USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl 155:sc= -1.37! (180deg=-1.98) USER MOD Set 1.2: A 113 MET CE :methyl 143:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -154:sc= 0.00597 (180deg=0) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.97) USER MOD Set 3.1: A 17 SER OG : rot -100:sc= 0.706 USER MOD Set 3.2: A 18 ASN : amide:sc= 0 X(o=0.71,f=0.7) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 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 167:sc= 0.606 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -130:sc= 0 (180deg=-0.066) USER MOD Single : A 43 ASN : amide:sc= 0.621 K(o=0.62,f=-1.8!) USER MOD Single : A 45 SER OG : rot 70:sc= 1.2 USER MOD Single : A 46 THR OG1 : rot 36:sc= 1.25 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 59 GLN : amide:sc= -3.97! C(o=-4!,f=-4!) USER MOD Single : A 65 CYS SG : rot 82:sc= -0.0875 USER MOD Single : A 68 GLN : amide:sc= -0.375 K(o=-0.38,f=-1.6) 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 -129:sc= -0.541 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 70:sc= 0.0369 USER MOD Single : A 88 LYS NZ :NH3+ -132:sc= -0.91 (180deg=-4.5!) USER MOD Single : A 97 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.5) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 112 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 4.100 3.396 -3.903 1.00 73.14 N ATOM 23 CA LEU A 4 4.951 3.100 -5.051 1.00 0.04 C ATOM 24 C LEU A 4 5.464 1.665 -4.992 1.00 61.20 C ATOM 25 O LEU A 4 6.627 1.396 -5.294 1.00 34.42 O ATOM 26 CB LEU A 4 6.130 4.073 -5.102 1.00 73.23 C ATOM 27 CG LEU A 4 6.908 4.117 -6.418 1.00 3.03 C ATOM 28 CD1 LEU A 4 5.977 4.431 -7.578 1.00 24.33 C ATOM 29 CD2 LEU A 4 8.031 5.141 -6.340 1.00 22.04 C ATOM 0 HA LEU A 4 4.353 3.216 -5.955 1.00 0.04 H new ATOM 0 HB2 LEU A 4 5.758 5.075 -4.890 1.00 73.23 H new ATOM 0 HB3 LEU A 4 6.823 3.814 -4.302 1.00 73.23 H new ATOM 0 HG LEU A 4 7.350 3.136 -6.590 1.00 3.03 H new ATOM 0 HD11 LEU A 4 6.548 4.458 -8.506 1.00 24.33 H new ATOM 0 HD12 LEU A 4 5.209 3.661 -7.647 1.00 24.33 H new ATOM 0 HD13 LEU A 4 5.505 5.400 -7.414 1.00 24.33 H new ATOM 0 HD21 LEU A 4 8.574 5.159 -7.285 1.00 22.04 H new ATOM 0 HD22 LEU A 4 7.611 6.128 -6.144 1.00 22.04 H new ATOM 0 HD23 LEU A 4 8.714 4.871 -5.534 1.00 22.04 H new ATOM 41 N LYS A 5 4.588 0.744 -4.604 1.00 62.44 N ATOM 42 CA LYS A 5 4.949 -0.666 -4.509 1.00 74.15 C ATOM 43 C LYS A 5 5.587 -1.152 -5.807 1.00 30.22 C ATOM 44 O LYS A 5 4.961 -1.124 -6.867 1.00 15.33 O ATOM 45 CB LYS A 5 3.713 -1.509 -4.188 1.00 52.52 C ATOM 46 CG LYS A 5 3.838 -2.304 -2.900 1.00 12.41 C ATOM 47 CD LYS A 5 4.214 -3.752 -3.172 1.00 70.22 C ATOM 48 CE LYS A 5 3.857 -4.650 -1.997 1.00 73.44 C ATOM 49 NZ LYS A 5 4.391 -6.030 -2.172 1.00 72.44 N ATOM 0 H LYS A 5 3.622 0.949 -4.350 1.00 62.44 H new ATOM 0 HA LYS A 5 5.675 -0.777 -3.704 1.00 74.15 H new ATOM 0 HB2 LYS A 5 2.845 -0.854 -4.118 1.00 52.52 H new ATOM 0 HB3 LYS A 5 3.528 -2.197 -5.013 1.00 52.52 H new ATOM 0 HG2 LYS A 5 4.592 -1.845 -2.260 1.00 12.41 H new ATOM 0 HG3 LYS A 5 2.894 -2.268 -2.356 1.00 12.41 H new ATOM 0 HD2 LYS A 5 3.700 -4.101 -4.067 1.00 70.22 H new ATOM 0 HD3 LYS A 5 5.283 -3.820 -3.372 1.00 70.22 H new ATOM 0 HE2 LYS A 5 4.255 -4.220 -1.077 1.00 73.44 H new ATOM 0 HE3 LYS A 5 2.773 -4.691 -1.887 1.00 73.44 H new ATOM 0 HZ1 LYS A 5 4.127 -6.611 -1.351 1.00 72.44 H new ATOM 0 HZ2 LYS A 5 3.992 -6.450 -3.036 1.00 72.44 H new ATOM 0 HZ3 LYS A 5 5.427 -5.994 -2.251 1.00 72.44 H new ATOM 63 N SER A 6 6.835 -1.599 -5.716 1.00 12.45 N ATOM 64 CA SER A 6 7.559 -2.090 -6.883 1.00 12.04 C ATOM 65 C SER A 6 6.774 -3.194 -7.584 1.00 0.35 C ATOM 66 O SER A 6 6.916 -3.404 -8.788 1.00 50.10 O ATOM 67 CB SER A 6 8.938 -2.609 -6.472 1.00 42.35 C ATOM 68 OG SER A 6 9.625 -3.164 -7.582 1.00 72.14 O ATOM 0 H SER A 6 7.366 -1.631 -4.846 1.00 12.45 H new ATOM 0 HA SER A 6 7.684 -1.260 -7.579 1.00 12.04 H new ATOM 0 HB2 SER A 6 9.525 -1.795 -6.047 1.00 42.35 H new ATOM 0 HB3 SER A 6 8.829 -3.364 -5.693 1.00 42.35 H new ATOM 0 HG SER A 6 10.504 -3.487 -7.294 1.00 72.14 H new ATOM 74 N ARG A 7 5.946 -3.899 -6.818 1.00 64.02 N ATOM 75 CA ARG A 7 5.139 -4.983 -7.365 1.00 2.12 C ATOM 76 C ARG A 7 3.947 -4.435 -8.146 1.00 12.40 C ATOM 77 O ARG A 7 3.869 -4.587 -9.364 1.00 61.23 O ATOM 78 CB ARG A 7 4.648 -5.898 -6.240 1.00 65.03 C ATOM 79 CG ARG A 7 4.079 -7.218 -6.734 1.00 52.33 C ATOM 80 CD ARG A 7 3.196 -7.872 -5.683 1.00 23.02 C ATOM 81 NE ARG A 7 2.798 -9.224 -6.066 1.00 61.41 N ATOM 82 CZ ARG A 7 2.192 -10.074 -5.243 1.00 73.45 C ATOM 83 NH1 ARG A 7 1.917 -9.712 -3.998 1.00 74.53 N ATOM 84 NH2 ARG A 7 1.861 -11.286 -5.666 1.00 62.24 N ATOM 0 H ARG A 7 5.817 -3.739 -5.819 1.00 64.02 H new ATOM 0 HA ARG A 7 5.764 -5.559 -8.048 1.00 2.12 H new ATOM 0 HB2 ARG A 7 5.476 -6.100 -5.560 1.00 65.03 H new ATOM 0 HB3 ARG A 7 3.884 -5.375 -5.665 1.00 65.03 H new ATOM 0 HG2 ARG A 7 3.501 -7.049 -7.642 1.00 52.33 H new ATOM 0 HG3 ARG A 7 4.895 -7.892 -6.996 1.00 52.33 H new ATOM 0 HD2 ARG A 7 3.729 -7.907 -4.733 1.00 23.02 H new ATOM 0 HD3 ARG A 7 2.306 -7.263 -5.527 1.00 23.02 H new ATOM 0 HE ARG A 7 2.996 -9.533 -7.018 1.00 61.41 H new ATOM 0 HH11 ARG A 7 2.170 -8.780 -3.670 1.00 74.53 H new ATOM 0 HH12 ARG A 7 1.452 -10.365 -3.368 1.00 74.53 H new ATOM 0 HH21 ARG A 7 2.071 -11.567 -6.624 1.00 62.24 H new ATOM 0 HH22 ARG A 7 1.396 -11.938 -5.034 1.00 62.24 H new ATOM 98 N ASP A 8 3.023 -3.799 -7.434 1.00 40.24 N ATOM 99 CA ASP A 8 1.837 -3.228 -8.060 1.00 21.14 C ATOM 100 C ASP A 8 2.222 -2.263 -9.177 1.00 54.10 C ATOM 101 O ASP A 8 1.456 -2.046 -10.115 1.00 31.13 O ATOM 102 CB ASP A 8 0.981 -2.506 -7.017 1.00 63.11 C ATOM 103 CG ASP A 8 0.256 -3.468 -6.097 1.00 15.24 C ATOM 104 OD1 ASP A 8 -0.049 -3.077 -4.951 1.00 33.42 O ATOM 105 OD2 ASP A 8 -0.006 -4.613 -6.522 1.00 72.11 O ATOM 0 H ASP A 8 3.073 -3.666 -6.424 1.00 40.24 H new ATOM 0 HA ASP A 8 1.257 -4.043 -8.493 1.00 21.14 H new ATOM 0 HB2 ASP A 8 1.615 -1.848 -6.423 1.00 63.11 H new ATOM 0 HB3 ASP A 8 0.252 -1.874 -7.524 1.00 63.11 H new ATOM 110 N TRP A 9 3.413 -1.686 -9.067 1.00 31.31 N ATOM 111 CA TRP A 9 3.900 -0.742 -10.068 1.00 34.25 C ATOM 112 C TRP A 9 4.332 -1.468 -11.335 1.00 44.03 C ATOM 113 O TRP A 9 3.725 -1.304 -12.394 1.00 43.31 O ATOM 114 CB TRP A 9 5.069 0.070 -9.505 1.00 63.44 C ATOM 115 CG TRP A 9 5.530 1.160 -10.425 1.00 41.34 C ATOM 116 CD1 TRP A 9 6.806 1.381 -10.858 1.00 72.14 C ATOM 117 CD2 TRP A 9 4.720 2.179 -11.022 1.00 25.04 C ATOM 118 NE1 TRP A 9 6.838 2.475 -11.689 1.00 14.25 N ATOM 119 CE2 TRP A 9 5.571 2.982 -11.806 1.00 44.13 C ATOM 120 CE3 TRP A 9 3.358 2.488 -10.973 1.00 1.21 C ATOM 121 CZ2 TRP A 9 5.103 4.074 -12.532 1.00 21.43 C ATOM 122 CZ3 TRP A 9 2.895 3.573 -11.693 1.00 42.05 C ATOM 123 CH2 TRP A 9 3.765 4.354 -12.465 1.00 71.53 C ATOM 0 H TRP A 9 4.059 -1.854 -8.296 1.00 31.31 H new ATOM 0 HA TRP A 9 3.085 -0.064 -10.321 1.00 34.25 H new ATOM 0 HB2 TRP A 9 4.772 0.509 -8.553 1.00 63.44 H new ATOM 0 HB3 TRP A 9 5.903 -0.601 -9.301 1.00 63.44 H new ATOM 0 HD1 TRP A 9 7.664 0.784 -10.587 1.00 72.14 H new ATOM 0 HE1 TRP A 9 7.670 2.849 -12.145 1.00 14.25 H new ATOM 0 HE3 TRP A 9 2.679 1.890 -10.383 1.00 1.21 H new ATOM 0 HZ2 TRP A 9 5.772 4.678 -13.127 1.00 21.43 H new ATOM 0 HZ3 TRP A 9 1.845 3.823 -11.660 1.00 42.05 H new ATOM 0 HH2 TRP A 9 3.372 5.194 -13.018 1.00 71.53 H new ATOM 134 N LYS A 10 5.384 -2.271 -11.223 1.00 44.12 N ATOM 135 CA LYS A 10 5.897 -3.025 -12.361 1.00 43.34 C ATOM 136 C LYS A 10 4.782 -3.814 -13.040 1.00 71.11 C ATOM 137 O LYS A 10 4.822 -4.051 -14.246 1.00 1.51 O ATOM 138 CB LYS A 10 7.007 -3.976 -11.910 1.00 1.41 C ATOM 139 CG LYS A 10 8.269 -3.265 -11.451 1.00 44.32 C ATOM 140 CD LYS A 10 9.040 -2.685 -12.625 1.00 32.43 C ATOM 141 CE LYS A 10 10.218 -1.845 -12.156 1.00 43.24 C ATOM 142 NZ LYS A 10 10.370 -0.603 -12.965 1.00 2.31 N ATOM 0 H LYS A 10 5.899 -2.417 -10.355 1.00 44.12 H new ATOM 0 HA LYS A 10 6.305 -2.315 -13.080 1.00 43.34 H new ATOM 0 HB2 LYS A 10 6.633 -4.597 -11.096 1.00 1.41 H new ATOM 0 HB3 LYS A 10 7.256 -4.646 -12.733 1.00 1.41 H new ATOM 0 HG2 LYS A 10 8.006 -2.467 -10.757 1.00 44.32 H new ATOM 0 HG3 LYS A 10 8.904 -3.964 -10.907 1.00 44.32 H new ATOM 0 HD2 LYS A 10 9.399 -3.494 -13.262 1.00 32.43 H new ATOM 0 HD3 LYS A 10 8.374 -2.073 -13.233 1.00 32.43 H new ATOM 0 HE2 LYS A 10 10.081 -1.581 -11.107 1.00 43.24 H new ATOM 0 HE3 LYS A 10 11.133 -2.434 -12.220 1.00 43.24 H new ATOM 0 HZ1 LYS A 10 11.183 -0.058 -12.615 1.00 2.31 H new ATOM 0 HZ2 LYS A 10 10.526 -0.855 -13.962 1.00 2.31 H new ATOM 0 HZ3 LYS A 10 9.507 -0.028 -12.884 1.00 2.31 H new ATOM 156 N MET A 11 3.787 -4.214 -12.256 1.00 23.44 N ATOM 157 CA MET A 11 2.658 -4.974 -12.783 1.00 40.21 C ATOM 158 C MET A 11 1.671 -4.056 -13.498 1.00 52.30 C ATOM 159 O MET A 11 1.410 -4.218 -14.689 1.00 31.03 O ATOM 160 CB MET A 11 1.949 -5.724 -11.653 1.00 43.32 C ATOM 161 CG MET A 11 1.086 -6.878 -12.139 1.00 14.33 C ATOM 162 SD MET A 11 0.877 -8.162 -10.890 1.00 34.42 S ATOM 163 CE MET A 11 2.195 -9.288 -11.336 1.00 53.22 C ATOM 0 H MET A 11 3.739 -4.025 -11.255 1.00 23.44 H new ATOM 0 HA MET A 11 3.042 -5.696 -13.503 1.00 40.21 H new ATOM 0 HB2 MET A 11 2.696 -6.107 -10.957 1.00 43.32 H new ATOM 0 HB3 MET A 11 1.326 -5.023 -11.098 1.00 43.32 H new ATOM 0 HG2 MET A 11 0.107 -6.497 -12.430 1.00 14.33 H new ATOM 0 HG3 MET A 11 1.537 -7.314 -13.031 1.00 14.33 H new ATOM 0 HE1 MET A 11 2.195 -10.137 -10.652 1.00 53.22 H new ATOM 0 HE2 MET A 11 2.041 -9.643 -12.355 1.00 53.22 H new ATOM 0 HE3 MET A 11 3.152 -8.771 -11.273 1.00 53.22 H new ATOM 173 N ALA A 12 1.126 -3.094 -12.761 1.00 63.33 N ATOM 174 CA ALA A 12 0.169 -2.150 -13.326 1.00 33.41 C ATOM 175 C ALA A 12 0.716 -1.507 -14.596 1.00 64.21 C ATOM 176 O ALA A 12 -0.022 -1.281 -15.556 1.00 10.01 O ATOM 177 CB ALA A 12 -0.185 -1.081 -12.302 1.00 41.54 C ATOM 0 H ALA A 12 1.330 -2.948 -11.772 1.00 63.33 H new ATOM 0 HA ALA A 12 -0.734 -2.700 -13.589 1.00 33.41 H new ATOM 0 HB1 ALA A 12 -0.900 -0.383 -12.737 1.00 41.54 H new ATOM 0 HB2 ALA A 12 -0.626 -1.551 -11.423 1.00 41.54 H new ATOM 0 HB3 ALA A 12 0.717 -0.542 -12.012 1.00 41.54 H new ATOM 183 N ILE A 13 2.012 -1.216 -14.595 1.00 73.24 N ATOM 184 CA ILE A 13 2.657 -0.600 -15.748 1.00 35.30 C ATOM 185 C ILE A 13 2.867 -1.613 -16.868 1.00 10.33 C ATOM 186 O ILE A 13 2.693 -1.301 -18.045 1.00 31.23 O ATOM 187 CB ILE A 13 4.016 0.020 -15.370 1.00 1.44 C ATOM 188 CG1 ILE A 13 3.827 1.107 -14.309 1.00 55.43 C ATOM 189 CG2 ILE A 13 4.701 0.588 -16.604 1.00 14.52 C ATOM 190 CD1 ILE A 13 3.029 2.295 -14.798 1.00 23.44 C ATOM 0 H ILE A 13 2.636 -1.397 -13.809 1.00 73.24 H new ATOM 0 HA ILE A 13 1.991 0.190 -16.096 1.00 35.30 H new ATOM 0 HB ILE A 13 4.652 -0.761 -14.954 1.00 1.44 H new ATOM 0 HG12 ILE A 13 3.326 0.675 -13.443 1.00 55.43 H new ATOM 0 HG13 ILE A 13 4.806 1.450 -13.973 1.00 55.43 H new ATOM 0 HG21 ILE A 13 5.660 1.022 -16.320 1.00 14.52 H new ATOM 0 HG22 ILE A 13 4.864 -0.209 -17.329 1.00 14.52 H new ATOM 0 HG23 ILE A 13 4.071 1.359 -17.048 1.00 14.52 H new ATOM 0 HD11 ILE A 13 2.934 3.025 -13.994 1.00 23.44 H new ATOM 0 HD12 ILE A 13 3.539 2.752 -15.646 1.00 23.44 H new ATOM 0 HD13 ILE A 13 2.037 1.965 -15.107 1.00 23.44 H new ATOM 202 N LYS A 14 3.242 -2.831 -16.491 1.00 42.45 N ATOM 203 CA LYS A 14 3.474 -3.894 -17.462 1.00 4.21 C ATOM 204 C LYS A 14 2.224 -4.149 -18.300 1.00 54.13 C ATOM 205 O LYS A 14 2.315 -4.544 -19.463 1.00 13.03 O ATOM 206 CB LYS A 14 3.892 -5.183 -16.748 1.00 71.22 C ATOM 207 CG LYS A 14 3.941 -6.396 -17.662 1.00 33.14 C ATOM 208 CD LYS A 14 2.742 -7.304 -17.445 1.00 14.34 C ATOM 209 CE LYS A 14 2.813 -8.008 -16.098 1.00 44.44 C ATOM 210 NZ LYS A 14 3.070 -9.468 -16.249 1.00 34.24 N ATOM 0 H LYS A 14 3.392 -3.106 -15.520 1.00 42.45 H new ATOM 0 HA LYS A 14 4.277 -3.575 -18.126 1.00 4.21 H new ATOM 0 HB2 LYS A 14 4.874 -5.037 -16.298 1.00 71.22 H new ATOM 0 HB3 LYS A 14 3.195 -5.380 -15.934 1.00 71.22 H new ATOM 0 HG2 LYS A 14 3.968 -6.069 -18.701 1.00 33.14 H new ATOM 0 HG3 LYS A 14 4.859 -6.954 -17.479 1.00 33.14 H new ATOM 0 HD2 LYS A 14 1.825 -6.718 -17.502 1.00 14.34 H new ATOM 0 HD3 LYS A 14 2.697 -8.046 -18.243 1.00 14.34 H new ATOM 0 HE2 LYS A 14 3.603 -7.560 -15.495 1.00 44.44 H new ATOM 0 HE3 LYS A 14 1.877 -7.858 -15.560 1.00 44.44 H new ATOM 0 HZ1 LYS A 14 3.111 -9.912 -15.310 1.00 34.24 H new ATOM 0 HZ2 LYS A 14 2.303 -9.900 -16.803 1.00 34.24 H new ATOM 0 HZ3 LYS A 14 3.975 -9.612 -16.740 1.00 34.24 H new ATOM 224 N ARG A 15 1.060 -3.917 -17.703 1.00 12.04 N ATOM 225 CA ARG A 15 -0.207 -4.121 -18.395 1.00 52.31 C ATOM 226 C ARG A 15 -0.648 -2.845 -19.105 1.00 63.24 C ATOM 227 O ARG A 15 -1.106 -2.886 -20.248 1.00 64.15 O ATOM 228 CB ARG A 15 -1.286 -4.566 -17.406 1.00 45.31 C ATOM 229 CG ARG A 15 -1.209 -6.040 -17.044 1.00 4.33 C ATOM 230 CD ARG A 15 -1.619 -6.923 -18.212 1.00 22.20 C ATOM 231 NE ARG A 15 -2.826 -7.691 -17.921 1.00 25.41 N ATOM 232 CZ ARG A 15 -2.838 -8.783 -17.165 1.00 50.30 C ATOM 233 NH1 ARG A 15 -1.713 -9.233 -16.627 1.00 15.32 N ATOM 234 NH2 ARG A 15 -3.977 -9.427 -16.945 1.00 44.54 N ATOM 0 H ARG A 15 0.968 -3.588 -16.742 1.00 12.04 H new ATOM 0 HA ARG A 15 -0.064 -4.902 -19.142 1.00 52.31 H new ATOM 0 HB2 ARG A 15 -1.200 -3.972 -16.496 1.00 45.31 H new ATOM 0 HB3 ARG A 15 -2.267 -4.356 -17.832 1.00 45.31 H new ATOM 0 HG2 ARG A 15 -0.193 -6.288 -16.738 1.00 4.33 H new ATOM 0 HG3 ARG A 15 -1.856 -6.240 -16.190 1.00 4.33 H new ATOM 0 HD2 ARG A 15 -1.787 -6.304 -19.093 1.00 22.20 H new ATOM 0 HD3 ARG A 15 -0.804 -7.606 -18.453 1.00 22.20 H new ATOM 0 HE ARG A 15 -3.709 -7.371 -18.320 1.00 25.41 H new ATOM 0 HH11 ARG A 15 -0.835 -8.740 -16.793 1.00 15.32 H new ATOM 0 HH12 ARG A 15 -1.725 -10.072 -16.047 1.00 15.32 H new ATOM 0 HH21 ARG A 15 -4.845 -9.084 -17.357 1.00 44.54 H new ATOM 0 HH22 ARG A 15 -3.985 -10.265 -16.364 1.00 44.54 H new ATOM 248 N CYS A 16 -0.510 -1.714 -18.422 1.00 45.23 N ATOM 249 CA CYS A 16 -0.895 -0.426 -18.988 1.00 24.20 C ATOM 250 C CYS A 16 -0.178 -0.177 -20.311 1.00 75.10 C ATOM 251 O CYS A 16 -0.664 0.569 -21.161 1.00 11.31 O ATOM 252 CB CYS A 16 -0.583 0.701 -18.003 1.00 42.20 C ATOM 253 SG CYS A 16 -1.938 1.089 -16.871 1.00 31.12 S ATOM 0 H CYS A 16 -0.134 -1.663 -17.475 1.00 45.23 H new ATOM 0 HA CYS A 16 -1.968 -0.446 -19.177 1.00 24.20 H new ATOM 0 HB2 CYS A 16 0.296 0.426 -17.420 1.00 42.20 H new ATOM 0 HB3 CYS A 16 -0.325 1.599 -18.565 1.00 42.20 H new ATOM 0 HG CYS A 16 -1.495 1.838 -15.905 1.00 31.12 H new ATOM 259 N SER A 17 0.982 -0.805 -20.476 1.00 73.44 N ATOM 260 CA SER A 17 1.770 -0.645 -21.693 1.00 12.33 C ATOM 261 C SER A 17 0.972 -1.082 -22.917 1.00 71.35 C ATOM 262 O SER A 17 1.267 -0.675 -24.041 1.00 35.50 O ATOM 263 CB SER A 17 3.064 -1.458 -21.597 1.00 60.45 C ATOM 264 OG SER A 17 2.789 -2.830 -21.373 1.00 33.34 O ATOM 0 H SER A 17 1.397 -1.428 -19.783 1.00 73.44 H new ATOM 0 HA SER A 17 2.019 0.411 -21.801 1.00 12.33 H new ATOM 0 HB2 SER A 17 3.638 -1.344 -22.517 1.00 60.45 H new ATOM 0 HB3 SER A 17 3.681 -1.071 -20.786 1.00 60.45 H new ATOM 0 HG SER A 17 2.904 -3.036 -20.422 1.00 33.34 H new ATOM 270 N ASN A 18 -0.040 -1.912 -22.692 1.00 34.14 N ATOM 271 CA ASN A 18 -0.882 -2.405 -23.776 1.00 54.15 C ATOM 272 C ASN A 18 -2.145 -1.559 -23.912 1.00 13.41 C ATOM 273 O ASN A 18 -3.183 -2.042 -24.363 1.00 3.43 O ATOM 274 CB ASN A 18 -1.258 -3.868 -23.534 1.00 21.02 C ATOM 275 CG ASN A 18 -0.161 -4.825 -23.958 1.00 70.43 C ATOM 276 OD1 ASN A 18 0.823 -5.015 -23.244 1.00 45.22 O ATOM 277 ND2 ASN A 18 -0.327 -5.432 -25.128 1.00 1.42 N ATOM 0 H ASN A 18 -0.298 -2.258 -21.768 1.00 34.14 H new ATOM 0 HA ASN A 18 -0.315 -2.332 -24.704 1.00 54.15 H new ATOM 0 HB2 ASN A 18 -1.475 -4.014 -22.476 1.00 21.02 H new ATOM 0 HB3 ASN A 18 -2.171 -4.101 -24.082 1.00 21.02 H new ATOM 0 HD21 ASN A 18 0.378 -6.086 -25.468 1.00 1.42 H new ATOM 0 HD22 ASN A 18 -1.159 -5.244 -25.687 1.00 1.42 H new ATOM 284 N VAL A 19 -2.048 -0.294 -23.519 1.00 75.24 N ATOM 285 CA VAL A 19 -3.181 0.621 -23.598 1.00 74.13 C ATOM 286 C VAL A 19 -2.897 1.766 -24.565 1.00 43.31 C ATOM 287 O VAL A 19 -1.758 2.210 -24.700 1.00 3.40 O ATOM 288 CB VAL A 19 -3.528 1.205 -22.216 1.00 52.02 C ATOM 289 CG1 VAL A 19 -4.766 2.085 -22.304 1.00 31.33 C ATOM 290 CG2 VAL A 19 -3.726 0.090 -21.201 1.00 64.22 C ATOM 0 H VAL A 19 -1.196 0.122 -23.142 1.00 75.24 H new ATOM 0 HA VAL A 19 -4.030 0.043 -23.963 1.00 74.13 H new ATOM 0 HB VAL A 19 -2.695 1.824 -21.882 1.00 52.02 H new ATOM 0 HG11 VAL A 19 -4.996 2.489 -21.318 1.00 31.33 H new ATOM 0 HG12 VAL A 19 -4.581 2.905 -22.998 1.00 31.33 H new ATOM 0 HG13 VAL A 19 -5.609 1.492 -22.659 1.00 31.33 H new ATOM 0 HG21 VAL A 19 -3.971 0.521 -20.230 1.00 64.22 H new ATOM 0 HG22 VAL A 19 -4.540 -0.558 -21.526 1.00 64.22 H new ATOM 0 HG23 VAL A 19 -2.809 -0.494 -21.118 1.00 64.22 H new ATOM 300 N ALA A 20 -3.942 2.238 -25.235 1.00 60.52 N ATOM 301 CA ALA A 20 -3.807 3.334 -26.188 1.00 43.31 C ATOM 302 C ALA A 20 -4.221 4.661 -25.562 1.00 11.40 C ATOM 303 O ALA A 20 -5.086 4.703 -24.688 1.00 71.55 O ATOM 304 CB ALA A 20 -4.634 3.055 -27.434 1.00 25.41 C ATOM 0 H ALA A 20 -4.892 1.879 -25.136 1.00 60.52 H new ATOM 0 HA ALA A 20 -2.757 3.408 -26.471 1.00 43.31 H new ATOM 0 HB1 ALA A 20 -4.524 3.881 -28.136 1.00 25.41 H new ATOM 0 HB2 ALA A 20 -4.288 2.133 -27.901 1.00 25.41 H new ATOM 0 HB3 ALA A 20 -5.683 2.951 -27.158 1.00 25.41 H new ATOM 310 N VAL A 21 -3.596 5.744 -26.015 1.00 2.22 N ATOM 311 CA VAL A 21 -3.900 7.074 -25.499 1.00 5.43 C ATOM 312 C VAL A 21 -5.377 7.406 -25.675 1.00 24.33 C ATOM 313 O VAL A 21 -5.937 8.208 -24.929 1.00 2.04 O ATOM 314 CB VAL A 21 -3.054 8.154 -26.199 1.00 21.13 C ATOM 315 CG1 VAL A 21 -1.571 7.863 -26.031 1.00 4.52 C ATOM 316 CG2 VAL A 21 -3.424 8.248 -27.671 1.00 44.30 C ATOM 0 H VAL A 21 -2.877 5.726 -26.738 1.00 2.22 H new ATOM 0 HA VAL A 21 -3.657 7.066 -24.437 1.00 5.43 H new ATOM 0 HB VAL A 21 -3.266 9.116 -25.732 1.00 21.13 H new ATOM 0 HG11 VAL A 21 -0.989 8.637 -26.532 1.00 4.52 H new ATOM 0 HG12 VAL A 21 -1.321 7.851 -24.970 1.00 4.52 H new ATOM 0 HG13 VAL A 21 -1.339 6.893 -26.470 1.00 4.52 H new ATOM 0 HG21 VAL A 21 -2.817 9.016 -28.150 1.00 44.30 H new ATOM 0 HG22 VAL A 21 -3.242 7.288 -28.154 1.00 44.30 H new ATOM 0 HG23 VAL A 21 -4.478 8.508 -27.765 1.00 44.30 H new ATOM 396 N LYS A 28 -2.088 7.048 -31.024 1.00 32.13 N ATOM 397 CA LYS A 28 -0.870 6.340 -30.649 1.00 31.00 C ATOM 398 C LYS A 28 -1.080 5.534 -29.371 1.00 71.20 C ATOM 399 O LYS A 28 -2.156 5.568 -28.772 1.00 63.13 O ATOM 400 CB LYS A 28 0.281 7.331 -30.456 1.00 32.31 C ATOM 401 CG LYS A 28 0.031 8.346 -29.354 1.00 1.12 C ATOM 402 CD LYS A 28 1.175 9.339 -29.241 1.00 51.14 C ATOM 403 CE LYS A 28 1.311 9.875 -27.824 1.00 41.54 C ATOM 404 NZ LYS A 28 2.574 10.642 -27.640 1.00 0.34 N ATOM 0 HA LYS A 28 -0.618 5.651 -31.455 1.00 31.00 H new ATOM 0 HB2 LYS A 28 1.192 6.777 -30.229 1.00 32.31 H new ATOM 0 HB3 LYS A 28 0.455 7.860 -31.393 1.00 32.31 H new ATOM 0 HG2 LYS A 28 -0.898 8.881 -29.554 1.00 1.12 H new ATOM 0 HG3 LYS A 28 -0.098 7.828 -28.404 1.00 1.12 H new ATOM 0 HD2 LYS A 28 2.106 8.858 -29.540 1.00 51.14 H new ATOM 0 HD3 LYS A 28 1.009 10.167 -29.930 1.00 51.14 H new ATOM 0 HE2 LYS A 28 0.460 10.516 -27.595 1.00 41.54 H new ATOM 0 HE3 LYS A 28 1.284 9.045 -27.118 1.00 41.54 H new ATOM 0 HZ1 LYS A 28 2.855 10.612 -26.639 1.00 0.34 H new ATOM 0 HZ2 LYS A 28 3.324 10.220 -28.223 1.00 0.34 H new ATOM 0 HZ3 LYS A 28 2.425 11.630 -27.929 1.00 0.34 H new ATOM 418 N LYS A 29 -0.045 4.812 -28.956 1.00 43.21 N ATOM 419 CA LYS A 29 -0.114 3.999 -27.748 1.00 23.11 C ATOM 420 C LYS A 29 0.344 4.794 -26.530 1.00 54.23 C ATOM 421 O LYS A 29 1.308 5.557 -26.602 1.00 14.52 O ATOM 422 CB LYS A 29 0.746 2.742 -27.903 1.00 33.11 C ATOM 423 CG LYS A 29 2.234 3.033 -28.002 1.00 3.25 C ATOM 424 CD LYS A 29 3.019 1.791 -28.390 1.00 62.31 C ATOM 425 CE LYS A 29 3.251 1.727 -29.893 1.00 14.20 C ATOM 426 NZ LYS A 29 3.838 0.423 -30.307 1.00 65.33 N ATOM 0 H LYS A 29 0.853 4.773 -29.439 1.00 43.21 H new ATOM 0 HA LYS A 29 -1.153 3.704 -27.598 1.00 23.11 H new ATOM 0 HB2 LYS A 29 0.569 2.083 -27.053 1.00 33.11 H new ATOM 0 HB3 LYS A 29 0.429 2.203 -28.796 1.00 33.11 H new ATOM 0 HG2 LYS A 29 2.404 3.818 -28.739 1.00 3.25 H new ATOM 0 HG3 LYS A 29 2.597 3.410 -27.046 1.00 3.25 H new ATOM 0 HD2 LYS A 29 3.978 1.788 -27.872 1.00 62.31 H new ATOM 0 HD3 LYS A 29 2.479 0.901 -28.066 1.00 62.31 H new ATOM 0 HE2 LYS A 29 2.306 1.882 -30.414 1.00 14.20 H new ATOM 0 HE3 LYS A 29 3.916 2.537 -30.193 1.00 14.20 H new ATOM 0 HZ1 LYS A 29 3.981 0.418 -31.337 1.00 65.33 H new ATOM 0 HZ2 LYS A 29 4.752 0.287 -29.830 1.00 65.33 H new ATOM 0 HZ3 LYS A 29 3.192 -0.348 -30.044 1.00 65.33 H new ATOM 440 N PHE A 30 -0.351 4.611 -25.412 1.00 41.22 N ATOM 441 CA PHE A 30 -0.014 5.311 -24.178 1.00 65.10 C ATOM 442 C PHE A 30 1.446 5.080 -23.803 1.00 3.33 C ATOM 443 O PHE A 30 1.803 4.028 -23.272 1.00 32.54 O ATOM 444 CB PHE A 30 -0.926 4.848 -23.040 1.00 34.13 C ATOM 445 CG PHE A 30 -1.725 5.960 -22.422 1.00 13.50 C ATOM 446 CD1 PHE A 30 -1.107 7.134 -22.021 1.00 31.34 C ATOM 447 CD2 PHE A 30 -3.092 5.831 -22.241 1.00 51.23 C ATOM 448 CE1 PHE A 30 -1.838 8.159 -21.452 1.00 31.52 C ATOM 449 CE2 PHE A 30 -3.829 6.853 -21.673 1.00 12.22 C ATOM 450 CZ PHE A 30 -3.202 8.018 -21.276 1.00 51.55 C ATOM 0 H PHE A 30 -1.151 3.983 -25.335 1.00 41.22 H new ATOM 0 HA PHE A 30 -0.163 6.378 -24.342 1.00 65.10 H new ATOM 0 HB2 PHE A 30 -1.609 4.088 -23.419 1.00 34.13 H new ATOM 0 HB3 PHE A 30 -0.319 4.375 -22.268 1.00 34.13 H new ATOM 0 HD1 PHE A 30 -0.042 7.249 -22.155 1.00 31.34 H new ATOM 0 HD2 PHE A 30 -3.588 4.922 -22.547 1.00 51.23 H new ATOM 0 HE1 PHE A 30 -1.344 9.069 -21.145 1.00 31.52 H new ATOM 0 HE2 PHE A 30 -4.895 6.741 -21.540 1.00 12.22 H new ATOM 0 HZ PHE A 30 -3.776 8.817 -20.829 1.00 51.55 H new ATOM 460 N GLY A 31 2.288 6.070 -24.083 1.00 63.42 N ATOM 461 CA GLY A 31 3.700 5.955 -23.769 1.00 24.22 C ATOM 462 C GLY A 31 4.007 6.335 -22.334 1.00 62.13 C ATOM 463 O GLY A 31 3.099 6.492 -21.520 1.00 11.02 O ATOM 0 H GLY A 31 2.017 6.950 -24.522 1.00 63.42 H new ATOM 0 HA2 GLY A 31 4.027 4.931 -23.948 1.00 24.22 H new ATOM 0 HA3 GLY A 31 4.272 6.594 -24.441 1.00 24.22 H new ATOM 467 N GLU A 32 5.292 6.481 -22.025 1.00 1.42 N ATOM 468 CA GLU A 32 5.715 6.843 -20.678 1.00 0.55 C ATOM 469 C GLU A 32 5.378 8.299 -20.373 1.00 71.14 C ATOM 470 O GLU A 32 4.686 8.598 -19.401 1.00 11.45 O ATOM 471 CB GLU A 32 7.219 6.610 -20.512 1.00 20.03 C ATOM 472 CG GLU A 32 7.560 5.298 -19.827 1.00 10.31 C ATOM 473 CD GLU A 32 7.261 5.320 -18.340 1.00 71.04 C ATOM 474 OE1 GLU A 32 6.739 4.310 -17.826 1.00 2.14 O ATOM 475 OE2 GLU A 32 7.550 6.348 -17.692 1.00 22.53 O ATOM 0 H GLU A 32 6.056 6.354 -22.688 1.00 1.42 H new ATOM 0 HA GLU A 32 5.176 6.209 -19.974 1.00 0.55 H new ATOM 0 HB2 GLU A 32 7.692 6.631 -21.494 1.00 20.03 H new ATOM 0 HB3 GLU A 32 7.644 7.432 -19.936 1.00 20.03 H new ATOM 0 HG2 GLU A 32 6.996 4.491 -20.295 1.00 10.31 H new ATOM 0 HG3 GLU A 32 8.617 5.078 -19.978 1.00 10.31 H new ATOM 482 N GLY A 33 5.874 9.203 -21.213 1.00 60.23 N ATOM 483 CA GLY A 33 5.616 10.617 -21.016 1.00 62.45 C ATOM 484 C GLY A 33 4.137 10.925 -20.890 1.00 71.02 C ATOM 485 O GLY A 33 3.753 11.913 -20.266 1.00 54.12 O ATOM 0 H GLY A 33 6.449 8.981 -22.026 1.00 60.23 H new ATOM 0 HA2 GLY A 33 6.132 10.956 -20.118 1.00 62.45 H new ATOM 0 HA3 GLY A 33 6.031 11.179 -21.853 1.00 62.45 H new ATOM 489 N ASN A 34 3.305 10.077 -21.485 1.00 63.34 N ATOM 490 CA ASN A 34 1.859 10.264 -21.438 1.00 41.45 C ATOM 491 C ASN A 34 1.294 9.802 -20.098 1.00 61.15 C ATOM 492 O ASN A 34 0.812 10.610 -19.304 1.00 43.44 O ATOM 493 CB ASN A 34 1.187 9.498 -22.580 1.00 74.51 C ATOM 494 CG ASN A 34 1.545 10.060 -23.942 1.00 44.52 C ATOM 495 OD1 ASN A 34 2.699 9.995 -24.369 1.00 73.34 O ATOM 496 ND2 ASN A 34 0.555 10.613 -24.633 1.00 43.41 N ATOM 0 H ASN A 34 3.607 9.253 -22.006 1.00 63.34 H new ATOM 0 HA ASN A 34 1.651 11.328 -21.552 1.00 41.45 H new ATOM 0 HB2 ASN A 34 1.482 8.450 -22.534 1.00 74.51 H new ATOM 0 HB3 ASN A 34 0.105 9.531 -22.449 1.00 74.51 H new ATOM 0 HD21 ASN A 34 0.735 11.006 -25.557 1.00 43.41 H new ATOM 0 HD22 ASN A 34 -0.386 10.645 -24.240 1.00 43.41 H new ATOM 503 N PHE A 35 1.358 8.497 -19.855 1.00 65.32 N ATOM 504 CA PHE A 35 0.852 7.926 -18.612 1.00 61.34 C ATOM 505 C PHE A 35 1.473 8.621 -17.403 1.00 30.41 C ATOM 506 O PHE A 35 0.855 8.714 -16.342 1.00 23.10 O ATOM 507 CB PHE A 35 1.145 6.426 -18.558 1.00 5.30 C ATOM 508 CG PHE A 35 -0.086 5.571 -18.649 1.00 45.34 C ATOM 509 CD1 PHE A 35 -0.169 4.550 -19.582 1.00 61.20 C ATOM 510 CD2 PHE A 35 -1.160 5.788 -17.801 1.00 23.24 C ATOM 511 CE1 PHE A 35 -1.302 3.761 -19.668 1.00 52.22 C ATOM 512 CE2 PHE A 35 -2.294 5.001 -17.883 1.00 33.31 C ATOM 513 CZ PHE A 35 -2.365 3.988 -18.817 1.00 60.33 C ATOM 0 H PHE A 35 1.755 7.815 -20.502 1.00 65.32 H new ATOM 0 HA PHE A 35 -0.227 8.079 -18.584 1.00 61.34 H new ATOM 0 HB2 PHE A 35 1.819 6.166 -19.374 1.00 5.30 H new ATOM 0 HB3 PHE A 35 1.667 6.199 -17.629 1.00 5.30 H new ATOM 0 HD1 PHE A 35 0.660 4.368 -20.250 1.00 61.20 H new ATOM 0 HD2 PHE A 35 -1.111 6.580 -17.068 1.00 23.24 H new ATOM 0 HE1 PHE A 35 -1.355 2.969 -20.400 1.00 52.22 H new ATOM 0 HE2 PHE A 35 -3.124 5.179 -17.216 1.00 33.31 H new ATOM 0 HZ PHE A 35 -3.251 3.374 -18.882 1.00 60.33 H new ATOM 523 N ARG A 36 2.698 9.106 -17.571 1.00 72.44 N ATOM 524 CA ARG A 36 3.403 9.791 -16.495 1.00 52.42 C ATOM 525 C ARG A 36 2.867 11.207 -16.308 1.00 0.21 C ATOM 526 O ARG A 36 2.567 11.625 -15.189 1.00 24.34 O ATOM 527 CB ARG A 36 4.904 9.836 -16.788 1.00 15.23 C ATOM 528 CG ARG A 36 5.754 10.146 -15.567 1.00 34.22 C ATOM 529 CD ARG A 36 7.192 10.456 -15.952 1.00 24.43 C ATOM 530 NE ARG A 36 7.862 11.281 -14.950 1.00 61.20 N ATOM 531 CZ ARG A 36 9.179 11.439 -14.890 1.00 31.30 C ATOM 532 NH1 ARG A 36 9.964 10.832 -15.770 1.00 21.04 N ATOM 533 NH2 ARG A 36 9.714 12.206 -13.949 1.00 4.42 N ATOM 0 H ARG A 36 3.223 9.037 -18.443 1.00 72.44 H new ATOM 0 HA ARG A 36 3.236 9.234 -15.573 1.00 52.42 H new ATOM 0 HB2 ARG A 36 5.214 8.876 -17.202 1.00 15.23 H new ATOM 0 HB3 ARG A 36 5.094 10.589 -17.553 1.00 15.23 H new ATOM 0 HG2 ARG A 36 5.328 10.995 -15.032 1.00 34.22 H new ATOM 0 HG3 ARG A 36 5.734 9.297 -14.884 1.00 34.22 H new ATOM 0 HD2 ARG A 36 7.742 9.524 -16.080 1.00 24.43 H new ATOM 0 HD3 ARG A 36 7.207 10.970 -16.913 1.00 24.43 H new ATOM 0 HE ARG A 36 7.287 11.762 -14.259 1.00 61.20 H new ATOM 0 HH11 ARG A 36 9.556 10.242 -16.495 1.00 21.04 H new ATOM 0 HH12 ARG A 36 10.975 10.955 -15.721 1.00 21.04 H new ATOM 0 HH21 ARG A 36 9.114 12.675 -13.271 1.00 4.42 H new ATOM 0 HH22 ARG A 36 10.726 12.327 -13.904 1.00 4.42 H new ATOM 547 N TRP A 37 2.751 11.940 -17.408 1.00 64.40 N ATOM 548 CA TRP A 37 2.251 13.310 -17.366 1.00 14.21 C ATOM 549 C TRP A 37 0.887 13.371 -16.690 1.00 23.30 C ATOM 550 O TRP A 37 0.539 14.369 -16.061 1.00 74.31 O ATOM 551 CB TRP A 37 2.161 13.886 -18.779 1.00 73.25 C ATOM 552 CG TRP A 37 1.386 15.167 -18.850 1.00 23.04 C ATOM 553 CD1 TRP A 37 1.895 16.433 -18.861 1.00 74.42 C ATOM 554 CD2 TRP A 37 -0.038 15.304 -18.918 1.00 50.21 C ATOM 555 NE1 TRP A 37 0.874 17.351 -18.932 1.00 50.51 N ATOM 556 CE2 TRP A 37 -0.321 16.683 -18.969 1.00 32.14 C ATOM 557 CE3 TRP A 37 -1.100 14.397 -18.942 1.00 72.42 C ATOM 558 CZ2 TRP A 37 -1.623 17.173 -19.040 1.00 54.55 C ATOM 559 CZ3 TRP A 37 -2.391 14.885 -19.014 1.00 42.12 C ATOM 560 CH2 TRP A 37 -2.643 16.262 -19.063 1.00 30.32 C ATOM 0 H TRP A 37 2.996 11.609 -18.341 1.00 64.40 H new ATOM 0 HA TRP A 37 2.951 13.908 -16.783 1.00 14.21 H new ATOM 0 HB2 TRP A 37 3.168 14.058 -19.159 1.00 73.25 H new ATOM 0 HB3 TRP A 37 1.694 13.151 -19.434 1.00 73.25 H new ATOM 0 HD1 TRP A 37 2.946 16.678 -18.820 1.00 74.42 H new ATOM 0 HE1 TRP A 37 0.988 18.364 -18.954 1.00 50.51 H new ATOM 0 HE3 TRP A 37 -0.916 13.334 -18.905 1.00 72.42 H new ATOM 0 HZ2 TRP A 37 -1.820 18.234 -19.076 1.00 54.55 H new ATOM 0 HZ3 TRP A 37 -3.220 14.193 -19.033 1.00 42.12 H new ATOM 0 HH2 TRP A 37 -3.663 16.611 -19.120 1.00 30.32 H new ATOM 571 N ALA A 38 0.116 12.296 -16.824 1.00 14.03 N ATOM 572 CA ALA A 38 -1.211 12.227 -16.224 1.00 31.01 C ATOM 573 C ALA A 38 -1.124 11.906 -14.736 1.00 22.02 C ATOM 574 O ALA A 38 -1.495 12.724 -13.893 1.00 3.33 O ATOM 575 CB ALA A 38 -2.061 11.189 -16.942 1.00 74.22 C ATOM 0 H ALA A 38 0.388 11.461 -17.343 1.00 14.03 H new ATOM 0 HA ALA A 38 -1.683 13.204 -16.331 1.00 31.01 H new ATOM 0 HB1 ALA A 38 -3.049 11.148 -16.484 1.00 74.22 H new ATOM 0 HB2 ALA A 38 -2.159 11.463 -17.992 1.00 74.22 H new ATOM 0 HB3 ALA A 38 -1.584 10.212 -16.865 1.00 74.22 H new ATOM 581 N ILE A 39 -0.634 10.711 -14.421 1.00 35.15 N ATOM 582 CA ILE A 39 -0.500 10.284 -13.033 1.00 45.33 C ATOM 583 C ILE A 39 0.238 11.330 -12.206 1.00 14.33 C ATOM 584 O ILE A 39 -0.082 11.550 -11.037 1.00 23.21 O ATOM 585 CB ILE A 39 0.248 8.941 -12.929 1.00 33.21 C ATOM 586 CG1 ILE A 39 0.342 8.498 -11.467 1.00 42.33 C ATOM 587 CG2 ILE A 39 1.634 9.058 -13.543 1.00 52.51 C ATOM 588 CD1 ILE A 39 -0.244 7.127 -11.213 1.00 62.24 C ATOM 0 H ILE A 39 -0.324 10.023 -15.107 1.00 35.15 H new ATOM 0 HA ILE A 39 -1.509 10.160 -12.640 1.00 45.33 H new ATOM 0 HB ILE A 39 -0.310 8.186 -13.483 1.00 33.21 H new ATOM 0 HG12 ILE A 39 1.388 8.499 -11.162 1.00 42.33 H new ATOM 0 HG13 ILE A 39 -0.174 9.226 -10.841 1.00 42.33 H new ATOM 0 HG21 ILE A 39 2.150 8.101 -13.462 1.00 52.51 H new ATOM 0 HG22 ILE A 39 1.544 9.334 -14.594 1.00 52.51 H new ATOM 0 HG23 ILE A 39 2.203 9.823 -13.014 1.00 52.51 H new ATOM 0 HD11 ILE A 39 -0.143 6.878 -10.157 1.00 62.24 H new ATOM 0 HD12 ILE A 39 -1.299 7.126 -11.487 1.00 62.24 H new ATOM 0 HD13 ILE A 39 0.287 6.388 -11.812 1.00 62.24 H new ATOM 600 N ARG A 40 1.227 11.973 -12.818 1.00 11.11 N ATOM 601 CA ARG A 40 2.010 12.997 -12.137 1.00 23.14 C ATOM 602 C ARG A 40 1.179 14.258 -11.912 1.00 5.22 C ATOM 603 O ARG A 40 1.022 14.715 -10.781 1.00 50.24 O ATOM 604 CB ARG A 40 3.261 13.336 -12.949 1.00 72.02 C ATOM 605 CG ARG A 40 4.305 12.230 -12.951 1.00 30.43 C ATOM 606 CD ARG A 40 4.964 12.084 -11.588 1.00 61.42 C ATOM 607 NE ARG A 40 6.292 11.484 -11.685 1.00 32.24 N ATOM 608 CZ ARG A 40 6.500 10.195 -11.925 1.00 62.15 C ATOM 609 NH1 ARG A 40 5.473 9.374 -12.095 1.00 33.41 N ATOM 610 NH2 ARG A 40 7.739 9.725 -11.999 1.00 43.30 N ATOM 0 H ARG A 40 1.505 11.803 -13.784 1.00 11.11 H new ATOM 0 HA ARG A 40 2.311 12.603 -11.166 1.00 23.14 H new ATOM 0 HB2 ARG A 40 2.969 13.550 -13.977 1.00 72.02 H new ATOM 0 HB3 ARG A 40 3.708 14.246 -12.548 1.00 72.02 H new ATOM 0 HG2 ARG A 40 3.837 11.287 -13.233 1.00 30.43 H new ATOM 0 HG3 ARG A 40 5.064 12.446 -13.702 1.00 30.43 H new ATOM 0 HD2 ARG A 40 5.042 13.063 -11.116 1.00 61.42 H new ATOM 0 HD3 ARG A 40 4.334 11.469 -10.945 1.00 61.42 H new ATOM 0 HE ARG A 40 7.104 12.089 -11.562 1.00 32.24 H new ATOM 0 HH11 ARG A 40 4.519 9.732 -12.042 1.00 33.41 H new ATOM 0 HH12 ARG A 40 5.636 8.384 -12.279 1.00 33.41 H new ATOM 0 HH21 ARG A 40 8.532 10.354 -11.871 1.00 43.30 H new ATOM 0 HH22 ARG A 40 7.899 8.735 -12.183 1.00 43.30 H new ATOM 624 N MET A 41 0.651 14.812 -12.998 1.00 61.41 N ATOM 625 CA MET A 41 -0.164 16.020 -12.919 1.00 5.41 C ATOM 626 C MET A 41 -1.329 15.826 -11.953 1.00 11.32 C ATOM 627 O MET A 41 -1.736 16.760 -11.263 1.00 73.14 O ATOM 628 CB MET A 41 -0.693 16.395 -14.305 1.00 12.12 C ATOM 629 CG MET A 41 -1.452 17.712 -14.329 1.00 12.42 C ATOM 630 SD MET A 41 -0.373 19.139 -14.108 1.00 14.42 S ATOM 631 CE MET A 41 0.364 19.263 -15.735 1.00 71.50 C ATOM 0 H MET A 41 0.772 14.445 -13.942 1.00 61.41 H new ATOM 0 HA MET A 41 0.464 16.829 -12.546 1.00 5.41 H new ATOM 0 HB2 MET A 41 0.144 16.455 -15.001 1.00 12.12 H new ATOM 0 HB3 MET A 41 -1.348 15.601 -14.662 1.00 12.12 H new ATOM 0 HG2 MET A 41 -1.981 17.805 -15.277 1.00 12.42 H new ATOM 0 HG3 MET A 41 -2.206 17.707 -13.542 1.00 12.42 H new ATOM 0 HE1 MET A 41 1.447 19.335 -15.639 1.00 71.50 H new ATOM 0 HE2 MET A 41 0.110 18.378 -16.318 1.00 71.50 H new ATOM 0 HE3 MET A 41 -0.016 20.151 -16.240 1.00 71.50 H new ATOM 641 N ALA A 42 -1.861 14.610 -11.910 1.00 4.40 N ATOM 642 CA ALA A 42 -2.978 14.294 -11.028 1.00 53.22 C ATOM 643 C ALA A 42 -2.560 14.374 -9.563 1.00 43.52 C ATOM 644 O ALA A 42 -3.248 14.980 -8.744 1.00 12.11 O ATOM 645 CB ALA A 42 -3.529 12.912 -11.346 1.00 53.33 C ATOM 0 H ALA A 42 -1.536 13.826 -12.476 1.00 4.40 H new ATOM 0 HA ALA A 42 -3.762 15.033 -11.197 1.00 53.22 H new ATOM 0 HB1 ALA A 42 -4.362 12.690 -10.679 1.00 53.33 H new ATOM 0 HB2 ALA A 42 -3.875 12.887 -12.379 1.00 53.33 H new ATOM 0 HB3 ALA A 42 -2.745 12.167 -11.207 1.00 53.33 H new ATOM 651 N ASN A 43 -1.426 13.758 -9.242 1.00 1.24 N ATOM 652 CA ASN A 43 -0.918 13.757 -7.875 1.00 73.04 C ATOM 653 C ASN A 43 -0.648 15.180 -7.396 1.00 34.02 C ATOM 654 O ASN A 43 -1.127 15.592 -6.339 1.00 53.11 O ATOM 655 CB ASN A 43 0.364 12.927 -7.786 1.00 4.14 C ATOM 656 CG ASN A 43 0.098 11.499 -7.347 1.00 60.34 C ATOM 657 OD1 ASN A 43 -1.052 11.065 -7.276 1.00 42.51 O ATOM 658 ND2 ASN A 43 1.163 10.763 -7.052 1.00 25.20 N ATOM 0 H ASN A 43 -0.842 13.254 -9.909 1.00 1.24 H new ATOM 0 HA ASN A 43 -1.677 13.312 -7.232 1.00 73.04 H new ATOM 0 HB2 ASN A 43 0.857 12.920 -8.758 1.00 4.14 H new ATOM 0 HB3 ASN A 43 1.051 13.398 -7.083 1.00 4.14 H new ATOM 0 HD21 ASN A 43 1.047 9.795 -6.752 1.00 25.20 H new ATOM 0 HD22 ASN A 43 2.097 11.165 -7.126 1.00 25.20 H new ATOM 665 N VAL A 44 0.121 15.928 -8.180 1.00 55.53 N ATOM 666 CA VAL A 44 0.454 17.306 -7.837 1.00 32.14 C ATOM 667 C VAL A 44 -0.797 18.175 -7.784 1.00 75.32 C ATOM 668 O VAL A 44 -0.886 19.105 -6.981 1.00 22.34 O ATOM 669 CB VAL A 44 1.445 17.913 -8.848 1.00 2.32 C ATOM 670 CG1 VAL A 44 0.835 17.946 -10.240 1.00 64.05 C ATOM 671 CG2 VAL A 44 1.866 19.307 -8.408 1.00 52.23 C ATOM 0 H VAL A 44 0.526 15.603 -9.058 1.00 55.53 H new ATOM 0 HA VAL A 44 0.920 17.284 -6.852 1.00 32.14 H new ATOM 0 HB VAL A 44 2.334 17.283 -8.883 1.00 2.32 H new ATOM 0 HG11 VAL A 44 1.550 18.378 -10.940 1.00 64.05 H new ATOM 0 HG12 VAL A 44 0.588 16.932 -10.553 1.00 64.05 H new ATOM 0 HG13 VAL A 44 -0.071 18.552 -10.226 1.00 64.05 H new ATOM 0 HG21 VAL A 44 2.566 19.722 -9.133 1.00 52.23 H new ATOM 0 HG22 VAL A 44 0.988 19.949 -8.344 1.00 52.23 H new ATOM 0 HG23 VAL A 44 2.346 19.251 -7.431 1.00 52.23 H new ATOM 681 N SER A 45 -1.763 17.868 -8.644 1.00 70.15 N ATOM 682 CA SER A 45 -3.008 18.624 -8.699 1.00 35.54 C ATOM 683 C SER A 45 -3.787 18.481 -7.395 1.00 22.04 C ATOM 684 O SER A 45 -4.588 19.345 -7.036 1.00 51.04 O ATOM 685 CB SER A 45 -3.866 18.151 -9.873 1.00 73.13 C ATOM 686 OG SER A 45 -3.426 18.727 -11.091 1.00 11.13 O ATOM 0 H SER A 45 -1.707 17.100 -9.313 1.00 70.15 H new ATOM 0 HA SER A 45 -2.760 19.676 -8.841 1.00 35.54 H new ATOM 0 HB2 SER A 45 -3.823 17.064 -9.945 1.00 73.13 H new ATOM 0 HB3 SER A 45 -4.908 18.418 -9.697 1.00 73.13 H new ATOM 0 HG SER A 45 -2.559 18.343 -11.340 1.00 11.13 H new ATOM 692 N THR A 46 -3.547 17.380 -6.687 1.00 62.41 N ATOM 693 CA THR A 46 -4.227 17.121 -5.424 1.00 1.23 C ATOM 694 C THR A 46 -3.359 17.530 -4.239 1.00 71.13 C ATOM 695 O THR A 46 -3.510 17.008 -3.136 1.00 25.32 O ATOM 696 CB THR A 46 -4.601 15.634 -5.282 1.00 62.12 C ATOM 697 OG1 THR A 46 -3.541 14.812 -5.785 1.00 32.43 O ATOM 698 CG2 THR A 46 -5.887 15.325 -6.032 1.00 21.32 C ATOM 0 H THR A 46 -2.887 16.655 -6.967 1.00 62.41 H new ATOM 0 HA THR A 46 -5.139 17.719 -5.427 1.00 1.23 H new ATOM 0 HB THR A 46 -4.756 15.421 -4.224 1.00 62.12 H new ATOM 0 HG1 THR A 46 -2.678 15.231 -5.583 1.00 32.43 H new ATOM 0 HG21 THR A 46 -6.131 14.269 -5.917 1.00 21.32 H new ATOM 0 HG22 THR A 46 -6.698 15.931 -5.628 1.00 21.32 H new ATOM 0 HG23 THR A 46 -5.755 15.554 -7.090 1.00 21.32 H new ATOM 706 N GLY A 47 -2.448 18.469 -4.475 1.00 72.13 N ATOM 707 CA GLY A 47 -1.569 18.933 -3.417 1.00 31.45 C ATOM 708 C GLY A 47 -0.788 17.803 -2.776 1.00 14.41 C ATOM 709 O GLY A 47 -0.361 17.910 -1.626 1.00 3.24 O ATOM 0 H GLY A 47 -2.303 18.917 -5.380 1.00 72.13 H new ATOM 0 HA2 GLY A 47 -0.873 19.667 -3.823 1.00 31.45 H new ATOM 0 HA3 GLY A 47 -2.160 19.441 -2.655 1.00 31.45 H new ATOM 713 N ARG A 48 -0.599 16.718 -3.521 1.00 33.44 N ATOM 714 CA ARG A 48 0.134 15.564 -3.016 1.00 23.01 C ATOM 715 C ARG A 48 1.639 15.781 -3.135 1.00 64.13 C ATOM 716 O ARG A 48 2.242 15.464 -4.161 1.00 71.12 O ATOM 717 CB ARG A 48 -0.273 14.302 -3.781 1.00 51.21 C ATOM 718 CG ARG A 48 -0.240 13.040 -2.934 1.00 30.21 C ATOM 719 CD ARG A 48 -1.430 12.971 -1.991 1.00 30.35 C ATOM 720 NE ARG A 48 -1.047 13.225 -0.605 1.00 34.40 N ATOM 721 CZ ARG A 48 -1.843 12.994 0.432 1.00 21.23 C ATOM 722 NH1 ARG A 48 -3.062 12.506 0.242 1.00 0.20 N ATOM 723 NH2 ARG A 48 -1.422 13.250 1.665 1.00 71.34 N ATOM 0 H ARG A 48 -0.943 16.615 -4.476 1.00 33.44 H new ATOM 0 HA ARG A 48 -0.115 15.439 -1.962 1.00 23.01 H new ATOM 0 HB2 ARG A 48 -1.279 14.437 -4.178 1.00 51.21 H new ATOM 0 HB3 ARG A 48 0.393 14.174 -4.635 1.00 51.21 H new ATOM 0 HG2 ARG A 48 -0.238 12.165 -3.583 1.00 30.21 H new ATOM 0 HG3 ARG A 48 0.685 13.012 -2.357 1.00 30.21 H new ATOM 0 HD2 ARG A 48 -2.179 13.700 -2.299 1.00 30.35 H new ATOM 0 HD3 ARG A 48 -1.894 11.987 -2.064 1.00 30.35 H new ATOM 0 HE ARG A 48 -0.116 13.601 -0.424 1.00 34.40 H new ATOM 0 HH11 ARG A 48 -3.390 12.307 -0.703 1.00 0.20 H new ATOM 0 HH12 ARG A 48 -3.671 12.330 1.041 1.00 0.20 H new ATOM 0 HH21 ARG A 48 -0.486 13.625 1.817 1.00 71.34 H new ATOM 0 HH22 ARG A 48 -2.035 13.072 2.461 1.00 71.34 H new ATOM 773 N ASP A 52 3.672 9.620 -4.905 1.00 31.14 N ATOM 774 CA ASP A 52 3.841 8.171 -4.877 1.00 62.23 C ATOM 775 C ASP A 52 2.774 7.484 -5.725 1.00 73.22 C ATOM 776 O ASP A 52 1.904 8.141 -6.297 1.00 71.31 O ATOM 777 CB ASP A 52 3.776 7.656 -3.438 1.00 41.15 C ATOM 778 CG ASP A 52 4.526 8.549 -2.469 1.00 50.12 C ATOM 779 OD1 ASP A 52 3.964 8.868 -1.401 1.00 34.22 O ATOM 780 OD2 ASP A 52 5.674 8.927 -2.780 1.00 74.01 O ATOM 0 HA ASP A 52 4.820 7.935 -5.295 1.00 62.23 H new ATOM 0 HB2 ASP A 52 2.734 7.583 -3.128 1.00 41.15 H new ATOM 0 HB3 ASP A 52 4.192 6.649 -3.396 1.00 41.15 H new ATOM 785 N ILE A 53 2.850 6.159 -5.801 1.00 74.35 N ATOM 786 CA ILE A 53 1.891 5.385 -6.579 1.00 44.34 C ATOM 787 C ILE A 53 1.648 4.018 -5.948 1.00 63.12 C ATOM 788 O ILE A 53 2.121 2.989 -6.433 1.00 33.10 O ATOM 789 CB ILE A 53 2.370 5.189 -8.030 1.00 10.32 C ATOM 790 CG1 ILE A 53 2.657 6.543 -8.682 1.00 62.42 C ATOM 791 CG2 ILE A 53 1.332 4.418 -8.831 1.00 41.35 C ATOM 792 CD1 ILE A 53 3.147 6.435 -10.109 1.00 23.02 C ATOM 0 H ILE A 53 3.564 5.600 -5.334 1.00 74.35 H new ATOM 0 HA ILE A 53 0.960 5.951 -6.586 1.00 44.34 H new ATOM 0 HB ILE A 53 3.293 4.610 -8.018 1.00 10.32 H new ATOM 0 HG12 ILE A 53 1.749 7.146 -8.663 1.00 62.42 H new ATOM 0 HG13 ILE A 53 3.403 7.072 -8.089 1.00 62.42 H new ATOM 0 HG21 ILE A 53 1.685 4.288 -9.854 1.00 41.35 H new ATOM 0 HG22 ILE A 53 1.173 3.441 -8.375 1.00 41.35 H new ATOM 0 HG23 ILE A 53 0.393 4.972 -8.839 1.00 41.35 H new ATOM 0 HD11 ILE A 53 3.330 7.433 -10.507 1.00 23.02 H new ATOM 0 HD12 ILE A 53 4.072 5.859 -10.133 1.00 23.02 H new ATOM 0 HD13 ILE A 53 2.392 5.935 -10.716 1.00 23.02 H new ATOM 804 N PRO A 54 0.891 4.004 -4.841 1.00 73.33 N ATOM 805 CA PRO A 54 0.565 2.770 -4.120 1.00 22.23 C ATOM 806 C PRO A 54 -0.391 1.877 -4.902 1.00 62.24 C ATOM 807 O PRO A 54 -0.548 0.697 -4.591 1.00 55.41 O ATOM 808 CB PRO A 54 -0.103 3.274 -2.838 1.00 52.12 C ATOM 809 CG PRO A 54 -0.656 4.609 -3.199 1.00 30.20 C ATOM 810 CD PRO A 54 0.294 5.193 -4.208 1.00 13.51 C ATOM 0 HA PRO A 54 1.448 2.156 -3.944 1.00 22.23 H new ATOM 0 HB2 PRO A 54 -0.890 2.595 -2.508 1.00 52.12 H new ATOM 0 HB3 PRO A 54 0.615 3.350 -2.021 1.00 52.12 H new ATOM 0 HG2 PRO A 54 -1.659 4.516 -3.616 1.00 30.20 H new ATOM 0 HG3 PRO A 54 -0.734 5.249 -2.320 1.00 30.20 H new ATOM 0 HD2 PRO A 54 -0.225 5.817 -4.935 1.00 13.51 H new ATOM 0 HD3 PRO A 54 1.050 5.818 -3.733 1.00 13.51 H new ATOM 818 N GLU A 55 -1.027 2.447 -5.921 1.00 71.13 N ATOM 819 CA GLU A 55 -1.968 1.701 -6.748 1.00 31.24 C ATOM 820 C GLU A 55 -3.069 1.079 -5.893 1.00 40.00 C ATOM 821 O GLU A 55 -2.962 -0.069 -5.462 1.00 21.14 O ATOM 822 CB GLU A 55 -1.238 0.609 -7.532 1.00 53.52 C ATOM 823 CG GLU A 55 -1.119 0.902 -9.018 1.00 75.40 C ATOM 824 CD GLU A 55 -1.960 -0.033 -9.866 1.00 54.41 C ATOM 825 OE1 GLU A 55 -2.567 0.443 -10.849 1.00 14.21 O ATOM 826 OE2 GLU A 55 -2.010 -1.239 -9.547 1.00 63.21 O ATOM 0 H GLU A 55 -0.908 3.423 -6.193 1.00 71.13 H new ATOM 0 HA GLU A 55 -2.426 2.397 -7.450 1.00 31.24 H new ATOM 0 HB2 GLU A 55 -0.239 0.480 -7.115 1.00 53.52 H new ATOM 0 HB3 GLU A 55 -1.764 -0.336 -7.398 1.00 53.52 H new ATOM 0 HG2 GLU A 55 -1.424 1.931 -9.207 1.00 75.40 H new ATOM 0 HG3 GLU A 55 -0.075 0.819 -9.319 1.00 75.40 H new ATOM 833 N THR A 56 -4.127 1.847 -5.651 1.00 24.53 N ATOM 834 CA THR A 56 -5.247 1.374 -4.847 1.00 5.20 C ATOM 835 C THR A 56 -6.551 2.037 -5.277 1.00 3.33 C ATOM 836 O THR A 56 -6.610 3.253 -5.460 1.00 62.14 O ATOM 837 CB THR A 56 -5.016 1.643 -3.349 1.00 71.41 C ATOM 838 OG1 THR A 56 -4.961 3.053 -3.107 1.00 22.42 O ATOM 839 CG2 THR A 56 -3.726 0.992 -2.874 1.00 31.21 C ATOM 0 H THR A 56 -4.231 2.800 -6.001 1.00 24.53 H new ATOM 0 HA THR A 56 -5.320 0.298 -5.008 1.00 5.20 H new ATOM 0 HB THR A 56 -5.848 1.211 -2.793 1.00 71.41 H new ATOM 0 HG1 THR A 56 -4.816 3.215 -2.152 1.00 22.42 H new ATOM 0 HG21 THR A 56 -3.585 1.196 -1.813 1.00 31.21 H new ATOM 0 HG22 THR A 56 -3.782 -0.085 -3.032 1.00 31.21 H new ATOM 0 HG23 THR A 56 -2.885 1.398 -3.437 1.00 31.21 H new ATOM 847 N LEU A 57 -7.595 1.230 -5.434 1.00 41.04 N ATOM 848 CA LEU A 57 -8.900 1.739 -5.841 1.00 23.53 C ATOM 849 C LEU A 57 -9.335 2.899 -4.950 1.00 41.00 C ATOM 850 O LEU A 57 -10.042 3.804 -5.392 1.00 45.25 O ATOM 851 CB LEU A 57 -9.944 0.622 -5.790 1.00 34.12 C ATOM 852 CG LEU A 57 -9.623 -0.634 -6.598 1.00 43.01 C ATOM 853 CD1 LEU A 57 -10.663 -1.714 -6.343 1.00 2.10 C ATOM 854 CD2 LEU A 57 -9.543 -0.307 -8.082 1.00 4.13 C ATOM 0 H LEU A 57 -7.563 0.221 -5.286 1.00 41.04 H new ATOM 0 HA LEU A 57 -8.817 2.103 -6.865 1.00 23.53 H new ATOM 0 HB2 LEU A 57 -10.087 0.333 -4.749 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -10.894 1.024 -6.143 1.00 34.12 H new ATOM 0 HG LEU A 57 -8.652 -1.011 -6.277 1.00 43.01 H new ATOM 0 HD11 LEU A 57 -10.417 -2.601 -6.927 1.00 2.10 H new ATOM 0 HD12 LEU A 57 -10.671 -1.968 -5.283 1.00 2.10 H new ATOM 0 HD13 LEU A 57 -11.647 -1.348 -6.636 1.00 2.10 H new ATOM 0 HD21 LEU A 57 -9.314 -1.213 -8.642 1.00 4.13 H new ATOM 0 HD22 LEU A 57 -10.499 0.095 -8.418 1.00 4.13 H new ATOM 0 HD23 LEU A 57 -8.759 0.432 -8.250 1.00 4.13 H new ATOM 866 N ASP A 58 -8.905 2.865 -3.693 1.00 3.44 N ATOM 867 CA ASP A 58 -9.247 3.914 -2.740 1.00 2.42 C ATOM 868 C ASP A 58 -8.510 5.208 -3.069 1.00 70.44 C ATOM 869 O ASP A 58 -9.090 6.293 -3.021 1.00 40.21 O ATOM 870 CB ASP A 58 -8.910 3.469 -1.316 1.00 1.30 C ATOM 871 CG ASP A 58 -9.101 4.579 -0.301 1.00 5.00 C ATOM 872 OD1 ASP A 58 -10.034 5.390 -0.479 1.00 73.43 O ATOM 873 OD2 ASP A 58 -8.319 4.636 0.670 1.00 51.42 O ATOM 0 H ASP A 58 -8.319 2.123 -3.311 1.00 3.44 H new ATOM 0 HA ASP A 58 -10.319 4.099 -2.810 1.00 2.42 H new ATOM 0 HB2 ASP A 58 -9.539 2.621 -1.045 1.00 1.30 H new ATOM 0 HB3 ASP A 58 -7.877 3.123 -1.282 1.00 1.30 H new ATOM 878 N GLN A 59 -7.229 5.086 -3.403 1.00 61.41 N ATOM 879 CA GLN A 59 -6.414 6.246 -3.739 1.00 75.31 C ATOM 880 C GLN A 59 -6.866 6.867 -5.057 1.00 33.11 C ATOM 881 O GLN A 59 -7.213 8.048 -5.112 1.00 31.12 O ATOM 882 CB GLN A 59 -4.939 5.851 -3.828 1.00 13.25 C ATOM 883 CG GLN A 59 -4.052 6.938 -4.414 1.00 15.45 C ATOM 884 CD GLN A 59 -3.517 6.579 -5.786 1.00 33.11 C ATOM 885 OE1 GLN A 59 -3.633 7.358 -6.733 1.00 1.44 O ATOM 886 NE2 GLN A 59 -2.927 5.395 -5.900 1.00 31.41 N ATOM 0 H GLN A 59 -6.734 4.195 -3.448 1.00 61.41 H new ATOM 0 HA GLN A 59 -6.538 6.986 -2.948 1.00 75.31 H new ATOM 0 HB2 GLN A 59 -4.579 5.598 -2.831 1.00 13.25 H new ATOM 0 HB3 GLN A 59 -4.848 4.952 -4.438 1.00 13.25 H new ATOM 0 HG2 GLN A 59 -4.618 7.867 -4.481 1.00 15.45 H new ATOM 0 HG3 GLN A 59 -3.216 7.122 -3.739 1.00 15.45 H new ATOM 0 HE21 GLN A 59 -2.853 4.782 -5.088 1.00 31.41 H new ATOM 0 HE22 GLN A 59 -2.547 5.099 -6.799 1.00 31.41 H new ATOM 895 N LEU A 60 -6.859 6.065 -6.116 1.00 55.11 N ATOM 896 CA LEU A 60 -7.269 6.536 -7.435 1.00 53.51 C ATOM 897 C LEU A 60 -8.648 7.186 -7.377 1.00 50.31 C ATOM 898 O LEU A 60 -8.877 8.231 -7.984 1.00 65.34 O ATOM 899 CB LEU A 60 -7.280 5.376 -8.431 1.00 23.21 C ATOM 900 CG LEU A 60 -5.989 5.154 -9.218 1.00 65.32 C ATOM 901 CD1 LEU A 60 -5.650 6.384 -10.046 1.00 34.22 C ATOM 902 CD2 LEU A 60 -4.844 4.809 -8.278 1.00 42.53 C ATOM 0 H LEU A 60 -6.574 5.086 -6.088 1.00 55.11 H new ATOM 0 HA LEU A 60 -6.549 7.284 -7.767 1.00 53.51 H new ATOM 0 HB2 LEU A 60 -7.513 4.460 -7.888 1.00 23.21 H new ATOM 0 HB3 LEU A 60 -8.091 5.541 -9.141 1.00 23.21 H new ATOM 0 HG LEU A 60 -6.140 4.315 -9.897 1.00 65.32 H new ATOM 0 HD11 LEU A 60 -4.728 6.207 -10.599 1.00 34.22 H new ATOM 0 HD12 LEU A 60 -6.460 6.586 -10.746 1.00 34.22 H new ATOM 0 HD13 LEU A 60 -5.519 7.242 -9.386 1.00 34.22 H new ATOM 0 HD21 LEU A 60 -3.933 4.654 -8.856 1.00 42.53 H new ATOM 0 HD22 LEU A 60 -4.693 5.627 -7.574 1.00 42.53 H new ATOM 0 HD23 LEU A 60 -5.085 3.898 -7.730 1.00 42.53 H new ATOM 914 N ARG A 61 -9.560 6.561 -6.640 1.00 64.51 N ATOM 915 CA ARG A 61 -10.916 7.080 -6.502 1.00 5.01 C ATOM 916 C ARG A 61 -10.910 8.437 -5.804 1.00 22.11 C ATOM 917 O ARG A 61 -11.433 9.419 -6.331 1.00 60.20 O ATOM 918 CB ARG A 61 -11.784 6.094 -5.717 1.00 3.23 C ATOM 919 CG ARG A 61 -13.215 6.567 -5.518 1.00 51.21 C ATOM 920 CD ARG A 61 -14.169 5.396 -5.337 1.00 53.53 C ATOM 921 NE ARG A 61 -15.565 5.823 -5.333 1.00 53.03 N ATOM 922 CZ ARG A 61 -16.141 6.443 -4.308 1.00 41.22 C ATOM 923 NH1 ARG A 61 -15.444 6.705 -3.212 1.00 72.22 N ATOM 924 NH2 ARG A 61 -17.416 6.800 -4.380 1.00 71.21 N ATOM 0 H ARG A 61 -9.385 5.695 -6.130 1.00 64.51 H new ATOM 0 HA ARG A 61 -11.334 7.206 -7.501 1.00 5.01 H new ATOM 0 HB2 ARG A 61 -11.796 5.138 -6.240 1.00 3.23 H new ATOM 0 HB3 ARG A 61 -11.329 5.919 -4.742 1.00 3.23 H new ATOM 0 HG2 ARG A 61 -13.266 7.218 -4.645 1.00 51.21 H new ATOM 0 HG3 ARG A 61 -13.526 7.161 -6.377 1.00 51.21 H new ATOM 0 HD2 ARG A 61 -14.013 4.674 -6.139 1.00 53.53 H new ATOM 0 HD3 ARG A 61 -13.943 4.886 -4.401 1.00 53.53 H new ATOM 0 HE ARG A 61 -16.129 5.635 -6.162 1.00 53.03 H new ATOM 0 HH11 ARG A 61 -14.463 6.431 -3.154 1.00 72.22 H new ATOM 0 HH12 ARG A 61 -15.888 7.181 -2.427 1.00 72.22 H new ATOM 0 HH21 ARG A 61 -17.955 6.599 -5.222 1.00 71.21 H new ATOM 0 HH22 ARG A 61 -17.858 7.276 -3.593 1.00 71.21 H new ATOM 938 N LEU A 62 -10.317 8.483 -4.617 1.00 60.01 N ATOM 939 CA LEU A 62 -10.244 9.719 -3.846 1.00 34.23 C ATOM 940 C LEU A 62 -9.568 10.824 -4.652 1.00 35.44 C ATOM 941 O LEU A 62 -10.002 11.976 -4.633 1.00 24.44 O ATOM 942 CB LEU A 62 -9.483 9.485 -2.540 1.00 72.10 C ATOM 943 CG LEU A 62 -9.129 10.737 -1.736 1.00 21.41 C ATOM 944 CD1 LEU A 62 -10.391 11.427 -1.239 1.00 3.44 C ATOM 945 CD2 LEU A 62 -8.219 10.382 -0.570 1.00 13.20 C ATOM 0 H LEU A 62 -9.880 7.679 -4.167 1.00 60.01 H new ATOM 0 HA LEU A 62 -11.261 10.034 -3.614 1.00 34.23 H new ATOM 0 HB2 LEU A 62 -10.080 8.828 -1.908 1.00 72.10 H new ATOM 0 HB3 LEU A 62 -8.560 8.953 -2.771 1.00 72.10 H new ATOM 0 HG LEU A 62 -8.596 11.427 -2.390 1.00 21.41 H new ATOM 0 HD11 LEU A 62 -10.119 12.316 -0.669 1.00 3.44 H new ATOM 0 HD12 LEU A 62 -11.007 11.716 -2.091 1.00 3.44 H new ATOM 0 HD13 LEU A 62 -10.952 10.744 -0.601 1.00 3.44 H new ATOM 0 HD21 LEU A 62 -7.977 11.285 -0.009 1.00 13.20 H new ATOM 0 HD22 LEU A 62 -8.726 9.673 0.084 1.00 13.20 H new ATOM 0 HD23 LEU A 62 -7.301 9.933 -0.949 1.00 13.20 H new ATOM 957 N VAL A 63 -8.503 10.465 -5.361 1.00 21.21 N ATOM 958 CA VAL A 63 -7.769 11.424 -6.177 1.00 15.41 C ATOM 959 C VAL A 63 -8.611 11.905 -7.353 1.00 54.52 C ATOM 960 O VAL A 63 -8.881 13.099 -7.489 1.00 42.24 O ATOM 961 CB VAL A 63 -6.458 10.819 -6.711 1.00 40.35 C ATOM 962 CG1 VAL A 63 -5.736 11.813 -7.610 1.00 21.45 C ATOM 963 CG2 VAL A 63 -5.563 10.383 -5.561 1.00 71.10 C ATOM 0 H VAL A 63 -8.129 9.516 -5.387 1.00 21.21 H new ATOM 0 HA VAL A 63 -7.533 12.272 -5.533 1.00 15.41 H new ATOM 0 HB VAL A 63 -6.703 9.939 -7.305 1.00 40.35 H new ATOM 0 HG11 VAL A 63 -4.812 11.367 -7.977 1.00 21.45 H new ATOM 0 HG12 VAL A 63 -6.375 12.071 -8.454 1.00 21.45 H new ATOM 0 HG13 VAL A 63 -5.503 12.714 -7.043 1.00 21.45 H new ATOM 0 HG21 VAL A 63 -4.641 9.958 -5.958 1.00 71.10 H new ATOM 0 HG22 VAL A 63 -5.326 11.245 -4.937 1.00 71.10 H new ATOM 0 HG23 VAL A 63 -6.080 9.633 -4.962 1.00 71.10 H new ATOM 973 N ILE A 64 -9.024 10.968 -8.199 1.00 4.34 N ATOM 974 CA ILE A 64 -9.838 11.296 -9.363 1.00 41.13 C ATOM 975 C ILE A 64 -11.124 12.003 -8.953 1.00 35.31 C ATOM 976 O ILE A 64 -11.729 12.723 -9.748 1.00 20.34 O ATOM 977 CB ILE A 64 -10.194 10.035 -10.173 1.00 72.34 C ATOM 978 CG1 ILE A 64 -8.923 9.337 -10.659 1.00 12.33 C ATOM 979 CG2 ILE A 64 -11.088 10.398 -11.351 1.00 35.22 C ATOM 980 CD1 ILE A 64 -9.140 7.894 -11.056 1.00 61.05 C ATOM 0 H ILE A 64 -8.809 9.976 -8.101 1.00 4.34 H new ATOM 0 HA ILE A 64 -9.243 11.963 -9.987 1.00 41.13 H new ATOM 0 HB ILE A 64 -10.738 9.347 -9.525 1.00 72.34 H new ATOM 0 HG12 ILE A 64 -8.522 9.884 -11.512 1.00 12.33 H new ATOM 0 HG13 ILE A 64 -8.171 9.379 -9.871 1.00 12.33 H new ATOM 0 HG21 ILE A 64 -11.331 9.497 -11.914 1.00 35.22 H new ATOM 0 HG22 ILE A 64 -12.007 10.855 -10.983 1.00 35.22 H new ATOM 0 HG23 ILE A 64 -10.567 11.102 -12.000 1.00 35.22 H new ATOM 0 HD11 ILE A 64 -8.196 7.463 -11.390 1.00 61.05 H new ATOM 0 HD12 ILE A 64 -9.512 7.333 -10.199 1.00 61.05 H new ATOM 0 HD13 ILE A 64 -9.868 7.845 -11.866 1.00 61.05 H new ATOM 992 N CYS A 65 -11.535 11.797 -7.707 1.00 30.11 N ATOM 993 CA CYS A 65 -12.750 12.416 -7.189 1.00 41.14 C ATOM 994 C CYS A 65 -12.542 13.910 -6.958 1.00 22.14 C ATOM 995 O CYS A 65 -13.176 14.742 -7.608 1.00 50.54 O ATOM 996 CB CYS A 65 -13.177 11.740 -5.886 1.00 50.40 C ATOM 997 SG CYS A 65 -14.365 10.396 -6.106 1.00 5.31 S ATOM 0 H CYS A 65 -11.044 11.206 -7.036 1.00 30.11 H new ATOM 0 HA CYS A 65 -13.539 12.287 -7.930 1.00 41.14 H new ATOM 0 HB2 CYS A 65 -12.291 11.349 -5.385 1.00 50.40 H new ATOM 0 HB3 CYS A 65 -13.612 12.490 -5.226 1.00 50.40 H new ATOM 0 HG CYS A 65 -13.734 9.310 -6.443 1.00 5.31 H new ATOM 1003 N ASP A 66 -11.655 14.241 -6.028 1.00 51.40 N ATOM 1004 CA ASP A 66 -11.364 15.634 -5.709 1.00 45.13 C ATOM 1005 C ASP A 66 -10.746 16.348 -6.908 1.00 3.22 C ATOM 1006 O ASP A 66 -11.073 17.500 -7.193 1.00 55.14 O ATOM 1007 CB ASP A 66 -10.422 15.719 -4.508 1.00 2.12 C ATOM 1008 CG ASP A 66 -11.105 15.340 -3.208 1.00 54.22 C ATOM 1009 OD1 ASP A 66 -11.870 14.353 -3.206 1.00 1.14 O ATOM 1010 OD2 ASP A 66 -10.873 16.030 -2.194 1.00 33.33 O ATOM 0 H ASP A 66 -11.124 13.564 -5.481 1.00 51.40 H new ATOM 0 HA ASP A 66 -12.303 16.128 -5.459 1.00 45.13 H new ATOM 0 HB2 ASP A 66 -9.569 15.061 -4.672 1.00 2.12 H new ATOM 0 HB3 ASP A 66 -10.031 16.733 -4.427 1.00 2.12 H new ATOM 1015 N LEU A 67 -9.852 15.656 -7.605 1.00 71.10 N ATOM 1016 CA LEU A 67 -9.186 16.223 -8.772 1.00 60.44 C ATOM 1017 C LEU A 67 -10.203 16.633 -9.833 1.00 52.01 C ATOM 1018 O LEU A 67 -10.183 17.763 -10.321 1.00 50.30 O ATOM 1019 CB LEU A 67 -8.197 15.215 -9.360 1.00 63.33 C ATOM 1020 CG LEU A 67 -7.606 15.573 -10.724 1.00 64.43 C ATOM 1021 CD1 LEU A 67 -6.661 16.758 -10.603 1.00 3.21 C ATOM 1022 CD2 LEU A 67 -6.886 14.374 -11.325 1.00 34.31 C ATOM 0 H LEU A 67 -9.571 14.701 -7.382 1.00 71.10 H new ATOM 0 HA LEU A 67 -8.642 17.112 -8.453 1.00 60.44 H new ATOM 0 HB2 LEU A 67 -7.377 15.086 -8.653 1.00 63.33 H new ATOM 0 HB3 LEU A 67 -8.699 14.251 -9.445 1.00 63.33 H new ATOM 0 HG LEU A 67 -8.423 15.853 -11.389 1.00 64.43 H new ATOM 0 HD11 LEU A 67 -6.251 16.998 -11.584 1.00 3.21 H new ATOM 0 HD12 LEU A 67 -7.206 17.620 -10.217 1.00 3.21 H new ATOM 0 HD13 LEU A 67 -5.848 16.507 -9.921 1.00 3.21 H new ATOM 0 HD21 LEU A 67 -6.472 14.647 -12.296 1.00 34.31 H new ATOM 0 HD22 LEU A 67 -6.080 14.063 -10.661 1.00 34.31 H new ATOM 0 HD23 LEU A 67 -7.590 13.552 -11.450 1.00 34.31 H new ATOM 1034 N GLN A 68 -11.092 15.709 -10.182 1.00 40.32 N ATOM 1035 CA GLN A 68 -12.117 15.976 -11.184 1.00 51.20 C ATOM 1036 C GLN A 68 -13.131 16.992 -10.667 1.00 44.10 C ATOM 1037 O GLN A 68 -13.431 17.978 -11.339 1.00 53.01 O ATOM 1038 CB GLN A 68 -12.830 14.679 -11.572 1.00 60.25 C ATOM 1039 CG GLN A 68 -13.945 14.878 -12.586 1.00 52.01 C ATOM 1040 CD GLN A 68 -14.342 13.590 -13.278 1.00 12.53 C ATOM 1041 OE1 GLN A 68 -14.267 13.480 -14.502 1.00 44.34 O ATOM 1042 NE2 GLN A 68 -14.768 12.604 -12.496 1.00 41.33 N ATOM 0 H GLN A 68 -11.123 14.769 -9.786 1.00 40.32 H new ATOM 0 HA GLN A 68 -11.629 16.392 -12.065 1.00 51.20 H new ATOM 0 HB2 GLN A 68 -12.099 13.981 -11.980 1.00 60.25 H new ATOM 0 HB3 GLN A 68 -13.244 14.219 -10.675 1.00 60.25 H new ATOM 0 HG2 GLN A 68 -14.816 15.300 -12.084 1.00 52.01 H new ATOM 0 HG3 GLN A 68 -13.625 15.604 -13.334 1.00 52.01 H new ATOM 0 HE21 GLN A 68 -14.814 12.738 -11.486 1.00 41.33 H new ATOM 0 HE22 GLN A 68 -15.049 11.713 -12.906 1.00 41.33 H new ATOM 1051 N GLU A 69 -13.655 16.743 -9.471 1.00 42.44 N ATOM 1052 CA GLU A 69 -14.636 17.636 -8.866 1.00 71.13 C ATOM 1053 C GLU A 69 -14.076 19.049 -8.734 1.00 62.25 C ATOM 1054 O GLU A 69 -14.822 20.028 -8.749 1.00 2.24 O ATOM 1055 CB GLU A 69 -15.057 17.112 -7.492 1.00 1.51 C ATOM 1056 CG GLU A 69 -15.874 15.833 -7.553 1.00 34.13 C ATOM 1057 CD GLU A 69 -17.354 16.096 -7.753 1.00 20.45 C ATOM 1058 OE1 GLU A 69 -18.007 15.299 -8.459 1.00 72.45 O ATOM 1059 OE2 GLU A 69 -17.859 17.097 -7.205 1.00 52.11 O ATOM 0 H GLU A 69 -13.417 15.931 -8.902 1.00 42.44 H new ATOM 0 HA GLU A 69 -15.510 17.669 -9.517 1.00 71.13 H new ATOM 0 HB2 GLU A 69 -14.165 16.935 -6.891 1.00 1.51 H new ATOM 0 HB3 GLU A 69 -15.638 17.880 -6.982 1.00 1.51 H new ATOM 0 HG2 GLU A 69 -15.506 15.210 -8.368 1.00 34.13 H new ATOM 0 HG3 GLU A 69 -15.730 15.270 -6.631 1.00 34.13 H new ATOM 1066 N ARG A 70 -12.757 19.147 -8.605 1.00 52.32 N ATOM 1067 CA ARG A 70 -12.096 20.440 -8.468 1.00 61.34 C ATOM 1068 C ARG A 70 -12.109 21.199 -9.792 1.00 71.32 C ATOM 1069 O ARG A 70 -12.724 22.260 -9.905 1.00 52.20 O ATOM 1070 CB ARG A 70 -10.655 20.252 -7.990 1.00 70.21 C ATOM 1071 CG ARG A 70 -10.512 20.252 -6.477 1.00 32.14 C ATOM 1072 CD ARG A 70 -9.147 19.737 -6.048 1.00 32.14 C ATOM 1073 NE ARG A 70 -9.003 19.715 -4.594 1.00 51.34 N ATOM 1074 CZ ARG A 70 -8.869 20.810 -3.853 1.00 30.14 C ATOM 1075 NH1 ARG A 70 -8.863 22.006 -4.425 1.00 13.35 N ATOM 1076 NH2 ARG A 70 -8.743 20.709 -2.536 1.00 11.24 N ATOM 0 H ARG A 70 -12.125 18.347 -8.592 1.00 52.32 H new ATOM 0 HA ARG A 70 -12.644 21.024 -7.728 1.00 61.34 H new ATOM 0 HB2 ARG A 70 -10.270 19.311 -8.383 1.00 70.21 H new ATOM 0 HB3 ARG A 70 -10.036 21.048 -8.405 1.00 70.21 H new ATOM 0 HG2 ARG A 70 -10.657 21.263 -6.096 1.00 32.14 H new ATOM 0 HG3 ARG A 70 -11.292 19.631 -6.036 1.00 32.14 H new ATOM 0 HD2 ARG A 70 -8.998 18.732 -6.442 1.00 32.14 H new ATOM 0 HD3 ARG A 70 -8.370 20.367 -6.480 1.00 32.14 H new ATOM 0 HE ARG A 70 -9.005 18.811 -4.122 1.00 51.34 H new ATOM 0 HH11 ARG A 70 -8.961 22.088 -5.437 1.00 13.35 H new ATOM 0 HH12 ARG A 70 -8.760 22.844 -3.853 1.00 13.35 H new ATOM 0 HH21 ARG A 70 -8.749 19.791 -2.092 1.00 11.24 H new ATOM 0 HH22 ARG A 70 -8.640 21.550 -1.968 1.00 11.24 H new ATOM 1090 N ARG A 71 -11.426 20.650 -10.791 1.00 23.02 N ATOM 1091 CA ARG A 71 -11.357 21.275 -12.106 1.00 71.32 C ATOM 1092 C ARG A 71 -12.752 21.440 -12.703 1.00 34.30 C ATOM 1093 O ARG A 71 -13.094 22.504 -13.220 1.00 2.44 O ATOM 1094 CB ARG A 71 -10.483 20.442 -13.045 1.00 72.24 C ATOM 1095 CG ARG A 71 -9.480 21.268 -13.834 1.00 63.02 C ATOM 1096 CD ARG A 71 -8.075 21.121 -13.273 1.00 53.21 C ATOM 1097 NE ARG A 71 -7.472 22.415 -12.961 1.00 25.03 N ATOM 1098 CZ ARG A 71 -6.266 22.553 -12.420 1.00 31.40 C ATOM 1099 NH1 ARG A 71 -5.539 21.483 -12.133 1.00 45.32 N ATOM 1100 NH2 ARG A 71 -5.787 23.764 -12.166 1.00 11.35 N ATOM 0 H ARG A 71 -10.912 19.772 -10.714 1.00 23.02 H new ATOM 0 HA ARG A 71 -10.912 22.263 -11.989 1.00 71.32 H new ATOM 0 HB2 ARG A 71 -9.946 19.695 -12.461 1.00 72.24 H new ATOM 0 HB3 ARG A 71 -11.124 19.902 -13.741 1.00 72.24 H new ATOM 0 HG2 ARG A 71 -9.491 20.955 -14.878 1.00 63.02 H new ATOM 0 HG3 ARG A 71 -9.774 22.317 -13.812 1.00 63.02 H new ATOM 0 HD2 ARG A 71 -8.107 20.509 -12.372 1.00 53.21 H new ATOM 0 HD3 ARG A 71 -7.450 20.594 -13.994 1.00 53.21 H new ATOM 0 HE ARG A 71 -8.006 23.259 -13.170 1.00 25.03 H new ATOM 0 HH11 ARG A 71 -5.905 20.551 -12.327 1.00 45.32 H new ATOM 0 HH12 ARG A 71 -4.614 21.592 -11.718 1.00 45.32 H new ATOM 0 HH21 ARG A 71 -6.344 24.589 -12.386 1.00 11.35 H new ATOM 0 HH22 ARG A 71 -4.861 23.870 -11.751 1.00 11.35 H new ATOM 1114 N GLU A 72 -13.551 20.381 -12.628 1.00 2.03 N ATOM 1115 CA GLU A 72 -14.907 20.409 -13.162 1.00 1.04 C ATOM 1116 C GLU A 72 -15.709 21.554 -12.551 1.00 24.21 C ATOM 1117 O GLU A 72 -16.350 22.328 -13.263 1.00 34.45 O ATOM 1118 CB GLU A 72 -15.613 19.077 -12.894 1.00 71.10 C ATOM 1119 CG GLU A 72 -16.873 18.879 -13.720 1.00 1.51 C ATOM 1120 CD GLU A 72 -17.355 17.441 -13.710 1.00 21.41 C ATOM 1121 OE1 GLU A 72 -17.648 16.922 -12.613 1.00 14.23 O ATOM 1122 OE2 GLU A 72 -17.441 16.837 -14.799 1.00 23.32 O ATOM 0 H GLU A 72 -13.283 19.493 -12.203 1.00 2.03 H new ATOM 0 HA GLU A 72 -14.842 20.567 -14.238 1.00 1.04 H new ATOM 0 HB2 GLU A 72 -14.921 18.261 -13.101 1.00 71.10 H new ATOM 0 HB3 GLU A 72 -15.869 19.018 -11.836 1.00 71.10 H new ATOM 0 HG2 GLU A 72 -17.661 19.526 -13.335 1.00 1.51 H new ATOM 0 HG3 GLU A 72 -16.682 19.187 -14.748 1.00 1.51 H new ATOM 1129 N LYS A 73 -15.670 21.656 -11.227 1.00 24.30 N ATOM 1130 CA LYS A 73 -16.392 22.706 -10.518 1.00 3.34 C ATOM 1131 C LYS A 73 -15.959 24.085 -11.002 1.00 72.32 C ATOM 1132 O LYS A 73 -16.773 25.005 -11.095 1.00 13.45 O ATOM 1133 CB LYS A 73 -16.157 22.585 -9.011 1.00 13.30 C ATOM 1134 CG LYS A 73 -16.812 23.693 -8.203 1.00 53.23 C ATOM 1135 CD LYS A 73 -17.072 23.259 -6.771 1.00 32.25 C ATOM 1136 CE LYS A 73 -18.485 23.612 -6.330 1.00 21.14 C ATOM 1137 NZ LYS A 73 -18.698 23.343 -4.881 1.00 3.13 N ATOM 0 H LYS A 73 -15.145 21.024 -10.623 1.00 24.30 H new ATOM 0 HA LYS A 73 -17.455 22.586 -10.725 1.00 3.34 H new ATOM 0 HB2 LYS A 73 -16.538 21.623 -8.668 1.00 13.30 H new ATOM 0 HB3 LYS A 73 -15.084 22.591 -8.817 1.00 13.30 H new ATOM 0 HG2 LYS A 73 -16.171 24.575 -8.206 1.00 53.23 H new ATOM 0 HG3 LYS A 73 -17.752 23.981 -8.673 1.00 53.23 H new ATOM 0 HD2 LYS A 73 -16.920 22.183 -6.682 1.00 32.25 H new ATOM 0 HD3 LYS A 73 -16.352 23.739 -6.108 1.00 32.25 H new ATOM 0 HE2 LYS A 73 -18.677 24.665 -6.536 1.00 21.14 H new ATOM 0 HE3 LYS A 73 -19.202 23.037 -6.915 1.00 21.14 H new ATOM 0 HZ1 LYS A 73 -19.672 23.597 -4.620 1.00 3.13 H new ATOM 0 HZ2 LYS A 73 -18.540 22.333 -4.688 1.00 3.13 H new ATOM 0 HZ3 LYS A 73 -18.031 23.911 -4.321 1.00 3.13 H new ATOM 1151 N PHE A 74 -14.673 24.223 -11.312 1.00 23.34 N ATOM 1152 CA PHE A 74 -14.133 25.491 -11.787 1.00 63.13 C ATOM 1153 C PHE A 74 -14.456 25.700 -13.264 1.00 21.53 C ATOM 1154 O PHE A 74 -14.485 26.830 -13.750 1.00 52.15 O ATOM 1155 CB PHE A 74 -12.619 25.536 -11.573 1.00 70.21 C ATOM 1156 CG PHE A 74 -12.112 26.890 -11.166 1.00 12.22 C ATOM 1157 CD1 PHE A 74 -11.911 27.883 -12.111 1.00 51.40 C ATOM 1158 CD2 PHE A 74 -11.836 27.170 -9.837 1.00 52.14 C ATOM 1159 CE1 PHE A 74 -11.443 29.130 -11.739 1.00 23.31 C ATOM 1160 CE2 PHE A 74 -11.370 28.415 -9.460 1.00 15.54 C ATOM 1161 CZ PHE A 74 -11.172 29.395 -10.412 1.00 71.22 C ATOM 0 H PHE A 74 -13.986 23.472 -11.242 1.00 23.34 H new ATOM 0 HA PHE A 74 -14.598 26.293 -11.214 1.00 63.13 H new ATOM 0 HB2 PHE A 74 -12.346 24.809 -10.808 1.00 70.21 H new ATOM 0 HB3 PHE A 74 -12.121 25.232 -12.493 1.00 70.21 H new ATOM 0 HD1 PHE A 74 -12.122 27.681 -13.151 1.00 51.40 H new ATOM 0 HD2 PHE A 74 -11.987 26.407 -9.088 1.00 52.14 H new ATOM 0 HE1 PHE A 74 -11.290 29.895 -12.486 1.00 23.31 H new ATOM 0 HE2 PHE A 74 -11.161 28.621 -8.421 1.00 15.54 H new ATOM 0 HZ PHE A 74 -10.806 30.368 -10.119 1.00 71.22 H new ATOM 1171 N GLY A 75 -14.700 24.601 -13.972 1.00 51.01 N ATOM 1172 CA GLY A 75 -15.017 24.685 -15.386 1.00 10.25 C ATOM 1173 C GLY A 75 -14.547 23.468 -16.158 1.00 55.25 C ATOM 1174 O GLY A 75 -14.187 22.450 -15.567 1.00 30.41 O ATOM 0 H GLY A 75 -14.684 23.655 -13.592 1.00 51.01 H new ATOM 0 HA2 GLY A 75 -16.095 24.795 -15.508 1.00 10.25 H new ATOM 0 HA3 GLY A 75 -14.556 25.579 -15.806 1.00 10.25 H new ATOM 1178 N SER A 76 -14.550 23.573 -17.483 1.00 73.43 N ATOM 1179 CA SER A 76 -14.126 22.471 -18.338 1.00 40.43 C ATOM 1180 C SER A 76 -12.744 22.740 -18.927 1.00 22.42 C ATOM 1181 O SER A 76 -12.408 23.878 -19.254 1.00 30.52 O ATOM 1182 CB SER A 76 -15.138 22.251 -19.463 1.00 72.43 C ATOM 1183 OG SER A 76 -15.838 21.031 -19.290 1.00 13.20 O ATOM 0 H SER A 76 -14.841 24.410 -17.988 1.00 73.43 H new ATOM 0 HA SER A 76 -14.072 21.570 -17.727 1.00 40.43 H new ATOM 0 HB2 SER A 76 -15.846 23.080 -19.486 1.00 72.43 H new ATOM 0 HB3 SER A 76 -14.623 22.245 -20.423 1.00 72.43 H new ATOM 0 HG SER A 76 -16.480 20.916 -20.022 1.00 13.20 H new ATOM 1189 N SER A 77 -11.947 21.685 -19.058 1.00 4.34 N ATOM 1190 CA SER A 77 -10.601 21.807 -19.604 1.00 42.50 C ATOM 1191 C SER A 77 -10.101 20.462 -20.124 1.00 21.44 C ATOM 1192 O SER A 77 -10.267 19.430 -19.472 1.00 63.14 O ATOM 1193 CB SER A 77 -9.642 22.341 -18.538 1.00 21.23 C ATOM 1194 OG SER A 77 -8.850 21.299 -17.996 1.00 54.45 O ATOM 0 H SER A 77 -12.210 20.736 -18.793 1.00 4.34 H new ATOM 0 HA SER A 77 -10.636 22.509 -20.437 1.00 42.50 H new ATOM 0 HB2 SER A 77 -8.996 23.103 -18.974 1.00 21.23 H new ATOM 0 HB3 SER A 77 -10.210 22.822 -17.742 1.00 21.23 H new ATOM 0 HG SER A 77 -8.898 21.327 -17.018 1.00 54.45 H new ATOM 1200 N LYS A 78 -9.489 20.481 -21.303 1.00 11.23 N ATOM 1201 CA LYS A 78 -8.964 19.265 -21.913 1.00 15.45 C ATOM 1202 C LYS A 78 -7.802 18.706 -21.097 1.00 72.33 C ATOM 1203 O LYS A 78 -7.474 17.525 -21.198 1.00 61.02 O ATOM 1204 CB LYS A 78 -8.507 19.546 -23.346 1.00 52.41 C ATOM 1205 CG LYS A 78 -9.203 18.685 -24.386 1.00 1.33 C ATOM 1206 CD LYS A 78 -10.466 19.350 -24.905 1.00 72.34 C ATOM 1207 CE LYS A 78 -11.605 18.352 -25.047 1.00 73.34 C ATOM 1208 NZ LYS A 78 -12.265 18.450 -26.378 1.00 23.04 N ATOM 0 H LYS A 78 -9.344 21.326 -21.856 1.00 11.23 H new ATOM 0 HA LYS A 78 -9.762 18.523 -21.932 1.00 15.45 H new ATOM 0 HB2 LYS A 78 -8.687 20.596 -23.577 1.00 52.41 H new ATOM 0 HB3 LYS A 78 -7.431 19.384 -23.414 1.00 52.41 H new ATOM 0 HG2 LYS A 78 -8.523 18.495 -25.217 1.00 1.33 H new ATOM 0 HG3 LYS A 78 -9.453 17.717 -23.951 1.00 1.33 H new ATOM 0 HD2 LYS A 78 -10.763 20.148 -24.225 1.00 72.34 H new ATOM 0 HD3 LYS A 78 -10.264 19.813 -25.871 1.00 72.34 H new ATOM 0 HE2 LYS A 78 -11.222 17.341 -24.905 1.00 73.34 H new ATOM 0 HE3 LYS A 78 -12.341 18.527 -24.263 1.00 73.34 H new ATOM 0 HZ1 LYS A 78 -13.036 17.754 -26.435 1.00 23.04 H new ATOM 0 HZ2 LYS A 78 -12.653 19.407 -26.504 1.00 23.04 H new ATOM 0 HZ3 LYS A 78 -11.568 18.258 -27.126 1.00 23.04 H new ATOM 1222 N GLU A 79 -7.186 19.563 -20.289 1.00 42.33 N ATOM 1223 CA GLU A 79 -6.061 19.153 -19.457 1.00 13.35 C ATOM 1224 C GLU A 79 -6.504 18.139 -18.406 1.00 52.41 C ATOM 1225 O GLU A 79 -6.000 17.016 -18.360 1.00 13.43 O ATOM 1226 CB GLU A 79 -5.432 20.369 -18.775 1.00 54.30 C ATOM 1227 CG GLU A 79 -3.913 20.342 -18.762 1.00 40.35 C ATOM 1228 CD GLU A 79 -3.315 20.580 -20.136 1.00 15.31 C ATOM 1229 OE1 GLU A 79 -3.169 19.601 -20.896 1.00 43.42 O ATOM 1230 OE2 GLU A 79 -2.992 21.746 -20.448 1.00 44.34 O ATOM 0 H GLU A 79 -7.447 20.544 -20.193 1.00 42.33 H new ATOM 0 HA GLU A 79 -5.318 18.683 -20.101 1.00 13.35 H new ATOM 0 HB2 GLU A 79 -5.766 21.273 -19.283 1.00 54.30 H new ATOM 0 HB3 GLU A 79 -5.795 20.427 -17.749 1.00 54.30 H new ATOM 0 HG2 GLU A 79 -3.545 21.102 -18.073 1.00 40.35 H new ATOM 0 HG3 GLU A 79 -3.573 19.378 -18.384 1.00 40.35 H new ATOM 1237 N ILE A 80 -7.449 18.543 -17.564 1.00 54.52 N ATOM 1238 CA ILE A 80 -7.960 17.671 -16.514 1.00 43.20 C ATOM 1239 C ILE A 80 -8.720 16.487 -17.104 1.00 71.22 C ATOM 1240 O ILE A 80 -8.722 15.394 -16.540 1.00 10.44 O ATOM 1241 CB ILE A 80 -8.888 18.434 -15.549 1.00 42.32 C ATOM 1242 CG1 ILE A 80 -9.218 17.567 -14.332 1.00 70.02 C ATOM 1243 CG2 ILE A 80 -10.160 18.859 -16.265 1.00 25.45 C ATOM 1244 CD1 ILE A 80 -8.278 17.780 -13.167 1.00 2.21 C ATOM 0 H ILE A 80 -7.876 19.469 -17.589 1.00 54.52 H new ATOM 0 HA ILE A 80 -7.096 17.305 -15.960 1.00 43.20 H new ATOM 0 HB ILE A 80 -8.372 19.330 -15.203 1.00 42.32 H new ATOM 0 HG12 ILE A 80 -10.237 17.780 -14.010 1.00 70.02 H new ATOM 0 HG13 ILE A 80 -9.189 16.517 -14.625 1.00 70.02 H new ATOM 0 HG21 ILE A 80 -10.806 19.397 -15.571 1.00 25.45 H new ATOM 0 HG22 ILE A 80 -9.906 19.509 -17.102 1.00 25.45 H new ATOM 0 HG23 ILE A 80 -10.681 17.976 -16.636 1.00 25.45 H new ATOM 0 HD11 ILE A 80 -8.571 17.133 -12.340 1.00 2.21 H new ATOM 0 HD12 ILE A 80 -7.260 17.539 -13.472 1.00 2.21 H new ATOM 0 HD13 ILE A 80 -8.324 18.821 -12.848 1.00 2.21 H new ATOM 1256 N ASP A 81 -9.365 16.715 -18.243 1.00 12.21 N ATOM 1257 CA ASP A 81 -10.128 15.668 -18.912 1.00 4.33 C ATOM 1258 C ASP A 81 -9.240 14.468 -19.232 1.00 35.11 C ATOM 1259 O ASP A 81 -9.587 13.328 -18.928 1.00 43.11 O ATOM 1260 CB ASP A 81 -10.759 16.207 -20.196 1.00 61.22 C ATOM 1261 CG ASP A 81 -12.186 15.732 -20.384 1.00 21.13 C ATOM 1262 OD1 ASP A 81 -12.379 14.659 -20.994 1.00 20.34 O ATOM 1263 OD2 ASP A 81 -13.110 16.432 -19.920 1.00 73.43 O ATOM 0 H ASP A 81 -9.375 17.615 -18.722 1.00 12.21 H new ATOM 0 HA ASP A 81 -10.919 15.343 -18.237 1.00 4.33 H new ATOM 0 HB2 ASP A 81 -10.742 17.297 -20.176 1.00 61.22 H new ATOM 0 HB3 ASP A 81 -10.160 15.894 -21.051 1.00 61.22 H new ATOM 1268 N MET A 82 -8.093 14.736 -19.849 1.00 75.21 N ATOM 1269 CA MET A 82 -7.155 13.679 -20.210 1.00 33.51 C ATOM 1270 C MET A 82 -6.554 13.037 -18.964 1.00 12.32 C ATOM 1271 O MET A 82 -6.438 11.815 -18.879 1.00 22.41 O ATOM 1272 CB MET A 82 -6.042 14.238 -21.098 1.00 2.54 C ATOM 1273 CG MET A 82 -5.122 13.168 -21.664 1.00 63.34 C ATOM 1274 SD MET A 82 -4.569 13.544 -23.339 1.00 33.31 S ATOM 1275 CE MET A 82 -4.627 11.919 -24.089 1.00 24.34 C ATOM 0 H MET A 82 -7.791 15.675 -20.109 1.00 75.21 H new ATOM 0 HA MET A 82 -7.702 12.915 -20.763 1.00 33.51 H new ATOM 0 HB2 MET A 82 -6.490 14.794 -21.922 1.00 2.54 H new ATOM 0 HB3 MET A 82 -5.449 14.947 -20.520 1.00 2.54 H new ATOM 0 HG2 MET A 82 -4.254 13.060 -21.014 1.00 63.34 H new ATOM 0 HG3 MET A 82 -5.642 12.210 -21.663 1.00 63.34 H new ATOM 0 HE1 MET A 82 -4.311 11.987 -25.130 1.00 24.34 H new ATOM 0 HE2 MET A 82 -3.960 11.246 -23.551 1.00 24.34 H new ATOM 0 HE3 MET A 82 -5.645 11.533 -24.043 1.00 24.34 H new ATOM 1285 N ALA A 83 -6.172 13.869 -18.000 1.00 50.45 N ATOM 1286 CA ALA A 83 -5.584 13.381 -16.758 1.00 64.23 C ATOM 1287 C ALA A 83 -6.506 12.379 -16.072 1.00 13.01 C ATOM 1288 O ALA A 83 -6.063 11.320 -15.625 1.00 71.32 O ATOM 1289 CB ALA A 83 -5.278 14.545 -15.828 1.00 2.44 C ATOM 0 H ALA A 83 -6.259 14.884 -18.055 1.00 50.45 H new ATOM 0 HA ALA A 83 -4.652 12.870 -17.000 1.00 64.23 H new ATOM 0 HB1 ALA A 83 -4.839 14.167 -14.904 1.00 2.44 H new ATOM 0 HB2 ALA A 83 -4.575 15.223 -16.313 1.00 2.44 H new ATOM 0 HB3 ALA A 83 -6.200 15.080 -15.600 1.00 2.44 H new ATOM 1295 N ILE A 84 -7.787 12.720 -15.990 1.00 71.30 N ATOM 1296 CA ILE A 84 -8.770 11.850 -15.358 1.00 32.04 C ATOM 1297 C ILE A 84 -8.875 10.516 -16.089 1.00 51.44 C ATOM 1298 O ILE A 84 -8.805 9.451 -15.474 1.00 51.51 O ATOM 1299 CB ILE A 84 -10.162 12.509 -15.315 1.00 10.42 C ATOM 1300 CG1 ILE A 84 -10.110 13.805 -14.503 1.00 61.54 C ATOM 1301 CG2 ILE A 84 -11.184 11.549 -14.726 1.00 32.41 C ATOM 1302 CD1 ILE A 84 -11.121 14.838 -14.950 1.00 65.54 C ATOM 0 H ILE A 84 -8.169 13.593 -16.354 1.00 71.30 H new ATOM 0 HA ILE A 84 -8.427 11.677 -14.338 1.00 32.04 H new ATOM 0 HB ILE A 84 -10.466 12.752 -16.333 1.00 10.42 H new ATOM 0 HG12 ILE A 84 -10.280 13.573 -13.452 1.00 61.54 H new ATOM 0 HG13 ILE A 84 -9.110 14.231 -14.577 1.00 61.54 H new ATOM 0 HG21 ILE A 84 -12.162 12.029 -14.702 1.00 32.41 H new ATOM 0 HG22 ILE A 84 -11.235 10.650 -15.341 1.00 32.41 H new ATOM 0 HG23 ILE A 84 -10.888 11.279 -13.712 1.00 32.41 H new ATOM 0 HD11 ILE A 84 -11.028 15.730 -14.331 1.00 65.54 H new ATOM 0 HD12 ILE A 84 -10.938 15.099 -15.992 1.00 65.54 H new ATOM 0 HD13 ILE A 84 -12.127 14.430 -14.849 1.00 65.54 H new ATOM 1314 N VAL A 85 -9.041 10.581 -17.406 1.00 5.45 N ATOM 1315 CA VAL A 85 -9.151 9.378 -18.223 1.00 3.15 C ATOM 1316 C VAL A 85 -8.002 8.416 -17.944 1.00 0.40 C ATOM 1317 O VAL A 85 -8.185 7.199 -17.929 1.00 23.13 O ATOM 1318 CB VAL A 85 -9.168 9.719 -19.725 1.00 5.02 C ATOM 1319 CG1 VAL A 85 -9.249 8.450 -20.560 1.00 51.03 C ATOM 1320 CG2 VAL A 85 -10.325 10.652 -20.046 1.00 33.31 C ATOM 0 H VAL A 85 -9.102 11.454 -17.930 1.00 5.45 H new ATOM 0 HA VAL A 85 -10.093 8.900 -17.956 1.00 3.15 H new ATOM 0 HB VAL A 85 -8.238 10.231 -19.974 1.00 5.02 H new ATOM 0 HG11 VAL A 85 -9.260 8.711 -21.618 1.00 51.03 H new ATOM 0 HG12 VAL A 85 -8.384 7.821 -20.350 1.00 51.03 H new ATOM 0 HG13 VAL A 85 -10.161 7.908 -20.310 1.00 51.03 H new ATOM 0 HG21 VAL A 85 -10.322 10.882 -21.111 1.00 33.31 H new ATOM 0 HG22 VAL A 85 -11.266 10.169 -19.782 1.00 33.31 H new ATOM 0 HG23 VAL A 85 -10.218 11.574 -19.475 1.00 33.31 H new ATOM 1330 N THR A 86 -6.814 8.970 -17.723 1.00 32.30 N ATOM 1331 CA THR A 86 -5.633 8.163 -17.445 1.00 14.03 C ATOM 1332 C THR A 86 -5.767 7.435 -16.112 1.00 54.41 C ATOM 1333 O THR A 86 -5.680 6.208 -16.052 1.00 52.42 O ATOM 1334 CB THR A 86 -4.356 9.023 -17.421 1.00 71.34 C ATOM 1335 OG1 THR A 86 -4.141 9.616 -18.707 1.00 35.12 O ATOM 1336 CG2 THR A 86 -3.147 8.187 -17.034 1.00 14.41 C ATOM 0 H THR A 86 -6.644 9.976 -17.731 1.00 32.30 H new ATOM 0 HA THR A 86 -5.554 7.432 -18.250 1.00 14.03 H new ATOM 0 HB THR A 86 -4.487 9.808 -16.676 1.00 71.34 H new ATOM 0 HG1 THR A 86 -4.819 10.305 -18.867 1.00 35.12 H new ATOM 0 HG21 THR A 86 -2.257 8.817 -17.024 1.00 14.41 H new ATOM 0 HG22 THR A 86 -3.301 7.761 -16.043 1.00 14.41 H new ATOM 0 HG23 THR A 86 -3.014 7.383 -17.758 1.00 14.41 H new ATOM 1344 N LEU A 87 -5.978 8.198 -15.045 1.00 51.11 N ATOM 1345 CA LEU A 87 -6.124 7.625 -13.711 1.00 63.53 C ATOM 1346 C LEU A 87 -7.163 6.508 -13.710 1.00 51.24 C ATOM 1347 O LEU A 87 -7.051 5.542 -12.953 1.00 71.45 O ATOM 1348 CB LEU A 87 -6.524 8.711 -12.710 1.00 5.11 C ATOM 1349 CG LEU A 87 -5.533 9.861 -12.536 1.00 11.21 C ATOM 1350 CD1 LEU A 87 -6.270 11.175 -12.335 1.00 73.25 C ATOM 1351 CD2 LEU A 87 -4.599 9.587 -11.365 1.00 65.40 C ATOM 0 H LEU A 87 -6.052 9.215 -15.077 1.00 51.11 H new ATOM 0 HA LEU A 87 -5.164 7.203 -13.415 1.00 63.53 H new ATOM 0 HB2 LEU A 87 -7.482 9.128 -13.020 1.00 5.11 H new ATOM 0 HB3 LEU A 87 -6.680 8.242 -11.738 1.00 5.11 H new ATOM 0 HG LEU A 87 -4.934 9.939 -13.443 1.00 11.21 H new ATOM 0 HD11 LEU A 87 -5.548 11.982 -12.213 1.00 73.25 H new ATOM 0 HD12 LEU A 87 -6.897 11.377 -13.204 1.00 73.25 H new ATOM 0 HD13 LEU A 87 -6.895 11.109 -11.444 1.00 73.25 H new ATOM 0 HD21 LEU A 87 -3.900 10.416 -11.255 1.00 65.40 H new ATOM 0 HD22 LEU A 87 -5.183 9.482 -10.451 1.00 65.40 H new ATOM 0 HD23 LEU A 87 -4.045 8.667 -11.549 1.00 65.40 H new ATOM 1363 N LYS A 88 -8.172 6.644 -14.563 1.00 64.11 N ATOM 1364 CA LYS A 88 -9.230 5.645 -14.664 1.00 11.32 C ATOM 1365 C LYS A 88 -8.688 4.334 -15.223 1.00 43.24 C ATOM 1366 O LYS A 88 -8.813 3.281 -14.598 1.00 31.22 O ATOM 1367 CB LYS A 88 -10.365 6.161 -15.551 1.00 12.11 C ATOM 1368 CG LYS A 88 -11.471 6.860 -14.779 1.00 2.51 C ATOM 1369 CD LYS A 88 -11.578 8.326 -15.162 1.00 13.04 C ATOM 1370 CE LYS A 88 -12.997 8.845 -14.989 1.00 0.42 C ATOM 1371 NZ LYS A 88 -13.521 9.454 -16.243 1.00 3.44 N ATOM 0 H LYS A 88 -8.280 7.437 -15.195 1.00 64.11 H new ATOM 0 HA LYS A 88 -9.617 5.460 -13.662 1.00 11.32 H new ATOM 0 HB2 LYS A 88 -9.954 6.852 -16.287 1.00 12.11 H new ATOM 0 HB3 LYS A 88 -10.792 5.324 -16.104 1.00 12.11 H new ATOM 0 HG2 LYS A 88 -12.421 6.362 -14.972 1.00 2.51 H new ATOM 0 HG3 LYS A 88 -11.279 6.776 -13.709 1.00 2.51 H new ATOM 0 HD2 LYS A 88 -10.897 8.914 -14.547 1.00 13.04 H new ATOM 0 HD3 LYS A 88 -11.266 8.456 -16.198 1.00 13.04 H new ATOM 0 HE2 LYS A 88 -13.648 8.026 -14.683 1.00 0.42 H new ATOM 0 HE3 LYS A 88 -13.018 9.585 -14.189 1.00 0.42 H new ATOM 0 HZ1 LYS A 88 -13.948 10.378 -16.028 1.00 3.44 H new ATOM 0 HZ2 LYS A 88 -12.741 9.582 -16.919 1.00 3.44 H new ATOM 0 HZ3 LYS A 88 -14.240 8.828 -16.659 1.00 3.44 H new ATOM 1385 N VAL A 89 -8.085 4.405 -16.406 1.00 11.13 N ATOM 1386 CA VAL A 89 -7.522 3.224 -17.049 1.00 61.24 C ATOM 1387 C VAL A 89 -6.350 2.668 -16.248 1.00 71.12 C ATOM 1388 O VAL A 89 -6.017 1.487 -16.353 1.00 13.13 O ATOM 1389 CB VAL A 89 -7.048 3.537 -18.481 1.00 51.32 C ATOM 1390 CG1 VAL A 89 -6.008 4.647 -18.469 1.00 1.12 C ATOM 1391 CG2 VAL A 89 -6.496 2.284 -19.145 1.00 30.02 C ATOM 0 H VAL A 89 -7.974 5.268 -16.938 1.00 11.13 H new ATOM 0 HA VAL A 89 -8.316 2.478 -17.091 1.00 61.24 H new ATOM 0 HB VAL A 89 -7.904 3.881 -19.062 1.00 51.32 H new ATOM 0 HG11 VAL A 89 -5.685 4.854 -19.489 1.00 1.12 H new ATOM 0 HG12 VAL A 89 -6.442 5.548 -18.036 1.00 1.12 H new ATOM 0 HG13 VAL A 89 -5.150 4.335 -17.873 1.00 1.12 H new ATOM 0 HG21 VAL A 89 -6.166 2.523 -20.156 1.00 30.02 H new ATOM 0 HG22 VAL A 89 -5.652 1.908 -18.567 1.00 30.02 H new ATOM 0 HG23 VAL A 89 -7.274 1.522 -19.188 1.00 30.02 H new ATOM 1401 N PHE A 90 -5.728 3.526 -15.447 1.00 33.40 N ATOM 1402 CA PHE A 90 -4.591 3.122 -14.627 1.00 30.42 C ATOM 1403 C PHE A 90 -5.034 2.178 -13.512 1.00 61.23 C ATOM 1404 O PHE A 90 -4.422 1.133 -13.291 1.00 34.35 O ATOM 1405 CB PHE A 90 -3.905 4.351 -14.027 1.00 44.13 C ATOM 1406 CG PHE A 90 -2.412 4.344 -14.193 1.00 0.34 C ATOM 1407 CD1 PHE A 90 -1.738 5.494 -14.569 1.00 71.22 C ATOM 1408 CD2 PHE A 90 -1.683 3.186 -13.973 1.00 51.32 C ATOM 1409 CE1 PHE A 90 -0.365 5.491 -14.722 1.00 53.54 C ATOM 1410 CE2 PHE A 90 -0.309 3.178 -14.125 1.00 3.44 C ATOM 1411 CZ PHE A 90 0.351 4.330 -14.500 1.00 74.32 C ATOM 0 H PHE A 90 -5.992 4.506 -15.348 1.00 33.40 H new ATOM 0 HA PHE A 90 -3.882 2.595 -15.266 1.00 30.42 H new ATOM 0 HB2 PHE A 90 -4.311 5.248 -14.495 1.00 44.13 H new ATOM 0 HB3 PHE A 90 -4.144 4.409 -12.965 1.00 44.13 H new ATOM 0 HD1 PHE A 90 -2.292 6.404 -14.745 1.00 71.22 H new ATOM 0 HD2 PHE A 90 -2.194 2.281 -13.680 1.00 51.32 H new ATOM 0 HE1 PHE A 90 0.148 6.395 -15.015 1.00 53.54 H new ATOM 0 HE2 PHE A 90 0.248 2.269 -13.950 1.00 3.44 H new ATOM 0 HZ PHE A 90 1.424 4.325 -14.620 1.00 74.32 H new ATOM 1421 N ALA A 91 -6.101 2.554 -12.815 1.00 45.04 N ATOM 1422 CA ALA A 91 -6.627 1.742 -11.726 1.00 3.44 C ATOM 1423 C ALA A 91 -7.216 0.436 -12.249 1.00 1.33 C ATOM 1424 O ALA A 91 -7.051 -0.620 -11.638 1.00 23.03 O ATOM 1425 CB ALA A 91 -7.675 2.520 -10.945 1.00 71.32 C ATOM 0 H ALA A 91 -6.618 3.417 -12.986 1.00 45.04 H new ATOM 0 HA ALA A 91 -5.801 1.496 -11.059 1.00 3.44 H new ATOM 0 HB1 ALA A 91 -8.059 1.900 -10.135 1.00 71.32 H new ATOM 0 HB2 ALA A 91 -7.225 3.422 -10.530 1.00 71.32 H new ATOM 0 HB3 ALA A 91 -8.494 2.796 -11.610 1.00 71.32 H new ATOM 1431 N VAL A 92 -7.902 0.514 -13.384 1.00 32.14 N ATOM 1432 CA VAL A 92 -8.515 -0.662 -13.990 1.00 70.52 C ATOM 1433 C VAL A 92 -7.463 -1.567 -14.620 1.00 1.22 C ATOM 1434 O VAL A 92 -7.272 -2.705 -14.193 1.00 23.44 O ATOM 1435 CB VAL A 92 -9.547 -0.267 -15.064 1.00 54.11 C ATOM 1436 CG1 VAL A 92 -10.149 -1.506 -15.708 1.00 12.43 C ATOM 1437 CG2 VAL A 92 -10.633 0.613 -14.461 1.00 44.25 C ATOM 0 H VAL A 92 -8.048 1.380 -13.903 1.00 32.14 H new ATOM 0 HA VAL A 92 -9.022 -1.202 -13.191 1.00 70.52 H new ATOM 0 HB VAL A 92 -9.038 0.304 -15.840 1.00 54.11 H new ATOM 0 HG11 VAL A 92 -10.875 -1.207 -16.464 1.00 12.43 H new ATOM 0 HG12 VAL A 92 -9.359 -2.093 -16.176 1.00 12.43 H new ATOM 0 HG13 VAL A 92 -10.645 -2.108 -14.946 1.00 12.43 H new ATOM 0 HG21 VAL A 92 -11.353 0.883 -15.233 1.00 44.25 H new ATOM 0 HG22 VAL A 92 -11.141 0.069 -13.665 1.00 44.25 H new ATOM 0 HG23 VAL A 92 -10.183 1.518 -14.053 1.00 44.25 H new ATOM 1447 N ALA A 93 -6.782 -1.053 -15.638 1.00 73.44 N ATOM 1448 CA ALA A 93 -5.746 -1.814 -16.326 1.00 40.20 C ATOM 1449 C ALA A 93 -4.595 -2.151 -15.384 1.00 61.31 C ATOM 1450 O ALA A 93 -3.778 -3.023 -15.674 1.00 43.03 O ATOM 1451 CB ALA A 93 -5.234 -1.039 -17.532 1.00 23.14 C ATOM 0 H ALA A 93 -6.929 -0.113 -16.005 1.00 73.44 H new ATOM 0 HA ALA A 93 -6.186 -2.750 -16.670 1.00 40.20 H new ATOM 0 HB1 ALA A 93 -4.461 -1.619 -18.036 1.00 23.14 H new ATOM 0 HB2 ALA A 93 -6.057 -0.855 -18.222 1.00 23.14 H new ATOM 0 HB3 ALA A 93 -4.817 -0.087 -17.203 1.00 23.14 H new ATOM 1457 N GLY A 94 -4.537 -1.452 -14.255 1.00 10.42 N ATOM 1458 CA GLY A 94 -3.482 -1.692 -13.287 1.00 74.24 C ATOM 1459 C GLY A 94 -3.919 -2.616 -12.169 1.00 10.22 C ATOM 1460 O GLY A 94 -3.494 -3.771 -12.106 1.00 23.05 O ATOM 0 H GLY A 94 -5.201 -0.724 -13.993 1.00 10.42 H new ATOM 0 HA2 GLY A 94 -2.619 -2.124 -13.794 1.00 74.24 H new ATOM 0 HA3 GLY A 94 -3.159 -0.741 -12.863 1.00 74.24 H new ATOM 1464 N LEU A 95 -4.770 -2.110 -11.283 1.00 53.33 N ATOM 1465 CA LEU A 95 -5.264 -2.898 -10.159 1.00 0.40 C ATOM 1466 C LEU A 95 -6.008 -4.136 -10.649 1.00 71.13 C ATOM 1467 O LEU A 95 -5.809 -5.238 -10.135 1.00 73.31 O ATOM 1468 CB LEU A 95 -6.184 -2.049 -9.281 1.00 25.24 C ATOM 1469 CG LEU A 95 -5.917 -2.106 -7.777 1.00 34.15 C ATOM 1470 CD1 LEU A 95 -5.871 -3.548 -7.296 1.00 51.15 C ATOM 1471 CD2 LEU A 95 -4.619 -1.388 -7.439 1.00 54.00 C ATOM 0 H LEU A 95 -5.132 -1.157 -11.321 1.00 53.33 H new ATOM 0 HA LEU A 95 -4.407 -3.222 -9.568 1.00 0.40 H new ATOM 0 HB2 LEU A 95 -6.106 -1.011 -9.605 1.00 25.24 H new ATOM 0 HB3 LEU A 95 -7.213 -2.361 -9.459 1.00 25.24 H new ATOM 0 HG LEU A 95 -6.734 -1.600 -7.263 1.00 34.15 H new ATOM 0 HD11 LEU A 95 -5.680 -3.568 -6.223 1.00 51.15 H new ATOM 0 HD12 LEU A 95 -6.826 -4.031 -7.504 1.00 51.15 H new ATOM 0 HD13 LEU A 95 -5.074 -4.080 -7.816 1.00 51.15 H new ATOM 0 HD21 LEU A 95 -4.445 -1.438 -6.364 1.00 54.00 H new ATOM 0 HD22 LEU A 95 -3.792 -1.866 -7.964 1.00 54.00 H new ATOM 0 HD23 LEU A 95 -4.690 -0.345 -7.747 1.00 54.00 H new ATOM 1483 N LEU A 96 -6.865 -3.949 -11.646 1.00 30.41 N ATOM 1484 CA LEU A 96 -7.640 -5.050 -12.207 1.00 44.44 C ATOM 1485 C LEU A 96 -6.863 -5.751 -13.319 1.00 34.34 C ATOM 1486 O LEU A 96 -7.332 -6.730 -13.895 1.00 22.41 O ATOM 1487 CB LEU A 96 -8.976 -4.539 -12.748 1.00 14.11 C ATOM 1488 CG LEU A 96 -10.223 -4.986 -11.986 1.00 5.10 C ATOM 1489 CD1 LEU A 96 -11.476 -4.406 -12.624 1.00 42.03 C ATOM 1490 CD2 LEU A 96 -10.302 -6.506 -11.939 1.00 34.00 C ATOM 0 H LEU A 96 -7.041 -3.044 -12.083 1.00 30.41 H new ATOM 0 HA LEU A 96 -7.830 -5.769 -11.411 1.00 44.44 H new ATOM 0 HB2 LEU A 96 -8.950 -3.449 -12.755 1.00 14.11 H new ATOM 0 HB3 LEU A 96 -9.073 -4.862 -13.785 1.00 14.11 H new ATOM 0 HG LEU A 96 -10.154 -4.612 -10.964 1.00 5.10 H new ATOM 0 HD11 LEU A 96 -12.353 -4.735 -12.068 1.00 42.03 H new ATOM 0 HD12 LEU A 96 -11.423 -3.317 -12.606 1.00 42.03 H new ATOM 0 HD13 LEU A 96 -11.551 -4.749 -13.656 1.00 42.03 H new ATOM 0 HD21 LEU A 96 -11.196 -6.807 -11.393 1.00 34.00 H new ATOM 0 HD22 LEU A 96 -10.347 -6.900 -12.954 1.00 34.00 H new ATOM 0 HD23 LEU A 96 -9.419 -6.901 -11.436 1.00 34.00 H new ATOM 1502 N ASN A 97 -5.671 -5.241 -13.612 1.00 55.22 N ATOM 1503 CA ASN A 97 -4.829 -5.818 -14.653 1.00 50.05 C ATOM 1504 C ASN A 97 -5.606 -5.978 -15.956 1.00 31.15 C ATOM 1505 O ASN A 97 -5.333 -6.880 -16.747 1.00 53.51 O ATOM 1506 CB ASN A 97 -4.281 -7.174 -14.203 1.00 34.45 C ATOM 1507 CG ASN A 97 -3.406 -7.064 -12.969 1.00 24.51 C ATOM 1508 OD1 ASN A 97 -2.180 -7.034 -13.065 1.00 10.44 O ATOM 1509 ND2 ASN A 97 -4.036 -7.002 -11.801 1.00 4.42 N ATOM 0 H ASN A 97 -5.267 -4.430 -13.143 1.00 55.22 H new ATOM 0 HA ASN A 97 -3.996 -5.137 -14.829 1.00 50.05 H new ATOM 0 HB2 ASN A 97 -5.112 -7.848 -13.997 1.00 34.45 H new ATOM 0 HB3 ASN A 97 -3.705 -7.618 -15.015 1.00 34.45 H new ATOM 0 HD21 ASN A 97 -3.501 -6.926 -10.936 1.00 4.42 H new ATOM 0 HD22 ASN A 97 -5.055 -7.030 -11.769 1.00 4.42 H new ATOM 1516 N MET A 98 -6.576 -5.096 -16.171 1.00 62.10 N ATOM 1517 CA MET A 98 -7.392 -5.138 -17.379 1.00 21.31 C ATOM 1518 C MET A 98 -6.550 -4.838 -18.615 1.00 70.20 C ATOM 1519 O MET A 98 -5.799 -3.863 -18.646 1.00 75.10 O ATOM 1520 CB MET A 98 -8.545 -4.137 -17.277 1.00 73.24 C ATOM 1521 CG MET A 98 -9.904 -4.792 -17.091 1.00 72.41 C ATOM 1522 SD MET A 98 -10.977 -4.583 -18.525 1.00 2.44 S ATOM 1523 CE MET A 98 -10.488 -5.990 -19.521 1.00 12.13 C ATOM 0 H MET A 98 -6.816 -4.344 -15.525 1.00 62.10 H new ATOM 0 HA MET A 98 -7.801 -6.144 -17.476 1.00 21.31 H new ATOM 0 HB2 MET A 98 -8.358 -3.464 -16.440 1.00 73.24 H new ATOM 0 HB3 MET A 98 -8.566 -3.526 -18.179 1.00 73.24 H new ATOM 0 HG2 MET A 98 -9.767 -5.856 -16.896 1.00 72.41 H new ATOM 0 HG3 MET A 98 -10.391 -4.368 -16.213 1.00 72.41 H new ATOM 0 HE1 MET A 98 -11.065 -5.999 -20.446 1.00 12.13 H new ATOM 0 HE2 MET A 98 -9.426 -5.918 -19.757 1.00 12.13 H new ATOM 0 HE3 MET A 98 -10.675 -6.910 -18.967 1.00 12.13 H new ATOM 1533 N THR A 99 -6.680 -5.683 -19.633 1.00 61.32 N ATOM 1534 CA THR A 99 -5.930 -5.508 -20.872 1.00 2.23 C ATOM 1535 C THR A 99 -6.696 -4.636 -21.859 1.00 71.12 C ATOM 1536 O THR A 99 -6.841 -4.986 -23.031 1.00 1.33 O ATOM 1537 CB THR A 99 -5.619 -6.863 -21.535 1.00 43.10 C ATOM 1538 OG1 THR A 99 -5.355 -7.851 -20.532 1.00 75.31 O ATOM 1539 CG2 THR A 99 -4.422 -6.747 -22.466 1.00 75.45 C ATOM 0 H THR A 99 -7.297 -6.495 -19.624 1.00 61.32 H new ATOM 0 HA THR A 99 -4.993 -5.017 -20.609 1.00 2.23 H new ATOM 0 HB THR A 99 -6.488 -7.164 -22.120 1.00 43.10 H new ATOM 0 HG1 THR A 99 -5.160 -8.710 -20.962 1.00 75.31 H new ATOM 0 HG21 THR A 99 -4.221 -7.716 -22.923 1.00 75.45 H new ATOM 0 HG22 THR A 99 -4.637 -6.016 -23.245 1.00 75.45 H new ATOM 0 HG23 THR A 99 -3.549 -6.426 -21.898 1.00 75.45 H new ATOM 1547 N VAL A 100 -7.184 -3.495 -21.380 1.00 43.15 N ATOM 1548 CA VAL A 100 -7.932 -2.571 -22.223 1.00 22.54 C ATOM 1549 C VAL A 100 -7.167 -2.250 -23.503 1.00 33.32 C ATOM 1550 O VAL A 100 -5.992 -2.589 -23.637 1.00 24.41 O ATOM 1551 CB VAL A 100 -8.240 -1.258 -21.480 1.00 12.13 C ATOM 1552 CG1 VAL A 100 -9.132 -1.521 -20.276 1.00 5.23 C ATOM 1553 CG2 VAL A 100 -6.951 -0.570 -21.057 1.00 41.53 C ATOM 0 H VAL A 100 -7.074 -3.189 -20.413 1.00 43.15 H new ATOM 0 HA VAL A 100 -8.870 -3.065 -22.478 1.00 22.54 H new ATOM 0 HB VAL A 100 -8.774 -0.594 -22.160 1.00 12.13 H new ATOM 0 HG11 VAL A 100 -9.338 -0.581 -19.764 1.00 5.23 H new ATOM 0 HG12 VAL A 100 -10.070 -1.967 -20.608 1.00 5.23 H new ATOM 0 HG13 VAL A 100 -8.628 -2.204 -19.592 1.00 5.23 H new ATOM 0 HG21 VAL A 100 -7.188 0.356 -20.533 1.00 41.53 H new ATOM 0 HG22 VAL A 100 -6.388 -1.228 -20.395 1.00 41.53 H new ATOM 0 HG23 VAL A 100 -6.352 -0.345 -21.940 1.00 41.53 H new ATOM 1563 N SER A 101 -7.844 -1.593 -24.440 1.00 41.43 N ATOM 1564 CA SER A 101 -7.229 -1.229 -25.711 1.00 41.23 C ATOM 1565 C SER A 101 -7.054 0.283 -25.817 1.00 41.40 C ATOM 1566 O SER A 101 -6.142 0.770 -26.487 1.00 65.00 O ATOM 1567 CB SER A 101 -8.078 -1.739 -26.878 1.00 14.22 C ATOM 1568 OG SER A 101 -7.303 -2.523 -27.769 1.00 74.24 O ATOM 0 H SER A 101 -8.817 -1.302 -24.343 1.00 41.43 H new ATOM 0 HA SER A 101 -6.245 -1.695 -25.756 1.00 41.23 H new ATOM 0 HB2 SER A 101 -8.909 -2.332 -26.495 1.00 14.22 H new ATOM 0 HB3 SER A 101 -8.510 -0.894 -27.414 1.00 14.22 H new ATOM 0 HG SER A 101 -7.869 -2.838 -28.504 1.00 74.24 H new ATOM 1574 N THR A 102 -7.935 1.022 -25.150 1.00 71.02 N ATOM 1575 CA THR A 102 -7.881 2.478 -25.169 1.00 52.12 C ATOM 1576 C THR A 102 -8.282 3.061 -23.819 1.00 10.34 C ATOM 1577 O THR A 102 -9.010 2.430 -23.052 1.00 73.14 O ATOM 1578 CB THR A 102 -8.799 3.060 -26.260 1.00 51.12 C ATOM 1579 OG1 THR A 102 -10.169 2.946 -25.860 1.00 33.41 O ATOM 1580 CG2 THR A 102 -8.591 2.340 -27.583 1.00 41.04 C ATOM 0 H THR A 102 -8.695 0.636 -24.590 1.00 71.02 H new ATOM 0 HA THR A 102 -6.849 2.753 -25.388 1.00 52.12 H new ATOM 0 HB THR A 102 -8.546 4.112 -26.393 1.00 51.12 H new ATOM 0 HG1 THR A 102 -10.746 3.320 -26.558 1.00 33.41 H new ATOM 0 HG21 THR A 102 -9.250 2.768 -28.338 1.00 41.04 H new ATOM 0 HG22 THR A 102 -7.554 2.453 -27.900 1.00 41.04 H new ATOM 0 HG23 THR A 102 -8.819 1.281 -27.461 1.00 41.04 H new ATOM 1588 N ALA A 103 -7.804 4.268 -23.535 1.00 4.12 N ATOM 1589 CA ALA A 103 -8.116 4.936 -22.278 1.00 11.11 C ATOM 1590 C ALA A 103 -9.617 5.166 -22.135 1.00 45.15 C ATOM 1591 O ALA A 103 -10.157 5.132 -21.031 1.00 34.50 O ATOM 1592 CB ALA A 103 -7.366 6.257 -22.182 1.00 64.21 C ATOM 0 H ALA A 103 -7.199 4.803 -24.158 1.00 4.12 H new ATOM 0 HA ALA A 103 -7.795 4.288 -21.462 1.00 11.11 H new ATOM 0 HB1 ALA A 103 -7.608 6.745 -21.238 1.00 64.21 H new ATOM 0 HB2 ALA A 103 -6.293 6.071 -22.229 1.00 64.21 H new ATOM 0 HB3 ALA A 103 -7.659 6.903 -23.010 1.00 64.21 H new ATOM 1598 N ALA A 104 -10.284 5.401 -23.261 1.00 1.03 N ATOM 1599 CA ALA A 104 -11.723 5.635 -23.261 1.00 41.34 C ATOM 1600 C ALA A 104 -12.480 4.398 -22.791 1.00 4.04 C ATOM 1601 O ALA A 104 -13.324 4.477 -21.899 1.00 34.12 O ATOM 1602 CB ALA A 104 -12.190 6.046 -24.650 1.00 13.13 C ATOM 0 H ALA A 104 -9.851 5.434 -24.184 1.00 1.03 H new ATOM 0 HA ALA A 104 -11.935 6.445 -22.563 1.00 41.34 H new ATOM 0 HB1 ALA A 104 -13.266 6.218 -24.636 1.00 13.13 H new ATOM 0 HB2 ALA A 104 -11.680 6.962 -24.949 1.00 13.13 H new ATOM 0 HB3 ALA A 104 -11.958 5.253 -25.361 1.00 13.13 H new ATOM 1608 N ALA A 105 -12.175 3.256 -23.399 1.00 30.13 N ATOM 1609 CA ALA A 105 -12.826 2.002 -23.041 1.00 31.21 C ATOM 1610 C ALA A 105 -12.649 1.695 -21.557 1.00 63.40 C ATOM 1611 O ALA A 105 -13.607 1.345 -20.868 1.00 43.24 O ATOM 1612 CB ALA A 105 -12.278 0.863 -23.887 1.00 2.13 C ATOM 0 H ALA A 105 -11.481 3.174 -24.142 1.00 30.13 H new ATOM 0 HA ALA A 105 -13.893 2.106 -23.238 1.00 31.21 H new ATOM 0 HB1 ALA A 105 -12.773 -0.067 -23.609 1.00 2.13 H new ATOM 0 HB2 ALA A 105 -12.462 1.071 -24.941 1.00 2.13 H new ATOM 0 HB3 ALA A 105 -11.205 0.768 -23.718 1.00 2.13 H new ATOM 1618 N ALA A 106 -11.420 1.829 -21.073 1.00 41.51 N ATOM 1619 CA ALA A 106 -11.118 1.567 -19.671 1.00 64.23 C ATOM 1620 C ALA A 106 -11.852 2.545 -18.760 1.00 33.45 C ATOM 1621 O ALA A 106 -12.316 2.173 -17.683 1.00 73.50 O ATOM 1622 CB ALA A 106 -9.618 1.643 -19.431 1.00 13.02 C ATOM 0 H ALA A 106 -10.616 2.118 -21.631 1.00 41.51 H new ATOM 0 HA ALA A 106 -11.462 0.561 -19.432 1.00 64.23 H new ATOM 0 HB1 ALA A 106 -9.407 1.445 -18.380 1.00 13.02 H new ATOM 0 HB2 ALA A 106 -9.113 0.900 -20.048 1.00 13.02 H new ATOM 0 HB3 ALA A 106 -9.258 2.638 -19.692 1.00 13.02 H new ATOM 1628 N GLU A 107 -11.952 3.796 -19.200 1.00 11.40 N ATOM 1629 CA GLU A 107 -12.628 4.827 -18.421 1.00 24.32 C ATOM 1630 C GLU A 107 -14.115 4.512 -18.278 1.00 12.30 C ATOM 1631 O GLU A 107 -14.671 4.580 -17.183 1.00 24.43 O ATOM 1632 CB GLU A 107 -12.447 6.195 -19.080 1.00 73.11 C ATOM 1633 CG GLU A 107 -13.295 7.289 -18.453 1.00 53.03 C ATOM 1634 CD GLU A 107 -14.499 7.652 -19.301 1.00 41.35 C ATOM 1635 OE1 GLU A 107 -14.306 8.006 -20.484 1.00 23.14 O ATOM 1636 OE2 GLU A 107 -15.632 7.583 -18.783 1.00 25.24 O ATOM 0 H GLU A 107 -11.574 4.119 -20.090 1.00 11.40 H new ATOM 0 HA GLU A 107 -12.181 4.848 -17.427 1.00 24.32 H new ATOM 0 HB2 GLU A 107 -11.397 6.482 -19.020 1.00 73.11 H new ATOM 0 HB3 GLU A 107 -12.696 6.115 -20.138 1.00 73.11 H new ATOM 0 HG2 GLU A 107 -13.633 6.963 -17.469 1.00 53.03 H new ATOM 0 HG3 GLU A 107 -12.681 8.177 -18.301 1.00 53.03 H new ATOM 1643 N ASN A 108 -14.752 4.169 -19.394 1.00 53.42 N ATOM 1644 CA ASN A 108 -16.174 3.845 -19.394 1.00 14.03 C ATOM 1645 C ASN A 108 -16.475 2.714 -18.414 1.00 54.25 C ATOM 1646 O ASN A 108 -17.419 2.795 -17.630 1.00 4.25 O ATOM 1647 CB ASN A 108 -16.628 3.451 -20.800 1.00 63.53 C ATOM 1648 CG ASN A 108 -17.312 4.593 -21.529 1.00 15.40 C ATOM 1649 OD1 ASN A 108 -18.336 5.106 -21.078 1.00 50.21 O ATOM 1650 ND2 ASN A 108 -16.745 4.996 -22.659 1.00 71.34 N ATOM 0 H ASN A 108 -14.306 4.108 -20.309 1.00 53.42 H new ATOM 0 HA ASN A 108 -16.723 4.732 -19.077 1.00 14.03 H new ATOM 0 HB2 ASN A 108 -15.765 3.120 -21.378 1.00 63.53 H new ATOM 0 HB3 ASN A 108 -17.312 2.604 -20.734 1.00 63.53 H new ATOM 0 HD21 ASN A 108 -17.158 5.761 -23.192 1.00 71.34 H new ATOM 0 HD22 ASN A 108 -15.896 4.541 -22.994 1.00 71.34 H new ATOM 1657 N MET A 109 -15.663 1.663 -18.466 1.00 74.34 N ATOM 1658 CA MET A 109 -15.840 0.517 -17.582 1.00 34.41 C ATOM 1659 C MET A 109 -15.551 0.897 -16.134 1.00 32.24 C ATOM 1660 O MET A 109 -16.230 0.441 -15.214 1.00 63.11 O ATOM 1661 CB MET A 109 -14.927 -0.633 -18.013 1.00 32.34 C ATOM 1662 CG MET A 109 -15.208 -1.937 -17.284 1.00 52.43 C ATOM 1663 SD MET A 109 -13.703 -2.748 -16.709 1.00 22.11 S ATOM 1664 CE MET A 109 -13.470 -1.945 -15.126 1.00 12.42 C ATOM 0 H MET A 109 -14.877 1.581 -19.110 1.00 74.34 H new ATOM 0 HA MET A 109 -16.878 0.192 -17.653 1.00 34.41 H new ATOM 0 HB2 MET A 109 -15.040 -0.794 -19.085 1.00 32.34 H new ATOM 0 HB3 MET A 109 -13.889 -0.346 -17.841 1.00 32.34 H new ATOM 0 HG2 MET A 109 -15.858 -1.740 -16.432 1.00 52.43 H new ATOM 0 HG3 MET A 109 -15.749 -2.611 -17.948 1.00 52.43 H new ATOM 0 HE1 MET A 109 -12.894 -2.596 -14.469 1.00 12.42 H new ATOM 0 HE2 MET A 109 -12.933 -1.007 -15.269 1.00 12.42 H new ATOM 0 HE3 MET A 109 -14.441 -1.742 -14.675 1.00 12.42 H new ATOM 1674 N TYR A 110 -14.538 1.735 -15.938 1.00 31.45 N ATOM 1675 CA TYR A 110 -14.158 2.174 -14.600 1.00 52.02 C ATOM 1676 C TYR A 110 -15.347 2.787 -13.869 1.00 35.40 C ATOM 1677 O TYR A 110 -15.589 2.495 -12.698 1.00 63.24 O ATOM 1678 CB TYR A 110 -13.015 3.187 -14.680 1.00 72.34 C ATOM 1679 CG TYR A 110 -12.726 3.879 -13.367 1.00 32.01 C ATOM 1680 CD1 TYR A 110 -13.407 5.034 -13.003 1.00 33.11 C ATOM 1681 CD2 TYR A 110 -11.772 3.378 -12.490 1.00 61.22 C ATOM 1682 CE1 TYR A 110 -13.147 5.670 -11.805 1.00 11.12 C ATOM 1683 CE2 TYR A 110 -11.506 4.006 -11.289 1.00 51.05 C ATOM 1684 CZ TYR A 110 -12.196 5.152 -10.951 1.00 12.41 C ATOM 1685 OH TYR A 110 -11.933 5.781 -9.755 1.00 52.24 O ATOM 0 H TYR A 110 -13.966 2.123 -16.688 1.00 31.45 H new ATOM 0 HA TYR A 110 -13.823 1.301 -14.040 1.00 52.02 H new ATOM 0 HB2 TYR A 110 -12.113 2.678 -15.019 1.00 72.34 H new ATOM 0 HB3 TYR A 110 -13.259 3.938 -15.431 1.00 72.34 H new ATOM 0 HD1 TYR A 110 -14.153 5.442 -13.669 1.00 33.11 H new ATOM 0 HD2 TYR A 110 -11.229 2.482 -12.752 1.00 61.22 H new ATOM 0 HE1 TYR A 110 -13.685 6.568 -11.539 1.00 11.12 H new ATOM 0 HE2 TYR A 110 -10.762 3.602 -10.618 1.00 51.05 H new ATOM 0 HH TYR A 110 -11.238 5.287 -9.272 1.00 52.24 H new ATOM 1695 N SER A 111 -16.088 3.641 -14.569 1.00 61.20 N ATOM 1696 CA SER A 111 -17.251 4.300 -13.987 1.00 73.20 C ATOM 1697 C SER A 111 -18.490 3.418 -14.104 1.00 64.43 C ATOM 1698 O SER A 111 -19.416 3.519 -13.299 1.00 53.35 O ATOM 1699 CB SER A 111 -17.500 5.643 -14.676 1.00 33.44 C ATOM 1700 OG SER A 111 -16.853 5.699 -15.935 1.00 70.31 O ATOM 0 H SER A 111 -15.903 3.892 -15.540 1.00 61.20 H new ATOM 0 HA SER A 111 -17.049 4.474 -12.930 1.00 73.20 H new ATOM 0 HB2 SER A 111 -18.571 5.794 -14.807 1.00 33.44 H new ATOM 0 HB3 SER A 111 -17.139 6.453 -14.042 1.00 33.44 H new ATOM 0 HG SER A 111 -17.029 6.567 -16.355 1.00 70.31 H new ATOM 1706 N GLN A 112 -18.500 2.553 -15.114 1.00 14.34 N ATOM 1707 CA GLN A 112 -19.626 1.653 -15.337 1.00 52.31 C ATOM 1708 C GLN A 112 -19.840 0.740 -14.133 1.00 51.01 C ATOM 1709 O GLN A 112 -20.958 0.600 -13.641 1.00 35.03 O ATOM 1710 CB GLN A 112 -19.392 0.813 -16.594 1.00 1.20 C ATOM 1711 CG GLN A 112 -20.515 -0.169 -16.886 1.00 20.13 C ATOM 1712 CD GLN A 112 -21.168 0.074 -18.232 1.00 55.00 C ATOM 1713 OE1 GLN A 112 -21.364 1.219 -18.642 1.00 1.31 O ATOM 1714 NE2 GLN A 112 -21.509 -1.004 -18.929 1.00 51.12 N ATOM 0 H GLN A 112 -17.742 2.457 -15.790 1.00 14.34 H new ATOM 0 HA GLN A 112 -20.522 2.258 -15.474 1.00 52.31 H new ATOM 0 HB2 GLN A 112 -19.271 1.479 -17.449 1.00 1.20 H new ATOM 0 HB3 GLN A 112 -18.458 0.262 -16.484 1.00 1.20 H new ATOM 0 HG2 GLN A 112 -20.121 -1.185 -16.856 1.00 20.13 H new ATOM 0 HG3 GLN A 112 -21.269 -0.096 -16.102 1.00 20.13 H new ATOM 0 HE21 GLN A 112 -21.328 -1.934 -18.551 1.00 51.12 H new ATOM 0 HE22 GLN A 112 -21.952 -0.902 -19.842 1.00 51.12 H new ATOM 1723 N MET A 113 -18.761 0.122 -13.666 1.00 42.55 N ATOM 1724 CA MET A 113 -18.831 -0.778 -12.520 1.00 73.21 C ATOM 1725 C MET A 113 -18.562 -0.024 -11.221 1.00 44.21 C ATOM 1726 O MET A 113 -18.321 -0.631 -10.179 1.00 5.53 O ATOM 1727 CB MET A 113 -17.826 -1.920 -12.679 1.00 4.55 C ATOM 1728 CG MET A 113 -16.378 -1.457 -12.711 1.00 21.43 C ATOM 1729 SD MET A 113 -15.253 -2.639 -11.944 1.00 22.24 S ATOM 1730 CE MET A 113 -15.348 -3.998 -13.106 1.00 43.42 C ATOM 0 H MET A 113 -17.827 0.227 -14.063 1.00 42.55 H new ATOM 0 HA MET A 113 -19.837 -1.194 -12.476 1.00 73.21 H new ATOM 0 HB2 MET A 113 -17.955 -2.624 -11.857 1.00 4.55 H new ATOM 0 HB3 MET A 113 -18.046 -2.461 -13.599 1.00 4.55 H new ATOM 0 HG2 MET A 113 -16.076 -1.293 -13.745 1.00 21.43 H new ATOM 0 HG3 MET A 113 -16.296 -0.498 -12.199 1.00 21.43 H new ATOM 0 HE1 MET A 113 -14.366 -4.462 -13.205 1.00 43.42 H new ATOM 0 HE2 MET A 113 -16.064 -4.736 -12.744 1.00 43.42 H new ATOM 0 HE3 MET A 113 -15.672 -3.624 -14.077 1.00 43.42 H new ATOM 1740 N GLY A 114 -18.604 1.303 -11.292 1.00 4.32 N ATOM 1741 CA GLY A 114 -18.362 2.117 -10.115 1.00 1.31 C ATOM 1742 C GLY A 114 -17.075 1.743 -9.406 1.00 41.24 C ATOM 1743 O GLY A 114 -16.954 1.914 -8.193 1.00 52.40 O ATOM 0 H GLY A 114 -18.801 1.829 -12.143 1.00 4.32 H new ATOM 0 HA2 GLY A 114 -18.321 3.167 -10.405 1.00 1.31 H new ATOM 0 HA3 GLY A 114 -19.198 2.009 -9.424 1.00 1.31 H new