USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1214 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: B 64 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-4.1!) USER MOD Set 1.2: B 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 1 MET CE :methyl -116:sc= -0.726 (180deg=-3.44!) USER MOD Set 2.2: B 62 THR OG1 : rot 44:sc= 0.572 USER MOD Set 3.1: B 31 GLN : amide:sc= -8.98! C(o=-19!,f=-28!) USER MOD Set 3.2: B 33 CYS SG : rot -38:sc= -10.1! USER MOD Set 4.1: A 64 HIS : no HD1:sc= -0.638 K(o=-0.64,f=-4.2!) USER MOD Set 4.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 31 GLN : amide:sc= -9.41! C(o=-20!,f=-28!) USER MOD Set 5.2: A 33 CYS SG : rot -32:sc= -10.1! USER MOD Set 6.1: A 1 MET CE :methyl -117:sc= -0.72 (180deg=-3.39!) USER MOD Set 6.2: A 62 THR OG1 : rot 44:sc= 0.654 USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0435 (180deg=-0.231) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= 0.0928 (180deg=-0.161) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.42 K(o=-1.4,f=-7.6!) USER MOD Single : A 12 GLN : amide:sc= -0.726 K(o=-0.73,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -11.1! C(o=-11!,f=-8.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.14 X(o=-3.1,f=-3!) USER MOD Single : A 41 HIS : no HD1:sc= -4.27! C(o=-4.3!,f=-4.8!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.024) USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 61 TYR OH : rot 22:sc= 0.593 USER MOD Single : A 67 SER OG : rot -125:sc= -0.69 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.9) USER MOD Single : A 75 SER OG : rot 180:sc= -0.458 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -168:sc= -0.0465 (180deg=-0.173) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -145:sc= 0.0954 (180deg=-0.166) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -1.52 K(o=-1.5,f=-7.5!) USER MOD Single : B 12 GLN : amide:sc= -0.715 K(o=-0.71,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -11! C(o=-11!,f=-8.9!) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -2.92 X(o=-2.9,f=-2.8!) USER MOD Single : B 41 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-5.2!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.025) USER MOD Single : B 56 TYR OH : rot 165:sc= 0 USER MOD Single : B 61 TYR OH : rot 23:sc= 0.665 USER MOD Single : B 67 SER OG : rot -132:sc= -0.74 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.9) USER MOD Single : B 75 SER OG : rot 180:sc= -0.465 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.112 17.001 2.651 1.00 42.32 N ATOM 2 CA MET A 1 -0.770 17.295 3.230 1.00 40.89 C ATOM 3 C MET A 1 -0.372 16.166 4.183 1.00 34.75 C ATOM 4 O MET A 1 0.796 15.931 4.426 1.00 33.97 O ATOM 5 CB MET A 1 -0.827 18.626 3.998 1.00 48.45 C ATOM 6 CG MET A 1 0.292 18.687 5.051 1.00 56.13 C ATOM 7 SD MET A 1 1.010 20.348 5.070 1.00 64.91 S ATOM 8 CE MET A 1 2.230 20.081 3.761 1.00 63.43 C ATOM 0 H1 MET A 1 -2.298 17.649 1.859 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.135 16.020 2.308 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.841 17.129 3.382 1.00 42.32 H new ATOM 0 HA MET A 1 -0.033 17.371 2.431 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.726 19.459 3.302 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.797 18.732 4.483 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.106 18.440 6.035 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.061 17.949 4.823 1.00 56.13 H new ATOM 0 HE1 MET A 1 3.234 20.196 4.170 1.00 63.43 H new ATOM 0 HE2 MET A 1 2.116 19.075 3.357 1.00 63.43 H new ATOM 0 HE3 MET A 1 2.076 20.811 2.966 1.00 63.43 H new ATOM 20 N ILE A 2 -1.327 15.478 4.740 1.00 28.59 N ATOM 21 CA ILE A 2 -0.982 14.390 5.690 1.00 24.58 C ATOM 22 C ILE A 2 -0.171 15.004 6.828 1.00 19.29 C ATOM 23 O ILE A 2 1.040 14.914 6.864 1.00 19.53 O ATOM 24 CB ILE A 2 -0.147 13.326 4.986 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.705 13.065 3.589 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.197 12.030 5.791 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.446 13.036 2.592 1.00 33.80 C ATOM 0 H ILE A 2 -2.324 15.621 4.580 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.889 13.922 6.071 1.00 24.58 H new ATOM 0 HB ILE A 2 0.882 13.676 4.905 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.243 12.118 3.570 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.419 13.843 3.317 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.399 11.267 5.290 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.204 12.206 6.789 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.230 11.690 5.869 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.056 12.850 1.591 1.00 33.80 H new ATOM 0 HD12 ILE A 2 0.965 13.995 2.607 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.142 12.243 2.863 1.00 33.80 H new ATOM 39 N LYS A 3 -0.831 15.655 7.739 1.00 18.14 N ATOM 40 CA LYS A 3 -0.107 16.313 8.861 1.00 16.66 C ATOM 41 C LYS A 3 0.400 15.275 9.857 1.00 14.94 C ATOM 42 O LYS A 3 -0.109 14.176 9.951 1.00 13.94 O ATOM 43 CB LYS A 3 -1.048 17.286 9.575 1.00 16.94 C ATOM 44 CG LYS A 3 -0.971 18.658 8.903 1.00 17.85 C ATOM 45 CD LYS A 3 -2.157 19.516 9.348 1.00 19.63 C ATOM 46 CE LYS A 3 -1.670 20.925 9.690 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.469 21.926 8.928 1.00 32.72 N ATOM 0 H LYS A 3 -1.845 15.761 7.757 1.00 18.14 H new ATOM 0 HA LYS A 3 0.747 16.854 8.454 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.071 16.910 9.541 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.773 17.369 10.627 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.035 19.150 9.165 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.978 18.544 7.819 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.904 19.561 8.556 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.639 19.066 10.216 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.768 21.105 10.761 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.613 21.025 9.445 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.138 22.884 9.160 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -2.354 21.758 7.908 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -3.473 21.835 9.183 1.00 32.72 H new ATOM 61 N VAL A 4 1.406 15.631 10.607 1.00 12.42 N ATOM 62 CA VAL A 4 1.968 14.691 11.611 1.00 12.99 C ATOM 63 C VAL A 4 2.852 15.473 12.587 1.00 14.26 C ATOM 64 O VAL A 4 3.310 16.559 12.299 1.00 13.80 O ATOM 65 CB VAL A 4 2.779 13.583 10.894 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.259 14.082 9.532 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.992 13.153 11.736 1.00 10.41 C ATOM 0 H VAL A 4 1.865 16.541 10.565 1.00 12.42 H new ATOM 0 HA VAL A 4 1.163 14.214 12.170 1.00 12.99 H new ATOM 0 HB VAL A 4 2.124 12.722 10.760 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.828 13.296 9.036 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.399 14.349 8.918 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.893 14.958 9.668 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.543 12.374 11.209 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.644 14.011 11.900 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.650 12.768 12.697 1.00 10.41 H new ATOM 77 N GLU A 5 3.086 14.921 13.742 1.00 9.27 N ATOM 78 CA GLU A 5 3.933 15.611 14.753 1.00 10.51 C ATOM 79 C GLU A 5 4.892 14.609 15.375 1.00 10.00 C ATOM 80 O GLU A 5 4.495 13.699 16.075 1.00 10.96 O ATOM 81 CB GLU A 5 3.043 16.206 15.843 1.00 10.42 C ATOM 82 CG GLU A 5 2.711 17.651 15.484 1.00 18.68 C ATOM 83 CD GLU A 5 2.422 18.444 16.760 1.00 18.63 C ATOM 84 OE1 GLU A 5 2.978 18.096 17.789 1.00 19.38 O ATOM 85 OE2 GLU A 5 1.650 19.385 16.687 1.00 22.12 O ATOM 0 H GLU A 5 2.724 14.013 14.032 1.00 9.27 H new ATOM 0 HA GLU A 5 4.499 16.408 14.271 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.127 15.623 15.940 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.551 16.165 16.807 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.543 18.102 14.944 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.846 17.682 14.821 1.00 18.68 H new ATOM 92 N ILE A 6 6.157 14.775 15.133 1.00 9.86 N ATOM 93 CA ILE A 6 7.142 13.832 15.730 1.00 10.60 C ATOM 94 C ILE A 6 7.231 14.132 17.237 1.00 10.16 C ATOM 95 O ILE A 6 7.766 15.142 17.647 1.00 11.64 O ATOM 96 CB ILE A 6 8.510 13.993 15.026 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.631 12.929 13.930 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.657 13.812 16.015 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.293 13.545 12.571 1.00 13.81 C ATOM 0 H ILE A 6 6.552 15.515 14.553 1.00 9.86 H new ATOM 0 HA ILE A 6 6.831 12.796 15.593 1.00 10.60 H new ATOM 0 HB ILE A 6 8.568 14.995 14.602 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.643 12.523 13.914 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.958 12.098 14.141 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.608 13.930 15.495 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.579 14.561 16.803 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.605 12.816 16.454 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.380 12.785 11.795 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.273 13.929 12.589 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.984 14.361 12.359 1.00 13.81 H new ATOM 111 N LYS A 7 6.684 13.269 18.063 1.00 11.63 N ATOM 112 CA LYS A 7 6.710 13.511 19.532 1.00 11.59 C ATOM 113 C LYS A 7 8.134 13.848 19.982 1.00 12.98 C ATOM 114 O LYS A 7 9.066 13.756 19.208 1.00 9.79 O ATOM 115 CB LYS A 7 6.218 12.250 20.252 1.00 12.52 C ATOM 116 CG LYS A 7 4.813 12.482 20.828 1.00 14.26 C ATOM 117 CD LYS A 7 3.962 13.290 19.847 1.00 15.70 C ATOM 118 CE LYS A 7 2.481 13.010 20.104 1.00 19.19 C ATOM 119 NZ LYS A 7 1.654 13.805 19.153 1.00 25.43 N ATOM 0 H LYS A 7 6.221 12.407 17.776 1.00 11.63 H new ATOM 0 HA LYS A 7 6.060 14.351 19.777 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.200 11.410 19.558 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.909 11.987 21.053 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.334 11.524 21.032 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.885 13.011 21.778 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.167 14.354 19.963 1.00 15.70 H new ATOM 0 HD3 LYS A 7 4.220 13.025 18.822 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.274 11.947 19.982 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.224 13.269 21.131 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 0.793 14.136 19.634 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.201 14.624 18.819 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 1.390 13.210 18.342 1.00 25.43 H new ATOM 133 N PRO A 8 8.255 14.229 21.230 1.00 13.56 N ATOM 134 CA PRO A 8 9.552 14.590 21.826 1.00 11.93 C ATOM 135 C PRO A 8 10.357 13.327 22.119 1.00 10.20 C ATOM 136 O PRO A 8 11.572 13.327 22.091 1.00 12.05 O ATOM 137 CB PRO A 8 9.168 15.320 23.116 1.00 12.78 C ATOM 138 CG PRO A 8 7.735 14.856 23.468 1.00 12.51 C ATOM 139 CD PRO A 8 7.112 14.329 22.162 1.00 13.61 C ATOM 0 HA PRO A 8 10.175 15.205 21.177 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.863 15.079 23.920 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.204 16.400 22.977 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.756 14.077 24.230 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.148 15.681 23.872 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.634 13.361 22.311 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.347 15.007 21.783 1.00 13.61 H new ATOM 147 N SER A 9 9.683 12.249 22.383 1.00 10.65 N ATOM 148 CA SER A 9 10.393 10.973 22.663 1.00 10.83 C ATOM 149 C SER A 9 10.535 10.185 21.357 1.00 10.94 C ATOM 150 O SER A 9 10.968 9.050 21.350 1.00 13.16 O ATOM 151 CB SER A 9 9.593 10.152 23.675 1.00 13.01 C ATOM 152 OG SER A 9 9.261 10.973 24.787 1.00 15.52 O ATOM 0 H SER A 9 8.665 12.194 22.418 1.00 10.65 H new ATOM 0 HA SER A 9 11.380 11.183 23.075 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.686 9.764 23.211 1.00 13.01 H new ATOM 0 HB3 SER A 9 10.175 9.292 24.004 1.00 13.01 H new ATOM 0 HG SER A 9 8.747 10.451 25.437 1.00 15.52 H new ATOM 158 N GLN A 10 10.170 10.780 20.251 1.00 10.02 N ATOM 159 CA GLN A 10 10.281 10.068 18.947 1.00 11.55 C ATOM 160 C GLN A 10 11.143 10.886 17.983 1.00 13.72 C ATOM 161 O GLN A 10 10.960 10.837 16.784 1.00 17.31 O ATOM 162 CB GLN A 10 8.891 9.890 18.342 1.00 6.60 C ATOM 163 CG GLN A 10 7.902 9.546 19.450 1.00 7.20 C ATOM 164 CD GLN A 10 8.124 8.103 19.906 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.241 7.627 19.931 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.100 7.382 20.272 1.00 4.80 N ATOM 0 H GLN A 10 9.800 11.729 20.196 1.00 10.02 H new ATOM 0 HA GLN A 10 10.740 9.093 19.111 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.583 10.804 17.834 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.906 9.098 17.593 1.00 6.60 H new ATOM 0 HG2 GLN A 10 8.031 10.228 20.291 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.880 9.672 19.091 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.162 7.781 20.251 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.238 6.419 20.579 1.00 4.80 H new ATOM 175 N ALA A 11 12.071 11.649 18.493 1.00 15.28 N ATOM 176 CA ALA A 11 12.928 12.476 17.596 1.00 18.95 C ATOM 177 C ALA A 11 14.232 11.737 17.288 1.00 20.75 C ATOM 178 O ALA A 11 15.192 12.323 16.827 1.00 24.78 O ATOM 179 CB ALA A 11 13.246 13.807 18.280 1.00 17.72 C ATOM 0 H ALA A 11 12.273 11.736 19.489 1.00 15.28 H new ATOM 0 HA ALA A 11 12.394 12.660 16.664 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.873 14.412 17.625 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.318 14.340 18.489 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.774 13.619 19.215 1.00 17.72 H new ATOM 185 N GLN A 12 14.279 10.458 17.535 1.00 22.50 N ATOM 186 CA GLN A 12 15.525 9.693 17.253 1.00 25.43 C ATOM 187 C GLN A 12 15.174 8.312 16.703 1.00 22.80 C ATOM 188 O GLN A 12 14.191 7.710 17.088 1.00 20.93 O ATOM 189 CB GLN A 12 16.326 9.538 18.543 1.00 30.18 C ATOM 190 CG GLN A 12 17.135 10.809 18.776 1.00 42.11 C ATOM 191 CD GLN A 12 17.714 10.800 20.193 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.052 11.836 20.729 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.842 9.666 20.826 1.00 47.90 N ATOM 0 H GLN A 12 13.510 9.910 17.919 1.00 22.50 H new ATOM 0 HA GLN A 12 16.118 10.232 16.514 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.656 9.358 19.384 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.989 8.676 18.474 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.940 10.878 18.044 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.502 11.685 18.637 1.00 42.11 H new ATOM 0 HE21 GLN A 12 17.558 8.796 20.376 1.00 47.90 H new ATOM 0 HE22 GLN A 12 18.226 9.650 21.771 1.00 47.90 H new ATOM 202 N PHE A 13 15.973 7.804 15.806 1.00 21.61 N ATOM 203 CA PHE A 13 15.689 6.464 15.232 1.00 20.51 C ATOM 204 C PHE A 13 16.493 5.410 15.982 1.00 18.83 C ATOM 205 O PHE A 13 17.546 5.683 16.523 1.00 18.83 O ATOM 206 CB PHE A 13 16.111 6.443 13.770 1.00 19.56 C ATOM 207 CG PHE A 13 17.590 6.743 13.701 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.526 5.722 13.899 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.025 8.052 13.457 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.895 6.012 13.849 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.389 8.341 13.410 1.00 14.07 C ATOM 212 CZ PHE A 13 20.323 7.324 13.605 1.00 18.48 C ATOM 0 H PHE A 13 16.811 8.262 15.447 1.00 21.61 H new ATOM 0 HA PHE A 13 14.623 6.254 15.319 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.900 5.470 13.327 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.546 7.181 13.201 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.193 4.712 14.090 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.302 8.840 13.305 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.620 5.226 13.998 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.721 9.351 13.223 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.379 7.548 13.568 1.00 18.48 H new ATOM 222 N THR A 14 16.013 4.204 16.005 1.00 14.89 N ATOM 223 CA THR A 14 16.754 3.127 16.703 1.00 13.37 C ATOM 224 C THR A 14 17.073 2.012 15.715 1.00 11.97 C ATOM 225 O THR A 14 16.561 1.977 14.613 1.00 10.76 O ATOM 226 CB THR A 14 15.896 2.569 17.834 1.00 13.68 C ATOM 227 OG1 THR A 14 14.628 2.187 17.321 1.00 13.48 O ATOM 228 CG2 THR A 14 15.717 3.642 18.900 1.00 9.24 C ATOM 0 H THR A 14 15.137 3.917 15.569 1.00 14.89 H new ATOM 0 HA THR A 14 17.680 3.530 17.113 1.00 13.37 H new ATOM 0 HB THR A 14 16.383 1.698 18.272 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.077 1.827 18.047 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.104 3.250 19.712 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.692 3.934 19.290 1.00 9.24 H new ATOM 0 HG23 THR A 14 15.226 4.511 18.462 1.00 9.24 H new ATOM 236 N THR A 15 17.910 1.097 16.102 1.00 13.20 N ATOM 237 CA THR A 15 18.258 -0.021 15.187 1.00 12.54 C ATOM 238 C THR A 15 17.496 -1.274 15.618 1.00 14.34 C ATOM 239 O THR A 15 17.726 -1.818 16.680 1.00 17.35 O ATOM 240 CB THR A 15 19.761 -0.288 15.251 1.00 11.88 C ATOM 241 OG1 THR A 15 20.413 0.819 15.859 1.00 17.15 O ATOM 242 CG2 THR A 15 20.299 -0.486 13.835 1.00 8.30 C ATOM 0 H THR A 15 18.369 1.074 17.013 1.00 13.20 H new ATOM 0 HA THR A 15 17.985 0.242 14.165 1.00 12.54 H new ATOM 0 HB THR A 15 19.949 -1.185 15.840 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.377 0.648 15.902 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.371 -0.677 13.877 1.00 8.30 H new ATOM 0 HG22 THR A 15 19.797 -1.335 13.370 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.113 0.412 13.246 1.00 8.30 H new ATOM 435 N LEU A 28 17.685 -1.852 9.692 1.00 18.57 N ATOM 436 CA LEU A 28 17.939 -0.409 9.424 1.00 16.31 C ATOM 437 C LEU A 28 17.327 0.449 10.532 1.00 14.21 C ATOM 438 O LEU A 28 16.501 -0.003 11.301 1.00 16.97 O ATOM 439 CB LEU A 28 17.315 -0.030 8.081 1.00 16.48 C ATOM 440 CG LEU A 28 18.404 0.482 7.138 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.109 0.009 5.713 1.00 24.00 C ATOM 442 CD2 LEU A 28 18.429 2.013 7.173 1.00 22.01 C ATOM 0 HA LEU A 28 19.014 -0.233 9.396 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.817 -0.895 7.643 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.554 0.737 8.225 1.00 16.48 H new ATOM 0 HG LEU A 28 19.372 0.095 7.456 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.885 0.374 5.040 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.090 -1.081 5.688 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.141 0.396 5.394 1.00 24.00 H new ATOM 0 HD21 LEU A 28 19.205 2.380 6.501 1.00 22.01 H new ATOM 0 HD22 LEU A 28 17.461 2.400 6.855 1.00 22.01 H new ATOM 0 HD23 LEU A 28 18.639 2.350 8.188 1.00 22.01 H new ATOM 454 N ASN A 29 17.729 1.687 10.615 1.00 11.64 N ATOM 455 CA ASN A 29 17.180 2.590 11.667 1.00 9.77 C ATOM 456 C ASN A 29 15.652 2.595 11.600 1.00 7.94 C ATOM 457 O ASN A 29 15.059 2.246 10.599 1.00 10.52 O ATOM 458 CB ASN A 29 17.681 4.014 11.427 1.00 14.73 C ATOM 459 CG ASN A 29 19.200 4.074 11.583 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.826 3.101 11.954 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.825 5.190 11.313 1.00 12.89 N ATOM 0 H ASN A 29 18.418 2.115 9.996 1.00 11.64 H new ATOM 0 HA ASN A 29 17.507 2.235 12.644 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.398 4.343 10.427 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.209 4.697 12.133 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.839 5.244 11.414 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.299 6.007 11.002 1.00 12.89 H new ATOM 468 N GLU A 30 15.014 3.009 12.659 1.00 8.58 N ATOM 469 CA GLU A 30 13.526 3.066 12.670 1.00 13.16 C ATOM 470 C GLU A 30 13.092 4.199 13.602 1.00 12.26 C ATOM 471 O GLU A 30 13.493 4.257 14.748 1.00 10.58 O ATOM 472 CB GLU A 30 12.963 1.735 13.176 1.00 14.93 C ATOM 473 CG GLU A 30 12.743 0.791 11.993 1.00 27.13 C ATOM 474 CD GLU A 30 12.814 -0.659 12.474 1.00 33.28 C ATOM 475 OE1 GLU A 30 13.640 -0.939 13.327 1.00 38.01 O ATOM 476 OE2 GLU A 30 12.041 -1.465 11.982 1.00 40.03 O ATOM 0 H GLU A 30 15.463 3.312 13.523 1.00 8.58 H new ATOM 0 HA GLU A 30 13.150 3.246 11.663 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.652 1.285 13.891 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.023 1.902 13.701 1.00 14.93 H new ATOM 0 HG2 GLU A 30 11.773 0.986 11.535 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.499 0.968 11.228 1.00 27.13 H new ATOM 483 N GLN A 31 12.295 5.114 13.121 1.00 10.34 N ATOM 484 CA GLN A 31 11.866 6.248 13.987 1.00 9.46 C ATOM 485 C GLN A 31 10.365 6.170 14.260 1.00 10.09 C ATOM 486 O GLN A 31 9.681 5.272 13.809 1.00 9.36 O ATOM 487 CB GLN A 31 12.178 7.571 13.280 1.00 7.25 C ATOM 488 CG GLN A 31 12.630 8.615 14.305 1.00 10.62 C ATOM 489 CD GLN A 31 11.638 9.778 14.317 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.468 9.598 14.041 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.058 10.974 14.626 1.00 12.39 N ATOM 0 H GLN A 31 11.924 5.125 12.171 1.00 10.34 H new ATOM 0 HA GLN A 31 12.404 6.192 14.933 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.958 7.420 12.534 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.295 7.927 12.750 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.692 8.165 15.296 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.628 8.976 14.057 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.040 11.126 14.858 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.405 11.757 14.636 1.00 12.39 H new ATOM 500 N LEU A 32 9.853 7.117 14.996 1.00 6.80 N ATOM 501 CA LEU A 32 8.399 7.128 15.310 1.00 10.34 C ATOM 502 C LEU A 32 7.877 8.560 15.177 1.00 9.02 C ATOM 503 O LEU A 32 8.583 9.513 15.439 1.00 11.15 O ATOM 504 CB LEU A 32 8.182 6.634 16.741 1.00 10.20 C ATOM 505 CG LEU A 32 8.478 5.136 16.812 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.530 4.695 18.277 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.374 4.364 16.084 1.00 15.89 C ATOM 0 H LEU A 32 10.385 7.890 15.396 1.00 6.80 H new ATOM 0 HA LEU A 32 7.865 6.474 14.621 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.832 7.177 17.427 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.156 6.828 17.053 1.00 10.20 H new ATOM 0 HG LEU A 32 9.438 4.931 16.338 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.741 3.627 18.328 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.315 5.245 18.795 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.571 4.898 18.752 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.584 3.296 16.134 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.414 4.568 16.558 1.00 15.89 H new ATOM 0 HD23 LEU A 32 7.337 4.678 15.041 1.00 15.89 H new ATOM 519 N CYS A 33 6.647 8.720 14.776 1.00 9.68 N ATOM 520 CA CYS A 33 6.077 10.085 14.630 1.00 8.10 C ATOM 521 C CYS A 33 4.578 9.988 14.850 1.00 6.34 C ATOM 522 O CYS A 33 4.060 8.933 15.138 1.00 8.02 O ATOM 523 CB CYS A 33 6.354 10.637 13.226 1.00 8.88 C ATOM 524 SG CYS A 33 7.975 10.076 12.650 1.00 13.84 S ATOM 0 H CYS A 33 6.010 7.959 14.542 1.00 9.68 H new ATOM 0 HA CYS A 33 6.534 10.757 15.356 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.579 10.305 12.536 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.321 11.726 13.241 1.00 8.88 H new ATOM 0 HG CYS A 33 8.775 9.945 13.666 1.00 13.84 H new ATOM 530 N TYR A 34 3.871 11.067 14.719 1.00 7.35 N ATOM 531 CA TYR A 34 2.406 11.002 14.934 1.00 7.08 C ATOM 532 C TYR A 34 1.686 11.608 13.740 1.00 7.71 C ATOM 533 O TYR A 34 1.754 12.796 13.506 1.00 7.80 O ATOM 534 CB TYR A 34 2.046 11.799 16.175 1.00 8.67 C ATOM 535 CG TYR A 34 2.258 10.960 17.409 1.00 9.11 C ATOM 536 CD1 TYR A 34 3.495 10.984 18.055 1.00 12.44 C ATOM 537 CD2 TYR A 34 1.210 10.183 17.923 1.00 13.61 C ATOM 538 CE1 TYR A 34 3.687 10.238 19.218 1.00 16.38 C ATOM 539 CE2 TYR A 34 1.404 9.435 19.084 1.00 17.22 C ATOM 540 CZ TYR A 34 2.640 9.467 19.732 1.00 16.83 C ATOM 541 OH TYR A 34 2.832 8.731 20.883 1.00 21.14 O ATOM 0 H TYR A 34 4.240 11.986 14.474 1.00 7.35 H new ATOM 0 HA TYR A 34 2.107 9.961 15.056 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.658 12.699 16.229 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.007 12.123 16.120 1.00 8.67 H new ATOM 0 HD1 TYR A 34 4.302 11.579 17.655 1.00 12.44 H new ATOM 0 HD2 TYR A 34 0.254 10.164 17.421 1.00 13.61 H new ATOM 0 HE1 TYR A 34 4.643 10.256 19.721 1.00 16.38 H new ATOM 0 HE2 TYR A 34 0.600 8.833 19.481 1.00 17.22 H new ATOM 0 HH TYR A 34 2.007 8.252 21.107 1.00 21.14 H new ATOM 551 N VAL A 35 0.987 10.812 12.989 1.00 9.44 N ATOM 552 CA VAL A 35 0.262 11.365 11.821 1.00 10.66 C ATOM 553 C VAL A 35 -1.233 11.399 12.112 1.00 10.57 C ATOM 554 O VAL A 35 -1.885 10.376 12.170 1.00 8.31 O ATOM 555 CB VAL A 35 0.517 10.495 10.590 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.214 11.097 9.388 1.00 7.97 C ATOM 557 CG2 VAL A 35 2.020 10.446 10.303 1.00 9.86 C ATOM 0 H VAL A 35 0.887 9.807 13.133 1.00 9.44 H new ATOM 0 HA VAL A 35 0.620 12.377 11.630 1.00 10.66 H new ATOM 0 HB VAL A 35 0.151 9.485 10.772 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.035 10.480 8.507 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.284 11.134 9.594 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.156 12.106 9.205 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.203 9.826 9.425 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.388 11.455 10.117 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.541 10.022 11.162 1.00 9.86 H new ATOM 567 N ASP A 36 -1.794 12.565 12.282 1.00 8.58 N ATOM 568 CA ASP A 36 -3.244 12.633 12.536 1.00 11.48 C ATOM 569 C ASP A 36 -3.934 11.956 11.362 1.00 12.38 C ATOM 570 O ASP A 36 -4.893 11.230 11.521 1.00 11.89 O ATOM 571 CB ASP A 36 -3.689 14.094 12.634 1.00 16.17 C ATOM 572 CG ASP A 36 -3.175 14.866 11.418 1.00 17.97 C ATOM 573 OD1 ASP A 36 -3.863 14.873 10.411 1.00 15.67 O ATOM 574 OD2 ASP A 36 -2.101 15.437 11.514 1.00 25.89 O ATOM 0 H ASP A 36 -1.308 13.462 12.255 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.499 12.139 13.474 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -4.776 14.152 12.682 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.305 14.541 13.551 1.00 16.17 H new ATOM 579 N LEU A 37 -3.422 12.183 10.178 1.00 13.17 N ATOM 580 CA LEU A 37 -4.006 11.554 8.966 1.00 18.47 C ATOM 581 C LEU A 37 -5.434 12.051 8.787 1.00 21.14 C ATOM 582 O LEU A 37 -5.737 12.823 7.900 1.00 24.24 O ATOM 583 CB LEU A 37 -4.007 10.037 9.151 1.00 15.81 C ATOM 584 CG LEU A 37 -4.657 9.370 7.945 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.921 8.067 7.642 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.126 9.071 8.261 1.00 20.01 C ATOM 0 H LEU A 37 -2.617 12.784 10.003 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.420 11.815 8.085 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -2.986 9.676 9.271 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.548 9.773 10.060 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.603 10.031 7.080 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.379 7.582 6.780 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.875 8.282 7.424 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.983 7.405 8.506 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.594 8.594 7.400 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -6.185 8.405 9.122 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.646 10.002 8.487 1.00 20.01 H new ATOM 598 N GLY A 38 -6.304 11.612 9.638 1.00 20.70 N ATOM 599 CA GLY A 38 -7.717 12.038 9.564 1.00 23.91 C ATOM 600 C GLY A 38 -8.481 11.394 10.724 1.00 26.50 C ATOM 601 O GLY A 38 -9.585 10.915 10.564 1.00 31.02 O ATOM 0 H GLY A 38 -6.092 10.964 10.396 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.788 13.124 9.620 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.153 11.739 8.611 1.00 23.91 H new ATOM 605 N ASN A 39 -7.887 11.363 11.893 1.00 27.64 N ATOM 606 CA ASN A 39 -8.564 10.733 13.058 1.00 30.27 C ATOM 607 C ASN A 39 -8.661 11.727 14.223 1.00 26.79 C ATOM 608 O ASN A 39 -8.782 11.344 15.370 1.00 26.87 O ATOM 609 CB ASN A 39 -7.767 9.500 13.498 1.00 35.62 C ATOM 610 CG ASN A 39 -7.209 8.783 12.264 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.874 8.687 11.252 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.005 8.273 12.305 1.00 39.63 N ATOM 0 H ASN A 39 -6.962 11.748 12.085 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.572 10.438 12.767 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.952 9.797 14.158 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.407 8.824 14.066 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.625 7.795 11.488 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.446 8.353 13.154 1.00 39.63 H new ATOM 619 N GLU A 40 -8.623 12.996 13.935 1.00 25.15 N ATOM 620 CA GLU A 40 -8.728 14.023 15.018 1.00 23.81 C ATOM 621 C GLU A 40 -7.732 13.725 16.148 1.00 21.12 C ATOM 622 O GLU A 40 -7.873 14.213 17.251 1.00 19.86 O ATOM 623 CB GLU A 40 -10.150 14.017 15.585 1.00 27.22 C ATOM 624 CG GLU A 40 -11.122 14.558 14.535 1.00 34.87 C ATOM 625 CD GLU A 40 -12.310 15.222 15.234 1.00 38.97 C ATOM 626 OE1 GLU A 40 -13.262 14.520 15.536 1.00 42.34 O ATOM 627 OE2 GLU A 40 -12.249 16.420 15.455 1.00 39.54 O ATOM 0 H GLU A 40 -8.523 13.373 12.992 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.496 15.000 14.595 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.434 13.004 15.871 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.196 14.628 16.487 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.616 15.278 13.892 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.470 13.748 13.894 1.00 34.87 H new ATOM 634 N HIS A 41 -6.726 12.941 15.882 1.00 4.74 N ATOM 635 CA HIS A 41 -5.719 12.621 16.939 1.00 4.37 C ATOM 636 C HIS A 41 -4.445 12.130 16.254 1.00 3.48 C ATOM 637 O HIS A 41 -4.505 11.635 15.148 1.00 2.60 O ATOM 638 CB HIS A 41 -6.265 11.527 17.860 1.00 4.67 C ATOM 639 CG HIS A 41 -7.520 12.015 18.529 1.00 4.49 C ATOM 640 ND1 HIS A 41 -7.506 13.021 19.483 1.00 4.94 N ATOM 641 CD2 HIS A 41 -8.836 11.647 18.392 1.00 5.39 C ATOM 642 CE1 HIS A 41 -8.777 13.222 19.879 1.00 6.36 C ATOM 643 NE2 HIS A 41 -9.628 12.410 19.245 1.00 6.99 N ATOM 0 H HIS A 41 -6.554 12.505 14.976 1.00 4.74 H new ATOM 0 HA HIS A 41 -5.507 13.508 17.537 1.00 4.37 H new ATOM 0 HB2 HIS A 41 -6.474 10.624 17.286 1.00 4.67 H new ATOM 0 HB3 HIS A 41 -5.520 11.263 18.610 1.00 4.67 H new ATOM 0 HD2 HIS A 41 -9.201 10.881 17.723 1.00 5.39 H new ATOM 0 HE1 HIS A 41 -9.073 13.951 20.619 1.00 6.36 H new ATOM 0 HE2 HIS A 41 -10.640 12.360 19.361 1.00 6.99 H new ATOM 651 N PRO A 42 -3.327 12.284 16.915 1.00 15.11 N ATOM 652 CA PRO A 42 -2.031 11.869 16.358 1.00 16.08 C ATOM 653 C PRO A 42 -1.874 10.358 16.439 1.00 17.92 C ATOM 654 O PRO A 42 -2.137 9.748 17.456 1.00 17.13 O ATOM 655 CB PRO A 42 -1.009 12.550 17.262 1.00 16.41 C ATOM 656 CG PRO A 42 -1.729 12.825 18.595 1.00 13.79 C ATOM 657 CD PRO A 42 -3.240 12.869 18.271 1.00 16.28 C ATOM 0 HA PRO A 42 -1.920 12.140 15.308 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.138 11.912 17.414 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.651 13.477 16.815 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.510 12.044 19.323 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.397 13.768 19.029 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.821 12.294 18.993 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.624 13.889 18.292 1.00 16.28 H new ATOM 665 N VAL A 43 -1.432 9.749 15.383 1.00 16.29 N ATOM 666 CA VAL A 43 -1.241 8.281 15.414 1.00 14.28 C ATOM 667 C VAL A 43 0.252 7.981 15.420 1.00 9.00 C ATOM 668 O VAL A 43 0.966 8.303 14.491 1.00 7.99 O ATOM 669 CB VAL A 43 -1.900 7.642 14.192 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.291 8.247 13.987 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.045 7.896 12.947 1.00 20.57 C ATOM 0 H VAL A 43 -1.195 10.203 14.501 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.703 7.868 16.311 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.989 6.568 14.354 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.761 7.791 13.115 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.903 8.059 14.869 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.201 9.322 13.830 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.520 7.438 12.080 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.950 8.970 12.784 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.056 7.462 13.090 1.00 20.57 H new ATOM 681 N LEU A 44 0.734 7.377 16.465 1.00 10.19 N ATOM 682 CA LEU A 44 2.180 7.073 16.527 1.00 11.55 C ATOM 683 C LEU A 44 2.521 6.020 15.477 1.00 10.61 C ATOM 684 O LEU A 44 2.276 4.843 15.652 1.00 13.49 O ATOM 685 CB LEU A 44 2.542 6.562 17.914 1.00 10.60 C ATOM 686 CG LEU A 44 4.021 6.190 17.937 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.862 7.430 17.622 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.393 5.657 19.322 1.00 20.21 C ATOM 0 H LEU A 44 0.189 7.082 17.275 1.00 10.19 H new ATOM 0 HA LEU A 44 2.751 7.980 16.327 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.335 7.327 18.663 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.932 5.695 18.167 1.00 10.60 H new ATOM 0 HG LEU A 44 4.214 5.420 17.190 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.919 7.166 17.638 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.597 7.808 16.635 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.669 8.200 18.369 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.450 5.391 19.338 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.201 6.425 20.071 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.794 4.774 19.545 1.00 20.21 H new ATOM 700 N VAL A 45 3.084 6.444 14.385 1.00 10.81 N ATOM 701 CA VAL A 45 3.447 5.487 13.305 1.00 9.29 C ATOM 702 C VAL A 45 4.952 5.245 13.328 1.00 9.95 C ATOM 703 O VAL A 45 5.694 5.954 13.978 1.00 9.36 O ATOM 704 CB VAL A 45 3.040 6.068 11.957 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.707 5.278 10.827 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.519 5.982 11.810 1.00 10.20 C ATOM 0 H VAL A 45 3.311 7.419 14.191 1.00 10.81 H new ATOM 0 HA VAL A 45 2.927 4.542 13.462 1.00 9.29 H new ATOM 0 HB VAL A 45 3.358 7.109 11.901 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.412 5.698 9.866 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.790 5.337 10.932 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.394 4.235 10.878 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.223 6.397 10.847 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.206 4.939 11.868 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.043 6.549 12.611 1.00 10.20 H new ATOM 716 N LYS A 46 5.413 4.246 12.631 1.00 10.76 N ATOM 717 CA LYS A 46 6.871 3.968 12.630 1.00 12.81 C ATOM 718 C LYS A 46 7.521 4.559 11.376 1.00 13.35 C ATOM 719 O LYS A 46 6.914 4.643 10.327 1.00 12.90 O ATOM 720 CB LYS A 46 7.107 2.457 12.667 1.00 17.04 C ATOM 721 CG LYS A 46 8.572 2.175 13.006 1.00 26.60 C ATOM 722 CD LYS A 46 8.896 0.712 12.696 1.00 33.77 C ATOM 723 CE LYS A 46 8.519 -0.160 13.895 1.00 34.48 C ATOM 724 NZ LYS A 46 8.490 -1.591 13.478 1.00 36.74 N ATOM 0 H LYS A 46 4.846 3.614 12.066 1.00 10.76 H new ATOM 0 HA LYS A 46 7.319 4.428 13.511 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.456 1.995 13.409 1.00 17.04 H new ATOM 0 HB3 LYS A 46 6.855 2.016 11.703 1.00 17.04 H new ATOM 0 HG2 LYS A 46 9.223 2.833 12.429 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.759 2.385 14.059 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.349 0.387 11.811 1.00 33.77 H new ATOM 0 HD3 LYS A 46 9.957 0.603 12.473 1.00 33.77 H new ATOM 0 HE2 LYS A 46 9.239 -0.019 14.701 1.00 34.48 H new ATOM 0 HE3 LYS A 46 7.544 0.137 14.282 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.234 -2.185 14.292 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.787 -1.718 12.722 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.429 -1.870 13.128 1.00 36.74 H new ATOM 738 N ILE A 47 8.758 4.966 11.481 1.00 13.96 N ATOM 739 CA ILE A 47 9.459 5.547 10.307 1.00 16.93 C ATOM 740 C ILE A 47 10.797 4.819 10.114 1.00 16.52 C ATOM 741 O ILE A 47 11.284 4.150 11.004 1.00 17.67 O ATOM 742 CB ILE A 47 9.671 7.062 10.539 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.947 7.843 9.445 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.160 7.439 10.503 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.784 8.626 10.055 1.00 18.26 C ATOM 0 H ILE A 47 9.313 4.919 12.336 1.00 13.96 H new ATOM 0 HA ILE A 47 8.863 5.421 9.403 1.00 16.93 H new ATOM 0 HB ILE A 47 9.275 7.308 11.524 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.640 8.526 8.953 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.577 7.159 8.681 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.268 8.511 10.670 1.00 18.08 H new ATOM 0 HG22 ILE A 47 11.692 6.895 11.283 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.578 7.179 9.530 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.269 9.182 9.272 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.087 7.933 10.526 1.00 18.26 H new ATOM 0 HD13 ILE A 47 8.166 9.321 10.803 1.00 18.26 H new ATOM 757 N THR A 48 11.392 4.948 8.962 1.00 16.86 N ATOM 758 CA THR A 48 12.692 4.272 8.713 1.00 16.59 C ATOM 759 C THR A 48 13.793 5.329 8.592 1.00 19.04 C ATOM 760 O THR A 48 13.625 6.339 7.939 1.00 22.56 O ATOM 761 CB THR A 48 12.601 3.472 7.415 1.00 16.30 C ATOM 762 OG1 THR A 48 11.410 2.697 7.421 1.00 17.90 O ATOM 763 CG2 THR A 48 13.811 2.549 7.293 1.00 16.02 C ATOM 0 H THR A 48 11.032 5.495 8.180 1.00 16.86 H new ATOM 0 HA THR A 48 12.925 3.599 9.538 1.00 16.59 H new ATOM 0 HB THR A 48 12.586 4.157 6.568 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.349 2.184 6.588 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.743 1.980 6.366 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.724 3.145 7.287 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.832 1.862 8.139 1.00 16.02 H new ATOM 771 N LEU A 49 14.915 5.108 9.219 1.00 18.35 N ATOM 772 CA LEU A 49 16.020 6.105 9.143 1.00 18.82 C ATOM 773 C LEU A 49 17.188 5.512 8.353 1.00 20.06 C ATOM 774 O LEU A 49 17.389 4.314 8.326 1.00 18.35 O ATOM 775 CB LEU A 49 16.482 6.457 10.564 1.00 18.79 C ATOM 776 CG LEU A 49 16.330 7.958 10.825 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.490 8.711 10.166 1.00 20.41 C ATOM 778 CD2 LEU A 49 15.001 8.465 10.256 1.00 14.50 C ATOM 0 H LEU A 49 15.115 4.280 9.781 1.00 18.35 H new ATOM 0 HA LEU A 49 15.668 7.007 8.642 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.897 5.895 11.292 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.523 6.163 10.697 1.00 18.79 H new ATOM 0 HG LEU A 49 16.342 8.133 11.901 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.382 9.780 10.352 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.434 8.363 10.585 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.480 8.526 9.092 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.907 9.534 10.449 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.974 8.287 9.181 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.176 7.936 10.733 1.00 14.50 H new ATOM 790 N ASP A 50 17.955 6.343 7.702 1.00 22.62 N ATOM 791 CA ASP A 50 19.106 5.830 6.908 1.00 27.04 C ATOM 792 C ASP A 50 20.340 5.710 7.805 1.00 27.73 C ATOM 793 O ASP A 50 20.275 5.917 9.000 1.00 26.65 O ATOM 794 CB ASP A 50 19.403 6.799 5.761 1.00 29.11 C ATOM 795 CG ASP A 50 19.605 6.011 4.466 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.613 5.661 3.848 1.00 30.76 O ATOM 797 OD2 ASP A 50 20.748 5.771 4.113 1.00 33.99 O ATOM 0 H ASP A 50 17.834 7.356 7.686 1.00 22.62 H new ATOM 0 HA ASP A 50 18.857 4.849 6.504 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.580 7.505 5.645 1.00 29.11 H new ATOM 0 HB3 ASP A 50 20.295 7.383 5.986 1.00 29.11 H new ATOM 802 N GLU A 51 21.465 5.374 7.234 1.00 31.16 N ATOM 803 CA GLU A 51 22.705 5.237 8.048 1.00 34.22 C ATOM 804 C GLU A 51 23.387 6.601 8.177 1.00 34.98 C ATOM 805 O GLU A 51 24.010 7.084 7.252 1.00 34.19 O ATOM 806 CB GLU A 51 23.657 4.255 7.361 1.00 38.24 C ATOM 807 CG GLU A 51 24.009 3.120 8.325 1.00 46.84 C ATOM 808 CD GLU A 51 25.329 2.477 7.896 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.881 2.913 6.899 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.766 1.561 8.572 1.00 53.83 O ATOM 0 H GLU A 51 21.578 5.188 6.237 1.00 31.16 H new ATOM 0 HA GLU A 51 22.449 4.865 9.040 1.00 34.22 H new ATOM 0 HB2 GLU A 51 23.192 3.851 6.462 1.00 38.24 H new ATOM 0 HB3 GLU A 51 24.563 4.772 7.046 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.093 3.505 9.341 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.214 2.374 8.331 1.00 46.84 H new ATOM 817 N GLY A 52 23.277 7.225 9.318 1.00 34.53 N ATOM 818 CA GLY A 52 23.921 8.556 9.505 1.00 34.93 C ATOM 819 C GLY A 52 22.869 9.658 9.371 1.00 36.10 C ATOM 820 O GLY A 52 23.132 10.816 9.630 1.00 35.97 O ATOM 0 H GLY A 52 22.769 6.871 10.129 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.394 8.608 10.486 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.708 8.698 8.764 1.00 34.93 H new ATOM 824 N GLN A 53 21.678 9.310 8.966 1.00 36.52 N ATOM 825 CA GLN A 53 20.612 10.340 8.814 1.00 35.40 C ATOM 826 C GLN A 53 20.038 10.691 10.191 1.00 31.02 C ATOM 827 O GLN A 53 19.910 9.834 11.043 1.00 29.05 O ATOM 828 CB GLN A 53 19.494 9.787 7.926 1.00 41.20 C ATOM 829 CG GLN A 53 19.638 10.351 6.511 1.00 47.61 C ATOM 830 CD GLN A 53 18.250 10.607 5.921 1.00 53.32 C ATOM 831 OE1 GLN A 53 18.062 11.534 5.159 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.261 9.818 6.245 1.00 54.76 N ATOM 0 H GLN A 53 21.397 8.357 8.734 1.00 36.52 H new ATOM 0 HA GLN A 53 21.035 11.235 8.357 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.540 8.698 7.901 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.521 10.055 8.338 1.00 41.20 H new ATOM 0 HG2 GLN A 53 20.212 11.277 6.534 1.00 47.61 H new ATOM 0 HG3 GLN A 53 20.188 9.651 5.883 1.00 47.61 H new ATOM 0 HE21 GLN A 53 17.418 9.039 6.885 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.331 9.980 5.858 1.00 54.76 H new ATOM 841 N PRO A 54 19.705 11.946 10.366 1.00 27.43 N ATOM 842 CA PRO A 54 19.137 12.448 11.628 1.00 23.44 C ATOM 843 C PRO A 54 17.646 12.107 11.715 1.00 20.14 C ATOM 844 O PRO A 54 16.835 12.642 10.984 1.00 21.64 O ATOM 845 CB PRO A 54 19.347 13.958 11.543 1.00 24.39 C ATOM 846 CG PRO A 54 19.491 14.291 10.043 1.00 27.18 C ATOM 847 CD PRO A 54 19.868 12.981 9.328 1.00 28.37 C ATOM 0 HA PRO A 54 19.601 12.009 12.511 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.504 14.493 11.981 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.237 14.259 12.095 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.559 14.693 9.646 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.258 15.050 9.888 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.220 12.793 8.472 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.891 13.012 8.953 1.00 28.37 H new ATOM 855 N ALA A 55 17.280 11.220 12.599 1.00 17.21 N ATOM 856 CA ALA A 55 15.845 10.841 12.732 1.00 15.58 C ATOM 857 C ALA A 55 14.962 12.089 12.652 1.00 16.41 C ATOM 858 O ALA A 55 15.414 13.197 12.858 1.00 13.65 O ATOM 859 CB ALA A 55 15.634 10.156 14.080 1.00 13.98 C ATOM 0 H ALA A 55 17.915 10.740 13.237 1.00 17.21 H new ATOM 0 HA ALA A 55 15.574 10.163 11.923 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.586 9.875 14.185 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.256 9.263 14.136 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.909 10.840 14.883 1.00 13.98 H new ATOM 865 N TYR A 56 13.701 11.912 12.357 1.00 15.93 N ATOM 866 CA TYR A 56 12.782 13.082 12.268 1.00 14.61 C ATOM 867 C TYR A 56 12.854 13.879 13.572 1.00 15.51 C ATOM 868 O TYR A 56 12.421 13.425 14.612 1.00 17.19 O ATOM 869 CB TYR A 56 11.348 12.589 12.037 1.00 12.92 C ATOM 870 CG TYR A 56 11.240 11.917 10.676 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.361 11.843 9.832 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.023 11.369 10.266 1.00 12.42 C ATOM 873 CE1 TYR A 56 12.256 11.221 8.584 1.00 7.90 C ATOM 874 CE2 TYR A 56 9.921 10.748 9.020 1.00 11.47 C ATOM 875 CZ TYR A 56 11.036 10.673 8.178 1.00 10.29 C ATOM 876 OH TYR A 56 10.930 10.059 6.946 1.00 12.03 O ATOM 0 H TYR A 56 13.269 11.007 12.174 1.00 15.93 H new ATOM 0 HA TYR A 56 13.078 13.721 11.436 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.066 11.887 12.822 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.653 13.427 12.094 1.00 12.92 H new ATOM 0 HD1 TYR A 56 13.303 12.266 10.147 1.00 7.14 H new ATOM 0 HD2 TYR A 56 9.160 11.426 10.913 1.00 12.42 H new ATOM 0 HE1 TYR A 56 13.117 11.164 7.934 1.00 7.90 H new ATOM 0 HE2 TYR A 56 8.979 10.324 8.705 1.00 11.47 H new ATOM 0 HH TYR A 56 10.106 9.530 6.914 1.00 12.03 H new ATOM 886 N ALA A 57 13.405 15.061 13.526 1.00 13.38 N ATOM 887 CA ALA A 57 13.511 15.885 14.763 1.00 14.95 C ATOM 888 C ALA A 57 12.109 16.168 15.311 1.00 15.46 C ATOM 889 O ALA A 57 11.122 15.797 14.707 1.00 17.82 O ATOM 890 CB ALA A 57 14.207 17.208 14.436 1.00 14.98 C ATOM 0 H ALA A 57 13.787 15.492 12.684 1.00 13.38 H new ATOM 0 HA ALA A 57 14.091 15.344 15.511 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.285 17.811 15.340 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.205 17.007 14.046 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.627 17.749 13.688 1.00 14.98 H new ATOM 896 N PRO A 58 12.066 16.822 16.445 1.00 15.20 N ATOM 897 CA PRO A 58 10.801 17.176 17.111 1.00 16.55 C ATOM 898 C PRO A 58 10.170 18.396 16.434 1.00 16.75 C ATOM 899 O PRO A 58 10.716 19.482 16.461 1.00 17.28 O ATOM 900 CB PRO A 58 11.230 17.508 18.542 1.00 15.65 C ATOM 901 CG PRO A 58 12.732 17.876 18.474 1.00 14.16 C ATOM 902 CD PRO A 58 13.275 17.268 17.168 1.00 13.96 C ATOM 0 HA PRO A 58 10.055 16.383 17.069 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.645 18.337 18.940 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.068 16.657 19.203 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.867 18.958 18.483 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.267 17.481 19.337 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.836 18.002 16.590 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.950 16.435 17.367 1.00 13.96 H new ATOM 910 N GLY A 59 9.028 18.230 15.825 1.00 17.22 N ATOM 911 CA GLY A 59 8.377 19.386 15.149 1.00 15.08 C ATOM 912 C GLY A 59 7.150 18.911 14.369 1.00 14.96 C ATOM 913 O GLY A 59 6.834 17.740 14.348 1.00 13.79 O ATOM 0 H GLY A 59 8.520 17.348 15.767 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.083 20.132 15.888 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.084 19.868 14.474 1.00 15.08 H new ATOM 917 N LEU A 60 6.461 19.814 13.720 1.00 15.83 N ATOM 918 CA LEU A 60 5.265 19.415 12.924 1.00 14.53 C ATOM 919 C LEU A 60 5.747 18.749 11.638 1.00 14.15 C ATOM 920 O LEU A 60 6.777 19.107 11.105 1.00 13.27 O ATOM 921 CB LEU A 60 4.448 20.663 12.575 1.00 15.84 C ATOM 922 CG LEU A 60 2.983 20.435 12.938 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.266 21.783 13.045 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.316 19.584 11.854 1.00 15.01 C ATOM 0 H LEU A 60 6.676 20.811 13.708 1.00 15.83 H new ATOM 0 HA LEU A 60 4.642 18.727 13.496 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.836 21.527 13.115 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.539 20.884 11.512 1.00 15.84 H new ATOM 0 HG LEU A 60 2.922 19.917 13.895 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.220 21.619 13.304 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.741 22.387 13.818 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.326 22.304 12.089 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.270 19.421 12.112 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.377 20.101 10.897 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.826 18.623 11.780 1.00 15.01 H new ATOM 936 N TYR A 61 5.036 17.779 11.130 1.00 11.12 N ATOM 937 CA TYR A 61 5.508 17.118 9.889 1.00 9.57 C ATOM 938 C TYR A 61 4.402 16.985 8.865 1.00 11.76 C ATOM 939 O TYR A 61 3.226 17.074 9.157 1.00 11.26 O ATOM 940 CB TYR A 61 6.052 15.735 10.214 1.00 9.42 C ATOM 941 CG TYR A 61 7.468 15.884 10.678 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.726 16.417 11.939 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.521 15.513 9.836 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.042 16.580 12.369 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.840 15.676 10.263 1.00 13.99 C ATOM 946 CZ TYR A 61 10.098 16.210 11.529 1.00 11.06 C ATOM 947 OH TYR A 61 11.401 16.370 11.959 1.00 14.61 O ATOM 0 H TYR A 61 4.162 17.423 11.517 1.00 11.12 H new ATOM 0 HA TYR A 61 6.293 17.744 9.465 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.447 15.261 10.987 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.006 15.093 9.335 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.907 16.704 12.583 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.315 15.102 8.859 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.246 16.990 13.347 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.658 15.391 9.618 1.00 13.99 H new ATOM 0 HH TYR A 61 11.420 16.407 12.938 1.00 14.61 H new ATOM 957 N THR A 62 4.805 16.745 7.658 1.00 12.22 N ATOM 958 CA THR A 62 3.849 16.565 6.553 1.00 14.26 C ATOM 959 C THR A 62 4.451 15.532 5.622 1.00 15.40 C ATOM 960 O THR A 62 5.537 15.705 5.104 1.00 16.24 O ATOM 961 CB THR A 62 3.654 17.879 5.812 1.00 15.07 C ATOM 962 OG1 THR A 62 4.873 18.256 5.186 1.00 18.36 O ATOM 963 CG2 THR A 62 3.229 18.957 6.806 1.00 11.61 C ATOM 0 H THR A 62 5.785 16.665 7.388 1.00 12.22 H new ATOM 0 HA THR A 62 2.876 16.243 6.925 1.00 14.26 H new ATOM 0 HB THR A 62 2.882 17.762 5.051 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.272 17.474 4.750 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.088 19.901 6.280 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.294 18.664 7.283 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.002 19.077 7.565 1.00 11.61 H new ATOM 971 N VAL A 63 3.780 14.451 5.430 1.00 14.65 N ATOM 972 CA VAL A 63 4.346 13.398 4.556 1.00 15.17 C ATOM 973 C VAL A 63 4.851 14.033 3.266 1.00 14.24 C ATOM 974 O VAL A 63 4.612 15.192 2.992 1.00 19.13 O ATOM 975 CB VAL A 63 3.290 12.346 4.251 1.00 15.23 C ATOM 976 CG1 VAL A 63 3.965 11.136 3.612 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.611 11.918 5.558 1.00 18.64 C ATOM 0 H VAL A 63 2.867 14.244 5.835 1.00 14.65 H new ATOM 0 HA VAL A 63 5.177 12.911 5.066 1.00 15.17 H new ATOM 0 HB VAL A 63 2.544 12.755 3.570 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.215 10.376 3.390 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.458 11.440 2.689 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.704 10.726 4.300 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.853 11.164 5.344 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.356 11.502 6.236 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.140 12.784 6.024 1.00 18.64 H new ATOM 987 N HIS A 64 5.557 13.282 2.479 1.00 13.31 N ATOM 988 CA HIS A 64 6.095 13.832 1.207 1.00 10.78 C ATOM 989 C HIS A 64 5.849 12.820 0.084 1.00 14.19 C ATOM 990 O HIS A 64 6.281 11.683 0.156 1.00 11.59 O ATOM 991 CB HIS A 64 7.597 14.082 1.356 1.00 11.86 C ATOM 992 CG HIS A 64 8.038 15.138 0.380 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.393 15.343 -0.829 1.00 17.90 N ATOM 994 CD2 HIS A 64 9.075 16.038 0.410 1.00 17.63 C ATOM 995 CE1 HIS A 64 8.046 16.323 -1.476 1.00 19.32 C ATOM 996 NE2 HIS A 64 9.079 16.785 -0.765 1.00 20.65 N ATOM 0 H HIS A 64 5.787 12.305 2.660 1.00 13.31 H new ATOM 0 HA HIS A 64 5.597 14.772 0.969 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.823 14.398 2.374 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.148 13.158 1.180 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.780 16.149 1.221 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.770 16.693 -2.452 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.730 17.525 -1.027 1.00 20.65 H new ATOM 1004 N LEU A 65 5.153 13.223 -0.946 1.00 12.93 N ATOM 1005 CA LEU A 65 4.867 12.292 -2.072 1.00 14.44 C ATOM 1006 C LEU A 65 6.175 11.933 -2.777 1.00 12.66 C ATOM 1007 O LEU A 65 6.218 11.053 -3.613 1.00 10.20 O ATOM 1008 CB LEU A 65 3.850 12.973 -3.018 1.00 14.94 C ATOM 1009 CG LEU A 65 4.339 13.069 -4.476 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.425 12.239 -5.376 1.00 15.75 C ATOM 1011 CD2 LEU A 65 4.301 14.534 -4.921 1.00 19.03 C ATOM 0 H LEU A 65 4.769 14.162 -1.054 1.00 12.93 H new ATOM 0 HA LEU A 65 4.429 11.359 -1.717 1.00 14.44 H new ATOM 0 HB2 LEU A 65 2.913 12.417 -2.993 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.636 13.976 -2.648 1.00 14.94 H new ATOM 0 HG LEU A 65 5.358 12.689 -4.548 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.771 12.307 -6.407 1.00 15.75 H new ATOM 0 HD12 LEU A 65 3.445 11.198 -5.054 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.406 12.619 -5.309 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.646 14.610 -5.952 1.00 19.03 H new ATOM 0 HD22 LEU A 65 3.280 14.909 -4.851 1.00 19.03 H new ATOM 0 HD23 LEU A 65 4.950 15.127 -4.277 1.00 19.03 H new ATOM 1023 N SER A 66 7.244 12.596 -2.441 1.00 13.51 N ATOM 1024 CA SER A 66 8.541 12.279 -3.088 1.00 10.39 C ATOM 1025 C SER A 66 8.819 10.783 -2.933 1.00 8.56 C ATOM 1026 O SER A 66 9.657 10.223 -3.612 1.00 11.70 O ATOM 1027 CB SER A 66 9.656 13.079 -2.414 1.00 12.88 C ATOM 1028 OG SER A 66 9.830 12.612 -1.083 1.00 14.72 O ATOM 0 H SER A 66 7.274 13.343 -1.747 1.00 13.51 H new ATOM 0 HA SER A 66 8.501 12.540 -4.146 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.585 12.972 -2.974 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.407 14.140 -2.410 1.00 12.88 H new ATOM 0 HG SER A 66 10.545 13.122 -0.648 1.00 14.72 H new ATOM 1034 N SER A 67 8.130 10.131 -2.031 1.00 7.98 N ATOM 1035 CA SER A 67 8.369 8.676 -1.825 1.00 8.20 C ATOM 1036 C SER A 67 7.245 7.837 -2.451 1.00 11.02 C ATOM 1037 O SER A 67 7.321 6.625 -2.483 1.00 11.45 O ATOM 1038 CB SER A 67 8.427 8.380 -0.332 1.00 8.01 C ATOM 1039 OG SER A 67 9.701 7.840 -0.006 1.00 11.22 O ATOM 0 H SER A 67 7.415 10.544 -1.432 1.00 7.98 H new ATOM 0 HA SER A 67 9.312 8.415 -2.305 1.00 8.20 H new ATOM 0 HB2 SER A 67 8.250 9.292 0.238 1.00 8.01 H new ATOM 0 HB3 SER A 67 7.641 7.676 -0.059 1.00 8.01 H new ATOM 0 HG SER A 67 9.585 6.983 0.454 1.00 11.22 H new ATOM 1045 N PHE A 68 6.199 8.453 -2.935 1.00 10.09 N ATOM 1046 CA PHE A 68 5.090 7.654 -3.533 1.00 11.79 C ATOM 1047 C PHE A 68 5.519 7.121 -4.899 1.00 12.69 C ATOM 1048 O PHE A 68 6.470 7.592 -5.492 1.00 14.25 O ATOM 1049 CB PHE A 68 3.842 8.529 -3.704 1.00 10.08 C ATOM 1050 CG PHE A 68 3.504 9.231 -2.407 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.180 8.911 -1.220 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.517 10.223 -2.401 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.867 9.584 -0.035 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.203 10.893 -1.215 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.880 10.575 -0.033 1.00 11.87 C ATOM 0 H PHE A 68 6.065 9.464 -2.943 1.00 10.09 H new ATOM 0 HA PHE A 68 4.859 6.822 -2.868 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.012 9.266 -4.489 1.00 10.08 H new ATOM 0 HB3 PHE A 68 3.000 7.914 -4.021 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.942 8.145 -1.222 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.997 10.471 -3.314 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.387 9.339 0.879 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.438 11.656 -1.211 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.640 11.095 0.882 1.00 11.87 H new ATOM 1065 N LYS A 69 4.819 6.144 -5.405 1.00 12.51 N ATOM 1066 CA LYS A 69 5.176 5.579 -6.736 1.00 15.38 C ATOM 1067 C LYS A 69 3.911 5.066 -7.423 1.00 15.02 C ATOM 1068 O LYS A 69 2.843 5.044 -6.845 1.00 15.36 O ATOM 1069 CB LYS A 69 6.158 4.421 -6.557 1.00 16.04 C ATOM 1070 CG LYS A 69 7.554 4.973 -6.260 1.00 20.35 C ATOM 1071 CD LYS A 69 8.571 3.831 -6.290 1.00 21.35 C ATOM 1072 CE LYS A 69 9.073 3.555 -4.871 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.202 2.583 -4.924 1.00 32.70 N ATOM 0 H LYS A 69 4.013 5.712 -4.953 1.00 12.51 H new ATOM 0 HA LYS A 69 5.638 6.355 -7.346 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.830 3.776 -5.742 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.182 3.809 -7.458 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.821 5.731 -6.996 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.565 5.458 -5.284 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.113 2.933 -6.706 1.00 21.35 H new ATOM 0 HD3 LYS A 69 9.407 4.092 -6.938 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.400 4.483 -4.402 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.264 3.156 -4.259 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.544 2.395 -3.960 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 9.875 1.695 -5.355 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 10.976 2.980 -5.494 1.00 32.70 H new ATOM 1087 N VAL A 70 4.025 4.646 -8.651 1.00 13.65 N ATOM 1088 CA VAL A 70 2.830 4.126 -9.375 1.00 13.49 C ATOM 1089 C VAL A 70 3.033 2.640 -9.671 1.00 11.85 C ATOM 1090 O VAL A 70 3.852 2.264 -10.485 1.00 12.13 O ATOM 1091 CB VAL A 70 2.635 4.882 -10.689 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.139 5.050 -10.965 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.296 6.262 -10.606 1.00 15.63 C ATOM 0 H VAL A 70 4.894 4.640 -9.186 1.00 13.65 H new ATOM 0 HA VAL A 70 1.946 4.267 -8.753 1.00 13.49 H new ATOM 0 HB VAL A 70 3.096 4.314 -11.497 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.000 5.589 -11.902 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.670 4.069 -11.038 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.680 5.612 -10.152 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.151 6.792 -11.547 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.845 6.833 -9.795 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.363 6.144 -10.417 1.00 15.63 H new ATOM 1103 N GLY A 71 2.295 1.792 -9.011 1.00 11.15 N ATOM 1104 CA GLY A 71 2.446 0.328 -9.249 1.00 11.07 C ATOM 1105 C GLY A 71 1.496 -0.110 -10.366 1.00 12.15 C ATOM 1106 O GLY A 71 0.772 0.690 -10.925 1.00 12.70 O ATOM 0 H GLY A 71 1.593 2.049 -8.317 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.476 0.098 -9.522 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.228 -0.224 -8.335 1.00 11.07 H new ATOM 1110 N GLN A 72 1.492 -1.373 -10.696 1.00 15.78 N ATOM 1111 CA GLN A 72 0.589 -1.856 -11.774 1.00 19.42 C ATOM 1112 C GLN A 72 -0.765 -2.237 -11.174 1.00 16.97 C ATOM 1113 O GLN A 72 -1.377 -3.212 -11.563 1.00 20.46 O ATOM 1114 CB GLN A 72 1.212 -3.077 -12.454 1.00 22.64 C ATOM 1115 CG GLN A 72 1.346 -2.813 -13.956 1.00 25.29 C ATOM 1116 CD GLN A 72 0.030 -2.252 -14.498 1.00 26.29 C ATOM 1117 OE1 GLN A 72 0.029 -1.445 -15.406 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -1.099 -2.648 -13.977 1.00 25.15 N ATOM 0 H GLN A 72 2.076 -2.090 -10.265 1.00 15.78 H new ATOM 0 HA GLN A 72 0.448 -1.065 -12.511 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.191 -3.287 -12.022 1.00 22.64 H new ATOM 0 HB3 GLN A 72 0.593 -3.957 -12.283 1.00 22.64 H new ATOM 0 HG2 GLN A 72 2.157 -2.108 -14.141 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.601 -3.736 -14.476 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -1.099 -3.326 -13.215 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -1.981 -2.280 -14.332 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.236 -1.471 -10.230 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.551 -1.781 -9.602 1.00 14.60 C ATOM 1129 C PHE A 73 -3.560 -0.697 -9.983 1.00 15.63 C ATOM 1130 O PHE A 73 -4.636 -0.613 -9.424 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.392 -1.814 -8.081 1.00 12.63 C ATOM 1132 CG PHE A 73 -1.945 -3.189 -7.651 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -2.614 -4.324 -8.124 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -0.861 -3.330 -6.776 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -2.200 -5.599 -7.723 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -0.446 -4.606 -6.375 1.00 18.68 C ATOM 1137 CZ PHE A 73 -1.116 -5.740 -6.849 1.00 17.88 C ATOM 0 H PHE A 73 -0.766 -0.642 -9.865 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.905 -2.751 -9.952 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.663 -1.068 -7.765 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.337 -1.560 -7.600 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.450 -4.215 -8.799 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -0.345 -2.455 -6.410 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -2.717 -6.474 -8.088 1.00 20.44 H new ATOM 0 HE2 PHE A 73 0.390 -4.715 -5.701 1.00 18.68 H new ATOM 0 HZ PHE A 73 -0.796 -6.724 -6.540 1.00 17.88 H new ATOM 1147 N GLY A 74 -3.220 0.135 -10.927 1.00 13.82 N ATOM 1148 CA GLY A 74 -4.158 1.216 -11.341 1.00 13.44 C ATOM 1149 C GLY A 74 -4.382 2.169 -10.167 1.00 10.42 C ATOM 1150 O GLY A 74 -5.407 2.814 -10.065 1.00 13.62 O ATOM 0 H GLY A 74 -2.333 0.114 -11.430 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -3.750 1.760 -12.193 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -5.107 0.786 -11.662 1.00 13.44 H new ATOM 1154 N SER A 75 -3.431 2.263 -9.278 1.00 12.64 N ATOM 1155 CA SER A 75 -3.590 3.173 -8.109 1.00 12.47 C ATOM 1156 C SER A 75 -2.212 3.604 -7.602 1.00 12.47 C ATOM 1157 O SER A 75 -1.225 2.922 -7.801 1.00 11.32 O ATOM 1158 CB SER A 75 -4.336 2.441 -6.993 1.00 11.21 C ATOM 1159 OG SER A 75 -5.413 1.702 -7.555 1.00 18.27 O ATOM 0 H SER A 75 -2.551 1.749 -9.311 1.00 12.64 H new ATOM 0 HA SER A 75 -4.156 4.054 -8.411 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.657 1.772 -6.464 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.713 3.156 -6.262 1.00 11.21 H new ATOM 0 HG SER A 75 -5.893 1.230 -6.843 1.00 18.27 H new ATOM 1165 N LEU A 76 -2.137 4.731 -6.948 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.824 5.207 -6.427 1.00 12.18 C ATOM 1167 C LEU A 76 -0.343 4.269 -5.319 1.00 12.07 C ATOM 1168 O LEU A 76 -1.050 3.374 -4.900 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.986 6.619 -5.860 1.00 11.99 C ATOM 1170 CG LEU A 76 0.042 7.550 -6.502 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.082 7.477 -8.026 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.213 8.986 -6.036 1.00 7.80 C ATOM 0 H LEU A 76 -2.929 5.343 -6.752 1.00 12.43 H new ATOM 0 HA LEU A 76 -0.094 5.218 -7.236 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.994 6.986 -6.053 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -0.853 6.605 -4.778 1.00 11.99 H new ATOM 0 HG LEU A 76 1.045 7.244 -6.206 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.651 8.141 -8.483 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.099 6.454 -8.357 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.085 7.783 -8.325 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.519 9.652 -6.493 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.216 9.292 -6.332 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.123 9.038 -4.951 1.00 7.80 H new ATOM 1184 N MET A 77 0.855 4.468 -4.841 1.00 14.08 N ATOM 1185 CA MET A 77 1.378 3.588 -3.758 1.00 14.12 C ATOM 1186 C MET A 77 2.523 4.295 -3.030 1.00 11.37 C ATOM 1187 O MET A 77 3.638 4.356 -3.508 1.00 11.44 O ATOM 1188 CB MET A 77 1.889 2.279 -4.360 1.00 16.48 C ATOM 1189 CG MET A 77 0.703 1.382 -4.718 1.00 24.75 C ATOM 1190 SD MET A 77 1.209 -0.354 -4.624 1.00 35.11 S ATOM 1191 CE MET A 77 -0.032 -0.889 -3.422 1.00 33.86 C ATOM 0 H MET A 77 1.493 5.200 -5.153 1.00 14.08 H new ATOM 0 HA MET A 77 0.576 3.373 -3.052 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.484 2.484 -5.250 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.541 1.771 -3.650 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.126 1.568 -4.035 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.348 1.614 -5.722 1.00 24.75 H new ATOM 0 HE1 MET A 77 0.098 -1.951 -3.213 1.00 33.86 H new ATOM 0 HE2 MET A 77 0.086 -0.321 -2.499 1.00 33.86 H new ATOM 0 HE3 MET A 77 -1.029 -0.718 -3.828 1.00 33.86 H new ATOM 1201 N ILE A 78 2.246 4.832 -1.877 1.00 11.78 N ATOM 1202 CA ILE A 78 3.303 5.546 -1.100 1.00 11.62 C ATOM 1203 C ILE A 78 4.616 4.763 -1.161 1.00 11.45 C ATOM 1204 O ILE A 78 5.680 5.326 -1.331 1.00 12.59 O ATOM 1205 CB ILE A 78 2.842 5.698 0.361 1.00 12.05 C ATOM 1206 CG1 ILE A 78 1.981 6.959 0.486 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.048 5.813 1.301 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.812 6.690 1.440 1.00 13.67 C ATOM 0 H ILE A 78 1.328 4.809 -1.434 1.00 11.78 H new ATOM 0 HA ILE A 78 3.468 6.533 -1.531 1.00 11.62 H new ATOM 0 HB ILE A 78 2.265 4.817 0.641 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.584 7.788 0.858 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.604 7.253 -0.494 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.700 5.920 2.328 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.662 4.916 1.217 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.641 6.685 1.027 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.200 7.588 1.528 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.204 5.874 1.050 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.199 6.417 2.422 1.00 13.67 H new ATOM 1220 N ASP A 79 4.550 3.477 -1.011 1.00 10.05 N ATOM 1221 CA ASP A 79 5.795 2.660 -1.046 1.00 14.79 C ATOM 1222 C ASP A 79 6.835 3.298 -0.124 1.00 15.20 C ATOM 1223 O ASP A 79 7.941 3.597 -0.526 1.00 18.10 O ATOM 1224 CB ASP A 79 6.333 2.625 -2.471 1.00 12.21 C ATOM 1225 CG ASP A 79 6.871 1.228 -2.784 1.00 17.52 C ATOM 1226 OD1 ASP A 79 6.076 0.377 -3.148 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.068 1.032 -2.654 1.00 21.87 O ATOM 0 H ASP A 79 3.688 2.951 -0.865 1.00 10.05 H new ATOM 0 HA ASP A 79 5.582 1.644 -0.713 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.543 2.887 -3.175 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.124 3.365 -2.590 1.00 12.21 H new ATOM 1232 N ARG A 80 6.470 3.515 1.108 1.00 17.08 N ATOM 1233 CA ARG A 80 7.408 4.145 2.087 1.00 17.14 C ATOM 1234 C ARG A 80 7.379 5.659 1.900 1.00 14.98 C ATOM 1235 O ARG A 80 8.233 6.235 1.259 1.00 16.47 O ATOM 1236 CB ARG A 80 8.831 3.621 1.867 1.00 17.78 C ATOM 1237 CG ARG A 80 9.681 3.896 3.110 1.00 22.76 C ATOM 1238 CD ARG A 80 10.472 2.638 3.476 1.00 28.43 C ATOM 1239 NE ARG A 80 11.901 2.822 3.091 1.00 33.10 N ATOM 1240 CZ ARG A 80 12.812 1.999 3.537 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.474 0.998 4.305 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.064 2.173 3.210 1.00 35.04 N ATOM 0 H ARG A 80 5.552 3.281 1.486 1.00 17.08 H new ATOM 0 HA ARG A 80 7.097 3.893 3.101 1.00 17.14 H new ATOM 0 HB2 ARG A 80 8.807 2.551 1.661 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.276 4.103 0.997 1.00 17.78 H new ATOM 0 HG2 ARG A 80 10.363 4.725 2.921 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.042 4.192 3.942 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.394 2.445 4.546 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.055 1.771 2.964 1.00 28.43 H new ATOM 0 HE ARG A 80 12.168 3.592 2.478 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.496 0.857 4.558 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.188 0.357 4.651 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.330 2.951 2.607 1.00 35.04 H new ATOM 0 HH22 ARG A 80 14.776 1.531 3.558 1.00 35.04 H new ATOM 1256 N LEU A 81 6.387 6.300 2.452 1.00 11.03 N ATOM 1257 CA LEU A 81 6.257 7.771 2.313 1.00 11.27 C ATOM 1258 C LEU A 81 7.495 8.480 2.871 1.00 15.61 C ATOM 1259 O LEU A 81 8.168 7.982 3.752 1.00 18.56 O ATOM 1260 CB LEU A 81 5.013 8.233 3.071 1.00 13.62 C ATOM 1261 CG LEU A 81 5.324 8.347 4.562 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.058 8.768 5.311 1.00 11.44 C ATOM 1263 CD2 LEU A 81 5.799 6.987 5.083 1.00 18.72 C ATOM 0 H LEU A 81 5.651 5.857 3.002 1.00 11.03 H new ATOM 0 HA LEU A 81 6.166 8.022 1.256 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.679 9.196 2.686 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.198 7.527 2.914 1.00 13.62 H new ATOM 0 HG LEU A 81 6.105 9.091 4.721 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.276 8.851 6.376 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.716 9.732 4.935 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.279 8.022 5.157 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.022 7.063 6.147 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.016 6.245 4.929 1.00 18.72 H new ATOM 0 HD23 LEU A 81 6.697 6.685 4.544 1.00 18.72 H new ATOM 1275 N ARG A 82 7.776 9.655 2.383 1.00 13.37 N ATOM 1276 CA ARG A 82 8.942 10.423 2.901 1.00 12.72 C ATOM 1277 C ARG A 82 8.403 11.540 3.793 1.00 13.33 C ATOM 1278 O ARG A 82 7.831 12.499 3.323 1.00 13.27 O ATOM 1279 CB ARG A 82 9.735 11.022 1.736 1.00 13.85 C ATOM 1280 CG ARG A 82 11.168 10.485 1.768 1.00 16.22 C ATOM 1281 CD ARG A 82 11.577 10.028 0.366 1.00 16.62 C ATOM 1282 NE ARG A 82 12.257 8.704 0.455 1.00 15.85 N ATOM 1283 CZ ARG A 82 12.441 7.987 -0.621 1.00 17.96 C ATOM 1284 NH1 ARG A 82 12.041 8.431 -1.782 1.00 20.55 N ATOM 1285 NH2 ARG A 82 13.029 6.825 -0.537 1.00 16.89 N ATOM 0 H ARG A 82 7.246 10.119 1.645 1.00 13.37 H new ATOM 0 HA ARG A 82 9.607 9.770 3.466 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.260 10.766 0.789 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.741 12.110 1.807 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.849 11.259 2.122 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.239 9.653 2.468 1.00 16.22 H new ATOM 0 HD2 ARG A 82 10.699 9.956 -0.275 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.243 10.762 -0.088 1.00 16.62 H new ATOM 0 HE ARG A 82 12.579 8.357 1.359 1.00 15.85 H new ATOM 0 HH11 ARG A 82 11.583 9.340 -1.850 1.00 20.55 H new ATOM 0 HH12 ARG A 82 12.186 7.869 -2.621 1.00 20.55 H new ATOM 0 HH21 ARG A 82 13.344 6.477 0.369 1.00 16.89 H new ATOM 0 HH22 ARG A 82 13.173 6.264 -1.377 1.00 16.89 H new ATOM 1299 N LEU A 83 8.543 11.406 5.078 1.00 13.53 N ATOM 1300 CA LEU A 83 7.994 12.448 5.992 1.00 13.86 C ATOM 1301 C LEU A 83 8.938 13.643 6.109 1.00 13.02 C ATOM 1302 O LEU A 83 10.146 13.512 6.109 1.00 14.40 O ATOM 1303 CB LEU A 83 7.779 11.852 7.379 1.00 9.93 C ATOM 1304 CG LEU A 83 6.369 12.163 7.875 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.299 11.887 9.379 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.049 13.635 7.611 1.00 10.58 C ATOM 0 H LEU A 83 9.011 10.625 5.537 1.00 13.53 H new ATOM 0 HA LEU A 83 7.048 12.792 5.574 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.931 10.773 7.347 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.514 12.257 8.074 1.00 9.93 H new ATOM 0 HG LEU A 83 5.646 11.538 7.351 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.295 12.106 9.743 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.533 10.839 9.568 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.019 12.519 9.899 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.042 13.858 7.965 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.766 14.264 8.139 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.110 13.834 6.541 1.00 10.58 H new ATOM 1318 N VAL A 84 8.371 14.812 6.224 1.00 11.81 N ATOM 1319 CA VAL A 84 9.169 16.049 6.360 1.00 12.86 C ATOM 1320 C VAL A 84 8.412 16.988 7.308 1.00 14.98 C ATOM 1321 O VAL A 84 7.223 16.828 7.498 1.00 13.59 O ATOM 1322 CB VAL A 84 9.298 16.689 4.979 1.00 14.61 C ATOM 1323 CG1 VAL A 84 10.045 15.738 4.042 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.902 16.969 4.416 1.00 17.34 C ATOM 0 H VAL A 84 7.362 14.958 6.229 1.00 11.81 H new ATOM 0 HA VAL A 84 10.164 15.845 6.756 1.00 12.86 H new ATOM 0 HB VAL A 84 9.852 17.624 5.062 1.00 14.61 H new ATOM 0 HG11 VAL A 84 10.137 16.195 3.057 1.00 17.65 H new ATOM 0 HG12 VAL A 84 11.039 15.538 4.443 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.493 14.802 3.958 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.992 17.426 3.430 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.349 16.034 4.333 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.370 17.647 5.083 1.00 17.34 H new ATOM 1334 N PRO A 85 9.103 17.946 7.865 1.00 18.65 N ATOM 1335 CA PRO A 85 8.489 18.924 8.781 1.00 22.41 C ATOM 1336 C PRO A 85 7.409 19.742 8.056 1.00 25.70 C ATOM 1337 O PRO A 85 7.497 19.988 6.870 1.00 22.08 O ATOM 1338 CB PRO A 85 9.668 19.775 9.255 1.00 21.19 C ATOM 1339 CG PRO A 85 10.779 19.564 8.215 1.00 18.95 C ATOM 1340 CD PRO A 85 10.537 18.163 7.628 1.00 20.63 C ATOM 0 HA PRO A 85 7.968 18.467 9.623 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.390 20.827 9.322 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.998 19.468 10.248 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.738 20.327 7.438 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.765 19.631 8.676 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.781 18.123 6.566 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.146 17.407 8.124 1.00 20.63 H new ATOM 1348 N ALA A 86 6.381 20.145 8.760 1.00 31.74 N ATOM 1349 CA ALA A 86 5.280 20.924 8.115 1.00 39.94 C ATOM 1350 C ALA A 86 5.724 22.376 7.924 1.00 46.96 C ATOM 1351 O ALA A 86 6.106 23.047 8.862 1.00 49.29 O ATOM 1352 CB ALA A 86 4.040 20.884 9.013 1.00 39.70 C ATOM 0 H ALA A 86 6.257 19.967 9.757 1.00 31.74 H new ATOM 0 HA ALA A 86 5.044 20.487 7.144 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.234 21.451 8.546 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.724 19.850 9.151 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.278 21.322 9.982 1.00 39.70 H new ATOM 1358 N LYS A 87 5.675 22.868 6.717 1.00 51.78 N ATOM 1359 CA LYS A 87 6.093 24.277 6.469 1.00 55.12 C ATOM 1360 C LYS A 87 4.912 25.068 5.902 1.00 55.82 C ATOM 1361 O LYS A 87 4.710 26.188 6.339 1.00 58.05 O ATOM 1362 CB LYS A 87 7.249 24.301 5.467 1.00 52.96 C ATOM 1363 CG LYS A 87 8.433 23.516 6.034 1.00 55.49 C ATOM 1364 CD LYS A 87 9.113 24.337 7.132 1.00 56.64 C ATOM 1365 CE LYS A 87 10.387 24.978 6.578 1.00 58.91 C ATOM 1366 NZ LYS A 87 11.459 24.925 7.612 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.230 24.538 5.039 1.00 57.66 O ATOM 0 H LYS A 87 5.364 22.356 5.892 1.00 51.78 H new ATOM 0 HA LYS A 87 6.417 24.728 7.407 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.932 23.866 4.519 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.546 25.330 5.263 1.00 52.96 H new ATOM 0 HG2 LYS A 87 8.091 22.563 6.437 1.00 55.49 H new ATOM 0 HG3 LYS A 87 9.146 23.289 5.241 1.00 55.49 H new ATOM 0 HD2 LYS A 87 8.435 25.108 7.497 1.00 56.64 H new ATOM 0 HD3 LYS A 87 9.355 23.698 7.981 1.00 56.64 H new ATOM 0 HE2 LYS A 87 10.709 24.454 5.678 1.00 58.91 H new ATOM 0 HE3 LYS A 87 10.193 26.012 6.293 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 12.325 25.361 7.236 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 11.150 25.443 8.459 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 11.650 23.934 7.863 1.00 58.16 H new ATOM 1382 N MET B 1 2.089 17.056 -2.664 1.00 42.32 N ATOM 1383 CA MET B 1 0.749 17.344 -3.249 1.00 40.89 C ATOM 1384 C MET B 1 0.357 16.212 -4.202 1.00 34.75 C ATOM 1385 O MET B 1 -0.808 15.982 -4.458 1.00 33.97 O ATOM 1386 CB MET B 1 0.804 18.675 -4.019 1.00 48.45 C ATOM 1387 CG MET B 1 -0.317 18.736 -5.069 1.00 56.13 C ATOM 1388 SD MET B 1 -1.033 20.398 -5.088 1.00 64.91 S ATOM 1389 CE MET B 1 -2.254 20.134 -3.779 1.00 63.43 C ATOM 0 H1 MET B 1 2.269 17.706 -1.873 1.00 42.32 H new ATOM 0 H2 MET B 1 2.113 16.075 -2.318 1.00 42.32 H new ATOM 0 H3 MET B 1 2.821 17.185 -3.392 1.00 42.32 H new ATOM 0 HA MET B 1 0.009 17.418 -2.452 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.705 19.509 -3.324 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.773 18.780 -4.507 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.078 18.487 -6.054 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.087 17.999 -4.839 1.00 56.13 H new ATOM 0 HE1 MET B 1 -3.258 20.233 -4.192 1.00 63.43 H new ATOM 0 HE2 MET B 1 -2.130 19.134 -3.362 1.00 63.43 H new ATOM 0 HE3 MET B 1 -2.111 20.875 -2.993 1.00 63.43 H new ATOM 1401 N ILE B 2 1.315 15.517 -4.747 1.00 28.59 N ATOM 1402 CA ILE B 2 0.974 14.427 -5.698 1.00 24.58 C ATOM 1403 C ILE B 2 0.163 15.039 -6.836 1.00 19.29 C ATOM 1404 O ILE B 2 -1.048 14.944 -6.875 1.00 19.53 O ATOM 1405 CB ILE B 2 0.140 13.359 -4.995 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.697 13.095 -3.597 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.190 12.065 -5.802 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.453 13.085 -2.599 1.00 33.80 C ATOM 0 H ILE B 2 2.311 15.656 -4.576 1.00 28.59 H new ATOM 0 HA ILE B 2 1.883 13.961 -6.078 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.889 13.709 -4.914 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.223 12.140 -3.575 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.421 13.864 -3.329 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.405 11.301 -5.302 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.212 12.243 -6.799 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.223 11.726 -5.882 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.064 12.897 -1.598 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -0.959 14.051 -2.617 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.160 12.300 -2.867 1.00 33.80 H new ATOM 1420 N LYS B 3 0.822 15.696 -7.746 1.00 18.14 N ATOM 1421 CA LYS B 3 0.096 16.352 -8.869 1.00 16.66 C ATOM 1422 C LYS B 3 -0.412 15.313 -9.864 1.00 14.94 C ATOM 1423 O LYS B 3 0.095 14.212 -9.954 1.00 13.94 O ATOM 1424 CB LYS B 3 1.035 17.326 -9.584 1.00 16.94 C ATOM 1425 CG LYS B 3 0.952 18.701 -8.917 1.00 17.85 C ATOM 1426 CD LYS B 3 2.134 19.562 -9.369 1.00 19.63 C ATOM 1427 CE LYS B 3 1.641 20.970 -9.710 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.441 21.973 -8.952 1.00 32.72 N ATOM 0 H LYS B 3 1.836 15.808 -7.762 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.759 16.892 -8.462 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.059 16.954 -9.547 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.762 17.404 -10.636 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.013 19.188 -9.180 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.962 18.592 -7.833 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.885 19.610 -8.581 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.613 19.113 -10.239 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.733 21.150 -10.781 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.585 21.068 -9.460 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.107 22.930 -9.183 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 2.331 21.805 -7.932 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 3.444 21.885 -9.212 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.416 15.669 -10.616 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.979 14.727 -11.619 1.00 12.99 C ATOM 1444 C VAL B 4 -2.866 15.506 -12.595 1.00 14.26 C ATOM 1445 O VAL B 4 -3.327 16.591 -12.307 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.787 13.619 -10.900 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.269 14.121 -9.540 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.999 13.183 -11.741 1.00 10.41 C ATOM 0 H VAL B 4 -1.873 16.580 -10.577 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.174 14.251 -12.179 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.130 12.760 -10.764 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.836 13.335 -9.042 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.410 14.392 -8.927 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.906 14.995 -9.679 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.548 12.404 -11.212 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.653 14.039 -11.907 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.656 12.797 -12.701 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.097 14.953 -13.751 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.946 15.640 -14.763 1.00 10.51 C ATOM 1460 C GLU B 5 -4.903 14.635 -15.385 1.00 10.00 C ATOM 1461 O GLU B 5 -4.502 13.725 -16.084 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.058 16.235 -15.853 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.728 17.682 -15.496 1.00 18.68 C ATOM 1464 CD GLU B 5 -2.441 18.473 -16.774 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -3.002 18.127 -17.800 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -1.665 19.412 -16.704 1.00 22.12 O ATOM 0 H GLU B 5 -2.731 14.046 -14.041 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.514 16.436 -14.281 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.141 15.653 -15.950 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.566 16.192 -16.816 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.561 18.133 -14.956 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.863 17.716 -14.833 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.168 14.797 -15.143 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.151 13.851 -15.739 1.00 10.60 C ATOM 1475 C ILE B 6 -7.240 14.148 -17.246 1.00 10.16 C ATOM 1476 O ILE B 6 -7.774 15.159 -17.658 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.520 14.012 -15.036 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.641 12.950 -13.938 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.666 13.828 -16.026 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.300 13.569 -12.581 1.00 13.81 C ATOM 0 H ILE B 6 -6.565 15.536 -14.563 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.838 12.816 -15.600 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.580 15.015 -14.613 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.653 12.546 -13.920 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.969 12.118 -14.148 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.617 13.946 -15.507 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.588 14.575 -16.816 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.612 12.831 -16.463 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.387 12.811 -11.803 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.280 13.952 -12.602 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.990 14.386 -12.370 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.695 13.284 -18.070 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.721 13.524 -19.539 1.00 11.59 C ATOM 1494 C LYS B 7 -8.146 13.857 -19.989 1.00 12.98 C ATOM 1495 O LYS B 7 -9.077 13.766 -19.214 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.228 12.263 -20.258 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.824 12.498 -20.837 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.973 13.308 -19.857 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.492 13.028 -20.112 1.00 19.19 C ATOM 1500 NZ LYS B 7 -1.666 13.827 -19.164 1.00 25.43 N ATOM 0 H LYS B 7 -6.233 12.421 -17.782 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.072 14.365 -19.785 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.207 11.424 -19.563 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.920 11.997 -21.058 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.343 11.541 -21.042 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.899 13.027 -21.787 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.178 14.372 -19.975 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -4.232 13.045 -18.831 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.285 11.965 -19.986 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.234 13.283 -21.140 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -0.789 14.128 -19.636 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.201 14.665 -18.859 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -1.430 13.246 -18.334 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.270 14.235 -21.237 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.568 14.591 -21.833 1.00 11.93 C ATOM 1516 C PRO B 8 -10.371 13.327 -22.123 1.00 10.20 C ATOM 1517 O PRO B 8 -11.585 13.323 -22.090 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.186 15.321 -23.124 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.752 14.859 -23.477 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.128 14.334 -22.171 1.00 13.61 C ATOM 0 HA PRO B 8 -10.193 15.205 -21.184 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.881 15.079 -23.928 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.223 16.401 -22.985 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.772 14.079 -24.238 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.167 15.685 -23.882 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.650 13.366 -22.319 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.363 15.013 -21.794 1.00 13.61 H new ATOM 1528 N SER B 9 -9.694 12.251 -22.391 1.00 10.65 N ATOM 1529 CA SER B 9 -10.402 10.972 -22.668 1.00 10.83 C ATOM 1530 C SER B 9 -10.542 10.186 -21.362 1.00 10.94 C ATOM 1531 O SER B 9 -10.972 9.049 -21.354 1.00 13.16 O ATOM 1532 CB SER B 9 -9.601 10.151 -23.679 1.00 13.01 C ATOM 1533 OG SER B 9 -9.267 10.971 -24.792 1.00 15.52 O ATOM 0 H SER B 9 -8.676 12.200 -22.431 1.00 10.65 H new ATOM 0 HA SER B 9 -11.390 11.180 -23.079 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.695 9.763 -23.213 1.00 13.01 H new ATOM 0 HB3 SER B 9 -10.183 9.290 -24.009 1.00 13.01 H new ATOM 0 HG SER B 9 -8.752 10.448 -25.441 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.180 10.783 -20.257 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.290 10.072 -18.952 1.00 11.55 C ATOM 1541 C GLN B 10 -11.153 10.891 -17.990 1.00 13.72 C ATOM 1542 O GLN B 10 -10.971 10.843 -16.790 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.899 9.897 -18.347 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.908 9.557 -19.453 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.125 8.113 -19.910 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -9.241 7.634 -19.939 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.098 7.394 -20.271 1.00 4.80 N ATOM 0 H GLN B 10 -9.813 11.733 -20.203 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.747 9.096 -19.114 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.594 10.811 -17.838 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.912 9.105 -17.599 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -8.038 10.239 -20.294 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.887 9.686 -19.093 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.161 7.795 -20.247 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.232 6.430 -20.577 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.081 11.652 -18.501 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.939 12.480 -17.605 1.00 18.95 C ATOM 1558 C ALA B 11 -14.242 11.739 -17.294 1.00 20.75 C ATOM 1559 O ALA B 11 -15.203 12.323 -16.833 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.261 13.808 -18.293 1.00 17.72 C ATOM 0 H ALA B 11 -12.283 11.737 -19.497 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.405 12.668 -16.674 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.888 14.414 -17.639 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.335 14.342 -18.505 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.790 13.615 -19.226 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.286 10.459 -17.541 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.530 9.692 -17.256 1.00 25.43 C ATOM 1568 C GLN B 12 -15.177 8.313 -16.705 1.00 22.80 C ATOM 1569 O GLN B 12 -14.194 7.712 -17.090 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.332 9.534 -18.545 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.144 10.803 -18.778 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.724 10.794 -20.194 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.064 11.829 -20.730 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.852 9.660 -20.827 1.00 47.90 N ATOM 0 H GLN B 12 -13.516 9.912 -17.927 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.123 10.231 -16.517 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.663 9.355 -19.386 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.993 8.671 -18.474 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.949 10.870 -18.046 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.512 11.681 -18.639 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -17.567 8.790 -20.378 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -18.237 9.644 -21.771 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.974 7.806 -15.805 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.686 6.466 -15.231 1.00 20.51 C ATOM 1585 C PHE B 13 -16.489 5.410 -15.980 1.00 18.83 C ATOM 1586 O PHE B 13 -17.541 5.680 -16.524 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.108 6.446 -13.769 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.587 6.744 -13.700 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.521 5.721 -13.895 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.024 8.053 -13.459 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.891 6.009 -13.845 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.389 8.340 -13.411 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.321 7.321 -13.604 1.00 18.48 C ATOM 0 H PHE B 13 -16.811 8.263 -15.444 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.620 6.257 -15.319 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.895 5.473 -13.325 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.544 7.186 -13.201 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.187 4.712 -14.084 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.302 8.843 -13.310 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.615 5.221 -13.992 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.723 9.350 -13.225 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.377 7.543 -13.568 1.00 18.48 H new ATOM 1603 N THR B 14 -16.007 4.204 -15.998 1.00 14.89 N ATOM 1604 CA THR B 14 -16.746 3.124 -16.695 1.00 13.37 C ATOM 1605 C THR B 14 -17.062 2.010 -15.704 1.00 11.97 C ATOM 1606 O THR B 14 -16.551 1.979 -14.601 1.00 10.76 O ATOM 1607 CB THR B 14 -15.888 2.565 -17.824 1.00 13.68 C ATOM 1608 OG1 THR B 14 -14.618 2.186 -17.311 1.00 13.48 O ATOM 1609 CG2 THR B 14 -15.711 3.634 -18.894 1.00 9.24 C ATOM 0 H THR B 14 -15.131 3.919 -15.559 1.00 14.89 H new ATOM 0 HA THR B 14 -17.672 3.525 -17.107 1.00 13.37 H new ATOM 0 HB THR B 14 -16.375 1.692 -18.258 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.067 1.825 -18.036 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.098 3.240 -19.704 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.687 3.923 -19.285 1.00 9.24 H new ATOM 0 HG23 THR B 14 -15.221 4.506 -18.460 1.00 9.24 H new ATOM 1617 N THR B 15 -17.897 1.093 -16.090 1.00 13.20 N ATOM 1618 CA THR B 15 -18.244 -0.025 -15.174 1.00 12.54 C ATOM 1619 C THR B 15 -17.481 -1.277 -15.602 1.00 14.34 C ATOM 1620 O THR B 15 -17.710 -1.824 -16.663 1.00 17.35 O ATOM 1621 CB THR B 15 -19.747 -0.293 -15.239 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.397 0.812 -15.852 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.288 -0.486 -13.824 1.00 8.30 C ATOM 0 H THR B 15 -18.356 1.068 -17.001 1.00 13.20 H new ATOM 0 HA THR B 15 -17.971 0.239 -14.152 1.00 12.54 H new ATOM 0 HB THR B 15 -19.934 -1.193 -15.825 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.361 0.641 -15.896 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.360 -0.677 -13.867 1.00 8.30 H new ATOM 0 HG22 THR B 15 -19.787 -1.333 -13.355 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.104 0.414 -13.238 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.669 -1.844 -9.679 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.926 -0.402 -9.412 1.00 16.31 C ATOM 1818 C LEU B 28 -17.316 0.457 -10.522 1.00 14.21 C ATOM 1819 O LEU B 28 -16.489 0.007 -11.290 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.302 -0.019 -8.072 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.389 0.497 -7.129 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.092 0.029 -5.703 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -18.415 2.028 -7.170 1.00 22.01 C ATOM 0 HA LEU B 28 -19.002 -0.230 -9.382 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.804 -0.883 -7.631 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.541 0.747 -8.220 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.358 0.109 -7.444 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.867 0.397 -5.031 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.074 -1.060 -5.674 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.124 0.417 -5.387 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -19.190 2.397 -6.498 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -17.447 2.417 -6.855 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -18.627 2.361 -8.186 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.721 1.694 -10.606 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.173 2.597 -11.658 1.00 9.77 C ATOM 1837 C ASN B 29 -15.645 2.603 -11.591 1.00 7.94 C ATOM 1838 O ASN B 29 -15.052 2.254 -10.589 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.675 4.021 -11.418 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.194 4.080 -11.574 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.820 3.105 -11.940 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.819 5.196 -11.307 1.00 12.89 N ATOM 0 H ASN B 29 -18.411 2.121 -9.988 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.500 2.242 -12.635 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.392 4.350 -10.418 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.203 4.704 -12.124 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.833 5.249 -11.406 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.293 6.014 -11.000 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.008 3.017 -12.649 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.519 3.075 -12.662 1.00 13.16 C ATOM 1851 C GLU B 30 -13.087 4.207 -13.597 1.00 12.26 C ATOM 1852 O GLU B 30 -13.485 4.258 -14.744 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.956 1.744 -13.165 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.733 0.802 -11.980 1.00 27.13 C ATOM 1855 CD GLU B 30 -12.795 -0.649 -12.460 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -13.620 -0.936 -13.311 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -12.015 -1.448 -11.969 1.00 40.03 O ATOM 0 H GLU B 30 -15.458 3.320 -13.513 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.142 3.258 -11.656 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.646 1.292 -13.878 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.017 1.911 -13.692 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -11.765 1.003 -11.520 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.491 0.976 -11.216 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.295 5.125 -13.116 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.867 6.259 -13.984 1.00 9.46 C ATOM 1866 C GLN B 31 -10.365 6.183 -14.257 1.00 10.09 C ATOM 1867 O GLN B 31 -9.679 5.288 -13.806 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.181 7.582 -13.278 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.635 8.624 -14.304 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.643 9.789 -14.318 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.475 9.610 -14.038 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.064 10.983 -14.632 1.00 12.39 N ATOM 0 H GLN B 31 -11.927 5.140 -12.165 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.404 6.201 -14.931 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.961 7.430 -12.531 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.298 7.940 -12.749 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.697 8.173 -15.294 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.633 8.985 -14.055 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.045 11.132 -14.867 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.412 11.767 -14.643 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.855 7.131 -14.994 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.401 7.146 -15.307 1.00 10.34 C ATOM 1883 C LEU B 32 -7.882 8.579 -15.175 1.00 9.02 C ATOM 1884 O LEU B 32 -8.591 9.531 -15.435 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.183 6.651 -16.738 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.475 5.152 -16.807 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.526 4.708 -18.271 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.369 4.385 -16.078 1.00 15.89 C ATOM 0 H LEU B 32 -10.389 7.902 -15.395 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.865 6.494 -14.617 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.834 7.192 -17.425 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.157 6.848 -17.050 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.434 4.946 -16.333 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.734 3.639 -18.320 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.313 5.255 -18.790 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.567 4.913 -18.747 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.575 3.316 -16.126 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.410 4.591 -16.553 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -7.333 4.701 -15.035 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.651 8.742 -14.777 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.084 10.108 -14.632 1.00 8.10 C ATOM 1902 C CYS B 33 -4.585 10.013 -14.851 1.00 6.34 C ATOM 1903 O CYS B 33 -4.066 8.958 -15.137 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.362 10.661 -13.228 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.985 10.103 -12.655 1.00 13.84 S ATOM 0 H CYS B 33 -6.011 7.982 -14.545 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.543 10.779 -15.359 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.588 10.327 -12.537 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.327 11.750 -13.243 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.823 10.112 -13.649 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.879 11.093 -14.723 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.413 11.030 -14.938 1.00 7.08 C ATOM 1913 C TYR B 34 -1.694 11.639 -13.745 1.00 7.71 C ATOM 1914 O TYR B 34 -1.765 12.828 -13.512 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.054 11.826 -16.180 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.265 10.985 -17.414 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -3.502 11.006 -18.060 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -1.216 10.210 -17.927 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -3.692 10.260 -19.222 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -1.408 9.461 -19.087 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.644 9.490 -19.736 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.834 8.752 -20.886 1.00 21.14 O ATOM 0 H TYR B 34 -4.249 12.012 -14.480 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.113 9.989 -15.058 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.667 12.726 -16.235 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.015 12.151 -16.125 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -4.311 11.599 -17.660 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -0.260 10.193 -17.424 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -4.648 10.277 -19.725 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -0.603 8.860 -19.483 1.00 17.22 H new ATOM 0 HH TYR B 34 -2.007 8.275 -21.109 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.995 10.846 -12.992 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.270 11.404 -11.824 1.00 10.66 C ATOM 1934 C VAL B 35 1.224 11.438 -12.116 1.00 10.57 C ATOM 1935 O VAL B 35 1.875 10.414 -12.176 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.525 10.537 -10.591 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.203 11.145 -9.390 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -2.028 10.486 -10.306 1.00 9.86 C ATOM 0 H VAL B 35 -0.894 9.841 -13.133 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.628 12.416 -11.634 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.157 9.527 -10.769 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.025 10.531 -8.507 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.273 11.184 -9.595 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.169 12.154 -9.211 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.211 9.868 -9.427 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.398 11.495 -10.124 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.547 10.059 -11.164 1.00 9.86 H new ATOM 1948 N ASP B 36 1.786 12.604 -12.285 1.00 8.58 N ATOM 1949 CA ASP B 36 3.235 12.672 -12.540 1.00 11.48 C ATOM 1950 C ASP B 36 3.926 11.996 -11.364 1.00 12.38 C ATOM 1951 O ASP B 36 4.885 11.269 -11.523 1.00 11.89 O ATOM 1952 CB ASP B 36 3.681 14.132 -12.641 1.00 16.17 C ATOM 1953 CG ASP B 36 3.160 14.910 -11.431 1.00 17.97 C ATOM 1954 OD1 ASP B 36 3.840 14.917 -10.418 1.00 15.67 O ATOM 1955 OD2 ASP B 36 2.089 15.485 -11.537 1.00 25.89 O ATOM 0 H ASP B 36 1.301 13.501 -12.256 1.00 8.58 H new ATOM 0 HA ASP B 36 3.489 12.177 -13.478 1.00 11.48 H new ATOM 0 HB2 ASP B 36 4.769 14.189 -12.682 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.303 14.576 -13.562 1.00 16.17 H new ATOM 1960 N LEU B 37 3.414 12.223 -10.180 1.00 13.17 N ATOM 1961 CA LEU B 37 3.998 11.596 -8.967 1.00 18.47 C ATOM 1962 C LEU B 37 5.426 12.095 -8.788 1.00 21.14 C ATOM 1963 O LEU B 37 5.730 12.862 -7.896 1.00 24.24 O ATOM 1964 CB LEU B 37 4.000 10.078 -9.148 1.00 15.81 C ATOM 1965 CG LEU B 37 4.662 9.416 -7.944 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.945 8.101 -7.638 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.133 9.137 -8.265 1.00 20.01 C ATOM 0 H LEU B 37 2.608 12.823 -10.006 1.00 13.17 H new ATOM 0 HA LEU B 37 3.411 11.858 -8.087 1.00 18.47 H new ATOM 0 HB2 LEU B 37 2.978 9.714 -9.259 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.534 9.812 -10.060 1.00 15.81 H new ATOM 0 HG LEU B 37 4.600 10.075 -7.078 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.414 7.623 -6.778 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.897 8.301 -7.415 1.00 14.72 H new ATOM 0 HD13 LEU B 37 4.012 7.440 -8.502 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.609 8.664 -7.406 1.00 20.01 H new ATOM 0 HD22 LEU B 37 6.198 8.473 -9.127 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.641 10.075 -8.490 1.00 20.01 H new ATOM 1979 N GLY B 38 6.295 11.665 -9.644 1.00 20.70 N ATOM 1980 CA GLY B 38 7.707 12.094 -9.570 1.00 23.91 C ATOM 1981 C GLY B 38 8.473 11.452 -10.731 1.00 26.50 C ATOM 1982 O GLY B 38 9.581 10.978 -10.571 1.00 31.02 O ATOM 0 H GLY B 38 6.083 11.022 -10.407 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.776 13.180 -9.626 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.144 11.795 -8.617 1.00 23.91 H new ATOM 1986 N ASN B 39 7.879 11.415 -11.899 1.00 27.64 N ATOM 1987 CA ASN B 39 8.559 10.787 -13.063 1.00 30.27 C ATOM 1988 C ASN B 39 8.654 11.780 -14.229 1.00 26.79 C ATOM 1989 O ASN B 39 8.779 11.395 -15.375 1.00 26.87 O ATOM 1990 CB ASN B 39 7.768 9.551 -13.502 1.00 35.62 C ATOM 1991 CG ASN B 39 7.210 8.832 -12.269 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.878 8.729 -11.259 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.005 8.327 -12.308 1.00 39.63 N ATOM 0 H ASN B 39 6.952 11.794 -12.092 1.00 27.64 H new ATOM 0 HA ASN B 39 9.568 10.496 -12.771 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.953 9.845 -14.164 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.411 8.877 -14.068 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.626 7.847 -11.491 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.443 8.413 -13.155 1.00 39.63 H new ATOM 2000 N GLU B 40 8.610 13.050 -13.944 1.00 25.15 N ATOM 2001 CA GLU B 40 8.715 14.074 -15.030 1.00 23.81 C ATOM 2002 C GLU B 40 7.719 13.772 -16.159 1.00 21.12 C ATOM 2003 O GLU B 40 7.860 14.258 -17.264 1.00 19.86 O ATOM 2004 CB GLU B 40 10.136 14.067 -15.595 1.00 27.22 C ATOM 2005 CG GLU B 40 11.108 14.611 -14.546 1.00 34.87 C ATOM 2006 CD GLU B 40 12.292 15.282 -15.244 1.00 38.97 C ATOM 2007 OE1 GLU B 40 13.250 14.587 -15.542 1.00 42.34 O ATOM 2008 OE2 GLU B 40 12.220 16.479 -15.470 1.00 39.54 O ATOM 0 H GLU B 40 8.505 13.429 -13.003 1.00 25.15 H new ATOM 0 HA GLU B 40 8.482 15.053 -14.611 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.421 13.054 -15.878 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.182 14.675 -16.498 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.599 15.327 -13.901 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.461 13.801 -13.907 1.00 34.87 H new ATOM 2015 N HIS B 41 6.714 12.986 -15.892 1.00 4.72 N ATOM 2016 CA HIS B 41 5.707 12.663 -16.948 1.00 4.35 C ATOM 2017 C HIS B 41 4.435 12.171 -16.262 1.00 3.46 C ATOM 2018 O HIS B 41 4.495 11.681 -15.154 1.00 2.59 O ATOM 2019 CB HIS B 41 6.255 11.568 -17.867 1.00 4.65 C ATOM 2020 CG HIS B 41 7.509 12.056 -18.537 1.00 4.48 C ATOM 2021 ND1 HIS B 41 7.494 13.061 -19.492 1.00 4.93 N ATOM 2022 CD2 HIS B 41 8.826 11.692 -18.397 1.00 5.38 C ATOM 2023 CE1 HIS B 41 8.765 13.265 -19.886 1.00 6.36 C ATOM 2024 NE2 HIS B 41 9.617 12.457 -19.250 1.00 6.99 N ATOM 0 H HIS B 41 6.544 12.551 -14.986 1.00 4.72 H new ATOM 0 HA HIS B 41 5.493 13.548 -17.547 1.00 4.35 H new ATOM 0 HB2 HIS B 41 6.465 10.667 -17.291 1.00 4.65 H new ATOM 0 HB3 HIS B 41 5.510 11.301 -18.616 1.00 4.65 H new ATOM 0 HD2 HIS B 41 9.192 10.928 -17.727 1.00 5.38 H new ATOM 0 HE1 HIS B 41 9.060 13.994 -20.627 1.00 6.36 H new ATOM 0 HE2 HIS B 41 10.629 12.410 -19.364 1.00 6.99 H new ATOM 2032 N PRO B 42 3.317 12.320 -16.925 1.00 15.11 N ATOM 2033 CA PRO B 42 2.022 11.904 -16.367 1.00 16.08 C ATOM 2034 C PRO B 42 1.868 10.392 -16.446 1.00 17.92 C ATOM 2035 O PRO B 42 2.135 9.781 -17.462 1.00 17.13 O ATOM 2036 CB PRO B 42 1.000 12.581 -17.273 1.00 16.41 C ATOM 2037 CG PRO B 42 1.718 12.853 -18.606 1.00 13.79 C ATOM 2038 CD PRO B 42 3.230 12.899 -18.283 1.00 16.28 C ATOM 0 HA PRO B 42 1.910 12.177 -15.318 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.130 11.942 -17.423 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.641 13.509 -16.828 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.499 12.070 -19.332 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.385 13.795 -19.042 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.811 12.322 -19.002 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.614 13.919 -18.309 1.00 16.28 H new ATOM 2046 N VAL B 43 1.423 9.785 -15.390 1.00 16.29 N ATOM 2047 CA VAL B 43 1.235 8.316 -15.420 1.00 14.28 C ATOM 2048 C VAL B 43 -0.257 8.012 -15.423 1.00 9.00 C ATOM 2049 O VAL B 43 -0.970 8.331 -14.493 1.00 7.99 O ATOM 2050 CB VAL B 43 1.899 7.680 -14.198 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.287 8.290 -13.993 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.042 7.931 -12.952 1.00 20.57 C ATOM 0 H VAL B 43 1.182 10.240 -14.510 1.00 16.29 H new ATOM 0 HA VAL B 43 1.695 7.903 -16.318 1.00 14.28 H new ATOM 0 HB VAL B 43 1.993 6.606 -14.360 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.759 7.836 -13.122 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.900 8.105 -14.875 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.193 9.364 -13.836 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.519 7.476 -12.084 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.942 9.004 -12.790 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.055 7.492 -13.095 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.739 7.408 -16.468 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.185 7.100 -16.528 1.00 11.55 C ATOM 2064 C LEU B 44 -2.522 6.047 -15.476 1.00 10.61 C ATOM 2065 O LEU B 44 -2.273 4.870 -15.650 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.547 6.587 -17.914 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.025 6.214 -17.935 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.866 7.456 -17.625 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.397 5.677 -19.319 1.00 20.21 C ATOM 0 H LEU B 44 -0.194 7.116 -17.280 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.758 8.005 -16.328 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.341 7.351 -18.664 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.936 5.720 -18.166 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.218 5.447 -17.186 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.924 7.192 -17.639 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.601 7.838 -16.639 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.673 8.223 -18.375 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.454 5.410 -19.334 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.206 6.443 -20.070 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.797 4.794 -19.540 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.086 6.470 -14.383 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.446 5.512 -13.302 1.00 9.29 C ATOM 2083 C VAL B 45 -4.950 5.267 -13.324 1.00 9.95 C ATOM 2084 O VAL B 45 -5.694 5.973 -13.975 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.040 6.095 -11.955 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.707 5.307 -10.822 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.519 6.010 -11.807 1.00 10.20 C ATOM 0 H VAL B 45 -3.315 7.445 -14.189 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.924 4.568 -13.459 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.359 7.136 -11.902 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.412 5.730 -9.862 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.790 5.366 -10.927 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.394 4.264 -10.871 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.223 6.426 -10.844 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.206 4.968 -11.863 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.043 6.576 -12.608 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.408 4.268 -12.625 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.865 3.987 -12.625 1.00 12.81 C ATOM 2099 C LYS B 46 -7.516 4.576 -11.371 1.00 13.35 C ATOM 2100 O LYS B 46 -6.912 4.651 -10.319 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.098 2.476 -12.664 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.564 2.193 -12.998 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.887 0.731 -12.685 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.514 -0.143 -13.884 1.00 34.48 C ATOM 2105 NZ LYS B 46 -8.475 -1.572 -13.464 1.00 36.74 N ATOM 0 H LYS B 46 -4.840 3.639 -12.058 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.314 4.446 -13.506 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.449 2.017 -13.410 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -6.841 2.033 -11.702 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -9.213 2.851 -12.420 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.755 2.401 -14.051 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.338 0.408 -11.801 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -9.948 0.622 -12.458 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -9.240 -0.008 -14.686 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -7.544 0.158 -14.279 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.221 -2.167 -14.279 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.766 -1.694 -12.713 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.410 -1.855 -13.107 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.750 4.991 -11.478 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.453 5.572 -10.304 1.00 16.93 C ATOM 2121 C ILE B 47 -10.789 4.841 -10.111 1.00 16.52 C ATOM 2122 O ILE B 47 -11.276 4.171 -11.000 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.670 7.086 -10.539 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.946 7.871 -9.448 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.160 7.458 -10.500 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.784 8.653 -10.063 1.00 18.26 C ATOM 0 H ILE B 47 -9.302 4.951 -12.335 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.857 5.449 -9.400 1.00 16.93 H new ATOM 0 HB ILE B 47 -9.277 7.332 -11.526 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.639 8.555 -8.958 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.574 7.190 -8.682 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.272 8.529 -10.669 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -11.692 6.910 -11.278 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.574 7.199 -9.526 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.269 9.213 -9.282 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.087 7.959 -10.533 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.168 9.345 -10.813 1.00 18.26 H new ATOM 2138 N THR B 48 -11.383 4.970 -8.958 1.00 16.86 N ATOM 2139 CA THR B 48 -12.683 4.291 -8.708 1.00 16.59 C ATOM 2140 C THR B 48 -13.785 5.347 -8.589 1.00 19.04 C ATOM 2141 O THR B 48 -13.619 6.360 -7.938 1.00 22.56 O ATOM 2142 CB THR B 48 -12.590 3.495 -7.407 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.398 2.722 -7.411 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.798 2.570 -7.283 1.00 16.02 C ATOM 0 H THR B 48 -11.023 5.518 -8.177 1.00 16.86 H new ATOM 0 HA THR B 48 -12.915 3.615 -9.531 1.00 16.59 H new ATOM 0 HB THR B 48 -12.576 4.183 -6.562 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.336 2.212 -6.576 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.729 2.004 -6.354 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.712 3.164 -7.279 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.817 1.881 -8.127 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.908 5.123 -9.215 1.00 18.35 N ATOM 2153 CA LEU B 49 -16.014 6.119 -9.141 1.00 18.82 C ATOM 2154 C LEU B 49 -17.181 5.524 -8.349 1.00 20.06 C ATOM 2155 O LEU B 49 -17.379 4.326 -8.319 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.478 6.467 -10.562 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.329 7.968 -10.827 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.489 8.720 -10.169 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -15.000 8.479 -10.259 1.00 14.50 C ATOM 0 H LEU B 49 -15.107 4.294 -9.774 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.663 7.023 -8.642 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.893 5.904 -11.289 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.519 6.171 -10.693 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.342 8.140 -11.903 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.383 9.788 -10.357 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.433 8.370 -10.586 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.478 8.538 -9.094 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.907 9.547 -10.455 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.972 8.303 -9.184 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.174 7.950 -10.734 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.952 6.354 -7.701 1.00 22.62 N ATOM 2172 CA ASP B 50 -19.101 5.841 -6.904 1.00 27.04 C ATOM 2173 C ASP B 50 -20.336 5.715 -7.799 1.00 27.73 C ATOM 2174 O ASP B 50 -20.273 5.921 -8.995 1.00 26.65 O ATOM 2175 CB ASP B 50 -19.399 6.811 -5.759 1.00 29.11 C ATOM 2176 CG ASP B 50 -19.603 6.025 -4.463 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.611 5.674 -3.844 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -20.746 5.789 -4.110 1.00 33.99 O ATOM 0 H ASP B 50 -17.835 7.367 -7.690 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.849 4.861 -6.498 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.576 7.517 -5.643 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -20.291 7.395 -5.986 1.00 29.11 H new ATOM 2183 N GLU B 51 -21.460 5.378 -7.227 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.701 5.237 -8.041 1.00 34.22 C ATOM 2185 C GLU B 51 -23.386 6.600 -8.170 1.00 34.98 C ATOM 2186 O GLU B 51 -24.009 7.082 -7.244 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.651 4.253 -7.352 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.999 3.115 -8.314 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.321 2.474 -7.889 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.880 2.917 -6.898 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.753 1.552 -8.561 1.00 53.83 O ATOM 0 H GLU B 51 -21.573 5.194 -6.230 1.00 31.16 H new ATOM 0 HA GLU B 51 -22.445 4.864 -9.033 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -23.185 3.852 -6.452 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -24.559 4.768 -7.038 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.078 3.497 -9.332 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.204 2.369 -8.314 1.00 46.84 H new ATOM 2198 N GLY B 52 -23.278 7.224 -9.311 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.925 8.554 -9.497 1.00 34.93 C ATOM 2200 C GLY B 52 -22.875 9.659 -9.364 1.00 36.10 C ATOM 2201 O GLY B 52 -23.143 10.816 -9.619 1.00 35.97 O ATOM 0 H GLY B 52 -22.770 6.871 -10.122 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.399 8.605 -10.477 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.711 8.694 -8.755 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.681 9.313 -8.964 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.618 10.345 -8.814 1.00 35.40 C ATOM 2207 C GLN B 53 -20.044 10.695 -10.192 1.00 31.02 C ATOM 2208 O GLN B 53 -19.915 9.836 -11.041 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.500 9.798 -7.924 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.644 10.366 -6.512 1.00 47.61 C ATOM 2211 CD GLN B 53 -18.256 10.623 -5.921 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -18.069 11.552 -5.161 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.269 9.832 -6.241 1.00 54.76 N ATOM 0 H GLN B 53 -21.397 8.360 -8.735 1.00 36.52 H new ATOM 0 HA GLN B 53 -21.044 11.240 -8.359 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.544 8.709 -7.895 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.528 10.067 -8.338 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -20.217 11.293 -6.538 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -20.195 9.668 -5.882 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -17.427 9.052 -6.879 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.340 9.993 -5.853 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.715 11.950 -10.371 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.148 12.449 -11.634 1.00 23.44 C ATOM 2224 C PRO B 54 -17.656 12.111 -11.721 1.00 20.14 C ATOM 2225 O PRO B 54 -16.846 12.647 -10.991 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.359 13.959 -11.552 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.504 14.296 -10.053 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.879 12.987 -9.335 1.00 28.37 C ATOM 0 HA PRO B 54 -19.612 12.007 -12.515 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.517 14.494 -11.991 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.249 14.258 -12.105 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.573 14.701 -9.656 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.272 15.054 -9.900 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.230 12.802 -8.479 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.902 13.017 -8.959 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.289 11.224 -12.606 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.854 10.849 -12.739 1.00 15.58 C ATOM 2238 C ALA B 55 -14.976 12.100 -12.662 1.00 16.41 C ATOM 2239 O ALA B 55 -15.434 13.206 -12.867 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.641 10.163 -14.087 1.00 13.98 C ATOM 0 H ALA B 55 -17.923 10.743 -13.243 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.581 10.173 -11.929 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.592 9.885 -14.192 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.261 9.268 -14.142 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.918 10.846 -14.890 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.714 11.930 -12.369 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.804 13.106 -12.282 1.00 14.61 C ATOM 2248 C TYR B 56 -12.877 13.899 -13.588 1.00 15.51 C ATOM 2249 O TYR B 56 -12.428 13.451 -14.623 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.367 12.626 -12.049 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.255 11.959 -10.688 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.373 11.887 -9.839 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.038 11.407 -10.282 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -12.266 11.263 -8.591 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -9.933 10.786 -9.035 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.045 10.712 -8.190 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.937 10.096 -6.960 1.00 12.03 O ATOM 0 H TYR B 56 -13.275 11.027 -12.186 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.108 13.744 -11.452 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.078 11.925 -12.832 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.679 13.470 -12.107 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -13.315 12.314 -10.150 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -9.178 11.460 -10.932 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -13.125 11.207 -7.939 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -8.990 10.362 -8.723 1.00 11.47 H new ATOM 0 HH TYR B 56 -10.114 9.565 -6.931 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.441 15.075 -13.546 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.542 15.899 -14.783 1.00 14.95 C ATOM 2269 C ALA B 57 -12.137 16.182 -15.325 1.00 15.46 C ATOM 2270 O ALA B 57 -11.153 15.810 -14.717 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.238 17.221 -14.457 1.00 14.98 C ATOM 0 H ALA B 57 -13.836 15.501 -12.708 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.119 15.359 -15.534 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.313 17.825 -15.361 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.237 17.020 -14.071 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.661 17.761 -13.706 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.090 16.836 -16.457 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.822 17.191 -17.120 1.00 16.55 C ATOM 2279 C PRO B 58 -10.192 18.416 -16.449 1.00 16.75 C ATOM 2280 O PRO B 58 -10.743 19.498 -16.472 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.249 17.516 -18.555 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.751 17.882 -18.492 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.297 17.280 -17.184 1.00 13.96 C ATOM 0 HA PRO B 58 -10.075 16.399 -17.070 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.664 18.344 -18.956 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.085 16.662 -19.212 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.887 18.963 -18.507 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.284 17.482 -19.355 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.859 18.017 -16.610 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.972 16.447 -17.380 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.040 18.257 -15.853 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.384 19.418 -15.186 1.00 15.08 C ATOM 2293 C GLY B 59 -7.164 18.941 -14.395 1.00 14.96 C ATOM 2294 O GLY B 59 -6.852 17.769 -14.368 1.00 13.79 O ATOM 0 H GLY B 59 -8.527 17.377 -15.800 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.081 20.153 -15.931 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.090 19.913 -14.519 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.476 19.843 -13.744 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.284 19.445 -12.942 1.00 14.53 C ATOM 2300 C LEU B 60 -5.767 18.780 -11.655 1.00 14.15 C ATOM 2301 O LEU B 60 -6.801 19.134 -11.126 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.468 20.693 -12.593 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.004 20.467 -12.961 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.289 21.816 -13.070 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.333 19.617 -11.879 1.00 15.01 C ATOM 0 H LEU B 60 -6.690 20.840 -13.734 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.661 18.755 -13.511 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.859 21.557 -13.130 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.556 20.912 -11.529 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.945 19.949 -13.918 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.244 21.654 -13.333 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.767 22.420 -13.841 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.346 22.336 -12.114 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.287 19.455 -12.140 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.392 20.134 -10.921 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.842 18.656 -11.804 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.051 17.815 -11.143 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.522 17.154 -9.901 1.00 9.57 C ATOM 2319 C TYR B 61 -4.417 17.025 -8.876 1.00 11.76 C ATOM 2320 O TYR B 61 -3.241 17.119 -9.166 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.060 15.770 -10.224 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.475 15.914 -10.686 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.738 16.444 -11.949 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.525 15.538 -9.842 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.056 16.598 -12.376 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.844 15.692 -10.267 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.106 16.223 -11.533 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.409 16.366 -11.960 1.00 14.61 O ATOM 0 H TYR B 61 -4.174 17.463 -11.527 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.309 17.779 -9.479 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.454 15.298 -10.997 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.011 15.128 -9.344 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.922 16.734 -12.595 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.315 15.130 -8.864 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.265 17.005 -13.354 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.659 15.402 -9.621 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.433 16.380 -12.940 1.00 14.61 H new ATOM 2338 N THR B 62 -4.821 16.784 -7.670 1.00 12.22 N ATOM 2339 CA THR B 62 -3.867 16.607 -6.564 1.00 14.26 C ATOM 2340 C THR B 62 -4.467 15.573 -5.633 1.00 15.40 C ATOM 2341 O THR B 62 -5.555 15.741 -5.118 1.00 16.24 O ATOM 2342 CB THR B 62 -3.676 17.923 -5.826 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.896 18.300 -5.203 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.251 18.998 -6.822 1.00 11.61 C ATOM 0 H THR B 62 -5.801 16.701 -7.401 1.00 12.22 H new ATOM 0 HA THR B 62 -2.893 16.286 -6.933 1.00 14.26 H new ATOM 0 HB THR B 62 -2.906 17.809 -5.063 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.295 17.519 -4.766 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.112 19.944 -6.299 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.314 18.705 -7.296 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.022 19.114 -7.583 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.792 14.495 -5.437 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.356 13.441 -4.563 1.00 15.17 C ATOM 2354 C VAL B 63 -4.862 14.075 -3.273 1.00 14.24 C ATOM 2355 O VAL B 63 -4.624 15.234 -3.000 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.299 12.389 -4.259 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -3.972 11.180 -3.617 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.622 11.960 -5.566 1.00 18.64 C ATOM 0 H VAL B 63 -2.877 14.292 -5.839 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.187 12.953 -5.073 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.552 12.799 -3.580 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.222 10.421 -3.396 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.463 11.485 -2.693 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.713 10.769 -4.303 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.864 11.206 -5.353 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.368 11.543 -6.242 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.152 12.825 -6.033 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.567 13.324 -2.486 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.106 13.874 -1.215 1.00 10.78 C ATOM 2370 C HIS B 64 -5.857 12.865 -0.092 1.00 14.19 C ATOM 2371 O HIS B 64 -6.287 11.726 -0.162 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.609 14.120 -1.365 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.051 15.177 -0.392 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.407 15.384 0.817 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -9.090 16.075 -0.423 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -8.062 16.364 1.464 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -9.096 16.823 0.752 1.00 20.65 N ATOM 0 H HIS B 64 -5.796 12.347 -2.667 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.611 14.816 -0.977 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.836 14.433 -2.384 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.158 13.195 -1.186 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.794 16.184 -1.234 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.786 16.735 2.440 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.749 17.562 1.013 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.161 13.269 0.938 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.873 12.339 2.065 1.00 14.44 C ATOM 2387 C LEU B 65 -6.181 11.979 2.768 1.00 12.66 C ATOM 2388 O LEU B 65 -6.223 11.099 3.606 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.859 13.021 3.014 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.354 13.122 4.470 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.450 12.288 5.375 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -4.312 14.587 4.916 1.00 19.03 C ATOM 0 H LEU B 65 -4.779 14.208 1.046 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.431 11.408 1.710 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -2.923 12.463 2.994 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.641 14.022 2.642 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.376 12.748 4.536 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.800 12.360 6.405 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -3.476 11.246 5.055 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -2.428 12.662 5.313 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.661 14.664 5.946 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -3.289 14.958 4.851 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -4.956 15.183 4.269 1.00 19.03 H new ATOM 2404 N SER B 66 -7.251 12.640 2.432 1.00 13.51 N ATOM 2405 CA SER B 66 -8.547 12.321 3.079 1.00 10.39 C ATOM 2406 C SER B 66 -8.822 10.824 2.927 1.00 8.56 C ATOM 2407 O SER B 66 -9.660 10.265 3.607 1.00 11.70 O ATOM 2408 CB SER B 66 -9.664 13.118 2.405 1.00 12.88 C ATOM 2409 OG SER B 66 -9.844 12.644 1.077 1.00 14.72 O ATOM 0 H SER B 66 -7.282 13.387 1.738 1.00 13.51 H new ATOM 0 HA SER B 66 -8.507 12.583 4.136 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.591 13.015 2.969 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.414 14.179 2.394 1.00 12.88 H new ATOM 0 HG SER B 66 -10.561 13.152 0.643 1.00 14.72 H new ATOM 2415 N SER B 67 -8.132 10.172 2.027 1.00 7.98 N ATOM 2416 CA SER B 67 -8.369 8.716 1.823 1.00 8.20 C ATOM 2417 C SER B 67 -7.242 7.879 2.446 1.00 11.02 C ATOM 2418 O SER B 67 -7.318 6.667 2.483 1.00 11.45 O ATOM 2419 CB SER B 67 -8.429 8.418 0.331 1.00 8.01 C ATOM 2420 OG SER B 67 -9.702 7.875 0.008 1.00 11.22 O ATOM 0 H SER B 67 -7.418 10.585 1.428 1.00 7.98 H new ATOM 0 HA SER B 67 -9.311 8.454 2.305 1.00 8.20 H new ATOM 0 HB2 SER B 67 -8.255 9.330 -0.240 1.00 8.01 H new ATOM 0 HB3 SER B 67 -7.642 7.715 0.058 1.00 8.01 H new ATOM 0 HG SER B 67 -9.586 7.077 -0.548 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.193 8.496 2.924 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.082 7.695 3.519 1.00 11.79 C ATOM 2428 C PHE B 68 -5.509 7.167 4.889 1.00 12.69 C ATOM 2429 O PHE B 68 -6.448 7.652 5.489 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.831 8.568 3.683 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.495 9.272 2.385 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.177 8.957 1.201 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.509 10.262 2.380 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.871 9.636 0.018 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.201 10.939 1.196 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.883 10.627 0.015 1.00 11.87 C ATOM 0 H PHE B 68 -6.058 9.507 2.929 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.854 6.861 2.856 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.996 9.304 4.470 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.989 7.950 3.996 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.938 8.191 1.203 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.984 10.505 3.292 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.397 9.396 -0.894 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.437 11.702 1.193 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.647 11.151 -0.899 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.819 6.180 5.390 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.174 5.622 6.726 1.00 15.38 C ATOM 2448 C LYS B 69 -3.908 5.116 7.417 1.00 15.02 C ATOM 2449 O LYS B 69 -2.840 5.092 6.838 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.154 4.462 6.554 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.551 5.013 6.261 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.567 3.871 6.295 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.070 3.595 4.877 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.196 2.620 4.931 1.00 32.70 N ATOM 0 H LYS B 69 -4.024 5.735 4.932 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.637 6.401 7.332 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.829 3.815 5.739 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.174 3.852 7.457 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.816 5.772 6.997 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.565 5.498 5.285 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.108 2.974 6.711 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -9.402 4.132 6.945 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.400 4.523 4.410 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.261 3.199 4.263 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.539 2.432 3.967 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -9.866 1.732 5.361 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.970 3.015 5.503 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.020 4.704 8.648 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.823 4.190 9.375 1.00 13.49 C ATOM 2470 C VAL B 70 -3.022 2.704 9.675 1.00 11.85 C ATOM 2471 O VAL B 70 -3.840 2.329 10.491 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.632 4.948 10.689 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.136 5.118 10.968 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.294 6.327 10.602 1.00 15.63 C ATOM 0 H VAL B 70 -4.888 4.700 9.184 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.939 4.334 8.753 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.094 4.381 11.497 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.000 5.658 11.905 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.666 4.137 11.043 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.676 5.679 10.155 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.152 6.859 11.543 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.841 6.897 9.791 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.360 6.207 10.410 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.282 1.855 9.020 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.430 0.393 9.263 1.00 11.07 C ATOM 2486 C GLY B 71 -1.479 -0.040 10.380 1.00 12.15 C ATOM 2487 O GLY B 71 -0.754 0.761 10.936 1.00 12.70 O ATOM 0 H GLY B 71 -1.580 2.110 8.326 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.459 0.162 9.538 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.212 -0.162 8.350 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.473 -1.303 10.714 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.569 -1.783 11.792 1.00 19.42 C ATOM 2493 C GLN B 72 0.784 -2.164 11.189 1.00 16.97 C ATOM 2494 O GLN B 72 1.397 -3.138 11.577 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.189 -3.004 12.475 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.321 -2.738 13.976 1.00 25.29 C ATOM 2497 CD GLN B 72 -0.004 -2.175 14.515 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -0.002 -1.367 15.422 1.00 26.22 O ATOM 2499 NE2 GLN B 72 1.124 -2.571 13.991 1.00 25.15 N ATOM 0 H GLN B 72 -2.056 -2.021 10.285 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.428 -0.991 12.528 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.168 -3.216 12.045 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -0.568 -3.884 12.304 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -2.132 -2.034 14.161 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.575 -3.661 14.498 1.00 25.29 H new ATOM 0 HE21 GLN B 72 1.122 -3.250 13.229 1.00 25.15 H new ATOM 0 HE22 GLN B 72 2.007 -2.202 14.343 1.00 25.15 H new ATOM 2508 N PHE B 73 1.253 -1.400 10.243 1.00 14.56 N ATOM 2509 CA PHE B 73 2.567 -1.711 9.612 1.00 14.60 C ATOM 2510 C PHE B 73 3.577 -0.628 9.991 1.00 15.63 C ATOM 2511 O PHE B 73 4.652 -0.544 9.431 1.00 17.80 O ATOM 2512 CB PHE B 73 2.408 -1.744 8.092 1.00 12.63 C ATOM 2513 CG PHE B 73 1.964 -3.120 7.662 1.00 14.99 C ATOM 2514 CD1 PHE B 73 2.636 -4.252 8.137 1.00 16.27 C ATOM 2515 CD2 PHE B 73 0.881 -3.264 6.787 1.00 19.79 C ATOM 2516 CE1 PHE B 73 2.225 -5.529 7.737 1.00 20.44 C ATOM 2517 CE2 PHE B 73 0.470 -4.541 6.387 1.00 18.68 C ATOM 2518 CZ PHE B 73 1.142 -5.674 6.862 1.00 17.88 C ATOM 0 H PHE B 73 0.783 -0.572 9.878 1.00 14.56 H new ATOM 0 HA PHE B 73 2.919 -2.681 9.962 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.677 -0.999 7.776 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.352 -1.488 7.611 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.472 -4.140 8.812 1.00 16.27 H new ATOM 0 HD2 PHE B 73 0.363 -2.390 6.421 1.00 19.79 H new ATOM 0 HE1 PHE B 73 2.744 -6.403 8.104 1.00 20.44 H new ATOM 0 HE2 PHE B 73 -0.366 -4.652 5.712 1.00 18.68 H new ATOM 0 HZ PHE B 73 0.825 -6.659 6.553 1.00 17.88 H new ATOM 2528 N GLY B 74 3.238 0.205 10.935 1.00 13.82 N ATOM 2529 CA GLY B 74 4.177 1.286 11.345 1.00 13.44 C ATOM 2530 C GLY B 74 4.401 2.235 10.168 1.00 10.42 C ATOM 2531 O GLY B 74 5.431 2.869 10.056 1.00 13.62 O ATOM 0 H GLY B 74 2.352 0.184 11.440 1.00 13.82 H new ATOM 0 HA2 GLY B 74 3.770 1.833 12.196 1.00 13.44 H new ATOM 0 HA3 GLY B 74 5.126 0.857 11.666 1.00 13.44 H new ATOM 2535 N SER B 75 3.443 2.337 9.286 1.00 12.64 N ATOM 2536 CA SER B 75 3.601 3.246 8.116 1.00 12.47 C ATOM 2537 C SER B 75 2.222 3.672 7.609 1.00 12.47 C ATOM 2538 O SER B 75 1.236 2.991 7.813 1.00 11.32 O ATOM 2539 CB SER B 75 4.349 2.514 7.001 1.00 11.21 C ATOM 2540 OG SER B 75 5.431 1.784 7.563 1.00 18.27 O ATOM 0 H SER B 75 2.559 1.830 9.326 1.00 12.64 H new ATOM 0 HA SER B 75 4.166 4.129 8.416 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.673 1.839 6.476 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.720 3.228 6.266 1.00 11.21 H new ATOM 0 HG SER B 75 5.912 1.312 6.851 1.00 18.27 H new ATOM 2546 N LEU B 76 2.144 4.796 6.950 1.00 12.43 N ATOM 2547 CA LEU B 76 0.830 5.268 6.429 1.00 12.18 C ATOM 2548 C LEU B 76 0.350 4.327 5.323 1.00 12.07 C ATOM 2549 O LEU B 76 1.058 3.433 4.904 1.00 9.82 O ATOM 2550 CB LEU B 76 0.988 6.680 5.861 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.041 7.609 6.504 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.085 7.537 8.027 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.212 9.045 6.037 1.00 7.80 C ATOM 0 H LEU B 76 2.935 5.408 6.750 1.00 12.43 H new ATOM 0 HA LEU B 76 0.100 5.278 7.239 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.996 7.049 6.052 1.00 11.99 H new ATOM 0 HB3 LEU B 76 0.854 6.665 4.779 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.044 7.301 6.210 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.649 8.200 8.485 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.093 6.514 8.359 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.087 7.846 8.324 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.520 9.711 6.494 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.215 9.352 6.332 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.121 9.096 4.952 1.00 7.80 H new ATOM 2565 N MET B 77 -0.848 4.523 4.845 1.00 14.08 N ATOM 2566 CA MET B 77 -1.371 3.642 3.763 1.00 14.12 C ATOM 2567 C MET B 77 -2.519 4.347 3.039 1.00 11.37 C ATOM 2568 O MET B 77 -3.634 4.402 3.518 1.00 11.44 O ATOM 2569 CB MET B 77 -1.878 2.332 4.367 1.00 16.48 C ATOM 2570 CG MET B 77 -0.689 1.439 4.727 1.00 24.75 C ATOM 2571 SD MET B 77 -1.190 -0.298 4.640 1.00 35.11 S ATOM 2572 CE MET B 77 0.045 -0.830 3.430 1.00 33.86 C ATOM 0 H MET B 77 -1.487 5.255 5.157 1.00 14.08 H new ATOM 0 HA MET B 77 -0.571 3.428 3.054 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.474 2.537 5.256 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.528 1.820 3.658 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.139 1.624 4.043 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.333 1.676 5.730 1.00 24.75 H new ATOM 0 HE1 MET B 77 -0.082 -1.893 3.224 1.00 33.86 H new ATOM 0 HE2 MET B 77 -0.082 -0.264 2.507 1.00 33.86 H new ATOM 0 HE3 MET B 77 1.044 -0.655 3.829 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.245 4.889 1.889 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.304 5.601 1.115 1.00 11.62 C ATOM 2584 C ILE B 78 -4.614 4.814 1.173 1.00 11.45 C ATOM 2585 O ILE B 78 -5.680 5.372 1.343 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.844 5.759 -0.344 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -1.990 7.024 -0.465 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.049 5.872 -1.286 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.821 6.760 -1.416 1.00 13.67 C ATOM 0 H ILE B 78 -1.327 4.871 1.446 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.473 6.586 1.550 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.263 4.881 -0.625 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.596 7.851 -0.837 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.616 7.319 0.516 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.699 5.983 -2.312 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.659 4.972 -1.206 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.646 6.741 -1.010 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.212 7.660 -1.503 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.211 5.946 -1.025 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.206 6.486 -2.398 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.543 3.529 1.024 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.785 2.707 1.057 1.00 14.79 C ATOM 2603 C ASP B 79 -6.826 3.341 0.133 1.00 15.20 C ATOM 2604 O ASP B 79 -7.933 3.637 0.534 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.325 2.673 2.481 1.00 12.21 C ATOM 2606 CG ASP B 79 -6.863 1.275 2.794 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -6.068 0.425 3.159 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.060 1.080 2.663 1.00 21.87 O ATOM 0 H ASP B 79 -3.679 3.006 0.880 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.568 1.692 0.725 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.536 2.936 3.186 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.117 3.413 2.598 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.460 3.558 -1.100 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.400 4.183 -2.080 1.00 17.14 C ATOM 2615 C ARG B 80 -7.375 5.699 -1.898 1.00 14.98 C ATOM 2616 O ARG B 80 -8.232 6.274 -1.260 1.00 16.47 O ATOM 2617 CB ARG B 80 -8.821 3.656 -1.858 1.00 17.78 C ATOM 2618 CG ARG B 80 -9.672 3.927 -3.102 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.461 2.667 -3.467 1.00 28.43 C ATOM 2620 NE ARG B 80 -11.890 2.847 -3.079 1.00 33.10 N ATOM 2621 CZ ARG B 80 -12.800 2.022 -3.525 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.460 1.023 -4.294 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.051 2.195 -3.197 1.00 35.04 N ATOM 0 H ARG B 80 -5.541 3.327 -1.477 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.089 3.929 -3.093 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -8.794 2.586 -1.650 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.267 4.139 -0.988 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -10.356 4.755 -2.914 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.034 4.223 -3.935 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.385 2.474 -4.537 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.040 1.801 -2.956 1.00 28.43 H new ATOM 0 HE ARG B 80 -12.157 3.616 -2.464 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.482 0.885 -4.548 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.173 0.381 -4.641 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.317 2.973 -2.594 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -14.763 1.552 -3.544 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.384 6.340 -2.450 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.257 7.813 -2.315 1.00 11.27 C ATOM 2639 C LEU B 81 -7.496 8.518 -2.874 1.00 15.61 C ATOM 2640 O LEU B 81 -8.167 8.018 -3.755 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.014 8.275 -3.076 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.326 8.388 -4.566 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.063 8.815 -5.317 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -5.796 7.026 -5.087 1.00 18.72 C ATOM 0 H LEU B 81 -5.646 5.896 -2.997 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.167 8.067 -1.259 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.680 9.239 -2.692 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.198 7.569 -2.919 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.110 9.129 -4.723 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.283 8.897 -6.382 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.725 9.781 -4.941 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.280 8.072 -5.164 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.020 7.101 -6.151 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.010 6.287 -4.933 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -6.693 6.720 -4.548 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.780 9.693 -2.387 1.00 13.37 N ATOM 2657 CA ARG B 82 -8.948 10.457 -2.905 1.00 12.72 C ATOM 2658 C ARG B 82 -8.411 11.574 -3.799 1.00 13.33 C ATOM 2659 O ARG B 82 -7.840 12.535 -3.331 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.741 11.055 -1.741 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.172 10.514 -1.771 1.00 16.22 C ATOM 2662 CD ARG B 82 -11.580 10.059 -0.369 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.257 8.733 -0.456 1.00 15.85 N ATOM 2664 CZ ARG B 82 -12.444 8.018 0.622 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -12.042 8.461 1.782 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -13.034 6.857 0.538 1.00 16.89 N ATOM 0 H ARG B 82 -7.251 10.159 -1.650 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.613 9.802 -3.468 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.265 10.802 -0.794 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.750 12.143 -1.813 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.855 11.285 -2.127 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.241 9.680 -2.469 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -10.702 9.990 0.273 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.248 10.792 0.083 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.575 8.383 -1.360 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -11.580 9.368 1.849 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -12.190 7.900 2.621 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -13.348 6.509 -0.368 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -13.181 6.298 1.378 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.552 11.439 -5.084 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.006 12.481 -6.000 1.00 13.86 C ATOM 2682 C LEU B 83 -8.953 13.675 -6.117 1.00 13.02 C ATOM 2683 O LEU B 83 -10.161 13.541 -6.114 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.792 11.885 -7.387 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.381 12.196 -7.883 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.310 11.919 -9.386 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.062 13.669 -7.621 1.00 10.58 C ATOM 0 H LEU B 83 -9.019 10.656 -5.542 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.060 12.826 -5.584 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.944 10.806 -7.355 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.527 12.290 -8.082 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.659 11.571 -7.358 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.306 12.138 -9.749 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.543 10.871 -9.574 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.030 12.550 -9.907 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.055 13.892 -7.975 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.780 14.296 -8.150 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.124 13.870 -6.551 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.388 14.843 -6.235 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.189 16.079 -6.371 1.00 12.86 C ATOM 2701 C VAL B 84 -8.432 17.018 -7.320 1.00 14.98 C ATOM 2702 O VAL B 84 -7.243 16.859 -7.510 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.319 16.721 -4.991 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -10.061 15.768 -4.053 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.922 17.005 -4.431 1.00 17.34 C ATOM 0 H VAL B 84 -7.379 14.991 -6.242 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.184 15.873 -6.766 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.876 17.654 -5.073 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -10.154 16.226 -3.068 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -11.054 15.563 -4.453 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.505 14.835 -3.968 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -8.011 17.463 -3.446 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.367 16.071 -4.348 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.393 17.683 -5.100 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.124 17.974 -7.880 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.510 18.950 -8.798 1.00 22.41 C ATOM 2717 C PRO B 85 -7.431 19.771 -8.074 1.00 25.70 C ATOM 2718 O PRO B 85 -7.517 20.019 -6.888 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.690 19.800 -9.273 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.802 19.590 -8.234 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.558 18.191 -7.643 1.00 20.63 C ATOM 0 HA PRO B 85 -7.989 18.491 -9.638 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.412 20.852 -9.341 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.019 19.492 -10.266 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.763 20.355 -7.459 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.787 19.654 -8.696 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.801 18.154 -6.581 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.167 17.433 -8.136 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.405 20.176 -8.780 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.305 20.958 -8.138 1.00 39.94 C ATOM 2731 C ALA B 86 -5.752 22.409 -7.950 1.00 46.96 C ATOM 2732 O ALA B 86 -6.140 23.075 -8.889 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.066 20.919 -9.038 1.00 39.70 C ATOM 0 H ALA B 86 -6.282 19.998 -9.777 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.067 20.524 -7.167 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.261 21.488 -8.574 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.748 19.885 -9.174 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.307 21.355 -10.007 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.701 22.905 -6.745 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.123 24.314 -6.501 1.00 55.12 C ATOM 2741 C LYS B 87 -4.944 25.111 -5.940 1.00 55.82 C ATOM 2742 O LYS B 87 -4.747 26.231 -6.382 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.278 24.336 -5.497 1.00 52.96 C ATOM 2744 CG LYS B 87 -8.462 23.549 -6.062 1.00 55.49 C ATOM 2745 CD LYS B 87 -9.144 24.368 -7.160 1.00 56.64 C ATOM 2746 CE LYS B 87 -10.419 25.007 -6.605 1.00 58.91 C ATOM 2747 NZ LYS B 87 -11.492 24.952 -7.638 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.258 24.587 -5.077 1.00 57.66 O ATOM 0 H LYS B 87 -5.386 22.397 -5.919 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.450 24.762 -7.440 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.958 23.902 -4.550 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.576 25.364 -5.292 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -8.119 22.596 -6.465 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -9.173 23.322 -5.268 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -8.467 25.140 -7.525 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -9.385 23.728 -8.009 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -10.739 24.483 -5.704 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -10.226 26.041 -6.320 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -12.359 25.386 -7.262 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -11.185 25.471 -8.485 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -11.682 23.961 -7.889 1.00 58.16 H new