USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 965 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 55 THR OG1 : rot 119:sc= 0.0664 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.18 USER MOD Set 2.1: B 7 THR OG1 : rot 120:sc= -1.01! USER MOD Set 2.2: B 9 THR OG1 : rot -91:sc= 1.67 USER MOD Set 3.1: A 71 GLN : amide:sc= 0.00107 X(o=-0.091,f=0.18) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.0918 X(o=-0.091,f=0.18) USER MOD Set 4.1: A 64 SER OG : rot -180:sc= 1.14 USER MOD Set 4.2: A 67 GLN : amide:sc= 1.01 K(o=2.2,f=-2.5!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.803 K(o=-0.8,f=-4.9!) USER MOD Single : A 76 MET CE :methyl 162:sc= -0.0322 (180deg=-0.36) USER MOD Single : A 79 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.2) USER MOD Single : A 84 SER OG : rot 74:sc= 1.17 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 91 THR OG1 : rot -10:sc= 0.918 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -138:sc= -0.333 (180deg=-0.735) USER MOD Single : B 1 MET N :NH3+ 154:sc= 1.25 (180deg=1.17) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.694) USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.077 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : B 25 ASN : amide:sc= 0.471 K(o=0.47,f=-1.3!) USER MOD Single : B 27 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.04) USER MOD Single : B 29 LYS NZ :NH3+ -173:sc= 0.453 (180deg=0.426) USER MOD Single : B 31 GLN : amide:sc= -1.32 K(o=-1.3,f=-2) USER MOD Single : B 33 LYS NZ :NH3+ 165:sc= 1.03 (180deg=0.912) USER MOD Single : B 40 GLN : amide:sc= 0.655 K(o=0.66,f=-2.7!) USER MOD Single : B 41 GLN : amide:sc= 0.879 K(o=0.88,f=-6.6!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.257! X(o=-0.26!,f=-0.064) USER MOD Single : B 59 TYR OH : rot 17:sc= 1.11 USER MOD Single : B 60 ASN : amide:sc= -0.998 K(o=-1,f=-0.26) USER MOD Single : B 62 GLN : amide:sc= -0.735 K(o=-0.73,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 145:sc= 1.23 (180deg=-0.512) USER MOD Single : B 65 SER OG : rot 126:sc= 1.19 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 63 -27.296 10.981 2.061 1.00 14.11 N ATOM 2 CA GLY A 63 -26.772 10.850 0.683 1.00 13.39 C ATOM 3 C GLY A 63 -26.640 9.406 0.269 1.00 12.08 C ATOM 4 O GLY A 63 -27.564 8.615 0.455 1.00 11.75 O ATOM 0 HA2 GLY A 63 -27.436 11.367 -0.009 1.00 13.39 H new ATOM 0 HA3 GLY A 63 -25.799 11.338 0.616 1.00 13.39 H new ATOM 8 N SER A 64 -25.481 9.052 -0.271 1.00 11.42 N ATOM 9 CA SER A 64 -25.228 7.692 -0.724 1.00 10.21 C ATOM 10 C SER A 64 -24.880 6.766 0.445 1.00 9.88 C ATOM 11 O SER A 64 -24.981 7.151 1.614 1.00 10.50 O ATOM 12 CB SER A 64 -24.099 7.699 -1.750 1.00 9.77 C ATOM 13 OG SER A 64 -24.230 8.796 -2.636 1.00 9.97 O ATOM 0 H SER A 64 -24.698 9.692 -0.406 1.00 11.42 H new ATOM 0 HA SER A 64 -26.138 7.309 -1.185 1.00 10.21 H new ATOM 0 HB2 SER A 64 -23.138 7.752 -1.239 1.00 9.77 H new ATOM 0 HB3 SER A 64 -24.109 6.767 -2.315 1.00 9.77 H new ATOM 0 HG SER A 64 -23.498 8.780 -3.287 1.00 9.97 H new ATOM 19 N GLN A 65 -24.462 5.548 0.122 1.00 9.07 N ATOM 20 CA GLN A 65 -24.115 4.562 1.135 1.00 8.94 C ATOM 21 C GLN A 65 -22.653 4.671 1.552 1.00 8.54 C ATOM 22 O GLN A 65 -22.333 5.240 2.594 1.00 9.04 O ATOM 23 CB GLN A 65 -24.396 3.150 0.619 1.00 8.41 C ATOM 24 CG GLN A 65 -25.873 2.831 0.475 1.00 8.81 C ATOM 25 CD GLN A 65 -26.113 1.416 -0.009 1.00 8.35 C ATOM 26 OE1 GLN A 65 -26.218 1.166 -1.210 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.191 0.480 0.919 1.00 8.68 N ATOM 0 H GLN A 65 -24.355 5.220 -0.838 1.00 9.07 H new ATOM 0 HA GLN A 65 -24.733 4.763 2.010 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -23.911 3.024 -0.349 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -23.943 2.428 1.299 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -26.368 2.972 1.436 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -26.327 3.533 -0.224 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -26.099 0.729 1.904 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -26.344 -0.492 0.651 1.00 8.68 H new ATOM 36 N TRP A 66 -21.764 4.155 0.713 1.00 7.75 N ATOM 37 CA TRP A 66 -20.340 4.145 1.019 1.00 7.29 C ATOM 38 C TRP A 66 -19.602 5.331 0.410 1.00 7.94 C ATOM 39 O TRP A 66 -18.414 5.512 0.657 1.00 7.67 O ATOM 40 CB TRP A 66 -19.726 2.828 0.550 1.00 5.95 C ATOM 41 CG TRP A 66 -20.404 1.634 1.144 1.00 5.44 C ATOM 42 CD1 TRP A 66 -20.434 1.285 2.463 1.00 5.69 C ATOM 43 CD2 TRP A 66 -21.159 0.636 0.449 1.00 4.95 C ATOM 44 NE1 TRP A 66 -21.163 0.134 2.631 1.00 5.50 N ATOM 45 CE2 TRP A 66 -21.617 -0.285 1.409 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.492 0.434 -0.894 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -22.389 -1.393 1.071 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -22.261 -0.666 -1.229 1.00 4.46 C ATOM 49 CH2 TRP A 66 -22.702 -1.565 -0.252 1.00 4.35 C ATOM 0 H TRP A 66 -22.005 3.737 -0.186 1.00 7.75 H new ATOM 0 HA TRP A 66 -20.232 4.236 2.100 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -19.784 2.771 -0.537 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -18.669 2.810 0.814 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -19.954 1.835 3.259 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -21.338 -0.333 3.521 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -21.156 1.123 -1.655 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -22.728 -2.090 1.823 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -22.526 -0.834 -2.263 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -23.302 -2.413 -0.547 1.00 4.35 H new ATOM 60 N GLN A 67 -20.302 6.140 -0.374 1.00 8.91 N ATOM 61 CA GLN A 67 -19.689 7.315 -0.992 1.00 9.79 C ATOM 62 C GLN A 67 -19.093 8.260 0.067 1.00 10.34 C ATOM 63 O GLN A 67 -17.952 8.697 -0.082 1.00 10.35 O ATOM 64 CB GLN A 67 -20.692 8.059 -1.871 1.00 10.87 C ATOM 65 CG GLN A 67 -20.048 8.823 -3.014 1.00 11.49 C ATOM 66 CD GLN A 67 -21.050 9.246 -4.069 1.00 12.17 C ATOM 67 OE1 GLN A 67 -22.075 8.592 -4.268 1.00 12.51 O ATOM 68 NE2 GLN A 67 -20.762 10.337 -4.752 1.00 12.54 N ATOM 0 H GLN A 67 -21.288 6.008 -0.598 1.00 8.91 H new ATOM 0 HA GLN A 67 -18.874 6.963 -1.625 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -21.405 7.343 -2.280 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -21.258 8.756 -1.253 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -19.547 9.707 -2.619 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -19.281 8.201 -3.475 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -19.902 10.850 -4.556 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -21.399 10.668 -5.476 1.00 12.54 H new ATOM 77 N PRO A 68 -19.835 8.596 1.159 1.00 10.91 N ATOM 78 CA PRO A 68 -19.306 9.470 2.216 1.00 11.55 C ATOM 79 C PRO A 68 -18.083 8.854 2.889 1.00 10.63 C ATOM 80 O PRO A 68 -17.245 9.556 3.457 1.00 10.96 O ATOM 81 CB PRO A 68 -20.458 9.592 3.219 1.00 12.27 C ATOM 82 CG PRO A 68 -21.674 9.203 2.459 1.00 12.32 C ATOM 83 CD PRO A 68 -21.223 8.189 1.448 1.00 11.14 C ATOM 0 HA PRO A 68 -18.981 10.433 1.821 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -20.304 8.939 4.078 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -20.541 10.609 3.603 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -22.431 8.783 3.122 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -22.122 10.068 1.971 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -21.271 7.175 1.845 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -21.844 8.210 0.552 1.00 11.14 H new ATOM 91 N GLN A 69 -17.993 7.529 2.817 1.00 9.49 N ATOM 92 CA GLN A 69 -16.872 6.804 3.392 1.00 8.55 C ATOM 93 C GLN A 69 -15.674 6.901 2.458 1.00 8.02 C ATOM 94 O GLN A 69 -14.536 7.061 2.900 1.00 7.78 O ATOM 95 CB GLN A 69 -17.250 5.341 3.636 1.00 7.60 C ATOM 96 CG GLN A 69 -18.367 5.158 4.651 1.00 8.24 C ATOM 97 CD GLN A 69 -17.916 5.411 6.077 1.00 9.20 C ATOM 98 OE1 GLN A 69 -17.033 6.233 6.335 1.00 9.45 O ATOM 99 NE2 GLN A 69 -18.514 4.699 7.012 1.00 9.96 N ATOM 0 H GLN A 69 -18.688 6.936 2.363 1.00 9.49 H new ATOM 0 HA GLN A 69 -16.611 7.249 4.352 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -17.553 4.891 2.691 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -16.368 4.800 3.978 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -19.186 5.835 4.409 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -18.759 4.144 4.574 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -19.240 4.029 6.757 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -18.251 4.818 7.990 1.00 9.96 H new ATOM 108 N LEU A 70 -15.946 6.830 1.155 1.00 8.02 N ATOM 109 CA LEU A 70 -14.899 6.935 0.146 1.00 7.89 C ATOM 110 C LEU A 70 -14.230 8.297 0.241 1.00 8.90 C ATOM 111 O LEU A 70 -13.039 8.437 -0.032 1.00 8.74 O ATOM 112 CB LEU A 70 -15.470 6.745 -1.263 1.00 8.18 C ATOM 113 CG LEU A 70 -16.123 5.392 -1.537 1.00 7.26 C ATOM 114 CD1 LEU A 70 -16.652 5.346 -2.961 1.00 7.86 C ATOM 115 CD2 LEU A 70 -15.137 4.258 -1.299 1.00 6.12 C ATOM 0 H LEU A 70 -16.884 6.700 0.776 1.00 8.02 H new ATOM 0 HA LEU A 70 -14.167 6.148 0.331 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -16.207 7.527 -1.445 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -14.666 6.892 -1.984 1.00 8.18 H new ATOM 0 HG LEU A 70 -16.958 5.265 -0.847 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -17.116 4.377 -3.146 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -17.392 6.135 -3.100 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -15.829 5.494 -3.660 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -15.624 3.304 -1.500 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -14.280 4.375 -1.963 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -14.799 4.281 -0.263 1.00 6.12 H new ATOM 127 N GLN A 71 -15.015 9.296 0.640 1.00 9.99 N ATOM 128 CA GLN A 71 -14.520 10.658 0.806 1.00 11.06 C ATOM 129 C GLN A 71 -13.361 10.679 1.796 1.00 10.72 C ATOM 130 O GLN A 71 -12.375 11.386 1.603 1.00 11.09 O ATOM 131 CB GLN A 71 -15.646 11.571 1.297 1.00 12.24 C ATOM 132 CG GLN A 71 -15.166 12.917 1.812 1.00 13.13 C ATOM 133 CD GLN A 71 -16.127 13.540 2.802 1.00 13.82 C ATOM 134 OE1 GLN A 71 -16.063 13.271 4.003 1.00 14.10 O ATOM 135 NE2 GLN A 71 -17.014 14.387 2.310 1.00 14.24 N ATOM 0 H GLN A 71 -16.006 9.184 0.856 1.00 9.99 H new ATOM 0 HA GLN A 71 -14.166 11.022 -0.158 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -16.350 11.735 0.481 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -16.192 11.063 2.091 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -14.192 12.794 2.286 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -15.028 13.595 0.970 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -17.033 14.582 1.309 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -17.680 14.846 2.931 1.00 14.24 H new ATOM 144 N GLN A 72 -13.481 9.876 2.847 1.00 10.10 N ATOM 145 CA GLN A 72 -12.449 9.789 3.874 1.00 9.84 C ATOM 146 C GLN A 72 -11.164 9.218 3.288 1.00 8.80 C ATOM 147 O GLN A 72 -10.060 9.605 3.676 1.00 8.95 O ATOM 148 CB GLN A 72 -12.932 8.919 5.033 1.00 9.58 C ATOM 149 CG GLN A 72 -14.119 9.506 5.780 1.00 10.51 C ATOM 150 CD GLN A 72 -13.756 10.769 6.536 1.00 11.48 C ATOM 151 OE1 GLN A 72 -13.304 10.709 7.679 1.00 11.74 O ATOM 152 NE2 GLN A 72 -13.964 11.920 5.915 1.00 12.15 N ATOM 0 H GLN A 72 -14.287 9.273 3.011 1.00 10.10 H new ATOM 0 HA GLN A 72 -12.245 10.792 4.248 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -13.205 7.936 4.649 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -12.110 8.771 5.733 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -14.918 9.726 5.072 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -14.508 8.766 6.479 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -14.340 11.927 4.967 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -13.748 12.799 6.385 1.00 12.15 H new ATOM 161 N LEU A 73 -11.320 8.289 2.356 1.00 7.83 N ATOM 162 CA LEU A 73 -10.182 7.667 1.695 1.00 6.88 C ATOM 163 C LEU A 73 -9.565 8.645 0.705 1.00 7.64 C ATOM 164 O LEU A 73 -8.347 8.834 0.672 1.00 7.45 O ATOM 165 CB LEU A 73 -10.617 6.392 0.969 1.00 5.88 C ATOM 166 CG LEU A 73 -11.116 5.264 1.873 1.00 5.07 C ATOM 167 CD1 LEU A 73 -11.876 4.234 1.060 1.00 4.30 C ATOM 168 CD2 LEU A 73 -9.952 4.607 2.602 1.00 4.47 C ATOM 0 H LEU A 73 -12.228 7.948 2.039 1.00 7.83 H new ATOM 0 HA LEU A 73 -9.440 7.401 2.448 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -11.408 6.647 0.264 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -9.775 6.021 0.384 1.00 5.88 H new ATOM 0 HG LEU A 73 -11.791 5.691 2.615 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -12.225 3.437 1.717 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -12.731 4.709 0.579 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -11.219 3.814 0.298 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -10.327 3.807 3.240 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -9.254 4.193 1.874 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -9.440 5.350 3.214 1.00 4.47 H new ATOM 180 N ARG A 74 -10.425 9.279 -0.084 1.00 8.61 N ATOM 181 CA ARG A 74 -9.999 10.251 -1.084 1.00 9.59 C ATOM 182 C ARG A 74 -9.266 11.413 -0.424 1.00 10.26 C ATOM 183 O ARG A 74 -8.260 11.902 -0.937 1.00 10.62 O ATOM 184 CB ARG A 74 -11.213 10.771 -1.863 1.00 10.58 C ATOM 185 CG ARG A 74 -11.895 9.716 -2.722 1.00 10.33 C ATOM 186 CD ARG A 74 -13.205 10.235 -3.293 1.00 11.09 C ATOM 187 NE ARG A 74 -13.840 9.272 -4.194 1.00 11.57 N ATOM 188 CZ ARG A 74 -15.092 9.381 -4.644 1.00 12.12 C ATOM 189 NH1 ARG A 74 -15.857 10.398 -4.261 1.00 12.26 N ATOM 190 NH2 ARG A 74 -15.582 8.468 -5.474 1.00 12.66 N ATOM 0 H ARG A 74 -11.434 9.134 -0.049 1.00 8.61 H new ATOM 0 HA ARG A 74 -9.316 9.758 -1.776 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -11.939 11.175 -1.157 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -10.896 11.596 -2.502 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -11.232 9.421 -3.535 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -12.084 8.824 -2.125 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -13.887 10.469 -2.476 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -13.021 11.165 -3.831 1.00 11.09 H new ATOM 0 HE ARG A 74 -13.291 8.467 -4.497 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -15.488 11.100 -3.620 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -16.813 10.476 -4.608 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -15.002 7.682 -5.768 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -16.539 8.552 -5.817 1.00 12.66 H new ATOM 204 N ASP A 75 -9.766 11.836 0.732 1.00 10.54 N ATOM 205 CA ASP A 75 -9.167 12.939 1.480 1.00 11.27 C ATOM 206 C ASP A 75 -7.809 12.541 2.055 1.00 10.44 C ATOM 207 O ASP A 75 -6.965 13.393 2.336 1.00 10.88 O ATOM 208 CB ASP A 75 -10.099 13.374 2.610 1.00 11.97 C ATOM 209 CG ASP A 75 -9.786 14.766 3.109 1.00 12.96 C ATOM 210 OD1 ASP A 75 -10.332 15.737 2.547 1.00 13.34 O ATOM 211 OD2 ASP A 75 -9.004 14.900 4.072 1.00 13.39 O ATOM 0 H ASP A 75 -10.590 11.430 1.175 1.00 10.54 H new ATOM 0 HA ASP A 75 -9.018 13.771 0.792 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -11.131 13.339 2.260 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -10.019 12.668 3.436 1.00 11.97 H new ATOM 216 N MET A 76 -7.608 11.242 2.234 1.00 9.25 N ATOM 217 CA MET A 76 -6.353 10.729 2.765 1.00 8.38 C ATOM 218 C MET A 76 -5.316 10.611 1.660 1.00 8.05 C ATOM 219 O MET A 76 -4.115 10.667 1.912 1.00 7.84 O ATOM 220 CB MET A 76 -6.559 9.366 3.429 1.00 7.29 C ATOM 221 CG MET A 76 -6.502 9.414 4.946 1.00 7.05 C ATOM 222 SD MET A 76 -6.618 7.777 5.696 1.00 6.11 S ATOM 223 CE MET A 76 -5.024 7.091 5.243 1.00 6.19 C ATOM 0 H MET A 76 -8.299 10.524 2.019 1.00 9.25 H new ATOM 0 HA MET A 76 -5.994 11.433 3.516 1.00 8.38 H new ATOM 0 HB2 MET A 76 -7.525 8.964 3.123 1.00 7.29 H new ATOM 0 HB3 MET A 76 -5.797 8.676 3.067 1.00 7.29 H new ATOM 0 HG2 MET A 76 -5.570 9.887 5.256 1.00 7.05 H new ATOM 0 HG3 MET A 76 -7.315 10.038 5.317 1.00 7.05 H new ATOM 0 HE1 MET A 76 -4.803 6.234 5.879 1.00 6.19 H new ATOM 0 HE2 MET A 76 -5.048 6.773 4.201 1.00 6.19 H new ATOM 0 HE3 MET A 76 -4.251 7.849 5.373 1.00 6.19 H new ATOM 233 N GLY A 77 -5.788 10.460 0.433 1.00 8.19 N ATOM 234 CA GLY A 77 -4.887 10.335 -0.693 1.00 8.26 C ATOM 235 C GLY A 77 -5.145 9.084 -1.507 1.00 7.78 C ATOM 236 O GLY A 77 -4.475 8.846 -2.514 1.00 8.03 O ATOM 0 H GLY A 77 -6.779 10.422 0.196 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -4.990 11.210 -1.335 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -3.859 10.324 -0.332 1.00 8.26 H new ATOM 240 N ILE A 78 -6.115 8.284 -1.075 1.00 7.25 N ATOM 241 CA ILE A 78 -6.458 7.049 -1.771 1.00 6.87 C ATOM 242 C ILE A 78 -7.033 7.360 -3.148 1.00 7.92 C ATOM 243 O ILE A 78 -8.093 7.980 -3.270 1.00 8.11 O ATOM 244 CB ILE A 78 -7.472 6.203 -0.967 1.00 5.66 C ATOM 245 CG1 ILE A 78 -6.907 5.852 0.420 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.843 4.936 -1.729 1.00 5.39 C ATOM 247 CD1 ILE A 78 -5.742 4.882 0.389 1.00 4.22 C ATOM 0 H ILE A 78 -6.678 8.470 -0.245 1.00 7.25 H new ATOM 0 HA ILE A 78 -5.541 6.470 -1.879 1.00 6.87 H new ATOM 0 HB ILE A 78 -8.376 6.797 -0.830 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -6.588 6.770 0.913 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -7.705 5.425 1.028 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.557 4.356 -1.145 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -8.290 5.205 -2.686 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -6.947 4.340 -1.902 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -5.403 4.687 1.407 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -6.059 3.947 -0.073 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -4.925 5.313 -0.189 1.00 4.22 H new ATOM 259 N GLN A 79 -6.311 6.945 -4.179 1.00 8.74 N ATOM 260 CA GLN A 79 -6.729 7.176 -5.554 1.00 9.84 C ATOM 261 C GLN A 79 -7.607 6.037 -6.063 1.00 9.63 C ATOM 262 O GLN A 79 -8.411 6.226 -6.977 1.00 10.41 O ATOM 263 CB GLN A 79 -5.506 7.355 -6.461 1.00 10.93 C ATOM 264 CG GLN A 79 -4.367 6.390 -6.169 1.00 11.98 C ATOM 265 CD GLN A 79 -3.014 7.073 -6.165 1.00 12.64 C ATOM 266 OE1 GLN A 79 -2.579 7.607 -5.146 1.00 12.98 O ATOM 267 NE2 GLN A 79 -2.340 7.055 -7.301 1.00 12.99 N ATOM 0 H GLN A 79 -5.427 6.444 -4.088 1.00 8.74 H new ATOM 0 HA GLN A 79 -7.320 8.091 -5.576 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -5.816 7.231 -7.499 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -5.138 8.376 -6.358 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -4.535 5.917 -5.201 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -4.367 5.596 -6.916 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -2.738 6.601 -8.123 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -1.422 7.495 -7.356 1.00 12.99 H new ATOM 276 N ASP A 80 -7.460 4.865 -5.463 1.00 8.64 N ATOM 277 CA ASP A 80 -8.240 3.693 -5.847 1.00 8.48 C ATOM 278 C ASP A 80 -9.552 3.660 -5.076 1.00 7.69 C ATOM 279 O ASP A 80 -9.802 2.745 -4.287 1.00 6.59 O ATOM 280 CB ASP A 80 -7.457 2.398 -5.579 1.00 8.02 C ATOM 281 CG ASP A 80 -5.987 2.633 -5.285 1.00 9.04 C ATOM 282 OD1 ASP A 80 -5.671 3.265 -4.250 1.00 9.40 O ATOM 283 OD2 ASP A 80 -5.137 2.169 -6.072 1.00 9.63 O ATOM 0 H ASP A 80 -6.802 4.698 -4.702 1.00 8.64 H new ATOM 0 HA ASP A 80 -8.446 3.762 -6.915 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -7.910 1.876 -4.736 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -7.546 1.742 -6.445 1.00 8.02 H new ATOM 288 N ASP A 81 -10.391 4.659 -5.310 1.00 8.34 N ATOM 289 CA ASP A 81 -11.674 4.758 -4.620 1.00 7.85 C ATOM 290 C ASP A 81 -12.657 3.695 -5.104 1.00 7.35 C ATOM 291 O ASP A 81 -13.451 3.184 -4.319 1.00 6.42 O ATOM 292 CB ASP A 81 -12.277 6.160 -4.787 1.00 8.97 C ATOM 293 CG ASP A 81 -12.848 6.405 -6.169 1.00 9.79 C ATOM 294 OD1 ASP A 81 -12.058 6.565 -7.123 1.00 10.41 O ATOM 295 OD2 ASP A 81 -14.086 6.451 -6.303 1.00 9.98 O ATOM 0 H ASP A 81 -10.209 5.413 -5.972 1.00 8.34 H new ATOM 0 HA ASP A 81 -11.488 4.582 -3.561 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -13.064 6.300 -4.046 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -11.509 6.905 -4.581 1.00 8.97 H new ATOM 300 N GLU A 82 -12.592 3.343 -6.385 1.00 8.08 N ATOM 301 CA GLU A 82 -13.491 2.329 -6.935 1.00 7.93 C ATOM 302 C GLU A 82 -13.162 0.964 -6.349 1.00 6.97 C ATOM 303 O GLU A 82 -14.056 0.208 -5.968 1.00 6.36 O ATOM 304 CB GLU A 82 -13.401 2.280 -8.460 1.00 9.21 C ATOM 305 CG GLU A 82 -13.800 3.577 -9.137 1.00 9.80 C ATOM 306 CD GLU A 82 -13.831 3.454 -10.644 1.00 10.67 C ATOM 307 OE1 GLU A 82 -14.874 3.033 -11.188 1.00 10.93 O ATOM 308 OE2 GLU A 82 -12.817 3.780 -11.296 1.00 11.24 O ATOM 0 H GLU A 82 -11.934 3.739 -7.057 1.00 8.08 H new ATOM 0 HA GLU A 82 -14.511 2.600 -6.664 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -12.380 2.030 -8.747 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -14.041 1.477 -8.827 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -14.783 3.883 -8.780 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -13.099 4.362 -8.853 1.00 9.80 H new ATOM 315 N LEU A 83 -11.872 0.666 -6.259 1.00 6.96 N ATOM 316 CA LEU A 83 -11.419 -0.600 -5.701 1.00 6.31 C ATOM 317 C LEU A 83 -11.813 -0.679 -4.230 1.00 4.93 C ATOM 318 O LEU A 83 -12.227 -1.729 -3.737 1.00 4.43 O ATOM 319 CB LEU A 83 -9.898 -0.736 -5.863 1.00 6.75 C ATOM 320 CG LEU A 83 -9.340 -2.168 -5.831 1.00 7.08 C ATOM 321 CD1 LEU A 83 -9.145 -2.652 -4.400 1.00 6.18 C ATOM 322 CD2 LEU A 83 -10.248 -3.125 -6.590 1.00 7.88 C ATOM 0 H LEU A 83 -11.121 1.285 -6.566 1.00 6.96 H new ATOM 0 HA LEU A 83 -11.893 -1.422 -6.237 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -9.611 -0.277 -6.809 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -9.416 -0.162 -5.072 1.00 6.75 H new ATOM 0 HG LEU A 83 -8.367 -2.150 -6.322 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -8.749 -3.668 -4.410 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -8.444 -1.995 -3.886 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -10.102 -2.641 -3.878 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -9.830 -4.131 -6.552 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -11.238 -3.126 -6.134 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -10.327 -2.805 -7.629 1.00 7.88 H new ATOM 334 N SER A 84 -11.704 0.450 -3.543 1.00 4.61 N ATOM 335 CA SER A 84 -12.055 0.530 -2.136 1.00 3.54 C ATOM 336 C SER A 84 -13.566 0.387 -1.952 1.00 3.20 C ATOM 337 O SER A 84 -14.025 -0.141 -0.943 1.00 2.40 O ATOM 338 CB SER A 84 -11.562 1.849 -1.542 1.00 4.04 C ATOM 339 OG SER A 84 -10.165 2.001 -1.737 1.00 4.41 O ATOM 0 H SER A 84 -11.373 1.328 -3.943 1.00 4.61 H new ATOM 0 HA SER A 84 -11.568 -0.290 -1.608 1.00 3.54 H new ATOM 0 HB2 SER A 84 -12.091 2.682 -2.006 1.00 4.04 H new ATOM 0 HB3 SER A 84 -11.790 1.881 -0.477 1.00 4.04 H new ATOM 0 HG SER A 84 -9.987 2.210 -2.678 1.00 4.41 H new ATOM 345 N LEU A 85 -14.334 0.846 -2.938 1.00 4.01 N ATOM 346 CA LEU A 85 -15.793 0.750 -2.894 1.00 3.84 C ATOM 347 C LEU A 85 -16.208 -0.713 -2.789 1.00 3.28 C ATOM 348 O LEU A 85 -17.112 -1.067 -2.032 1.00 2.78 O ATOM 349 CB LEU A 85 -16.405 1.405 -4.143 1.00 4.96 C ATOM 350 CG LEU A 85 -17.930 1.620 -4.131 1.00 5.14 C ATOM 351 CD1 LEU A 85 -18.658 0.408 -4.696 1.00 4.60 C ATOM 352 CD2 LEU A 85 -18.427 1.929 -2.725 1.00 5.12 C ATOM 0 H LEU A 85 -13.969 1.290 -3.781 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.164 1.281 -2.017 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -15.926 2.373 -4.290 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.154 0.791 -5.008 1.00 4.96 H new ATOM 0 HG LEU A 85 -18.147 2.477 -4.768 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -19.733 0.587 -4.676 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -18.338 0.238 -5.724 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -18.425 -0.470 -4.093 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -19.507 2.076 -2.745 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -18.187 1.097 -2.063 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -17.944 2.835 -2.359 1.00 5.12 H new ATOM 364 N ARG A 86 -15.516 -1.562 -3.538 1.00 3.88 N ATOM 365 CA ARG A 86 -15.792 -2.991 -3.528 1.00 4.19 C ATOM 366 C ARG A 86 -15.490 -3.570 -2.150 1.00 3.70 C ATOM 367 O ARG A 86 -16.178 -4.475 -1.672 1.00 3.99 O ATOM 368 CB ARG A 86 -14.957 -3.691 -4.602 1.00 5.40 C ATOM 369 CG ARG A 86 -15.293 -3.237 -6.015 1.00 6.27 C ATOM 370 CD ARG A 86 -14.344 -3.836 -7.039 1.00 7.50 C ATOM 371 NE ARG A 86 -14.365 -5.298 -7.018 1.00 8.08 N ATOM 372 CZ ARG A 86 -13.446 -6.065 -7.605 1.00 9.13 C ATOM 373 NH1 ARG A 86 -12.448 -5.510 -8.287 1.00 9.71 N ATOM 374 NH2 ARG A 86 -13.533 -7.385 -7.517 1.00 9.73 N ATOM 0 H ARG A 86 -14.758 -1.284 -4.161 1.00 3.88 H new ATOM 0 HA ARG A 86 -16.847 -3.154 -3.748 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -13.900 -3.505 -4.410 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.110 -4.768 -4.527 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -16.316 -3.524 -6.256 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -15.246 -2.149 -6.068 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -14.616 -3.484 -8.034 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -13.331 -3.485 -6.843 1.00 7.50 H new ATOM 0 HE ARG A 86 -15.129 -5.759 -6.524 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -12.384 -4.495 -8.362 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -11.746 -6.100 -8.735 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -14.302 -7.812 -7.001 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -12.831 -7.973 -7.965 1.00 9.73 H new ATOM 388 N ALA A 87 -14.466 -3.022 -1.508 1.00 3.29 N ATOM 389 CA ALA A 87 -14.071 -3.455 -0.177 1.00 3.24 C ATOM 390 C ALA A 87 -15.075 -2.951 0.855 1.00 2.92 C ATOM 391 O ALA A 87 -15.395 -3.648 1.819 1.00 3.77 O ATOM 392 CB ALA A 87 -12.669 -2.957 0.143 1.00 2.94 C ATOM 0 H ALA A 87 -13.892 -2.272 -1.892 1.00 3.29 H new ATOM 0 HA ALA A 87 -14.061 -4.544 -0.145 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -12.385 -3.288 1.142 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -11.965 -3.358 -0.586 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -12.652 -1.868 0.103 1.00 2.94 H new ATOM 398 N LEU A 88 -15.574 -1.738 0.633 1.00 2.29 N ATOM 399 CA LEU A 88 -16.560 -1.127 1.518 1.00 2.80 C ATOM 400 C LEU A 88 -17.830 -1.967 1.540 1.00 3.31 C ATOM 401 O LEU A 88 -18.477 -2.108 2.577 1.00 4.23 O ATOM 402 CB LEU A 88 -16.892 0.297 1.053 1.00 2.96 C ATOM 403 CG LEU A 88 -16.252 1.435 1.859 1.00 3.67 C ATOM 404 CD1 LEU A 88 -16.644 1.345 3.324 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.741 1.418 1.712 1.00 3.12 C ATOM 0 H LEU A 88 -15.308 -1.155 -0.160 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.140 -1.080 2.523 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.585 0.399 0.012 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -17.974 0.424 1.080 1.00 2.96 H new ATOM 0 HG LEU A 88 -16.624 2.379 1.461 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -16.179 2.162 3.876 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -17.728 1.416 3.416 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -16.307 0.392 3.733 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -14.310 2.234 2.292 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.351 0.468 2.076 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -14.476 1.540 0.662 1.00 3.12 H new ATOM 417 N GLN A 89 -18.174 -2.519 0.383 1.00 2.99 N ATOM 418 CA GLN A 89 -19.350 -3.368 0.251 1.00 3.54 C ATOM 419 C GLN A 89 -19.167 -4.647 1.063 1.00 4.52 C ATOM 420 O GLN A 89 -20.093 -5.118 1.725 1.00 5.29 O ATOM 421 CB GLN A 89 -19.591 -3.707 -1.226 1.00 3.40 C ATOM 422 CG GLN A 89 -20.614 -4.813 -1.460 1.00 3.28 C ATOM 423 CD GLN A 89 -19.994 -6.068 -2.049 1.00 3.90 C ATOM 424 OE1 GLN A 89 -19.571 -6.970 -1.324 1.00 4.41 O ATOM 425 NE2 GLN A 89 -19.944 -6.139 -3.369 1.00 4.33 N ATOM 0 H GLN A 89 -17.650 -2.392 -0.483 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.218 -2.831 0.634 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -19.923 -2.807 -1.743 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -18.644 -4.003 -1.677 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -21.098 -5.061 -0.515 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -21.392 -4.447 -2.131 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -20.305 -5.371 -3.935 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -19.545 -6.962 -3.821 1.00 4.33 H new ATOM 434 N ALA A 90 -17.956 -5.185 1.024 1.00 4.72 N ATOM 435 CA ALA A 90 -17.631 -6.408 1.743 1.00 5.90 C ATOM 436 C ALA A 90 -17.663 -6.192 3.251 1.00 6.49 C ATOM 437 O ALA A 90 -18.089 -7.068 4.002 1.00 7.58 O ATOM 438 CB ALA A 90 -16.265 -6.912 1.315 1.00 6.16 C ATOM 0 H ALA A 90 -17.177 -4.790 0.497 1.00 4.72 H new ATOM 0 HA ALA A 90 -18.385 -7.156 1.497 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -16.029 -7.827 1.857 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -16.271 -7.116 0.244 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -15.512 -6.155 1.536 1.00 6.16 H new ATOM 444 N THR A 91 -17.224 -5.022 3.689 1.00 5.96 N ATOM 445 CA THR A 91 -17.188 -4.710 5.110 1.00 6.79 C ATOM 446 C THR A 91 -18.544 -4.230 5.614 1.00 7.26 C ATOM 447 O THR A 91 -18.829 -4.274 6.809 1.00 8.28 O ATOM 448 CB THR A 91 -16.114 -3.648 5.414 1.00 6.34 C ATOM 449 OG1 THR A 91 -16.409 -2.422 4.727 1.00 5.23 O ATOM 450 CG2 THR A 91 -14.743 -4.149 4.988 1.00 6.30 C ATOM 0 H THR A 91 -16.888 -4.274 3.082 1.00 5.96 H new ATOM 0 HA THR A 91 -16.934 -5.632 5.633 1.00 6.79 H new ATOM 0 HB THR A 91 -16.113 -3.463 6.488 1.00 6.34 H new ATOM 0 HG1 THR A 91 -17.142 -2.570 4.093 1.00 5.23 H new ATOM 0 HG21 THR A 91 -13.993 -3.389 5.208 1.00 6.30 H new ATOM 0 HG22 THR A 91 -14.504 -5.063 5.532 1.00 6.30 H new ATOM 0 HG23 THR A 91 -14.747 -4.355 3.918 1.00 6.30 H new ATOM 458 N GLY A 92 -19.378 -3.773 4.695 1.00 6.62 N ATOM 459 CA GLY A 92 -20.693 -3.294 5.061 1.00 7.16 C ATOM 460 C GLY A 92 -20.681 -1.825 5.423 1.00 7.11 C ATOM 461 O GLY A 92 -21.714 -1.252 5.768 1.00 7.79 O ATOM 0 H GLY A 92 -19.167 -3.725 3.698 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -21.382 -3.457 4.232 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -21.067 -3.872 5.906 1.00 7.16 H new ATOM 465 N GLY A 93 -19.513 -1.208 5.337 1.00 6.52 N ATOM 466 CA GLY A 93 -19.402 0.199 5.664 1.00 6.76 C ATOM 467 C GLY A 93 -18.295 0.490 6.654 1.00 7.35 C ATOM 468 O GLY A 93 -18.460 1.314 7.554 1.00 8.35 O ATOM 0 H GLY A 93 -18.642 -1.654 5.048 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -19.223 0.766 4.750 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.350 0.547 6.075 1.00 6.76 H new ATOM 472 N ASP A 94 -17.166 -0.188 6.497 1.00 6.83 N ATOM 473 CA ASP A 94 -16.029 0.019 7.384 1.00 7.34 C ATOM 474 C ASP A 94 -14.782 0.358 6.575 1.00 6.34 C ATOM 475 O ASP A 94 -14.419 -0.368 5.649 1.00 5.39 O ATOM 476 CB ASP A 94 -15.776 -1.217 8.243 1.00 8.06 C ATOM 477 CG ASP A 94 -14.885 -0.913 9.429 1.00 8.93 C ATOM 478 OD1 ASP A 94 -13.647 -0.950 9.280 1.00 9.06 O ATOM 479 OD2 ASP A 94 -15.424 -0.637 10.522 1.00 9.60 O ATOM 0 H ASP A 94 -17.013 -0.883 5.767 1.00 6.83 H new ATOM 0 HA ASP A 94 -16.262 0.854 8.044 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -16.728 -1.613 8.597 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -15.315 -1.994 7.633 1.00 8.06 H new ATOM 484 N ILE A 95 -14.140 1.464 6.929 1.00 6.69 N ATOM 485 CA ILE A 95 -12.943 1.929 6.235 1.00 5.90 C ATOM 486 C ILE A 95 -11.713 1.091 6.588 1.00 5.73 C ATOM 487 O ILE A 95 -11.025 0.584 5.702 1.00 4.72 O ATOM 488 CB ILE A 95 -12.665 3.416 6.559 1.00 6.68 C ATOM 489 CG1 ILE A 95 -13.749 4.308 5.944 1.00 7.07 C ATOM 490 CG2 ILE A 95 -11.285 3.840 6.067 1.00 6.13 C ATOM 491 CD1 ILE A 95 -13.858 4.185 4.439 1.00 6.13 C ATOM 0 H ILE A 95 -14.432 2.063 7.702 1.00 6.69 H new ATOM 0 HA ILE A 95 -13.134 1.819 5.168 1.00 5.90 H new ATOM 0 HB ILE A 95 -12.686 3.533 7.642 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -14.711 4.056 6.391 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -13.541 5.347 6.200 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -11.119 4.890 6.309 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -10.523 3.231 6.552 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -11.226 3.703 4.987 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -14.646 4.845 4.076 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -12.909 4.466 3.981 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -14.098 3.155 4.175 1.00 6.13 H new ATOM 503 N GLN A 96 -11.451 0.942 7.877 1.00 6.84 N ATOM 504 CA GLN A 96 -10.299 0.181 8.351 1.00 7.04 C ATOM 505 C GLN A 96 -10.318 -1.248 7.816 1.00 6.72 C ATOM 506 O GLN A 96 -9.299 -1.758 7.339 1.00 6.21 O ATOM 507 CB GLN A 96 -10.274 0.171 9.878 1.00 8.47 C ATOM 508 CG GLN A 96 -9.141 -0.648 10.467 1.00 8.96 C ATOM 509 CD GLN A 96 -9.193 -0.694 11.978 1.00 9.42 C ATOM 510 OE1 GLN A 96 -8.577 0.126 12.657 1.00 9.63 O ATOM 511 NE2 GLN A 96 -9.934 -1.645 12.515 1.00 9.81 N ATOM 0 H GLN A 96 -12.024 1.340 8.621 1.00 6.84 H new ATOM 0 HA GLN A 96 -9.397 0.666 7.978 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -10.193 1.197 10.237 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -11.222 -0.221 10.245 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -9.186 -1.663 10.073 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -8.187 -0.225 10.151 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -10.429 -2.305 11.916 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -10.012 -1.720 13.529 1.00 9.81 H new ATOM 520 N ALA A 97 -11.480 -1.884 7.888 1.00 7.19 N ATOM 521 CA ALA A 97 -11.631 -3.251 7.414 1.00 7.30 C ATOM 522 C ALA A 97 -11.526 -3.321 5.896 1.00 6.10 C ATOM 523 O ALA A 97 -11.135 -4.349 5.340 1.00 6.26 O ATOM 524 CB ALA A 97 -12.953 -3.832 7.886 1.00 8.11 C ATOM 0 H ALA A 97 -12.332 -1.474 8.271 1.00 7.19 H new ATOM 0 HA ALA A 97 -10.819 -3.846 7.833 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -13.051 -4.855 7.523 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -12.983 -3.829 8.976 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -13.774 -3.229 7.498 1.00 8.11 H new ATOM 530 N ALA A 98 -11.872 -2.223 5.227 1.00 5.11 N ATOM 531 CA ALA A 98 -11.808 -2.164 3.771 1.00 3.96 C ATOM 532 C ALA A 98 -10.364 -2.262 3.307 1.00 3.50 C ATOM 533 O ALA A 98 -10.069 -2.907 2.303 1.00 3.58 O ATOM 534 CB ALA A 98 -12.446 -0.886 3.251 1.00 3.13 C ATOM 0 H ALA A 98 -12.199 -1.364 5.670 1.00 5.11 H new ATOM 0 HA ALA A 98 -12.367 -3.009 3.368 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -12.386 -0.866 2.163 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -13.492 -0.851 3.557 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -11.919 -0.024 3.660 1.00 3.13 H new ATOM 540 N LEU A 99 -9.465 -1.629 4.053 1.00 3.43 N ATOM 541 CA LEU A 99 -8.046 -1.663 3.730 1.00 3.02 C ATOM 542 C LEU A 99 -7.538 -3.101 3.782 1.00 3.99 C ATOM 543 O LEU A 99 -6.675 -3.500 2.998 1.00 3.99 O ATOM 544 CB LEU A 99 -7.247 -0.780 4.700 1.00 3.22 C ATOM 545 CG LEU A 99 -6.975 0.654 4.225 1.00 2.80 C ATOM 546 CD1 LEU A 99 -6.186 0.652 2.927 1.00 3.12 C ATOM 547 CD2 LEU A 99 -8.275 1.427 4.055 1.00 2.72 C ATOM 0 H LEU A 99 -9.695 -1.086 4.885 1.00 3.43 H new ATOM 0 HA LEU A 99 -7.908 -1.272 2.722 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -7.785 -0.734 5.647 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -6.291 -1.264 4.900 1.00 3.22 H new ATOM 0 HG LEU A 99 -6.379 1.152 4.990 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -6.005 1.679 2.610 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -5.233 0.147 3.081 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -6.753 0.129 2.157 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -8.055 2.440 3.718 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -8.902 0.927 3.317 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -8.801 1.469 5.009 1.00 2.72 H new ATOM 559 N GLU A 100 -8.099 -3.882 4.698 1.00 5.11 N ATOM 560 CA GLU A 100 -7.719 -5.279 4.851 1.00 6.25 C ATOM 561 C GLU A 100 -8.260 -6.098 3.685 1.00 6.58 C ATOM 562 O GLU A 100 -7.622 -7.047 3.228 1.00 7.26 O ATOM 563 CB GLU A 100 -8.250 -5.839 6.171 1.00 7.44 C ATOM 564 CG GLU A 100 -8.022 -4.924 7.363 1.00 7.73 C ATOM 565 CD GLU A 100 -8.519 -5.528 8.659 1.00 8.52 C ATOM 566 OE1 GLU A 100 -9.747 -5.713 8.807 1.00 8.97 O ATOM 567 OE2 GLU A 100 -7.685 -5.820 9.543 1.00 8.88 O ATOM 0 H GLU A 100 -8.821 -3.569 5.347 1.00 5.11 H new ATOM 0 HA GLU A 100 -6.631 -5.342 4.859 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -9.319 -6.029 6.070 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -7.772 -6.799 6.366 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -6.958 -4.706 7.452 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -8.528 -3.974 7.190 1.00 7.73 H new ATOM 574 N LEU A 101 -9.435 -5.712 3.198 1.00 6.27 N ATOM 575 CA LEU A 101 -10.069 -6.401 2.079 1.00 6.77 C ATOM 576 C LEU A 101 -9.247 -6.223 0.810 1.00 6.45 C ATOM 577 O LEU A 101 -9.229 -7.094 -0.062 1.00 7.40 O ATOM 578 CB LEU A 101 -11.490 -5.878 1.862 1.00 6.50 C ATOM 579 CG LEU A 101 -12.616 -6.798 2.342 1.00 7.42 C ATOM 580 CD1 LEU A 101 -12.597 -8.116 1.583 1.00 8.33 C ATOM 581 CD2 LEU A 101 -12.511 -7.045 3.839 1.00 8.03 C ATOM 0 H LEU A 101 -9.969 -4.923 3.562 1.00 6.27 H new ATOM 0 HA LEU A 101 -10.121 -7.463 2.317 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -11.587 -4.919 2.372 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -11.629 -5.688 0.798 1.00 6.50 H new ATOM 0 HG LEU A 101 -13.565 -6.301 2.142 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -13.406 -8.754 1.941 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -12.730 -7.925 0.518 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -11.642 -8.616 1.745 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -13.321 -7.701 4.157 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -11.554 -7.515 4.064 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -12.583 -6.096 4.370 1.00 8.03 H new ATOM 593 N ILE A 102 -8.563 -5.089 0.712 1.00 5.30 N ATOM 594 CA ILE A 102 -7.720 -4.808 -0.444 1.00 5.26 C ATOM 595 C ILE A 102 -6.518 -5.747 -0.446 1.00 5.93 C ATOM 596 O ILE A 102 -5.991 -6.109 -1.499 1.00 6.78 O ATOM 597 CB ILE A 102 -7.243 -3.337 -0.460 1.00 4.06 C ATOM 598 CG1 ILE A 102 -8.451 -2.392 -0.433 1.00 3.48 C ATOM 599 CG2 ILE A 102 -6.378 -3.061 -1.686 1.00 4.62 C ATOM 600 CD1 ILE A 102 -8.080 -0.928 -0.324 1.00 2.57 C ATOM 0 H ILE A 102 -8.575 -4.351 1.416 1.00 5.30 H new ATOM 0 HA ILE A 102 -8.316 -4.972 -1.342 1.00 5.26 H new ATOM 0 HB ILE A 102 -6.637 -3.160 0.429 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -9.038 -2.542 -1.339 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -9.090 -2.659 0.409 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -6.054 -2.020 -1.676 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -5.505 -3.713 -1.669 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -6.956 -3.252 -2.590 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -8.987 -0.323 -0.311 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -7.520 -0.762 0.596 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -7.466 -0.644 -1.179 1.00 2.57 H new ATOM 612 N PHE A 103 -6.116 -6.166 0.750 1.00 5.72 N ATOM 613 CA PHE A 103 -4.995 -7.084 0.914 1.00 6.33 C ATOM 614 C PHE A 103 -5.407 -8.481 0.449 1.00 7.75 C ATOM 615 O PHE A 103 -4.568 -9.336 0.164 1.00 8.49 O ATOM 616 CB PHE A 103 -4.557 -7.116 2.383 1.00 5.96 C ATOM 617 CG PHE A 103 -3.105 -7.454 2.593 1.00 6.06 C ATOM 618 CD1 PHE A 103 -2.140 -6.460 2.565 1.00 6.20 C ATOM 619 CD2 PHE A 103 -2.706 -8.761 2.828 1.00 6.17 C ATOM 620 CE1 PHE A 103 -0.807 -6.762 2.768 1.00 6.41 C ATOM 621 CE2 PHE A 103 -1.373 -9.067 3.030 1.00 6.39 C ATOM 622 CZ PHE A 103 -0.424 -8.066 2.999 1.00 6.50 C ATOM 0 H PHE A 103 -6.554 -5.881 1.626 1.00 5.72 H new ATOM 0 HA PHE A 103 -4.155 -6.743 0.309 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -4.759 -6.143 2.831 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -5.168 -7.845 2.916 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -2.433 -5.437 2.382 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -3.445 -9.549 2.854 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -0.066 -5.977 2.746 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -1.075 -10.089 3.212 1.00 6.39 H new ATOM 0 HZ PHE A 103 0.618 -8.304 3.156 1.00 6.50 H new ATOM 632 N ALA A 104 -6.713 -8.706 0.388 1.00 8.21 N ATOM 633 CA ALA A 104 -7.254 -9.979 -0.056 1.00 9.59 C ATOM 634 C ALA A 104 -7.517 -9.940 -1.556 1.00 10.06 C ATOM 635 O ALA A 104 -7.427 -10.957 -2.244 1.00 10.71 O ATOM 636 CB ALA A 104 -8.530 -10.306 0.704 1.00 10.13 C ATOM 0 H ALA A 104 -7.420 -8.016 0.643 1.00 8.21 H new ATOM 0 HA ALA A 104 -6.525 -10.763 0.149 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -8.923 -11.263 0.360 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -8.313 -10.365 1.771 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -9.269 -9.525 0.527 1.00 10.13 H new ATOM 642 N GLY A 105 -7.841 -8.754 -2.052 1.00 9.88 N ATOM 643 CA GLY A 105 -8.104 -8.577 -3.467 1.00 10.43 C ATOM 644 C GLY A 105 -9.363 -9.287 -3.916 1.00 10.44 C ATOM 645 O GLY A 105 -9.345 -10.047 -4.890 1.00 11.29 O ATOM 0 H GLY A 105 -7.927 -7.904 -1.495 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -8.193 -7.513 -3.686 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -7.256 -8.951 -4.040 1.00 10.43 H new ATOM 649 N GLY A 106 -10.453 -9.057 -3.202 1.00 9.61 N ATOM 650 CA GLY A 106 -11.711 -9.680 -3.550 1.00 9.65 C ATOM 651 C GLY A 106 -12.706 -9.618 -2.414 1.00 9.16 C ATOM 652 O GLY A 106 -12.330 -9.749 -1.249 1.00 8.46 O ATOM 0 H GLY A 106 -10.489 -8.448 -2.385 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -12.130 -9.186 -4.427 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -11.537 -10.721 -3.823 1.00 9.65 H new ATOM 656 N ALA A 107 -13.970 -9.407 -2.752 1.00 9.69 N ATOM 657 CA ALA A 107 -15.027 -9.322 -1.759 1.00 9.44 C ATOM 658 C ALA A 107 -15.737 -10.664 -1.615 1.00 10.28 C ATOM 659 O ALA A 107 -16.090 -11.296 -2.616 1.00 11.13 O ATOM 660 CB ALA A 107 -16.022 -8.235 -2.141 1.00 9.49 C ATOM 0 H ALA A 107 -14.288 -9.291 -3.714 1.00 9.69 H new ATOM 0 HA ALA A 107 -14.579 -9.065 -0.799 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -16.809 -8.182 -1.389 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -15.508 -7.275 -2.198 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -16.462 -8.469 -3.110 1.00 9.49 H new ATOM 666 N PRO A 108 -15.939 -11.123 -0.370 1.00 10.24 N ATOM 667 CA PRO A 108 -16.616 -12.392 -0.093 1.00 11.19 C ATOM 668 C PRO A 108 -18.094 -12.342 -0.464 1.00 11.68 C ATOM 669 O PRO A 108 -18.830 -11.502 0.099 1.00 12.15 O ATOM 670 CB PRO A 108 -16.443 -12.569 1.419 1.00 11.08 C ATOM 671 CG PRO A 108 -16.241 -11.192 1.947 1.00 10.16 C ATOM 672 CD PRO A 108 -15.511 -10.445 0.867 1.00 9.48 C ATOM 673 OXT PRO A 108 -18.520 -13.144 -1.316 1.00 11.71 O ATOM 0 HA PRO A 108 -16.202 -13.215 -0.675 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -17.320 -13.038 1.865 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -15.590 -13.208 1.647 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -17.195 -10.717 2.176 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -15.663 -11.208 2.871 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -15.778 -9.388 0.859 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -14.431 -10.499 1.001 1.00 9.48 H new TER 681 PRO A 108 ATOM 682 N MET B 1 19.998 4.620 2.036 1.00 3.94 N ATOM 683 CA MET B 1 19.266 4.974 3.273 1.00 3.71 C ATOM 684 C MET B 1 18.456 3.784 3.766 1.00 3.30 C ATOM 685 O MET B 1 18.034 2.937 2.975 1.00 3.21 O ATOM 686 CB MET B 1 18.348 6.180 3.041 1.00 3.98 C ATOM 687 CG MET B 1 17.226 5.919 2.052 1.00 3.93 C ATOM 688 SD MET B 1 16.176 7.362 1.805 1.00 4.45 S ATOM 689 CE MET B 1 14.982 6.714 0.639 1.00 4.38 C ATOM 0 H1 MET B 1 20.174 5.480 1.478 1.00 3.94 H new ATOM 0 H2 MET B 1 20.906 4.177 2.284 1.00 3.94 H new ATOM 0 H3 MET B 1 19.430 3.954 1.475 1.00 3.94 H new ATOM 0 HA MET B 1 19.997 5.244 4.035 1.00 3.71 H new ATOM 0 HB2 MET B 1 17.915 6.483 3.994 1.00 3.98 H new ATOM 0 HB3 MET B 1 18.948 7.017 2.683 1.00 3.98 H new ATOM 0 HG2 MET B 1 17.652 5.615 1.096 1.00 3.93 H new ATOM 0 HG3 MET B 1 16.618 5.088 2.408 1.00 3.93 H new ATOM 0 HE1 MET B 1 14.784 7.460 -0.131 1.00 4.38 H new ATOM 0 HE2 MET B 1 15.379 5.811 0.176 1.00 4.38 H new ATOM 0 HE3 MET B 1 14.055 6.477 1.161 1.00 4.38 H new ATOM 701 N GLN B 2 18.244 3.723 5.070 1.00 3.23 N ATOM 702 CA GLN B 2 17.497 2.630 5.671 1.00 3.03 C ATOM 703 C GLN B 2 16.006 2.950 5.759 1.00 2.89 C ATOM 704 O GLN B 2 15.594 3.872 6.469 1.00 3.18 O ATOM 705 CB GLN B 2 18.063 2.321 7.060 1.00 3.32 C ATOM 706 CG GLN B 2 17.244 1.313 7.854 1.00 3.40 C ATOM 707 CD GLN B 2 17.974 0.812 9.084 1.00 3.92 C ATOM 708 OE1 GLN B 2 18.633 -0.229 9.049 1.00 4.23 O ATOM 709 NE2 GLN B 2 17.873 1.553 10.176 1.00 4.19 N ATOM 0 H GLN B 2 18.580 4.420 5.735 1.00 3.23 H new ATOM 0 HA GLN B 2 17.604 1.752 5.034 1.00 3.03 H new ATOM 0 HB2 GLN B 2 19.079 1.942 6.951 1.00 3.32 H new ATOM 0 HB3 GLN B 2 18.128 3.249 7.629 1.00 3.32 H new ATOM 0 HG2 GLN B 2 16.303 1.772 8.156 1.00 3.40 H new ATOM 0 HG3 GLN B 2 16.995 0.467 7.213 1.00 3.40 H new ATOM 0 HE21 GLN B 2 17.317 2.408 10.162 1.00 4.19 H new ATOM 0 HE22 GLN B 2 18.351 1.269 11.031 1.00 4.19 H new ATOM 718 N ILE B 3 15.205 2.190 5.021 1.00 2.59 N ATOM 719 CA ILE B 3 13.757 2.358 5.025 1.00 2.46 C ATOM 720 C ILE B 3 13.095 1.056 5.451 1.00 2.37 C ATOM 721 O ILE B 3 13.715 -0.009 5.380 1.00 2.51 O ATOM 722 CB ILE B 3 13.202 2.777 3.646 1.00 2.36 C ATOM 723 CG1 ILE B 3 13.531 1.721 2.584 1.00 2.27 C ATOM 724 CG2 ILE B 3 13.756 4.135 3.239 1.00 2.82 C ATOM 725 CD1 ILE B 3 12.593 1.748 1.396 1.00 2.38 C ATOM 0 H ILE B 3 15.538 1.446 4.408 1.00 2.59 H new ATOM 0 HA ILE B 3 13.530 3.158 5.729 1.00 2.46 H new ATOM 0 HB ILE B 3 12.118 2.855 3.724 1.00 2.36 H new ATOM 0 HG12 ILE B 3 14.552 1.874 2.234 1.00 2.27 H new ATOM 0 HG13 ILE B 3 13.496 0.733 3.042 1.00 2.27 H new ATOM 0 HG21 ILE B 3 13.355 4.415 2.265 1.00 2.82 H new ATOM 0 HG22 ILE B 3 13.468 4.882 3.978 1.00 2.82 H new ATOM 0 HG23 ILE B 3 14.843 4.082 3.182 1.00 2.82 H new ATOM 0 HD11 ILE B 3 12.884 0.975 0.685 1.00 2.38 H new ATOM 0 HD12 ILE B 3 11.573 1.565 1.734 1.00 2.38 H new ATOM 0 HD13 ILE B 3 12.645 2.724 0.913 1.00 2.38 H new ATOM 737 N PHE B 4 11.848 1.135 5.889 1.00 2.37 N ATOM 738 CA PHE B 4 11.127 -0.047 6.333 1.00 2.50 C ATOM 739 C PHE B 4 9.810 -0.198 5.585 1.00 2.11 C ATOM 740 O PHE B 4 9.011 0.737 5.510 1.00 1.98 O ATOM 741 CB PHE B 4 10.865 0.026 7.841 1.00 3.07 C ATOM 742 CG PHE B 4 12.118 0.104 8.669 1.00 3.52 C ATOM 743 CD1 PHE B 4 12.815 -1.045 9.003 1.00 3.82 C ATOM 744 CD2 PHE B 4 12.593 1.327 9.117 1.00 3.79 C ATOM 745 CE1 PHE B 4 13.966 -0.978 9.764 1.00 4.25 C ATOM 746 CE2 PHE B 4 13.743 1.402 9.879 1.00 4.21 C ATOM 747 CZ PHE B 4 14.429 0.247 10.204 1.00 4.39 C ATOM 0 H PHE B 4 11.316 2.003 5.946 1.00 2.37 H new ATOM 0 HA PHE B 4 11.746 -0.919 6.119 1.00 2.50 H new ATOM 0 HB2 PHE B 4 10.246 0.898 8.052 1.00 3.07 H new ATOM 0 HB3 PHE B 4 10.294 -0.851 8.144 1.00 3.07 H new ATOM 0 HD1 PHE B 4 12.454 -2.005 8.664 1.00 3.82 H new ATOM 0 HD2 PHE B 4 12.058 2.231 8.867 1.00 3.79 H new ATOM 0 HE1 PHE B 4 14.503 -1.881 10.014 1.00 4.25 H new ATOM 0 HE2 PHE B 4 14.105 2.361 10.220 1.00 4.21 H new ATOM 0 HZ PHE B 4 15.327 0.302 10.802 1.00 4.39 H new ATOM 757 N VAL B 5 9.601 -1.373 5.018 1.00 2.12 N ATOM 758 CA VAL B 5 8.379 -1.669 4.289 1.00 1.86 C ATOM 759 C VAL B 5 7.520 -2.601 5.132 1.00 2.31 C ATOM 760 O VAL B 5 7.918 -3.729 5.422 1.00 2.88 O ATOM 761 CB VAL B 5 8.671 -2.323 2.921 1.00 1.97 C ATOM 762 CG1 VAL B 5 7.412 -2.376 2.073 1.00 1.84 C ATOM 763 CG2 VAL B 5 9.781 -1.581 2.189 1.00 1.92 C ATOM 0 H VAL B 5 10.268 -2.144 5.049 1.00 2.12 H new ATOM 0 HA VAL B 5 7.855 -0.732 4.098 1.00 1.86 H new ATOM 0 HB VAL B 5 9.008 -3.344 3.100 1.00 1.97 H new ATOM 0 HG11 VAL B 5 7.639 -2.840 1.113 1.00 1.84 H new ATOM 0 HG12 VAL B 5 6.651 -2.962 2.588 1.00 1.84 H new ATOM 0 HG13 VAL B 5 7.042 -1.364 1.908 1.00 1.84 H new ATOM 0 HG21 VAL B 5 9.968 -2.061 1.228 1.00 1.92 H new ATOM 0 HG22 VAL B 5 9.480 -0.546 2.025 1.00 1.92 H new ATOM 0 HG23 VAL B 5 10.691 -1.604 2.789 1.00 1.92 H new ATOM 773 N LYS B 6 6.354 -2.125 5.535 1.00 2.22 N ATOM 774 CA LYS B 6 5.471 -2.908 6.380 1.00 2.75 C ATOM 775 C LYS B 6 4.127 -3.150 5.709 1.00 2.53 C ATOM 776 O LYS B 6 3.470 -2.217 5.245 1.00 2.01 O ATOM 777 CB LYS B 6 5.270 -2.193 7.715 1.00 3.10 C ATOM 778 CG LYS B 6 4.492 -3.000 8.742 1.00 3.77 C ATOM 779 CD LYS B 6 4.316 -2.211 10.028 1.00 4.23 C ATOM 780 CE LYS B 6 3.559 -2.997 11.081 1.00 4.92 C ATOM 781 NZ LYS B 6 3.442 -2.237 12.354 1.00 5.45 N ATOM 0 H LYS B 6 5.998 -1.201 5.291 1.00 2.22 H new ATOM 0 HA LYS B 6 5.936 -3.879 6.551 1.00 2.75 H new ATOM 0 HB2 LYS B 6 6.246 -1.941 8.130 1.00 3.10 H new ATOM 0 HB3 LYS B 6 4.748 -1.253 7.536 1.00 3.10 H new ATOM 0 HG2 LYS B 6 3.516 -3.267 8.337 1.00 3.77 H new ATOM 0 HG3 LYS B 6 5.016 -3.933 8.951 1.00 3.77 H new ATOM 0 HD2 LYS B 6 5.295 -1.932 10.418 1.00 4.23 H new ATOM 0 HD3 LYS B 6 3.782 -1.285 9.814 1.00 4.23 H new ATOM 0 HE2 LYS B 6 2.564 -3.240 10.709 1.00 4.92 H new ATOM 0 HE3 LYS B 6 4.069 -3.942 11.267 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 2.919 -2.805 13.051 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 4.392 -2.027 12.722 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 2.933 -1.347 12.181 1.00 5.45 H new ATOM 795 N THR B 7 3.725 -4.408 5.661 1.00 3.04 N ATOM 796 CA THR B 7 2.458 -4.786 5.070 1.00 3.03 C ATOM 797 C THR B 7 1.351 -4.692 6.117 1.00 3.25 C ATOM 798 O THR B 7 1.631 -4.525 7.307 1.00 3.60 O ATOM 799 CB THR B 7 2.512 -6.221 4.513 1.00 3.68 C ATOM 800 OG1 THR B 7 2.800 -7.146 5.566 1.00 4.31 O ATOM 801 CG2 THR B 7 3.573 -6.347 3.430 1.00 3.69 C ATOM 0 H THR B 7 4.266 -5.191 6.029 1.00 3.04 H new ATOM 0 HA THR B 7 2.250 -4.102 4.247 1.00 3.03 H new ATOM 0 HB THR B 7 1.539 -6.449 4.078 1.00 3.68 H new ATOM 0 HG1 THR B 7 2.064 -7.787 5.649 1.00 4.31 H new ATOM 0 HG21 THR B 7 3.590 -7.370 3.054 1.00 3.69 H new ATOM 0 HG22 THR B 7 3.342 -5.664 2.613 1.00 3.69 H new ATOM 0 HG23 THR B 7 4.549 -6.097 3.846 1.00 3.69 H new ATOM 809 N LEU B 8 0.102 -4.811 5.685 1.00 3.25 N ATOM 810 CA LEU B 8 -1.033 -4.741 6.601 1.00 3.52 C ATOM 811 C LEU B 8 -1.028 -5.932 7.560 1.00 4.35 C ATOM 812 O LEU B 8 -1.605 -5.873 8.647 1.00 4.72 O ATOM 813 CB LEU B 8 -2.347 -4.696 5.816 1.00 3.31 C ATOM 814 CG LEU B 8 -3.453 -3.837 6.437 1.00 2.62 C ATOM 815 CD1 LEU B 8 -4.336 -3.246 5.352 1.00 2.63 C ATOM 816 CD2 LEU B 8 -4.293 -4.654 7.406 1.00 2.72 C ATOM 0 H LEU B 8 -0.152 -4.956 4.708 1.00 3.25 H new ATOM 0 HA LEU B 8 -0.944 -3.827 7.189 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -2.139 -4.322 4.813 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -2.720 -5.714 5.705 1.00 3.31 H new ATOM 0 HG LEU B 8 -2.981 -3.025 6.990 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -5.117 -2.638 5.809 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -3.733 -2.624 4.691 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -4.793 -4.051 4.776 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -5.072 -4.023 7.834 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -4.753 -5.488 6.875 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -3.658 -5.038 8.204 1.00 2.72 H new ATOM 828 N THR B 9 -0.357 -7.002 7.161 1.00 4.73 N ATOM 829 CA THR B 9 -0.271 -8.205 7.976 1.00 5.55 C ATOM 830 C THR B 9 0.722 -8.029 9.124 1.00 5.75 C ATOM 831 O THR B 9 0.714 -8.791 10.091 1.00 6.45 O ATOM 832 CB THR B 9 0.144 -9.402 7.112 1.00 5.98 C ATOM 833 OG1 THR B 9 0.664 -8.926 5.864 1.00 5.57 O ATOM 834 CG2 THR B 9 -1.036 -10.326 6.856 1.00 6.63 C ATOM 0 H THR B 9 0.139 -7.062 6.272 1.00 4.73 H new ATOM 0 HA THR B 9 -1.257 -8.389 8.402 1.00 5.55 H new ATOM 0 HB THR B 9 0.909 -9.967 7.644 1.00 5.98 H new ATOM 0 HG1 THR B 9 -0.062 -8.865 5.209 1.00 5.57 H new ATOM 0 HG21 THR B 9 -0.714 -11.166 6.241 1.00 6.63 H new ATOM 0 HG22 THR B 9 -1.420 -10.698 7.806 1.00 6.63 H new ATOM 0 HG23 THR B 9 -1.822 -9.777 6.337 1.00 6.63 H new ATOM 842 N GLY B 10 1.571 -7.015 9.016 1.00 5.22 N ATOM 843 CA GLY B 10 2.551 -6.755 10.053 1.00 5.46 C ATOM 844 C GLY B 10 3.968 -7.047 9.602 1.00 5.45 C ATOM 845 O GLY B 10 4.926 -6.752 10.319 1.00 5.66 O ATOM 0 H GLY B 10 1.599 -6.368 8.228 1.00 5.22 H new ATOM 0 HA2 GLY B 10 2.480 -5.712 10.362 1.00 5.46 H new ATOM 0 HA3 GLY B 10 2.319 -7.363 10.927 1.00 5.46 H new ATOM 849 N LYS B 11 4.103 -7.616 8.413 1.00 5.32 N ATOM 850 CA LYS B 11 5.410 -7.948 7.862 1.00 5.39 C ATOM 851 C LYS B 11 6.220 -6.680 7.610 1.00 4.77 C ATOM 852 O LYS B 11 5.816 -5.824 6.827 1.00 4.21 O ATOM 853 CB LYS B 11 5.247 -8.758 6.569 1.00 5.58 C ATOM 854 CG LYS B 11 6.423 -8.650 5.608 1.00 5.83 C ATOM 855 CD LYS B 11 6.283 -9.617 4.444 1.00 6.11 C ATOM 856 CE LYS B 11 6.706 -11.025 4.832 1.00 6.82 C ATOM 857 NZ LYS B 11 8.182 -11.156 4.942 1.00 6.90 N ATOM 0 H LYS B 11 3.319 -7.859 7.808 1.00 5.32 H new ATOM 0 HA LYS B 11 5.952 -8.558 8.585 1.00 5.39 H new ATOM 0 HB2 LYS B 11 5.100 -9.807 6.827 1.00 5.58 H new ATOM 0 HB3 LYS B 11 4.344 -8.426 6.058 1.00 5.58 H new ATOM 0 HG2 LYS B 11 6.492 -7.630 5.229 1.00 5.83 H new ATOM 0 HG3 LYS B 11 7.351 -8.854 6.142 1.00 5.83 H new ATOM 0 HD2 LYS B 11 5.248 -9.629 4.102 1.00 6.11 H new ATOM 0 HD3 LYS B 11 6.891 -9.271 3.608 1.00 6.11 H new ATOM 0 HE2 LYS B 11 6.247 -11.291 5.784 1.00 6.82 H new ATOM 0 HE3 LYS B 11 6.334 -11.732 4.090 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 8.414 -11.928 5.599 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 8.583 -11.367 4.006 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 8.584 -10.265 5.298 1.00 6.90 H new ATOM 871 N THR B 12 7.343 -6.557 8.295 1.00 4.90 N ATOM 872 CA THR B 12 8.204 -5.397 8.151 1.00 4.39 C ATOM 873 C THR B 12 9.574 -5.808 7.625 1.00 4.49 C ATOM 874 O THR B 12 10.352 -6.455 8.329 1.00 5.01 O ATOM 875 CB THR B 12 8.369 -4.662 9.492 1.00 4.56 C ATOM 876 OG1 THR B 12 7.110 -4.622 10.180 1.00 4.81 O ATOM 877 CG2 THR B 12 8.886 -3.244 9.277 1.00 4.02 C ATOM 0 H THR B 12 7.682 -7.252 8.961 1.00 4.90 H new ATOM 0 HA THR B 12 7.732 -4.722 7.436 1.00 4.39 H new ATOM 0 HB THR B 12 9.098 -5.204 10.095 1.00 4.56 H new ATOM 0 HG1 THR B 12 7.219 -4.155 11.035 1.00 4.81 H new ATOM 0 HG21 THR B 12 8.994 -2.746 10.241 1.00 4.02 H new ATOM 0 HG22 THR B 12 9.854 -3.282 8.778 1.00 4.02 H new ATOM 0 HG23 THR B 12 8.180 -2.689 8.659 1.00 4.02 H new ATOM 885 N ILE B 13 9.861 -5.444 6.387 1.00 4.04 N ATOM 886 CA ILE B 13 11.134 -5.785 5.775 1.00 4.20 C ATOM 887 C ILE B 13 12.000 -4.546 5.578 1.00 3.72 C ATOM 888 O ILE B 13 11.489 -3.442 5.384 1.00 3.18 O ATOM 889 CB ILE B 13 10.943 -6.490 4.414 1.00 4.30 C ATOM 890 CG1 ILE B 13 10.238 -5.563 3.421 1.00 3.68 C ATOM 891 CG2 ILE B 13 10.158 -7.780 4.592 1.00 4.88 C ATOM 892 CD1 ILE B 13 10.396 -5.983 1.976 1.00 3.94 C ATOM 0 H ILE B 13 9.231 -4.913 5.786 1.00 4.04 H new ATOM 0 HA ILE B 13 11.635 -6.471 6.459 1.00 4.20 H new ATOM 0 HB ILE B 13 11.926 -6.736 4.012 1.00 4.30 H new ATOM 0 HG12 ILE B 13 9.176 -5.525 3.665 1.00 3.68 H new ATOM 0 HG13 ILE B 13 10.629 -4.553 3.541 1.00 3.68 H new ATOM 0 HG21 ILE B 13 10.031 -8.265 3.624 1.00 4.88 H new ATOM 0 HG22 ILE B 13 10.700 -8.446 5.264 1.00 4.88 H new ATOM 0 HG23 ILE B 13 9.179 -7.555 5.016 1.00 4.88 H new ATOM 0 HD11 ILE B 13 9.869 -5.278 1.333 1.00 3.94 H new ATOM 0 HD12 ILE B 13 11.454 -5.993 1.714 1.00 3.94 H new ATOM 0 HD13 ILE B 13 9.979 -6.981 1.839 1.00 3.94 H new ATOM 904 N THR B 14 13.306 -4.733 5.646 1.00 3.98 N ATOM 905 CA THR B 14 14.244 -3.641 5.459 1.00 3.64 C ATOM 906 C THR B 14 14.792 -3.679 4.037 1.00 3.52 C ATOM 907 O THR B 14 14.838 -4.743 3.413 1.00 3.96 O ATOM 908 CB THR B 14 15.407 -3.729 6.466 1.00 4.07 C ATOM 909 OG1 THR B 14 14.943 -4.304 7.696 1.00 4.66 O ATOM 910 CG2 THR B 14 15.998 -2.353 6.745 1.00 4.07 C ATOM 0 H THR B 14 13.743 -5.636 5.830 1.00 3.98 H new ATOM 0 HA THR B 14 13.717 -2.702 5.628 1.00 3.64 H new ATOM 0 HB THR B 14 16.183 -4.358 6.031 1.00 4.07 H new ATOM 0 HG1 THR B 14 15.686 -4.359 8.332 1.00 4.66 H new ATOM 0 HG21 THR B 14 16.816 -2.446 7.459 1.00 4.07 H new ATOM 0 HG22 THR B 14 16.374 -1.923 5.816 1.00 4.07 H new ATOM 0 HG23 THR B 14 15.227 -1.703 7.160 1.00 4.07 H new ATOM 918 N LEU B 15 15.187 -2.528 3.516 1.00 3.09 N ATOM 919 CA LEU B 15 15.720 -2.462 2.168 1.00 3.19 C ATOM 920 C LEU B 15 16.809 -1.405 2.061 1.00 3.10 C ATOM 921 O LEU B 15 16.710 -0.334 2.664 1.00 2.80 O ATOM 922 CB LEU B 15 14.599 -2.157 1.173 1.00 3.02 C ATOM 923 CG LEU B 15 14.867 -2.609 -0.261 1.00 3.52 C ATOM 924 CD1 LEU B 15 14.809 -4.126 -0.359 1.00 4.02 C ATOM 925 CD2 LEU B 15 13.866 -1.970 -1.208 1.00 3.47 C ATOM 0 H LEU B 15 15.148 -1.633 4.004 1.00 3.09 H new ATOM 0 HA LEU B 15 16.159 -3.431 1.930 1.00 3.19 H new ATOM 0 HB2 LEU B 15 13.683 -2.634 1.523 1.00 3.02 H new ATOM 0 HB3 LEU B 15 14.418 -1.082 1.171 1.00 3.02 H new ATOM 0 HG LEU B 15 15.868 -2.287 -0.549 1.00 3.52 H new ATOM 0 HD11 LEU B 15 15.002 -4.432 -1.387 1.00 4.02 H new ATOM 0 HD12 LEU B 15 15.563 -4.562 0.297 1.00 4.02 H new ATOM 0 HD13 LEU B 15 13.821 -4.473 -0.057 1.00 4.02 H new ATOM 0 HD21 LEU B 15 14.067 -2.300 -2.227 1.00 3.47 H new ATOM 0 HD22 LEU B 15 12.856 -2.266 -0.924 1.00 3.47 H new ATOM 0 HD23 LEU B 15 13.955 -0.885 -1.154 1.00 3.47 H new ATOM 937 N GLU B 16 17.852 -1.718 1.304 1.00 3.49 N ATOM 938 CA GLU B 16 18.956 -0.795 1.100 1.00 3.55 C ATOM 939 C GLU B 16 18.800 -0.084 -0.240 1.00 3.81 C ATOM 940 O GLU B 16 19.166 -0.621 -1.292 1.00 4.27 O ATOM 941 CB GLU B 16 20.296 -1.533 1.157 1.00 3.90 C ATOM 942 CG GLU B 16 20.513 -2.293 2.455 1.00 3.90 C ATOM 943 CD GLU B 16 21.585 -3.351 2.332 1.00 4.28 C ATOM 944 OE1 GLU B 16 21.254 -4.496 1.963 1.00 4.63 O ATOM 945 OE2 GLU B 16 22.769 -3.046 2.601 1.00 4.35 O ATOM 0 H GLU B 16 17.955 -2.610 0.819 1.00 3.49 H new ATOM 0 HA GLU B 16 18.941 -0.053 1.899 1.00 3.55 H new ATOM 0 HB2 GLU B 16 20.353 -2.231 0.322 1.00 3.90 H new ATOM 0 HB3 GLU B 16 21.104 -0.813 1.027 1.00 3.90 H new ATOM 0 HG2 GLU B 16 20.788 -1.591 3.242 1.00 3.90 H new ATOM 0 HG3 GLU B 16 19.577 -2.762 2.759 1.00 3.90 H new ATOM 952 N VAL B 17 18.216 1.102 -0.200 1.00 3.69 N ATOM 953 CA VAL B 17 18.003 1.895 -1.404 1.00 4.13 C ATOM 954 C VAL B 17 18.357 3.350 -1.152 1.00 4.32 C ATOM 955 O VAL B 17 18.452 3.784 -0.002 1.00 4.09 O ATOM 956 CB VAL B 17 16.541 1.817 -1.897 1.00 4.08 C ATOM 957 CG1 VAL B 17 16.280 0.502 -2.609 1.00 4.20 C ATOM 958 CG2 VAL B 17 15.570 2.005 -0.740 1.00 3.58 C ATOM 0 H VAL B 17 17.879 1.541 0.657 1.00 3.69 H new ATOM 0 HA VAL B 17 18.652 1.479 -2.174 1.00 4.13 H new ATOM 0 HB VAL B 17 16.382 2.626 -2.610 1.00 4.08 H new ATOM 0 HG11 VAL B 17 15.244 0.471 -2.947 1.00 4.20 H new ATOM 0 HG12 VAL B 17 16.945 0.415 -3.468 1.00 4.20 H new ATOM 0 HG13 VAL B 17 16.463 -0.325 -1.924 1.00 4.20 H new ATOM 0 HG21 VAL B 17 14.547 1.946 -1.111 1.00 3.58 H new ATOM 0 HG22 VAL B 17 15.733 1.223 0.002 1.00 3.58 H new ATOM 0 HG23 VAL B 17 15.735 2.980 -0.282 1.00 3.58 H new ATOM 968 N GLU B 18 18.558 4.098 -2.222 1.00 4.88 N ATOM 969 CA GLU B 18 18.896 5.506 -2.114 1.00 5.24 C ATOM 970 C GLU B 18 17.716 6.350 -2.585 1.00 5.46 C ATOM 971 O GLU B 18 16.867 5.862 -3.324 1.00 5.46 O ATOM 972 CB GLU B 18 20.140 5.813 -2.951 1.00 5.81 C ATOM 973 CG GLU B 18 21.340 4.944 -2.605 1.00 5.71 C ATOM 974 CD GLU B 18 21.844 5.172 -1.195 1.00 5.42 C ATOM 975 OE1 GLU B 18 22.279 6.300 -0.892 1.00 5.63 O ATOM 976 OE2 GLU B 18 21.821 4.221 -0.381 1.00 5.09 O ATOM 0 H GLU B 18 18.493 3.752 -3.179 1.00 4.88 H new ATOM 0 HA GLU B 18 19.113 5.747 -1.073 1.00 5.24 H new ATOM 0 HB2 GLU B 18 19.899 5.681 -4.006 1.00 5.81 H new ATOM 0 HB3 GLU B 18 20.410 6.860 -2.814 1.00 5.81 H new ATOM 0 HG2 GLU B 18 21.069 3.895 -2.724 1.00 5.71 H new ATOM 0 HG3 GLU B 18 22.145 5.147 -3.311 1.00 5.71 H new ATOM 983 N PRO B 19 17.628 7.618 -2.150 1.00 5.75 N ATOM 984 CA PRO B 19 16.534 8.516 -2.546 1.00 6.08 C ATOM 985 C PRO B 19 16.430 8.689 -4.061 1.00 6.61 C ATOM 986 O PRO B 19 15.358 8.992 -4.591 1.00 6.79 O ATOM 987 CB PRO B 19 16.900 9.849 -1.888 1.00 6.47 C ATOM 988 CG PRO B 19 17.801 9.487 -0.760 1.00 6.13 C ATOM 989 CD PRO B 19 18.565 8.275 -1.217 1.00 5.84 C ATOM 0 HA PRO B 19 15.566 8.122 -2.237 1.00 6.08 H new ATOM 0 HB2 PRO B 19 17.398 10.514 -2.594 1.00 6.47 H new ATOM 0 HB3 PRO B 19 16.012 10.370 -1.532 1.00 6.47 H new ATOM 0 HG2 PRO B 19 18.477 10.308 -0.521 1.00 6.13 H new ATOM 0 HG3 PRO B 19 17.230 9.271 0.143 1.00 6.13 H new ATOM 0 HD2 PRO B 19 19.498 8.549 -1.710 1.00 5.84 H new ATOM 0 HD3 PRO B 19 18.825 7.624 -0.382 1.00 5.84 H new ATOM 997 N SER B 20 17.549 8.491 -4.751 1.00 6.88 N ATOM 998 CA SER B 20 17.602 8.624 -6.201 1.00 7.46 C ATOM 999 C SER B 20 16.959 7.425 -6.901 1.00 7.30 C ATOM 1000 O SER B 20 16.674 7.476 -8.099 1.00 7.78 O ATOM 1001 CB SER B 20 19.057 8.773 -6.643 1.00 7.90 C ATOM 1002 OG SER B 20 19.931 8.146 -5.718 1.00 7.58 O ATOM 0 H SER B 20 18.439 8.235 -4.323 1.00 6.88 H new ATOM 0 HA SER B 20 17.036 9.511 -6.485 1.00 7.46 H new ATOM 0 HB2 SER B 20 19.189 8.332 -7.631 1.00 7.90 H new ATOM 0 HB3 SER B 20 19.309 9.830 -6.730 1.00 7.90 H new ATOM 0 HG SER B 20 20.857 8.251 -6.020 1.00 7.58 H new ATOM 1008 N ASP B 21 16.738 6.349 -6.154 1.00 6.67 N ATOM 1009 CA ASP B 21 16.126 5.152 -6.712 1.00 6.54 C ATOM 1010 C ASP B 21 14.626 5.350 -6.865 1.00 6.58 C ATOM 1011 O ASP B 21 13.958 5.853 -5.957 1.00 6.35 O ATOM 1012 CB ASP B 21 16.405 3.924 -5.836 1.00 5.90 C ATOM 1013 CG ASP B 21 17.804 3.372 -6.025 1.00 6.06 C ATOM 1014 OD1 ASP B 21 18.164 3.021 -7.172 1.00 6.52 O ATOM 1015 OD2 ASP B 21 18.552 3.275 -5.027 1.00 5.79 O ATOM 0 H ASP B 21 16.973 6.282 -5.164 1.00 6.67 H new ATOM 0 HA ASP B 21 16.567 4.977 -7.693 1.00 6.54 H new ATOM 0 HB2 ASP B 21 16.263 4.191 -4.789 1.00 5.90 H new ATOM 0 HB3 ASP B 21 15.678 3.146 -6.068 1.00 5.90 H new ATOM 1020 N THR B 22 14.105 4.971 -8.019 1.00 6.93 N ATOM 1021 CA THR B 22 12.685 5.101 -8.290 1.00 7.01 C ATOM 1022 C THR B 22 11.897 4.047 -7.522 1.00 6.40 C ATOM 1023 O THR B 22 12.451 3.021 -7.115 1.00 6.11 O ATOM 1024 CB THR B 22 12.388 4.949 -9.795 1.00 7.68 C ATOM 1025 OG1 THR B 22 12.990 3.744 -10.293 1.00 7.91 O ATOM 1026 CG2 THR B 22 12.906 6.148 -10.578 1.00 8.28 C ATOM 0 H THR B 22 14.646 4.570 -8.785 1.00 6.93 H new ATOM 0 HA THR B 22 12.381 6.097 -7.967 1.00 7.01 H new ATOM 0 HB THR B 22 11.307 4.896 -9.926 1.00 7.68 H new ATOM 0 HG1 THR B 22 12.796 3.652 -11.249 1.00 7.91 H new ATOM 0 HG21 THR B 22 12.683 6.015 -11.637 1.00 8.28 H new ATOM 0 HG22 THR B 22 12.422 7.055 -10.217 1.00 8.28 H new ATOM 0 HG23 THR B 22 13.984 6.233 -10.442 1.00 8.28 H new ATOM 1034 N ILE B 23 10.605 4.293 -7.329 1.00 6.25 N ATOM 1035 CA ILE B 23 9.749 3.348 -6.625 1.00 5.69 C ATOM 1036 C ILE B 23 9.733 2.008 -7.365 1.00 5.85 C ATOM 1037 O ILE B 23 9.587 0.947 -6.758 1.00 5.45 O ATOM 1038 CB ILE B 23 8.311 3.895 -6.480 1.00 5.64 C ATOM 1039 CG1 ILE B 23 8.326 5.263 -5.780 1.00 5.64 C ATOM 1040 CG2 ILE B 23 7.430 2.919 -5.711 1.00 5.05 C ATOM 1041 CD1 ILE B 23 8.959 5.243 -4.402 1.00 5.05 C ATOM 0 H ILE B 23 10.130 5.137 -7.650 1.00 6.25 H new ATOM 0 HA ILE B 23 10.154 3.202 -5.624 1.00 5.69 H new ATOM 0 HB ILE B 23 7.894 4.016 -7.480 1.00 5.64 H new ATOM 0 HG12 ILE B 23 8.865 5.974 -6.406 1.00 5.64 H new ATOM 0 HG13 ILE B 23 7.302 5.627 -5.693 1.00 5.64 H new ATOM 0 HG21 ILE B 23 6.424 3.329 -5.623 1.00 5.05 H new ATOM 0 HG22 ILE B 23 7.390 1.968 -6.243 1.00 5.05 H new ATOM 0 HG23 ILE B 23 7.845 2.761 -4.716 1.00 5.05 H new ATOM 0 HD11 ILE B 23 8.931 6.245 -3.974 1.00 5.05 H new ATOM 0 HD12 ILE B 23 8.407 4.558 -3.758 1.00 5.05 H new ATOM 0 HD13 ILE B 23 9.994 4.911 -4.482 1.00 5.05 H new ATOM 1053 N GLU B 24 9.923 2.071 -8.681 1.00 6.53 N ATOM 1054 CA GLU B 24 9.953 0.878 -9.514 1.00 6.87 C ATOM 1055 C GLU B 24 11.119 -0.024 -9.113 1.00 6.77 C ATOM 1056 O GLU B 24 10.954 -1.236 -8.961 1.00 6.75 O ATOM 1057 CB GLU B 24 10.080 1.265 -10.985 1.00 7.65 C ATOM 1058 CG GLU B 24 9.900 0.097 -11.938 1.00 8.08 C ATOM 1059 CD GLU B 24 9.929 0.518 -13.390 1.00 8.84 C ATOM 1060 OE1 GLU B 24 8.877 0.931 -13.917 1.00 9.18 O ATOM 1061 OE2 GLU B 24 11.006 0.439 -14.014 1.00 9.13 O ATOM 0 H GLU B 24 10.059 2.943 -9.193 1.00 6.53 H new ATOM 0 HA GLU B 24 9.020 0.333 -9.368 1.00 6.87 H new ATOM 0 HB2 GLU B 24 9.338 2.030 -11.216 1.00 7.65 H new ATOM 0 HB3 GLU B 24 11.060 1.711 -11.151 1.00 7.65 H new ATOM 0 HG2 GLU B 24 10.687 -0.636 -11.761 1.00 8.08 H new ATOM 0 HG3 GLU B 24 8.952 -0.397 -11.726 1.00 8.08 H new ATOM 1068 N ASN B 25 12.294 0.577 -8.929 1.00 6.77 N ATOM 1069 CA ASN B 25 13.482 -0.175 -8.538 1.00 6.71 C ATOM 1070 C ASN B 25 13.297 -0.760 -7.145 1.00 6.02 C ATOM 1071 O ASN B 25 13.739 -1.873 -6.863 1.00 6.03 O ATOM 1072 CB ASN B 25 14.729 0.710 -8.575 1.00 6.89 C ATOM 1073 CG ASN B 25 16.008 -0.104 -8.513 1.00 7.03 C ATOM 1074 OD1 ASN B 25 16.045 -1.256 -8.945 1.00 7.36 O ATOM 1075 ND2 ASN B 25 17.069 0.488 -7.985 1.00 6.86 N ATOM 0 H ASN B 25 12.447 1.579 -9.044 1.00 6.77 H new ATOM 0 HA ASN B 25 13.620 -0.987 -9.251 1.00 6.71 H new ATOM 0 HB2 ASN B 25 14.723 1.306 -9.487 1.00 6.89 H new ATOM 0 HB3 ASN B 25 14.703 1.408 -7.738 1.00 6.89 H new ATOM 0 HD21 ASN B 25 17.956 -0.013 -7.926 1.00 6.86 H new ATOM 0 HD22 ASN B 25 16.999 1.444 -7.637 1.00 6.86 H new ATOM 1082 N VAL B 26 12.637 0.003 -6.280 1.00 5.50 N ATOM 1083 CA VAL B 26 12.362 -0.442 -4.919 1.00 4.81 C ATOM 1084 C VAL B 26 11.497 -1.697 -4.949 1.00 4.82 C ATOM 1085 O VAL B 26 11.789 -2.687 -4.274 1.00 4.68 O ATOM 1086 CB VAL B 26 11.652 0.659 -4.098 1.00 4.33 C ATOM 1087 CG1 VAL B 26 11.273 0.154 -2.713 1.00 3.62 C ATOM 1088 CG2 VAL B 26 12.534 1.897 -3.991 1.00 4.48 C ATOM 0 H VAL B 26 12.282 0.934 -6.498 1.00 5.50 H new ATOM 0 HA VAL B 26 13.315 -0.663 -4.439 1.00 4.81 H new ATOM 0 HB VAL B 26 10.734 0.928 -4.620 1.00 4.33 H new ATOM 0 HG11 VAL B 26 10.776 0.950 -2.159 1.00 3.62 H new ATOM 0 HG12 VAL B 26 10.599 -0.698 -2.808 1.00 3.62 H new ATOM 0 HG13 VAL B 26 12.172 -0.153 -2.179 1.00 3.62 H new ATOM 0 HG21 VAL B 26 12.019 2.662 -3.410 1.00 4.48 H new ATOM 0 HG22 VAL B 26 13.470 1.635 -3.497 1.00 4.48 H new ATOM 0 HG23 VAL B 26 12.745 2.281 -4.989 1.00 4.48 H new ATOM 1098 N LYS B 27 10.447 -1.649 -5.761 1.00 5.10 N ATOM 1099 CA LYS B 27 9.528 -2.771 -5.911 1.00 5.22 C ATOM 1100 C LYS B 27 10.254 -4.005 -6.435 1.00 5.78 C ATOM 1101 O LYS B 27 9.961 -5.131 -6.024 1.00 5.83 O ATOM 1102 CB LYS B 27 8.395 -2.408 -6.872 1.00 5.53 C ATOM 1103 CG LYS B 27 7.392 -1.419 -6.302 1.00 5.06 C ATOM 1104 CD LYS B 27 6.252 -1.176 -7.274 1.00 5.45 C ATOM 1105 CE LYS B 27 5.160 -0.325 -6.654 1.00 5.06 C ATOM 1106 NZ LYS B 27 4.031 -0.120 -7.595 1.00 5.50 N ATOM 0 H LYS B 27 10.210 -0.837 -6.331 1.00 5.10 H new ATOM 0 HA LYS B 27 9.114 -2.994 -4.928 1.00 5.22 H new ATOM 0 HB2 LYS B 27 8.825 -1.990 -7.782 1.00 5.53 H new ATOM 0 HB3 LYS B 27 7.869 -3.319 -7.157 1.00 5.53 H new ATOM 0 HG2 LYS B 27 6.996 -1.799 -5.360 1.00 5.06 H new ATOM 0 HG3 LYS B 27 7.892 -0.476 -6.080 1.00 5.06 H new ATOM 0 HD2 LYS B 27 6.634 -0.683 -8.168 1.00 5.45 H new ATOM 0 HD3 LYS B 27 5.834 -2.131 -7.591 1.00 5.45 H new ATOM 0 HE2 LYS B 27 4.795 -0.804 -5.745 1.00 5.06 H new ATOM 0 HE3 LYS B 27 5.572 0.641 -6.362 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 3.177 0.140 -7.061 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 4.269 0.642 -8.261 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 3.855 -0.999 -8.123 1.00 5.50 H new ATOM 1120 N ALA B 28 11.198 -3.782 -7.340 1.00 6.27 N ATOM 1121 CA ALA B 28 11.975 -4.866 -7.929 1.00 6.84 C ATOM 1122 C ALA B 28 12.737 -5.637 -6.859 1.00 6.63 C ATOM 1123 O ALA B 28 12.764 -6.871 -6.868 1.00 6.99 O ATOM 1124 CB ALA B 28 12.937 -4.320 -8.973 1.00 7.35 C ATOM 0 H ALA B 28 11.446 -2.854 -7.684 1.00 6.27 H new ATOM 0 HA ALA B 28 11.283 -5.554 -8.414 1.00 6.84 H new ATOM 0 HB1 ALA B 28 13.510 -5.141 -9.404 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.374 -3.818 -9.760 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.617 -3.609 -8.504 1.00 7.35 H new ATOM 1130 N LYS B 29 13.336 -4.908 -5.923 1.00 6.10 N ATOM 1131 CA LYS B 29 14.100 -5.525 -4.848 1.00 5.90 C ATOM 1132 C LYS B 29 13.188 -6.346 -3.947 1.00 5.68 C ATOM 1133 O LYS B 29 13.569 -7.421 -3.474 1.00 5.96 O ATOM 1134 CB LYS B 29 14.832 -4.464 -4.027 1.00 5.38 C ATOM 1135 CG LYS B 29 15.775 -3.604 -4.847 1.00 5.69 C ATOM 1136 CD LYS B 29 16.878 -3.020 -3.984 1.00 5.31 C ATOM 1137 CE LYS B 29 17.800 -2.133 -4.799 1.00 5.69 C ATOM 1138 NZ LYS B 29 19.046 -1.794 -4.060 1.00 5.63 N ATOM 0 H LYS B 29 13.306 -3.889 -5.888 1.00 6.10 H new ATOM 0 HA LYS B 29 14.839 -6.189 -5.296 1.00 5.90 H new ATOM 0 HB2 LYS B 29 14.097 -3.822 -3.542 1.00 5.38 H new ATOM 0 HB3 LYS B 29 15.398 -4.956 -3.236 1.00 5.38 H new ATOM 0 HG2 LYS B 29 16.213 -4.201 -5.646 1.00 5.69 H new ATOM 0 HG3 LYS B 29 15.216 -2.798 -5.321 1.00 5.69 H new ATOM 0 HD2 LYS B 29 16.439 -2.443 -3.170 1.00 5.31 H new ATOM 0 HD3 LYS B 29 17.453 -3.826 -3.529 1.00 5.31 H new ATOM 0 HE2 LYS B 29 18.057 -2.637 -5.731 1.00 5.69 H new ATOM 0 HE3 LYS B 29 17.276 -1.215 -5.067 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 19.592 -1.094 -4.602 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 18.801 -1.398 -3.130 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 19.617 -2.653 -3.931 1.00 5.63 H new ATOM 1152 N ILE B 30 11.985 -5.839 -3.712 1.00 5.27 N ATOM 1153 CA ILE B 30 11.012 -6.534 -2.884 1.00 5.11 C ATOM 1154 C ILE B 30 10.557 -7.811 -3.585 1.00 5.80 C ATOM 1155 O ILE B 30 10.339 -8.843 -2.950 1.00 6.03 O ATOM 1156 CB ILE B 30 9.790 -5.640 -2.570 1.00 4.53 C ATOM 1157 CG1 ILE B 30 10.243 -4.359 -1.859 1.00 3.87 C ATOM 1158 CG2 ILE B 30 8.779 -6.390 -1.709 1.00 4.48 C ATOM 1159 CD1 ILE B 30 9.139 -3.343 -1.656 1.00 3.34 C ATOM 0 H ILE B 30 11.660 -4.947 -4.085 1.00 5.27 H new ATOM 0 HA ILE B 30 11.492 -6.785 -1.938 1.00 5.11 H new ATOM 0 HB ILE B 30 9.308 -5.373 -3.510 1.00 4.53 H new ATOM 0 HG12 ILE B 30 10.662 -4.624 -0.888 1.00 3.87 H new ATOM 0 HG13 ILE B 30 11.044 -3.899 -2.437 1.00 3.87 H new ATOM 0 HG21 ILE B 30 7.928 -5.742 -1.500 1.00 4.48 H new ATOM 0 HG22 ILE B 30 8.437 -7.279 -2.240 1.00 4.48 H new ATOM 0 HG23 ILE B 30 9.249 -6.686 -0.771 1.00 4.48 H new ATOM 0 HD11 ILE B 30 9.540 -2.467 -1.147 1.00 3.34 H new ATOM 0 HD12 ILE B 30 8.734 -3.047 -2.624 1.00 3.34 H new ATOM 0 HD13 ILE B 30 8.346 -3.783 -1.051 1.00 3.34 H new ATOM 1171 N GLN B 31 10.450 -7.743 -4.907 1.00 6.20 N ATOM 1172 CA GLN B 31 10.045 -8.891 -5.710 1.00 6.89 C ATOM 1173 C GLN B 31 11.118 -9.974 -5.662 1.00 7.42 C ATOM 1174 O GLN B 31 10.823 -11.166 -5.747 1.00 7.92 O ATOM 1175 CB GLN B 31 9.805 -8.460 -7.162 1.00 7.24 C ATOM 1176 CG GLN B 31 9.454 -9.610 -8.095 1.00 7.96 C ATOM 1177 CD GLN B 31 9.294 -9.176 -9.541 1.00 8.43 C ATOM 1178 OE1 GLN B 31 9.906 -8.202 -9.982 1.00 8.42 O ATOM 1179 NE2 GLN B 31 8.470 -9.894 -10.286 1.00 8.89 N ATOM 0 H GLN B 31 10.639 -6.899 -5.448 1.00 6.20 H new ATOM 0 HA GLN B 31 9.119 -9.293 -5.300 1.00 6.89 H new ATOM 0 HB2 GLN B 31 8.999 -7.727 -7.185 1.00 7.24 H new ATOM 0 HB3 GLN B 31 10.699 -7.962 -7.536 1.00 7.24 H new ATOM 0 HG2 GLN B 31 10.233 -10.370 -8.034 1.00 7.96 H new ATOM 0 HG3 GLN B 31 8.528 -10.075 -7.757 1.00 7.96 H new ATOM 0 HE21 GLN B 31 7.982 -10.693 -9.882 1.00 8.89 H new ATOM 0 HE22 GLN B 31 8.322 -9.648 -11.265 1.00 8.89 H new ATOM 1188 N ASP B 32 12.358 -9.546 -5.494 1.00 7.32 N ATOM 1189 CA ASP B 32 13.490 -10.460 -5.449 1.00 7.80 C ATOM 1190 C ASP B 32 13.586 -11.200 -4.116 1.00 7.78 C ATOM 1191 O ASP B 32 13.792 -12.411 -4.095 1.00 8.36 O ATOM 1192 CB ASP B 32 14.791 -9.700 -5.704 1.00 7.68 C ATOM 1193 CG ASP B 32 15.985 -10.624 -5.828 1.00 8.20 C ATOM 1194 OD1 ASP B 32 16.131 -11.278 -6.880 1.00 8.79 O ATOM 1195 OD2 ASP B 32 16.788 -10.694 -4.873 1.00 8.05 O ATOM 0 H ASP B 32 12.609 -8.563 -5.386 1.00 7.32 H new ATOM 0 HA ASP B 32 13.332 -11.203 -6.231 1.00 7.80 H new ATOM 0 HB2 ASP B 32 14.693 -9.113 -6.617 1.00 7.68 H new ATOM 0 HB3 ASP B 32 14.963 -8.996 -4.890 1.00 7.68 H new ATOM 1200 N LYS B 33 13.425 -10.485 -3.005 1.00 7.19 N ATOM 1201 CA LYS B 33 13.543 -11.114 -1.690 1.00 7.24 C ATOM 1202 C LYS B 33 12.212 -11.658 -1.161 1.00 7.31 C ATOM 1203 O LYS B 33 12.163 -12.764 -0.623 1.00 7.78 O ATOM 1204 CB LYS B 33 14.164 -10.140 -0.673 1.00 6.67 C ATOM 1205 CG LYS B 33 13.386 -8.843 -0.480 1.00 5.91 C ATOM 1206 CD LYS B 33 13.742 -8.166 0.841 1.00 5.41 C ATOM 1207 CE LYS B 33 15.177 -7.656 0.850 1.00 5.44 C ATOM 1208 NZ LYS B 33 15.582 -7.131 2.184 1.00 5.21 N ATOM 0 H LYS B 33 13.216 -9.487 -2.986 1.00 7.19 H new ATOM 0 HA LYS B 33 14.204 -11.971 -1.819 1.00 7.24 H new ATOM 0 HB2 LYS B 33 14.248 -10.645 0.289 1.00 6.67 H new ATOM 0 HB3 LYS B 33 15.177 -9.897 -0.994 1.00 6.67 H new ATOM 0 HG2 LYS B 33 13.598 -8.164 -1.306 1.00 5.91 H new ATOM 0 HG3 LYS B 33 12.317 -9.052 -0.506 1.00 5.91 H new ATOM 0 HD2 LYS B 33 13.060 -7.334 1.018 1.00 5.41 H new ATOM 0 HD3 LYS B 33 13.603 -8.872 1.660 1.00 5.41 H new ATOM 0 HE2 LYS B 33 15.849 -8.464 0.561 1.00 5.44 H new ATOM 0 HE3 LYS B 33 15.285 -6.869 0.104 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 16.617 -7.034 2.219 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 15.141 -6.202 2.340 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 15.271 -7.790 2.926 1.00 5.21 H new ATOM 1222 N GLU B 34 11.134 -10.902 -1.322 1.00 6.89 N ATOM 1223 CA GLU B 34 9.832 -11.328 -0.817 1.00 6.93 C ATOM 1224 C GLU B 34 9.052 -12.129 -1.853 1.00 7.47 C ATOM 1225 O GLU B 34 8.146 -12.887 -1.505 1.00 7.85 O ATOM 1226 CB GLU B 34 9.011 -10.120 -0.372 1.00 6.19 C ATOM 1227 CG GLU B 34 9.560 -9.428 0.863 1.00 5.76 C ATOM 1228 CD GLU B 34 9.755 -10.381 2.025 1.00 6.20 C ATOM 1229 OE1 GLU B 34 8.821 -11.147 2.340 1.00 6.35 O ATOM 1230 OE2 GLU B 34 10.841 -10.366 2.633 1.00 6.48 O ATOM 0 H GLU B 34 11.133 -9.998 -1.794 1.00 6.89 H new ATOM 0 HA GLU B 34 10.016 -11.978 0.039 1.00 6.93 H new ATOM 0 HB2 GLU B 34 8.966 -9.401 -1.190 1.00 6.19 H new ATOM 0 HB3 GLU B 34 7.988 -10.441 -0.173 1.00 6.19 H new ATOM 0 HG2 GLU B 34 10.513 -8.958 0.619 1.00 5.76 H new ATOM 0 HG3 GLU B 34 8.879 -8.631 1.162 1.00 5.76 H new ATOM 1237 N GLY B 35 9.399 -11.959 -3.122 1.00 7.55 N ATOM 1238 CA GLY B 35 8.719 -12.684 -4.183 1.00 8.09 C ATOM 1239 C GLY B 35 7.366 -12.091 -4.534 1.00 7.80 C ATOM 1240 O GLY B 35 6.514 -12.770 -5.104 1.00 8.21 O ATOM 0 H GLY B 35 10.139 -11.332 -3.438 1.00 7.55 H new ATOM 0 HA2 GLY B 35 9.349 -12.690 -5.073 1.00 8.09 H new ATOM 0 HA3 GLY B 35 8.587 -13.722 -3.879 1.00 8.09 H new ATOM 1244 N ILE B 36 7.169 -10.826 -4.200 1.00 7.10 N ATOM 1245 CA ILE B 36 5.910 -10.153 -4.483 1.00 6.77 C ATOM 1246 C ILE B 36 6.015 -9.329 -5.763 1.00 6.83 C ATOM 1247 O ILE B 36 6.857 -8.441 -5.858 1.00 6.60 O ATOM 1248 CB ILE B 36 5.499 -9.218 -3.327 1.00 5.99 C ATOM 1249 CG1 ILE B 36 5.664 -9.925 -1.979 1.00 6.04 C ATOM 1250 CG2 ILE B 36 4.061 -8.752 -3.509 1.00 5.67 C ATOM 1251 CD1 ILE B 36 5.610 -8.983 -0.794 1.00 5.35 C ATOM 0 H ILE B 36 7.864 -10.244 -3.733 1.00 7.10 H new ATOM 0 HA ILE B 36 5.153 -10.928 -4.602 1.00 6.77 H new ATOM 0 HB ILE B 36 6.152 -8.345 -3.340 1.00 5.99 H new ATOM 0 HG12 ILE B 36 4.881 -10.676 -1.873 1.00 6.04 H new ATOM 0 HG13 ILE B 36 6.617 -10.455 -1.969 1.00 6.04 H new ATOM 0 HG21 ILE B 36 3.785 -8.093 -2.686 1.00 5.67 H new ATOM 0 HG22 ILE B 36 3.970 -8.213 -4.452 1.00 5.67 H new ATOM 0 HG23 ILE B 36 3.397 -9.616 -3.520 1.00 5.67 H new ATOM 0 HD11 ILE B 36 5.734 -9.551 0.128 1.00 5.35 H new ATOM 0 HD12 ILE B 36 6.410 -8.247 -0.877 1.00 5.35 H new ATOM 0 HD13 ILE B 36 4.647 -8.472 -0.779 1.00 5.35 H new ATOM 1263 N PRO B 37 5.179 -9.622 -6.774 1.00 7.22 N ATOM 1264 CA PRO B 37 5.182 -8.880 -8.040 1.00 7.44 C ATOM 1265 C PRO B 37 4.895 -7.394 -7.826 1.00 6.84 C ATOM 1266 O PRO B 37 3.946 -7.038 -7.126 1.00 6.32 O ATOM 1267 CB PRO B 37 4.053 -9.535 -8.847 1.00 7.86 C ATOM 1268 CG PRO B 37 3.877 -10.881 -8.235 1.00 8.10 C ATOM 1269 CD PRO B 37 4.179 -10.703 -6.776 1.00 7.57 C ATOM 0 HA PRO B 37 6.150 -8.922 -8.539 1.00 7.44 H new ATOM 0 HB2 PRO B 37 3.135 -8.951 -8.788 1.00 7.86 H new ATOM 0 HB3 PRO B 37 4.315 -9.612 -9.902 1.00 7.86 H new ATOM 0 HG2 PRO B 37 2.862 -11.249 -8.383 1.00 8.10 H new ATOM 0 HG3 PRO B 37 4.550 -11.609 -8.689 1.00 8.10 H new ATOM 0 HD2 PRO B 37 3.288 -10.430 -6.210 1.00 7.57 H new ATOM 0 HD3 PRO B 37 4.572 -11.617 -6.331 1.00 7.57 H new ATOM 1277 N PRO B 38 5.725 -6.513 -8.417 1.00 6.95 N ATOM 1278 CA PRO B 38 5.577 -5.055 -8.297 1.00 6.54 C ATOM 1279 C PRO B 38 4.165 -4.559 -8.594 1.00 6.45 C ATOM 1280 O PRO B 38 3.700 -3.596 -7.985 1.00 5.97 O ATOM 1281 CB PRO B 38 6.552 -4.522 -9.340 1.00 7.04 C ATOM 1282 CG PRO B 38 7.603 -5.566 -9.435 1.00 7.43 C ATOM 1283 CD PRO B 38 6.891 -6.874 -9.245 1.00 7.57 C ATOM 0 HA PRO B 38 5.773 -4.719 -7.279 1.00 6.54 H new ATOM 0 HB2 PRO B 38 6.060 -4.366 -10.300 1.00 7.04 H new ATOM 0 HB3 PRO B 38 6.972 -3.563 -9.037 1.00 7.04 H new ATOM 0 HG2 PRO B 38 8.105 -5.530 -10.402 1.00 7.43 H new ATOM 0 HG3 PRO B 38 8.369 -5.422 -8.673 1.00 7.43 H new ATOM 0 HD2 PRO B 38 6.588 -7.308 -10.198 1.00 7.57 H new ATOM 0 HD3 PRO B 38 7.525 -7.608 -8.747 1.00 7.57 H new ATOM 1291 N ASP B 39 3.488 -5.223 -9.521 1.00 6.95 N ATOM 1292 CA ASP B 39 2.127 -4.850 -9.896 1.00 6.96 C ATOM 1293 C ASP B 39 1.169 -4.997 -8.718 1.00 6.32 C ATOM 1294 O ASP B 39 0.237 -4.212 -8.563 1.00 6.07 O ATOM 1295 CB ASP B 39 1.634 -5.709 -11.060 1.00 7.65 C ATOM 1296 CG ASP B 39 0.179 -5.445 -11.387 1.00 7.66 C ATOM 1297 OD1 ASP B 39 -0.127 -4.354 -11.912 1.00 7.61 O ATOM 1298 OD2 ASP B 39 -0.666 -6.323 -11.114 1.00 7.79 O ATOM 0 H ASP B 39 3.859 -6.026 -10.030 1.00 6.95 H new ATOM 0 HA ASP B 39 2.148 -3.804 -10.202 1.00 6.96 H new ATOM 0 HB2 ASP B 39 2.245 -5.510 -11.941 1.00 7.65 H new ATOM 0 HB3 ASP B 39 1.764 -6.763 -10.813 1.00 7.65 H new ATOM 1303 N GLN B 40 1.416 -5.999 -7.885 1.00 6.12 N ATOM 1304 CA GLN B 40 0.574 -6.255 -6.723 1.00 5.59 C ATOM 1305 C GLN B 40 1.056 -5.461 -5.519 1.00 4.88 C ATOM 1306 O GLN B 40 0.406 -5.447 -4.473 1.00 4.41 O ATOM 1307 CB GLN B 40 0.568 -7.745 -6.390 1.00 5.92 C ATOM 1308 CG GLN B 40 -0.083 -8.602 -7.459 1.00 6.60 C ATOM 1309 CD GLN B 40 -0.165 -10.057 -7.055 1.00 7.04 C ATOM 1310 OE1 GLN B 40 0.721 -10.852 -7.364 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -1.225 -10.411 -6.353 1.00 6.80 N ATOM 0 H GLN B 40 2.194 -6.649 -7.992 1.00 6.12 H new ATOM 0 HA GLN B 40 -0.440 -5.938 -6.965 1.00 5.59 H new ATOM 0 HB2 GLN B 40 1.595 -8.080 -6.242 1.00 5.92 H new ATOM 0 HB3 GLN B 40 0.044 -7.896 -5.446 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -1.086 -8.226 -7.662 1.00 6.60 H new ATOM 0 HG3 GLN B 40 0.484 -8.516 -8.386 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -1.936 -9.718 -6.119 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -1.333 -11.377 -6.045 1.00 6.80 H new ATOM 1320 N GLN B 41 2.195 -4.806 -5.670 1.00 4.86 N ATOM 1321 CA GLN B 41 2.759 -4.013 -4.595 1.00 4.24 C ATOM 1322 C GLN B 41 2.111 -2.637 -4.552 1.00 3.92 C ATOM 1323 O GLN B 41 2.564 -1.702 -5.216 1.00 4.35 O ATOM 1324 CB GLN B 41 4.272 -3.859 -4.762 1.00 4.48 C ATOM 1325 CG GLN B 41 5.057 -5.153 -4.614 1.00 4.79 C ATOM 1326 CD GLN B 41 6.551 -4.915 -4.658 1.00 4.88 C ATOM 1327 OE1 GLN B 41 7.038 -3.881 -4.210 1.00 4.46 O ATOM 1328 NE2 GLN B 41 7.290 -5.862 -5.209 1.00 5.46 N ATOM 0 H GLN B 41 2.746 -4.809 -6.528 1.00 4.86 H new ATOM 0 HA GLN B 41 2.561 -4.535 -3.659 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.475 -3.436 -5.746 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.635 -3.142 -4.026 1.00 4.48 H new ATOM 0 HG2 GLN B 41 4.793 -5.632 -3.671 1.00 4.79 H new ATOM 0 HG3 GLN B 41 4.775 -5.842 -5.411 1.00 4.79 H new ATOM 0 HE21 GLN B 41 6.849 -6.708 -5.570 1.00 5.46 H new ATOM 0 HE22 GLN B 41 8.302 -5.747 -5.273 1.00 5.46 H new ATOM 1337 N ARG B 42 1.035 -2.519 -3.797 1.00 3.29 N ATOM 1338 CA ARG B 42 0.347 -1.249 -3.663 1.00 3.09 C ATOM 1339 C ARG B 42 0.934 -0.486 -2.482 1.00 2.49 C ATOM 1340 O ARG B 42 0.451 -0.589 -1.353 1.00 1.91 O ATOM 1341 CB ARG B 42 -1.156 -1.475 -3.490 1.00 2.97 C ATOM 1342 CG ARG B 42 -1.984 -0.200 -3.495 1.00 3.22 C ATOM 1343 CD ARG B 42 -3.464 -0.515 -3.357 1.00 3.19 C ATOM 1344 NE ARG B 42 -4.271 0.688 -3.141 1.00 3.24 N ATOM 1345 CZ ARG B 42 -4.844 1.009 -1.981 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -4.638 0.261 -0.898 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -5.600 2.095 -1.898 1.00 3.59 N ATOM 0 H ARG B 42 0.619 -3.286 -3.268 1.00 3.29 H new ATOM 0 HA ARG B 42 0.487 -0.656 -4.567 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -1.508 -2.126 -4.290 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -1.327 -2.002 -2.551 1.00 2.97 H new ATOM 0 HG2 ARG B 42 -1.668 0.447 -2.677 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -1.809 0.348 -4.421 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -3.810 -1.025 -4.256 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -3.611 -1.203 -2.524 1.00 3.19 H new ATOM 0 HE ARG B 42 -4.403 1.321 -3.929 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -4.039 -0.563 -0.953 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -5.079 0.512 -0.013 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -5.742 2.682 -2.720 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -6.040 2.344 -1.012 1.00 3.59 H new ATOM 1361 N LEU B 43 2.009 0.242 -2.751 1.00 2.72 N ATOM 1362 CA LEU B 43 2.694 1.016 -1.725 1.00 2.34 C ATOM 1363 C LEU B 43 1.897 2.258 -1.362 1.00 2.51 C ATOM 1364 O LEU B 43 1.729 3.167 -2.179 1.00 3.16 O ATOM 1365 CB LEU B 43 4.096 1.401 -2.197 1.00 2.69 C ATOM 1366 CG LEU B 43 5.165 0.325 -1.996 1.00 2.62 C ATOM 1367 CD1 LEU B 43 6.396 0.631 -2.833 1.00 3.19 C ATOM 1368 CD2 LEU B 43 5.533 0.210 -0.523 1.00 2.03 C ATOM 0 H LEU B 43 2.428 0.313 -3.678 1.00 2.72 H new ATOM 0 HA LEU B 43 2.783 0.396 -0.833 1.00 2.34 H new ATOM 0 HB2 LEU B 43 4.050 1.652 -3.257 1.00 2.69 H new ATOM 0 HB3 LEU B 43 4.406 2.303 -1.669 1.00 2.69 H new ATOM 0 HG LEU B 43 4.758 -0.631 -2.325 1.00 2.62 H new ATOM 0 HD11 LEU B 43 7.145 -0.146 -2.676 1.00 3.19 H new ATOM 0 HD12 LEU B 43 6.121 0.662 -3.887 1.00 3.19 H new ATOM 0 HD13 LEU B 43 6.807 1.596 -2.537 1.00 3.19 H new ATOM 0 HD21 LEU B 43 6.294 -0.560 -0.397 1.00 2.03 H new ATOM 0 HD22 LEU B 43 5.921 1.165 -0.169 1.00 2.03 H new ATOM 0 HD23 LEU B 43 4.648 -0.058 0.053 1.00 2.03 H new ATOM 1380 N ILE B 44 1.405 2.283 -0.136 1.00 2.10 N ATOM 1381 CA ILE B 44 0.615 3.394 0.358 1.00 2.55 C ATOM 1382 C ILE B 44 1.361 4.132 1.466 1.00 2.73 C ATOM 1383 O ILE B 44 1.790 3.530 2.452 1.00 2.37 O ATOM 1384 CB ILE B 44 -0.753 2.910 0.896 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -1.587 2.287 -0.232 1.00 2.20 C ATOM 1386 CG2 ILE B 44 -1.517 4.049 1.559 1.00 3.04 C ATOM 1387 CD1 ILE B 44 -2.041 3.279 -1.282 1.00 2.92 C ATOM 0 H ILE B 44 1.542 1.535 0.543 1.00 2.10 H new ATOM 0 HA ILE B 44 0.444 4.073 -0.478 1.00 2.55 H new ATOM 0 HB ILE B 44 -0.565 2.147 1.651 1.00 2.35 H new ATOM 0 HG12 ILE B 44 -1.000 1.506 -0.715 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -2.464 1.806 0.201 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -2.474 3.679 1.927 1.00 3.04 H new ATOM 0 HG22 ILE B 44 -0.934 4.441 2.393 1.00 3.04 H new ATOM 0 HG23 ILE B 44 -1.690 4.843 0.832 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -2.624 2.761 -2.044 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -2.656 4.048 -0.814 1.00 2.92 H new ATOM 0 HD13 ILE B 44 -1.170 3.743 -1.745 1.00 2.92 H new ATOM 1399 N PHE B 45 1.530 5.430 1.285 1.00 3.41 N ATOM 1400 CA PHE B 45 2.195 6.258 2.273 1.00 3.75 C ATOM 1401 C PHE B 45 1.253 7.369 2.702 1.00 4.37 C ATOM 1402 O PHE B 45 1.128 8.391 2.023 1.00 4.85 O ATOM 1403 CB PHE B 45 3.502 6.839 1.720 1.00 3.98 C ATOM 1404 CG PHE B 45 4.339 7.532 2.760 1.00 4.33 C ATOM 1405 CD1 PHE B 45 4.662 6.892 3.947 1.00 4.10 C ATOM 1406 CD2 PHE B 45 4.805 8.819 2.550 1.00 5.00 C ATOM 1407 CE1 PHE B 45 5.433 7.524 4.904 1.00 4.54 C ATOM 1408 CE2 PHE B 45 5.578 9.457 3.503 1.00 5.37 C ATOM 1409 CZ PHE B 45 5.894 8.807 4.681 1.00 5.14 C ATOM 0 H PHE B 45 1.213 5.935 0.457 1.00 3.41 H new ATOM 0 HA PHE B 45 2.453 5.644 3.136 1.00 3.75 H new ATOM 0 HB2 PHE B 45 4.086 6.035 1.271 1.00 3.98 H new ATOM 0 HB3 PHE B 45 3.268 7.546 0.924 1.00 3.98 H new ATOM 0 HD1 PHE B 45 4.307 5.888 4.126 1.00 4.10 H new ATOM 0 HD2 PHE B 45 4.562 9.331 1.631 1.00 5.00 H new ATOM 0 HE1 PHE B 45 5.675 7.015 5.825 1.00 4.54 H new ATOM 0 HE2 PHE B 45 5.934 10.461 3.327 1.00 5.37 H new ATOM 0 HZ PHE B 45 6.500 9.301 5.426 1.00 5.14 H new ATOM 1419 N ALA B 46 0.565 7.137 3.817 1.00 4.47 N ATOM 1420 CA ALA B 46 -0.390 8.093 4.361 1.00 5.11 C ATOM 1421 C ALA B 46 -1.533 8.323 3.378 1.00 5.25 C ATOM 1422 O ALA B 46 -1.893 9.458 3.071 1.00 5.80 O ATOM 1423 CB ALA B 46 0.301 9.406 4.720 1.00 5.68 C ATOM 0 H ALA B 46 0.655 6.282 4.366 1.00 4.47 H new ATOM 0 HA ALA B 46 -0.810 7.678 5.277 1.00 5.11 H new ATOM 0 HB1 ALA B 46 -0.432 10.104 5.124 1.00 5.68 H new ATOM 0 HB2 ALA B 46 1.073 9.219 5.466 1.00 5.68 H new ATOM 0 HB3 ALA B 46 0.756 9.834 3.827 1.00 5.68 H new ATOM 1429 N GLY B 47 -2.089 7.228 2.874 1.00 4.86 N ATOM 1430 CA GLY B 47 -3.188 7.315 1.931 1.00 5.04 C ATOM 1431 C GLY B 47 -2.714 7.452 0.499 1.00 5.20 C ATOM 1432 O GLY B 47 -3.228 6.787 -0.401 1.00 5.50 O ATOM 0 H GLY B 47 -1.797 6.278 3.103 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -3.811 6.425 2.021 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -3.815 8.169 2.186 1.00 5.04 H new ATOM 1436 N LYS B 48 -1.730 8.311 0.294 1.00 5.13 N ATOM 1437 CA LYS B 48 -1.181 8.554 -1.031 1.00 5.44 C ATOM 1438 C LYS B 48 -0.379 7.355 -1.519 1.00 4.89 C ATOM 1439 O LYS B 48 0.494 6.849 -0.813 1.00 4.41 O ATOM 1440 CB LYS B 48 -0.294 9.800 -1.010 1.00 6.05 C ATOM 1441 CG LYS B 48 -1.044 11.077 -0.662 1.00 6.75 C ATOM 1442 CD LYS B 48 -0.109 12.159 -0.140 1.00 7.32 C ATOM 1443 CE LYS B 48 0.419 11.824 1.245 1.00 7.40 C ATOM 1444 NZ LYS B 48 1.021 13.009 1.910 1.00 7.95 N ATOM 0 H LYS B 48 -1.291 8.857 1.035 1.00 5.13 H new ATOM 0 HA LYS B 48 -2.011 8.713 -1.719 1.00 5.44 H new ATOM 0 HB2 LYS B 48 0.509 9.652 -0.288 1.00 6.05 H new ATOM 0 HB3 LYS B 48 0.174 9.919 -1.987 1.00 6.05 H new ATOM 0 HG2 LYS B 48 -1.566 11.444 -1.546 1.00 6.75 H new ATOM 0 HG3 LYS B 48 -1.803 10.859 0.089 1.00 6.75 H new ATOM 0 HD2 LYS B 48 0.727 12.281 -0.829 1.00 7.32 H new ATOM 0 HD3 LYS B 48 -0.637 13.112 -0.108 1.00 7.32 H new ATOM 0 HE2 LYS B 48 -0.394 11.437 1.859 1.00 7.40 H new ATOM 0 HE3 LYS B 48 1.165 11.033 1.168 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 1.369 12.739 2.852 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 1.813 13.364 1.337 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 0.303 13.755 2.007 1.00 7.95 H new ATOM 1458 N GLN B 49 -0.692 6.901 -2.723 1.00 5.05 N ATOM 1459 CA GLN B 49 0.004 5.772 -3.321 1.00 4.73 C ATOM 1460 C GLN B 49 1.244 6.263 -4.060 1.00 5.12 C ATOM 1461 O GLN B 49 1.267 7.383 -4.569 1.00 5.81 O ATOM 1462 CB GLN B 49 -0.928 5.022 -4.276 1.00 4.93 C ATOM 1463 CG GLN B 49 -0.384 3.680 -4.737 1.00 4.85 C ATOM 1464 CD GLN B 49 -1.380 2.903 -5.575 1.00 5.12 C ATOM 1465 OE1 GLN B 49 -0.998 2.151 -6.472 1.00 5.27 O ATOM 1466 NE2 GLN B 49 -2.661 3.071 -5.283 1.00 5.36 N ATOM 0 H GLN B 49 -1.427 7.299 -3.307 1.00 5.05 H new ATOM 0 HA GLN B 49 0.313 5.085 -2.533 1.00 4.73 H new ATOM 0 HB2 GLN B 49 -1.887 4.865 -3.783 1.00 4.93 H new ATOM 0 HB3 GLN B 49 -1.117 5.646 -5.149 1.00 4.93 H new ATOM 0 HG2 GLN B 49 0.525 3.841 -5.316 1.00 4.85 H new ATOM 0 HG3 GLN B 49 -0.106 3.086 -3.866 1.00 4.85 H new ATOM 0 HE21 GLN B 49 -2.934 3.704 -4.531 1.00 5.36 H new ATOM 0 HE22 GLN B 49 -3.374 2.567 -5.810 1.00 5.36 H new ATOM 1475 N LEU B 50 2.276 5.433 -4.105 1.00 4.71 N ATOM 1476 CA LEU B 50 3.520 5.802 -4.771 1.00 5.07 C ATOM 1477 C LEU B 50 3.552 5.284 -6.210 1.00 5.51 C ATOM 1478 O LEU B 50 3.188 4.136 -6.474 1.00 5.29 O ATOM 1479 CB LEU B 50 4.720 5.249 -3.993 1.00 4.53 C ATOM 1480 CG LEU B 50 4.633 5.373 -2.467 1.00 4.10 C ATOM 1481 CD1 LEU B 50 5.873 4.784 -1.812 1.00 3.66 C ATOM 1482 CD2 LEU B 50 4.453 6.826 -2.053 1.00 4.69 C ATOM 0 H LEU B 50 2.278 4.501 -3.690 1.00 4.71 H new ATOM 0 HA LEU B 50 3.576 6.890 -4.798 1.00 5.07 H new ATOM 0 HB2 LEU B 50 4.842 4.196 -4.248 1.00 4.53 H new ATOM 0 HB3 LEU B 50 5.619 5.765 -4.331 1.00 4.53 H new ATOM 0 HG LEU B 50 3.762 4.811 -2.129 1.00 4.10 H new ATOM 0 HD11 LEU B 50 5.793 4.881 -0.729 1.00 3.66 H new ATOM 0 HD12 LEU B 50 5.958 3.730 -2.077 1.00 3.66 H new ATOM 0 HD13 LEU B 50 6.757 5.318 -2.160 1.00 3.66 H new ATOM 0 HD21 LEU B 50 4.394 6.890 -0.967 1.00 4.69 H new ATOM 0 HD22 LEU B 50 5.302 7.413 -2.405 1.00 4.69 H new ATOM 0 HD23 LEU B 50 3.535 7.218 -2.490 1.00 4.69 H new ATOM 1494 N GLU B 51 3.975 6.141 -7.134 1.00 6.21 N ATOM 1495 CA GLU B 51 4.074 5.769 -8.539 1.00 6.75 C ATOM 1496 C GLU B 51 5.462 5.218 -8.849 1.00 6.81 C ATOM 1497 O GLU B 51 6.459 5.676 -8.292 1.00 6.81 O ATOM 1498 CB GLU B 51 3.779 6.970 -9.439 1.00 7.48 C ATOM 1499 CG GLU B 51 2.298 7.199 -9.700 1.00 8.08 C ATOM 1500 CD GLU B 51 1.646 8.093 -8.664 1.00 8.74 C ATOM 1501 OE1 GLU B 51 2.214 9.164 -8.357 1.00 9.08 O ATOM 1502 OE2 GLU B 51 0.551 7.743 -8.172 1.00 9.03 O ATOM 0 H GLU B 51 4.255 7.101 -6.933 1.00 6.21 H new ATOM 0 HA GLU B 51 3.333 4.994 -8.736 1.00 6.75 H new ATOM 0 HB2 GLU B 51 4.199 7.866 -8.982 1.00 7.48 H new ATOM 0 HB3 GLU B 51 4.288 6.830 -10.393 1.00 7.48 H new ATOM 0 HG2 GLU B 51 2.173 7.645 -10.687 1.00 8.08 H new ATOM 0 HG3 GLU B 51 1.785 6.238 -9.717 1.00 8.08 H new ATOM 1509 N ASP B 52 5.517 4.256 -9.759 1.00 6.95 N ATOM 1510 CA ASP B 52 6.770 3.603 -10.144 1.00 7.11 C ATOM 1511 C ASP B 52 7.750 4.570 -10.798 1.00 7.68 C ATOM 1512 O ASP B 52 8.966 4.418 -10.662 1.00 7.65 O ATOM 1513 CB ASP B 52 6.496 2.450 -11.110 1.00 7.41 C ATOM 1514 CG ASP B 52 6.006 1.193 -10.417 1.00 6.92 C ATOM 1515 OD1 ASP B 52 5.111 1.296 -9.551 1.00 6.71 O ATOM 1516 OD2 ASP B 52 6.498 0.093 -10.751 1.00 6.84 O ATOM 0 H ASP B 52 4.698 3.903 -10.254 1.00 6.95 H new ATOM 0 HA ASP B 52 7.221 3.228 -9.225 1.00 7.11 H new ATOM 0 HB2 ASP B 52 5.753 2.767 -11.842 1.00 7.41 H new ATOM 0 HB3 ASP B 52 7.408 2.221 -11.661 1.00 7.41 H new ATOM 1521 N GLY B 53 7.221 5.553 -11.516 1.00 8.21 N ATOM 1522 CA GLY B 53 8.065 6.519 -12.197 1.00 8.81 C ATOM 1523 C GLY B 53 8.557 7.630 -11.292 1.00 8.72 C ATOM 1524 O GLY B 53 9.346 8.475 -11.714 1.00 9.22 O ATOM 0 H GLY B 53 6.219 5.700 -11.640 1.00 8.21 H new ATOM 0 HA2 GLY B 53 8.924 6.002 -12.626 1.00 8.81 H new ATOM 0 HA3 GLY B 53 7.509 6.955 -13.027 1.00 8.81 H new ATOM 1528 N ARG B 54 8.105 7.629 -10.049 1.00 8.14 N ATOM 1529 CA ARG B 54 8.508 8.652 -9.098 1.00 8.09 C ATOM 1530 C ARG B 54 9.618 8.139 -8.193 1.00 7.60 C ATOM 1531 O ARG B 54 9.870 6.933 -8.120 1.00 7.21 O ATOM 1532 CB ARG B 54 7.311 9.101 -8.254 1.00 7.88 C ATOM 1533 CG ARG B 54 6.248 9.851 -9.039 1.00 8.41 C ATOM 1534 CD ARG B 54 6.762 11.191 -9.549 1.00 9.15 C ATOM 1535 NE ARG B 54 7.134 11.138 -10.965 1.00 9.64 N ATOM 1536 CZ ARG B 54 8.292 11.588 -11.456 1.00 10.23 C ATOM 1537 NH1 ARG B 54 9.231 12.059 -10.644 1.00 10.39 N ATOM 1538 NH2 ARG B 54 8.522 11.541 -12.764 1.00 10.70 N ATOM 0 H ARG B 54 7.460 6.933 -9.675 1.00 8.14 H new ATOM 0 HA ARG B 54 8.884 9.507 -9.660 1.00 8.09 H new ATOM 0 HB2 ARG B 54 6.856 8.225 -7.792 1.00 7.88 H new ATOM 0 HB3 ARG B 54 7.668 9.739 -7.445 1.00 7.88 H new ATOM 0 HG2 ARG B 54 5.921 9.242 -9.882 1.00 8.41 H new ATOM 0 HG3 ARG B 54 5.376 10.013 -8.406 1.00 8.41 H new ATOM 0 HD2 ARG B 54 5.994 11.951 -9.405 1.00 9.15 H new ATOM 0 HD3 ARG B 54 7.627 11.495 -8.959 1.00 9.15 H new ATOM 0 HE ARG B 54 6.465 10.731 -11.619 1.00 9.64 H new ATOM 0 HH11 ARG B 54 9.071 12.079 -9.637 1.00 10.39 H new ATOM 0 HH12 ARG B 54 10.112 12.401 -11.027 1.00 10.39 H new ATOM 0 HH21 ARG B 54 7.814 11.161 -13.393 1.00 10.70 H new ATOM 0 HH22 ARG B 54 9.406 11.885 -13.139 1.00 10.70 H new ATOM 1552 N THR B 55 10.291 9.057 -7.522 1.00 7.68 N ATOM 1553 CA THR B 55 11.367 8.704 -6.612 1.00 7.27 C ATOM 1554 C THR B 55 10.892 8.826 -5.170 1.00 6.76 C ATOM 1555 O THR B 55 9.785 9.305 -4.915 1.00 6.83 O ATOM 1556 CB THR B 55 12.601 9.605 -6.820 1.00 7.75 C ATOM 1557 OG1 THR B 55 12.206 10.986 -6.859 1.00 8.25 O ATOM 1558 CG2 THR B 55 13.331 9.241 -8.104 1.00 8.15 C ATOM 0 H THR B 55 10.110 10.058 -7.591 1.00 7.68 H new ATOM 0 HA THR B 55 11.653 7.674 -6.823 1.00 7.27 H new ATOM 0 HB THR B 55 13.279 9.448 -5.981 1.00 7.75 H new ATOM 0 HG1 THR B 55 12.646 11.473 -6.131 1.00 8.25 H new ATOM 0 HG21 THR B 55 14.197 9.891 -8.227 1.00 8.15 H new ATOM 0 HG22 THR B 55 13.661 8.203 -8.053 1.00 8.15 H new ATOM 0 HG23 THR B 55 12.659 9.367 -8.953 1.00 8.15 H new ATOM 1566 N LEU B 56 11.718 8.396 -4.225 1.00 6.30 N ATOM 1567 CA LEU B 56 11.357 8.478 -2.816 1.00 5.87 C ATOM 1568 C LEU B 56 11.354 9.933 -2.356 1.00 6.39 C ATOM 1569 O LEU B 56 10.612 10.316 -1.446 1.00 6.35 O ATOM 1570 CB LEU B 56 12.320 7.645 -1.966 1.00 5.35 C ATOM 1571 CG LEU B 56 12.186 6.128 -2.140 1.00 4.85 C ATOM 1572 CD1 LEU B 56 13.506 5.519 -2.588 1.00 4.55 C ATOM 1573 CD2 LEU B 56 11.706 5.482 -0.846 1.00 4.34 C ATOM 0 H LEU B 56 12.636 7.990 -4.406 1.00 6.30 H new ATOM 0 HA LEU B 56 10.353 8.073 -2.689 1.00 5.87 H new ATOM 0 HB2 LEU B 56 13.342 7.935 -2.210 1.00 5.35 H new ATOM 0 HB3 LEU B 56 12.161 7.891 -0.916 1.00 5.35 H new ATOM 0 HG LEU B 56 11.444 5.936 -2.915 1.00 4.85 H new ATOM 0 HD11 LEU B 56 13.388 4.442 -2.705 1.00 4.55 H new ATOM 0 HD12 LEU B 56 13.804 5.957 -3.540 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.272 5.721 -1.840 1.00 4.55 H new ATOM 0 HD21 LEU B 56 11.617 4.405 -0.988 1.00 4.34 H new ATOM 0 HD22 LEU B 56 12.423 5.685 -0.050 1.00 4.34 H new ATOM 0 HD23 LEU B 56 10.735 5.894 -0.572 1.00 4.34 H new ATOM 1585 N SER B 57 12.172 10.746 -3.008 1.00 6.96 N ATOM 1586 CA SER B 57 12.271 12.161 -2.690 1.00 7.54 C ATOM 1587 C SER B 57 11.038 12.919 -3.175 1.00 7.98 C ATOM 1588 O SER B 57 10.722 14.001 -2.676 1.00 8.39 O ATOM 1589 CB SER B 57 13.533 12.732 -3.330 1.00 8.01 C ATOM 1590 OG SER B 57 13.994 11.877 -4.367 1.00 7.91 O ATOM 0 H SER B 57 12.782 10.445 -3.768 1.00 6.96 H new ATOM 0 HA SER B 57 12.326 12.277 -1.608 1.00 7.54 H new ATOM 0 HB2 SER B 57 13.327 13.724 -3.733 1.00 8.01 H new ATOM 0 HB3 SER B 57 14.310 12.849 -2.575 1.00 8.01 H new ATOM 0 HG SER B 57 14.803 12.257 -4.769 1.00 7.91 H new ATOM 1596 N ASP B 58 10.329 12.330 -4.133 1.00 7.94 N ATOM 1597 CA ASP B 58 9.127 12.941 -4.698 1.00 8.36 C ATOM 1598 C ASP B 58 8.021 13.042 -3.658 1.00 8.11 C ATOM 1599 O ASP B 58 7.145 13.902 -3.744 1.00 8.57 O ATOM 1600 CB ASP B 58 8.622 12.137 -5.896 1.00 8.35 C ATOM 1601 CG ASP B 58 9.246 12.580 -7.199 1.00 8.93 C ATOM 1602 OD1 ASP B 58 9.290 13.799 -7.459 1.00 9.53 O ATOM 1603 OD2 ASP B 58 9.695 11.707 -7.972 1.00 8.85 O ATOM 0 H ASP B 58 10.567 11.424 -4.538 1.00 7.94 H new ATOM 0 HA ASP B 58 9.396 13.945 -5.026 1.00 8.36 H new ATOM 0 HB2 ASP B 58 8.836 11.080 -5.736 1.00 8.35 H new ATOM 0 HB3 ASP B 58 7.539 12.236 -5.964 1.00 8.35 H new ATOM 1608 N TYR B 59 8.062 12.152 -2.678 1.00 7.43 N ATOM 1609 CA TYR B 59 7.064 12.138 -1.619 1.00 7.20 C ATOM 1610 C TYR B 59 7.689 12.564 -0.297 1.00 7.19 C ATOM 1611 O TYR B 59 7.071 12.443 0.762 1.00 6.99 O ATOM 1612 CB TYR B 59 6.449 10.744 -1.492 1.00 6.47 C ATOM 1613 CG TYR B 59 5.869 10.224 -2.789 1.00 6.52 C ATOM 1614 CD1 TYR B 59 4.597 10.600 -3.205 1.00 6.55 C ATOM 1615 CD2 TYR B 59 6.594 9.357 -3.597 1.00 6.66 C ATOM 1616 CE1 TYR B 59 4.065 10.127 -4.388 1.00 6.65 C ATOM 1617 CE2 TYR B 59 6.067 8.879 -4.782 1.00 6.81 C ATOM 1618 CZ TYR B 59 4.802 9.267 -5.173 1.00 6.77 C ATOM 1619 OH TYR B 59 4.272 8.789 -6.350 1.00 6.97 O ATOM 0 H TYR B 59 8.777 11.429 -2.594 1.00 7.43 H new ATOM 0 HA TYR B 59 6.275 12.846 -1.873 1.00 7.20 H new ATOM 0 HB2 TYR B 59 7.211 10.049 -1.139 1.00 6.47 H new ATOM 0 HB3 TYR B 59 5.665 10.768 -0.735 1.00 6.47 H new ATOM 0 HD1 TYR B 59 4.015 11.273 -2.593 1.00 6.55 H new ATOM 0 HD2 TYR B 59 7.585 9.052 -3.294 1.00 6.66 H new ATOM 0 HE1 TYR B 59 3.075 10.430 -4.697 1.00 6.65 H new ATOM 0 HE2 TYR B 59 6.643 8.205 -5.399 1.00 6.81 H new ATOM 0 HH TYR B 59 3.509 9.344 -6.614 1.00 6.97 H new ATOM 1629 N ASN B 60 8.922 13.067 -0.378 1.00 7.47 N ATOM 1630 CA ASN B 60 9.669 13.524 0.796 1.00 7.55 C ATOM 1631 C ASN B 60 9.793 12.405 1.832 1.00 6.85 C ATOM 1632 O ASN B 60 9.546 12.602 3.021 1.00 6.88 O ATOM 1633 CB ASN B 60 9.002 14.763 1.412 1.00 8.14 C ATOM 1634 CG ASN B 60 9.835 15.411 2.511 1.00 8.48 C ATOM 1635 OD1 ASN B 60 9.298 15.868 3.523 1.00 8.51 O ATOM 1636 ND2 ASN B 60 11.145 15.472 2.317 1.00 8.82 N ATOM 0 H ASN B 60 9.430 13.169 -1.257 1.00 7.47 H new ATOM 0 HA ASN B 60 10.673 13.800 0.474 1.00 7.55 H new ATOM 0 HB2 ASN B 60 8.816 15.496 0.627 1.00 8.14 H new ATOM 0 HB3 ASN B 60 8.032 14.480 1.820 1.00 8.14 H new ATOM 0 HD21 ASN B 60 11.745 15.908 3.018 1.00 8.82 H new ATOM 0 HD22 ASN B 60 11.553 15.083 1.467 1.00 8.82 H new ATOM 1643 N ILE B 61 10.160 11.220 1.371 1.00 6.28 N ATOM 1644 CA ILE B 61 10.319 10.079 2.260 1.00 5.59 C ATOM 1645 C ILE B 61 11.722 10.067 2.853 1.00 5.56 C ATOM 1646 O ILE B 61 12.701 9.807 2.150 1.00 5.56 O ATOM 1647 CB ILE B 61 10.058 8.746 1.526 1.00 4.98 C ATOM 1648 CG1 ILE B 61 8.689 8.781 0.841 1.00 5.03 C ATOM 1649 CG2 ILE B 61 10.135 7.578 2.501 1.00 4.29 C ATOM 1650 CD1 ILE B 61 8.429 7.598 -0.069 1.00 4.62 C ATOM 0 H ILE B 61 10.353 11.023 0.389 1.00 6.28 H new ATOM 0 HA ILE B 61 9.583 10.179 3.058 1.00 5.59 H new ATOM 0 HB ILE B 61 10.826 8.610 0.765 1.00 4.98 H new ATOM 0 HG12 ILE B 61 7.912 8.817 1.605 1.00 5.03 H new ATOM 0 HG13 ILE B 61 8.608 9.699 0.259 1.00 5.03 H new ATOM 0 HG21 ILE B 61 9.949 6.646 1.968 1.00 4.29 H new ATOM 0 HG22 ILE B 61 11.127 7.546 2.953 1.00 4.29 H new ATOM 0 HG23 ILE B 61 9.385 7.706 3.282 1.00 4.29 H new ATOM 0 HD11 ILE B 61 7.440 7.694 -0.517 1.00 4.62 H new ATOM 0 HD12 ILE B 61 9.183 7.571 -0.856 1.00 4.62 H new ATOM 0 HD13 ILE B 61 8.477 6.676 0.510 1.00 4.62 H new ATOM 1662 N GLN B 62 11.817 10.371 4.140 1.00 5.63 N ATOM 1663 CA GLN B 62 13.103 10.397 4.828 1.00 5.66 C ATOM 1664 C GLN B 62 13.493 8.994 5.281 1.00 5.00 C ATOM 1665 O GLN B 62 12.770 8.028 5.032 1.00 4.51 O ATOM 1666 CB GLN B 62 13.039 11.324 6.041 1.00 6.23 C ATOM 1667 CG GLN B 62 12.518 12.714 5.720 1.00 6.94 C ATOM 1668 CD GLN B 62 12.354 13.577 6.958 1.00 7.54 C ATOM 1669 OE1 GLN B 62 11.465 14.426 7.019 1.00 8.05 O ATOM 1670 NE2 GLN B 62 13.211 13.379 7.946 1.00 7.56 N ATOM 0 H GLN B 62 11.019 10.604 4.731 1.00 5.63 H new ATOM 0 HA GLN B 62 13.854 10.769 4.131 1.00 5.66 H new ATOM 0 HB2 GLN B 62 12.400 10.872 6.799 1.00 6.23 H new ATOM 0 HB3 GLN B 62 14.035 11.410 6.474 1.00 6.23 H new ATOM 0 HG2 GLN B 62 13.203 13.204 5.028 1.00 6.94 H new ATOM 0 HG3 GLN B 62 11.558 12.629 5.211 1.00 6.94 H new ATOM 0 HE21 GLN B 62 13.935 12.665 7.858 1.00 7.56 H new ATOM 0 HE22 GLN B 62 13.148 13.940 8.796 1.00 7.56 H new ATOM 1679 N LYS B 63 14.636 8.883 5.945 1.00 5.05 N ATOM 1680 CA LYS B 63 15.102 7.599 6.449 1.00 4.56 C ATOM 1681 C LYS B 63 14.264 7.186 7.657 1.00 4.55 C ATOM 1682 O LYS B 63 13.611 8.030 8.277 1.00 5.02 O ATOM 1683 CB LYS B 63 16.587 7.669 6.827 1.00 4.73 C ATOM 1684 CG LYS B 63 16.925 8.776 7.814 1.00 5.32 C ATOM 1685 CD LYS B 63 18.401 8.758 8.174 1.00 5.47 C ATOM 1686 CE LYS B 63 18.731 9.783 9.248 1.00 6.08 C ATOM 1687 NZ LYS B 63 17.927 9.579 10.485 1.00 6.18 N ATOM 0 H LYS B 63 15.257 9.667 6.147 1.00 5.05 H new ATOM 0 HA LYS B 63 14.989 6.852 5.663 1.00 4.56 H new ATOM 0 HB2 LYS B 63 16.888 6.712 7.254 1.00 4.73 H new ATOM 0 HB3 LYS B 63 17.175 7.813 5.921 1.00 4.73 H new ATOM 0 HG2 LYS B 63 16.665 9.743 7.383 1.00 5.32 H new ATOM 0 HG3 LYS B 63 16.326 8.657 8.717 1.00 5.32 H new ATOM 0 HD2 LYS B 63 18.678 7.763 8.523 1.00 5.47 H new ATOM 0 HD3 LYS B 63 18.995 8.960 7.283 1.00 5.47 H new ATOM 0 HE2 LYS B 63 19.792 9.723 9.492 1.00 6.08 H new ATOM 0 HE3 LYS B 63 18.550 10.785 8.860 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 18.503 9.820 11.317 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 17.086 10.190 10.457 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 17.630 8.584 10.546 1.00 6.18 H new ATOM 1701 N GLU B 64 14.266 5.887 7.961 1.00 4.12 N ATOM 1702 CA GLU B 64 13.515 5.333 9.092 1.00 4.23 C ATOM 1703 C GLU B 64 12.004 5.398 8.864 1.00 4.21 C ATOM 1704 O GLU B 64 11.225 5.109 9.773 1.00 4.54 O ATOM 1705 CB GLU B 64 13.873 6.045 10.404 1.00 4.87 C ATOM 1706 CG GLU B 64 15.086 5.462 11.114 1.00 4.93 C ATOM 1707 CD GLU B 64 16.393 6.073 10.655 1.00 5.11 C ATOM 1708 OE1 GLU B 64 16.597 7.287 10.876 1.00 5.47 O ATOM 1709 OE2 GLU B 64 17.232 5.335 10.103 1.00 5.06 O ATOM 0 H GLU B 64 14.788 5.189 7.431 1.00 4.12 H new ATOM 0 HA GLU B 64 13.803 4.285 9.170 1.00 4.23 H new ATOM 0 HB2 GLU B 64 14.059 7.098 10.195 1.00 4.87 H new ATOM 0 HB3 GLU B 64 13.016 6.000 11.075 1.00 4.87 H new ATOM 0 HG2 GLU B 64 14.978 5.613 12.188 1.00 4.93 H new ATOM 0 HG3 GLU B 64 15.116 4.386 10.945 1.00 4.93 H new ATOM 1716 N SER B 65 11.587 5.762 7.658 1.00 3.91 N ATOM 1717 CA SER B 65 10.168 5.849 7.347 1.00 3.90 C ATOM 1718 C SER B 65 9.597 4.466 7.053 1.00 3.33 C ATOM 1719 O SER B 65 10.272 3.615 6.466 1.00 2.87 O ATOM 1720 CB SER B 65 9.934 6.779 6.156 1.00 4.00 C ATOM 1721 OG SER B 65 10.526 8.049 6.381 1.00 4.61 O ATOM 0 H SER B 65 12.208 6.000 6.884 1.00 3.91 H new ATOM 0 HA SER B 65 9.655 6.260 8.216 1.00 3.90 H new ATOM 0 HB2 SER B 65 10.352 6.333 5.254 1.00 4.00 H new ATOM 0 HB3 SER B 65 8.864 6.897 5.987 1.00 4.00 H new ATOM 0 HG SER B 65 11.125 8.267 5.637 1.00 4.61 H new ATOM 1727 N THR B 66 8.360 4.251 7.467 1.00 3.44 N ATOM 1728 CA THR B 66 7.696 2.981 7.254 1.00 3.03 C ATOM 1729 C THR B 66 6.621 3.123 6.182 1.00 2.64 C ATOM 1730 O THR B 66 5.686 3.909 6.329 1.00 2.95 O ATOM 1731 CB THR B 66 7.061 2.466 8.560 1.00 3.54 C ATOM 1732 OG1 THR B 66 7.959 2.686 9.658 1.00 4.12 O ATOM 1733 CG2 THR B 66 6.741 0.984 8.459 1.00 3.37 C ATOM 0 H THR B 66 7.794 4.945 7.955 1.00 3.44 H new ATOM 0 HA THR B 66 8.444 2.260 6.923 1.00 3.03 H new ATOM 0 HB THR B 66 6.133 3.013 8.727 1.00 3.54 H new ATOM 0 HG1 THR B 66 7.550 2.358 10.486 1.00 4.12 H new ATOM 0 HG21 THR B 66 6.294 0.644 9.393 1.00 3.37 H new ATOM 0 HG22 THR B 66 6.041 0.818 7.640 1.00 3.37 H new ATOM 0 HG23 THR B 66 7.658 0.426 8.272 1.00 3.37 H new ATOM 1741 N LEU B 67 6.774 2.384 5.093 1.00 2.05 N ATOM 1742 CA LEU B 67 5.815 2.428 3.997 1.00 1.73 C ATOM 1743 C LEU B 67 4.854 1.254 4.105 1.00 1.35 C ATOM 1744 O LEU B 67 5.275 0.131 4.384 1.00 1.37 O ATOM 1745 CB LEU B 67 6.537 2.390 2.645 1.00 1.57 C ATOM 1746 CG LEU B 67 7.722 3.349 2.511 1.00 2.08 C ATOM 1747 CD1 LEU B 67 8.476 3.086 1.217 1.00 2.27 C ATOM 1748 CD2 LEU B 67 7.256 4.797 2.569 1.00 2.73 C ATOM 0 H LEU B 67 7.555 1.745 4.944 1.00 2.05 H new ATOM 0 HA LEU B 67 5.254 3.360 4.063 1.00 1.73 H new ATOM 0 HB2 LEU B 67 6.891 1.374 2.469 1.00 1.57 H new ATOM 0 HB3 LEU B 67 5.816 2.617 1.860 1.00 1.57 H new ATOM 0 HG LEU B 67 8.397 3.174 3.349 1.00 2.08 H new ATOM 0 HD11 LEU B 67 9.315 3.777 1.138 1.00 2.27 H new ATOM 0 HD12 LEU B 67 8.848 2.061 1.214 1.00 2.27 H new ATOM 0 HD13 LEU B 67 7.806 3.231 0.370 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.116 5.460 2.472 1.00 2.73 H new ATOM 0 HD22 LEU B 67 6.557 4.987 1.755 1.00 2.73 H new ATOM 0 HD23 LEU B 67 6.761 4.982 3.522 1.00 2.73 H new ATOM 1760 N HIS B 68 3.572 1.514 3.900 1.00 1.33 N ATOM 1761 CA HIS B 68 2.565 0.466 3.979 1.00 1.10 C ATOM 1762 C HIS B 68 2.452 -0.267 2.653 1.00 0.56 C ATOM 1763 O HIS B 68 2.018 0.298 1.651 1.00 0.78 O ATOM 1764 CB HIS B 68 1.203 1.040 4.373 1.00 1.57 C ATOM 1765 CG HIS B 68 0.944 1.014 5.846 1.00 2.36 C ATOM 1766 ND1 HIS B 68 0.161 1.946 6.489 1.00 2.80 N ATOM 1767 CD2 HIS B 68 1.364 0.155 6.805 1.00 3.18 C ATOM 1768 CE1 HIS B 68 0.110 1.664 7.776 1.00 3.58 C ATOM 1769 NE2 HIS B 68 0.830 0.580 7.996 1.00 3.83 N ATOM 0 H HIS B 68 3.204 2.439 3.678 1.00 1.33 H new ATOM 0 HA HIS B 68 2.879 -0.239 4.749 1.00 1.10 H new ATOM 0 HB2 HIS B 68 1.136 2.069 4.019 1.00 1.57 H new ATOM 0 HB3 HIS B 68 0.420 0.477 3.865 1.00 1.57 H new ATOM 0 HD2 HIS B 68 2.001 -0.705 6.660 1.00 3.18 H new ATOM 0 HE1 HIS B 68 -0.430 2.225 8.524 1.00 3.58 H new ATOM 0 HE2 HIS B 68 0.967 0.132 8.902 1.00 3.83 H new ATOM 1778 N LEU B 69 2.851 -1.524 2.655 1.00 0.85 N ATOM 1779 CA LEU B 69 2.801 -2.338 1.456 1.00 1.28 C ATOM 1780 C LEU B 69 1.523 -3.165 1.433 1.00 1.50 C ATOM 1781 O LEU B 69 1.387 -4.146 2.167 1.00 1.96 O ATOM 1782 CB LEU B 69 4.035 -3.246 1.383 1.00 1.92 C ATOM 1783 CG LEU B 69 4.115 -4.154 0.154 1.00 2.60 C ATOM 1784 CD1 LEU B 69 4.163 -3.328 -1.121 1.00 2.68 C ATOM 1785 CD2 LEU B 69 5.331 -5.061 0.246 1.00 3.24 C ATOM 0 H LEU B 69 3.215 -2.005 3.477 1.00 0.85 H new ATOM 0 HA LEU B 69 2.802 -1.683 0.584 1.00 1.28 H new ATOM 0 HB2 LEU B 69 4.927 -2.620 1.409 1.00 1.92 H new ATOM 0 HB3 LEU B 69 4.058 -3.870 2.276 1.00 1.92 H new ATOM 0 HG LEU B 69 3.219 -4.775 0.125 1.00 2.60 H new ATOM 0 HD11 LEU B 69 4.220 -3.993 -1.983 1.00 2.68 H new ATOM 0 HD12 LEU B 69 3.263 -2.717 -1.193 1.00 2.68 H new ATOM 0 HD13 LEU B 69 5.040 -2.682 -1.103 1.00 2.68 H new ATOM 0 HD21 LEU B 69 5.375 -5.701 -0.635 1.00 3.24 H new ATOM 0 HD22 LEU B 69 6.235 -4.454 0.299 1.00 3.24 H new ATOM 0 HD23 LEU B 69 5.257 -5.679 1.141 1.00 3.24 H new ATOM 1797 N VAL B 70 0.575 -2.744 0.615 1.00 1.39 N ATOM 1798 CA VAL B 70 -0.686 -3.449 0.487 1.00 1.60 C ATOM 1799 C VAL B 70 -0.620 -4.413 -0.689 1.00 2.32 C ATOM 1800 O VAL B 70 -0.468 -3.997 -1.836 1.00 2.64 O ATOM 1801 CB VAL B 70 -1.874 -2.478 0.300 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.193 -3.235 0.305 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -1.866 -1.409 1.382 1.00 0.88 C ATOM 0 H VAL B 70 0.656 -1.914 0.028 1.00 1.39 H new ATOM 0 HA VAL B 70 -0.852 -4.001 1.412 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.766 -1.988 -0.668 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -4.016 -2.533 0.172 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -3.200 -3.960 -0.509 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -3.310 -3.756 1.255 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.710 -0.735 1.234 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -1.947 -1.882 2.361 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -0.936 -0.843 1.328 1.00 0.88 H new ATOM 1813 N LEU B 71 -0.705 -5.698 -0.393 1.00 2.72 N ATOM 1814 CA LEU B 71 -0.648 -6.728 -1.420 1.00 3.42 C ATOM 1815 C LEU B 71 -2.013 -6.926 -2.058 1.00 3.52 C ATOM 1816 O LEU B 71 -2.935 -7.430 -1.423 1.00 3.46 O ATOM 1817 CB LEU B 71 -0.163 -8.055 -0.822 1.00 3.93 C ATOM 1818 CG LEU B 71 1.348 -8.284 -0.854 1.00 4.27 C ATOM 1819 CD1 LEU B 71 2.067 -7.267 0.017 1.00 4.40 C ATOM 1820 CD2 LEU B 71 1.677 -9.701 -0.411 1.00 4.99 C ATOM 0 H LEU B 71 -0.814 -6.056 0.556 1.00 2.72 H new ATOM 0 HA LEU B 71 0.056 -6.402 -2.186 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -0.498 -8.110 0.214 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -0.647 -8.872 -1.357 1.00 3.93 H new ATOM 0 HG LEU B 71 1.694 -8.153 -1.879 1.00 4.27 H new ATOM 0 HD11 LEU B 71 3.141 -7.450 -0.021 1.00 4.40 H new ATOM 0 HD12 LEU B 71 1.857 -6.262 -0.348 1.00 4.40 H new ATOM 0 HD13 LEU B 71 1.720 -7.359 1.046 1.00 4.40 H new ATOM 0 HD21 LEU B 71 2.756 -9.850 -0.439 1.00 4.99 H new ATOM 0 HD22 LEU B 71 1.315 -9.858 0.605 1.00 4.99 H new ATOM 0 HD23 LEU B 71 1.195 -10.413 -1.081 1.00 4.99 H new ATOM 1832 N ARG B 72 -2.144 -6.513 -3.309 1.00 3.80 N ATOM 1833 CA ARG B 72 -3.399 -6.669 -4.027 1.00 4.03 C ATOM 1834 C ARG B 72 -3.479 -8.069 -4.627 1.00 4.67 C ATOM 1835 O ARG B 72 -2.936 -8.330 -5.701 1.00 5.21 O ATOM 1836 CB ARG B 72 -3.527 -5.615 -5.124 1.00 4.25 C ATOM 1837 CG ARG B 72 -4.930 -5.508 -5.702 1.00 4.52 C ATOM 1838 CD ARG B 72 -4.919 -4.861 -7.078 1.00 4.87 C ATOM 1839 NE ARG B 72 -4.412 -5.771 -8.106 1.00 5.41 N ATOM 1840 CZ ARG B 72 -3.230 -5.639 -8.711 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -2.425 -4.631 -8.395 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -2.860 -6.519 -9.636 1.00 6.44 N ATOM 0 H ARG B 72 -1.400 -6.069 -3.846 1.00 3.80 H new ATOM 0 HA ARG B 72 -4.223 -6.533 -3.326 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -3.234 -4.646 -4.721 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -2.829 -5.851 -5.927 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -5.373 -6.501 -5.770 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -5.558 -4.924 -5.029 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -5.929 -4.546 -7.339 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -4.302 -3.963 -7.052 1.00 4.87 H new ATOM 0 HE ARG B 72 -5.001 -6.558 -8.378 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -2.709 -3.954 -7.687 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -1.522 -4.534 -8.860 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -3.479 -7.292 -9.881 1.00 6.44 H new ATOM 0 HH22 ARG B 72 -1.957 -6.421 -10.101 1.00 6.44 H new ATOM 1856 N LEU B 73 -4.138 -8.971 -3.918 1.00 4.67 N ATOM 1857 CA LEU B 73 -4.276 -10.348 -4.372 1.00 5.30 C ATOM 1858 C LEU B 73 -5.488 -10.526 -5.280 1.00 5.53 C ATOM 1859 O LEU B 73 -6.182 -9.563 -5.621 1.00 5.25 O ATOM 1860 CB LEU B 73 -4.387 -11.294 -3.173 1.00 5.36 C ATOM 1861 CG LEU B 73 -3.078 -11.947 -2.724 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -2.149 -10.920 -2.096 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -3.363 -13.076 -1.748 1.00 6.22 C ATOM 0 H LEU B 73 -4.587 -8.775 -3.023 1.00 4.67 H new ATOM 0 HA LEU B 73 -3.384 -10.592 -4.949 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -4.803 -10.739 -2.332 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -5.100 -12.081 -3.419 1.00 5.36 H new ATOM 0 HG LEU B 73 -2.581 -12.360 -3.601 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -1.225 -11.407 -1.785 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -1.921 -10.142 -2.825 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -2.634 -10.473 -1.228 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -2.424 -13.533 -1.436 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -3.882 -12.680 -0.875 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -3.988 -13.826 -2.232 1.00 6.22 H new ATOM 1875 N ARG B 74 -5.722 -11.765 -5.679 1.00 6.12 N ATOM 1876 CA ARG B 74 -6.839 -12.108 -6.538 1.00 6.46 C ATOM 1877 C ARG B 74 -7.625 -13.258 -5.923 1.00 6.87 C ATOM 1878 O ARG B 74 -7.414 -14.421 -6.268 1.00 7.38 O ATOM 1879 CB ARG B 74 -6.348 -12.498 -7.936 1.00 6.96 C ATOM 1880 CG ARG B 74 -5.675 -11.362 -8.695 1.00 7.09 C ATOM 1881 CD ARG B 74 -5.131 -11.825 -10.040 1.00 7.58 C ATOM 1882 NE ARG B 74 -6.196 -12.206 -10.967 1.00 8.13 N ATOM 1883 CZ ARG B 74 -5.993 -12.846 -12.118 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -4.759 -13.165 -12.495 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -7.022 -13.158 -12.896 1.00 9.16 N ATOM 0 H ARG B 74 -5.141 -12.561 -5.415 1.00 6.12 H new ATOM 0 HA ARG B 74 -7.487 -11.236 -6.632 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -5.646 -13.327 -7.845 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -7.195 -12.860 -8.519 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -6.391 -10.555 -8.851 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -4.861 -10.955 -8.094 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -4.535 -11.027 -10.483 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -4.464 -12.674 -9.887 1.00 7.58 H new ATOM 0 HE ARG B 74 -7.155 -11.967 -10.717 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -3.965 -12.920 -11.903 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -4.606 -13.655 -13.376 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -7.970 -12.908 -12.613 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -6.865 -13.648 -13.777 1.00 9.16 H new ATOM 1899 N GLY B 75 -8.504 -12.933 -4.986 1.00 6.78 N ATOM 1900 CA GLY B 75 -9.302 -13.951 -4.333 1.00 7.22 C ATOM 1901 C GLY B 75 -10.719 -13.487 -4.067 1.00 7.03 C ATOM 1902 O GLY B 75 -11.095 -13.237 -2.921 1.00 7.21 O ATOM 0 H GLY B 75 -8.679 -11.981 -4.666 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -9.326 -14.846 -4.955 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -8.831 -14.230 -3.391 1.00 7.22 H new ATOM 1906 N GLY B 76 -11.503 -13.361 -5.125 1.00 6.90 N ATOM 1907 CA GLY B 76 -12.876 -12.926 -4.985 1.00 6.84 C ATOM 1908 C GLY B 76 -13.380 -12.283 -6.253 1.00 7.02 C ATOM 1909 O GLY B 76 -14.461 -11.666 -6.227 1.00 7.18 O ATOM 1910 OXT GLY B 76 -12.682 -12.390 -7.284 1.00 7.20 O ATOM 0 H GLY B 76 -11.211 -13.553 -6.083 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -13.506 -13.779 -4.732 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -12.953 -12.218 -4.160 1.00 6.84 H new TER 1914 GLY B 76