USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1214 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 75 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 77 MET CE :methyl -156:sc= -0.176 (180deg=-1.18) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 MET CE :methyl -156:sc= -0.163 (180deg=-1.21) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.574 (180deg=-1.96!) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0 (180deg=-0.549) USER MOD Single : A 3 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.981) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -2.39! (180deg=-4.98!) USER MOD Single : A 9 SER OG : rot -7:sc= 0.881 USER MOD Single : A 10 GLN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 29 ASN : amide:sc= -4.35! C(o=-4.3!,f=-9.8!) USER MOD Single : A 31 GLN : amide:sc= -9.56! C(o=-9.6!,f=-14!) USER MOD Single : A 33 CYS SG : rot -26:sc= -14.5! USER MOD Single : A 34 TYR OH : rot 180:sc=-0.00414 USER MOD Single : A 39 ASN : amide:sc= -5.24! C(o=-5.2!,f=-6!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -120:sc= -0.492 USER MOD Single : A 53 GLN : amide:sc= -0.823 K(o=-0.82,f=-4.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 18:sc= 0.306 USER MOD Single : A 62 THR OG1 : rot 44:sc= 0.225! USER MOD Single : A 64 HIS : no HD1:sc= -0.56 K(o=-0.56,f=-3.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -140:sc= -1.51 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -5.22! C(o=-5.2!,f=-2.5!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -154:sc= -0.548 (180deg=-1.91!) USER MOD Single : B 1 MET N :NH3+ 157:sc= 0 (180deg=-0.454) USER MOD Single : B 3 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.992) USER MOD Single : B 7 LYS NZ :NH3+ 134:sc= -2.38! (180deg=-4.95!) USER MOD Single : B 9 SER OG : rot -3:sc= 1.1 USER MOD Single : B 10 GLN : amide:sc= -3.76! C(o=-3.8!,f=-11!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : B 29 ASN : amide:sc= -4.1! C(o=-4.1!,f=-10!) USER MOD Single : B 31 GLN : amide:sc= -9.85! C(o=-9.9!,f=-14!) USER MOD Single : B 33 CYS SG : rot -28:sc= -14.5! USER MOD Single : B 34 TYR OH : rot 180:sc=-0.00182 USER MOD Single : B 39 ASN : amide:sc= -5.53! C(o=-5.5!,f=-6.4!) USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -120:sc= -0.482 USER MOD Single : B 53 GLN : amide:sc= -0.806 K(o=-0.81,f=-4.2!) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 61 TYR OH : rot 15:sc= 0.448 USER MOD Single : B 62 THR OG1 : rot 47:sc= 0.115! USER MOD Single : B 64 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-3.8!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -148:sc= -1.42 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -5.24! C(o=-5.2!,f=-2.4!) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.074 17.313 2.981 1.00 42.32 N ATOM 2 CA MET A 1 -1.691 17.056 3.473 1.00 40.89 C ATOM 3 C MET A 1 -1.728 15.991 4.568 1.00 34.75 C ATOM 4 O MET A 1 -2.349 16.168 5.597 1.00 33.97 O ATOM 5 CB MET A 1 -1.101 18.347 4.048 1.00 48.45 C ATOM 6 CG MET A 1 0.249 18.049 4.713 1.00 56.13 C ATOM 7 SD MET A 1 1.539 19.042 3.923 1.00 64.91 S ATOM 8 CE MET A 1 1.273 18.455 2.232 1.00 63.43 C ATOM 0 H1 MET A 1 -3.128 18.272 2.581 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.316 16.617 2.247 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.745 17.230 3.771 1.00 42.32 H new ATOM 0 HA MET A 1 -1.074 16.710 2.644 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.972 19.084 3.255 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.788 18.779 4.776 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.201 18.276 5.778 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.485 16.989 4.624 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.187 18.587 1.653 1.00 63.43 H new ATOM 0 HE2 MET A 1 1.005 17.399 2.251 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.466 19.025 1.771 1.00 63.43 H new ATOM 20 N ILE A 2 -1.055 14.893 4.364 1.00 28.59 N ATOM 21 CA ILE A 2 -1.040 13.830 5.407 1.00 24.58 C ATOM 22 C ILE A 2 -0.397 14.410 6.664 1.00 19.29 C ATOM 23 O ILE A 2 0.780 14.246 6.911 1.00 19.53 O ATOM 24 CB ILE A 2 -0.231 12.639 4.904 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.666 12.299 3.482 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.482 11.432 5.802 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.569 12.014 2.639 1.00 33.80 C ATOM 0 H ILE A 2 -0.516 14.686 3.523 1.00 28.59 H new ATOM 0 HA ILE A 2 -2.053 13.494 5.629 1.00 24.58 H new ATOM 0 HB ILE A 2 0.829 12.891 4.919 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.326 11.431 3.488 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.231 13.127 3.053 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.097 10.583 5.440 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.180 11.669 6.822 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.543 11.181 5.786 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.266 11.770 1.621 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.211 12.894 2.625 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.115 11.173 3.066 1.00 33.80 H new ATOM 39 N LYS A 3 -1.165 15.122 7.438 1.00 18.14 N ATOM 40 CA LYS A 3 -0.621 15.768 8.664 1.00 16.66 C ATOM 41 C LYS A 3 0.058 14.754 9.575 1.00 14.94 C ATOM 42 O LYS A 3 -0.207 13.570 9.526 1.00 13.94 O ATOM 43 CB LYS A 3 -1.757 16.452 9.424 1.00 16.94 C ATOM 44 CG LYS A 3 -1.784 17.941 9.076 1.00 17.85 C ATOM 45 CD LYS A 3 -1.899 18.762 10.361 1.00 19.63 C ATOM 46 CE LYS A 3 -1.776 20.250 10.030 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.799 21.044 11.290 1.00 32.72 N ATOM 0 H LYS A 3 -2.158 15.286 7.272 1.00 18.14 H new ATOM 0 HA LYS A 3 0.125 16.502 8.358 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.710 15.991 9.166 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.620 16.322 10.497 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.878 18.216 8.536 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -2.625 18.156 8.417 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.855 18.565 10.847 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -1.118 18.469 11.063 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.850 20.437 9.487 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -2.595 20.557 9.379 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.564 21.747 11.243 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.961 20.409 12.098 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.888 21.531 11.410 1.00 32.72 H new ATOM 61 N VAL A 4 0.939 15.233 10.412 1.00 12.42 N ATOM 62 CA VAL A 4 1.662 14.336 11.344 1.00 12.99 C ATOM 63 C VAL A 4 2.254 15.153 12.494 1.00 14.26 C ATOM 64 O VAL A 4 2.332 16.365 12.443 1.00 13.80 O ATOM 65 CB VAL A 4 2.797 13.627 10.601 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.559 12.717 11.567 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.233 12.792 9.449 1.00 10.41 C ATOM 0 H VAL A 4 1.188 16.219 10.486 1.00 12.42 H new ATOM 0 HA VAL A 4 0.963 13.599 11.739 1.00 12.99 H new ATOM 0 HB VAL A 4 3.476 14.378 10.197 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.366 12.214 11.034 1.00 14.46 H new ATOM 0 HG12 VAL A 4 3.977 13.315 12.377 1.00 14.46 H new ATOM 0 HG13 VAL A 4 2.878 11.973 11.979 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.050 12.292 8.928 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.544 12.045 9.844 1.00 10.41 H new ATOM 0 HG23 VAL A 4 1.703 13.443 8.753 1.00 10.41 H new ATOM 77 N GLU A 5 2.673 14.484 13.528 1.00 9.27 N ATOM 78 CA GLU A 5 3.270 15.177 14.700 1.00 10.51 C ATOM 79 C GLU A 5 4.245 14.230 15.379 1.00 10.00 C ATOM 80 O GLU A 5 3.861 13.295 16.049 1.00 10.96 O ATOM 81 CB GLU A 5 2.168 15.563 15.683 1.00 10.42 C ATOM 82 CG GLU A 5 1.544 16.880 15.235 1.00 18.68 C ATOM 83 CD GLU A 5 0.333 17.200 16.114 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.405 16.943 17.304 1.00 22.12 O ATOM 85 OE2 GLU A 5 -0.647 17.695 15.581 1.00 19.38 O ATOM 0 H GLU A 5 2.626 13.469 13.612 1.00 9.27 H new ATOM 0 HA GLU A 5 3.789 16.078 14.374 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.409 14.781 15.724 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.578 15.663 16.688 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.278 17.683 15.303 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.240 16.813 14.190 1.00 18.68 H new ATOM 92 N ILE A 6 5.507 14.462 15.211 1.00 9.86 N ATOM 93 CA ILE A 6 6.500 13.562 15.860 1.00 10.60 C ATOM 94 C ILE A 6 6.516 13.872 17.365 1.00 10.16 C ATOM 95 O ILE A 6 7.047 14.875 17.799 1.00 11.64 O ATOM 96 CB ILE A 6 7.892 13.748 15.209 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.164 12.561 14.280 1.00 14.23 C ATOM 98 CG2 ILE A 6 8.990 13.804 16.270 1.00 12.29 C ATOM 99 CD1 ILE A 6 7.902 12.966 12.828 1.00 13.81 C ATOM 0 H ILE A 6 5.898 15.226 14.659 1.00 9.86 H new ATOM 0 HA ILE A 6 6.226 12.516 15.721 1.00 10.60 H new ATOM 0 HB ILE A 6 7.895 14.686 14.654 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.196 12.228 14.393 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.526 11.720 14.553 1.00 14.23 H new ATOM 0 HG21 ILE A 6 9.958 13.935 15.786 1.00 12.29 H new ATOM 0 HG22 ILE A 6 8.804 14.642 16.942 1.00 12.29 H new ATOM 0 HG23 ILE A 6 8.993 12.875 16.840 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.097 12.117 12.173 1.00 13.81 H new ATOM 0 HD12 ILE A 6 6.863 13.277 12.719 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.559 13.793 12.557 1.00 13.81 H new ATOM 111 N LYS A 7 5.916 13.019 18.158 1.00 11.63 N ATOM 112 CA LYS A 7 5.867 13.255 19.627 1.00 11.59 C ATOM 113 C LYS A 7 7.260 13.626 20.144 1.00 12.98 C ATOM 114 O LYS A 7 8.230 13.553 19.415 1.00 9.79 O ATOM 115 CB LYS A 7 5.373 11.977 20.310 1.00 12.52 C ATOM 116 CG LYS A 7 3.905 12.140 20.731 1.00 14.26 C ATOM 117 CD LYS A 7 3.104 12.837 19.626 1.00 15.70 C ATOM 118 CE LYS A 7 2.605 14.191 20.134 1.00 19.19 C ATOM 119 NZ LYS A 7 3.397 15.284 19.504 1.00 25.43 N ATOM 0 H LYS A 7 5.456 12.164 17.845 1.00 11.63 H new ATOM 0 HA LYS A 7 5.188 14.078 19.850 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.473 11.130 19.631 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.988 11.760 21.183 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.470 11.163 20.942 1.00 14.26 H new ATOM 0 HG3 LYS A 7 3.847 12.720 21.652 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.727 12.975 18.743 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.260 12.215 19.327 1.00 15.70 H new ATOM 0 HE2 LYS A 7 1.548 14.312 19.898 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.697 14.240 21.219 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 2.779 16.100 19.322 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.166 15.568 20.143 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 3.800 14.948 18.606 1.00 25.43 H new ATOM 133 N PRO A 8 7.314 14.019 21.393 1.00 13.56 N ATOM 134 CA PRO A 8 8.575 14.418 22.043 1.00 11.93 C ATOM 135 C PRO A 8 9.407 13.184 22.382 1.00 10.20 C ATOM 136 O PRO A 8 10.617 13.241 22.481 1.00 12.05 O ATOM 137 CB PRO A 8 8.114 15.148 23.308 1.00 12.78 C ATOM 138 CG PRO A 8 6.678 14.651 23.599 1.00 12.51 C ATOM 139 CD PRO A 8 6.128 14.097 22.271 1.00 13.61 C ATOM 0 HA PRO A 8 9.209 15.043 21.414 1.00 11.93 H new ATOM 0 HB2 PRO A 8 8.777 14.931 24.145 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.129 16.228 23.161 1.00 12.78 H new ATOM 0 HG2 PRO A 8 6.683 13.879 24.369 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.053 15.465 23.968 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.668 13.118 22.408 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.364 14.752 21.852 1.00 13.61 H new ATOM 147 N SER A 9 8.766 12.065 22.541 1.00 10.65 N ATOM 148 CA SER A 9 9.509 10.816 22.853 1.00 10.83 C ATOM 149 C SER A 9 9.821 10.086 21.546 1.00 10.94 C ATOM 150 O SER A 9 10.420 9.028 21.541 1.00 13.16 O ATOM 151 CB SER A 9 8.656 9.920 23.751 1.00 13.01 C ATOM 152 OG SER A 9 9.239 8.625 23.811 1.00 15.52 O ATOM 0 H SER A 9 7.754 11.960 22.468 1.00 10.65 H new ATOM 0 HA SER A 9 10.437 11.059 23.371 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.588 10.347 24.751 1.00 13.01 H new ATOM 0 HB3 SER A 9 7.640 9.856 23.361 1.00 13.01 H new ATOM 0 HG SER A 9 9.986 8.573 23.179 1.00 15.52 H new ATOM 158 N GLN A 10 9.425 10.648 20.435 1.00 10.02 N ATOM 159 CA GLN A 10 9.700 9.997 19.129 1.00 11.55 C ATOM 160 C GLN A 10 10.620 10.900 18.309 1.00 13.72 C ATOM 161 O GLN A 10 10.412 11.108 17.132 1.00 17.31 O ATOM 162 CB GLN A 10 8.391 9.788 18.372 1.00 6.60 C ATOM 163 CG GLN A 10 7.317 9.316 19.346 1.00 7.20 C ATOM 164 CD GLN A 10 7.550 7.844 19.692 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.600 7.301 19.413 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.607 7.170 20.293 1.00 4.80 N ATOM 0 H GLN A 10 8.921 11.533 20.380 1.00 10.02 H new ATOM 0 HA GLN A 10 10.177 9.031 19.295 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.082 10.717 17.894 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.529 9.052 17.580 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.342 9.921 20.252 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.329 9.444 18.904 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.725 7.625 20.528 1.00 4.80 H new ATOM 0 HE22 GLN A 10 6.752 6.188 20.528 1.00 4.80 H new ATOM 175 N ALA A 11 11.624 11.458 18.926 1.00 15.28 N ATOM 176 CA ALA A 11 12.543 12.362 18.175 1.00 18.95 C ATOM 177 C ALA A 11 13.901 11.685 17.966 1.00 20.75 C ATOM 178 O ALA A 11 14.852 12.307 17.537 1.00 24.78 O ATOM 179 CB ALA A 11 12.737 13.658 18.962 1.00 17.72 C ATOM 0 H ALA A 11 11.848 11.329 19.913 1.00 15.28 H new ATOM 0 HA ALA A 11 12.104 12.583 17.202 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.408 14.319 18.414 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.774 14.150 19.097 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.168 13.431 19.937 1.00 17.72 H new ATOM 185 N GLN A 12 14.002 10.419 18.262 1.00 22.50 N ATOM 186 CA GLN A 12 15.295 9.714 18.076 1.00 25.43 C ATOM 187 C GLN A 12 15.028 8.342 17.439 1.00 22.80 C ATOM 188 O GLN A 12 14.140 7.622 17.851 1.00 20.93 O ATOM 189 CB GLN A 12 15.969 9.550 19.447 1.00 30.18 C ATOM 190 CG GLN A 12 16.821 8.283 19.464 1.00 42.11 C ATOM 191 CD GLN A 12 17.998 8.462 20.425 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.896 8.150 21.595 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.121 8.953 19.976 1.00 47.90 N ATOM 0 H GLN A 12 13.242 9.844 18.625 1.00 22.50 H new ATOM 0 HA GLN A 12 15.954 10.284 17.421 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.591 10.419 19.661 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.212 9.499 20.229 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.215 7.431 19.771 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.188 8.068 18.461 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.207 9.215 18.994 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.913 9.075 20.607 1.00 47.90 H new ATOM 202 N PHE A 13 15.788 7.972 16.441 1.00 21.61 N ATOM 203 CA PHE A 13 15.574 6.656 15.793 1.00 20.51 C ATOM 204 C PHE A 13 16.369 5.584 16.529 1.00 18.83 C ATOM 205 O PHE A 13 17.127 5.866 17.436 1.00 18.83 O ATOM 206 CB PHE A 13 16.066 6.734 14.354 1.00 19.56 C ATOM 207 CG PHE A 13 17.482 7.264 14.363 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.550 6.397 14.619 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.725 8.623 14.128 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.860 6.889 14.637 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.034 9.115 14.148 1.00 14.07 C ATOM 212 CZ PHE A 13 20.101 8.249 14.402 1.00 18.48 C ATOM 0 H PHE A 13 16.547 8.530 16.050 1.00 21.61 H new ATOM 0 HA PHE A 13 14.514 6.404 15.820 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.032 5.749 13.888 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.420 7.387 13.767 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.364 5.349 14.803 1.00 20.50 H new ATOM 0 HD2 PHE A 13 16.900 9.292 13.931 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.685 6.220 14.832 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.220 10.163 13.967 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.112 8.628 14.417 1.00 18.48 H new ATOM 222 N THR A 14 16.212 4.355 16.132 1.00 14.89 N ATOM 223 CA THR A 14 16.966 3.257 16.789 1.00 13.37 C ATOM 224 C THR A 14 17.479 2.299 15.716 1.00 11.97 C ATOM 225 O THR A 14 16.895 2.167 14.659 1.00 10.76 O ATOM 226 CB THR A 14 16.049 2.501 17.752 1.00 13.68 C ATOM 227 OG1 THR A 14 15.639 3.372 18.797 1.00 13.48 O ATOM 228 CG2 THR A 14 16.803 1.310 18.342 1.00 9.24 C ATOM 0 H THR A 14 15.591 4.063 15.377 1.00 14.89 H new ATOM 0 HA THR A 14 17.804 3.672 17.349 1.00 13.37 H new ATOM 0 HB THR A 14 15.171 2.143 17.215 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.050 2.889 19.414 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.151 0.770 19.029 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.116 0.643 17.539 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.681 1.666 18.880 1.00 9.24 H new ATOM 236 N THR A 15 18.567 1.634 15.973 1.00 13.20 N ATOM 237 CA THR A 15 19.113 0.691 14.959 1.00 12.54 C ATOM 238 C THR A 15 18.460 -0.681 15.136 1.00 14.34 C ATOM 239 O THR A 15 18.604 -1.321 16.158 1.00 17.35 O ATOM 240 CB THR A 15 20.628 0.564 15.140 1.00 11.88 C ATOM 241 OG1 THR A 15 21.091 1.604 15.991 1.00 17.15 O ATOM 242 CG2 THR A 15 21.315 0.671 13.778 1.00 8.30 C ATOM 0 H THR A 15 19.102 1.701 16.839 1.00 13.20 H new ATOM 0 HA THR A 15 18.899 1.069 13.959 1.00 12.54 H new ATOM 0 HB THR A 15 20.862 -0.402 15.588 1.00 11.88 H new ATOM 0 HG1 THR A 15 22.060 1.523 16.109 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.394 0.581 13.906 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.959 -0.128 13.127 1.00 8.30 H new ATOM 0 HG23 THR A 15 21.083 1.636 13.328 1.00 8.30 H new ATOM 435 N LEU A 28 19.222 -0.413 9.665 1.00 18.57 N ATOM 436 CA LEU A 28 18.844 1.003 9.399 1.00 16.31 C ATOM 437 C LEU A 28 18.309 1.650 10.677 1.00 14.21 C ATOM 438 O LEU A 28 18.049 0.988 11.662 1.00 16.97 O ATOM 439 CB LEU A 28 17.768 1.046 8.314 1.00 16.48 C ATOM 440 CG LEU A 28 17.989 2.268 7.422 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.142 1.817 5.968 1.00 24.00 C ATOM 442 CD2 LEU A 28 16.789 3.210 7.543 1.00 22.01 C ATOM 0 HA LEU A 28 19.724 1.552 9.064 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.803 0.135 7.716 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.779 1.090 8.770 1.00 16.48 H new ATOM 0 HG LEU A 28 18.893 2.790 7.736 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.300 2.688 5.332 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.997 1.146 5.883 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.239 1.295 5.652 1.00 24.00 H new ATOM 0 HD21 LEU A 28 16.945 4.082 6.908 1.00 22.01 H new ATOM 0 HD22 LEU A 28 15.885 2.689 7.229 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.681 3.531 8.579 1.00 22.01 H new ATOM 454 N ASN A 29 18.143 2.944 10.663 1.00 11.64 N ATOM 455 CA ASN A 29 17.623 3.648 11.871 1.00 9.77 C ATOM 456 C ASN A 29 16.124 3.900 11.694 1.00 7.94 C ATOM 457 O ASN A 29 15.699 4.521 10.741 1.00 10.52 O ATOM 458 CB ASN A 29 18.351 4.990 12.078 1.00 14.73 C ATOM 459 CG ASN A 29 19.169 5.377 10.837 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.843 4.554 10.250 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.150 6.614 10.422 1.00 12.89 N ATOM 0 H ASN A 29 18.345 3.546 9.865 1.00 11.64 H new ATOM 0 HA ASN A 29 17.798 3.024 12.747 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.623 5.772 12.295 1.00 14.73 H new ATOM 0 HB3 ASN A 29 19.010 4.919 12.943 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.700 6.887 9.607 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.585 7.308 10.912 1.00 12.89 H new ATOM 468 N GLU A 30 15.318 3.415 12.601 1.00 8.58 N ATOM 469 CA GLU A 30 13.845 3.620 12.477 1.00 13.16 C ATOM 470 C GLU A 30 13.366 4.612 13.540 1.00 12.26 C ATOM 471 O GLU A 30 13.997 4.796 14.562 1.00 10.58 O ATOM 472 CB GLU A 30 13.129 2.282 12.672 1.00 14.93 C ATOM 473 CG GLU A 30 13.278 1.433 11.408 1.00 27.13 C ATOM 474 CD GLU A 30 11.953 0.730 11.105 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.610 -0.185 11.835 1.00 40.03 O ATOM 476 OE2 GLU A 30 11.305 1.118 10.147 1.00 38.01 O ATOM 0 H GLU A 30 15.615 2.887 13.421 1.00 8.58 H new ATOM 0 HA GLU A 30 13.620 4.018 11.488 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.549 1.754 13.528 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.074 2.450 12.887 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.568 2.062 10.567 1.00 27.13 H new ATOM 0 HG3 GLU A 30 14.070 0.696 11.543 1.00 27.13 H new ATOM 483 N GLN A 31 12.250 5.251 13.307 1.00 10.34 N ATOM 484 CA GLN A 31 11.725 6.228 14.303 1.00 9.46 C ATOM 485 C GLN A 31 10.200 6.108 14.379 1.00 10.09 C ATOM 486 O GLN A 31 9.607 5.225 13.791 1.00 9.36 O ATOM 487 CB GLN A 31 12.109 7.650 13.876 1.00 7.25 C ATOM 488 CG GLN A 31 12.552 8.452 15.100 1.00 10.62 C ATOM 489 CD GLN A 31 11.514 9.536 15.386 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.406 9.238 15.782 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.825 10.790 15.194 1.00 12.39 N ATOM 0 H GLN A 31 11.680 5.138 12.469 1.00 10.34 H new ATOM 0 HA GLN A 31 12.154 6.017 15.282 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.913 7.615 13.141 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.260 8.138 13.397 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.657 7.795 15.963 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.528 8.903 14.922 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.756 11.039 14.861 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.136 11.520 15.377 1.00 12.39 H new ATOM 500 N LEU A 32 9.560 6.990 15.099 1.00 6.80 N ATOM 501 CA LEU A 32 8.074 6.927 15.212 1.00 10.34 C ATOM 502 C LEU A 32 7.487 8.327 15.013 1.00 9.02 C ATOM 503 O LEU A 32 8.165 9.322 15.176 1.00 11.15 O ATOM 504 CB LEU A 32 7.690 6.401 16.597 1.00 10.20 C ATOM 505 CG LEU A 32 8.195 4.966 16.758 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.534 4.976 17.498 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.173 4.154 17.559 1.00 15.89 C ATOM 0 H LEU A 32 10.002 7.752 15.614 1.00 6.80 H new ATOM 0 HA LEU A 32 7.679 6.257 14.448 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.119 7.037 17.371 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.608 6.433 16.722 1.00 10.20 H new ATOM 0 HG LEU A 32 8.328 4.514 15.775 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.894 3.954 17.613 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.261 5.555 16.928 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.403 5.427 18.482 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.531 3.131 17.675 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.040 4.605 18.542 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.219 4.147 17.031 1.00 15.89 H new ATOM 519 N CYS A 33 6.231 8.416 14.666 1.00 9.68 N ATOM 520 CA CYS A 33 5.600 9.748 14.459 1.00 8.10 C ATOM 521 C CYS A 33 4.096 9.605 14.674 1.00 6.34 C ATOM 522 O CYS A 33 3.598 8.524 14.907 1.00 8.02 O ATOM 523 CB CYS A 33 5.857 10.245 13.029 1.00 8.88 C ATOM 524 SG CYS A 33 7.598 10.011 12.587 1.00 13.84 S ATOM 0 H CYS A 33 5.613 7.618 14.517 1.00 9.68 H new ATOM 0 HA CYS A 33 6.025 10.465 15.161 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.221 9.704 12.329 1.00 8.88 H new ATOM 0 HB3 CYS A 33 5.593 11.300 12.950 1.00 8.88 H new ATOM 0 HG CYS A 33 8.323 10.005 13.666 1.00 13.84 H new ATOM 530 N TYR A 34 3.365 10.678 14.593 1.00 7.35 N ATOM 531 CA TYR A 34 1.894 10.586 14.791 1.00 7.08 C ATOM 532 C TYR A 34 1.191 11.224 13.592 1.00 7.71 C ATOM 533 O TYR A 34 1.250 12.421 13.403 1.00 7.80 O ATOM 534 CB TYR A 34 1.509 11.339 16.062 1.00 8.67 C ATOM 535 CG TYR A 34 1.741 10.470 17.279 1.00 9.11 C ATOM 536 CD1 TYR A 34 0.723 9.628 17.743 1.00 12.44 C ATOM 537 CD2 TYR A 34 2.961 10.534 17.960 1.00 13.61 C ATOM 538 CE1 TYR A 34 0.922 8.855 18.886 1.00 16.38 C ATOM 539 CE2 TYR A 34 3.163 9.754 19.103 1.00 17.22 C ATOM 540 CZ TYR A 34 2.141 8.917 19.566 1.00 16.83 C ATOM 541 OH TYR A 34 2.338 8.153 20.698 1.00 21.14 O ATOM 0 H TYR A 34 3.721 11.614 14.399 1.00 7.35 H new ATOM 0 HA TYR A 34 1.596 9.541 14.882 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.096 12.254 16.143 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.461 11.636 16.013 1.00 8.67 H new ATOM 0 HD1 TYR A 34 -0.218 9.577 17.215 1.00 12.44 H new ATOM 0 HD2 TYR A 34 3.746 11.185 17.604 1.00 13.61 H new ATOM 0 HE1 TYR A 34 0.135 8.209 19.245 1.00 16.38 H new ATOM 0 HE2 TYR A 34 4.106 9.797 19.628 1.00 17.22 H new ATOM 0 HH TYR A 34 3.239 8.313 21.048 1.00 21.14 H new ATOM 551 N VAL A 35 0.532 10.444 12.774 1.00 9.44 N ATOM 552 CA VAL A 35 -0.154 11.035 11.590 1.00 10.66 C ATOM 553 C VAL A 35 -1.582 11.440 11.950 1.00 10.57 C ATOM 554 O VAL A 35 -2.208 10.868 12.820 1.00 8.31 O ATOM 555 CB VAL A 35 -0.175 10.034 10.435 1.00 10.22 C ATOM 556 CG1 VAL A 35 -1.118 10.545 9.341 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.239 9.901 9.867 1.00 9.86 C ATOM 0 H VAL A 35 0.440 9.433 12.874 1.00 9.44 H new ATOM 0 HA VAL A 35 0.397 11.923 11.280 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.522 9.064 10.790 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -1.136 9.834 8.515 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -2.123 10.653 9.749 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.767 11.512 8.980 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.234 9.189 9.042 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.579 10.872 9.506 1.00 9.86 H new ATOM 0 HG23 VAL A 35 1.913 9.548 10.648 1.00 9.86 H new ATOM 567 N ASP A 36 -2.095 12.430 11.275 1.00 8.58 N ATOM 568 CA ASP A 36 -3.474 12.897 11.548 1.00 11.48 C ATOM 569 C ASP A 36 -4.256 12.966 10.233 1.00 12.38 C ATOM 570 O ASP A 36 -4.059 12.161 9.345 1.00 11.89 O ATOM 571 CB ASP A 36 -3.426 14.285 12.187 1.00 16.17 C ATOM 572 CG ASP A 36 -2.187 14.398 13.077 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.032 13.563 13.953 1.00 25.89 O ATOM 574 OD2 ASP A 36 -1.414 15.319 12.867 1.00 15.67 O ATOM 0 H ASP A 36 -1.608 12.939 10.537 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.966 12.202 12.229 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.401 15.052 11.413 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.327 14.456 12.777 1.00 16.17 H new ATOM 579 N LEU A 37 -5.143 13.917 10.100 1.00 13.17 N ATOM 580 CA LEU A 37 -5.932 14.024 8.842 1.00 18.47 C ATOM 581 C LEU A 37 -6.866 12.825 8.736 1.00 21.14 C ATOM 582 O LEU A 37 -8.073 12.954 8.778 1.00 24.24 O ATOM 583 CB LEU A 37 -4.989 14.030 7.643 1.00 15.81 C ATOM 584 CG LEU A 37 -5.689 14.696 6.461 1.00 20.59 C ATOM 585 CD1 LEU A 37 -7.049 14.034 6.227 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.889 16.183 6.763 1.00 20.01 C ATOM 0 H LEU A 37 -5.353 14.621 10.807 1.00 13.17 H new ATOM 0 HA LEU A 37 -6.510 14.948 8.853 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -4.072 14.566 7.888 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.702 13.011 7.385 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.076 14.584 5.566 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -7.546 14.512 5.383 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -6.906 12.975 6.012 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -7.665 14.143 7.120 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.389 16.661 5.921 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -6.501 16.293 7.658 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -4.920 16.655 6.926 1.00 20.01 H new ATOM 598 N GLY A 38 -6.310 11.658 8.602 1.00 20.70 N ATOM 599 CA GLY A 38 -7.152 10.441 8.496 1.00 23.91 C ATOM 600 C GLY A 38 -7.538 9.978 9.901 1.00 26.50 C ATOM 601 O GLY A 38 -8.142 8.940 10.081 1.00 31.02 O ATOM 0 H GLY A 38 -5.304 11.494 8.561 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -8.047 10.652 7.910 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -6.609 9.652 7.976 1.00 23.91 H new ATOM 605 N ASN A 39 -7.197 10.751 10.900 1.00 27.64 N ATOM 606 CA ASN A 39 -7.539 10.373 12.297 1.00 30.27 C ATOM 607 C ASN A 39 -7.430 11.611 13.189 1.00 26.79 C ATOM 608 O ASN A 39 -6.349 12.098 13.456 1.00 26.87 O ATOM 609 CB ASN A 39 -6.572 9.299 12.815 1.00 35.62 C ATOM 610 CG ASN A 39 -6.265 8.283 11.712 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.058 7.403 11.442 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.133 8.362 11.065 1.00 39.63 N ATOM 0 H ASN A 39 -6.693 11.633 10.804 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.554 9.976 12.318 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -5.648 9.766 13.156 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.009 8.791 13.675 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -4.915 7.685 10.334 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -4.467 9.101 11.291 1.00 39.63 H new ATOM 619 N GLU A 40 -8.542 12.123 13.645 1.00 25.15 N ATOM 620 CA GLU A 40 -8.518 13.331 14.520 1.00 23.81 C ATOM 621 C GLU A 40 -7.344 13.239 15.488 1.00 21.12 C ATOM 622 O GLU A 40 -6.444 14.055 15.477 1.00 19.86 O ATOM 623 CB GLU A 40 -9.828 13.418 15.308 1.00 27.22 C ATOM 624 CG GLU A 40 -10.911 14.051 14.432 1.00 34.87 C ATOM 625 CD GLU A 40 -12.290 13.618 14.933 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.392 12.519 15.451 1.00 39.54 O ATOM 627 OE2 GLU A 40 -13.220 14.394 14.789 1.00 42.34 O ATOM 0 H GLU A 40 -9.472 11.754 13.447 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.407 14.222 13.903 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.139 12.423 15.627 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -9.683 14.012 16.211 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.827 15.137 14.459 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.778 13.747 13.394 1.00 34.87 H new ATOM 634 N HIS A 41 -7.344 12.238 16.309 1.00 6.50 N ATOM 635 CA HIS A 41 -6.223 12.061 17.274 1.00 5.84 C ATOM 636 C HIS A 41 -4.984 11.625 16.491 1.00 4.60 C ATOM 637 O HIS A 41 -5.094 11.227 15.349 1.00 3.72 O ATOM 638 CB HIS A 41 -6.596 10.991 18.302 1.00 6.32 C ATOM 639 CG HIS A 41 -7.424 11.615 19.393 1.00 6.31 C ATOM 640 ND1 HIS A 41 -8.691 12.127 19.159 1.00 7.24 N ATOM 641 CD2 HIS A 41 -7.178 11.818 20.728 1.00 6.55 C ATOM 642 CE1 HIS A 41 -9.155 12.609 20.327 1.00 8.31 C ATOM 643 NE2 HIS A 41 -8.273 12.446 21.316 1.00 8.21 N ATOM 0 H HIS A 41 -8.074 11.527 16.358 1.00 6.50 H new ATOM 0 HA HIS A 41 -6.022 12.994 17.800 1.00 5.84 H new ATOM 0 HB2 HIS A 41 -7.154 10.187 17.821 1.00 6.32 H new ATOM 0 HB3 HIS A 41 -5.695 10.546 18.723 1.00 6.32 H new ATOM 0 HD2 HIS A 41 -6.273 11.534 21.244 1.00 6.55 H new ATOM 0 HE1 HIS A 41 -10.123 13.071 20.449 1.00 8.31 H new ATOM 0 HE2 HIS A 41 -8.379 12.722 22.292 1.00 8.21 H new ATOM 651 N PRO A 42 -3.839 11.722 17.112 1.00 15.11 N ATOM 652 CA PRO A 42 -2.572 11.351 16.466 1.00 16.08 C ATOM 653 C PRO A 42 -2.397 9.834 16.458 1.00 17.92 C ATOM 654 O PRO A 42 -2.710 9.155 17.416 1.00 17.13 O ATOM 655 CB PRO A 42 -1.512 12.003 17.349 1.00 16.41 C ATOM 656 CG PRO A 42 -2.163 12.201 18.733 1.00 13.79 C ATOM 657 CD PRO A 42 -3.691 12.203 18.502 1.00 16.28 C ATOM 0 HA PRO A 42 -2.518 11.673 15.426 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.626 11.372 17.423 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.190 12.957 16.931 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.875 11.401 19.415 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.838 13.138 19.184 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.203 11.549 19.208 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.113 13.200 18.627 1.00 16.28 H new ATOM 665 N VAL A 43 -1.887 9.300 15.387 1.00 16.29 N ATOM 666 CA VAL A 43 -1.675 7.831 15.316 1.00 14.28 C ATOM 667 C VAL A 43 -0.177 7.541 15.303 1.00 9.00 C ATOM 668 O VAL A 43 0.521 7.868 14.365 1.00 7.99 O ATOM 669 CB VAL A 43 -2.304 7.281 14.040 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.805 7.576 14.036 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.649 7.937 12.820 1.00 20.57 C ATOM 0 H VAL A 43 -1.607 9.819 14.555 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.138 7.356 16.181 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.149 6.203 13.999 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.251 7.182 13.123 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.271 7.104 14.901 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.964 8.653 14.081 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -2.100 7.543 11.909 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.800 9.016 12.862 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.581 7.720 12.820 1.00 20.57 H new ATOM 681 N LEU A 44 0.324 6.927 16.336 1.00 10.19 N ATOM 682 CA LEU A 44 1.777 6.621 16.383 1.00 11.55 C ATOM 683 C LEU A 44 2.114 5.581 15.316 1.00 10.61 C ATOM 684 O LEU A 44 1.735 4.431 15.410 1.00 13.49 O ATOM 685 CB LEU A 44 2.144 6.080 17.761 1.00 10.60 C ATOM 686 CG LEU A 44 3.640 5.784 17.803 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.418 7.028 17.367 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.044 5.401 19.229 1.00 20.21 C ATOM 0 H LEU A 44 -0.211 6.624 17.150 1.00 10.19 H new ATOM 0 HA LEU A 44 2.345 7.532 16.193 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.883 6.806 18.531 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.576 5.174 17.972 1.00 10.60 H new ATOM 0 HG LEU A 44 3.867 4.959 17.128 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.487 6.817 17.397 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.130 7.300 16.352 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.192 7.854 18.042 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.113 5.189 19.260 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.818 6.225 19.905 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.490 4.515 19.539 1.00 20.21 H new ATOM 700 N VAL A 45 2.827 5.981 14.304 1.00 10.81 N ATOM 701 CA VAL A 45 3.197 5.026 13.224 1.00 9.29 C ATOM 702 C VAL A 45 4.722 4.980 13.094 1.00 9.95 C ATOM 703 O VAL A 45 5.411 5.924 13.425 1.00 9.36 O ATOM 704 CB VAL A 45 2.573 5.484 11.905 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.295 6.735 11.400 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.699 4.366 10.867 1.00 10.20 C ATOM 0 H VAL A 45 3.172 6.933 14.177 1.00 10.81 H new ATOM 0 HA VAL A 45 2.826 4.030 13.466 1.00 9.29 H new ATOM 0 HB VAL A 45 1.520 5.716 12.064 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.848 7.059 10.460 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.203 7.531 12.139 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.349 6.508 11.241 1.00 7.95 H new ATOM 0 HG21 VAL A 45 2.255 4.691 9.926 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.752 4.133 10.709 1.00 10.20 H new ATOM 0 HG23 VAL A 45 2.180 3.477 11.225 1.00 10.20 H new ATOM 716 N LYS A 46 5.255 3.885 12.626 1.00 10.76 N ATOM 717 CA LYS A 46 6.735 3.775 12.490 1.00 12.81 C ATOM 718 C LYS A 46 7.219 4.627 11.313 1.00 13.35 C ATOM 719 O LYS A 46 6.528 4.799 10.329 1.00 12.90 O ATOM 720 CB LYS A 46 7.118 2.312 12.253 1.00 17.04 C ATOM 721 CG LYS A 46 8.539 2.060 12.764 1.00 26.60 C ATOM 722 CD LYS A 46 8.772 0.554 12.903 1.00 33.77 C ATOM 723 CE LYS A 46 9.106 0.220 14.358 1.00 34.48 C ATOM 724 NZ LYS A 46 9.356 -1.244 14.487 1.00 36.74 N ATOM 0 H LYS A 46 4.730 3.062 12.332 1.00 10.76 H new ATOM 0 HA LYS A 46 7.205 4.133 13.406 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.415 1.655 12.765 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.057 2.078 11.190 1.00 17.04 H new ATOM 0 HG2 LYS A 46 9.266 2.489 12.075 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.683 2.551 13.726 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.883 0.007 12.588 1.00 33.77 H new ATOM 0 HD3 LYS A 46 9.587 0.240 12.251 1.00 33.77 H new ATOM 0 HE2 LYS A 46 9.985 0.779 14.678 1.00 34.48 H new ATOM 0 HE3 LYS A 46 8.284 0.518 15.009 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 9.583 -1.472 15.476 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 8.506 -1.768 14.198 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 10.154 -1.515 13.877 1.00 36.74 H new ATOM 738 N ILE A 47 8.410 5.154 11.410 1.00 13.96 N ATOM 739 CA ILE A 47 8.958 5.988 10.307 1.00 16.93 C ATOM 740 C ILE A 47 10.445 5.654 10.129 1.00 16.52 C ATOM 741 O ILE A 47 11.225 5.751 11.056 1.00 17.67 O ATOM 742 CB ILE A 47 8.777 7.475 10.656 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.731 8.307 9.376 1.00 19.39 C ATOM 744 CG2 ILE A 47 9.933 7.960 11.529 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.475 9.177 9.388 1.00 18.26 C ATOM 0 H ILE A 47 9.029 5.040 12.212 1.00 13.96 H new ATOM 0 HA ILE A 47 8.430 5.782 9.376 1.00 16.93 H new ATOM 0 HB ILE A 47 7.841 7.591 11.203 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.621 8.933 9.302 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.727 7.654 8.503 1.00 19.39 H new ATOM 0 HG21 ILE A 47 9.791 9.014 11.768 1.00 18.08 H new ATOM 0 HG22 ILE A 47 9.961 7.379 12.451 1.00 18.08 H new ATOM 0 HG23 ILE A 47 10.873 7.833 10.992 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.437 9.773 8.476 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.592 8.540 9.442 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.499 9.839 10.254 1.00 18.26 H new ATOM 757 N THR A 48 10.842 5.250 8.955 1.00 16.86 N ATOM 758 CA THR A 48 12.275 4.900 8.734 1.00 16.59 C ATOM 759 C THR A 48 13.155 6.137 8.937 1.00 19.04 C ATOM 760 O THR A 48 12.707 7.260 8.813 1.00 22.56 O ATOM 761 CB THR A 48 12.457 4.375 7.309 1.00 16.30 C ATOM 762 OG1 THR A 48 11.296 3.655 6.920 1.00 17.90 O ATOM 763 CG2 THR A 48 13.675 3.451 7.257 1.00 16.02 C ATOM 0 H THR A 48 10.238 5.147 8.139 1.00 16.86 H new ATOM 0 HA THR A 48 12.569 4.132 9.449 1.00 16.59 H new ATOM 0 HB THR A 48 12.610 5.213 6.628 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.541 2.730 6.706 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.805 3.077 6.241 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.565 4.005 7.556 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.524 2.612 7.936 1.00 16.02 H new ATOM 771 N LEU A 49 14.409 5.934 9.242 1.00 18.35 N ATOM 772 CA LEU A 49 15.330 7.087 9.447 1.00 18.82 C ATOM 773 C LEU A 49 16.505 6.963 8.472 1.00 20.06 C ATOM 774 O LEU A 49 17.268 6.019 8.523 1.00 18.35 O ATOM 775 CB LEU A 49 15.849 7.081 10.890 1.00 18.79 C ATOM 776 CG LEU A 49 15.827 8.501 11.444 1.00 18.24 C ATOM 777 CD1 LEU A 49 16.808 9.377 10.657 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.414 9.075 11.315 1.00 14.50 C ATOM 0 H LEU A 49 14.836 5.015 9.358 1.00 18.35 H new ATOM 0 HA LEU A 49 14.800 8.022 9.265 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.231 6.429 11.507 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.863 6.683 10.921 1.00 18.79 H new ATOM 0 HG LEU A 49 16.120 8.485 12.494 1.00 18.24 H new ATOM 0 HD11 LEU A 49 16.790 10.391 11.055 1.00 20.41 H new ATOM 0 HD12 LEU A 49 17.815 8.969 10.749 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.518 9.395 9.606 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.396 10.090 11.711 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.122 9.090 10.265 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.716 8.454 11.877 1.00 14.50 H new ATOM 790 N ASP A 50 16.651 7.904 7.578 1.00 22.62 N ATOM 791 CA ASP A 50 17.769 7.834 6.593 1.00 27.04 C ATOM 792 C ASP A 50 19.076 7.503 7.315 1.00 27.73 C ATOM 793 O ASP A 50 19.343 7.993 8.394 1.00 26.65 O ATOM 794 CB ASP A 50 17.906 9.180 5.878 1.00 29.11 C ATOM 795 CG ASP A 50 17.497 9.024 4.413 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.296 8.511 3.646 1.00 33.99 O ATOM 797 OD2 ASP A 50 16.392 9.421 4.082 1.00 30.76 O ATOM 0 H ASP A 50 16.044 8.719 7.487 1.00 22.62 H new ATOM 0 HA ASP A 50 17.555 7.054 5.862 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.279 9.927 6.364 1.00 29.11 H new ATOM 0 HB3 ASP A 50 18.934 9.536 5.944 1.00 29.11 H new ATOM 802 N GLU A 51 19.893 6.675 6.724 1.00 31.16 N ATOM 803 CA GLU A 51 21.185 6.311 7.371 1.00 34.22 C ATOM 804 C GLU A 51 22.013 7.576 7.604 1.00 34.98 C ATOM 805 O GLU A 51 22.514 8.181 6.677 1.00 34.19 O ATOM 806 CB GLU A 51 21.958 5.355 6.459 1.00 38.24 C ATOM 807 CG GLU A 51 22.838 4.436 7.309 1.00 46.84 C ATOM 808 CD GLU A 51 24.073 4.025 6.507 1.00 51.38 C ATOM 809 OE1 GLU A 51 23.903 3.551 5.395 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.169 4.191 7.017 1.00 53.83 O ATOM 0 H GLU A 51 19.721 6.234 5.820 1.00 31.16 H new ATOM 0 HA GLU A 51 20.990 5.825 8.327 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.263 4.762 5.864 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.574 5.921 5.760 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.139 4.947 8.223 1.00 46.84 H new ATOM 0 HG3 GLU A 51 22.275 3.552 7.609 1.00 46.84 H new ATOM 817 N GLY A 52 22.162 7.981 8.836 1.00 34.53 N ATOM 818 CA GLY A 52 22.957 9.207 9.127 1.00 34.93 C ATOM 819 C GLY A 52 22.014 10.394 9.329 1.00 36.10 C ATOM 820 O GLY A 52 22.394 11.416 9.864 1.00 35.97 O ATOM 0 H GLY A 52 21.767 7.516 9.653 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.564 9.056 10.020 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.644 9.411 8.305 1.00 34.93 H new ATOM 824 N GLN A 53 20.786 10.267 8.905 1.00 36.52 N ATOM 825 CA GLN A 53 19.820 11.390 9.072 1.00 35.40 C ATOM 826 C GLN A 53 19.403 11.492 10.542 1.00 31.02 C ATOM 827 O GLN A 53 19.377 10.504 11.248 1.00 29.05 O ATOM 828 CB GLN A 53 18.582 11.129 8.214 1.00 41.20 C ATOM 829 CG GLN A 53 18.624 12.017 6.969 1.00 47.61 C ATOM 830 CD GLN A 53 17.251 12.656 6.752 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.853 13.534 7.490 1.00 53.91 O ATOM 832 NE2 GLN A 53 16.505 12.249 5.761 1.00 54.76 N ATOM 0 H GLN A 53 20.410 9.435 8.451 1.00 36.52 H new ATOM 0 HA GLN A 53 20.292 12.322 8.760 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.543 10.079 7.923 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.679 11.334 8.789 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.383 12.791 7.087 1.00 47.61 H new ATOM 0 HG3 GLN A 53 18.904 11.426 6.097 1.00 47.61 H new ATOM 0 HE21 GLN A 53 16.839 11.511 5.141 1.00 54.76 H new ATOM 0 HE22 GLN A 53 15.588 12.669 5.607 1.00 54.76 H new ATOM 841 N PRO A 54 19.082 12.691 10.956 1.00 27.43 N ATOM 842 CA PRO A 54 18.652 12.966 12.336 1.00 23.44 C ATOM 843 C PRO A 54 17.190 12.553 12.526 1.00 20.14 C ATOM 844 O PRO A 54 16.313 13.010 11.820 1.00 21.64 O ATOM 845 CB PRO A 54 18.816 14.479 12.471 1.00 24.39 C ATOM 846 CG PRO A 54 18.782 15.048 11.037 1.00 27.18 C ATOM 847 CD PRO A 54 19.119 13.884 10.087 1.00 28.37 C ATOM 0 HA PRO A 54 19.224 12.416 13.083 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.016 14.904 13.077 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.756 14.726 12.965 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.800 15.461 10.808 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.502 15.858 10.926 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.395 13.809 9.275 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.100 14.014 9.629 1.00 28.37 H new ATOM 855 N ALA A 55 16.924 11.687 13.467 1.00 17.21 N ATOM 856 CA ALA A 55 15.524 11.236 13.699 1.00 15.58 C ATOM 857 C ALA A 55 14.554 12.412 13.568 1.00 16.41 C ATOM 858 O ALA A 55 14.874 13.537 13.895 1.00 13.65 O ATOM 859 CB ALA A 55 15.415 10.648 15.103 1.00 13.98 C ATOM 0 H ALA A 55 17.620 11.272 14.087 1.00 17.21 H new ATOM 0 HA ALA A 55 15.266 10.483 12.954 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.392 10.316 15.280 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.093 9.800 15.196 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.682 11.408 15.837 1.00 13.98 H new ATOM 865 N TYR A 56 13.364 12.151 13.097 1.00 15.93 N ATOM 866 CA TYR A 56 12.360 13.240 12.948 1.00 14.61 C ATOM 867 C TYR A 56 12.311 14.054 14.243 1.00 15.51 C ATOM 868 O TYR A 56 11.959 13.551 15.290 1.00 17.19 O ATOM 869 CB TYR A 56 10.985 12.622 12.664 1.00 12.92 C ATOM 870 CG TYR A 56 11.021 11.923 11.320 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.512 10.615 11.227 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.583 12.590 10.171 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.562 9.974 9.985 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.636 11.949 8.929 1.00 7.90 C ATOM 875 CZ TYR A 56 11.124 10.641 8.835 1.00 10.29 C ATOM 876 OH TYR A 56 11.175 10.010 7.610 1.00 12.03 O ATOM 0 H TYR A 56 13.044 11.226 12.808 1.00 15.93 H new ATOM 0 HA TYR A 56 12.636 13.894 12.121 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.722 11.913 13.449 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.218 13.396 12.664 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.852 10.101 12.114 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.204 13.599 10.243 1.00 7.14 H new ATOM 0 HE1 TYR A 56 11.939 8.964 9.913 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.300 12.464 8.041 1.00 7.90 H new ATOM 0 HH TYR A 56 10.833 10.613 6.917 1.00 12.03 H new ATOM 886 N ALA A 57 12.671 15.308 14.182 1.00 13.38 N ATOM 887 CA ALA A 57 12.652 16.151 15.412 1.00 14.95 C ATOM 888 C ALA A 57 11.207 16.341 15.883 1.00 15.46 C ATOM 889 O ALA A 57 10.282 15.886 15.239 1.00 17.82 O ATOM 890 CB ALA A 57 13.271 17.516 15.102 1.00 14.98 C ATOM 0 H ALA A 57 12.977 15.785 13.334 1.00 13.38 H new ATOM 0 HA ALA A 57 13.226 15.659 16.197 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.258 18.134 16.000 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.300 17.382 14.769 1.00 14.98 H new ATOM 0 HB3 ALA A 57 12.696 18.006 14.316 1.00 14.98 H new ATOM 896 N PRO A 58 11.058 17.012 16.998 1.00 15.20 N ATOM 897 CA PRO A 58 9.737 17.287 17.591 1.00 16.55 C ATOM 898 C PRO A 58 9.056 18.443 16.855 1.00 16.75 C ATOM 899 O PRO A 58 9.418 19.592 17.014 1.00 17.28 O ATOM 900 CB PRO A 58 10.067 17.677 19.035 1.00 15.65 C ATOM 901 CG PRO A 58 11.540 18.150 19.035 1.00 14.16 C ATOM 902 CD PRO A 58 12.193 17.559 17.771 1.00 13.96 C ATOM 0 HA PRO A 58 9.052 16.441 17.530 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.405 18.469 19.384 1.00 15.65 H new ATOM 0 HB3 PRO A 58 9.931 16.829 19.707 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.597 19.238 19.028 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.056 17.810 19.933 1.00 14.16 H new ATOM 0 HD2 PRO A 58 12.729 18.322 17.206 1.00 13.96 H new ATOM 0 HD3 PRO A 58 12.915 16.782 18.022 1.00 13.96 H new ATOM 910 N GLY A 59 8.073 18.151 16.047 1.00 17.22 N ATOM 911 CA GLY A 59 7.380 19.239 15.304 1.00 15.08 C ATOM 912 C GLY A 59 6.232 18.658 14.476 1.00 14.96 C ATOM 913 O GLY A 59 6.033 17.463 14.430 1.00 13.79 O ATOM 0 H GLY A 59 7.722 17.210 15.870 1.00 17.22 H new ATOM 0 HA2 GLY A 59 6.995 19.981 16.004 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.086 19.752 14.652 1.00 15.08 H new ATOM 917 N LEU A 60 5.480 19.498 13.814 1.00 15.83 N ATOM 918 CA LEU A 60 4.354 18.997 12.975 1.00 14.53 C ATOM 919 C LEU A 60 4.937 18.354 11.719 1.00 14.15 C ATOM 920 O LEU A 60 5.926 18.817 11.190 1.00 13.27 O ATOM 921 CB LEU A 60 3.462 20.175 12.570 1.00 15.84 C ATOM 922 CG LEU A 60 2.004 19.859 12.901 1.00 16.91 C ATOM 923 CD1 LEU A 60 1.216 21.164 13.033 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.401 19.008 11.780 1.00 15.01 C ATOM 0 H LEU A 60 5.598 20.511 13.819 1.00 15.83 H new ATOM 0 HA LEU A 60 3.764 18.270 13.533 1.00 14.53 H new ATOM 0 HB2 LEU A 60 3.776 21.078 13.094 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.568 20.373 11.503 1.00 15.84 H new ATOM 0 HG LEU A 60 1.955 19.310 13.841 1.00 16.91 H new ATOM 0 HD11 LEU A 60 0.176 20.939 13.269 1.00 19.57 H new ATOM 0 HD12 LEU A 60 1.646 21.770 13.831 1.00 19.57 H new ATOM 0 HD13 LEU A 60 1.264 21.714 12.093 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.361 18.782 12.014 1.00 15.01 H new ATOM 0 HD22 LEU A 60 1.450 19.557 10.840 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.963 18.078 11.687 1.00 15.01 H new ATOM 936 N TYR A 61 4.352 17.293 11.230 1.00 11.12 N ATOM 937 CA TYR A 61 4.916 16.657 10.013 1.00 9.57 C ATOM 938 C TYR A 61 3.843 16.418 8.971 1.00 11.76 C ATOM 939 O TYR A 61 2.662 16.407 9.245 1.00 11.26 O ATOM 940 CB TYR A 61 5.565 15.325 10.375 1.00 9.42 C ATOM 941 CG TYR A 61 6.940 15.602 10.913 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.090 16.034 12.231 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.058 15.454 10.087 1.00 10.68 C ATOM 944 CE1 TYR A 61 8.363 16.320 12.728 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.332 15.736 10.584 1.00 13.03 C ATOM 946 CZ TYR A 61 9.483 16.171 11.903 1.00 11.06 C ATOM 947 OH TYR A 61 10.740 16.450 12.401 1.00 14.61 O ATOM 0 H TYR A 61 3.520 16.847 11.617 1.00 11.12 H new ATOM 0 HA TYR A 61 5.662 17.335 9.598 1.00 9.57 H new ATOM 0 HB2 TYR A 61 4.965 14.800 11.118 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.623 14.680 9.498 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.223 16.147 12.865 1.00 10.26 H new ATOM 0 HD2 TYR A 61 7.937 15.122 9.066 1.00 10.68 H new ATOM 0 HE1 TYR A 61 8.483 16.656 13.747 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.199 15.618 9.950 1.00 13.03 H new ATOM 0 HH TYR A 61 10.710 16.455 13.381 1.00 14.61 H new ATOM 957 N THR A 62 4.276 16.200 7.774 1.00 12.22 N ATOM 958 CA THR A 62 3.348 15.918 6.666 1.00 14.26 C ATOM 959 C THR A 62 4.037 14.886 5.801 1.00 15.40 C ATOM 960 O THR A 62 5.126 15.104 5.309 1.00 16.24 O ATOM 961 CB THR A 62 3.082 17.178 5.857 1.00 15.07 C ATOM 962 OG1 THR A 62 4.259 17.549 5.153 1.00 18.36 O ATOM 963 CG2 THR A 62 2.669 18.303 6.803 1.00 11.61 C ATOM 0 H THR A 62 5.262 16.206 7.511 1.00 12.22 H new ATOM 0 HA THR A 62 2.387 15.562 7.037 1.00 14.26 H new ATOM 0 HB THR A 62 2.282 16.993 5.141 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.669 16.751 4.758 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.477 19.209 6.229 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.765 18.014 7.339 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.470 18.490 7.518 1.00 11.61 H new ATOM 971 N VAL A 63 3.449 13.753 5.641 1.00 14.65 N ATOM 972 CA VAL A 63 4.126 12.712 4.841 1.00 15.17 C ATOM 973 C VAL A 63 4.515 13.287 3.484 1.00 14.24 C ATOM 974 O VAL A 63 4.086 14.357 3.102 1.00 19.13 O ATOM 975 CB VAL A 63 3.231 11.494 4.676 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.102 10.298 4.298 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.518 11.205 6.003 1.00 18.64 C ATOM 0 H VAL A 63 2.538 13.499 6.023 1.00 14.65 H new ATOM 0 HA VAL A 63 5.028 12.392 5.362 1.00 15.17 H new ATOM 0 HB VAL A 63 2.488 11.676 3.899 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.475 9.415 4.176 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.621 10.507 3.362 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.833 10.117 5.086 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.875 10.332 5.888 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.258 11.011 6.779 1.00 18.64 H new ATOM 0 HG23 VAL A 63 1.913 12.066 6.286 1.00 18.64 H new ATOM 987 N HIS A 64 5.341 12.592 2.766 1.00 13.31 N ATOM 988 CA HIS A 64 5.787 13.098 1.440 1.00 10.78 C ATOM 989 C HIS A 64 5.592 11.999 0.392 1.00 14.19 C ATOM 990 O HIS A 64 6.005 10.868 0.586 1.00 11.59 O ATOM 991 CB HIS A 64 7.269 13.476 1.518 1.00 11.86 C ATOM 992 CG HIS A 64 7.585 14.533 0.493 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.049 14.511 -0.784 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.402 15.637 0.535 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.547 15.561 -1.455 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.378 16.284 -0.698 1.00 20.65 N ATOM 0 H HIS A 64 5.731 11.690 3.039 1.00 13.31 H new ATOM 0 HA HIS A 64 5.203 13.975 1.161 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.507 13.843 2.516 1.00 11.86 H new ATOM 0 HB3 HIS A 64 7.887 12.595 1.346 1.00 11.86 H new ATOM 0 HD2 HIS A 64 8.975 15.955 1.393 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.306 15.794 -2.482 1.00 19.32 H new ATOM 0 HE2 HIS A 64 8.885 17.128 -0.966 1.00 20.65 H new ATOM 1004 N LEU A 65 4.971 12.319 -0.717 1.00 12.93 N ATOM 1005 CA LEU A 65 4.752 11.294 -1.774 1.00 14.44 C ATOM 1006 C LEU A 65 6.073 10.974 -2.479 1.00 12.66 C ATOM 1007 O LEU A 65 6.118 10.164 -3.384 1.00 10.20 O ATOM 1008 CB LEU A 65 3.727 11.808 -2.794 1.00 14.94 C ATOM 1009 CG LEU A 65 4.397 12.778 -3.753 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.391 12.183 -5.163 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.648 14.111 -3.750 1.00 19.03 C ATOM 0 H LEU A 65 4.608 13.247 -0.932 1.00 12.93 H new ATOM 0 HA LEU A 65 4.370 10.384 -1.311 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.300 10.972 -3.347 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.904 12.302 -2.278 1.00 14.94 H new ATOM 0 HG LEU A 65 5.426 12.949 -3.436 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.871 12.877 -5.853 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.935 11.238 -5.162 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.363 12.009 -5.480 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.133 14.802 -4.439 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.617 13.950 -4.064 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.660 14.533 -2.745 1.00 19.03 H new ATOM 1023 N SER A 66 7.157 11.580 -2.064 1.00 13.51 N ATOM 1024 CA SER A 66 8.456 11.270 -2.711 1.00 10.39 C ATOM 1025 C SER A 66 8.666 9.760 -2.619 1.00 8.56 C ATOM 1026 O SER A 66 9.452 9.176 -3.338 1.00 11.70 O ATOM 1027 CB SER A 66 9.583 11.993 -1.972 1.00 12.88 C ATOM 1028 OG SER A 66 10.777 11.228 -2.074 1.00 14.72 O ATOM 0 H SER A 66 7.194 12.268 -1.312 1.00 13.51 H new ATOM 0 HA SER A 66 8.457 11.596 -3.751 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.735 12.985 -2.398 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.316 12.133 -0.925 1.00 12.88 H new ATOM 0 HG SER A 66 11.502 11.689 -1.603 1.00 14.72 H new ATOM 1034 N SER A 67 7.956 9.133 -1.717 1.00 7.98 N ATOM 1035 CA SER A 67 8.083 7.665 -1.533 1.00 8.20 C ATOM 1036 C SER A 67 6.943 6.936 -2.258 1.00 11.02 C ATOM 1037 O SER A 67 6.888 5.722 -2.273 1.00 11.45 O ATOM 1038 CB SER A 67 8.013 7.345 -0.041 1.00 8.01 C ATOM 1039 OG SER A 67 8.875 8.229 0.666 1.00 11.22 O ATOM 0 H SER A 67 7.287 9.586 -1.095 1.00 7.98 H new ATOM 0 HA SER A 67 9.035 7.334 -1.948 1.00 8.20 H new ATOM 0 HB2 SER A 67 6.989 7.450 0.319 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.308 6.311 0.136 1.00 8.01 H new ATOM 0 HG SER A 67 9.334 7.738 1.379 1.00 11.22 H new ATOM 1045 N PHE A 68 6.018 7.657 -2.838 1.00 10.09 N ATOM 1046 CA PHE A 68 4.879 6.985 -3.529 1.00 11.79 C ATOM 1047 C PHE A 68 5.268 6.627 -4.961 1.00 12.69 C ATOM 1048 O PHE A 68 6.160 7.211 -5.543 1.00 14.25 O ATOM 1049 CB PHE A 68 3.666 7.922 -3.560 1.00 10.08 C ATOM 1050 CG PHE A 68 3.362 8.435 -2.171 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.078 7.972 -1.054 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.378 9.417 -2.008 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.809 8.495 0.212 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.107 9.933 -0.739 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.825 9.474 0.368 1.00 11.87 C ATOM 0 H PHE A 68 6.002 8.677 -2.863 1.00 10.09 H new ATOM 0 HA PHE A 68 4.629 6.075 -2.984 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.862 8.760 -4.229 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.800 7.393 -3.957 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.836 7.212 -1.175 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.828 9.776 -2.865 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.362 8.143 1.071 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.343 10.686 -0.613 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.618 9.878 1.348 1.00 11.87 H new ATOM 1065 N LYS A 69 4.592 5.670 -5.532 1.00 12.51 N ATOM 1066 CA LYS A 69 4.898 5.263 -6.930 1.00 15.38 C ATOM 1067 C LYS A 69 3.649 4.645 -7.553 1.00 15.02 C ATOM 1068 O LYS A 69 2.646 4.451 -6.895 1.00 15.36 O ATOM 1069 CB LYS A 69 6.029 4.234 -6.931 1.00 16.04 C ATOM 1070 CG LYS A 69 5.764 3.181 -5.854 1.00 20.35 C ATOM 1071 CD LYS A 69 5.944 1.784 -6.449 1.00 21.35 C ATOM 1072 CE LYS A 69 7.422 1.552 -6.767 1.00 30.24 C ATOM 1073 NZ LYS A 69 7.551 0.431 -7.740 1.00 32.70 N ATOM 0 H LYS A 69 3.836 5.149 -5.087 1.00 12.51 H new ATOM 0 HA LYS A 69 5.206 6.136 -7.506 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.101 3.758 -7.909 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.983 4.727 -6.745 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.448 3.322 -5.017 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.753 3.293 -5.462 1.00 20.35 H new ATOM 0 HD2 LYS A 69 5.589 1.030 -5.747 1.00 21.35 H new ATOM 0 HD3 LYS A 69 5.346 1.683 -7.355 1.00 21.35 H new ATOM 0 HE2 LYS A 69 7.863 2.459 -7.181 1.00 30.24 H new ATOM 0 HE3 LYS A 69 7.969 1.320 -5.854 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 8.556 0.273 -7.956 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 7.145 -0.434 -7.329 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 7.042 0.670 -8.615 1.00 32.70 H new ATOM 1087 N VAL A 70 3.698 4.332 -8.816 1.00 13.65 N ATOM 1088 CA VAL A 70 2.507 3.727 -9.475 1.00 13.49 C ATOM 1089 C VAL A 70 2.832 2.297 -9.906 1.00 11.85 C ATOM 1090 O VAL A 70 3.625 2.070 -10.797 1.00 12.13 O ATOM 1091 CB VAL A 70 2.117 4.545 -10.701 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.606 4.449 -10.919 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.513 6.010 -10.494 1.00 15.63 C ATOM 0 H VAL A 70 4.508 4.468 -9.420 1.00 13.65 H new ATOM 0 HA VAL A 70 1.677 3.719 -8.769 1.00 13.49 H new ATOM 0 HB VAL A 70 2.637 4.153 -11.575 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.327 5.034 -11.795 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.326 3.407 -11.074 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.087 4.838 -10.043 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.232 6.590 -11.373 1.00 15.63 H new ATOM 0 HG22 VAL A 70 1.999 6.406 -9.618 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.590 6.078 -10.343 1.00 15.63 H new ATOM 1103 N GLY A 71 2.220 1.333 -9.280 1.00 11.15 N ATOM 1104 CA GLY A 71 2.486 -0.085 -9.652 1.00 11.07 C ATOM 1105 C GLY A 71 1.602 -0.471 -10.840 1.00 12.15 C ATOM 1106 O GLY A 71 0.965 0.368 -11.446 1.00 12.70 O ATOM 0 H GLY A 71 1.546 1.465 -8.526 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.537 -0.214 -9.909 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.282 -0.740 -8.805 1.00 11.07 H new ATOM 1110 N GLN A 72 1.556 -1.731 -11.181 1.00 15.78 N ATOM 1111 CA GLN A 72 0.712 -2.155 -12.330 1.00 19.42 C ATOM 1112 C GLN A 72 -0.687 -2.513 -11.830 1.00 16.97 C ATOM 1113 O GLN A 72 -1.435 -3.218 -12.478 1.00 20.46 O ATOM 1114 CB GLN A 72 1.348 -3.366 -13.016 1.00 22.64 C ATOM 1115 CG GLN A 72 0.419 -3.875 -14.119 1.00 25.29 C ATOM 1116 CD GLN A 72 -0.219 -5.197 -13.686 1.00 26.29 C ATOM 1117 OE1 GLN A 72 -0.552 -6.022 -14.514 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -0.408 -5.437 -12.416 1.00 25.15 N ATOM 0 H GLN A 72 2.065 -2.481 -10.714 1.00 15.78 H new ATOM 0 HA GLN A 72 0.637 -1.338 -13.048 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.315 -3.092 -13.438 1.00 22.64 H new ATOM 0 HB3 GLN A 72 1.531 -4.156 -12.287 1.00 22.64 H new ATOM 0 HG2 GLN A 72 -0.356 -3.136 -14.325 1.00 25.29 H new ATOM 0 HG3 GLN A 72 0.979 -4.016 -15.043 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -0.129 -4.746 -11.719 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -0.834 -6.315 -12.121 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.042 -2.023 -10.681 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.392 -2.317 -10.121 1.00 14.60 C ATOM 1129 C PHE A 73 -3.373 -1.236 -10.577 1.00 15.63 C ATOM 1130 O PHE A 73 -4.573 -1.373 -10.441 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.320 -2.323 -8.593 1.00 12.63 C ATOM 1132 CG PHE A 73 -2.354 -3.746 -8.089 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -3.415 -4.589 -8.441 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -1.324 -4.222 -7.269 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -3.446 -5.907 -7.972 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -1.355 -5.541 -6.800 1.00 18.68 C ATOM 1137 CZ PHE A 73 -2.416 -6.384 -7.152 1.00 17.88 C ATOM 0 H PHE A 73 -0.454 -1.427 -10.099 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.729 -3.292 -10.473 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.406 -1.831 -8.260 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.155 -1.759 -8.177 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -4.209 -4.222 -9.074 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -0.505 -3.572 -6.998 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -4.265 -6.557 -8.243 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -0.561 -5.908 -6.167 1.00 18.68 H new ATOM 0 HZ PHE A 73 -2.440 -7.402 -6.791 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.872 -0.158 -11.116 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.773 0.933 -11.578 1.00 13.44 C ATOM 1149 C GLY A 74 -4.105 1.854 -10.402 1.00 10.42 C ATOM 1150 O GLY A 74 -5.197 2.375 -10.299 1.00 13.62 O ATOM 0 H GLY A 74 -1.876 0.013 -11.256 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -3.294 1.502 -12.375 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.688 0.512 -11.993 1.00 13.44 H new ATOM 1154 N SER A 75 -3.172 2.059 -9.512 1.00 12.64 N ATOM 1155 CA SER A 75 -3.443 2.945 -8.345 1.00 12.47 C ATOM 1156 C SER A 75 -2.122 3.336 -7.678 1.00 12.47 C ATOM 1157 O SER A 75 -1.156 2.599 -7.712 1.00 11.32 O ATOM 1158 CB SER A 75 -4.319 2.201 -7.334 1.00 11.21 C ATOM 1159 OG SER A 75 -3.506 1.324 -6.567 1.00 18.27 O ATOM 0 H SER A 75 -2.237 1.653 -9.543 1.00 12.64 H new ATOM 0 HA SER A 75 -3.958 3.843 -8.686 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.825 2.912 -6.681 1.00 11.21 H new ATOM 0 HB3 SER A 75 -5.094 1.637 -7.852 1.00 11.21 H new ATOM 0 HG SER A 75 -4.063 0.847 -5.917 1.00 18.27 H new ATOM 1165 N LEU A 76 -2.075 4.489 -7.068 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.822 4.927 -6.393 1.00 12.18 C ATOM 1167 C LEU A 76 -0.508 3.965 -5.246 1.00 12.07 C ATOM 1168 O LEU A 76 -1.383 3.296 -4.732 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.012 6.342 -5.839 1.00 11.99 C ATOM 1170 CG LEU A 76 0.352 6.971 -5.542 1.00 8.87 C ATOM 1171 CD1 LEU A 76 1.148 7.108 -6.842 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.148 8.355 -4.920 1.00 7.80 C ATOM 0 H LEU A 76 -2.852 5.147 -7.008 1.00 12.43 H new ATOM 0 HA LEU A 76 0.002 4.926 -7.107 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.556 6.954 -6.559 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.613 6.309 -4.930 1.00 11.99 H new ATOM 0 HG LEU A 76 0.902 6.336 -4.847 1.00 8.87 H new ATOM 0 HD11 LEU A 76 2.119 7.556 -6.629 1.00 9.28 H new ATOM 0 HD12 LEU A 76 1.292 6.123 -7.286 1.00 9.28 H new ATOM 0 HD13 LEU A 76 0.601 7.743 -7.539 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.118 8.805 -4.708 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.402 8.989 -5.616 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.418 8.258 -3.993 1.00 7.80 H new ATOM 1184 N MET A 77 0.729 3.883 -4.840 1.00 14.08 N ATOM 1185 CA MET A 77 1.081 2.957 -3.729 1.00 14.12 C ATOM 1186 C MET A 77 2.348 3.449 -3.028 1.00 11.37 C ATOM 1187 O MET A 77 3.423 3.453 -3.595 1.00 11.44 O ATOM 1188 CB MET A 77 1.323 1.555 -4.291 1.00 16.48 C ATOM 1189 CG MET A 77 0.010 0.984 -4.829 1.00 24.75 C ATOM 1190 SD MET A 77 0.283 -0.706 -5.418 1.00 35.11 S ATOM 1191 CE MET A 77 -1.415 -1.296 -5.211 1.00 33.86 C ATOM 0 H MET A 77 1.508 4.415 -5.228 1.00 14.08 H new ATOM 0 HA MET A 77 0.260 2.927 -3.012 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.067 1.595 -5.087 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.723 0.904 -3.513 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.749 0.990 -4.047 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.364 1.607 -5.641 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.413 -2.380 -5.101 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.852 -0.842 -4.322 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.005 -1.021 -6.086 1.00 33.86 H new ATOM 1201 N ILE A 78 2.230 3.860 -1.796 1.00 11.78 N ATOM 1202 CA ILE A 78 3.427 4.346 -1.053 1.00 11.62 C ATOM 1203 C ILE A 78 4.509 3.262 -1.063 1.00 11.45 C ATOM 1204 O ILE A 78 4.232 2.091 -0.900 1.00 12.59 O ATOM 1205 CB ILE A 78 3.049 4.640 0.396 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.163 5.886 0.466 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.318 4.867 1.220 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.844 5.534 1.158 1.00 13.67 C ATOM 0 H ILE A 78 1.356 3.880 -1.271 1.00 11.78 H new ATOM 0 HA ILE A 78 3.798 5.252 -1.532 1.00 11.62 H new ATOM 0 HB ILE A 78 2.499 3.790 0.799 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.673 6.678 1.014 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.970 6.265 -0.537 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.047 5.077 2.255 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.941 3.973 1.182 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.871 5.713 0.811 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.212 6.420 1.209 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.333 4.755 0.592 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.047 5.175 2.167 1.00 13.67 H new ATOM 1220 N ASP A 79 5.740 3.650 -1.228 1.00 10.05 N ATOM 1221 CA ASP A 79 6.853 2.654 -1.222 1.00 14.79 C ATOM 1222 C ASP A 79 7.615 2.788 0.097 1.00 15.20 C ATOM 1223 O ASP A 79 8.204 1.852 0.599 1.00 18.10 O ATOM 1224 CB ASP A 79 7.798 2.930 -2.395 1.00 12.21 C ATOM 1225 CG ASP A 79 8.921 1.891 -2.402 1.00 17.52 C ATOM 1226 OD1 ASP A 79 9.842 2.038 -1.616 1.00 21.87 O ATOM 1227 OD2 ASP A 79 8.840 0.966 -3.193 1.00 24.06 O ATOM 0 H ASP A 79 6.028 4.618 -1.368 1.00 10.05 H new ATOM 0 HA ASP A 79 6.453 1.645 -1.322 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.248 2.893 -3.335 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.217 3.933 -2.310 1.00 12.21 H new ATOM 1232 N ARG A 80 7.582 3.960 0.656 1.00 17.08 N ATOM 1233 CA ARG A 80 8.266 4.231 1.949 1.00 17.14 C ATOM 1234 C ARG A 80 8.018 5.693 2.285 1.00 14.98 C ATOM 1235 O ARG A 80 8.905 6.522 2.244 1.00 16.47 O ATOM 1236 CB ARG A 80 9.766 3.963 1.826 1.00 17.78 C ATOM 1237 CG ARG A 80 10.431 4.201 3.181 1.00 22.76 C ATOM 1238 CD ARG A 80 10.420 2.904 3.992 1.00 28.43 C ATOM 1239 NE ARG A 80 9.396 3.001 5.071 1.00 33.10 N ATOM 1240 CZ ARG A 80 8.998 1.926 5.696 1.00 30.84 C ATOM 1241 NH1 ARG A 80 9.493 0.760 5.377 1.00 33.12 N ATOM 1242 NH2 ARG A 80 8.104 2.017 6.642 1.00 35.04 N ATOM 0 H ARG A 80 7.096 4.765 0.261 1.00 17.08 H new ATOM 0 HA ARG A 80 7.880 3.580 2.734 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.939 2.938 1.498 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.204 4.617 1.072 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.456 4.545 3.039 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.904 4.986 3.724 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.199 2.058 3.341 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.404 2.725 4.425 1.00 28.43 H new ATOM 0 HE ARG A 80 9.005 3.909 5.322 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.192 0.688 4.638 1.00 33.12 H new ATOM 0 HH12 ARG A 80 9.180 -0.078 5.867 1.00 33.12 H new ATOM 0 HH21 ARG A 80 7.717 2.927 6.892 1.00 35.04 H new ATOM 0 HH22 ARG A 80 7.792 1.178 7.131 1.00 35.04 H new ATOM 1256 N LEU A 81 6.788 5.998 2.570 1.00 11.03 N ATOM 1257 CA LEU A 81 6.369 7.391 2.873 1.00 11.27 C ATOM 1258 C LEU A 81 7.505 8.206 3.505 1.00 15.61 C ATOM 1259 O LEU A 81 7.986 7.905 4.579 1.00 18.56 O ATOM 1260 CB LEU A 81 5.140 7.346 3.789 1.00 13.62 C ATOM 1261 CG LEU A 81 5.551 7.441 5.256 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.291 7.483 6.125 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.387 6.210 5.631 1.00 18.72 C ATOM 0 H LEU A 81 6.030 5.316 2.607 1.00 11.03 H new ATOM 0 HA LEU A 81 6.113 7.895 1.941 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.467 8.167 3.542 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.589 6.420 3.621 1.00 13.62 H new ATOM 0 HG LEU A 81 6.141 8.343 5.417 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.575 7.551 7.175 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.691 8.352 5.855 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.708 6.576 5.965 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.682 6.276 6.678 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.795 5.308 5.476 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.278 6.171 5.005 1.00 18.72 H new ATOM 1275 N ARG A 82 7.921 9.254 2.843 1.00 13.37 N ATOM 1276 CA ARG A 82 8.999 10.111 3.403 1.00 12.72 C ATOM 1277 C ARG A 82 8.335 11.229 4.204 1.00 13.33 C ATOM 1278 O ARG A 82 7.715 12.115 3.652 1.00 13.27 O ATOM 1279 CB ARG A 82 9.831 10.709 2.267 1.00 13.85 C ATOM 1280 CG ARG A 82 11.314 10.444 2.530 1.00 16.22 C ATOM 1281 CD ARG A 82 12.158 11.175 1.485 1.00 16.62 C ATOM 1282 NE ARG A 82 13.260 11.913 2.165 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.275 12.357 1.474 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.332 12.154 0.185 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.236 13.005 2.074 1.00 16.89 N ATOM 0 H ARG A 82 7.558 9.551 1.937 1.00 13.37 H new ATOM 0 HA ARG A 82 9.660 9.525 4.041 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.535 10.270 1.314 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.649 11.781 2.194 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.583 10.782 3.531 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.515 9.373 2.491 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.570 10.462 0.771 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.536 11.869 0.920 1.00 16.62 H new ATOM 0 HE ARG A 82 13.221 12.071 3.172 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.582 11.647 -0.285 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.126 12.502 -0.352 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.193 13.164 3.081 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.030 13.353 1.536 1.00 16.89 H new ATOM 1299 N LEU A 83 8.427 11.177 5.500 1.00 13.53 N ATOM 1300 CA LEU A 83 7.764 12.218 6.329 1.00 13.86 C ATOM 1301 C LEU A 83 8.603 13.494 6.384 1.00 13.02 C ATOM 1302 O LEU A 83 9.814 13.472 6.290 1.00 14.40 O ATOM 1303 CB LEU A 83 7.541 11.683 7.743 1.00 9.93 C ATOM 1304 CG LEU A 83 6.751 12.697 8.552 1.00 8.07 C ATOM 1305 CD1 LEU A 83 5.260 12.552 8.236 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.988 12.444 10.043 1.00 10.58 C ATOM 0 H LEU A 83 8.932 10.460 6.021 1.00 13.53 H new ATOM 0 HA LEU A 83 6.804 12.461 5.873 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.003 10.736 7.704 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.499 11.486 8.224 1.00 9.93 H new ATOM 0 HG LEU A 83 7.076 13.706 8.297 1.00 8.07 H new ATOM 0 HD11 LEU A 83 4.693 13.280 8.816 1.00 8.88 H new ATOM 0 HD12 LEU A 83 5.095 12.727 7.173 1.00 8.88 H new ATOM 0 HD13 LEU A 83 4.930 11.546 8.493 1.00 8.88 H new ATOM 0 HD21 LEU A 83 6.423 13.169 10.629 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.659 11.436 10.298 1.00 10.58 H new ATOM 0 HD23 LEU A 83 8.050 12.546 10.265 1.00 10.58 H new ATOM 1318 N VAL A 84 7.944 14.607 6.530 1.00 11.81 N ATOM 1319 CA VAL A 84 8.641 15.911 6.593 1.00 12.86 C ATOM 1320 C VAL A 84 7.841 16.833 7.523 1.00 14.98 C ATOM 1321 O VAL A 84 6.644 16.678 7.650 1.00 13.59 O ATOM 1322 CB VAL A 84 8.682 16.501 5.184 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.388 15.523 4.244 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.252 16.741 4.692 1.00 17.34 C ATOM 0 H VAL A 84 6.929 14.665 6.610 1.00 11.81 H new ATOM 0 HA VAL A 84 9.657 15.800 6.971 1.00 12.86 H new ATOM 0 HB VAL A 84 9.225 17.446 5.199 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.418 15.942 3.238 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.405 15.350 4.596 1.00 17.65 H new ATOM 0 HG13 VAL A 84 8.845 14.578 4.227 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.279 17.162 3.687 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.710 15.796 4.675 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.748 17.436 5.363 1.00 17.34 H new ATOM 1334 N PRO A 85 8.513 17.767 8.141 1.00 18.65 N ATOM 1335 CA PRO A 85 7.865 18.723 9.055 1.00 22.41 C ATOM 1336 C PRO A 85 6.833 19.576 8.304 1.00 25.70 C ATOM 1337 O PRO A 85 7.032 19.952 7.166 1.00 22.08 O ATOM 1338 CB PRO A 85 9.028 19.545 9.614 1.00 21.19 C ATOM 1339 CG PRO A 85 10.187 19.354 8.624 1.00 18.95 C ATOM 1340 CD PRO A 85 9.958 17.977 7.977 1.00 20.63 C ATOM 0 HA PRO A 85 7.298 18.246 9.855 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.757 20.597 9.701 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.305 19.203 10.611 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.194 20.144 7.873 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.149 19.392 9.135 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.249 17.972 6.927 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.537 17.198 8.472 1.00 20.63 H new ATOM 1348 N ALA A 86 5.722 19.861 8.932 1.00 31.74 N ATOM 1349 CA ALA A 86 4.657 20.664 8.263 1.00 39.94 C ATOM 1350 C ALA A 86 5.092 22.128 8.182 1.00 46.96 C ATOM 1351 O ALA A 86 5.274 22.787 9.186 1.00 49.29 O ATOM 1352 CB ALA A 86 3.362 20.558 9.076 1.00 39.70 C ATOM 0 H ALA A 86 5.506 19.570 9.885 1.00 31.74 H new ATOM 0 HA ALA A 86 4.490 20.283 7.255 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.580 21.143 8.592 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.052 19.514 9.133 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.532 20.941 10.082 1.00 39.70 H new ATOM 1358 N LYS A 87 5.262 22.643 6.995 1.00 51.78 N ATOM 1359 CA LYS A 87 5.686 24.064 6.853 1.00 55.12 C ATOM 1360 C LYS A 87 6.862 24.342 7.792 1.00 55.82 C ATOM 1361 O LYS A 87 6.630 24.903 8.850 1.00 58.05 O ATOM 1362 CB LYS A 87 4.517 24.984 7.213 1.00 52.96 C ATOM 1363 CG LYS A 87 3.402 24.822 6.179 1.00 55.49 C ATOM 1364 CD LYS A 87 3.546 25.896 5.099 1.00 56.64 C ATOM 1365 CE LYS A 87 2.186 26.548 4.841 1.00 58.91 C ATOM 1366 NZ LYS A 87 2.381 27.979 4.472 1.00 58.16 N ATOM 1367 OXT LYS A 87 7.974 23.986 7.438 1.00 57.66 O ATOM 0 H LYS A 87 5.126 22.141 6.118 1.00 51.78 H new ATOM 0 HA LYS A 87 5.991 24.251 5.823 1.00 55.12 H new ATOM 0 HB2 LYS A 87 4.143 24.742 8.208 1.00 52.96 H new ATOM 0 HB3 LYS A 87 4.852 26.021 7.242 1.00 52.96 H new ATOM 0 HG2 LYS A 87 3.450 23.830 5.729 1.00 55.49 H new ATOM 0 HG3 LYS A 87 2.429 24.906 6.662 1.00 55.49 H new ATOM 0 HD2 LYS A 87 4.268 26.649 5.415 1.00 56.64 H new ATOM 0 HD3 LYS A 87 3.929 25.453 4.180 1.00 56.64 H new ATOM 0 HE2 LYS A 87 1.665 26.023 4.040 1.00 58.91 H new ATOM 0 HE3 LYS A 87 1.561 26.473 5.731 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 1.456 28.421 4.297 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 2.861 28.476 5.250 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 2.962 28.040 3.612 1.00 58.16 H new ATOM 1382 N MET B 1 3.044 17.322 -2.948 1.00 42.32 N ATOM 1383 CA MET B 1 1.663 17.065 -3.446 1.00 40.89 C ATOM 1384 C MET B 1 1.705 16.000 -4.540 1.00 34.75 C ATOM 1385 O MET B 1 2.331 16.177 -5.566 1.00 33.97 O ATOM 1386 CB MET B 1 1.076 18.357 -4.021 1.00 48.45 C ATOM 1387 CG MET B 1 -0.271 18.059 -4.691 1.00 56.13 C ATOM 1388 SD MET B 1 -1.563 19.056 -3.909 1.00 64.91 S ATOM 1389 CE MET B 1 -1.305 18.471 -2.216 1.00 63.43 C ATOM 0 H1 MET B 1 3.087 18.268 -2.518 1.00 42.32 H new ATOM 0 H2 MET B 1 3.295 16.606 -2.237 1.00 42.32 H new ATOM 0 H3 MET B 1 3.714 17.272 -3.742 1.00 42.32 H new ATOM 0 HA MET B 1 1.041 16.718 -2.621 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.944 19.092 -3.227 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.766 18.790 -4.745 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.218 18.283 -5.756 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.509 16.999 -4.600 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.232 18.572 -1.651 1.00 63.43 H new ATOM 0 HE2 MET B 1 -1.004 17.424 -2.235 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.524 19.064 -1.741 1.00 63.43 H new ATOM 1401 N ILE B 2 1.030 14.902 -4.338 1.00 28.59 N ATOM 1402 CA ILE B 2 1.019 13.837 -5.379 1.00 24.58 C ATOM 1403 C ILE B 2 0.382 14.416 -6.639 1.00 19.29 C ATOM 1404 O ILE B 2 -0.792 14.247 -6.894 1.00 19.53 O ATOM 1405 CB ILE B 2 0.208 12.646 -4.876 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.637 12.310 -3.450 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.464 11.436 -5.769 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.601 12.027 -2.613 1.00 33.80 C ATOM 0 H ILE B 2 0.487 14.697 -3.499 1.00 28.59 H new ATOM 0 HA ILE B 2 2.032 13.499 -5.597 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.852 12.898 -4.897 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.297 11.443 -3.450 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.200 13.139 -3.021 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.117 10.587 -5.407 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.167 11.669 -6.792 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.525 11.186 -5.747 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.303 11.786 -1.593 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.244 12.907 -2.605 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.145 11.185 -3.041 1.00 33.80 H new ATOM 1420 N LYS B 3 1.154 15.130 -7.407 1.00 18.14 N ATOM 1421 CA LYS B 3 0.616 15.775 -8.637 1.00 16.66 C ATOM 1422 C LYS B 3 -0.057 14.760 -9.550 1.00 14.94 C ATOM 1423 O LYS B 3 0.210 13.576 -9.500 1.00 13.94 O ATOM 1424 CB LYS B 3 1.756 16.460 -9.392 1.00 16.94 C ATOM 1425 CG LYS B 3 1.780 17.949 -9.045 1.00 17.85 C ATOM 1426 CD LYS B 3 1.899 18.769 -10.330 1.00 19.63 C ATOM 1427 CE LYS B 3 1.774 20.257 -10.001 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.802 21.048 -11.264 1.00 32.72 N ATOM 0 H LYS B 3 2.145 15.296 -7.234 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.132 16.509 -8.336 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.708 16.000 -9.129 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.625 16.329 -10.466 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.872 18.223 -8.509 1.00 17.85 H new ATOM 0 HG3 LYS B 3 2.619 18.166 -8.383 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.857 18.572 -10.812 1.00 19.63 H new ATOM 0 HD3 LYS B 3 1.121 18.475 -11.035 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.845 20.445 -9.462 1.00 26.28 H new ATOM 0 HE3 LYS B 3 2.590 20.566 -9.347 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.577 21.740 -11.223 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.951 20.409 -12.071 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.898 21.548 -11.381 1.00 32.72 H new ATOM 1442 N VAL B 4 -0.936 15.238 -10.390 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.654 14.339 -11.325 1.00 12.99 C ATOM 1444 C VAL B 4 -2.242 15.155 -12.477 1.00 14.26 C ATOM 1445 O VAL B 4 -2.324 16.366 -12.426 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.790 13.629 -10.586 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.549 12.718 -11.554 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.229 12.795 -9.432 1.00 10.41 C ATOM 0 H VAL B 4 -1.186 16.224 -10.465 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.953 13.602 -11.718 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.471 14.380 -10.185 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.357 12.215 -11.023 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -3.965 13.315 -12.365 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -2.866 11.974 -11.965 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.047 12.295 -8.914 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.538 12.049 -9.825 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -1.702 13.446 -8.735 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.654 14.484 -13.513 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.248 15.175 -14.688 1.00 10.51 C ATOM 1460 C GLU B 5 -4.220 14.226 -15.369 1.00 10.00 C ATOM 1461 O GLU B 5 -3.832 13.291 -16.037 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.142 15.561 -15.667 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.520 16.877 -15.216 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.306 17.200 -16.091 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.375 16.944 -17.282 1.00 22.12 O ATOM 1466 OE2 GLU B 5 0.671 17.695 -15.555 1.00 19.38 O ATOM 0 H GLU B 5 -2.603 13.469 -13.597 1.00 9.27 H new ATOM 0 HA GLU B 5 -3.770 16.076 -14.366 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.383 14.779 -15.706 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.548 15.661 -16.674 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.254 17.680 -15.285 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.219 16.809 -14.171 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.483 14.457 -15.207 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.471 13.556 -15.860 1.00 10.60 C ATOM 1475 C ILE B 6 -6.480 13.865 -17.365 1.00 10.16 C ATOM 1476 O ILE B 6 -7.008 14.869 -17.802 1.00 11.64 O ATOM 1477 CB ILE B 6 -7.866 13.742 -15.216 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.141 12.554 -14.288 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -8.960 13.796 -16.282 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -7.887 12.960 -12.834 1.00 13.81 C ATOM 0 H ILE B 6 -5.877 15.221 -14.658 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.197 12.511 -15.719 1.00 10.60 H new ATOM 0 HB ILE B 6 -7.873 14.681 -14.662 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.172 12.219 -14.407 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.500 11.715 -14.558 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -9.930 13.927 -15.802 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -8.772 14.633 -16.954 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -8.960 12.866 -16.851 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.084 12.111 -12.179 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -6.849 13.273 -12.720 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.546 13.786 -12.566 1.00 13.81 H new ATOM 1492 N LYS B 7 -5.879 13.011 -18.154 1.00 11.63 N ATOM 1493 CA LYS B 7 -5.824 13.246 -19.623 1.00 11.59 C ATOM 1494 C LYS B 7 -7.214 13.617 -20.146 1.00 12.98 C ATOM 1495 O LYS B 7 -8.186 13.545 -19.421 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.326 11.968 -20.304 1.00 12.52 C ATOM 1497 CG LYS B 7 -3.856 12.130 -20.718 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.059 12.830 -19.611 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.561 14.184 -20.118 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.357 15.278 -19.493 1.00 25.43 N ATOM 0 H LYS B 7 -5.422 12.156 -17.838 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.144 14.069 -19.843 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.430 11.121 -19.626 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.937 11.752 -21.180 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.421 11.152 -20.925 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -3.794 12.708 -21.640 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.685 12.968 -18.729 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.215 12.210 -19.309 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -1.505 14.307 -19.878 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.649 14.232 -21.203 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.716 16.025 -19.156 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.013 15.675 -20.196 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -3.898 14.898 -18.690 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.264 14.009 -21.396 1.00 13.56 N ATOM 1515 CA PRO B 8 -8.522 14.405 -22.051 1.00 11.93 C ATOM 1516 C PRO B 8 -9.352 13.169 -22.392 1.00 10.20 C ATOM 1517 O PRO B 8 -10.561 13.226 -22.494 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.057 15.134 -23.315 1.00 12.78 C ATOM 1519 CG PRO B 8 -6.619 14.639 -23.600 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.074 14.086 -22.270 1.00 13.61 C ATOM 0 HA PRO B 8 -9.159 15.029 -21.425 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -8.717 14.915 -24.155 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.074 16.214 -23.169 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -6.620 13.867 -24.369 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -5.994 15.453 -23.966 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.614 13.107 -22.404 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.312 14.741 -21.848 1.00 13.61 H new ATOM 1528 N SER B 9 -8.709 12.052 -22.550 1.00 10.65 N ATOM 1529 CA SER B 9 -9.450 10.801 -22.863 1.00 10.83 C ATOM 1530 C SER B 9 -9.768 10.072 -21.556 1.00 10.94 C ATOM 1531 O SER B 9 -10.367 9.014 -21.553 1.00 13.16 O ATOM 1532 CB SER B 9 -8.593 9.904 -23.757 1.00 13.01 C ATOM 1533 OG SER B 9 -9.177 8.609 -23.819 1.00 15.52 O ATOM 0 H SER B 9 -7.697 11.949 -22.476 1.00 10.65 H new ATOM 0 HA SER B 9 -10.376 11.042 -23.385 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.520 10.331 -24.757 1.00 13.01 H new ATOM 0 HB3 SER B 9 -7.579 9.840 -23.363 1.00 13.01 H new ATOM 0 HG SER B 9 -9.965 8.577 -23.238 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.376 10.634 -20.444 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.657 9.984 -19.138 1.00 11.55 C ATOM 1541 C GLN B 10 -10.581 10.888 -18.323 1.00 13.72 C ATOM 1542 O GLN B 10 -10.379 11.095 -17.145 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.351 9.778 -18.376 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.272 9.306 -19.345 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.501 7.834 -19.690 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.552 7.290 -19.415 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.556 7.161 -20.288 1.00 4.80 N ATOM 0 H GLN B 10 -8.872 11.519 -20.387 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.133 9.018 -19.304 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.045 10.708 -17.898 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.491 9.043 -17.583 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.294 9.910 -20.252 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.286 9.436 -18.899 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.673 7.617 -20.519 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -6.700 6.179 -20.524 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.582 11.444 -18.945 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.505 12.348 -18.198 1.00 18.95 C ATOM 1558 C ALA B 11 -13.864 11.670 -17.994 1.00 20.75 C ATOM 1559 O ALA B 11 -14.818 12.293 -17.571 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.696 13.644 -18.986 1.00 17.72 C ATOM 0 H ALA B 11 -11.802 11.314 -19.932 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.071 12.569 -17.223 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.370 14.305 -18.441 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.732 14.136 -19.116 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.122 13.416 -19.963 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.963 10.404 -18.288 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.257 9.698 -18.108 1.00 25.43 C ATOM 1568 C GLN B 12 -14.992 8.326 -17.468 1.00 22.80 C ATOM 1569 O GLN B 12 -14.101 7.607 -17.874 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.924 9.532 -19.482 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.775 8.264 -19.501 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.949 8.442 -20.465 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.843 8.131 -21.635 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.073 8.935 -20.021 1.00 47.90 N ATOM 0 H GLN B 12 -13.201 9.828 -18.646 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.919 10.269 -17.457 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.546 10.400 -19.701 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.163 9.481 -20.261 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.168 7.412 -19.807 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.145 8.048 -18.499 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.163 9.196 -19.039 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.862 9.059 -20.656 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.755 7.957 -16.472 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.542 6.642 -15.821 1.00 20.51 C ATOM 1585 C PHE B 13 -16.333 5.568 -16.559 1.00 18.83 C ATOM 1586 O PHE B 13 -17.088 5.848 -17.469 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.039 6.720 -14.383 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.456 7.249 -14.399 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.523 6.382 -14.659 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.700 8.609 -14.167 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.833 6.874 -14.684 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.009 9.100 -14.194 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.074 8.233 -14.452 1.00 18.48 C ATOM 0 H PHE B 13 -16.516 8.515 -16.085 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.481 6.391 -15.843 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.006 5.736 -13.916 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.396 7.374 -13.794 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.336 5.334 -14.840 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -16.877 9.279 -13.967 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.658 6.205 -14.882 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.197 10.148 -14.016 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.085 8.612 -14.472 1.00 18.48 H new ATOM 1603 N THR B 14 -16.176 4.341 -16.160 1.00 14.89 N ATOM 1604 CA THR B 14 -16.926 3.241 -16.819 1.00 13.37 C ATOM 1605 C THR B 14 -17.444 2.285 -15.746 1.00 11.97 C ATOM 1606 O THR B 14 -16.864 2.155 -14.686 1.00 10.76 O ATOM 1607 CB THR B 14 -16.005 2.486 -17.778 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.591 3.358 -18.821 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.756 1.295 -18.372 1.00 9.24 C ATOM 0 H THR B 14 -15.558 4.051 -15.402 1.00 14.89 H new ATOM 0 HA THR B 14 -17.762 3.654 -17.384 1.00 13.37 H new ATOM 0 HB THR B 14 -15.129 2.128 -17.237 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.999 2.875 -19.435 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.100 0.756 -19.056 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.072 0.627 -17.570 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.632 1.651 -18.914 1.00 9.24 H new ATOM 1617 N THR B 15 -18.530 1.617 -16.008 1.00 13.20 N ATOM 1618 CA THR B 15 -19.080 0.675 -14.996 1.00 12.54 C ATOM 1619 C THR B 15 -18.426 -0.696 -15.170 1.00 14.34 C ATOM 1620 O THR B 15 -18.566 -1.337 -16.193 1.00 17.35 O ATOM 1621 CB THR B 15 -20.593 0.547 -15.182 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.054 1.585 -16.036 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.286 0.656 -13.823 1.00 8.30 C ATOM 0 H THR B 15 -19.060 1.682 -16.877 1.00 13.20 H new ATOM 0 HA THR B 15 -18.871 1.054 -13.996 1.00 12.54 H new ATOM 0 HB THR B 15 -20.824 -0.420 -15.629 1.00 11.88 H new ATOM 0 HG1 THR B 15 -22.023 1.503 -16.157 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.364 0.565 -13.956 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.932 -0.141 -13.169 1.00 8.30 H new ATOM 0 HG23 THR B 15 -21.056 1.622 -13.374 1.00 8.30 H new ATOM 1816 N LEU B 28 -19.208 -0.422 -9.703 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.831 0.994 -9.436 1.00 16.31 C ATOM 1818 C LEU B 28 -18.291 1.640 -10.712 1.00 14.21 C ATOM 1819 O LEU B 28 -18.024 0.977 -11.695 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.760 1.037 -8.346 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.986 2.260 -7.456 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.145 1.811 -6.001 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -16.786 3.204 -7.571 1.00 22.01 C ATOM 0 HA LEU B 28 -19.712 1.544 -9.105 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.798 0.127 -7.748 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.769 1.081 -8.797 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.889 2.780 -7.776 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.306 2.683 -5.367 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.000 1.140 -5.919 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.243 1.291 -5.680 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -16.947 4.076 -6.937 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -15.883 2.685 -7.252 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.673 3.525 -8.607 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.127 2.933 -10.698 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.603 3.637 -11.905 1.00 9.77 C ATOM 1837 C ASN B 29 -16.104 3.890 -11.724 1.00 7.94 C ATOM 1838 O ASN B 29 -15.682 4.512 -10.769 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.331 4.978 -12.115 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.154 5.365 -10.877 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.828 4.541 -10.290 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.142 6.602 -10.467 1.00 12.89 N ATOM 0 H ASN B 29 -18.333 3.536 -9.901 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.775 3.012 -12.781 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.603 5.760 -12.329 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.987 4.906 -12.983 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.697 6.876 -9.656 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.578 7.296 -10.957 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.294 3.405 -12.627 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.822 3.611 -12.498 1.00 13.16 C ATOM 1851 C GLU B 30 -13.339 4.601 -13.561 1.00 12.26 C ATOM 1852 O GLU B 30 -13.966 4.782 -14.586 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.103 2.274 -12.688 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.258 1.428 -11.424 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.935 0.727 -11.114 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.589 -0.190 -11.841 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -11.290 1.118 -10.155 1.00 38.01 O ATOM 0 H GLU B 30 -15.588 2.875 -13.448 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.602 4.011 -11.508 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.518 1.745 -13.546 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.047 2.443 -12.898 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -13.553 2.059 -10.585 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.049 0.691 -11.562 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.226 5.243 -13.323 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.699 6.220 -14.318 1.00 9.46 C ATOM 1866 C GLN B 31 -10.173 6.102 -14.389 1.00 10.09 C ATOM 1867 O GLN B 31 -9.581 5.220 -13.798 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.085 7.641 -13.893 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.524 8.442 -15.119 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.486 9.526 -15.402 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.376 9.228 -15.794 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.798 10.780 -15.212 1.00 12.39 N ATOM 0 H GLN B 31 -11.659 5.132 -12.482 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.125 6.007 -15.298 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.892 7.606 -13.161 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.238 8.130 -13.411 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.626 7.784 -15.982 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.501 8.893 -14.944 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.731 11.029 -14.883 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.109 11.510 -15.393 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.530 6.984 -15.107 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.044 6.921 -15.214 1.00 10.34 C ATOM 1883 C LEU B 32 -7.459 8.323 -15.013 1.00 9.02 C ATOM 1884 O LEU B 32 -8.137 9.317 -15.178 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.653 6.393 -16.597 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.157 4.958 -16.756 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.493 4.966 -17.502 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.131 4.146 -17.551 1.00 15.89 C ATOM 0 H LEU B 32 -9.970 7.745 -15.624 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.651 6.252 -14.449 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.079 7.028 -17.374 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.570 6.425 -16.717 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.295 4.508 -15.773 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.852 3.943 -17.616 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.222 5.546 -16.936 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.357 5.414 -18.486 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.487 3.122 -17.666 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.994 4.595 -18.535 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.180 4.141 -17.019 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.204 8.412 -14.660 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.575 9.745 -14.451 1.00 8.10 C ATOM 1902 C CYS B 33 -4.070 9.603 -14.660 1.00 6.34 C ATOM 1903 O CYS B 33 -3.572 8.522 -14.891 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.838 10.243 -13.022 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.580 10.005 -12.586 1.00 13.84 S ATOM 0 H CYS B 33 -5.587 7.614 -14.507 1.00 9.68 H new ATOM 0 HA CYS B 33 -5.998 10.461 -15.155 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.203 9.704 -12.319 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -5.577 11.298 -12.943 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.306 10.041 -13.664 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.340 10.676 -14.576 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.868 10.583 -14.769 1.00 7.08 C ATOM 1913 C TYR B 34 -1.169 11.222 -13.568 1.00 7.71 C ATOM 1914 O TYR B 34 -1.231 12.419 -13.380 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.480 11.337 -16.039 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.706 10.468 -17.257 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -0.686 9.626 -17.715 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -2.924 10.530 -17.943 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -0.879 8.851 -18.858 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -3.120 9.748 -19.086 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.095 8.911 -19.543 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.287 8.144 -20.674 1.00 21.14 O ATOM 0 H TYR B 34 -3.697 11.612 -14.383 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.569 9.539 -14.858 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.069 12.251 -16.122 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.433 11.636 -15.987 1.00 8.67 H new ATOM 0 HD1 TYR B 34 0.252 9.576 -17.182 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -3.711 11.180 -17.591 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -0.090 8.205 -19.213 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -4.061 9.790 -19.615 1.00 17.22 H new ATOM 0 HH TYR B 34 -3.187 8.303 -21.028 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.512 10.444 -12.747 1.00 9.44 N ATOM 1933 CA VAL B 35 0.168 11.038 -11.562 1.00 10.66 C ATOM 1934 C VAL B 35 1.597 11.443 -11.916 1.00 10.57 C ATOM 1935 O VAL B 35 2.228 10.870 -12.782 1.00 8.31 O ATOM 1936 CB VAL B 35 0.184 10.039 -10.405 1.00 10.22 C ATOM 1937 CG1 VAL B 35 1.122 10.553 -9.308 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.233 9.906 -9.843 1.00 9.86 C ATOM 0 H VAL B 35 -0.418 9.433 -12.846 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.385 11.926 -11.257 1.00 10.66 H new ATOM 0 HB VAL B 35 0.533 9.068 -10.756 1.00 10.22 H new ATOM 0 HG11 VAL B 35 1.137 9.844 -8.480 1.00 7.97 H new ATOM 0 HG12 VAL B 35 2.129 10.661 -9.711 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.768 11.520 -8.951 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.231 9.195 -9.017 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.575 10.877 -9.485 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -1.903 9.551 -10.626 1.00 9.86 H new ATOM 1948 N ASP B 36 2.106 12.436 -11.240 1.00 8.58 N ATOM 1949 CA ASP B 36 3.485 12.905 -11.508 1.00 11.48 C ATOM 1950 C ASP B 36 4.261 12.975 -10.190 1.00 12.38 C ATOM 1951 O ASP B 36 4.060 12.173 -9.300 1.00 11.89 O ATOM 1952 CB ASP B 36 3.437 14.291 -12.148 1.00 16.17 C ATOM 1953 CG ASP B 36 2.201 14.403 -13.042 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.051 13.568 -13.919 1.00 25.89 O ATOM 1955 OD2 ASP B 36 1.425 15.321 -12.835 1.00 15.67 O ATOM 0 H ASP B 36 1.615 12.945 -10.505 1.00 8.58 H new ATOM 0 HA ASP B 36 3.982 12.211 -12.187 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.409 15.059 -11.375 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.339 14.463 -12.735 1.00 16.17 H new ATOM 1960 N LEU B 37 5.148 13.927 -10.055 1.00 13.17 N ATOM 1961 CA LEU B 37 5.932 14.036 -8.794 1.00 18.47 C ATOM 1962 C LEU B 37 6.866 12.838 -8.684 1.00 21.14 C ATOM 1963 O LEU B 37 8.073 12.967 -8.724 1.00 24.24 O ATOM 1964 CB LEU B 37 4.984 14.043 -7.599 1.00 15.81 C ATOM 1965 CG LEU B 37 5.679 14.710 -6.414 1.00 20.59 C ATOM 1966 CD1 LEU B 37 7.039 14.049 -6.173 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.880 16.197 -6.717 1.00 20.01 C ATOM 0 H LEU B 37 5.361 14.630 -10.762 1.00 13.17 H new ATOM 0 HA LEU B 37 6.510 14.960 -8.803 1.00 18.47 H new ATOM 0 HB2 LEU B 37 4.068 14.579 -7.848 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.696 13.024 -7.341 1.00 15.81 H new ATOM 0 HG LEU B 37 5.063 14.598 -5.522 1.00 20.59 H new ATOM 0 HD11 LEU B 37 7.531 14.528 -5.327 1.00 14.72 H new ATOM 0 HD12 LEU B 37 6.896 12.990 -5.958 1.00 14.72 H new ATOM 0 HD13 LEU B 37 7.659 14.158 -7.063 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.376 16.676 -5.873 1.00 20.01 H new ATOM 0 HD22 LEU B 37 6.496 16.306 -7.610 1.00 20.01 H new ATOM 0 HD23 LEU B 37 4.912 16.668 -6.884 1.00 20.01 H new ATOM 1979 N GLY B 38 6.310 11.671 -8.550 1.00 20.70 N ATOM 1980 CA GLY B 38 7.152 10.455 -8.441 1.00 23.91 C ATOM 1981 C GLY B 38 7.544 9.992 -9.845 1.00 26.50 C ATOM 1982 O GLY B 38 8.148 8.953 -10.021 1.00 31.02 O ATOM 0 H GLY B 38 5.304 11.507 -8.511 1.00 20.70 H new ATOM 0 HA2 GLY B 38 8.044 10.667 -7.852 1.00 23.91 H new ATOM 0 HA3 GLY B 38 6.608 9.666 -7.923 1.00 23.91 H new ATOM 1986 N ASN B 39 7.207 10.763 -10.846 1.00 27.64 N ATOM 1987 CA ASN B 39 7.556 10.384 -12.241 1.00 30.27 C ATOM 1988 C ASN B 39 7.450 11.621 -13.134 1.00 26.79 C ATOM 1989 O ASN B 39 6.369 12.105 -13.408 1.00 26.87 O ATOM 1990 CB ASN B 39 6.591 9.309 -12.761 1.00 35.62 C ATOM 1991 CG ASN B 39 6.281 8.294 -11.660 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.074 7.415 -11.386 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.148 8.373 -11.016 1.00 39.63 N ATOM 0 H ASN B 39 6.702 11.644 -10.753 1.00 27.64 H new ATOM 0 HA ASN B 39 8.571 9.988 -12.258 1.00 30.27 H new ATOM 0 HB2 ASN B 39 5.668 9.775 -13.105 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.031 8.801 -13.619 1.00 35.62 H new ATOM 0 HD21 ASN B 39 4.929 7.697 -10.284 1.00 39.63 H new ATOM 0 HD22 ASN B 39 4.482 9.110 -11.245 1.00 39.63 H new ATOM 2000 N GLU B 40 8.563 12.134 -13.584 1.00 25.15 N ATOM 2001 CA GLU B 40 8.542 13.340 -14.460 1.00 23.81 C ATOM 2002 C GLU B 40 7.371 13.245 -15.432 1.00 21.12 C ATOM 2003 O GLU B 40 6.467 14.057 -15.424 1.00 19.86 O ATOM 2004 CB GLU B 40 9.855 13.427 -15.242 1.00 27.22 C ATOM 2005 CG GLU B 40 10.934 14.061 -14.361 1.00 34.87 C ATOM 2006 CD GLU B 40 12.316 13.630 -14.856 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.422 12.529 -15.370 1.00 39.54 O ATOM 2008 OE2 GLU B 40 13.244 14.408 -14.713 1.00 42.34 O ATOM 0 H GLU B 40 9.492 11.766 -13.381 1.00 25.15 H new ATOM 0 HA GLU B 40 8.428 14.233 -13.845 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.168 12.432 -15.559 1.00 27.22 H new ATOM 0 HB3 GLU B 40 9.714 14.020 -16.146 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.849 15.147 -14.388 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.796 13.757 -13.323 1.00 34.87 H new ATOM 2015 N HIS B 41 7.376 12.244 -16.254 1.00 6.58 N ATOM 2016 CA HIS B 41 6.257 12.064 -17.222 1.00 5.92 C ATOM 2017 C HIS B 41 5.015 11.629 -16.443 1.00 4.67 C ATOM 2018 O HIS B 41 5.120 11.233 -15.299 1.00 3.78 O ATOM 2019 CB HIS B 41 6.634 10.991 -18.247 1.00 6.41 C ATOM 2020 CG HIS B 41 7.465 11.615 -19.335 1.00 6.37 C ATOM 2021 ND1 HIS B 41 8.728 12.131 -19.095 1.00 7.30 N ATOM 2022 CD2 HIS B 41 7.225 11.817 -20.671 1.00 6.59 C ATOM 2023 CE1 HIS B 41 9.197 12.615 -20.259 1.00 8.34 C ATOM 2024 NE2 HIS B 41 8.320 12.449 -21.253 1.00 8.23 N ATOM 0 H HIS B 41 8.108 11.536 -16.302 1.00 6.58 H new ATOM 0 HA HIS B 41 6.058 12.997 -17.750 1.00 5.92 H new ATOM 0 HB2 HIS B 41 7.191 10.189 -17.763 1.00 6.41 H new ATOM 0 HB3 HIS B 41 5.735 10.544 -18.671 1.00 6.41 H new ATOM 0 HD2 HIS B 41 6.324 11.529 -21.192 1.00 6.59 H new ATOM 0 HE1 HIS B 41 10.164 13.081 -20.376 1.00 8.34 H new ATOM 0 HE2 HIS B 41 8.429 12.726 -22.229 1.00 8.23 H new ATOM 2032 N PRO B 42 3.873 11.724 -17.069 1.00 15.11 N ATOM 2033 CA PRO B 42 2.603 11.354 -16.427 1.00 16.08 C ATOM 2034 C PRO B 42 2.430 9.835 -16.418 1.00 17.92 C ATOM 2035 O PRO B 42 2.749 9.155 -17.372 1.00 17.13 O ATOM 2036 CB PRO B 42 1.547 12.004 -17.316 1.00 16.41 C ATOM 2037 CG PRO B 42 2.204 12.200 -18.698 1.00 13.79 C ATOM 2038 CD PRO B 42 3.731 12.204 -18.460 1.00 16.28 C ATOM 0 HA PRO B 42 2.543 11.678 -15.388 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.662 11.373 -17.393 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.223 12.958 -16.901 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.920 11.399 -19.380 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.880 13.136 -19.153 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.247 11.550 -19.163 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.152 13.202 -18.584 1.00 16.28 H new ATOM 2046 N VAL B 43 1.913 9.303 -15.349 1.00 16.29 N ATOM 2047 CA VAL B 43 1.702 7.833 -15.277 1.00 14.28 C ATOM 2048 C VAL B 43 0.205 7.541 -15.269 1.00 9.00 C ATOM 2049 O VAL B 43 -0.495 7.868 -14.333 1.00 7.99 O ATOM 2050 CB VAL B 43 2.327 7.283 -13.999 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.828 7.580 -13.986 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.666 7.937 -12.782 1.00 20.57 C ATOM 0 H VAL B 43 1.627 9.824 -14.520 1.00 16.29 H new ATOM 0 HA VAL B 43 2.169 7.359 -16.140 1.00 14.28 H new ATOM 0 HB VAL B 43 2.174 6.205 -13.961 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.269 7.185 -13.071 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.300 7.109 -14.849 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.986 8.658 -14.029 1.00 18.07 H new ATOM 0 HG21 VAL B 43 2.113 7.543 -11.869 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.815 9.016 -12.823 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.598 7.718 -12.786 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.292 6.925 -16.303 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.743 6.618 -16.353 1.00 11.55 C ATOM 2064 C LEU B 44 -2.084 5.577 -15.288 1.00 10.61 C ATOM 2065 O LEU B 44 -1.703 4.427 -15.380 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.104 6.076 -17.733 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.598 5.779 -17.782 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.380 7.022 -17.350 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -3.996 5.395 -19.210 1.00 20.21 C ATOM 0 H LEU B 44 0.245 6.621 -17.115 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.311 7.528 -16.163 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.840 6.802 -18.502 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.534 5.170 -17.941 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.827 4.954 -17.107 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.449 6.810 -17.385 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.097 7.295 -16.333 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.152 7.848 -18.024 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.065 5.183 -19.245 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.767 6.219 -19.886 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.440 4.509 -19.517 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.802 5.977 -14.278 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.177 5.020 -13.200 1.00 9.29 C ATOM 2083 C VAL B 45 -4.702 4.973 -13.080 1.00 9.95 C ATOM 2084 O VAL B 45 -5.389 5.914 -13.422 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.563 5.479 -11.876 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.289 6.731 -11.379 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.699 4.362 -10.837 1.00 10.20 C ATOM 0 H VAL B 45 -3.147 6.929 -14.151 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.802 4.025 -13.440 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.508 5.710 -12.027 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.850 7.056 -10.436 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.191 7.526 -12.118 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.344 6.504 -11.229 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -2.262 4.688 -9.893 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.754 4.130 -10.688 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -2.178 3.472 -11.190 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.238 3.882 -12.608 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.719 3.774 -12.481 1.00 12.81 C ATOM 2099 C LYS B 46 -7.208 4.626 -11.307 1.00 13.35 C ATOM 2100 O LYS B 46 -6.521 4.799 -10.320 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.104 2.311 -12.243 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.520 2.057 -12.765 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.748 0.551 -12.903 1.00 33.77 C ATOM 2104 CE LYS B 46 -9.074 0.213 -14.358 1.00 34.48 C ATOM 2105 NZ LYS B 46 -9.320 -1.252 -14.484 1.00 36.74 N ATOM 0 H LYS B 46 -4.715 3.060 -12.305 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.183 4.132 -13.400 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.397 1.652 -12.747 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.052 2.080 -11.179 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -9.254 2.486 -12.082 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.657 2.547 -13.729 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.859 0.008 -12.583 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -9.565 0.236 -12.254 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -9.953 0.770 -14.684 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.249 0.511 -15.006 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -9.542 -1.483 -15.473 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -8.470 -1.773 -14.189 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -10.120 -1.523 -13.877 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.397 5.154 -11.409 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.949 5.988 -10.309 1.00 16.93 C ATOM 2121 C ILE B 47 -10.435 5.653 -10.135 1.00 16.52 C ATOM 2122 O ILE B 47 -11.213 5.749 -11.064 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.767 7.475 -10.658 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.725 8.307 -9.377 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -9.921 7.957 -11.534 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.471 9.178 -9.385 1.00 18.26 C ATOM 0 H ILE B 47 -9.013 5.041 -12.214 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.424 5.783 -9.376 1.00 16.93 H new ATOM 0 HB ILE B 47 -7.830 7.593 -11.202 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.616 8.931 -9.305 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.723 7.654 -8.505 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -9.780 9.011 -11.774 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -9.946 7.375 -12.455 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -10.862 7.829 -10.999 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.436 9.774 -8.473 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.587 8.543 -9.437 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.494 9.840 -10.250 1.00 18.26 H new ATOM 2138 N THR B 48 -10.836 5.250 -8.962 1.00 16.86 N ATOM 2139 CA THR B 48 -12.269 4.898 -8.747 1.00 16.59 C ATOM 2140 C THR B 48 -13.148 6.134 -8.954 1.00 19.04 C ATOM 2141 O THR B 48 -12.702 7.257 -8.830 1.00 22.56 O ATOM 2142 CB THR B 48 -12.456 4.374 -7.322 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.296 3.655 -6.928 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.673 3.449 -7.274 1.00 16.02 C ATOM 0 H THR B 48 -10.236 5.149 -8.144 1.00 16.86 H new ATOM 0 HA THR B 48 -12.559 4.129 -9.463 1.00 16.59 H new ATOM 0 HB THR B 48 -12.612 5.212 -6.643 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.541 2.731 -6.714 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.806 3.076 -6.259 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.562 4.002 -7.577 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.519 2.610 -7.952 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.400 5.929 -9.265 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.322 7.080 -9.475 1.00 18.82 C ATOM 2154 C LEU B 49 -16.501 6.956 -8.505 1.00 20.06 C ATOM 2155 O LEU B 49 -17.265 6.013 -8.558 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.835 7.073 -10.920 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.813 8.493 -11.475 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -16.796 9.368 -10.691 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.400 9.067 -11.343 1.00 14.50 C ATOM 0 H LEU B 49 -14.825 5.009 -9.383 1.00 18.35 H new ATOM 0 HA LEU B 49 -14.793 8.015 -9.292 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.214 6.421 -11.534 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.848 6.673 -10.955 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.104 8.477 -12.525 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -16.778 10.382 -11.090 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -17.802 8.959 -10.785 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.508 9.386 -9.640 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.381 10.082 -11.739 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.110 9.082 -10.292 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.701 8.446 -11.903 1.00 14.50 H new ATOM 2171 N ASP B 50 -16.650 7.897 -7.611 1.00 22.62 N ATOM 2172 CA ASP B 50 -17.772 7.827 -6.631 1.00 27.04 C ATOM 2173 C ASP B 50 -19.076 7.494 -7.358 1.00 27.73 C ATOM 2174 O ASP B 50 -19.339 7.982 -8.439 1.00 26.65 O ATOM 2175 CB ASP B 50 -17.914 9.175 -5.920 1.00 29.11 C ATOM 2176 CG ASP B 50 -17.510 9.023 -4.452 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.311 8.511 -3.688 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -16.406 9.421 -4.117 1.00 30.76 O ATOM 0 H ASP B 50 -16.043 8.711 -7.517 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.560 7.048 -5.898 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.286 9.922 -6.405 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -18.943 9.529 -5.990 1.00 29.11 H new ATOM 2183 N GLU B 51 -19.896 6.667 -6.769 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.185 6.301 -7.420 1.00 34.22 C ATOM 2185 C GLU B 51 -22.014 7.566 -7.658 1.00 34.98 C ATOM 2186 O GLU B 51 -22.517 8.172 -6.733 1.00 34.19 O ATOM 2187 CB GLU B 51 -21.962 5.344 -6.511 1.00 38.24 C ATOM 2188 CG GLU B 51 -22.836 4.423 -7.365 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.076 4.012 -6.568 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -23.910 3.541 -5.454 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.169 4.175 -7.084 1.00 53.83 O ATOM 0 H GLU B 51 -19.728 6.229 -5.863 1.00 31.16 H new ATOM 0 HA GLU B 51 -20.985 5.813 -8.374 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.270 4.753 -5.912 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.582 5.910 -5.816 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.132 4.933 -8.282 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -22.271 3.539 -7.660 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.158 7.969 -8.891 1.00 34.53 N ATOM 2199 CA GLY B 52 -22.953 9.194 -9.187 1.00 34.93 C ATOM 2200 C GLY B 52 -22.010 10.381 -9.387 1.00 36.10 C ATOM 2201 O GLY B 52 -22.389 11.402 -9.926 1.00 35.97 O ATOM 0 H GLY B 52 -21.759 7.503 -9.706 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.556 9.041 -10.082 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.643 9.399 -8.368 1.00 34.93 H new ATOM 2205 N GLN B 53 -20.784 10.257 -8.958 1.00 36.52 N ATOM 2206 CA GLN B 53 -19.818 11.380 -9.123 1.00 35.40 C ATOM 2207 C GLN B 53 -19.394 11.480 -10.590 1.00 31.02 C ATOM 2208 O GLN B 53 -19.363 10.491 -11.295 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.584 11.120 -8.259 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.632 12.010 -7.016 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.260 12.651 -6.794 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.860 13.529 -7.532 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -16.517 12.245 -5.800 1.00 54.76 N ATOM 0 H GLN B 53 -20.409 9.426 -8.500 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.292 12.312 -8.816 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.547 10.071 -7.966 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.678 11.324 -8.830 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.391 12.783 -7.138 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -18.915 11.420 -6.144 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -16.853 11.508 -5.180 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -15.601 12.665 -5.643 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.074 12.679 -11.004 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.639 12.953 -12.382 1.00 23.44 C ATOM 2224 C PRO B 54 -17.177 12.541 -12.567 1.00 20.14 C ATOM 2225 O PRO B 54 -16.302 12.999 -11.859 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.802 14.466 -12.520 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.776 15.037 -11.086 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.116 13.873 -10.137 1.00 28.37 C ATOM 0 HA PRO B 54 -19.209 12.402 -13.130 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -17.999 14.890 -13.122 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.739 14.712 -13.020 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.795 15.452 -10.853 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.498 15.846 -10.979 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.396 13.800 -9.322 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.099 14.002 -9.683 1.00 28.37 H new ATOM 2236 N ALA B 55 -16.908 11.674 -13.506 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.508 11.224 -13.735 1.00 15.58 C ATOM 2238 C ALA B 55 -14.541 12.402 -13.604 1.00 16.41 C ATOM 2239 O ALA B 55 -14.864 13.527 -13.933 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.395 10.635 -15.138 1.00 13.98 C ATOM 0 H ALA B 55 -17.602 11.257 -14.126 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.251 10.471 -12.990 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.371 10.303 -15.312 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.072 9.786 -15.232 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.660 11.394 -15.874 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.353 12.146 -13.129 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.355 13.240 -12.979 1.00 14.61 C ATOM 2248 C TYR B 56 -12.300 14.051 -14.275 1.00 15.51 C ATOM 2249 O TYR B 56 -11.927 13.550 -15.316 1.00 17.19 O ATOM 2250 CB TYR B 56 -10.977 12.632 -12.687 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.015 11.934 -11.343 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.500 10.623 -11.252 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.584 12.602 -10.193 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.551 9.980 -10.010 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.637 11.960 -8.951 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.119 10.649 -8.859 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.171 10.017 -7.633 1.00 12.03 O ATOM 0 H TYR B 56 -13.031 11.223 -12.838 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.642 13.894 -12.155 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.705 11.924 -13.470 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.215 13.412 -12.684 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.835 10.108 -12.141 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.210 13.613 -10.263 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -11.923 8.969 -9.940 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.306 12.476 -8.062 1.00 7.90 H new ATOM 0 HH TYR B 56 -10.833 10.621 -6.939 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.677 15.300 -14.222 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.647 16.143 -15.451 1.00 14.95 C ATOM 2269 C ALA B 57 -11.196 16.331 -15.910 1.00 15.46 C ATOM 2270 O ALA B 57 -10.278 15.873 -15.259 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.264 17.508 -15.143 1.00 14.98 C ATOM 0 H ALA B 57 -13.005 15.773 -13.380 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.216 15.654 -16.242 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.244 18.127 -16.040 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.296 17.376 -14.817 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -12.693 17.995 -14.353 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.037 17.004 -17.022 1.00 15.20 N ATOM 2278 CA PRO B 58 -9.711 17.279 -17.605 1.00 16.55 C ATOM 2279 C PRO B 58 -9.033 18.438 -16.868 1.00 16.75 C ATOM 2280 O PRO B 58 -9.406 19.584 -17.021 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.030 17.664 -19.052 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.503 18.138 -19.064 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.165 17.552 -17.803 1.00 13.96 C ATOM 0 HA PRO B 58 -9.027 16.434 -17.534 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.365 18.455 -19.399 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -9.890 16.814 -19.720 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.560 19.227 -19.061 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.013 17.795 -19.964 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -12.702 18.317 -17.243 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -12.888 16.776 -18.057 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.040 18.152 -16.069 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.348 19.243 -15.328 1.00 15.08 C ATOM 2293 C GLY B 59 -6.209 18.660 -14.487 1.00 14.96 C ATOM 2294 O GLY B 59 -6.014 17.464 -14.438 1.00 13.79 O ATOM 0 H GLY B 59 -7.680 17.213 -15.899 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -6.954 19.978 -16.030 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.057 19.764 -14.685 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.460 19.500 -13.821 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.341 18.998 -12.972 1.00 14.53 C ATOM 2300 C LEU B 60 -4.930 18.355 -11.719 1.00 14.15 C ATOM 2301 O LEU B 60 -5.928 18.811 -11.200 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.451 20.176 -12.563 1.00 15.84 C ATOM 2303 CG LEU B 60 -1.992 19.861 -12.888 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -1.204 21.167 -13.019 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.392 19.011 -11.766 1.00 15.01 C ATOM 0 H LEU B 60 -5.576 20.513 -13.829 1.00 15.83 H new ATOM 0 HA LEU B 60 -3.749 18.268 -13.525 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -3.763 21.079 -13.088 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.561 20.373 -11.497 1.00 15.84 H new ATOM 0 HG LEU B 60 -1.939 19.311 -13.828 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -0.163 20.942 -13.251 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -1.632 21.771 -13.819 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -1.256 21.719 -12.080 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.351 18.786 -11.997 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.444 19.560 -10.826 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.953 18.081 -11.675 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.340 17.301 -11.221 1.00 11.12 N ATOM 2318 CA TYR B 61 -4.907 16.664 -10.007 1.00 9.57 C ATOM 2319 C TYR B 61 -3.840 16.426 -8.959 1.00 11.76 C ATOM 2320 O TYR B 61 -2.658 16.418 -9.226 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.550 15.331 -10.371 1.00 9.42 C ATOM 2322 CG TYR B 61 -6.920 15.605 -10.915 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.065 16.032 -12.235 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.042 15.456 -10.093 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -8.336 16.311 -12.739 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.313 15.733 -10.597 1.00 13.03 C ATOM 2327 CZ TYR B 61 -9.458 16.161 -11.918 1.00 11.06 C ATOM 2328 OH TYR B 61 -10.712 16.425 -12.423 1.00 14.61 O ATOM 0 H TYR B 61 -3.501 16.861 -11.599 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.655 17.342 -9.596 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -4.945 14.807 -11.111 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.611 14.686 -9.494 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.196 16.146 -12.865 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -7.925 15.127 -9.071 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -8.453 16.642 -13.760 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.182 15.617 -9.967 1.00 13.03 H new ATOM 0 HH TYR B 61 -10.668 16.468 -13.401 1.00 14.61 H new ATOM 2338 N THR B 62 -4.279 16.205 -7.765 1.00 12.22 N ATOM 2339 CA THR B 62 -3.358 15.925 -6.651 1.00 14.26 C ATOM 2340 C THR B 62 -4.050 14.893 -5.788 1.00 15.40 C ATOM 2341 O THR B 62 -5.141 15.110 -5.301 1.00 16.24 O ATOM 2342 CB THR B 62 -3.099 17.187 -5.844 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.280 17.559 -5.147 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.681 18.309 -6.790 1.00 11.61 C ATOM 0 H THR B 62 -5.266 16.207 -7.509 1.00 12.22 H new ATOM 0 HA THR B 62 -2.395 15.568 -7.015 1.00 14.26 H new ATOM 0 HB THR B 62 -2.303 17.004 -5.122 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.665 16.770 -4.711 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.494 19.217 -6.217 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.773 18.020 -7.319 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.478 18.493 -7.511 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.461 13.760 -5.625 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.140 12.719 -4.826 1.00 15.17 C ATOM 2354 C VAL B 63 -4.532 13.295 -3.471 1.00 14.24 C ATOM 2355 O VAL B 63 -4.102 14.365 -3.086 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.246 11.501 -4.661 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.118 10.305 -4.285 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.532 11.212 -5.988 1.00 18.64 C ATOM 0 H VAL B 63 -2.549 13.506 -6.004 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.042 12.398 -5.347 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.504 11.683 -3.883 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.491 9.422 -4.163 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.638 10.513 -3.350 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.848 10.125 -5.074 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.890 10.339 -5.873 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.272 11.019 -6.765 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -1.926 12.073 -6.270 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.364 12.601 -2.757 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.815 13.107 -1.433 1.00 10.78 C ATOM 2370 C HIS B 64 -5.625 12.010 -0.384 1.00 14.19 C ATOM 2371 O HIS B 64 -6.039 10.879 -0.577 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.297 13.485 -1.518 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.618 14.543 -0.498 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.088 14.524 0.783 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.436 15.646 -0.546 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.591 15.575 1.448 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.419 16.295 0.686 1.00 20.65 N ATOM 0 H HIS B 64 -5.755 11.700 -3.032 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.231 13.983 -1.152 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.531 13.850 -2.518 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -7.916 12.604 -1.347 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.005 15.962 -1.408 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.355 15.811 2.475 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -8.929 17.138 0.950 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.006 12.331 0.726 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.792 11.307 1.785 1.00 14.44 C ATOM 2387 C LEU B 65 -6.117 10.989 2.485 1.00 12.66 C ATOM 2388 O LEU B 65 -6.166 10.182 3.392 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.769 11.822 2.806 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.439 12.792 3.763 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.445 12.193 5.172 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.683 14.120 3.769 1.00 19.03 C ATOM 0 H LEU B 65 -4.641 13.259 0.941 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.410 10.395 1.326 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.343 10.986 3.361 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.945 12.316 2.291 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.465 12.969 3.440 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.926 12.888 5.861 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.994 11.251 5.165 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.420 12.013 5.495 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.168 14.812 4.457 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.655 13.952 4.089 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.686 14.545 2.765 1.00 19.03 H new ATOM 2404 N SER B 66 -7.199 11.593 2.064 1.00 13.51 N ATOM 2405 CA SER B 66 -8.501 11.283 2.706 1.00 10.39 C ATOM 2406 C SER B 66 -8.709 9.772 2.614 1.00 8.56 C ATOM 2407 O SER B 66 -9.497 9.188 3.331 1.00 11.70 O ATOM 2408 CB SER B 66 -9.626 12.004 1.963 1.00 12.88 C ATOM 2409 OG SER B 66 -10.820 11.238 2.061 1.00 14.72 O ATOM 0 H SER B 66 -7.233 12.280 1.311 1.00 13.51 H new ATOM 0 HA SER B 66 -8.506 11.611 3.746 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.781 12.996 2.388 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.355 12.144 0.917 1.00 12.88 H new ATOM 0 HG SER B 66 -11.544 11.698 1.587 1.00 14.72 H new ATOM 2415 N SER B 67 -7.995 9.144 1.716 1.00 7.98 N ATOM 2416 CA SER B 67 -8.119 7.676 1.533 1.00 8.20 C ATOM 2417 C SER B 67 -6.981 6.949 2.263 1.00 11.02 C ATOM 2418 O SER B 67 -6.926 5.735 2.279 1.00 11.45 O ATOM 2419 CB SER B 67 -8.044 7.354 0.041 1.00 8.01 C ATOM 2420 OG SER B 67 -8.903 8.236 -0.669 1.00 11.22 O ATOM 0 H SER B 67 -7.324 9.597 1.096 1.00 7.98 H new ATOM 0 HA SER B 67 -9.072 7.344 1.945 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.019 7.459 -0.315 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.338 6.319 -0.136 1.00 8.01 H new ATOM 0 HG SER B 67 -9.260 7.779 -1.459 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.059 7.671 2.845 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.921 7.000 3.541 1.00 11.79 C ATOM 2428 C PHE B 68 -5.316 6.642 4.972 1.00 12.69 C ATOM 2429 O PHE B 68 -6.212 7.225 5.550 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.709 7.938 3.574 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.401 8.450 2.185 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.114 7.986 1.067 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.417 9.432 2.025 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.841 8.509 -0.200 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.143 9.948 0.756 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.857 9.489 -0.353 1.00 11.87 C ATOM 0 H PHE B 68 -6.044 8.691 2.869 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.667 6.089 2.998 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.908 8.776 4.242 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.843 7.410 3.974 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.872 7.226 1.186 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.869 9.791 2.883 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.390 8.156 -1.060 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.379 10.702 0.633 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.648 9.893 -1.332 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.640 5.688 5.548 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.953 5.282 6.945 1.00 15.38 C ATOM 2448 C LYS B 69 -3.705 4.665 7.575 1.00 15.02 C ATOM 2449 O LYS B 69 -2.700 4.470 6.920 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.083 4.252 6.943 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.814 3.198 5.867 1.00 20.35 C ATOM 2452 CD LYS B 69 -5.997 1.801 6.463 1.00 21.35 C ATOM 2453 CE LYS B 69 -7.477 1.569 6.775 1.00 30.24 C ATOM 2454 NZ LYS B 69 -7.610 0.449 7.749 1.00 32.70 N ATOM 0 H LYS B 69 -3.880 5.169 5.108 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.266 6.155 7.518 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.158 3.777 7.921 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.037 4.744 6.754 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.495 3.339 5.027 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.802 3.309 5.479 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -5.639 1.046 5.763 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -5.403 1.701 7.371 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -7.920 2.477 7.186 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.020 1.335 5.859 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -8.616 0.291 7.961 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -7.202 -0.416 7.341 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -7.105 0.690 8.626 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.758 4.356 8.838 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.569 3.751 9.502 1.00 13.49 C ATOM 2470 C VAL B 70 -2.896 2.322 9.933 1.00 11.85 C ATOM 2471 O VAL B 70 -3.692 2.096 10.823 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.181 4.571 10.728 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.671 4.471 10.951 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.573 6.036 10.518 1.00 15.63 C ATOM 0 H VAL B 70 -4.570 4.495 9.440 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.737 3.742 8.798 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.705 4.182 11.601 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.393 5.057 11.827 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.395 3.428 11.109 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.148 4.856 10.076 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.294 6.617 11.397 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.055 6.429 9.643 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.650 6.106 10.364 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.282 1.357 9.310 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.548 -0.061 9.682 1.00 11.07 C ATOM 2486 C GLY B 71 -1.670 -0.445 10.875 1.00 12.15 C ATOM 2487 O GLY B 71 -1.036 0.395 11.483 1.00 12.70 O ATOM 0 H GLY B 71 -1.606 1.488 8.558 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.600 -0.191 9.934 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.339 -0.716 8.836 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.624 -1.704 11.217 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.784 -2.126 12.370 1.00 19.42 C ATOM 2493 C GLN B 72 0.616 -2.486 11.875 1.00 16.97 C ATOM 2494 O GLN B 72 1.360 -3.194 12.524 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.423 -3.336 13.056 1.00 22.64 C ATOM 2496 CG GLN B 72 -0.497 -3.845 14.163 1.00 25.29 C ATOM 2497 CD GLN B 72 0.144 -5.167 13.733 1.00 26.29 C ATOM 2498 OE1 GLN B 72 0.471 -5.993 14.563 1.00 26.22 O ATOM 2499 NE2 GLN B 72 0.339 -5.407 12.464 1.00 25.15 N ATOM 0 H GLN B 72 -2.131 -2.455 10.749 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.711 -1.308 13.087 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.391 -3.060 13.475 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -1.605 -4.126 12.328 1.00 22.64 H new ATOM 0 HG2 GLN B 72 0.276 -3.106 14.372 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.060 -3.986 15.085 1.00 25.29 H new ATOM 0 HE21 GLN B 72 0.065 -4.715 11.766 1.00 25.15 H new ATOM 0 HE22 GLN B 72 0.765 -6.286 12.171 1.00 25.15 H new ATOM 2508 N PHE B 73 0.978 -1.993 10.730 1.00 14.56 N ATOM 2509 CA PHE B 73 2.329 -2.289 10.176 1.00 14.60 C ATOM 2510 C PHE B 73 3.310 -1.208 10.634 1.00 15.63 C ATOM 2511 O PHE B 73 4.510 -1.349 10.506 1.00 17.80 O ATOM 2512 CB PHE B 73 2.262 -2.298 8.647 1.00 12.63 C ATOM 2513 CG PHE B 73 2.299 -3.722 8.144 1.00 14.99 C ATOM 2514 CD1 PHE B 73 3.359 -4.564 8.501 1.00 16.27 C ATOM 2515 CD2 PHE B 73 1.273 -4.199 7.319 1.00 19.79 C ATOM 2516 CE1 PHE B 73 3.393 -5.884 8.032 1.00 20.44 C ATOM 2517 CE2 PHE B 73 1.307 -5.518 6.851 1.00 18.68 C ATOM 2518 CZ PHE B 73 2.367 -6.360 7.207 1.00 17.88 C ATOM 0 H PHE B 73 0.395 -1.393 10.147 1.00 14.56 H new ATOM 0 HA PHE B 73 2.664 -3.263 10.531 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.349 -1.807 8.311 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.098 -1.734 8.233 1.00 12.63 H new ATOM 0 HD1 PHE B 73 4.150 -4.196 9.138 1.00 16.27 H new ATOM 0 HD2 PHE B 73 0.455 -3.549 7.044 1.00 19.79 H new ATOM 0 HE1 PHE B 73 4.211 -6.534 8.307 1.00 20.44 H new ATOM 0 HE2 PHE B 73 0.515 -5.886 6.215 1.00 18.68 H new ATOM 0 HZ PHE B 73 2.393 -7.377 6.845 1.00 17.88 H new ATOM 2528 N GLY B 74 2.806 -0.128 11.168 1.00 13.82 N ATOM 2529 CA GLY B 74 3.706 0.964 11.633 1.00 13.44 C ATOM 2530 C GLY B 74 4.043 1.884 10.459 1.00 10.42 C ATOM 2531 O GLY B 74 5.134 2.410 10.363 1.00 13.62 O ATOM 0 H GLY B 74 1.810 0.044 11.302 1.00 13.82 H new ATOM 0 HA2 GLY B 74 3.224 1.533 12.428 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.620 0.543 12.052 1.00 13.44 H new ATOM 2535 N SER B 75 3.115 2.083 9.562 1.00 12.64 N ATOM 2536 CA SER B 75 3.387 2.969 8.395 1.00 12.47 C ATOM 2537 C SER B 75 2.067 3.359 7.725 1.00 12.47 C ATOM 2538 O SER B 75 1.102 2.622 7.756 1.00 11.32 O ATOM 2539 CB SER B 75 4.267 2.225 7.388 1.00 11.21 C ATOM 2540 OG SER B 75 3.455 1.349 6.617 1.00 18.27 O ATOM 0 H SER B 75 2.182 1.671 9.587 1.00 12.64 H new ATOM 0 HA SER B 75 3.899 3.869 8.736 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.776 2.936 6.737 1.00 11.21 H new ATOM 0 HB3 SER B 75 5.040 1.660 7.909 1.00 11.21 H new ATOM 0 HG SER B 75 4.013 0.871 5.969 1.00 18.27 H new ATOM 2546 N LEU B 76 2.020 4.512 7.113 1.00 12.43 N ATOM 2547 CA LEU B 76 0.767 4.948 6.434 1.00 12.18 C ATOM 2548 C LEU B 76 0.458 3.984 5.287 1.00 12.07 C ATOM 2549 O LEU B 76 1.335 3.314 4.778 1.00 9.82 O ATOM 2550 CB LEU B 76 0.958 6.362 5.879 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.405 6.990 5.575 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -1.208 7.129 6.871 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.198 8.373 4.951 1.00 7.80 C ATOM 0 H LEU B 76 2.796 5.171 7.054 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.059 4.947 7.145 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.498 6.975 6.600 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.563 6.328 4.973 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.951 6.353 4.879 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -2.178 7.576 6.652 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -1.354 6.145 7.316 1.00 9.28 H new ATOM 0 HD13 LEU B 76 -0.664 7.765 7.569 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.167 8.823 4.733 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.349 9.008 5.648 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.372 8.274 4.027 1.00 7.80 H new ATOM 2565 N MET B 77 -0.777 3.903 4.874 1.00 14.08 N ATOM 2566 CA MET B 77 -1.123 2.976 3.762 1.00 14.12 C ATOM 2567 C MET B 77 -2.388 3.467 3.057 1.00 11.37 C ATOM 2568 O MET B 77 -3.465 3.472 3.621 1.00 11.44 O ATOM 2569 CB MET B 77 -1.366 1.573 4.324 1.00 16.48 C ATOM 2570 CG MET B 77 -0.055 1.005 4.869 1.00 24.75 C ATOM 2571 SD MET B 77 -0.328 -0.685 5.458 1.00 35.11 S ATOM 2572 CE MET B 77 1.371 -1.274 5.259 1.00 33.86 C ATOM 0 H MET B 77 -1.558 4.436 5.257 1.00 14.08 H new ATOM 0 HA MET B 77 -0.300 2.946 3.048 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.114 1.612 5.116 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.760 0.921 3.544 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.708 1.011 4.091 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.314 1.630 5.682 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.370 -2.359 5.150 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.812 -0.821 4.371 1.00 33.86 H new ATOM 0 HE3 MET B 77 1.957 -0.998 6.136 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.266 3.877 1.825 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.461 4.362 1.078 1.00 11.62 C ATOM 2584 C ILE B 78 -4.542 3.277 1.084 1.00 11.45 C ATOM 2585 O ILE B 78 -4.263 2.106 0.922 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.078 4.654 -0.370 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.195 5.900 -0.439 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.344 4.878 -1.199 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.873 5.550 -1.124 1.00 13.67 C ATOM 0 H ILE B 78 -1.390 3.897 1.303 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.834 5.268 1.555 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.525 3.804 -0.769 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.705 6.690 -0.990 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.007 6.282 0.565 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.070 5.087 -2.233 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.966 3.984 -1.162 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.900 5.724 -0.793 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.243 6.438 -1.174 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.362 4.774 -0.554 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.071 5.188 -2.133 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.773 3.664 1.244 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.885 2.666 1.234 1.00 14.79 C ATOM 2603 C ASP B 79 -7.642 2.799 -0.089 1.00 15.20 C ATOM 2604 O ASP B 79 -8.229 1.861 -0.592 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.834 2.941 2.402 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.959 1.904 2.403 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -9.875 2.051 1.611 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -8.886 0.980 3.197 1.00 24.06 O ATOM 0 H ASP B 79 -6.063 4.632 1.382 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.485 1.657 1.336 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.288 2.901 3.345 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.251 3.945 2.317 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.607 3.971 -0.650 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.286 4.239 -1.947 1.00 17.14 C ATOM 2615 C ARG B 80 -8.039 5.701 -2.283 1.00 14.98 C ATOM 2616 O ARG B 80 -8.927 6.529 -2.248 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.786 3.970 -1.829 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.447 4.205 -3.187 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.433 2.907 -3.997 1.00 28.43 C ATOM 2620 NE ARG B 80 -9.404 3.004 -5.072 1.00 33.10 N ATOM 2621 CZ ARG B 80 -9.003 1.929 -5.695 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -9.496 0.762 -5.377 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -8.104 2.019 -6.637 1.00 35.04 N ATOM 0 H ARG B 80 -7.123 4.777 -0.254 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.896 3.588 -2.729 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.959 2.946 -1.499 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.227 4.625 -1.078 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.472 4.548 -3.049 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.919 4.989 -3.729 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.215 2.061 -3.345 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.415 2.728 -4.434 1.00 28.43 H new ATOM 0 HE ARG B 80 -9.013 3.912 -5.321 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.197 0.688 -4.640 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -9.180 -0.076 -5.866 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -7.715 2.929 -6.886 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -7.790 1.180 -7.124 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.808 6.007 -2.563 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.388 7.400 -2.866 1.00 11.27 C ATOM 2639 C LEU B 81 -7.523 8.213 -3.503 1.00 15.61 C ATOM 2640 O LEU B 81 -7.999 7.911 -4.578 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.155 7.354 -3.778 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.561 7.449 -5.246 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.298 7.491 -6.111 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.394 6.216 -5.621 1.00 18.72 C ATOM 0 H LEU B 81 -6.049 5.326 -2.596 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.135 7.906 -1.934 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.482 8.174 -3.529 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.606 6.428 -3.607 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.151 8.351 -5.410 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.579 7.559 -7.162 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.699 8.360 -5.839 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.716 6.584 -5.949 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.686 6.280 -6.669 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.801 5.315 -5.464 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.287 6.177 -4.997 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.941 9.261 -2.844 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.018 10.117 -3.409 1.00 12.72 C ATOM 2658 C ARG B 82 -8.352 11.235 -4.207 1.00 13.33 C ATOM 2659 O ARG B 82 -7.736 12.123 -3.653 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.856 10.713 -2.276 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.339 10.448 -2.545 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.187 11.179 -1.505 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.286 11.916 -2.189 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.305 12.360 -1.504 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.367 12.158 -0.215 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.265 13.005 -2.109 1.00 16.89 N ATOM 0 H ARG B 82 -7.581 9.559 -1.938 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.676 9.531 -4.051 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.564 10.273 -1.323 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.675 11.785 -2.201 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.603 10.786 -3.547 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.540 9.377 -2.506 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.601 10.466 -0.792 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.567 11.873 -0.938 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.242 12.074 -3.196 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.618 11.652 0.259 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.164 12.506 0.318 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.219 13.162 -3.116 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.062 13.352 -1.575 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.437 11.182 -5.503 1.00 13.53 N ATOM 2681 CA LEU B 83 -7.773 12.222 -6.332 1.00 13.86 C ATOM 2682 C LEU B 83 -8.613 13.496 -6.391 1.00 13.02 C ATOM 2683 O LEU B 83 -9.825 13.474 -6.305 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.544 11.685 -7.745 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.750 12.700 -8.552 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -5.260 12.556 -8.232 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.982 12.447 -10.044 1.00 10.58 C ATOM 0 H LEU B 83 -8.938 10.463 -6.026 1.00 13.53 H new ATOM 0 HA LEU B 83 -6.815 12.467 -5.874 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.006 10.738 -7.703 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.500 11.487 -8.230 1.00 9.93 H new ATOM 0 HG LEU B 83 -7.076 13.708 -8.297 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -4.692 13.284 -8.811 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -5.098 12.732 -7.169 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -4.928 11.550 -8.488 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -6.415 13.172 -10.628 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.653 11.439 -10.298 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -8.043 12.549 -10.270 1.00 10.58 H new ATOM 2699 N VAL B 84 -7.954 14.610 -6.534 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.651 15.913 -6.602 1.00 12.86 C ATOM 2701 C VAL B 84 -7.850 16.834 -7.529 1.00 14.98 C ATOM 2702 O VAL B 84 -6.652 16.680 -7.652 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.697 16.504 -5.194 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.406 15.527 -4.255 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.269 16.746 -4.698 1.00 17.34 C ATOM 0 H VAL B 84 -6.938 14.668 -6.608 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.666 15.800 -6.984 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.241 17.449 -5.212 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.439 15.948 -3.250 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.422 15.354 -4.610 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -8.863 14.582 -4.235 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.299 17.168 -3.693 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.726 15.801 -4.679 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.764 17.441 -5.368 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.520 17.769 -8.150 1.00 18.65 N ATOM 2716 CA PRO B 85 -7.870 18.725 -9.062 1.00 22.41 C ATOM 2717 C PRO B 85 -6.840 19.577 -8.309 1.00 25.70 C ATOM 2718 O PRO B 85 -7.040 19.953 -7.171 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.030 19.546 -9.625 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.195 19.354 -8.642 1.00 18.95 C ATOM 2721 CD PRO B 85 -9.966 17.980 -7.989 1.00 20.63 C ATOM 0 HA PRO B 85 -7.301 18.248 -9.860 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.759 20.598 -9.710 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.301 19.205 -10.624 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.210 20.146 -7.893 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.154 19.387 -9.160 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.259 17.979 -6.939 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.544 17.198 -8.482 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.728 19.865 -8.935 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.665 20.668 -8.264 1.00 39.94 C ATOM 2731 C ALA B 86 -5.104 22.132 -8.185 1.00 46.96 C ATOM 2732 O ALA B 86 -5.286 22.790 -9.191 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.367 20.562 -9.072 1.00 39.70 C ATOM 0 H ALA B 86 -5.510 19.576 -9.889 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.499 20.288 -7.256 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.587 21.147 -8.586 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.057 19.519 -9.127 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.533 20.945 -10.079 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.276 22.648 -6.999 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.703 24.069 -6.860 1.00 55.12 C ATOM 2741 C LYS B 87 -6.875 24.343 -7.805 1.00 55.82 C ATOM 2742 O LYS B 87 -6.638 24.903 -8.863 1.00 58.05 O ATOM 2743 CB LYS B 87 -4.534 24.989 -7.217 1.00 52.96 C ATOM 2744 CG LYS B 87 -3.424 24.830 -6.177 1.00 55.49 C ATOM 2745 CD LYS B 87 -3.574 25.906 -5.100 1.00 56.64 C ATOM 2746 CE LYS B 87 -2.215 26.557 -4.838 1.00 58.91 C ATOM 2747 NZ LYS B 87 -2.413 27.988 -4.472 1.00 58.16 N ATOM 2748 OXT LYS B 87 -7.988 23.989 -7.454 1.00 57.66 O ATOM 0 H LYS B 87 -5.139 22.148 -6.121 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.013 24.257 -5.832 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -4.155 24.745 -8.209 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -4.870 26.025 -7.250 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -3.474 23.839 -5.725 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -2.448 24.913 -6.656 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -4.294 26.659 -5.421 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -3.961 25.465 -4.181 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -1.698 26.033 -4.034 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -1.586 26.481 -5.725 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -1.489 28.432 -4.294 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -2.890 28.483 -5.252 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -2.998 28.049 -3.614 1.00 58.16 H new