4.251 1.284 1.00 53.10 H new ATOM 0 HB ILE A 39 3.906 -2.297 2.206 1.00 22.41 H new ATOM 0 HG12 ILE A 39 6.478 -1.434 0.840 1.00 35.04 H new ATOM 0 HG13 ILE A 39 5.094 -2.113 0.007 1.00 35.04 H new ATOM 0 HG21 ILE A 39 5.147 -0.534 3.397 1.00 40.03 H new ATOM 0 HG22 ILE A 39 5.197 -2.081 4.276 1.00 40.03 H new ATOM 0 HG23 ILE A 39 6.615 -1.539 3.348 1.00 40.03 H new ATOM 0 HD11 ILE A 39 5.103 0.329 -0.159 1.00 64.50 H new ATOM 0 HD12 ILE A 39 3.691 -0.228 0.770 1.00 64.50 H new ATOM 0 HD13 ILE A 39 5.097 0.462 1.616 1.00 64.50 H new ATOM 579 N ARG A 40 7.787 -3.533 2.936 1.00 5.23 N ATOM 580 CA ARG A 40 9.242 -3.493 2.842 1.00 33.24 C ATOM 581 C ARG A 40 9.784 -4.794 2.258 1.00 33.35 C ATOM 582 O ARG A 40 10.561 -4.781 1.304 1.00 63.52 O ATOM 583 CB ARG A 40 9.857 -3.245 4.220 1.00 33.14 C ATOM 584 CG ARG A 40 9.858 -1.783 4.632 1.00 43.23 C ATOM 585 CD ARG A 40 11.194 -1.121 4.331 1.00 23.10 C ATOM 586 NE ARG A 40 11.714 -0.388 5.482 1.00 50.32 N ATOM 587 CZ ARG A 40 11.181 0.741 5.937 1.00 31.34 C ATOM 588 NH1 ARG A 40 10.118 1.262 5.340 1.00 13.45 N ATOM 589 NH2 ARG A 40 11.711 1.348 6.990 1.00 54.42 N ATOM 0 H ARG A 40 7.423 -3.426 3.883 1.00 5.23 H new ATOM 0 HA ARG A 40 9.516 -2.674 2.177 1.00 33.24 H new ATOM 0 HB2 ARG A 40 9.307 -3.823 4.963 1.00 33.14 H new ATOM 0 HB3 ARG A 40 10.882 -3.615 4.223 1.00 33.14 H new ATOM 0 HG2 ARG A 40 9.062 -1.255 4.106 1.00 43.23 H new ATOM 0 HG3 ARG A 40 9.643 -1.704 5.698 1.00 43.23 H new ATOM 0 HD2 ARG A 40 11.915 -1.881 4.029 1.00 23.10 H new ATOM 0 HD3 ARG A 40 11.079 -0.439 3.489 1.00 23.10 H new ATOM 0 HE ARG A 40 12.531 -0.763 5.963 1.00 50.32 H new ATOM 0 HH11 ARG A 40 9.708 0.796 4.530 1.00 13.45 H new ATOM 0 HH12 ARG A 40 9.710 2.129 5.690 1.00 13.45 H new ATOM 0 HH21 ARG A 40 12.528 0.948 7.451 1.00 54.42 H new ATOM 0 HH22 ARG A 40 11.301 2.215 7.339 1.00 54.42 H new ATOM 603 N MET A 41 9.369 -5.916 2.837 1.00 15.53 N ATOM 604 CA MET A 41 9.812 -7.225 2.373 1.00 3.25 C ATOM 605 C MET A 41 9.290 -7.510 0.969 1.00 73.20 C ATOM 606 O MET A 41 10.006 -8.056 0.130 1.00 14.03 O ATOM 607 CB MET A 41 9.342 -8.318 3.336 1.00 41.55 C ATOM 608 CG MET A 41 10.120 -9.617 3.208 1.00 63.13 C ATOM 609 SD MET A 41 10.015 -10.640 4.689 1.00 55.41 S ATOM 610 CE MET A 41 11.734 -10.697 5.185 1.00 5.21 C ATOM 0 H MET A 41 8.726 -5.945 3.629 1.00 15.53 H new ATOM 0 HA MET A 41 10.902 -7.222 2.343 1.00 3.25 H new ATOM 0 HB2 MET A 41 9.429 -7.951 4.359 1.00 41.55 H new ATOM 0 HB3 MET A 41 8.285 -8.518 3.158 1.00 41.55 H new ATOM 0 HG2 MET A 41 9.741 -10.180 2.355 1.00 63.13 H new ATOM 0 HG3 MET A 41 11.166 -9.390 3.001 1.00 63.13 H new ATOM 0 HE1 MET A 41 11.832 -11.296 6.090 1.00 5.21 H new ATOM 0 HE2 MET A 41 12.328 -11.144 4.388 1.00 5.21 H new ATOM 0 HE3 MET A 41 12.090 -9.685 5.379 1.00 5.21 H new ATOM 620 N ALA A 42 8.038 -7.138 0.721 1.00 43.34 N ATOM 621 CA ALA A 42 7.423 -7.352 -0.582 1.00 34.23 C ATOM 622 C ALA A 42 8.172 -6.598 -1.675 1.00 13.31 C ATOM 623 O ALA A 42 8.341 -7.100 -2.786 1.00 12.51 O ATOM 624 CB ALA A 42 5.962 -6.927 -0.552 1.00 22.51 C ATOM 0 H ALA A 42 7.431 -6.687 1.406 1.00 43.34 H new ATOM 0 HA ALA A 42 7.477 -8.417 -0.810 1.00 34.23 H new ATOM 0 HB1 ALA A 42 5.515 -7.092 -1.532 1.00 22.51 H new ATOM 0 HB2 ALA A 42 5.427 -7.514 0.195 1.00 22.51 H new ATOM 0 HB3 ALA A 42 5.896 -5.869 -0.297 1.00 22.51 H new ATOM 630 N ASN A 43 8.619 -5.388 -1.353 1.00 11.33 N ATOM 631 CA ASN A 43 9.350 -4.563 -2.308 1.00 33.45 C ATOM 632 C ASN A 43 10.685 -5.205 -2.671 1.00 64.40 C ATOM 633 O ASN A 43 10.983 -5.424 -3.845 1.00 13.43 O ATOM 634 CB ASN A 43 9.583 -3.165 -1.732 1.00 72.54 C ATOM 635 CG ASN A 43 8.290 -2.397 -1.541 1.00 4.32 C ATOM 636 OD1 ASN A 43 7.236 -2.798 -2.034 1.00 11.11 O ATOM 637 ND2 ASN A 43 8.365 -1.283 -0.819 1.00 23.45 N ATOM 0 H ASN A 43 8.488 -4.957 -0.438 1.00 11.33 H new ATOM 0 HA ASN A 43 8.749 -4.480 -3.214 1.00 33.45 H new ATOM 0 HB2 ASN A 43 10.097 -3.250 -0.774 1.00 72.54 H new ATOM 0 HB3 ASN A 43 10.240 -2.605 -2.398 1.00 72.54 H new ATOM 0 HD21 ASN A 43 7.528 -0.724 -0.655 1.00 23.45 H new ATOM 0 HD22 ASN A 43 9.260 -0.987 -0.429 1.00 23.45 H new ATOM 644 N VAL A 44 11.488 -5.506 -1.654 1.00 35.02 N ATOM 645 CA VAL A 44 12.791 -6.124 -1.864 1.00 74.24 C ATOM 646 C VAL A 44 12.650 -7.489 -2.531 1.00 1.30 C ATOM 647 O VAL A 44 13.456 -7.860 -3.384 1.00 14.11 O ATOM 648 CB VAL A 44 13.554 -6.289 -0.537 1.00 60.53 C ATOM 649 CG1 VAL A 44 12.729 -7.090 0.458 1.00 53.52 C ATOM 650 CG2 VAL A 44 14.903 -6.951 -0.778 1.00 32.43 C ATOM 0 H VAL A 44 11.258 -5.331 -0.676 1.00 35.02 H new ATOM 0 HA VAL A 44 13.356 -5.460 -2.518 1.00 74.24 H new ATOM 0 HB VAL A 44 13.730 -5.300 -0.114 1.00 60.53 H new ATOM 0 HG11 VAL A 44 13.285 -7.196 1.390 1.00 53.52 H new ATOM 0 HG12 VAL A 44 11.790 -6.572 0.653 1.00 53.52 H new ATOM 0 HG13 VAL A 44 12.520 -8.077 0.046 1.00 53.52 H new ATOM 0 HG21 VAL A 44 15.429 -7.060 0.170 1.00 32.43 H new ATOM 0 HG22 VAL A 44 14.751 -7.934 -1.224 1.00 32.43 H new ATOM 0 HG23 VAL A 44 15.496 -6.334 -1.453 1.00 32.43 H new ATOM 660 N SER A 45 11.621 -8.231 -2.136 1.00 10.31 N ATOM 661 CA SER A 45 11.376 -9.556 -2.692 1.00 70.33 C ATOM 662 C SER A 45 11.252 -9.493 -4.211 1.00 30.10 C ATOM 663 O SER A 45 11.516 -10.474 -4.909 1.00 40.50 O ATOM 664 CB SER A 45 10.106 -10.159 -2.089 1.00 74.21 C ATOM 665 OG SER A 45 10.401 -10.916 -0.929 1.00 14.11 O ATOM 0 H SER A 45 10.943 -7.937 -1.433 1.00 10.31 H new ATOM 0 HA SER A 45 12.225 -10.191 -2.440 1.00 70.33 H new ATOM 0 HB2 SER A 45 9.405 -9.363 -1.839 1.00 74.21 H new ATOM 0 HB3 SER A 45 9.616 -10.794 -2.827 1.00 74.21 H new ATOM 0 HG SER A 45 10.396 -10.328 -0.145 1.00 14.11 H new ATOM 671 N THR A 46 10.849 -8.333 -4.718 1.00 15.40 N ATOM 672 CA THR A 46 10.688 -8.140 -6.154 1.00 25.21 C ATOM 673 C THR A 46 11.856 -7.354 -6.738 1.00 44.43 C ATOM 674 O THR A 46 12.082 -7.364 -7.946 1.00 41.13 O ATOM 675 CB THR A 46 9.375 -7.403 -6.479 1.00 10.13 C ATOM 676 OG1 THR A 46 9.251 -6.237 -5.656 1.00 41.03 O ATOM 677 CG2 THR A 46 8.176 -8.313 -6.261 1.00 33.14 C ATOM 0 H THR A 46 10.628 -7.512 -4.155 1.00 15.40 H new ATOM 0 HA THR A 46 10.660 -9.132 -6.604 1.00 25.21 H new ATOM 0 HB THR A 46 9.400 -7.106 -7.528 1.00 10.13 H new ATOM 0 HG1 THR A 46 10.133 -5.984 -5.312 1.00 41.03 H new ATOM 0 HG21 THR A 46 7.260 -7.771 -6.497 1.00 33.14 H new ATOM 0 HG22 THR A 46 8.259 -9.185 -6.909 1.00 33.14 H new ATOM 0 HG23 THR A 46 8.149 -8.636 -5.220 1.00 33.14 H new ATOM 685 N GLY A 47 12.598 -6.672 -5.869 1.00 52.44 N ATOM 686 CA GLY A 47 13.735 -5.889 -6.318 1.00 32.01 C ATOM 687 C GLY A 47 13.323 -4.557 -6.913 1.00 4.20 C ATOM 688 O GLY A 47 13.957 -4.065 -7.847 1.00 2.51 O ATOM 0 H GLY A 47 12.432 -6.648 -4.863 1.00 52.44 H new ATOM 0 HA2 GLY A 47 14.407 -5.716 -5.478 1.00 32.01 H new ATOM 0 HA3 GLY A 47 14.294 -6.458 -7.061 1.00 32.01 H new ATOM 692 N ARG A 48 12.259 -3.973 -6.373 1.00 30.22 N ATOM 693 CA ARG A 48 11.762 -2.691 -6.858 1.00 30.51 C ATOM 694 C ARG A 48 12.349 -1.539 -6.049 1.00 11.15 C ATOM 695 O ARG A 48 11.627 -0.637 -5.623 1.00 20.21 O ATOM 696 CB ARG A 48 10.234 -2.652 -6.788 1.00 21.45 C ATOM 697 CG ARG A 48 9.603 -1.695 -7.786 1.00 34.33 C ATOM 698 CD ARG A 48 8.476 -2.362 -8.560 1.00 13.02 C ATOM 699 NE ARG A 48 8.270 -1.744 -9.867 1.00 71.43 N ATOM 700 CZ ARG A 48 7.659 -0.578 -10.041 1.00 35.04 C ATOM 701 NH1 ARG A 48 7.195 0.093 -8.997 1.00 0.43 N ATOM 702 NH2 ARG A 48 7.510 -0.081 -11.262 1.00 54.31 N ATOM 0 H ARG A 48 11.724 -4.367 -5.599 1.00 30.22 H new ATOM 0 HA ARG A 48 12.074 -2.578 -7.896 1.00 30.51 H new ATOM 0 HB2 ARG A 48 9.845 -3.655 -6.963 1.00 21.45 H new ATOM 0 HB3 ARG A 48 9.932 -2.365 -5.781 1.00 21.45 H new ATOM 0 HG2 ARG A 48 9.218 -0.821 -7.261 1.00 34.33 H new ATOM 0 HG3 ARG A 48 10.363 -1.339 -8.482 1.00 34.33 H new ATOM 0 HD2 ARG A 48 8.703 -3.420 -8.691 1.00 13.02 H new ATOM 0 HD3 ARG A 48 7.554 -2.303 -7.981 1.00 13.02 H new ATOM 0 HE ARG A 48 8.615 -2.235 -10.692 1.00 71.43 H new ATOM 0 HH11 ARG A 48 7.307 -0.286 -8.057 1.00 0.43 H new ATOM 0 HH12 ARG A 48 6.726 0.988 -9.134 1.00 0.43 H new ATOM 0 HH21 ARG A 48 7.865 -0.595 -12.069 1.00 54.31 H new ATOM 0 HH22 ARG A 48 7.040 0.815 -11.394 1.00 54.31 H new ATOM 716 N GLU A 49 13.661 -1.576 -5.841 1.00 24.15 N ATOM 717 CA GLU A 49 14.343 -0.535 -5.080 1.00 74.24 C ATOM 718 C GLU A 49 13.843 -0.498 -3.640 1.00 42.41 C ATOM 719 O GLU A 49 12.765 -0.996 -3.316 1.00 53.11 O ATOM 720 CB GLU A 49 14.134 0.829 -5.740 1.00 34.21 C ATOM 721 CG GLU A 49 15.344 1.325 -6.513 1.00 44.04 C ATOM 722 CD GLU A 49 15.092 1.407 -8.005 1.00 55.12 C ATOM 723 OE1 GLU A 49 15.317 2.490 -8.585 1.00 54.23 O ATOM 724 OE2 GLU A 49 14.668 0.391 -8.593 1.00 62.52 O ATOM 0 H GLU A 49 14.273 -2.315 -6.188 1.00 24.15 H new ATOM 0 HA GLU A 49 15.408 -0.766 -5.070 1.00 74.24 H new ATOM 0 HB2 GLU A 49 13.281 0.769 -6.417 1.00 34.21 H new ATOM 0 HB3 GLU A 49 13.880 1.559 -4.972 1.00 34.21 H new ATOM 0 HG2 GLU A 49 15.628 2.310 -6.142 1.00 44.04 H new ATOM 0 HG3 GLU A 49 16.187 0.659 -6.327 1.00 44.04 H new ATOM 731 N PRO A 50 14.646 0.108 -2.752 1.00 23.45 N ATOM 732 CA PRO A 50 14.307 0.225 -1.330 1.00 4.40 C ATOM 733 C PRO A 50 13.149 1.188 -1.088 1.00 43.30 C ATOM 734 O PRO A 50 12.202 0.866 -0.373 1.00 15.22 O ATOM 735 CB PRO A 50 15.594 0.767 -0.702 1.00 21.34 C ATOM 736 CG PRO A 50 16.285 1.480 -1.812 1.00 41.31 C ATOM 737 CD PRO A 50 15.946 0.724 -3.066 1.00 12.21 C ATOM 0 HA PRO A 50 13.979 -0.725 -0.909 1.00 4.40 H new ATOM 0 HB2 PRO A 50 15.377 1.441 0.127 1.00 21.34 H new ATOM 0 HB3 PRO A 50 16.211 -0.039 -0.305 1.00 21.34 H new ATOM 0 HG2 PRO A 50 15.951 2.515 -1.878 1.00 41.31 H new ATOM 0 HG3 PRO A 50 17.363 1.503 -1.650 1.00 41.31 H new ATOM 0 HD2 PRO A 50 15.879 1.387 -3.929 1.00 12.21 H new ATOM 0 HD3 PRO A 50 16.701 -0.027 -3.299 1.00 12.21 H new ATOM 745 N GLY A 51 13.234 2.371 -1.688 1.00 62.32 N ATOM 746 CA GLY A 51 12.187 3.362 -1.526 1.00 3.21 C ATOM 747 C GLY A 51 11.036 3.153 -2.489 1.00 54.33 C ATOM 748 O GLY A 51 10.878 3.907 -3.450 1.00 41.41 O ATOM 0 H GLY A 51 14.010 2.661 -2.284 1.00 62.32 H new ATOM 0 HA2 GLY A 51 11.812 3.326 -0.503 1.00 3.21 H new ATOM 0 HA3 GLY A 51 12.606 4.357 -1.677 1.00 3.21 H new ATOM 752 N ASP A 52 10.232 2.128 -2.234 1.00 73.54 N ATOM 753 CA ASP A 52 9.090 1.821 -3.088 1.00 62.12 C ATOM 754 C ASP A 52 7.779 2.012 -2.331 1.00 42.11 C ATOM 755 O ASP A 52 7.280 1.086 -1.691 1.00 21.42 O ATOM 756 CB ASP A 52 9.187 0.387 -3.611 1.00 40.15 C ATOM 757 CG ASP A 52 7.901 -0.079 -4.263 1.00 75.24 C ATOM 758 OD1 ASP A 52 7.073 -0.704 -3.566 1.00 65.35 O ATOM 759 OD2 ASP A 52 7.720 0.181 -5.471 1.00 50.31 O ATOM 0 H ASP A 52 10.349 1.495 -1.443 1.00 73.54 H new ATOM 0 HA ASP A 52 9.105 2.509 -3.933 1.00 62.12 H new ATOM 0 HB2 ASP A 52 10.001 0.321 -4.332 1.00 40.15 H new ATOM 0 HB3 ASP A 52 9.436 -0.281 -2.787 1.00 40.15 H new ATOM 764 N ILE A 53 7.229 3.219 -2.407 1.00 35.45 N ATOM 765 CA ILE A 53 5.976 3.531 -1.728 1.00 60.54 C ATOM 766 C ILE A 53 4.863 3.811 -2.732 1.00 51.24 C ATOM 767 O ILE A 53 4.449 4.953 -2.934 1.00 11.13 O ATOM 768 CB ILE A 53 6.129 4.746 -0.796 1.00 24.13 C ATOM 769 CG1 ILE A 53 7.367 4.585 0.090 1.00 74.24 C ATOM 770 CG2 ILE A 53 4.882 4.919 0.058 1.00 14.21 C ATOM 771 CD1 ILE A 53 7.618 5.767 0.998 1.00 42.33 C ATOM 0 H ILE A 53 7.630 3.997 -2.931 1.00 35.45 H new ATOM 0 HA ILE A 53 5.713 2.657 -1.132 1.00 60.54 H new ATOM 0 HB ILE A 53 6.255 5.639 -1.407 1.00 24.13 H new ATOM 0 HG12 ILE A 53 7.254 3.688 0.698 1.00 74.24 H new ATOM 0 HG13 ILE A 53 8.240 4.433 -0.544 1.00 74.24 H new ATOM 0 HG21 ILE A 53 5.006 5.782 0.712 1.00 14.21 H new ATOM 0 HG22 ILE A 53 4.017 5.074 -0.588 1.00 14.21 H new ATOM 0 HG23 ILE A 53 4.728 4.025 0.663 1.00 14.21 H new ATOM 0 HD11 ILE A 53 8.510 5.583 1.596 1.00 42.33 H new ATOM 0 HD12 ILE A 53 7.763 6.664 0.396 1.00 42.33 H new ATOM 0 HD13 ILE A 53 6.762 5.907 1.658 1.00 42.33 H new ATOM 783 N PRO A 54 4.364 2.745 -3.376 1.00 52.01 N ATOM 784 CA PRO A 54 3.290 2.851 -4.367 1.00 73.22 C ATOM 785 C PRO A 54 1.952 3.218 -3.735 1.00 52.13 C ATOM 786 O PRO A 54 1.440 2.495 -2.882 1.00 15.23 O ATOM 787 CB PRO A 54 3.227 1.447 -4.973 1.00 71.34 C ATOM 788 CG PRO A 54 3.768 0.552 -3.912 1.00 74.25 C ATOM 789 CD PRO A 54 4.810 1.355 -3.184 1.00 54.15 C ATOM 0 HA PRO A 54 3.485 3.637 -5.096 1.00 73.22 H new ATOM 0 HB2 PRO A 54 2.205 1.175 -5.237 1.00 71.34 H new ATOM 0 HB3 PRO A 54 3.820 1.383 -5.885 1.00 71.34 H new ATOM 0 HG2 PRO A 54 2.978 0.230 -3.233 1.00 74.25 H new ATOM 0 HG3 PRO A 54 4.202 -0.349 -4.345 1.00 74.25 H new ATOM 0 HD2 PRO A 54 4.856 1.090 -2.128 1.00 54.15 H new ATOM 0 HD3 PRO A 54 5.805 1.191 -3.598 1.00 54.15 H new ATOM 797 N GLU A 55 1.391 4.346 -4.160 1.00 72.54 N ATOM 798 CA GLU A 55 0.111 4.808 -3.635 1.00 44.54 C ATOM 799 C GLU A 55 -0.993 4.648 -4.675 1.00 33.34 C ATOM 800 O GLU A 55 -1.726 5.592 -4.971 1.00 40.23 O ATOM 801 CB GLU A 55 0.212 6.273 -3.202 1.00 72.54 C ATOM 802 CG GLU A 55 1.464 6.586 -2.401 1.00 61.40 C ATOM 803 CD GLU A 55 2.565 7.188 -3.252 1.00 64.53 C ATOM 804 OE1 GLU A 55 3.479 7.820 -2.680 1.00 34.43 O ATOM 805 OE2 GLU A 55 2.516 7.026 -4.489 1.00 72.14 O ATOM 0 H GLU A 55 1.802 4.956 -4.866 1.00 72.54 H new ATOM 0 HA GLU A 55 -0.140 4.197 -2.768 1.00 44.54 H new ATOM 0 HB2 GLU A 55 0.190 6.907 -4.088 1.00 72.54 H new ATOM 0 HB3 GLU A 55 -0.664 6.528 -2.605 1.00 72.54 H new ATOM 0 HG2 GLU A 55 1.213 7.277 -1.596 1.00 61.40 H new ATOM 0 HG3 GLU A 55 1.830 5.672 -1.934 1.00 61.40 H new ATOM 812 N THR A 56 -1.109 3.444 -5.226 1.00 73.43 N ATOM 813 CA THR A 56 -2.123 3.159 -6.234 1.00 30.43 C ATOM 814 C THR A 56 -2.606 1.717 -6.135 1.00 13.04 C ATOM 815 O THR A 56 -1.804 0.783 -6.097 1.00 52.32 O ATOM 816 CB THR A 56 -1.588 3.412 -7.657 1.00 13.10 C ATOM 817 OG1 THR A 56 -0.596 2.434 -7.989 1.00 44.23 O ATOM 818 CG2 THR A 56 -0.991 4.807 -7.770 1.00 41.22 C ATOM 0 H THR A 56 -0.513 2.650 -4.991 1.00 73.43 H new ATOM 0 HA THR A 56 -2.957 3.833 -6.042 1.00 30.43 H new ATOM 0 HB THR A 56 -2.422 3.333 -8.355 1.00 13.10 H new ATOM 0 HG1 THR A 56 -0.759 2.098 -8.895 1.00 44.23 H new ATOM 0 HG21 THR A 56 -0.620 4.963 -8.783 1.00 41.22 H new ATOM 0 HG22 THR A 56 -1.757 5.550 -7.546 1.00 41.22 H new ATOM 0 HG23 THR A 56 -0.168 4.909 -7.062 1.00 41.22 H new ATOM 826 N LEU A 57 -3.923 1.541 -6.094 1.00 51.22 N ATOM 827 CA LEU A 57 -4.514 0.211 -5.999 1.00 32.33 C ATOM 828 C LEU A 57 -3.960 -0.710 -7.082 1.00 43.42 C ATOM 829 O LEU A 57 -3.866 -1.922 -6.891 1.00 74.24 O ATOM 830 CB LEU A 57 -6.037 0.299 -6.119 1.00 64.42 C ATOM 831 CG LEU A 57 -6.802 -1.010 -5.915 1.00 51.23 C ATOM 832 CD1 LEU A 57 -7.532 -0.998 -4.581 1.00 4.02 C ATOM 833 CD2 LEU A 57 -7.782 -1.238 -7.057 1.00 70.55 C ATOM 0 H LEU A 57 -4.601 2.303 -6.125 1.00 51.22 H new ATOM 0 HA LEU A 57 -4.255 -0.206 -5.026 1.00 32.33 H new ATOM 0 HB2 LEU A 57 -6.398 1.025 -5.390 1.00 64.42 H new ATOM 0 HB3 LEU A 57 -6.282 0.690 -7.107 1.00 64.42 H new ATOM 0 HG LEU A 57 -6.085 -1.831 -5.908 1.00 51.23 H new ATOM 0 HD11 LEU A 57 -8.071 -1.937 -4.453 1.00 4.02 H new ATOM 0 HD12 LEU A 57 -6.811 -0.880 -3.772 1.00 4.02 H new ATOM 0 HD13 LEU A 57 -8.239 -0.168 -4.560 1.00 4.02 H new ATOM 0 HD21 LEU A 57 -8.318 -2.174 -6.896 1.00 70.55 H new ATOM 0 HD22 LEU A 57 -8.494 -0.414 -7.095 1.00 70.55 H new ATOM 0 HD23 LEU A 57 -7.237 -1.290 -7.999 1.00 70.55 H new ATOM 845 N ASP A 58 -3.592 -0.125 -8.217 1.00 60.03 N ATOM 846 CA ASP A 58 -3.043 -0.893 -9.329 1.00 51.44 C ATOM 847 C ASP A 58 -1.660 -1.436 -8.984 1.00 60.32 C ATOM 848 O ASP A 58 -1.347 -2.590 -9.275 1.00 40.21 O ATOM 849 CB ASP A 58 -2.964 -0.024 -10.586 1.00 13.55 C ATOM 850 CG ASP A 58 -2.432 -0.785 -11.783 1.00 35.41 C ATOM 851 OD1 ASP A 58 -1.362 -0.402 -12.303 1.00 2.34 O ATOM 852 OD2 ASP A 58 -3.084 -1.764 -12.202 1.00 24.34 O ATOM 0 H ASP A 58 -3.664 0.877 -8.391 1.00 60.03 H new ATOM 0 HA ASP A 58 -3.707 -1.736 -9.520 1.00 51.44 H new ATOM 0 HB2 ASP A 58 -3.955 0.365 -10.818 1.00 13.55 H new ATOM 0 HB3 ASP A 58 -2.322 0.835 -10.391 1.00 13.55 H new ATOM 857 N GLN A 59 -0.837 -0.596 -8.364 1.00 31.04 N ATOM 858 CA GLN A 59 0.512 -0.993 -7.982 1.00 51.53 C ATOM 859 C GLN A 59 0.478 -2.108 -6.942 1.00 63.24 C ATOM 860 O GLN A 59 1.247 -3.068 -7.021 1.00 15.03 O ATOM 861 CB GLN A 59 1.283 0.209 -7.433 1.00 21.20 C ATOM 862 CG GLN A 59 1.914 1.072 -8.513 1.00 43.11 C ATOM 863 CD GLN A 59 2.695 2.241 -7.945 1.00 14.22 C ATOM 864 OE1 GLN A 59 3.922 2.285 -8.034 1.00 4.32 O ATOM 865 NE2 GLN A 59 1.985 3.197 -7.357 1.00 4.44 N ATOM 0 H GLN A 59 -1.081 0.363 -8.116 1.00 31.04 H new ATOM 0 HA GLN A 59 1.019 -1.367 -8.871 1.00 51.53 H new ATOM 0 HB2 GLN A 59 0.607 0.823 -6.838 1.00 21.20 H new ATOM 0 HB3 GLN A 59 2.064 -0.147 -6.761 1.00 21.20 H new ATOM 0 HG2 GLN A 59 2.578 0.458 -9.121 1.00 43.11 H new ATOM 0 HG3 GLN A 59 1.133 1.449 -9.174 1.00 43.11 H new ATOM 0 HE21 GLN A 59 0.969 3.120 -7.306 1.00 4.44 H new ATOM 0 HE22 GLN A 59 2.455 4.009 -6.957 1.00 4.44 H new ATOM 874 N LEU A 60 -0.416 -1.976 -5.969 1.00 43.21 N ATOM 875 CA LEU A 60 -0.550 -2.972 -4.912 1.00 45.12 C ATOM 876 C LEU A 60 -0.913 -4.335 -5.493 1.00 64.44 C ATOM 877 O LEU A 60 -0.291 -5.346 -5.164 1.00 2.30 O ATOM 878 CB LEU A 60 -1.614 -2.536 -3.904 1.00 43.33 C ATOM 879 CG LEU A 60 -1.315 -1.254 -3.125 1.00 4.12 C ATOM 880 CD1 LEU A 60 -2.540 -0.353 -3.089 1.00 25.32 C ATOM 881 CD2 LEU A 60 -0.851 -1.584 -1.714 1.00 25.04 C ATOM 0 H LEU A 60 -1.059 -1.189 -5.890 1.00 43.21 H new ATOM 0 HA LEU A 60 0.410 -3.057 -4.403 1.00 45.12 H new ATOM 0 HB2 LEU A 60 -2.556 -2.403 -4.435 1.00 43.33 H new ATOM 0 HB3 LEU A 60 -1.762 -3.346 -3.189 1.00 43.33 H new ATOM 0 HG LEU A 60 -0.513 -0.720 -3.634 1.00 4.12 H new ATOM 0 HD11 LEU A 60 -2.308 0.554 -2.531 1.00 25.32 H new ATOM 0 HD12 LEU A 60 -2.828 -0.089 -4.107 1.00 25.32 H new ATOM 0 HD13 LEU A 60 -3.363 -0.877 -2.604 1.00 25.32 H new ATOM 0 HD21 LEU A 60 -0.643 -0.660 -1.174 1.00 25.04 H new ATOM 0 HD22 LEU A 60 -1.632 -2.140 -1.195 1.00 25.04 H new ATOM 0 HD23 LEU A 60 0.055 -2.189 -1.761 1.00 25.04 H new ATOM 893 N ARG A 61 -1.920 -4.355 -6.359 1.00 51.11 N ATOM 894 CA ARG A 61 -2.364 -5.594 -6.987 1.00 4.21 C ATOM 895 C ARG A 61 -1.226 -6.248 -7.764 1.00 73.13 C ATOM 896 O ARG A 61 -1.079 -7.471 -7.760 1.00 3.45 O ATOM 897 CB ARG A 61 -3.545 -5.323 -7.920 1.00 55.30 C ATOM 898 CG ARG A 61 -3.940 -6.521 -8.767 1.00 11.02 C ATOM 899 CD ARG A 61 -3.450 -6.378 -10.200 1.00 2.42 C ATOM 900 NE ARG A 61 -4.003 -7.408 -11.073 1.00 61.30 N ATOM 901 CZ ARG A 61 -3.837 -7.421 -12.391 1.00 32.12 C ATOM 902 NH1 ARG A 61 -3.138 -6.463 -12.984 1.00 41.11 N ATOM 903 NH2 ARG A 61 -4.372 -8.393 -13.119 1.00 34.01 N ATOM 0 H ARG A 61 -2.444 -3.527 -6.642 1.00 51.11 H new ATOM 0 HA ARG A 61 -2.682 -6.277 -6.200 1.00 4.21 H new ATOM 0 HB2 ARG A 61 -4.403 -5.011 -7.325 1.00 55.30 H new ATOM 0 HB3 ARG A 61 -3.294 -4.491 -8.578 1.00 55.30 H new ATOM 0 HG2 ARG A 61 -3.526 -7.429 -8.329 1.00 11.02 H new ATOM 0 HG3 ARG A 61 -5.025 -6.630 -8.762 1.00 11.02 H new ATOM 0 HD2 ARG A 61 -3.725 -5.394 -10.581 1.00 2.42 H new ATOM 0 HD3 ARG A 61 -2.362 -6.434 -10.218 1.00 2.42 H new ATOM 0 HE ARG A 61 -4.547 -8.159 -10.648 1.00 61.30 H new ATOM 0 HH11 ARG A 61 -2.726 -5.714 -12.428 1.00 41.11 H new ATOM 0 HH12 ARG A 61 -3.012 -6.476 -13.996 1.00 41.11 H new ATOM 0 HH21 ARG A 61 -4.911 -9.131 -12.667 1.00 34.01 H new ATOM 0 HH22 ARG A 61 -4.244 -8.402 -14.131 1.00 34.01 H new ATOM 917 N LEU A 62 -0.425 -5.426 -8.433 1.00 63.21 N ATOM 918 CA LEU A 62 0.701 -5.924 -9.217 1.00 10.34 C ATOM 919 C LEU A 62 1.772 -6.522 -8.311 1.00 71.45 C ATOM 920 O LEU A 62 2.258 -7.627 -8.553 1.00 23.43 O ATOM 921 CB LEU A 62 1.300 -4.796 -10.058 1.00 15.42 C ATOM 922 CG LEU A 62 1.547 -5.117 -11.532 1.00 72.01 C ATOM 923 CD1 LEU A 62 0.291 -4.865 -12.352 1.00 4.51 C ATOM 924 CD2 LEU A 62 2.710 -4.296 -12.070 1.00 63.13 C ATOM 0 H LEU A 62 -0.534 -4.412 -8.449 1.00 63.21 H new ATOM 0 HA LEU A 62 0.333 -6.707 -9.880 1.00 10.34 H new ATOM 0 HB2 LEU A 62 0.635 -3.935 -10.001 1.00 15.42 H new ATOM 0 HB3 LEU A 62 2.247 -4.498 -9.608 1.00 15.42 H new ATOM 0 HG LEU A 62 1.804 -6.173 -11.615 1.00 72.01 H new ATOM 0 HD11 LEU A 62 0.487 -5.099 -13.398 1.00 4.51 H new ATOM 0 HD12 LEU A 62 -0.517 -5.497 -11.984 1.00 4.51 H new ATOM 0 HD13 LEU A 62 0.002 -3.818 -12.262 1.00 4.51 H new ATOM 0 HD21 LEU A 62 2.871 -4.538 -13.121 1.00 63.13 H new ATOM 0 HD22 LEU A 62 2.482 -3.235 -11.973 1.00 63.13 H new ATOM 0 HD23 LEU A 62 3.611 -4.527 -11.502 1.00 63.13 H new ATOM 936 N VAL A 63 2.135 -5.786 -7.266 1.00 64.52 N ATOM 937 CA VAL A 63 3.148 -6.245 -6.322 1.00 1.14 C ATOM 938 C VAL A 63 2.811 -7.632 -5.787 1.00 31.31 C ATOM 939 O VAL A 63 3.692 -8.479 -5.629 1.00 73.45 O ATOM 940 CB VAL A 63 3.293 -5.272 -5.137 1.00 21.10 C ATOM 941 CG1 VAL A 63 4.329 -5.785 -4.148 1.00 63.14 C ATOM 942 CG2 VAL A 63 3.659 -3.881 -5.633 1.00 32.05 C ATOM 0 H VAL A 63 1.743 -4.869 -7.051 1.00 64.52 H new ATOM 0 HA VAL A 63 4.092 -6.287 -6.866 1.00 1.14 H new ATOM 0 HB VAL A 63 2.335 -5.209 -4.621 1.00 21.10 H new ATOM 0 HG11 VAL A 63 4.418 -5.084 -3.318 1.00 63.14 H new ATOM 0 HG12 VAL A 63 4.019 -6.759 -3.769 1.00 63.14 H new ATOM 0 HG13 VAL A 63 5.293 -5.880 -4.647 1.00 63.14 H new ATOM 0 HG21 VAL A 63 3.758 -3.206 -4.783 1.00 32.05 H new ATOM 0 HG22 VAL A 63 4.605 -3.925 -6.173 1.00 32.05 H new ATOM 0 HG23 VAL A 63 2.877 -3.515 -6.299 1.00 32.05 H new ATOM 952 N ILE A 64 1.531 -7.860 -5.511 1.00 0.12 N ATOM 953 CA ILE A 64 1.078 -9.146 -4.996 1.00 12.55 C ATOM 954 C ILE A 64 1.309 -10.258 -6.013 1.00 4.41 C ATOM 955 O ILE A 64 1.969 -11.255 -5.718 1.00 11.05 O ATOM 956 CB ILE A 64 -0.416 -9.107 -4.622 1.00 72.23 C ATOM 957 CG1 ILE A 64 -0.673 -8.032 -3.566 1.00 10.22 C ATOM 958 CG2 ILE A 64 -0.871 -10.470 -4.121 1.00 33.21 C ATOM 959 CD1 ILE A 64 -2.113 -7.573 -3.509 1.00 1.32 C ATOM 0 H ILE A 64 0.790 -7.171 -5.636 1.00 0.12 H new ATOM 0 HA ILE A 64 1.663 -9.351 -4.100 1.00 12.55 H new ATOM 0 HB ILE A 64 -0.992 -8.857 -5.513 1.00 72.23 H new ATOM 0 HG12 ILE A 64 -0.384 -8.418 -2.588 1.00 10.22 H new ATOM 0 HG13 ILE A 64 -0.034 -7.173 -3.771 1.00 10.22 H new ATOM 0 HG21 ILE A 64 -1.929 -10.427 -3.860 1.00 33.21 H new ATOM 0 HG22 ILE A 64 -0.720 -11.214 -4.903 1.00 33.21 H new ATOM 0 HG23 ILE A 64 -0.291 -10.746 -3.240 1.00 33.21 H new ATOM 0 HD11 ILE A 64 -2.222 -6.810 -2.738 1.00 1.32 H new ATOM 0 HD12 ILE A 64 -2.401 -7.157 -4.474 1.00 1.32 H new ATOM 0 HD13 ILE A 64 -2.756 -8.421 -3.274 1.00 1.32 H new ATOM 971 N CYS A 65 0.763 -10.078 -7.210 1.00 23.33 N ATOM 972 CA CYS A 65 0.909 -11.067 -8.272 1.00 61.54 C ATOM 973 C CYS A 65 2.378 -11.427 -8.482 1.00 13.33 C ATOM 974 O CYS A 65 2.713 -12.582 -8.741 1.00 35.14 O ATOM 975 CB CYS A 65 0.311 -10.538 -9.577 1.00 10.01 C ATOM 976 SG CYS A 65 0.306 -11.739 -10.928 1.00 64.13 S ATOM 0 H CYS A 65 0.216 -9.257 -7.470 1.00 23.33 H new ATOM 0 HA CYS A 65 0.371 -11.967 -7.972 1.00 61.54 H new ATOM 0 HB2 CYS A 65 -0.713 -10.214 -9.390 1.00 10.01 H new ATOM 0 HB3 CYS A 65 0.872 -9.657 -9.890 1.00 10.01 H new ATOM 0 HG CYS A 65 -0.220 -11.199 -11.987 1.00 64.13 H new ATOM 982 N ASP A 66 3.247 -10.429 -8.368 1.00 50.32 N ATOM 983 CA ASP A 66 4.680 -10.639 -8.545 1.00 11.13 C ATOM 984 C ASP A 66 5.239 -11.529 -7.439 1.00 30.31 C ATOM 985 O ASP A 66 5.868 -12.552 -7.710 1.00 62.42 O ATOM 986 CB ASP A 66 5.415 -9.299 -8.560 1.00 0.31 C ATOM 987 CG ASP A 66 4.811 -8.318 -9.544 1.00 53.24 C ATOM 988 OD1 ASP A 66 4.222 -8.770 -10.548 1.00 71.51 O ATOM 989 OD2 ASP A 66 4.927 -7.097 -9.311 1.00 53.34 O ATOM 0 H ASP A 66 2.985 -9.467 -8.154 1.00 50.32 H new ATOM 0 HA ASP A 66 4.834 -11.139 -9.501 1.00 11.13 H new ATOM 0 HB2 ASP A 66 5.394 -8.865 -7.560 1.00 0.31 H new ATOM 0 HB3 ASP A 66 6.462 -9.465 -8.814 1.00 0.31 H new ATOM 994 N LEU A 67 5.006 -11.132 -6.194 1.00 4.51 N ATOM 995 CA LEU A 67 5.488 -11.893 -5.045 1.00 52.21 C ATOM 996 C LEU A 67 4.972 -13.327 -5.088 1.00 61.20 C ATOM 997 O LEU A 67 5.732 -14.275 -4.887 1.00 72.30 O ATOM 998 CB LEU A 67 5.049 -11.221 -3.743 1.00 52.24 C ATOM 999 CG LEU A 67 6.054 -10.251 -3.117 1.00 33.41 C ATOM 1000 CD1 LEU A 67 5.619 -8.811 -3.342 1.00 34.44 C ATOM 1001 CD2 LEU A 67 6.213 -10.536 -1.630 1.00 65.34 C ATOM 0 H LEU A 67 4.487 -10.288 -5.953 1.00 4.51 H new ATOM 0 HA LEU A 67 6.577 -11.916 -5.086 1.00 52.21 H new ATOM 0 HB2 LEU A 67 4.121 -10.681 -3.931 1.00 52.24 H new ATOM 0 HB3 LEU A 67 4.823 -11.999 -3.014 1.00 52.24 H new ATOM 0 HG LEU A 67 7.020 -10.396 -3.601 1.00 33.41 H new ATOM 0 HD11 LEU A 67 6.346 -8.136 -2.890 1.00 34.44 H new ATOM 0 HD12 LEU A 67 5.557 -8.613 -4.412 1.00 34.44 H new ATOM 0 HD13 LEU A 67 4.642 -8.650 -2.886 1.00 34.44 H new ATOM 0 HD21 LEU A 67 6.931 -9.837 -1.200 1.00 65.34 H new ATOM 0 HD22 LEU A 67 5.250 -10.419 -1.132 1.00 65.34 H new ATOM 0 HD23 LEU A 67 6.572 -11.556 -1.491 1.00 65.34 H new ATOM 1013 N GLN A 68 3.679 -13.479 -5.354 1.00 30.33 N ATOM 1014 CA GLN A 68 3.063 -14.799 -5.424 1.00 65.15 C ATOM 1015 C GLN A 68 3.728 -15.652 -6.500 1.00 35.41 C ATOM 1016 O GLN A 68 3.976 -16.841 -6.297 1.00 53.32 O ATOM 1017 CB GLN A 68 1.566 -14.672 -5.710 1.00 44.23 C ATOM 1018 CG GLN A 68 0.699 -14.771 -4.466 1.00 4.31 C ATOM 1019 CD GLN A 68 -0.452 -15.743 -4.632 1.00 20.13 C ATOM 1020 OE1 GLN A 68 -0.560 -16.727 -3.901 1.00 24.52 O ATOM 1021 NE2 GLN A 68 -1.321 -15.470 -5.598 1.00 33.45 N ATOM 0 H GLN A 68 3.037 -12.705 -5.525 1.00 30.33 H new ATOM 0 HA GLN A 68 3.201 -15.289 -4.460 1.00 65.15 H new ATOM 0 HB2 GLN A 68 1.378 -13.716 -6.199 1.00 44.23 H new ATOM 0 HB3 GLN A 68 1.271 -15.452 -6.411 1.00 44.23 H new ATOM 0 HG2 GLN A 68 1.315 -15.084 -3.623 1.00 4.31 H new ATOM 0 HG3 GLN A 68 0.304 -13.784 -4.224 1.00 4.31 H new ATOM 0 HE21 GLN A 68 -1.193 -14.643 -6.181 1.00 33.45 H new ATOM 0 HE22 GLN A 68 -2.117 -16.088 -5.757 1.00 33.45 H new ATOM 1030 N GLU A 69 4.012 -15.037 -7.644 1.00 25.53 N ATOM 1031 CA GLU A 69 4.647 -15.743 -8.752 1.00 4.34 C ATOM 1032 C GLU A 69 5.976 -16.354 -8.318 1.00 22.11 C ATOM 1033 O GLU A 69 6.255 -17.521 -8.596 1.00 42.02 O ATOM 1034 CB GLU A 69 4.871 -14.792 -9.928 1.00 74.05 C ATOM 1035 CG GLU A 69 3.867 -14.969 -11.056 1.00 5.04 C ATOM 1036 CD GLU A 69 4.372 -14.429 -12.378 1.00 50.25 C ATOM 1037 OE1 GLU A 69 3.641 -14.546 -13.385 1.00 2.12 O ATOM 1038 OE2 GLU A 69 5.497 -13.889 -12.409 1.00 44.34 O ATOM 0 H GLU A 69 3.813 -14.054 -7.828 1.00 25.53 H new ATOM 0 HA GLU A 69 3.982 -16.548 -9.065 1.00 4.34 H new ATOM 0 HB2 GLU A 69 4.822 -13.765 -9.568 1.00 74.05 H new ATOM 0 HB3 GLU A 69 5.876 -14.944 -10.321 1.00 74.05 H new ATOM 0 HG2 GLU A 69 3.633 -16.028 -11.166 1.00 5.04 H new ATOM 0 HG3 GLU A 69 2.938 -14.463 -10.793 1.00 5.04 H new ATOM 1045 N ARG A 70 6.792 -15.558 -7.634 1.00 35.00 N ATOM 1046 CA ARG A 70 8.092 -16.019 -7.163 1.00 73.43 C ATOM 1047 C ARG A 70 7.932 -17.053 -6.053 1.00 25.12 C ATOM 1048 O ARG A 70 8.444 -18.169 -6.151 1.00 42.41 O ATOM 1049 CB ARG A 70 8.924 -14.839 -6.659 1.00 74.25 C ATOM 1050 CG ARG A 70 9.935 -14.329 -7.674 1.00 22.12 C ATOM 1051 CD ARG A 70 11.240 -15.106 -7.597 1.00 64.44 C ATOM 1052 NE ARG A 70 12.404 -14.223 -7.594 1.00 14.11 N ATOM 1053 CZ ARG A 70 12.807 -13.536 -8.656 1.00 52.45 C ATOM 1054 NH1 ARG A 70 12.145 -13.628 -9.802 1.00 5.24 N ATOM 1055 NH2 ARG A 70 13.875 -12.752 -8.575 1.00 21.42 N ATOM 0 H ARG A 70 6.575 -14.591 -7.394 1.00 35.00 H new ATOM 0 HA ARG A 70 8.609 -16.487 -8.001 1.00 73.43 H new ATOM 0 HB2 ARG A 70 8.254 -14.024 -6.385 1.00 74.25 H new ATOM 0 HB3 ARG A 70 9.451 -15.137 -5.753 1.00 74.25 H new ATOM 0 HG2 ARG A 70 9.519 -14.413 -8.678 1.00 22.12 H new ATOM 0 HG3 ARG A 70 10.129 -13.271 -7.497 1.00 22.12 H new ATOM 0 HD2 ARG A 70 11.246 -15.716 -6.694 1.00 64.44 H new ATOM 0 HD3 ARG A 70 11.306 -15.789 -8.444 1.00 64.44 H new ATOM 0 HE ARG A 70 12.936 -14.129 -6.729 1.00 14.11 H new ATOM 0 HH11 ARG A 70 11.323 -14.228 -9.869 1.00 5.24 H new ATOM 0 HH12 ARG A 70 12.458 -13.098 -10.616 1.00 5.24 H new ATOM 0 HH21 ARG A 70 14.387 -12.677 -7.696 1.00 21.42 H new ATOM 0 HH22 ARG A 70 14.184 -12.225 -9.392 1.00 21.42 H new ATOM 1069 N ARG A 71 7.219 -16.675 -4.997 1.00 2.23 N ATOM 1070 CA ARG A 71 6.993 -17.568 -3.867 1.00 11.01 C ATOM 1071 C ARG A 71 6.380 -18.886 -4.331 1.00 64.52 C ATOM 1072 O ARG A 71 6.554 -19.922 -3.688 1.00 20.11 O ATOM 1073 CB ARG A 71 6.077 -16.903 -2.838 1.00 43.22 C ATOM 1074 CG ARG A 71 5.882 -17.725 -1.575 1.00 11.12 C ATOM 1075 CD ARG A 71 7.211 -18.058 -0.915 1.00 52.34 C ATOM 1076 NE ARG A 71 7.643 -19.421 -1.211 1.00 21.13 N ATOM 1077 CZ ARG A 71 8.806 -19.926 -0.816 1.00 52.13 C ATOM 1078 NH1 ARG A 71 9.649 -19.184 -0.113 1.00 64.12 N ATOM 1079 NH2 ARG A 71 9.127 -21.176 -1.124 1.00 75.24 N ATOM 0 H ARG A 71 6.788 -15.756 -4.900 1.00 2.23 H new ATOM 0 HA ARG A 71 7.957 -17.777 -3.403 1.00 11.01 H new ATOM 0 HB2 ARG A 71 6.492 -15.932 -2.569 1.00 43.22 H new ATOM 0 HB3 ARG A 71 5.105 -16.719 -3.295 1.00 43.22 H new ATOM 0 HG2 ARG A 71 5.255 -17.174 -0.874 1.00 11.12 H new ATOM 0 HG3 ARG A 71 5.354 -18.647 -1.818 1.00 11.12 H new ATOM 0 HD2 ARG A 71 7.971 -17.355 -1.256 1.00 52.34 H new ATOM 0 HD3 ARG A 71 7.121 -17.932 0.164 1.00 52.34 H new ATOM 0 HE ARG A 71 7.017 -20.018 -1.751 1.00 21.13 H new ATOM 0 HH11 ARG A 71 9.405 -18.223 0.126 1.00 64.12 H new ATOM 0 HH12 ARG A 71 10.542 -19.574 0.189 1.00 64.12 H new ATOM 0 HH21 ARG A 71 8.480 -21.750 -1.665 1.00 75.24 H new ATOM 0 HH22 ARG A 71 10.021 -21.563 -0.820 1.00 75.24 H new ATOM 1093 N GLU A 72 5.663 -18.840 -5.450 1.00 2.33 N ATOM 1094 CA GLU A 72 5.024 -20.030 -5.997 1.00 44.12 C ATOM 1095 C GLU A 72 6.059 -20.972 -6.605 1.00 71.43 C ATOM 1096 O GLU A 72 6.143 -22.144 -6.235 1.00 43.51 O ATOM 1097 CB GLU A 72 3.989 -19.640 -7.054 1.00 64.25 C ATOM 1098 CG GLU A 72 3.307 -20.830 -7.707 1.00 62.53 C ATOM 1099 CD GLU A 72 2.230 -20.418 -8.690 1.00 72.43 C ATOM 1100 OE1 GLU A 72 1.464 -19.483 -8.374 1.00 65.41 O ATOM 1101 OE2 GLU A 72 2.152 -21.030 -9.777 1.00 15.33 O ATOM 0 H GLU A 72 5.511 -17.991 -5.995 1.00 2.33 H new ATOM 0 HA GLU A 72 4.521 -20.549 -5.181 1.00 44.12 H new ATOM 0 HB2 GLU A 72 3.232 -19.006 -6.592 1.00 64.25 H new ATOM 0 HB3 GLU A 72 4.477 -19.043 -7.825 1.00 64.25 H new ATOM 0 HG2 GLU A 72 4.054 -21.433 -8.224 1.00 62.53 H new ATOM 0 HG3 GLU A 72 2.867 -21.460 -6.935 1.00 62.53 H new ATOM 1108 N LYS A 73 6.845 -20.452 -7.542 1.00 22.32 N ATOM 1109 CA LYS A 73 7.875 -21.245 -8.203 1.00 43.42 C ATOM 1110 C LYS A 73 8.785 -21.916 -7.179 1.00 41.21 C ATOM 1111 O LYS A 73 9.267 -23.028 -7.397 1.00 3.35 O ATOM 1112 CB LYS A 73 8.706 -20.361 -9.137 1.00 25.24 C ATOM 1113 CG LYS A 73 8.476 -20.650 -10.611 1.00 0.14 C ATOM 1114 CD LYS A 73 8.563 -19.384 -11.447 1.00 20.24 C ATOM 1115 CE LYS A 73 7.322 -19.197 -12.306 1.00 11.31 C ATOM 1116 NZ LYS A 73 7.662 -18.715 -13.673 1.00 14.51 N ATOM 0 H LYS A 73 6.788 -19.485 -7.861 1.00 22.32 H new ATOM 0 HA LYS A 73 7.382 -22.021 -8.789 1.00 43.42 H new ATOM 0 HB2 LYS A 73 8.470 -19.315 -8.939 1.00 25.24 H new ATOM 0 HB3 LYS A 73 9.763 -20.498 -8.909 1.00 25.24 H new ATOM 0 HG2 LYS A 73 9.215 -21.370 -10.961 1.00 0.14 H new ATOM 0 HG3 LYS A 73 7.496 -21.109 -10.744 1.00 0.14 H new ATOM 0 HD2 LYS A 73 8.686 -18.522 -10.792 1.00 20.24 H new ATOM 0 HD3 LYS A 73 9.445 -19.428 -12.085 1.00 20.24 H new ATOM 0 HE2 LYS A 73 6.784 -20.142 -12.377 1.00 11.31 H new ATOM 0 HE3 LYS A 73 6.652 -18.484 -11.826 1.00 11.31 H new ATOM 0 HZ1 LYS A 73 6.790 -18.600 -14.227 1.00 14.51 H new ATOM 0 HZ2 LYS A 73 8.153 -17.801 -13.607 1.00 14.51 H new ATOM 0 HZ3 LYS A 73 8.281 -19.407 -14.141 1.00 14.51 H new ATOM 1130 N PHE A 74 9.016 -21.235 -6.061 1.00 74.34 N ATOM 1131 CA PHE A 74 9.868 -21.766 -5.003 1.00 54.45 C ATOM 1132 C PHE A 74 9.065 -22.644 -4.049 1.00 31.13 C ATOM 1133 O PHE A 74 9.609 -23.543 -3.409 1.00 31.04 O ATOM 1134 CB PHE A 74 10.529 -20.623 -4.230 1.00 60.01 C ATOM 1135 CG PHE A 74 11.808 -20.139 -4.853 1.00 14.10 C ATOM 1136 CD1 PHE A 74 11.816 -19.628 -6.141 1.00 4.24 C ATOM 1137 CD2 PHE A 74 13.000 -20.195 -4.151 1.00 64.00 C ATOM 1138 CE1 PHE A 74 12.991 -19.180 -6.716 1.00 73.50 C ATOM 1139 CE2 PHE A 74 14.177 -19.749 -4.721 1.00 65.00 C ATOM 1140 CZ PHE A 74 14.173 -19.243 -6.006 1.00 2.42 C ATOM 0 H PHE A 74 8.625 -20.314 -5.864 1.00 74.34 H new ATOM 0 HA PHE A 74 10.643 -22.377 -5.466 1.00 54.45 H new ATOM 0 HB2 PHE A 74 9.830 -19.790 -4.161 1.00 60.01 H new ATOM 0 HB3 PHE A 74 10.733 -20.954 -3.212 1.00 60.01 H new ATOM 0 HD1 PHE A 74 10.894 -19.579 -6.702 1.00 4.24 H new ATOM 0 HD2 PHE A 74 13.010 -20.592 -3.147 1.00 64.00 H new ATOM 0 HE1 PHE A 74 12.984 -18.781 -7.720 1.00 73.50 H new ATOM 0 HE2 PHE A 74 15.100 -19.796 -4.162 1.00 65.00 H new ATOM 0 HZ PHE A 74 15.093 -18.897 -6.454 1.00 2.42 H new ATOM 1150 N GLY A 75 7.766 -22.375 -3.958 1.00 32.23 N ATOM 1151 CA GLY A 75 6.908 -23.149 -3.078 1.00 42.21 C ATOM 1152 C GLY A 75 5.925 -22.281 -2.318 1.00 40.10 C ATOM 1153 O GLY A 75 4.921 -21.837 -2.874 1.00 4.52 O ATOM 0 H GLY A 75 7.292 -21.636 -4.477 1.00 32.23 H new ATOM 0 HA2 GLY A 75 6.359 -23.885 -3.665 1.00 42.21 H new ATOM 0 HA3 GLY A 75 7.524 -23.702 -2.369 1.00 42.21 H new ATOM 1157 N SER A 76 6.213 -22.041 -1.042 1.00 21.31 N ATOM 1158 CA SER A 76 5.343 -21.226 -0.202 1.00 73.15 C ATOM 1159 C SER A 76 6.006 -20.929 1.138 1.00 4.33 C ATOM 1160 O SER A 76 6.755 -21.750 1.669 1.00 22.21 O ATOM 1161 CB SER A 76 4.006 -21.935 0.022 1.00 62.01 C ATOM 1162 OG SER A 76 4.066 -22.792 1.149 1.00 63.32 O ATOM 0 H SER A 76 7.042 -22.399 -0.568 1.00 21.31 H new ATOM 0 HA SER A 76 5.163 -20.281 -0.715 1.00 73.15 H new ATOM 0 HB2 SER A 76 3.218 -21.196 0.165 1.00 62.01 H new ATOM 0 HB3 SER A 76 3.744 -22.513 -0.865 1.00 62.01 H new ATOM 0 HG SER A 76 3.199 -23.232 1.272 1.00 63.32 H new ATOM 1168 N SER A 77 5.726 -19.749 1.682 1.00 11.12 N ATOM 1169 CA SER A 77 6.297 -19.341 2.960 1.00 11.31 C ATOM 1170 C SER A 77 5.341 -18.422 3.714 1.00 14.53 C ATOM 1171 O SER A 77 4.836 -17.444 3.163 1.00 12.52 O ATOM 1172 CB SER A 77 7.636 -18.633 2.741 1.00 22.02 C ATOM 1173 OG SER A 77 7.504 -17.231 2.900 1.00 1.55 O ATOM 0 H SER A 77 5.107 -19.059 1.257 1.00 11.12 H new ATOM 0 HA SER A 77 6.461 -20.237 3.559 1.00 11.31 H new ATOM 0 HB2 SER A 77 8.373 -19.015 3.448 1.00 22.02 H new ATOM 0 HB3 SER A 77 8.009 -18.855 1.741 1.00 22.02 H new ATOM 0 HG SER A 77 8.088 -16.928 3.626 1.00 1.55 H new ATOM 1179 N LYS A 78 5.095 -18.744 4.980 1.00 71.11 N ATOM 1180 CA LYS A 78 4.200 -17.949 5.812 1.00 4.23 C ATOM 1181 C LYS A 78 4.674 -16.501 5.892 1.00 24.50 C ATOM 1182 O LYS A 78 3.868 -15.573 5.856 1.00 73.22 O ATOM 1183 CB LYS A 78 4.114 -18.547 7.218 1.00 3.31 C ATOM 1184 CG LYS A 78 2.742 -19.103 7.560 1.00 50.35 C ATOM 1185 CD LYS A 78 2.676 -20.603 7.329 1.00 75.12 C ATOM 1186 CE LYS A 78 1.244 -21.113 7.384 1.00 3.12 C ATOM 1187 NZ LYS A 78 0.554 -20.691 8.635 1.00 22.42 N ATOM 0 H LYS A 78 5.503 -19.551 5.452 1.00 71.11 H new ATOM 0 HA LYS A 78 3.210 -17.964 5.356 1.00 4.23 H new ATOM 0 HB2 LYS A 78 4.853 -19.343 7.311 1.00 3.31 H new ATOM 0 HB3 LYS A 78 4.378 -17.780 7.947 1.00 3.31 H new ATOM 0 HG2 LYS A 78 2.509 -18.884 8.602 1.00 50.35 H new ATOM 0 HG3 LYS A 78 1.985 -18.607 6.953 1.00 50.35 H new ATOM 0 HD2 LYS A 78 3.112 -20.842 6.359 1.00 75.12 H new ATOM 0 HD3 LYS A 78 3.275 -21.115 8.082 1.00 75.12 H new ATOM 0 HE2 LYS A 78 0.692 -20.740 6.521 1.00 3.12 H new ATOM 0 HE3 LYS A 78 1.243 -22.201 7.318 1.00 3.12 H new ATOM 0 HZ1 LYS A 78 -0.345 -21.205 8.726 1.00 22.42 H new ATOM 0 HZ2 LYS A 78 1.159 -20.904 9.454 1.00 22.42 H new ATOM 0 HZ3 LYS A 78 0.366 -19.669 8.600 1.00 22.42 H new ATOM 1201 N GLU A 79 5.987 -16.318 6.000 1.00 31.14 N ATOM 1202 CA GLU A 79 6.566 -14.982 6.084 1.00 73.35 C ATOM 1203 C GLU A 79 6.160 -14.137 4.880 1.00 11.43 C ATOM 1204 O GLU A 79 5.509 -13.102 5.028 1.00 50.34 O ATOM 1205 CB GLU A 79 8.091 -15.068 6.168 1.00 24.20 C ATOM 1206 CG GLU A 79 8.617 -15.168 7.591 1.00 22.41 C ATOM 1207 CD GLU A 79 10.044 -14.671 7.721 1.00 32.20 C ATOM 1208 OE1 GLU A 79 10.520 -14.532 8.867 1.00 40.34 O ATOM 1209 OE2 GLU A 79 10.684 -14.421 6.678 1.00 21.43 O ATOM 0 H GLU A 79 6.668 -17.077 6.031 1.00 31.14 H new ATOM 0 HA GLU A 79 6.185 -14.505 6.987 1.00 73.35 H new ATOM 0 HB2 GLU A 79 8.429 -15.936 5.603 1.00 24.20 H new ATOM 0 HB3 GLU A 79 8.523 -14.189 5.691 1.00 24.20 H new ATOM 0 HG2 GLU A 79 7.973 -14.590 8.254 1.00 22.41 H new ATOM 0 HG3 GLU A 79 8.566 -16.205 7.921 1.00 22.41 H new ATOM 1216 N ILE A 80 6.549 -14.585 3.692 1.00 54.52 N ATOM 1217 CA ILE A 80 6.225 -13.869 2.463 1.00 30.01 C ATOM 1218 C ILE A 80 4.716 -13.767 2.269 1.00 54.45 C ATOM 1219 O ILE A 80 4.179 -12.679 2.057 1.00 44.54 O ATOM 1220 CB ILE A 80 6.845 -14.556 1.231 1.00 3.53 C ATOM 1221 CG1 ILE A 80 8.365 -14.644 1.381 1.00 3.22 C ATOM 1222 CG2 ILE A 80 6.475 -13.803 -0.037 1.00 55.12 C ATOM 1223 CD1 ILE A 80 9.041 -15.392 0.253 1.00 31.02 C ATOM 0 H ILE A 80 7.088 -15.439 3.553 1.00 54.52 H new ATOM 0 HA ILE A 80 6.645 -12.868 2.560 1.00 30.01 H new ATOM 0 HB ILE A 80 6.447 -15.568 1.158 1.00 3.53 H new ATOM 0 HG12 ILE A 80 8.776 -13.636 1.435 1.00 3.22 H new ATOM 0 HG13 ILE A 80 8.601 -15.135 2.325 1.00 3.22 H new ATOM 0 HG21 ILE A 80 6.920 -14.300 -0.899 1.00 55.12 H new ATOM 0 HG22 ILE A 80 5.391 -13.787 -0.147 1.00 55.12 H new ATOM 0 HG23 ILE A 80 6.848 -12.781 0.025 1.00 55.12 H new ATOM 0 HD11 ILE A 80 10.117 -15.415 0.425 1.00 31.02 H new ATOM 0 HD12 ILE A 80 8.658 -16.412 0.212 1.00 31.02 H new ATOM 0 HD13 ILE A 80 8.836 -14.889 -0.692 1.00 31.02 H new ATOM 1235 N ASP A 81 4.037 -14.906 2.343 1.00 53.32 N ATOM 1236 CA ASP A 81 2.589 -14.944 2.178 1.00 33.24 C ATOM 1237 C ASP A 81 1.909 -13.939 3.102 1.00 5.14 C ATOM 1238 O ASP A 81 0.922 -13.306 2.729 1.00 32.02 O ATOM 1239 CB ASP A 81 2.059 -16.352 2.458 1.00 60.31 C ATOM 1240 CG ASP A 81 0.548 -16.431 2.367 1.00 50.02 C ATOM 1241 OD1 ASP A 81 0.019 -16.398 1.236 1.00 11.33 O ATOM 1242 OD2 ASP A 81 -0.105 -16.526 3.427 1.00 50.21 O ATOM 0 H ASP A 81 4.466 -15.815 2.516 1.00 53.32 H new ATOM 0 HA ASP A 81 2.359 -14.675 1.147 1.00 33.24 H new ATOM 0 HB2 ASP A 81 2.500 -17.051 1.747 1.00 60.31 H new ATOM 0 HB3 ASP A 81 2.377 -16.666 3.452 1.00 60.31 H new ATOM 1247 N MET A 82 2.445 -13.798 4.310 1.00 11.42 N ATOM 1248 CA MET A 82 1.890 -12.869 5.289 1.00 72.33 C ATOM 1249 C MET A 82 1.987 -11.431 4.788 1.00 21.33 C ATOM 1250 O MET A 82 0.986 -10.719 4.719 1.00 30.22 O ATOM 1251 CB MET A 82 2.619 -13.007 6.626 1.00 74.13 C ATOM 1252 CG MET A 82 1.975 -14.010 7.569 1.00 40.54 C ATOM 1253 SD MET A 82 3.041 -14.441 8.958 1.00 23.04 S ATOM 1254 CE MET A 82 2.787 -13.029 10.030 1.00 4.22 C ATOM 0 H MET A 82 3.262 -14.315 4.635 1.00 11.42 H new ATOM 0 HA MET A 82 0.838 -13.115 5.432 1.00 72.33 H new ATOM 0 HB2 MET A 82 3.650 -13.307 6.439 1.00 74.13 H new ATOM 0 HB3 MET A 82 2.654 -12.033 7.114 1.00 74.13 H new ATOM 0 HG2 MET A 82 1.040 -13.598 7.948 1.00 40.54 H new ATOM 0 HG3 MET A 82 1.723 -14.914 7.015 1.00 40.54 H new ATOM 0 HE1 MET A 82 3.382 -13.148 10.936 1.00 4.22 H new ATOM 0 HE2 MET A 82 3.092 -12.120 9.512 1.00 4.22 H new ATOM 0 HE3 MET A 82 1.732 -12.959 10.296 1.00 4.22 H new ATOM 1264 N ALA A 83 3.199 -11.011 4.443 1.00 52.12 N ATOM 1265 CA ALA A 83 3.426 -9.658 3.948 1.00 75.03 C ATOM 1266 C ALA A 83 2.477 -9.326 2.802 1.00 73.00 C ATOM 1267 O ALA A 83 1.994 -8.199 2.691 1.00 51.32 O ATOM 1268 CB ALA A 83 4.872 -9.495 3.502 1.00 54.01 C ATOM 0 H ALA A 83 4.039 -11.587 4.497 1.00 52.12 H new ATOM 0 HA ALA A 83 3.227 -8.962 4.763 1.00 75.03 H new ATOM 0 HB1 ALA A 83 5.027 -8.481 3.135 1.00 54.01 H new ATOM 0 HB2 ALA A 83 5.536 -9.681 4.346 1.00 54.01 H new ATOM 0 HB3 ALA A 83 5.089 -10.206 2.705 1.00 54.01 H new ATOM 1274 N ILE A 84 2.213 -10.314 1.953 1.00 41.31 N ATOM 1275 CA ILE A 84 1.322 -10.126 0.816 1.00 14.52 C ATOM 1276 C ILE A 84 -0.090 -9.776 1.276 1.00 23.01 C ATOM 1277 O ILE A 84 -0.659 -8.767 0.860 1.00 55.03 O ATOM 1278 CB ILE A 84 1.263 -11.384 -0.070 1.00 25.14 C ATOM 1279 CG1 ILE A 84 2.660 -11.738 -0.584 1.00 53.21 C ATOM 1280 CG2 ILE A 84 0.303 -11.172 -1.230 1.00 33.55 C ATOM 1281 CD1 ILE A 84 2.790 -13.173 -1.042 1.00 22.10 C ATOM 0 H ILE A 84 2.604 -11.253 2.032 1.00 41.31 H new ATOM 0 HA ILE A 84 1.728 -9.300 0.232 1.00 14.52 H new ATOM 0 HB ILE A 84 0.896 -12.216 0.531 1.00 25.14 H new ATOM 0 HG12 ILE A 84 2.912 -11.076 -1.413 1.00 53.21 H new ATOM 0 HG13 ILE A 84 3.387 -11.550 0.206 1.00 53.21 H new ATOM 0 HG21 ILE A 84 0.273 -12.070 -1.846 1.00 33.55 H new ATOM 0 HG22 ILE A 84 -0.695 -10.964 -0.843 1.00 33.55 H new ATOM 0 HG23 ILE A 84 0.641 -10.329 -1.833 1.00 33.55 H new ATOM 0 HD11 ILE A 84 3.806 -13.352 -1.393 1.00 22.10 H new ATOM 0 HD12 ILE A 84 2.570 -13.842 -0.210 1.00 22.10 H new ATOM 0 HD13 ILE A 84 2.087 -13.361 -1.854 1.00 22.10 H new ATOM 1293 N VAL A 85 -0.649 -10.617 2.140 1.00 3.53 N ATOM 1294 CA VAL A 85 -1.993 -10.395 2.661 1.00 34.44 C ATOM 1295 C VAL A 85 -2.109 -9.026 3.321 1.00 24.53 C ATOM 1296 O VAL A 85 -3.179 -8.416 3.330 1.00 62.45 O ATOM 1297 CB VAL A 85 -2.385 -11.481 3.682 1.00 52.40 C ATOM 1298 CG1 VAL A 85 -3.844 -11.331 4.086 1.00 22.34 C ATOM 1299 CG2 VAL A 85 -2.120 -12.866 3.115 1.00 71.34 C ATOM 0 H VAL A 85 -0.193 -11.458 2.494 1.00 3.53 H new ATOM 0 HA VAL A 85 -2.674 -10.443 1.811 1.00 34.44 H new ATOM 0 HB VAL A 85 -1.771 -11.356 4.574 1.00 52.40 H new ATOM 0 HG11 VAL A 85 -4.103 -12.106 4.807 1.00 22.34 H new ATOM 0 HG12 VAL A 85 -3.998 -10.350 4.536 1.00 22.34 H new ATOM 0 HG13 VAL A 85 -4.478 -11.429 3.204 1.00 22.34 H new ATOM 0 HG21 VAL A 85 -2.403 -13.620 3.850 1.00 71.34 H new ATOM 0 HG22 VAL A 85 -2.707 -13.006 2.207 1.00 71.34 H new ATOM 0 HG23 VAL A 85 -1.060 -12.967 2.881 1.00 71.34 H new ATOM 1309 N THR A 86 -0.999 -8.547 3.875 1.00 22.25 N ATOM 1310 CA THR A 86 -0.975 -7.250 4.539 1.00 61.30 C ATOM 1311 C THR A 86 -1.099 -6.114 3.531 1.00 74.03 C ATOM 1312 O THR A 86 -1.823 -5.143 3.760 1.00 62.44 O ATOM 1313 CB THR A 86 0.319 -7.059 5.353 1.00 61.44 C ATOM 1314 OG1 THR A 86 0.414 -8.067 6.366 1.00 53.44 O ATOM 1315 CG2 THR A 86 0.356 -5.681 5.995 1.00 4.10 C ATOM 0 H THR A 86 -0.105 -9.038 3.877 1.00 22.25 H new ATOM 0 HA THR A 86 -1.829 -7.226 5.216 1.00 61.30 H new ATOM 0 HB THR A 86 1.166 -7.148 4.673 1.00 61.44 H new ATOM 0 HG1 THR A 86 0.591 -8.936 5.948 1.00 53.44 H new ATOM 0 HG21 THR A 86 1.279 -5.570 6.564 1.00 4.10 H new ATOM 0 HG22 THR A 86 0.314 -4.917 5.219 1.00 4.10 H new ATOM 0 HG23 THR A 86 -0.498 -5.568 6.663 1.00 4.10 H new ATOM 1323 N LEU A 87 -0.392 -6.240 2.414 1.00 74.41 N ATOM 1324 CA LEU A 87 -0.424 -5.223 1.368 1.00 0.01 C ATOM 1325 C LEU A 87 -1.797 -5.166 0.705 1.00 2.24 C ATOM 1326 O LEU A 87 -2.224 -4.116 0.227 1.00 11.32 O ATOM 1327 CB LEU A 87 0.650 -5.510 0.317 1.00 71.23 C ATOM 1328 CG LEU A 87 1.845 -4.557 0.301 1.00 73.04 C ATOM 1329 CD1 LEU A 87 2.817 -4.937 -0.805 1.00 13.30 C ATOM 1330 CD2 LEU A 87 1.377 -3.118 0.131 1.00 43.13 C ATOM 0 H LEU A 87 0.211 -7.037 2.209 1.00 74.41 H new ATOM 0 HA LEU A 87 -0.223 -4.256 1.830 1.00 0.01 H new ATOM 0 HB2 LEU A 87 1.021 -6.523 0.473 1.00 71.23 H new ATOM 0 HB3 LEU A 87 0.182 -5.490 -0.667 1.00 71.23 H new ATOM 0 HG LEU A 87 2.364 -4.640 1.256 1.00 73.04 H new ATOM 0 HD11 LEU A 87 3.661 -4.247 -0.801 1.00 13.30 H new ATOM 0 HD12 LEU A 87 3.177 -5.952 -0.640 1.00 13.30 H new ATOM 0 HD13 LEU A 87 2.310 -4.884 -1.769 1.00 13.30 H new ATOM 0 HD21 LEU A 87 2.241 -2.453 0.122 1.00 43.13 H new ATOM 0 HD22 LEU A 87 0.834 -3.021 -0.809 1.00 43.13 H new ATOM 0 HD23 LEU A 87 0.721 -2.849 0.959 1.00 43.13 H new ATOM 1342 N LYS A 88 -2.486 -6.303 0.684 1.00 3.11 N ATOM 1343 CA LYS A 88 -3.812 -6.383 0.085 1.00 53.43 C ATOM 1344 C LYS A 88 -4.841 -5.652 0.942 1.00 34.41 C ATOM 1345 O LYS A 88 -5.497 -4.718 0.480 1.00 10.45 O ATOM 1346 CB LYS A 88 -4.226 -7.845 -0.093 1.00 35.12 C ATOM 1347 CG LYS A 88 -4.701 -8.176 -1.497 1.00 15.22 C ATOM 1348 CD LYS A 88 -4.190 -9.532 -1.954 1.00 11.34 C ATOM 1349 CE LYS A 88 -4.800 -9.938 -3.287 1.00 52.21 C ATOM 1350 NZ LYS A 88 -4.223 -11.213 -3.795 1.00 70.45 N ATOM 0 H LYS A 88 -2.147 -7.182 1.075 1.00 3.11 H new ATOM 0 HA LYS A 88 -3.772 -5.902 -0.892 1.00 53.43 H new ATOM 0 HB2 LYS A 88 -3.380 -8.486 0.156 1.00 35.12 H new ATOM 0 HB3 LYS A 88 -5.022 -8.077 0.615 1.00 35.12 H new ATOM 0 HG2 LYS A 88 -5.791 -8.169 -1.524 1.00 15.22 H new ATOM 0 HG3 LYS A 88 -4.360 -7.406 -2.189 1.00 15.22 H new ATOM 0 HD2 LYS A 88 -3.104 -9.501 -2.044 1.00 11.34 H new ATOM 0 HD3 LYS A 88 -4.426 -10.284 -1.201 1.00 11.34 H new ATOM 0 HE2 LYS A 88 -5.879 -10.047 -3.175 1.00 52.21 H new ATOM 0 HE3 LYS A 88 -4.634 -9.147 -4.018 1.00 52.21 H new ATOM 0 HZ1 LYS A 88 -3.803 -11.055 -4.733 1.00 70.45 H new ATOM 0 HZ2 LYS A 88 -3.489 -11.547 -3.139 1.00 70.45 H new ATOM 0 HZ3 LYS A 88 -4.974 -11.929 -3.868 1.00 70.45 H new ATOM 1364 N VAL A 89 -4.977 -6.083 2.192 1.00 12.03 N ATOM 1365 CA VAL A 89 -5.925 -5.468 3.113 1.00 22.14 C ATOM 1366 C VAL A 89 -5.723 -3.959 3.184 1.00 70.14 C ATOM 1367 O VAL A 89 -6.687 -3.193 3.186 1.00 62.12 O ATOM 1368 CB VAL A 89 -5.794 -6.059 4.530 1.00 70.51 C ATOM 1369 CG1 VAL A 89 -4.352 -5.979 5.011 1.00 71.30 C ATOM 1370 CG2 VAL A 89 -6.726 -5.343 5.495 1.00 71.14 C ATOM 0 H VAL A 89 -4.443 -6.855 2.590 1.00 12.03 H new ATOM 0 HA VAL A 89 -6.923 -5.680 2.729 1.00 22.14 H new ATOM 0 HB VAL A 89 -6.083 -7.109 4.494 1.00 70.51 H new ATOM 0 HG11 VAL A 89 -4.279 -6.401 6.013 1.00 71.30 H new ATOM 0 HG12 VAL A 89 -3.710 -6.542 4.333 1.00 71.30 H new ATOM 0 HG13 VAL A 89 -4.033 -4.937 5.032 1.00 71.30 H new ATOM 0 HG21 VAL A 89 -6.620 -5.774 6.491 1.00 71.14 H new ATOM 0 HG22 VAL A 89 -6.471 -4.284 5.529 1.00 71.14 H new ATOM 0 HG23 VAL A 89 -7.756 -5.457 5.158 1.00 71.14 H new ATOM 1380 N PHE A 90 -4.464 -3.538 3.240 1.00 53.20 N ATOM 1381 CA PHE A 90 -4.135 -2.119 3.310 1.00 51.21 C ATOM 1382 C PHE A 90 -4.527 -1.405 2.020 1.00 21.15 C ATOM 1383 O PHE A 90 -4.982 -0.262 2.044 1.00 25.20 O ATOM 1384 CB PHE A 90 -2.639 -1.933 3.574 1.00 2.02 C ATOM 1385 CG PHE A 90 -2.171 -0.517 3.398 1.00 60.22 C ATOM 1386 CD1 PHE A 90 -1.739 -0.066 2.161 1.00 12.24 C ATOM 1387 CD2 PHE A 90 -2.161 0.362 4.468 1.00 4.40 C ATOM 1388 CE1 PHE A 90 -1.307 1.237 1.994 1.00 21.05 C ATOM 1389 CE2 PHE A 90 -1.731 1.665 4.308 1.00 60.24 C ATOM 1390 CZ PHE A 90 -1.303 2.103 3.070 1.00 65.41 C ATOM 0 H PHE A 90 -3.655 -4.159 3.238 1.00 53.20 H new ATOM 0 HA PHE A 90 -4.700 -1.681 4.133 1.00 51.21 H new ATOM 0 HB2 PHE A 90 -2.414 -2.258 4.590 1.00 2.02 H new ATOM 0 HB3 PHE A 90 -2.076 -2.580 2.901 1.00 2.02 H new ATOM 0 HD1 PHE A 90 -1.740 -0.740 1.317 1.00 12.24 H new ATOM 0 HD2 PHE A 90 -2.493 0.025 5.439 1.00 4.40 H new ATOM 0 HE1 PHE A 90 -0.974 1.577 1.025 1.00 21.05 H new ATOM 0 HE2 PHE A 90 -1.729 2.341 5.150 1.00 60.24 H new ATOM 0 HZ PHE A 90 -0.966 3.121 2.943 1.00 65.41 H new ATOM 1400 N ALA A 91 -4.347 -2.088 0.895 1.00 71.54 N ATOM 1401 CA ALA A 91 -4.683 -1.521 -0.406 1.00 4.45 C ATOM 1402 C ALA A 91 -6.162 -1.156 -0.480 1.00 4.01 C ATOM 1403 O ALA A 91 -6.518 -0.036 -0.846 1.00 64.41 O ATOM 1404 CB ALA A 91 -4.322 -2.497 -1.516 1.00 44.13 C ATOM 0 H ALA A 91 -3.970 -3.035 0.858 1.00 71.54 H new ATOM 0 HA ALA A 91 -4.103 -0.607 -0.538 1.00 4.45 H new ATOM 0 HB1 ALA A 91 -4.578 -2.061 -2.482 1.00 44.13 H new ATOM 0 HB2 ALA A 91 -3.252 -2.705 -1.484 1.00 44.13 H new ATOM 0 HB3 ALA A 91 -4.876 -3.425 -1.379 1.00 44.13 H new ATOM 1410 N VAL A 92 -7.020 -2.110 -0.131 1.00 30.20 N ATOM 1411 CA VAL A 92 -8.461 -1.889 -0.158 1.00 42.44 C ATOM 1412 C VAL A 92 -8.902 -0.999 0.999 1.00 5.41 C ATOM 1413 O VAL A 92 -9.734 -0.108 0.828 1.00 3.12 O ATOM 1414 CB VAL A 92 -9.234 -3.219 -0.091 1.00 41.54 C ATOM 1415 CG1 VAL A 92 -8.875 -3.983 1.174 1.00 44.12 C ATOM 1416 CG2 VAL A 92 -10.732 -2.967 -0.165 1.00 11.34 C ATOM 0 H VAL A 92 -6.742 -3.043 0.174 1.00 30.20 H new ATOM 0 HA VAL A 92 -8.688 -1.393 -1.102 1.00 42.44 H new ATOM 0 HB VAL A 92 -8.948 -3.829 -0.948 1.00 41.54 H new ATOM 0 HG11 VAL A 92 -9.431 -4.920 1.203 1.00 44.12 H new ATOM 0 HG12 VAL A 92 -7.806 -4.195 1.180 1.00 44.12 H new ATOM 0 HG13 VAL A 92 -9.130 -3.382 2.047 1.00 44.12 H new ATOM 0 HG21 VAL A 92 -11.264 -3.917 -0.116 1.00 11.34 H new ATOM 0 HG22 VAL A 92 -11.037 -2.337 0.671 1.00 11.34 H new ATOM 0 HG23 VAL A 92 -10.971 -2.465 -1.103 1.00 11.34 H new ATOM 1426 N ALA A 93 -8.337 -1.245 2.177 1.00 63.12 N ATOM 1427 CA ALA A 93 -8.669 -0.465 3.362 1.00 11.34 C ATOM 1428 C ALA A 93 -8.145 0.963 3.244 1.00 10.35 C ATOM 1429 O ALA A 93 -8.503 1.833 4.037 1.00 15.31 O ATOM 1430 CB ALA A 93 -8.110 -1.133 4.608 1.00 23.05 C ATOM 0 H ALA A 93 -7.647 -1.979 2.335 1.00 63.12 H new ATOM 0 HA ALA A 93 -9.755 -0.420 3.444 1.00 11.34 H new ATOM 0 HB1 ALA A 93 -8.366 -0.539 5.485 1.00 23.05 H new ATOM 0 HB2 ALA A 93 -8.537 -2.131 4.708 1.00 23.05 H new ATOM 0 HB3 ALA A 93 -7.026 -1.209 4.525 1.00 23.05 H new ATOM 1436 N GLY A 94 -7.294 1.196 2.250 1.00 60.12 N ATOM 1437 CA GLY A 94 -6.734 2.519 2.048 1.00 30.44 C ATOM 1438 C GLY A 94 -7.258 3.185 0.791 1.00 42.11 C ATOM 1439 O GLY A 94 -7.973 4.185 0.861 1.00 33.13 O ATOM 0 H GLY A 94 -6.982 0.492 1.581 1.00 60.12 H new ATOM 0 HA2 GLY A 94 -6.966 3.144 2.910 1.00 30.44 H new ATOM 0 HA3 GLY A 94 -5.648 2.446 1.991 1.00 30.44 H new ATOM 1443 N LEU A 95 -6.900 2.631 -0.363 1.00 2.20 N ATOM 1444 CA LEU A 95 -7.338 3.179 -1.642 1.00 24.41 C ATOM 1445 C LEU A 95 -8.856 3.117 -1.771 1.00 21.14 C ATOM 1446 O LEU A 95 -9.464 3.919 -2.481 1.00 1.05 O ATOM 1447 CB LEU A 95 -6.685 2.415 -2.796 1.00 2.20 C ATOM 1448 CG LEU A 95 -5.192 2.666 -3.007 1.00 44.12 C ATOM 1449 CD1 LEU A 95 -4.900 4.158 -3.043 1.00 50.50 C ATOM 1450 CD2 LEU A 95 -4.377 1.987 -1.914 1.00 15.40 C ATOM 0 H LEU A 95 -6.308 1.804 -0.439 1.00 2.20 H new ATOM 0 HA LEU A 95 -7.031 4.224 -1.685 1.00 24.41 H new ATOM 0 HB2 LEU A 95 -6.834 1.348 -2.629 1.00 2.20 H new ATOM 0 HB3 LEU A 95 -7.210 2.670 -3.717 1.00 2.20 H new ATOM 0 HG LEU A 95 -4.904 2.238 -3.967 1.00 44.12 H new ATOM 0 HD11 LEU A 95 -3.832 4.316 -3.194 1.00 50.50 H new ATOM 0 HD12 LEU A 95 -5.454 4.618 -3.861 1.00 50.50 H new ATOM 0 HD13 LEU A 95 -5.204 4.611 -2.099 1.00 50.50 H new ATOM 0 HD21 LEU A 95 -3.316 2.176 -2.080 1.00 15.40 H new ATOM 0 HD22 LEU A 95 -4.669 2.385 -0.942 1.00 15.40 H new ATOM 0 HD23 LEU A 95 -4.562 0.913 -1.936 1.00 15.40 H new ATOM 1462 N LEU A 96 -9.464 2.159 -1.078 1.00 51.53 N ATOM 1463 CA LEU A 96 -10.914 1.993 -1.112 1.00 64.35 C ATOM 1464 C LEU A 96 -11.532 2.327 0.243 1.00 75.14 C ATOM 1465 O LEU A 96 -12.743 2.218 0.426 1.00 32.53 O ATOM 1466 CB LEU A 96 -11.272 0.560 -1.510 1.00 14.51 C ATOM 1467 CG LEU A 96 -12.321 0.414 -2.614 1.00 33.11 C ATOM 1468 CD1 LEU A 96 -11.802 -0.482 -3.728 1.00 5.31 C ATOM 1469 CD2 LEU A 96 -13.620 -0.138 -2.045 1.00 10.41 C ATOM 0 H LEU A 96 -8.976 1.486 -0.487 1.00 51.53 H new ATOM 0 HA LEU A 96 -11.318 2.682 -1.854 1.00 64.35 H new ATOM 0 HB2 LEU A 96 -10.361 0.055 -1.832 1.00 14.51 H new ATOM 0 HB3 LEU A 96 -11.630 0.036 -0.624 1.00 14.51 H new ATOM 0 HG LEU A 96 -12.521 1.401 -3.032 1.00 33.11 H new ATOM 0 HD11 LEU A 96 -12.562 -0.574 -4.504 1.00 5.31 H new ATOM 0 HD12 LEU A 96 -10.898 -0.046 -4.154 1.00 5.31 H new ATOM 0 HD13 LEU A 96 -11.574 -1.469 -3.325 1.00 5.31 H new ATOM 0 HD21 LEU A 96 -14.355 -0.235 -2.844 1.00 10.41 H new ATOM 0 HD22 LEU A 96 -13.436 -1.116 -1.600 1.00 10.41 H new ATOM 0 HD23 LEU A 96 -14.001 0.541 -1.283 1.00 10.41 H new ATOM 1481 N ASN A 97 -10.691 2.737 1.186 1.00 21.13 N ATOM 1482 CA ASN A 97 -11.155 3.089 2.523 1.00 34.23 C ATOM 1483 C ASN A 97 -12.031 1.983 3.103 1.00 32.11 C ATOM 1484 O ASN A 97 -12.939 2.245 3.892 1.00 41.35 O ATOM 1485 CB ASN A 97 -11.935 4.404 2.485 1.00 53.44 C ATOM 1486 CG ASN A 97 -11.026 5.611 2.346 1.00 75.23 C ATOM 1487 OD1 ASN A 97 -9.986 5.697 2.997 1.00 71.40 O ATOM 1488 ND2 ASN A 97 -11.417 6.551 1.492 1.00 10.24 N ATOM 0 H ASN A 97 -9.685 2.834 1.050 1.00 21.13 H new ATOM 0 HA ASN A 97 -10.281 3.211 3.163 1.00 34.23 H new ATOM 0 HB2 ASN A 97 -12.637 4.383 1.651 1.00 53.44 H new ATOM 0 HB3 ASN A 97 -12.525 4.500 3.396 1.00 53.44 H new ATOM 0 HD21 ASN A 97 -10.846 7.385 1.356 1.00 10.24 H new ATOM 0 HD22 ASN A 97 -12.288 6.438 0.973 1.00 10.24 H new ATOM 1495 N MET A 98 -11.752 0.745 2.707 1.00 13.11 N ATOM 1496 CA MET A 98 -12.513 -0.401 3.189 1.00 32.31 C ATOM 1497 C MET A 98 -12.280 -0.620 4.680 1.00 32.54 C ATOM 1498 O MET A 98 -11.220 -0.285 5.210 1.00 41.33 O ATOM 1499 CB MET A 98 -12.128 -1.660 2.410 1.00 64.33 C ATOM 1500 CG MET A 98 -12.931 -2.889 2.805 1.00 22.11 C ATOM 1501 SD MET A 98 -14.694 -2.700 2.480 1.00 13.22 S ATOM 1502 CE MET A 98 -15.330 -4.229 3.160 1.00 23.32 C ATOM 0 H MET A 98 -11.005 0.510 2.054 1.00 13.11 H new ATOM 0 HA MET A 98 -13.572 -0.195 3.031 1.00 32.31 H new ATOM 0 HB2 MET A 98 -12.264 -1.474 1.345 1.00 64.33 H new ATOM 0 HB3 MET A 98 -11.068 -1.863 2.565 1.00 64.33 H new ATOM 0 HG2 MET A 98 -12.556 -3.754 2.259 1.00 22.11 H new ATOM 0 HG3 MET A 98 -12.781 -3.091 3.865 1.00 22.11 H new ATOM 0 HE1 MET A 98 -16.412 -4.261 3.034 1.00 23.32 H new ATOM 0 HE2 MET A 98 -14.879 -5.074 2.639 1.00 23.32 H new ATOM 0 HE3 MET A 98 -15.086 -4.285 4.221 1.00 23.32 H new ATOM 1512 N THR A 99 -13.278 -1.184 5.354 1.00 24.41 N ATOM 1513 CA THR A 99 -13.182 -1.447 6.785 1.00 41.33 C ATOM 1514 C THR A 99 -13.239 -2.941 7.075 1.00 73.53 C ATOM 1515 O THR A 99 -14.063 -3.399 7.867 1.00 13.11 O ATOM 1516 CB THR A 99 -14.309 -0.740 7.562 1.00 0.34 C ATOM 1517 OG1 THR A 99 -15.585 -1.184 7.085 1.00 4.22 O ATOM 1518 CG2 THR A 99 -14.204 0.770 7.415 1.00 41.42 C ATOM 0 H THR A 99 -14.162 -1.467 4.932 1.00 24.41 H new ATOM 0 HA THR A 99 -12.221 -1.053 7.115 1.00 41.33 H new ATOM 0 HB THR A 99 -14.207 -0.993 8.617 1.00 0.34 H new ATOM 0 HG1 THR A 99 -15.696 -2.137 7.286 1.00 4.22 H new ATOM 0 HG21 THR A 99 -15.010 1.247 7.972 1.00 41.42 H new ATOM 0 HG22 THR A 99 -13.244 1.108 7.805 1.00 41.42 H new ATOM 0 HG23 THR A 99 -14.282 1.039 6.362 1.00 41.42 H new ATOM 1526 N VAL A 100 -12.358 -3.700 6.429 1.00 43.51 N ATOM 1527 CA VAL A 100 -12.308 -5.144 6.620 1.00 71.25 C ATOM 1528 C VAL A 100 -12.203 -5.500 8.099 1.00 14.30 C ATOM 1529 O VAL A 100 -12.024 -4.626 8.947 1.00 14.42 O ATOM 1530 CB VAL A 100 -11.117 -5.768 5.867 1.00 34.12 C ATOM 1531 CG1 VAL A 100 -11.324 -5.667 4.364 1.00 14.42 C ATOM 1532 CG2 VAL A 100 -9.816 -5.098 6.281 1.00 3.30 C ATOM 0 H VAL A 100 -11.670 -3.338 5.769 1.00 43.51 H new ATOM 0 HA VAL A 100 -13.236 -5.549 6.217 1.00 71.25 H new ATOM 0 HB VAL A 100 -11.055 -6.824 6.131 1.00 34.12 H new ATOM 0 HG11 VAL A 100 -10.473 -6.113 3.849 1.00 14.42 H new ATOM 0 HG12 VAL A 100 -12.235 -6.197 4.086 1.00 14.42 H new ATOM 0 HG13 VAL A 100 -11.413 -4.619 4.079 1.00 14.42 H new ATOM 0 HG21 VAL A 100 -8.985 -5.551 5.740 1.00 3.30 H new ATOM 0 HG22 VAL A 100 -9.864 -4.034 6.048 1.00 3.30 H new ATOM 0 HG23 VAL A 100 -9.665 -5.228 7.353 1.00 3.30 H new ATOM 1542 N SER A 101 -12.314 -6.789 8.400 1.00 25.21 N ATOM 1543 CA SER A 101 -12.235 -7.262 9.778 1.00 62.53 C ATOM 1544 C SER A 101 -10.975 -8.094 9.996 1.00 74.13 C ATOM 1545 O SER A 101 -10.409 -8.113 11.089 1.00 14.33 O ATOM 1546 CB SER A 101 -13.473 -8.090 10.127 1.00 41.13 C ATOM 1547 OG SER A 101 -14.622 -7.268 10.237 1.00 70.33 O ATOM 0 H SER A 101 -12.459 -7.525 7.709 1.00 25.21 H new ATOM 0 HA SER A 101 -12.192 -6.392 10.433 1.00 62.53 H new ATOM 0 HB2 SER A 101 -13.636 -8.847 9.360 1.00 41.13 H new ATOM 0 HB3 SER A 101 -13.308 -8.618 11.066 1.00 41.13 H new ATOM 0 HG SER A 101 -15.400 -7.821 10.459 1.00 70.33 H new ATOM 1553 N THR A 102 -10.538 -8.782 8.945 1.00 14.05 N ATOM 1554 CA THR A 102 -9.346 -9.617 9.019 1.00 51.31 C ATOM 1555 C THR A 102 -8.579 -9.598 7.703 1.00 73.33 C ATOM 1556 O THR A 102 -9.172 -9.508 6.628 1.00 31.20 O ATOM 1557 CB THR A 102 -9.702 -11.073 9.372 1.00 62.20 C ATOM 1558 OG1 THR A 102 -10.294 -11.721 8.241 1.00 42.02 O ATOM 1559 CG2 THR A 102 -10.661 -11.126 10.552 1.00 13.23 C ATOM 0 H THR A 102 -10.993 -8.777 8.032 1.00 14.05 H new ATOM 0 HA THR A 102 -8.718 -9.203 9.808 1.00 51.31 H new ATOM 0 HB THR A 102 -8.783 -11.591 9.647 1.00 62.20 H new ATOM 0 HG1 THR A 102 -10.516 -12.647 8.473 1.00 42.02 H new ATOM 0 HG21 THR A 102 -10.898 -12.165 10.782 1.00 13.23 H new ATOM 0 HG22 THR A 102 -10.196 -10.659 11.420 1.00 13.23 H new ATOM 0 HG23 THR A 102 -11.578 -10.592 10.300 1.00 13.23 H new ATOM 1567 N ALA A 103 -7.256 -9.685 7.793 1.00 54.13 N ATOM 1568 CA ALA A 103 -6.407 -9.681 6.608 1.00 53.00 C ATOM 1569 C ALA A 103 -6.871 -10.723 5.596 1.00 22.02 C ATOM 1570 O ALA A 103 -6.803 -10.503 4.388 1.00 0.33 O ATOM 1571 CB ALA A 103 -4.957 -9.928 6.997 1.00 73.12 C ATOM 0 H ALA A 103 -6.749 -9.759 8.675 1.00 54.13 H new ATOM 0 HA ALA A 103 -6.484 -8.700 6.140 1.00 53.00 H new ATOM 0 HB1 ALA A 103 -4.334 -9.922 6.102 1.00 73.12 H new ATOM 0 HB2 ALA A 103 -4.624 -9.143 7.676 1.00 73.12 H new ATOM 0 HB3 ALA A 103 -4.873 -10.896 7.492 1.00 73.12 H new ATOM 1577 N ALA A 104 -7.341 -11.860 6.100 1.00 34.21 N ATOM 1578 CA ALA A 104 -7.818 -12.936 5.240 1.00 20.40 C ATOM 1579 C ALA A 104 -9.010 -12.484 4.404 1.00 74.30 C ATOM 1580 O ALA A 104 -9.005 -12.609 3.180 1.00 61.04 O ATOM 1581 CB ALA A 104 -8.187 -14.154 6.074 1.00 22.51 C ATOM 0 H ALA A 104 -7.401 -12.059 7.099 1.00 34.21 H new ATOM 0 HA ALA A 104 -7.012 -13.207 4.558 1.00 20.40 H new ATOM 0 HB1 ALA A 104 -8.542 -14.950 5.419 1.00 22.51 H new ATOM 0 HB2 ALA A 104 -7.310 -14.499 6.622 1.00 22.51 H new ATOM 0 HB3 ALA A 104 -8.974 -13.887 6.779 1.00 22.51 H new ATOM 1587 N ALA A 105 -10.031 -11.960 5.074 1.00 52.33 N ATOM 1588 CA ALA A 105 -11.230 -11.489 4.392 1.00 52.33 C ATOM 1589 C ALA A 105 -10.888 -10.430 3.348 1.00 14.55 C ATOM 1590 O ALA A 105 -11.565 -10.310 2.327 1.00 41.43 O ATOM 1591 CB ALA A 105 -12.228 -10.936 5.399 1.00 33.10 C ATOM 0 H ALA A 105 -10.052 -11.851 6.088 1.00 52.33 H new ATOM 0 HA ALA A 105 -11.682 -12.337 3.877 1.00 52.33 H new ATOM 0 HB1 ALA A 105 -13.118 -10.588 4.875 1.00 33.10 H new ATOM 0 HB2 ALA A 105 -12.505 -11.719 6.105 1.00 33.10 H new ATOM 0 HB3 ALA A 105 -11.777 -10.104 5.939 1.00 33.10 H new ATOM 1597 N ALA A 106 -9.835 -9.663 3.613 1.00 63.40 N ATOM 1598 CA ALA A 106 -9.402 -8.616 2.697 1.00 34.25 C ATOM 1599 C ALA A 106 -8.924 -9.207 1.375 1.00 43.15 C ATOM 1600 O ALA A 106 -9.412 -8.838 0.308 1.00 72.12 O ATOM 1601 CB ALA A 106 -8.303 -7.778 3.333 1.00 33.24 C ATOM 0 H ALA A 106 -9.266 -9.748 4.455 1.00 63.40 H new ATOM 0 HA ALA A 106 -10.257 -7.973 2.489 1.00 34.25 H new ATOM 0 HB1 ALA A 106 -7.990 -7.000 2.637 1.00 33.24 H new ATOM 0 HB2 ALA A 106 -8.679 -7.318 4.247 1.00 33.24 H new ATOM 0 HB3 ALA A 106 -7.452 -8.415 3.572 1.00 33.24 H new ATOM 1607 N GLU A 107 -7.963 -10.123 1.455 1.00 10.42 N ATOM 1608 CA GLU A 107 -7.418 -10.762 0.264 1.00 42.01 C ATOM 1609 C GLU A 107 -8.525 -11.410 -0.562 1.00 54.13 C ATOM 1610 O GLU A 107 -8.524 -11.335 -1.790 1.00 42.52 O ATOM 1611 CB GLU A 107 -6.376 -11.813 0.654 1.00 1.12 C ATOM 1612 CG GLU A 107 -5.839 -12.605 -0.526 1.00 60.15 C ATOM 1613 CD GLU A 107 -6.347 -14.034 -0.549 1.00 61.23 C ATOM 1614 OE1 GLU A 107 -5.854 -14.851 0.256 1.00 12.21 O ATOM 1615 OE2 GLU A 107 -7.235 -14.334 -1.374 1.00 2.15 O ATOM 0 H GLU A 107 -7.547 -10.438 2.331 1.00 10.42 H new ATOM 0 HA GLU A 107 -6.939 -9.993 -0.342 1.00 42.01 H new ATOM 0 HB2 GLU A 107 -5.545 -11.319 1.158 1.00 1.12 H new ATOM 0 HB3 GLU A 107 -6.819 -12.503 1.372 1.00 1.12 H new ATOM 0 HG2 GLU A 107 -6.124 -12.107 -1.453 1.00 60.15 H new ATOM 0 HG3 GLU A 107 -4.750 -12.611 -0.489 1.00 60.15 H new ATOM 1622 N ASN A 108 -9.469 -12.048 0.122 1.00 22.20 N ATOM 1623 CA ASN A 108 -10.583 -12.710 -0.547 1.00 21.32 C ATOM 1624 C ASN A 108 -11.391 -11.715 -1.373 1.00 54.14 C ATOM 1625 O ASN A 108 -11.701 -11.966 -2.537 1.00 51.21 O ATOM 1626 CB ASN A 108 -11.488 -13.393 0.479 1.00 73.21 C ATOM 1627 CG ASN A 108 -12.288 -14.533 -0.123 1.00 54.44 C ATOM 1628 OD1 ASN A 108 -11.794 -15.654 -0.248 1.00 55.12 O ATOM 1629 ND2 ASN A 108 -13.530 -14.251 -0.499 1.00 53.52 N ATOM 0 H ASN A 108 -9.485 -12.121 1.139 1.00 22.20 H new ATOM 0 HA ASN A 108 -10.174 -13.464 -1.219 1.00 21.32 H new ATOM 0 HB2 ASN A 108 -10.880 -13.773 1.300 1.00 73.21 H new ATOM 0 HB3 ASN A 108 -12.172 -12.657 0.903 1.00 73.21 H new ATOM 0 HD21 ASN A 108 -14.116 -14.978 -0.910 1.00 53.52 H new ATOM 0 HD22 ASN A 108 -13.898 -13.308 -0.376 1.00 53.52 H new ATOM 1636 N MET A 109 -11.729 -10.583 -0.762 1.00 32.23 N ATOM 1637 CA MET A 109 -12.500 -9.549 -1.441 1.00 64.03 C ATOM 1638 C MET A 109 -11.743 -9.015 -2.653 1.00 31.22 C ATOM 1639 O MET A 109 -12.347 -8.654 -3.664 1.00 11.12 O ATOM 1640 CB MET A 109 -12.817 -8.404 -0.477 1.00 52.14 C ATOM 1641 CG MET A 109 -14.258 -7.929 -0.551 1.00 15.23 C ATOM 1642 SD MET A 109 -15.302 -8.677 0.716 1.00 62.13 S ATOM 1643 CE MET A 109 -16.613 -9.368 -0.290 1.00 51.35 C ATOM 0 H MET A 109 -11.481 -10.360 0.202 1.00 32.23 H new ATOM 0 HA MET A 109 -13.434 -9.993 -1.785 1.00 64.03 H new ATOM 0 HB2 MET A 109 -12.601 -8.727 0.541 1.00 52.14 H new ATOM 0 HB3 MET A 109 -12.155 -7.565 -0.692 1.00 52.14 H new ATOM 0 HG2 MET A 109 -14.285 -6.845 -0.445 1.00 15.23 H new ATOM 0 HG3 MET A 109 -14.664 -8.163 -1.535 1.00 15.23 H new ATOM 0 HE1 MET A 109 -17.340 -9.866 0.352 1.00 51.35 H new ATOM 0 HE2 MET A 109 -17.105 -8.569 -0.845 1.00 51.35 H new ATOM 0 HE3 MET A 109 -16.192 -10.090 -0.990 1.00 51.35 H new ATOM 1653 N TYR A 110 -10.421 -8.967 -2.546 1.00 43.30 N ATOM 1654 CA TYR A 110 -9.582 -8.474 -3.632 1.00 25.13 C ATOM 1655 C TYR A 110 -9.680 -9.386 -4.851 1.00 64.24 C ATOM 1656 O TYR A 110 -10.030 -8.944 -5.945 1.00 40.45 O ATOM 1657 CB TYR A 110 -8.126 -8.370 -3.174 1.00 35.11 C ATOM 1658 CG TYR A 110 -7.508 -7.014 -3.428 1.00 42.03 C ATOM 1659 CD1 TYR A 110 -6.363 -6.885 -4.205 1.00 11.21 C ATOM 1660 CD2 TYR A 110 -8.067 -5.861 -2.889 1.00 63.41 C ATOM 1661 CE1 TYR A 110 -5.794 -5.648 -4.439 1.00 30.23 C ATOM 1662 CE2 TYR A 110 -7.506 -4.620 -3.119 1.00 64.22 C ATOM 1663 CZ TYR A 110 -6.369 -4.518 -3.894 1.00 74.41 C ATOM 1664 OH TYR A 110 -5.806 -3.285 -4.125 1.00 13.44 O ATOM 0 H TYR A 110 -9.906 -9.264 -1.717 1.00 43.30 H new ATOM 0 HA TYR A 110 -9.938 -7.483 -3.912 1.00 25.13 H new ATOM 0 HB2 TYR A 110 -8.072 -8.591 -2.108 1.00 35.11 H new ATOM 0 HB3 TYR A 110 -7.537 -9.130 -3.687 1.00 35.11 H new ATOM 0 HD1 TYR A 110 -5.910 -7.767 -4.633 1.00 11.21 H new ATOM 0 HD2 TYR A 110 -8.956 -5.937 -2.280 1.00 63.41 H new ATOM 0 HE1 TYR A 110 -4.904 -5.566 -5.045 1.00 30.23 H new ATOM 0 HE2 TYR A 110 -7.955 -3.734 -2.694 1.00 64.22 H new ATOM 0 HH TYR A 110 -5.011 -3.389 -4.689 1.00 13.44 H new ATOM 1674 N SER A 111 -9.367 -10.663 -4.654 1.00 42.40 N ATOM 1675 CA SER A 111 -9.415 -11.638 -5.736 1.00 74.13 C ATOM 1676 C SER A 111 -10.846 -11.830 -6.232 1.00 3.43 C ATOM 1677 O SER A 111 -11.093 -11.903 -7.435 1.00 44.24 O ATOM 1678 CB SER A 111 -8.841 -12.978 -5.272 1.00 5.23 C ATOM 1679 OG SER A 111 -8.892 -13.091 -3.859 1.00 34.34 O ATOM 0 H SER A 111 -9.077 -11.046 -3.754 1.00 42.40 H new ATOM 0 HA SER A 111 -8.810 -11.258 -6.560 1.00 74.13 H new ATOM 0 HB2 SER A 111 -9.402 -13.795 -5.726 1.00 5.23 H new ATOM 0 HB3 SER A 111 -7.809 -13.073 -5.611 1.00 5.23 H new ATOM 0 HG SER A 111 -8.521 -13.956 -3.586 1.00 34.34 H new ATOM 1685 N GLN A 112 -11.784 -11.911 -5.293 1.00 73.14 N ATOM 1686 CA GLN A 112 -13.190 -12.095 -5.633 1.00 75.54 C ATOM 1687 C GLN A 112 -13.722 -10.898 -6.414 1.00 75.45 C ATOM 1688 O GLN A 112 -14.677 -11.020 -7.181 1.00 31.43 O ATOM 1689 CB GLN A 112 -14.021 -12.303 -4.366 1.00 42.25 C ATOM 1690 CG GLN A 112 -15.460 -12.707 -4.641 1.00 42.22 C ATOM 1691 CD GLN A 112 -16.101 -13.418 -3.465 1.00 52.23 C ATOM 1692 OE1 GLN A 112 -16.537 -14.564 -3.580 1.00 41.01 O ATOM 1693 NE2 GLN A 112 -16.162 -12.740 -2.325 1.00 42.34 N ATOM 0 H GLN A 112 -11.596 -11.852 -4.292 1.00 73.14 H new ATOM 0 HA GLN A 112 -13.272 -12.982 -6.262 1.00 75.54 H new ATOM 0 HB2 GLN A 112 -13.548 -13.070 -3.753 1.00 42.25 H new ATOM 0 HB3 GLN A 112 -14.016 -11.382 -3.783 1.00 42.25 H new ATOM 0 HG2 GLN A 112 -16.043 -11.819 -4.885 1.00 42.22 H new ATOM 0 HG3 GLN A 112 -15.490 -13.358 -5.515 1.00 42.22 H new ATOM 0 HE21 GLN A 112 -15.788 -11.792 -2.275 1.00 42.34 H new ATOM 0 HE22 GLN A 112 -16.583 -13.167 -1.500 1.00 42.34 H new ATOM 1702 N MET A 113 -13.098 -9.743 -6.214 1.00 45.24 N ATOM 1703 CA MET A 113 -13.509 -8.524 -6.901 1.00 10.31 C ATOM 1704 C MET A 113 -13.040 -8.532 -8.352 1.00 73.40 C ATOM 1705 O MET A 113 -13.622 -7.865 -9.207 1.00 21.43 O ATOM 1706 CB MET A 113 -12.952 -7.294 -6.180 1.00 72.41 C ATOM 1707 CG MET A 113 -13.908 -6.705 -5.156 1.00 44.41 C ATOM 1708 SD MET A 113 -14.752 -5.232 -5.761 1.00 14.41 S ATOM 1709 CE MET A 113 -14.192 -4.010 -4.577 1.00 13.15 C ATOM 0 H MET A 113 -12.306 -9.625 -5.582 1.00 45.24 H new ATOM 0 HA MET A 113 -14.598 -8.481 -6.890 1.00 10.31 H new ATOM 0 HB2 MET A 113 -12.021 -7.566 -5.682 1.00 72.41 H new ATOM 0 HB3 MET A 113 -12.707 -6.530 -6.918 1.00 72.41 H new ATOM 0 HG2 MET A 113 -14.648 -7.456 -4.882 1.00 44.41 H new ATOM 0 HG3 MET A 113 -13.356 -6.456 -4.250 1.00 44.41 H new ATOM 0 HE1 MET A 113 -14.630 -3.042 -4.819 1.00 13.15 H new ATOM 0 HE2 MET A 113 -14.499 -4.307 -3.574 1.00 13.15 H new ATOM 0 HE3 MET A 113 -13.105 -3.936 -4.616 1.00 13.15 H new ATOM 1719 N GLY A 114 -11.984 -9.293 -8.624 1.00 65.13 N ATOM 1720 CA GLY A 114 -11.455 -9.373 -9.973 1.00 45.14 C ATOM 1721 C GLY A 114 -10.053 -8.806 -10.081 1.00 55.00 C ATOM 1722 O GLY A 114 -9.615 -8.418 -11.164 1.00 45.24 O ATOM 0 H GLY A 114 -11.486 -9.855 -7.934 1.00 65.13 H new ATOM 0 HA2 GLY A 114 -11.448 -10.414 -10.296 1.00 45.14 H new ATOM 0 HA3 GLY A 114 -12.115 -8.833 -10.651 1.00 45.14 H new ATOM 1726 N LEU A 115 -9.348 -8.756 -8.955 1.00 73.53 N ATOM 1727 CA LEU A 115 -7.988 -8.231 -8.928 1.00 11.02 C ATOM 1728 C LEU A 115 -6.967 -9.354 -9.075 1.00 63.23 C ATOM 1729 O LEU A 115 -5.846 -9.132 -9.535 1.00 22.45 O ATOM 1730 CB LEU A 115 -7.741 -7.470 -7.624 1.00 14.42 C ATOM 1731 CG LEU A 115 -8.445 -6.119 -7.492 1.00 55.42 C ATOM 1732 CD1 LEU A 115 -9.369 -6.114 -6.285 1.00 1.15 C ATOM 1733 CD2 LEU A 115 -7.425 -4.994 -7.390 1.00 2.55 C ATOM 0 H LEU A 115 -9.696 -9.073 -8.050 1.00 73.53 H new ATOM 0 HA LEU A 115 -7.872 -7.548 -9.769 1.00 11.02 H new ATOM 0 HB2 LEU A 115 -8.053 -8.102 -6.793 1.00 14.42 H new ATOM 0 HB3 LEU A 115 -6.668 -7.310 -7.518 1.00 14.42 H new ATOM 0 HG LEU A 115 -9.048 -5.956 -8.385 1.00 55.42 H new ATOM 0 HD11 LEU A 115 -9.861 -5.144 -6.207 1.00 1.15 H new ATOM 0 HD12 LEU A 115 -10.121 -6.895 -6.399 1.00 1.15 H new ATOM 0 HD13 LEU A 115 -8.788 -6.299 -5.381 1.00 1.15 H new ATOM 0 HD21 LEU A 115 -7.944 -4.040 -7.297 1.00 2.55 H new ATOM 0 HD22 LEU A 115 -6.795 -5.152 -6.514 1.00 2.55 H new ATOM 0 HD23 LEU A 115 -6.804 -4.983 -8.286 1.00 2.55 H new ATOM 1745 N ASP A 116 -7.362 -10.562 -8.684 1.00 52.44 N ATOM 1746 CA ASP A 116 -6.483 -11.721 -8.777 1.00 1.53 C ATOM 1747 C ASP A 116 -7.289 -13.015 -8.779 1.00 34.41 C ATOM 1748 O ASP A 116 -7.146 -13.851 -7.887 1.00 31.33 O ATOM 1749 CB ASP A 116 -5.490 -11.727 -7.613 1.00 63.44 C ATOM 1750 CG ASP A 116 -4.245 -12.537 -7.920 1.00 21.32 C ATOM 1751 OD1 ASP A 116 -4.311 -13.414 -8.806 1.00 61.44 O ATOM 1752 OD2 ASP A 116 -3.205 -12.293 -7.273 1.00 62.14 O ATOM 0 H ASP A 116 -8.285 -10.763 -8.300 1.00 52.44 H new ATOM 0 HA ASP A 116 -5.933 -11.655 -9.716 1.00 1.53 H new ATOM 0 HB2 ASP A 116 -5.204 -10.702 -7.377 1.00 63.44 H new ATOM 0 HB3 ASP A 116 -5.976 -12.134 -6.726 1.00 63.44 H new ATOM 1757 N THR A 117 -8.140 -13.175 -9.788 1.00 73.43 N ATOM 1758 CA THR A 117 -8.971 -14.366 -9.907 1.00 23.41 C ATOM 1759 C THR A 117 -8.117 -15.625 -10.008 1.00 1.11 C ATOM 1760 O THR A 117 -7.091 -15.638 -10.688 1.00 52.12 O ATOM 1761 CB THR A 117 -9.895 -14.286 -11.137 1.00 12.03 C ATOM 1762 OG1 THR A 117 -10.369 -12.946 -11.308 1.00 23.25 O ATOM 1763 CG2 THR A 117 -11.076 -15.234 -10.989 1.00 51.44 C ATOM 0 H THR A 117 -8.272 -12.493 -10.535 1.00 73.43 H new ATOM 0 HA THR A 117 -9.582 -14.416 -9.006 1.00 23.41 H new ATOM 0 HB THR A 117 -9.321 -14.581 -12.015 1.00 12.03 H new ATOM 0 HG1 THR A 117 -10.954 -12.904 -12.093 1.00 23.25 H new ATOM 0 HG21 THR A 117 -11.714 -15.160 -11.869 1.00 51.44 H new ATOM 0 HG22 THR A 117 -10.712 -16.256 -10.890 1.00 51.44 H new ATOM 0 HG23 THR A 117 -11.649 -14.965 -10.102 1.00 51.44 H new ATOM 1771 N ARG A 118 -8.547 -16.681 -9.326 1.00 61.40 N ATOM 1772 CA ARG A 118 -7.822 -17.946 -9.339 1.00 65.43 C ATOM 1773 C ARG A 118 -6.403 -17.763 -8.806 1.00 71.32 C ATOM 1774 O ARG A 118 -5.421 -17.838 -9.546 1.00 15.11 O ATOM 1775 CB ARG A 118 -7.775 -18.518 -10.757 1.00 54.24 C ATOM 1776 CG ARG A 118 -9.115 -18.479 -11.474 1.00 11.14 C ATOM 1777 CD ARG A 118 -8.985 -18.913 -12.925 1.00 63.33 C ATOM 1778 NE ARG A 118 -10.128 -18.489 -13.728 1.00 74.54 N ATOM 1779 CZ ARG A 118 -10.268 -17.263 -14.217 1.00 53.53 C ATOM 1780 NH1 ARG A 118 -9.342 -16.343 -13.986 1.00 71.13 N ATOM 1781 NH2 ARG A 118 -11.338 -16.954 -14.939 1.00 74.22 N ATOM 0 H ARG A 118 -9.394 -16.686 -8.757 1.00 61.40 H new ATOM 0 HA ARG A 118 -8.350 -18.645 -8.690 1.00 65.43 H new ATOM 0 HB2 ARG A 118 -7.044 -17.959 -11.341 1.00 54.24 H new ATOM 0 HB3 ARG A 118 -7.426 -19.550 -10.712 1.00 54.24 H new ATOM 0 HG2 ARG A 118 -9.822 -19.130 -10.961 1.00 11.14 H new ATOM 0 HG3 ARG A 118 -9.522 -17.469 -11.431 1.00 11.14 H new ATOM 0 HD2 ARG A 118 -8.071 -18.496 -13.347 1.00 63.33 H new ATOM 0 HD3 ARG A 118 -8.892 -19.998 -12.972 1.00 63.33 H new ATOM 0 HE ARG A 118 -10.859 -19.172 -13.924 1.00 74.54 H new ATOM 0 HH11 ARG A 118 -8.519 -16.576 -13.431 1.00 71.13 H new ATOM 0 HH12 ARG A 118 -9.453 -15.402 -14.363 1.00 71.13 H new ATOM 0 HH21 ARG A 118 -12.053 -17.659 -15.118 1.00 74.22 H new ATOM 0 HH22 ARG A 118 -11.445 -16.012 -15.315 1.00 74.22 H new ATOM 1795 N PRO A 119 -6.291 -17.518 -7.493 1.00 3.33 N ATOM 1796 CA PRO A 119 -4.997 -17.320 -6.832 1.00 70.40 C ATOM 1797 C PRO A 119 -4.179 -18.605 -6.761 1.00 14.25 C ATOM 1798 O PRO A 119 -3.094 -18.630 -6.181 1.00 62.12 O ATOM 1799 CB PRO A 119 -5.385 -16.855 -5.426 1.00 41.00 C ATOM 1800 CG PRO A 119 -6.748 -17.414 -5.205 1.00 11.42 C ATOM 1801 CD PRO A 119 -7.418 -17.416 -6.551 1.00 20.25 C ATOM 0 HA PRO A 119 -4.368 -16.612 -7.372 1.00 70.40 H new ATOM 0 HB2 PRO A 119 -4.681 -17.222 -4.679 1.00 41.00 H new ATOM 0 HB3 PRO A 119 -5.387 -15.767 -5.355 1.00 41.00 H new ATOM 0 HG2 PRO A 119 -6.694 -18.422 -4.794 1.00 11.42 H new ATOM 0 HG3 PRO A 119 -7.307 -16.809 -4.492 1.00 11.42 H new ATOM 0 HD2 PRO A 119 -8.106 -18.255 -6.656 1.00 20.25 H new ATOM 0 HD3 PRO A 119 -7.996 -16.506 -6.713 1.00 20.25 H new TER 1809 PRO A 119 HETATM 1810 C1 MYR A 201 4.695 11.909 -0.925 1.00 73.44 C HETATM 1811 O1 MYR A 201 5.632 11.547 -1.635 1.00 24.35 O HETATM 1812 C2 MYR A 201 4.658 11.436 0.529 1.00 32.40 C HETATM 1813 C3 MYR A 201 5.824 10.501 0.929 1.00 0.53 C HETATM 1814 C4 MYR A 201 5.885 10.273 2.452 1.00 52.34 C HETATM 1815 C5 MYR A 201 5.617 8.803 2.829 1.00 44.43 C HETATM 1816 C6 MYR A 201 4.232 8.611 3.473 1.00 53.30 C HETATM 1817 C7 MYR A 201 3.368 7.595 2.703 1.00 34.44 C HETATM 1818 C8 MYR A 201 2.583 8.252 1.552 1.00 71.45 C HETATM 1819 C9 MYR A 201 1.374 7.403 1.113 1.00 44.32 C HETATM 1820 C10 MYR A 201 1.778 5.967 0.723 1.00 22.03 C HETATM 1821 C11 MYR A 201 0.592 5.054 0.345 1.00 63.43 C HETATM 1822 C12 MYR A 201 1.004 3.706 -0.283 1.00 21.21 C HETATM 1823 C13 MYR A 201 1.557 2.721 0.763 1.00 33.10 C HETATM 1824 C14 MYR A 201 1.809 1.332 0.161 1.00 14.12 C HETATM 0 H143 MYR A 201 0.874 0.929 -0.227 1.00 14.12 H new HETATM 0 H142 MYR A 201 2.534 1.413 -0.649 1.00 14.12 H new HETATM 0 H141 MYR A 201 2.199 0.667 0.931 1.00 14.12 H new HETATM 0 H132 MYR A 201 2.487 3.113 1.175 1.00 33.10 H new HETATM 0 H131 MYR A 201 0.853 2.636 1.590 1.00 33.10 H new HETATM 0 H122 MYR A 201 0.142 3.260 -0.779 1.00 21.21 H new HETATM 0 H121 MYR A 201 1.759 3.880 -1.050 1.00 21.21 H new HETATM 0 H112 MYR A 201 -0.001 4.859 1.239 1.00 63.43 H new HETATM 0 H111 MYR A 201 -0.052 5.586 -0.355 1.00 63.43 H new HETATM 0 H102 MYR A 201 2.469 6.012 -0.119 1.00 22.03 H new HETATM 0 H101 MYR A 201 2.318 5.515 1.555 1.00 22.03 H new HETATM 0 H92 MYR A 201 0.646 7.366 1.923 1.00 44.32 H new HETATM 0 H91 MYR A 201 0.884 7.883 0.266 1.00 44.32 H new HETATM 0 H82 MYR A 201 2.238 9.237 1.866 1.00 71.45 H new HETATM 0 H81 MYR A 201 3.247 8.403 0.701 1.00 71.45 H new HETATM 0 H72 MYR A 201 4.007 6.808 2.302 1.00 34.44 H new HETATM 0 H71 MYR A 201 2.670 7.119 3.391 1.00 34.44 H new HETATM 0 H62 MYR A 201 4.355 8.274 4.502 1.00 53.30 H new HETATM 0 H61 MYR A 201 3.715 9.570 3.511 1.00 53.30 H new HETATM 0 H52 MYR A 201 5.690 8.182 1.936 1.00 44.43 H new HETATM 0 H51 MYR A 201 6.388 8.461 3.520 1.00 44.43 H new HETATM 0 H42 MYR A 201 6.866 10.569 2.823 1.00 52.34 H new HETATM 0 H41 MYR A 201 5.152 10.912 2.944 1.00 52.34 H new HETATM 0 H32 MYR A 201 5.710 9.542 0.423 1.00 0.53 H new HETATM 0 H31 MYR A 201 6.766 10.931 0.589 1.00 0.53 H new HETATM 0 H22 MYR A 201 4.668 12.309 1.182 1.00 32.40 H new HETATM 0 H21 MYR A 201 3.716 10.917 0.705 1.00 32.40 H new