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 31 GLN : amide:sc= -10.1! C(o=-14!,f=-18!) USER MOD Set 1.2: B 33 CYS SG : rot -49:sc= -4.16! USER MOD Set 2.1: A 31 GLN : amide:sc= -10.4! C(o=-14!,f=-18!) USER MOD Set 2.2: A 33 CYS SG : rot -41:sc= -4.06! USER MOD Single : A 1 MET CE :methyl -146:sc= -0.577 (180deg=-2.73!) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.11 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 136:sc= -2.33! (180deg=-5.57!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -6.3! C(o=-6.3!,f=-10!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -5.86! C(o=-5.9!,f=-5.9!) USER MOD Single : A 41 HIS : no HE2:sc= -5.32! C(o=-5.3!,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.333 K(o=-0.33,f=-3.1!) USER MOD Single : A 56 TYR OH : rot 60:sc= -0.395 USER MOD Single : A 61 TYR OH : rot 22:sc= 0.799 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 64 HIS : no HD1:sc= -0.175 K(o=-0.18,f=-3.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -145:sc= -1.3 USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= -0.546 (180deg=-1.26) USER MOD Single : A 72 GLN : amide:sc= -4.63! C(o=-4.6!,f=-4.7!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.669 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -150:sc= -0.54 (180deg=-2.74!) USER MOD Single : B 1 MET N :NH3+ -125:sc= 0.0961 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 133:sc= -2.36! (180deg=-5.47!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -6.29! C(o=-6.3!,f=-11!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -11.5! C(o=-11!,f=-11!) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -5.88! C(o=-5.9!,f=-6.1!) USER MOD Single : B 41 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-12!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.279 K(o=-0.28,f=-3.1!) USER MOD Single : B 56 TYR OH : rot 60:sc= -0.532 USER MOD Single : B 61 TYR OH : rot 21:sc= 0.749 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.436 USER MOD Single : B 64 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-3.7!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -134:sc= -1.23 USER MOD Single : B 69 LYS NZ :NH3+ -151:sc= -0.587 (180deg=-1.33) USER MOD Single : B 72 GLN : amide:sc= -4.73! C(o=-4.7!,f=-4.9!) USER MOD Single : B 75 SER OG : rot 180:sc= -0.636 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.679 18.320 3.984 1.00 42.32 N ATOM 2 CA MET A 1 -1.924 17.147 3.459 1.00 40.89 C ATOM 3 C MET A 1 -1.819 16.081 4.546 1.00 34.75 C ATOM 4 O MET A 1 -2.551 16.090 5.516 1.00 33.97 O ATOM 5 CB MET A 1 -0.512 17.587 3.053 1.00 48.45 C ATOM 6 CG MET A 1 0.336 17.833 4.308 1.00 56.13 C ATOM 7 SD MET A 1 1.016 19.509 4.248 1.00 64.91 S ATOM 8 CE MET A 1 1.707 19.411 2.579 1.00 63.43 C ATOM 0 H1 MET A 1 -3.472 18.536 3.347 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.046 18.101 4.932 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.046 19.143 4.040 1.00 42.32 H new ATOM 0 HA MET A 1 -2.447 16.741 2.593 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.047 16.821 2.433 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.563 18.496 2.453 1.00 48.45 H new ATOM 0 HG2 MET A 1 -0.273 17.707 5.203 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.143 17.102 4.365 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.624 19.999 2.530 1.00 63.43 H new ATOM 0 HE2 MET A 1 1.929 18.371 2.338 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.985 19.804 1.863 1.00 63.43 H new ATOM 20 N ILE A 2 -0.893 15.177 4.401 1.00 28.59 N ATOM 21 CA ILE A 2 -0.718 14.126 5.436 1.00 24.58 C ATOM 22 C ILE A 2 0.041 14.745 6.600 1.00 19.29 C ATOM 23 O ILE A 2 1.231 14.562 6.755 1.00 19.53 O ATOM 24 CB ILE A 2 0.078 12.961 4.858 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.349 12.729 3.408 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.197 11.702 5.682 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.350 11.486 2.868 1.00 33.80 C ATOM 0 H ILE A 2 -0.251 15.121 3.611 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.686 13.751 5.769 1.00 24.58 H new ATOM 0 HB ILE A 2 1.143 13.190 4.891 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.430 12.605 3.351 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -0.095 13.596 2.799 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.371 10.867 5.271 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.103 11.871 6.716 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.261 11.469 5.647 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.047 11.318 1.834 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.430 11.628 2.911 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.073 10.622 3.472 1.00 33.80 H new ATOM 39 N LYS A 3 -0.641 15.506 7.400 1.00 18.14 N ATOM 40 CA LYS A 3 0.028 16.182 8.540 1.00 16.66 C ATOM 41 C LYS A 3 0.492 15.164 9.579 1.00 14.94 C ATOM 42 O LYS A 3 0.122 14.007 9.557 1.00 13.94 O ATOM 43 CB LYS A 3 -0.941 17.175 9.186 1.00 16.94 C ATOM 44 CG LYS A 3 -0.804 18.536 8.499 1.00 17.85 C ATOM 45 CD LYS A 3 -1.821 19.516 9.087 1.00 19.63 C ATOM 46 CE LYS A 3 -1.105 20.499 10.016 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.249 21.883 9.482 1.00 32.72 N ATOM 0 H LYS A 3 -1.640 15.691 7.314 1.00 18.14 H new ATOM 0 HA LYS A 3 0.903 16.713 8.165 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.965 16.812 9.097 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.727 17.269 10.251 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.207 18.922 8.633 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.965 18.430 7.426 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.325 20.057 8.286 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.589 18.973 9.637 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.526 20.440 11.020 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.050 20.237 10.097 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.762 22.551 10.113 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -0.828 21.934 8.533 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.258 22.131 9.427 1.00 32.72 H new ATOM 61 N VAL A 4 1.307 15.611 10.487 1.00 12.42 N ATOM 62 CA VAL A 4 1.832 14.717 11.554 1.00 12.99 C ATOM 63 C VAL A 4 2.704 15.545 12.494 1.00 14.26 C ATOM 64 O VAL A 4 3.171 16.613 12.153 1.00 13.80 O ATOM 65 CB VAL A 4 2.666 13.583 10.927 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.374 14.104 9.683 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.715 13.066 11.926 1.00 10.41 C ATOM 0 H VAL A 4 1.638 16.574 10.537 1.00 12.42 H new ATOM 0 HA VAL A 4 1.005 14.273 12.108 1.00 12.99 H new ATOM 0 HB VAL A 4 1.997 12.764 10.662 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.965 13.303 9.238 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.634 14.453 8.962 1.00 14.46 H new ATOM 0 HG13 VAL A 4 4.031 14.930 9.957 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.294 12.266 11.465 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.382 13.881 12.207 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.213 12.685 12.815 1.00 10.41 H new ATOM 77 N GLU A 5 2.928 15.051 13.670 1.00 9.27 N ATOM 78 CA GLU A 5 3.773 15.790 14.641 1.00 10.51 C ATOM 79 C GLU A 5 4.759 14.824 15.274 1.00 10.00 C ATOM 80 O GLU A 5 4.390 13.910 15.984 1.00 10.96 O ATOM 81 CB GLU A 5 2.890 16.411 15.723 1.00 10.42 C ATOM 82 CG GLU A 5 2.328 17.736 15.209 1.00 18.68 C ATOM 83 CD GLU A 5 1.548 18.431 16.326 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.562 17.869 16.773 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.950 19.515 16.715 1.00 19.38 O ATOM 0 H GLU A 5 2.561 14.161 14.006 1.00 9.27 H new ATOM 0 HA GLU A 5 4.316 16.584 14.128 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.077 15.732 15.981 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.468 16.575 16.632 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.139 18.377 14.865 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.677 17.559 14.353 1.00 18.68 H new ATOM 92 N ILE A 6 6.016 15.019 15.021 1.00 9.86 N ATOM 93 CA ILE A 6 7.030 14.112 15.620 1.00 10.60 C ATOM 94 C ILE A 6 7.146 14.458 17.112 1.00 10.16 C ATOM 95 O ILE A 6 7.798 15.413 17.487 1.00 11.64 O ATOM 96 CB ILE A 6 8.381 14.274 14.882 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.529 13.143 13.862 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.552 14.206 15.859 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.105 13.636 12.478 1.00 13.81 C ATOM 0 H ILE A 6 6.387 15.762 14.429 1.00 9.86 H new ATOM 0 HA ILE A 6 6.734 13.068 15.518 1.00 10.60 H new ATOM 0 HB ILE A 6 8.391 15.246 14.389 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.563 12.798 13.835 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.917 12.291 14.158 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.488 14.323 15.313 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.459 15.005 16.595 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.546 13.242 16.367 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.212 12.827 11.755 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.064 13.959 12.510 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.736 14.474 12.181 1.00 13.81 H new ATOM 111 N LYS A 7 6.497 13.698 17.963 1.00 11.63 N ATOM 112 CA LYS A 7 6.548 13.987 19.422 1.00 11.59 C ATOM 113 C LYS A 7 7.984 14.315 19.839 1.00 12.98 C ATOM 114 O LYS A 7 8.908 14.137 19.071 1.00 9.79 O ATOM 115 CB LYS A 7 6.047 12.760 20.188 1.00 12.52 C ATOM 116 CG LYS A 7 4.621 13.005 20.698 1.00 14.26 C ATOM 117 CD LYS A 7 3.772 13.666 19.608 1.00 15.70 C ATOM 118 CE LYS A 7 3.361 15.066 20.060 1.00 19.19 C ATOM 119 NZ LYS A 7 4.153 16.086 19.317 1.00 25.43 N ATOM 0 H LYS A 7 5.934 12.888 17.703 1.00 11.63 H new ATOM 0 HA LYS A 7 5.915 14.845 19.650 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.064 11.884 19.539 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.711 12.549 21.027 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.168 12.060 20.998 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.648 13.641 21.583 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.337 13.724 18.678 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.887 13.063 19.406 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.296 15.218 19.882 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.524 15.175 21.132 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.525 16.854 19.006 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.891 16.473 19.939 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.597 15.644 18.487 1.00 25.43 H new ATOM 133 N PRO A 8 8.126 14.786 21.052 1.00 13.56 N ATOM 134 CA PRO A 8 9.439 15.156 21.608 1.00 11.93 C ATOM 135 C PRO A 8 10.232 13.900 21.955 1.00 10.20 C ATOM 136 O PRO A 8 11.447 13.885 21.920 1.00 12.05 O ATOM 137 CB PRO A 8 9.088 15.966 22.860 1.00 12.78 C ATOM 138 CG PRO A 8 7.650 15.555 23.255 1.00 12.51 C ATOM 139 CD PRO A 8 6.996 14.982 21.983 1.00 13.61 C ATOM 0 HA PRO A 8 10.062 15.722 20.916 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.788 15.755 23.668 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.145 17.036 22.659 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.664 14.812 24.053 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.089 16.413 23.627 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.481 14.043 22.188 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.256 15.668 21.572 1.00 13.61 H new ATOM 147 N SER A 9 9.550 12.841 22.269 1.00 10.65 N ATOM 148 CA SER A 9 10.253 11.572 22.597 1.00 10.83 C ATOM 149 C SER A 9 10.332 10.711 21.335 1.00 10.94 C ATOM 150 O SER A 9 10.713 9.558 21.380 1.00 13.16 O ATOM 151 CB SER A 9 9.480 10.822 23.683 1.00 13.01 C ATOM 152 OG SER A 9 10.186 10.916 24.913 1.00 15.52 O ATOM 0 H SER A 9 8.532 12.797 22.314 1.00 10.65 H new ATOM 0 HA SER A 9 11.257 11.789 22.961 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.481 11.244 23.791 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.356 9.777 23.401 1.00 13.01 H new ATOM 0 HG SER A 9 9.692 10.438 25.611 1.00 15.52 H new ATOM 158 N GLN A 10 9.965 11.262 20.206 1.00 10.02 N ATOM 159 CA GLN A 10 10.010 10.475 18.942 1.00 11.55 C ATOM 160 C GLN A 10 10.833 11.225 17.891 1.00 13.72 C ATOM 161 O GLN A 10 10.677 11.013 16.706 1.00 17.31 O ATOM 162 CB GLN A 10 8.591 10.279 18.416 1.00 6.60 C ATOM 163 CG GLN A 10 7.630 10.178 19.594 1.00 7.20 C ATOM 164 CD GLN A 10 7.947 8.928 20.416 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.332 9.023 21.564 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.800 7.751 19.873 1.00 4.80 N ATOM 0 H GLN A 10 9.637 12.223 20.107 1.00 10.02 H new ATOM 0 HA GLN A 10 10.470 9.507 19.141 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.310 11.113 17.773 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.537 9.376 17.809 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.713 11.067 20.220 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.602 10.137 19.234 1.00 7.20 H new ATOM 0 HE21 GLN A 10 7.477 7.671 18.909 1.00 4.80 H new ATOM 0 HE22 GLN A 10 8.008 6.911 20.413 1.00 4.80 H new ATOM 175 N ALA A 11 11.697 12.110 18.310 1.00 15.28 N ATOM 176 CA ALA A 11 12.511 12.877 17.323 1.00 18.95 C ATOM 177 C ALA A 11 13.874 12.209 17.131 1.00 20.75 C ATOM 178 O ALA A 11 14.791 12.797 16.592 1.00 24.78 O ATOM 179 CB ALA A 11 12.711 14.306 17.831 1.00 17.72 C ATOM 0 H ALA A 11 11.874 12.335 19.289 1.00 15.28 H new ATOM 0 HA ALA A 11 11.987 12.895 16.367 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.306 14.868 17.111 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.741 14.787 17.955 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.229 14.282 18.790 1.00 17.72 H new ATOM 185 N GLN A 12 14.018 10.988 17.563 1.00 22.50 N ATOM 186 CA GLN A 12 15.325 10.294 17.398 1.00 25.43 C ATOM 187 C GLN A 12 15.094 8.872 16.888 1.00 22.80 C ATOM 188 O GLN A 12 14.166 8.201 17.293 1.00 20.93 O ATOM 189 CB GLN A 12 16.048 10.246 18.741 1.00 30.18 C ATOM 190 CG GLN A 12 16.828 11.543 18.928 1.00 42.11 C ATOM 191 CD GLN A 12 17.477 11.561 20.313 1.00 46.61 C ATOM 192 OE1 GLN A 12 16.817 11.333 21.308 1.00 46.27 O ATOM 193 NE2 GLN A 12 18.750 11.824 20.421 1.00 47.90 N ATOM 0 H GLN A 12 13.289 10.442 18.022 1.00 22.50 H new ATOM 0 HA GLN A 12 15.934 10.838 16.677 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.330 10.117 19.551 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.724 9.391 18.775 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.593 11.633 18.157 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.162 12.398 18.817 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.304 12.015 19.586 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.192 11.838 21.340 1.00 47.90 H new ATOM 202 N PHE A 13 15.932 8.406 16.004 1.00 21.61 N ATOM 203 CA PHE A 13 15.759 7.029 15.473 1.00 20.51 C ATOM 204 C PHE A 13 16.609 6.063 16.290 1.00 18.83 C ATOM 205 O PHE A 13 17.617 6.433 16.857 1.00 18.83 O ATOM 206 CB PHE A 13 16.226 6.980 14.023 1.00 19.56 C ATOM 207 CG PHE A 13 17.684 7.369 13.979 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.678 6.413 14.217 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.041 8.697 13.711 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.027 6.786 14.185 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.386 9.069 13.681 1.00 14.07 C ATOM 212 CZ PHE A 13 20.378 8.117 13.917 1.00 18.48 C ATOM 0 H PHE A 13 16.728 8.921 15.628 1.00 21.61 H new ATOM 0 HA PHE A 13 14.707 6.749 15.535 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.088 5.979 13.614 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.633 7.660 13.410 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.405 5.389 14.425 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.274 9.435 13.527 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.796 6.050 14.366 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.659 10.094 13.475 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.418 8.406 13.893 1.00 18.48 H new ATOM 222 N THR A 14 16.222 4.824 16.340 1.00 14.89 N ATOM 223 CA THR A 14 17.024 3.835 17.103 1.00 13.37 C ATOM 224 C THR A 14 17.633 2.832 16.126 1.00 11.97 C ATOM 225 O THR A 14 17.082 2.558 15.078 1.00 10.76 O ATOM 226 CB THR A 14 16.134 3.100 18.107 1.00 13.68 C ATOM 227 OG1 THR A 14 15.617 4.028 19.050 1.00 13.48 O ATOM 228 CG2 THR A 14 16.956 2.036 18.831 1.00 9.24 C ATOM 0 H THR A 14 15.387 4.453 15.887 1.00 14.89 H new ATOM 0 HA THR A 14 17.815 4.350 17.647 1.00 13.37 H new ATOM 0 HB THR A 14 15.308 2.622 17.581 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.045 3.558 19.692 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.323 1.512 19.547 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.350 1.324 18.105 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.783 2.512 19.358 1.00 9.24 H new ATOM 236 N THR A 15 18.769 2.288 16.455 1.00 13.20 N ATOM 237 CA THR A 15 19.417 1.310 15.541 1.00 12.54 C ATOM 238 C THR A 15 19.239 -0.105 16.096 1.00 14.34 C ATOM 239 O THR A 15 19.646 -0.406 17.201 1.00 17.35 O ATOM 240 CB THR A 15 20.908 1.631 15.437 1.00 11.88 C ATOM 241 OG1 THR A 15 21.161 2.895 16.033 1.00 17.15 O ATOM 242 CG2 THR A 15 21.324 1.666 13.967 1.00 8.30 C ATOM 0 H THR A 15 19.277 2.479 17.318 1.00 13.20 H new ATOM 0 HA THR A 15 18.958 1.372 14.554 1.00 12.54 H new ATOM 0 HB THR A 15 21.482 0.863 15.955 1.00 11.88 H new ATOM 0 HG1 THR A 15 22.117 3.102 15.969 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.387 1.895 13.895 1.00 8.30 H new ATOM 0 HG22 THR A 15 21.130 0.695 13.511 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.752 2.433 13.445 1.00 8.30 H new ATOM 435 N LEU A 28 18.909 -1.062 10.233 1.00 18.57 N ATOM 436 CA LEU A 28 18.411 0.247 9.731 1.00 16.31 C ATOM 437 C LEU A 28 17.846 1.074 10.889 1.00 14.21 C ATOM 438 O LEU A 28 17.345 0.544 11.861 1.00 16.97 O ATOM 439 CB LEU A 28 17.322 -0.004 8.684 1.00 16.48 C ATOM 440 CG LEU A 28 16.016 -0.388 9.378 1.00 22.19 C ATOM 441 CD1 LEU A 28 15.006 0.753 9.230 1.00 24.00 C ATOM 442 CD2 LEU A 28 15.452 -1.657 8.734 1.00 22.01 C ATOM 0 HA LEU A 28 19.233 0.802 9.279 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.174 0.890 8.079 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.632 -0.800 8.007 1.00 16.48 H new ATOM 0 HG LEU A 28 16.205 -0.570 10.436 1.00 22.19 H new ATOM 0 HD11 LEU A 28 14.074 0.480 9.725 1.00 24.00 H new ATOM 0 HD12 LEU A 28 15.409 1.657 9.687 1.00 24.00 H new ATOM 0 HD13 LEU A 28 14.816 0.935 8.172 1.00 24.00 H new ATOM 0 HD21 LEU A 28 14.520 -1.932 9.228 1.00 22.01 H new ATOM 0 HD22 LEU A 28 15.262 -1.475 7.676 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.172 -2.469 8.839 1.00 22.01 H new ATOM 454 N ASN A 29 17.924 2.373 10.788 1.00 11.64 N ATOM 455 CA ASN A 29 17.395 3.245 11.873 1.00 9.77 C ATOM 456 C ASN A 29 15.864 3.213 11.855 1.00 7.94 C ATOM 457 O ASN A 29 15.247 3.032 10.824 1.00 10.52 O ATOM 458 CB ASN A 29 17.856 4.682 11.637 1.00 14.73 C ATOM 459 CG ASN A 29 19.365 4.795 11.848 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.018 3.831 12.195 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.951 5.947 11.650 1.00 12.89 N ATOM 0 H ASN A 29 18.333 2.869 9.996 1.00 11.64 H new ATOM 0 HA ASN A 29 17.763 2.886 12.834 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.599 4.992 10.624 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.335 5.355 12.318 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.958 6.037 11.787 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.401 6.755 11.359 1.00 12.89 H new ATOM 468 N GLU A 30 15.250 3.403 12.988 1.00 8.58 N ATOM 469 CA GLU A 30 13.760 3.402 13.048 1.00 13.16 C ATOM 470 C GLU A 30 13.302 4.592 13.896 1.00 12.26 C ATOM 471 O GLU A 30 13.818 4.832 14.969 1.00 10.58 O ATOM 472 CB GLU A 30 13.273 2.100 13.689 1.00 14.93 C ATOM 473 CG GLU A 30 13.115 1.028 12.609 1.00 27.13 C ATOM 474 CD GLU A 30 13.871 -0.238 13.021 1.00 33.28 C ATOM 475 OE1 GLU A 30 14.485 -0.224 14.075 1.00 38.01 O ATOM 476 OE2 GLU A 30 13.822 -1.202 12.275 1.00 40.03 O ATOM 0 H GLU A 30 15.717 3.560 13.881 1.00 8.58 H new ATOM 0 HA GLU A 30 13.348 3.481 12.042 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.983 1.767 14.446 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.322 2.265 14.195 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.059 0.800 12.461 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.498 1.398 11.658 1.00 27.13 H new ATOM 483 N GLN A 31 12.346 5.345 13.425 1.00 10.34 N ATOM 484 CA GLN A 31 11.877 6.521 14.212 1.00 9.46 C ATOM 485 C GLN A 31 10.373 6.413 14.469 1.00 10.09 C ATOM 486 O GLN A 31 9.743 5.426 14.147 1.00 9.36 O ATOM 487 CB GLN A 31 12.162 7.806 13.426 1.00 7.25 C ATOM 488 CG GLN A 31 12.612 8.912 14.386 1.00 10.62 C ATOM 489 CD GLN A 31 11.600 10.059 14.354 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.448 9.859 14.025 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.986 11.262 14.682 1.00 12.39 N ATOM 0 H GLN A 31 11.871 5.198 12.534 1.00 10.34 H new ATOM 0 HA GLN A 31 12.405 6.544 15.166 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.935 7.623 12.680 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.268 8.120 12.888 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.698 8.517 15.398 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.599 9.276 14.101 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.953 11.430 14.958 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.320 12.034 14.662 1.00 12.39 H new ATOM 500 N LEU A 32 9.798 7.432 15.046 1.00 6.80 N ATOM 501 CA LEU A 32 8.337 7.413 15.329 1.00 10.34 C ATOM 502 C LEU A 32 7.775 8.820 15.121 1.00 9.02 C ATOM 503 O LEU A 32 8.474 9.803 15.264 1.00 11.15 O ATOM 504 CB LEU A 32 8.103 6.972 16.777 1.00 10.20 C ATOM 505 CG LEU A 32 8.488 5.500 16.931 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.780 5.395 17.745 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.365 4.754 17.656 1.00 15.89 C ATOM 0 H LEU A 32 10.282 8.282 15.335 1.00 6.80 H new ATOM 0 HA LEU A 32 7.837 6.714 14.658 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.695 7.586 17.456 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.057 7.115 17.047 1.00 10.20 H new ATOM 0 HG LEU A 32 8.642 5.058 15.947 1.00 16.38 H new ATOM 0 HD11 LEU A 32 10.056 4.346 17.856 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.579 5.928 17.230 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.626 5.836 18.730 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.638 3.704 17.767 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.212 5.195 18.641 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.445 4.831 17.077 1.00 15.89 H new ATOM 519 N CYS A 33 6.518 8.930 14.787 1.00 9.68 N ATOM 520 CA CYS A 33 5.915 10.274 14.572 1.00 8.10 C ATOM 521 C CYS A 33 4.428 10.174 14.870 1.00 6.34 C ATOM 522 O CYS A 33 3.941 9.135 15.260 1.00 8.02 O ATOM 523 CB CYS A 33 6.112 10.735 13.119 1.00 8.88 C ATOM 524 SG CYS A 33 7.595 9.977 12.406 1.00 13.84 S ATOM 0 H CYS A 33 5.882 8.144 14.654 1.00 9.68 H new ATOM 0 HA CYS A 33 6.398 10.999 15.228 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.238 10.467 12.525 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.200 11.821 13.085 1.00 8.88 H new ATOM 0 HG CYS A 33 8.550 9.977 13.289 1.00 13.84 H new ATOM 530 N TYR A 34 3.697 11.233 14.699 1.00 7.35 N ATOM 531 CA TYR A 34 2.243 11.164 14.991 1.00 7.08 C ATOM 532 C TYR A 34 1.449 11.714 13.811 1.00 7.71 C ATOM 533 O TYR A 34 1.303 12.910 13.654 1.00 7.80 O ATOM 534 CB TYR A 34 1.944 12.005 16.218 1.00 8.67 C ATOM 535 CG TYR A 34 2.167 11.193 17.471 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.141 10.382 17.977 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.389 11.277 18.143 1.00 12.44 C ATOM 538 CE1 TYR A 34 1.340 9.660 19.152 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.585 10.556 19.323 1.00 16.38 C ATOM 540 CZ TYR A 34 2.558 9.750 19.826 1.00 16.83 C ATOM 541 OH TYR A 34 2.753 9.037 20.992 1.00 21.14 O ATOM 0 H TYR A 34 4.038 12.137 14.372 1.00 7.35 H new ATOM 0 HA TYR A 34 1.961 10.126 15.166 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.584 12.887 16.228 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.914 12.359 16.183 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.197 10.317 17.456 1.00 13.61 H new ATOM 0 HD2 TYR A 34 4.181 11.898 17.751 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.552 9.032 19.540 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.528 10.621 19.846 1.00 16.38 H new ATOM 0 HH TYR A 34 3.655 9.210 21.334 1.00 21.14 H new ATOM 551 N VAL A 35 0.928 10.860 12.982 1.00 9.44 N ATOM 552 CA VAL A 35 0.143 11.353 11.820 1.00 10.66 C ATOM 553 C VAL A 35 -1.342 11.359 12.175 1.00 10.57 C ATOM 554 O VAL A 35 -1.945 10.324 12.378 1.00 8.31 O ATOM 555 CB VAL A 35 0.379 10.445 10.612 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.430 10.965 9.422 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.869 10.452 10.259 1.00 9.86 C ATOM 0 H VAL A 35 1.010 9.846 13.057 1.00 9.44 H new ATOM 0 HA VAL A 35 0.462 12.366 11.573 1.00 10.66 H new ATOM 0 HB VAL A 35 0.065 9.428 10.849 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.264 10.320 8.559 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.490 10.966 9.675 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.113 11.980 9.182 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.042 9.806 9.398 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.181 11.468 10.019 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.446 10.087 11.109 1.00 9.86 H new ATOM 567 N ASP A 36 -1.941 12.518 12.253 1.00 8.58 N ATOM 568 CA ASP A 36 -3.379 12.581 12.585 1.00 11.48 C ATOM 569 C ASP A 36 -4.163 11.868 11.487 1.00 12.38 C ATOM 570 O ASP A 36 -5.225 11.326 11.715 1.00 11.89 O ATOM 571 CB ASP A 36 -3.823 14.043 12.673 1.00 16.17 C ATOM 572 CG ASP A 36 -5.057 14.150 13.571 1.00 17.97 C ATOM 573 OD1 ASP A 36 -6.075 13.581 13.214 1.00 15.67 O ATOM 574 OD2 ASP A 36 -4.962 14.798 14.600 1.00 25.89 O ATOM 0 H ASP A 36 -1.489 13.420 12.100 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.563 12.099 13.545 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.015 14.656 13.073 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.050 14.425 11.678 1.00 16.17 H new ATOM 579 N LEU A 37 -3.638 11.862 10.293 1.00 13.17 N ATOM 580 CA LEU A 37 -4.340 11.185 9.170 1.00 18.47 C ATOM 581 C LEU A 37 -5.814 11.580 9.180 1.00 21.14 C ATOM 582 O LEU A 37 -6.664 10.862 8.691 1.00 24.24 O ATOM 583 CB LEU A 37 -4.218 9.670 9.330 1.00 15.81 C ATOM 584 CG LEU A 37 -4.844 8.986 8.117 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.792 8.120 7.422 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.011 8.109 8.575 1.00 20.01 C ATOM 0 H LEU A 37 -2.750 12.299 10.047 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.888 11.487 8.225 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.170 9.385 9.423 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.718 9.347 10.243 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.209 9.740 7.420 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.238 7.631 6.556 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.961 8.747 7.097 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.426 7.364 8.117 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.460 7.620 7.710 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.647 7.354 9.271 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.759 8.728 9.070 1.00 20.01 H new ATOM 598 N GLY A 38 -6.124 12.719 9.730 1.00 20.70 N ATOM 599 CA GLY A 38 -7.540 13.167 9.768 1.00 23.91 C ATOM 600 C GLY A 38 -8.310 12.368 10.827 1.00 26.50 C ATOM 601 O GLY A 38 -9.524 12.372 10.858 1.00 31.02 O ATOM 0 H GLY A 38 -5.455 13.360 10.156 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.588 14.232 9.997 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.001 13.030 8.790 1.00 23.91 H new ATOM 605 N ASN A 39 -7.613 11.673 11.690 1.00 27.64 N ATOM 606 CA ASN A 39 -8.305 10.868 12.735 1.00 30.27 C ATOM 607 C ASN A 39 -8.611 11.738 13.957 1.00 26.79 C ATOM 608 O ASN A 39 -8.926 11.243 15.022 1.00 26.87 O ATOM 609 CB ASN A 39 -7.412 9.695 13.153 1.00 35.62 C ATOM 610 CG ASN A 39 -7.025 8.877 11.918 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.811 8.727 11.004 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.836 8.338 11.854 1.00 39.63 N ATOM 0 H ASN A 39 -6.594 11.630 11.714 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.242 10.489 12.327 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.516 10.066 13.651 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.936 9.063 13.870 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.567 7.791 11.036 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.177 8.465 12.622 1.00 39.63 H new ATOM 619 N GLU A 40 -8.529 13.027 13.809 1.00 25.15 N ATOM 620 CA GLU A 40 -8.824 13.941 14.956 1.00 23.81 C ATOM 621 C GLU A 40 -7.855 13.673 16.115 1.00 21.12 C ATOM 622 O GLU A 40 -8.038 14.161 17.213 1.00 19.86 O ATOM 623 CB GLU A 40 -10.260 13.710 15.430 1.00 27.22 C ATOM 624 CG GLU A 40 -11.231 14.030 14.292 1.00 34.87 C ATOM 625 CD GLU A 40 -12.468 13.137 14.409 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.399 12.002 13.965 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.462 13.602 14.941 1.00 39.54 O ATOM 0 H GLU A 40 -8.269 13.495 12.941 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.703 14.973 14.627 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.387 12.676 15.750 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.475 14.340 16.293 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -11.522 15.080 14.333 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.745 13.871 13.330 1.00 34.87 H new ATOM 634 N HIS A 41 -6.825 12.913 15.876 1.00 4.46 N ATOM 635 CA HIS A 41 -5.832 12.614 16.952 1.00 3.99 C ATOM 636 C HIS A 41 -4.548 12.127 16.288 1.00 3.03 C ATOM 637 O HIS A 41 -4.595 11.585 15.204 1.00 2.21 O ATOM 638 CB HIS A 41 -6.377 11.518 17.873 1.00 4.26 C ATOM 639 CG HIS A 41 -7.674 11.969 18.486 1.00 3.84 C ATOM 640 ND1 HIS A 41 -8.884 11.861 17.820 1.00 4.15 N ATOM 641 CD2 HIS A 41 -7.965 12.533 19.703 1.00 4.83 C ATOM 642 CE1 HIS A 41 -9.839 12.349 18.632 1.00 5.54 C ATOM 643 NE2 HIS A 41 -9.333 12.772 19.794 1.00 6.37 N ATOM 0 H HIS A 41 -6.624 12.481 14.974 1.00 4.46 H new ATOM 0 HA HIS A 41 -5.641 13.508 17.545 1.00 3.99 H new ATOM 0 HB2 HIS A 41 -6.531 10.598 17.308 1.00 4.26 H new ATOM 0 HB3 HIS A 41 -5.652 11.294 18.656 1.00 4.26 H new ATOM 0 HD1 HIS A 41 -9.025 11.481 16.884 1.00 4.15 H new ATOM 0 HD2 HIS A 41 -7.242 12.757 20.473 1.00 4.83 H new ATOM 0 HE1 HIS A 41 -10.887 12.393 18.376 1.00 5.54 H new ATOM 651 N PRO A 42 -3.435 12.334 16.941 1.00 15.11 N ATOM 652 CA PRO A 42 -2.130 11.926 16.400 1.00 16.08 C ATOM 653 C PRO A 42 -1.948 10.418 16.532 1.00 17.92 C ATOM 654 O PRO A 42 -2.249 9.832 17.553 1.00 17.13 O ATOM 655 CB PRO A 42 -1.125 12.662 17.280 1.00 16.41 C ATOM 656 CG PRO A 42 -1.853 12.973 18.600 1.00 13.79 C ATOM 657 CD PRO A 42 -3.363 12.976 18.272 1.00 16.28 C ATOM 0 HA PRO A 42 -2.018 12.161 15.342 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.242 12.049 17.458 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.785 13.579 16.798 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.621 12.224 19.358 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.540 13.938 18.999 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.935 12.421 19.016 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.766 13.989 18.250 1.00 16.28 H new ATOM 665 N VAL A 43 -1.449 9.789 15.513 1.00 16.29 N ATOM 666 CA VAL A 43 -1.238 8.322 15.585 1.00 14.28 C ATOM 667 C VAL A 43 0.258 8.037 15.614 1.00 9.00 C ATOM 668 O VAL A 43 0.982 8.364 14.696 1.00 7.99 O ATOM 669 CB VAL A 43 -1.868 7.652 14.368 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.293 8.174 14.177 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.036 7.971 13.123 1.00 20.57 C ATOM 0 H VAL A 43 -1.178 10.226 14.632 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.704 7.927 16.488 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.895 6.573 14.521 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.742 7.695 13.307 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.886 7.947 15.063 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.268 9.253 14.024 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.485 7.493 12.253 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.009 9.050 12.970 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.021 7.598 13.258 1.00 20.57 H new ATOM 681 N LEU A 44 0.730 7.438 16.668 1.00 10.19 N ATOM 682 CA LEU A 44 2.180 7.148 16.760 1.00 11.55 C ATOM 683 C LEU A 44 2.550 6.002 15.823 1.00 10.61 C ATOM 684 O LEU A 44 2.293 4.846 16.098 1.00 13.49 O ATOM 685 CB LEU A 44 2.542 6.774 18.190 1.00 10.60 C ATOM 686 CG LEU A 44 4.024 6.423 18.251 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.844 7.593 17.701 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.424 6.155 19.704 1.00 20.21 C ATOM 0 H LEU A 44 0.173 7.138 17.468 1.00 10.19 H new ATOM 0 HA LEU A 44 2.735 8.039 16.467 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.323 7.603 18.863 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.941 5.928 18.522 1.00 10.60 H new ATOM 0 HG LEU A 44 4.215 5.532 17.653 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.905 7.345 17.743 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.557 7.784 16.667 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.655 8.483 18.301 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.484 5.904 19.749 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.236 7.046 20.303 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.837 5.324 20.096 1.00 20.21 H new ATOM 700 N VAL A 45 3.168 6.320 14.726 1.00 10.81 N ATOM 701 CA VAL A 45 3.585 5.272 13.762 1.00 9.29 C ATOM 702 C VAL A 45 5.094 5.138 13.819 1.00 9.95 C ATOM 703 O VAL A 45 5.756 5.791 14.602 1.00 9.36 O ATOM 704 CB VAL A 45 3.180 5.678 12.351 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.664 5.862 12.282 1.00 7.95 C ATOM 706 CG2 VAL A 45 3.874 6.994 11.983 1.00 10.20 C ATOM 0 H VAL A 45 3.405 7.274 14.453 1.00 10.81 H new ATOM 0 HA VAL A 45 3.106 4.327 14.017 1.00 9.29 H new ATOM 0 HB VAL A 45 3.479 4.899 11.650 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.378 6.152 11.271 1.00 7.95 H new ATOM 0 HG12 VAL A 45 1.172 4.925 12.543 1.00 7.95 H new ATOM 0 HG13 VAL A 45 1.360 6.640 12.983 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.586 7.287 10.973 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.575 7.772 12.686 1.00 10.20 H new ATOM 0 HG23 VAL A 45 4.955 6.860 12.028 1.00 10.20 H new ATOM 716 N LYS A 46 5.650 4.303 13.000 1.00 10.76 N ATOM 717 CA LYS A 46 7.122 4.144 13.026 1.00 12.81 C ATOM 718 C LYS A 46 7.743 4.753 11.767 1.00 13.35 C ATOM 719 O LYS A 46 7.111 4.862 10.735 1.00 12.90 O ATOM 720 CB LYS A 46 7.482 2.661 13.117 1.00 17.04 C ATOM 721 CG LYS A 46 8.494 2.453 14.246 1.00 26.60 C ATOM 722 CD LYS A 46 7.794 1.817 15.449 1.00 33.77 C ATOM 723 CE LYS A 46 8.439 0.464 15.756 1.00 34.48 C ATOM 724 NZ LYS A 46 7.876 -0.079 17.024 1.00 36.74 N ATOM 0 H LYS A 46 5.155 3.727 12.319 1.00 10.76 H new ATOM 0 HA LYS A 46 7.516 4.664 13.899 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.586 2.069 13.303 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.900 2.318 12.171 1.00 17.04 H new ATOM 0 HG2 LYS A 46 9.308 1.813 13.906 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.937 3.407 14.532 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.869 2.473 16.316 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.732 1.687 15.239 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.256 -0.232 14.937 1.00 34.48 H new ATOM 0 HE3 LYS A 46 9.520 0.576 15.844 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.314 -0.999 17.233 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 8.072 0.583 17.802 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.848 -0.200 16.923 1.00 36.74 H new ATOM 738 N ILE A 47 8.983 5.153 11.855 1.00 13.96 N ATOM 739 CA ILE A 47 9.665 5.760 10.683 1.00 16.93 C ATOM 740 C ILE A 47 10.984 5.019 10.433 1.00 16.52 C ATOM 741 O ILE A 47 11.425 4.223 11.238 1.00 17.67 O ATOM 742 CB ILE A 47 9.915 7.258 10.972 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.949 8.095 10.136 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.354 7.667 10.623 1.00 18.08 C ATOM 745 CD1 ILE A 47 9.382 8.056 8.668 1.00 18.26 C ATOM 0 H ILE A 47 9.555 5.083 12.697 1.00 13.96 H new ATOM 0 HA ILE A 47 9.046 5.675 9.790 1.00 16.93 H new ATOM 0 HB ILE A 47 9.757 7.429 12.037 1.00 19.74 H new ATOM 0 HG12 ILE A 47 7.935 7.710 10.238 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.937 9.124 10.496 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.494 8.726 10.839 1.00 18.08 H new ATOM 0 HG22 ILE A 47 12.054 7.080 11.218 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.537 7.485 9.564 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.694 8.653 8.070 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.389 8.462 8.575 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.372 7.026 8.313 1.00 18.26 H new ATOM 757 N THR A 48 11.619 5.287 9.326 1.00 16.86 N ATOM 758 CA THR A 48 12.911 4.615 9.024 1.00 16.59 C ATOM 759 C THR A 48 13.983 5.684 8.802 1.00 19.04 C ATOM 760 O THR A 48 13.839 6.560 7.972 1.00 22.56 O ATOM 761 CB THR A 48 12.758 3.758 7.766 1.00 16.30 C ATOM 762 OG1 THR A 48 12.053 2.568 8.091 1.00 17.90 O ATOM 763 CG2 THR A 48 14.137 3.398 7.209 1.00 16.02 C ATOM 0 H THR A 48 11.297 5.945 8.616 1.00 16.86 H new ATOM 0 HA THR A 48 13.203 3.973 9.855 1.00 16.59 H new ATOM 0 HB THR A 48 12.205 4.320 7.013 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.952 2.018 7.286 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.020 2.788 6.313 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.678 4.311 6.958 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.697 2.839 7.958 1.00 16.02 H new ATOM 771 N LEU A 49 15.052 5.623 9.544 1.00 18.35 N ATOM 772 CA LEU A 49 16.130 6.635 9.389 1.00 18.82 C ATOM 773 C LEU A 49 17.287 6.025 8.595 1.00 20.06 C ATOM 774 O LEU A 49 17.382 4.823 8.442 1.00 18.35 O ATOM 775 CB LEU A 49 16.620 7.052 10.782 1.00 18.79 C ATOM 776 CG LEU A 49 16.359 8.539 11.028 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.446 9.369 10.338 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.984 8.936 10.476 1.00 14.50 C ATOM 0 H LEU A 49 15.225 4.912 10.254 1.00 18.35 H new ATOM 0 HA LEU A 49 15.751 7.507 8.856 1.00 18.82 H new ATOM 0 HB2 LEU A 49 16.113 6.459 11.543 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.686 6.845 10.874 1.00 18.79 H new ATOM 0 HG LEU A 49 16.377 8.729 12.101 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.261 10.429 10.513 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.421 9.100 10.743 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.430 9.170 9.266 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.811 9.997 10.658 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.952 8.742 9.404 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.210 8.352 10.973 1.00 14.50 H new ATOM 790 N ASP A 50 18.166 6.843 8.088 1.00 22.62 N ATOM 791 CA ASP A 50 19.316 6.311 7.304 1.00 27.04 C ATOM 792 C ASP A 50 20.592 6.398 8.144 1.00 27.73 C ATOM 793 O ASP A 50 20.626 7.040 9.175 1.00 26.65 O ATOM 794 CB ASP A 50 19.488 7.136 6.028 1.00 29.11 C ATOM 795 CG ASP A 50 19.718 6.199 4.841 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.742 5.699 4.308 1.00 30.76 O ATOM 797 OD2 ASP A 50 20.868 5.996 4.487 1.00 33.99 O ATOM 0 H ASP A 50 18.138 7.858 8.182 1.00 22.62 H new ATOM 0 HA ASP A 50 19.125 5.270 7.041 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.602 7.748 5.856 1.00 29.11 H new ATOM 0 HB3 ASP A 50 20.331 7.819 6.135 1.00 29.11 H new ATOM 802 N GLU A 51 21.643 5.755 7.713 1.00 31.16 N ATOM 803 CA GLU A 51 22.915 5.800 8.487 1.00 34.22 C ATOM 804 C GLU A 51 23.558 7.180 8.334 1.00 34.98 C ATOM 805 O GLU A 51 24.375 7.401 7.462 1.00 34.19 O ATOM 806 CB GLU A 51 23.873 4.731 7.958 1.00 38.24 C ATOM 807 CG GLU A 51 24.778 4.247 9.092 1.00 46.84 C ATOM 808 CD GLU A 51 25.825 3.281 8.534 1.00 51.38 C ATOM 809 OE1 GLU A 51 26.517 3.662 7.604 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.917 2.178 9.045 1.00 53.83 O ATOM 0 H GLU A 51 21.675 5.200 6.858 1.00 31.16 H new ATOM 0 HA GLU A 51 22.705 5.611 9.540 1.00 34.22 H new ATOM 0 HB2 GLU A 51 23.309 3.894 7.547 1.00 38.24 H new ATOM 0 HB3 GLU A 51 24.476 5.138 7.146 1.00 38.24 H new ATOM 0 HG2 GLU A 51 25.269 5.096 9.567 1.00 46.84 H new ATOM 0 HG3 GLU A 51 24.183 3.752 9.860 1.00 46.84 H new ATOM 817 N GLY A 52 23.197 8.111 9.174 1.00 34.53 N ATOM 818 CA GLY A 52 23.788 9.475 9.075 1.00 34.93 C ATOM 819 C GLY A 52 22.669 10.517 9.065 1.00 36.10 C ATOM 820 O GLY A 52 22.863 11.654 9.449 1.00 35.97 O ATOM 0 H GLY A 52 22.518 7.986 9.925 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.458 9.654 9.916 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.385 9.559 8.167 1.00 34.93 H new ATOM 824 N GLN A 53 21.499 10.140 8.629 1.00 36.52 N ATOM 825 CA GLN A 53 20.369 11.111 8.594 1.00 35.40 C ATOM 826 C GLN A 53 19.865 11.359 10.021 1.00 31.02 C ATOM 827 O GLN A 53 19.793 10.443 10.816 1.00 29.05 O ATOM 828 CB GLN A 53 19.230 10.535 7.750 1.00 41.20 C ATOM 829 CG GLN A 53 19.207 11.219 6.382 1.00 47.61 C ATOM 830 CD GLN A 53 17.777 11.225 5.839 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.834 11.031 6.579 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.575 11.440 4.568 1.00 54.76 N ATOM 0 H GLN A 53 21.276 9.202 8.296 1.00 36.52 H new ATOM 0 HA GLN A 53 20.710 12.050 8.158 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.362 9.460 7.628 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.277 10.683 8.258 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.579 12.240 6.468 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.868 10.696 5.691 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.367 11.603 3.946 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.625 11.445 4.196 1.00 54.76 H new ATOM 841 N PRO A 54 19.527 12.594 10.302 1.00 27.43 N ATOM 842 CA PRO A 54 19.021 12.996 11.625 1.00 23.44 C ATOM 843 C PRO A 54 17.540 12.629 11.761 1.00 20.14 C ATOM 844 O PRO A 54 16.706 13.097 11.012 1.00 21.64 O ATOM 845 CB PRO A 54 19.207 14.512 11.637 1.00 24.39 C ATOM 846 CG PRO A 54 19.267 14.953 10.160 1.00 27.18 C ATOM 847 CD PRO A 54 19.620 13.703 9.333 1.00 28.37 C ATOM 0 HA PRO A 54 19.536 12.503 12.449 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.382 15.001 12.155 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.121 14.787 12.162 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.311 15.369 9.842 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.016 15.733 10.020 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.928 13.566 8.502 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.620 13.777 8.906 1.00 28.37 H new ATOM 855 N ALA A 55 17.208 11.792 12.705 1.00 17.21 N ATOM 856 CA ALA A 55 15.785 11.394 12.882 1.00 15.58 C ATOM 857 C ALA A 55 14.872 12.613 12.745 1.00 16.41 C ATOM 858 O ALA A 55 15.276 13.736 12.972 1.00 13.65 O ATOM 859 CB ALA A 55 15.606 10.786 14.269 1.00 13.98 C ATOM 0 H ALA A 55 17.862 11.367 13.362 1.00 17.21 H new ATOM 0 HA ALA A 55 15.521 10.666 12.115 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.565 10.492 14.406 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.247 9.910 14.368 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.878 11.521 15.026 1.00 13.98 H new ATOM 865 N TYR A 56 13.638 12.392 12.381 1.00 15.93 N ATOM 866 CA TYR A 56 12.683 13.525 12.235 1.00 14.61 C ATOM 867 C TYR A 56 12.735 14.398 13.491 1.00 15.51 C ATOM 868 O TYR A 56 12.333 13.985 14.560 1.00 17.19 O ATOM 869 CB TYR A 56 11.269 12.969 12.058 1.00 12.92 C ATOM 870 CG TYR A 56 11.159 12.223 10.739 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.216 12.249 9.817 1.00 12.42 C ATOM 872 CD2 TYR A 56 9.996 11.509 10.446 1.00 7.14 C ATOM 873 CE1 TYR A 56 12.103 11.559 8.605 1.00 11.47 C ATOM 874 CE2 TYR A 56 9.883 10.821 9.237 1.00 7.90 C ATOM 875 CZ TYR A 56 10.935 10.844 8.315 1.00 10.29 C ATOM 876 OH TYR A 56 10.821 10.163 7.120 1.00 12.03 O ATOM 0 H TYR A 56 13.250 11.471 12.178 1.00 15.93 H new ATOM 0 HA TYR A 56 12.953 14.125 11.366 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.028 12.300 12.884 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.544 13.783 12.085 1.00 12.92 H new ATOM 0 HD1 TYR A 56 13.116 12.801 10.043 1.00 12.42 H new ATOM 0 HD2 TYR A 56 9.182 11.489 11.156 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.916 11.578 7.894 1.00 11.47 H new ATOM 0 HE2 TYR A 56 8.982 10.270 9.013 1.00 7.90 H new ATOM 0 HH TYR A 56 11.532 9.491 7.057 1.00 12.03 H new ATOM 886 N ALA A 57 13.226 15.601 13.374 1.00 13.38 N ATOM 887 CA ALA A 57 13.300 16.493 14.565 1.00 14.95 C ATOM 888 C ALA A 57 11.885 16.752 15.092 1.00 15.46 C ATOM 889 O ALA A 57 10.918 16.307 14.506 1.00 17.82 O ATOM 890 CB ALA A 57 13.950 17.821 14.168 1.00 14.98 C ATOM 0 H ALA A 57 13.579 16.004 12.506 1.00 13.38 H new ATOM 0 HA ALA A 57 13.897 16.017 15.343 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.004 18.474 15.039 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.955 17.635 13.790 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.354 18.300 13.392 1.00 14.98 H new ATOM 896 N PRO A 58 11.807 17.466 16.186 1.00 15.20 N ATOM 897 CA PRO A 58 10.522 17.805 16.821 1.00 16.55 C ATOM 898 C PRO A 58 9.833 18.934 16.051 1.00 16.75 C ATOM 899 O PRO A 58 10.363 20.019 15.914 1.00 17.28 O ATOM 900 CB PRO A 58 10.924 18.260 18.227 1.00 15.65 C ATOM 901 CG PRO A 58 12.407 18.691 18.139 1.00 14.16 C ATOM 902 CD PRO A 58 12.990 18.004 16.889 1.00 13.96 C ATOM 0 HA PRO A 58 9.816 16.975 16.838 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.298 19.088 18.561 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.796 17.452 18.948 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.492 19.775 18.061 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.951 18.393 19.035 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.537 18.711 16.265 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.687 17.211 17.159 1.00 13.96 H new ATOM 910 N GLY A 59 8.657 18.687 15.541 1.00 17.22 N ATOM 911 CA GLY A 59 7.944 19.748 14.777 1.00 15.08 C ATOM 912 C GLY A 59 6.788 19.131 13.987 1.00 14.96 C ATOM 913 O GLY A 59 6.592 17.934 13.995 1.00 13.79 O ATOM 0 H GLY A 59 8.161 17.799 15.620 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.565 20.508 15.460 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.635 20.246 14.098 1.00 15.08 H new ATOM 917 N LEU A 60 6.025 19.940 13.296 1.00 15.83 N ATOM 918 CA LEU A 60 4.893 19.397 12.492 1.00 14.53 C ATOM 919 C LEU A 60 5.467 18.660 11.285 1.00 14.15 C ATOM 920 O LEU A 60 6.598 18.881 10.905 1.00 13.27 O ATOM 921 CB LEU A 60 4.010 20.549 12.008 1.00 15.84 C ATOM 922 CG LEU A 60 2.869 20.769 12.998 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.388 21.538 14.215 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.755 21.573 12.321 1.00 15.01 C ATOM 0 H LEU A 60 6.139 20.953 13.255 1.00 15.83 H new ATOM 0 HA LEU A 60 4.295 18.718 13.100 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.602 21.459 11.912 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.609 20.323 11.020 1.00 15.84 H new ATOM 0 HG LEU A 60 2.477 19.804 13.320 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.573 21.695 14.921 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.180 20.965 14.697 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.781 22.503 13.895 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.940 21.731 13.027 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.147 22.537 11.998 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.384 21.024 11.455 1.00 15.01 H new ATOM 936 N TYR A 61 4.717 17.779 10.679 1.00 11.12 N ATOM 937 CA TYR A 61 5.266 17.046 9.512 1.00 9.57 C ATOM 938 C TYR A 61 4.220 16.839 8.435 1.00 11.76 C ATOM 939 O TYR A 61 3.030 16.976 8.645 1.00 11.26 O ATOM 940 CB TYR A 61 5.801 15.693 9.964 1.00 9.42 C ATOM 941 CG TYR A 61 7.211 15.890 10.442 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.441 16.458 11.696 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.285 15.534 9.619 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.748 16.669 12.134 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.594 15.747 10.055 1.00 13.99 C ATOM 946 CZ TYR A 61 9.823 16.315 11.312 1.00 11.06 C ATOM 947 OH TYR A 61 11.115 16.526 11.752 1.00 14.61 O ATOM 0 H TYR A 61 3.760 17.540 10.940 1.00 11.12 H new ATOM 0 HA TYR A 61 6.070 17.648 9.089 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.181 15.285 10.762 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.773 14.978 9.142 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.608 16.734 12.326 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.102 15.096 8.649 1.00 10.26 H new ATOM 0 HE1 TYR A 61 8.930 17.105 13.105 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.427 15.474 9.424 1.00 13.99 H new ATOM 0 HH TYR A 61 11.122 16.584 12.730 1.00 14.61 H new ATOM 957 N THR A 62 4.688 16.485 7.282 1.00 12.22 N ATOM 958 CA THR A 62 3.800 16.221 6.138 1.00 14.26 C ATOM 959 C THR A 62 4.462 15.132 5.322 1.00 15.40 C ATOM 960 O THR A 62 5.574 15.284 4.855 1.00 16.24 O ATOM 961 CB THR A 62 3.652 17.475 5.291 1.00 15.07 C ATOM 962 OG1 THR A 62 4.919 17.844 4.765 1.00 18.36 O ATOM 963 CG2 THR A 62 3.105 18.604 6.158 1.00 11.61 C ATOM 0 H THR A 62 5.681 16.365 7.082 1.00 12.22 H new ATOM 0 HA THR A 62 2.807 15.922 6.474 1.00 14.26 H new ATOM 0 HB THR A 62 2.964 17.284 4.467 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.823 18.651 4.218 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.997 19.506 5.555 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.133 18.317 6.559 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.794 18.798 6.980 1.00 11.61 H new ATOM 971 N VAL A 63 3.817 14.029 5.161 1.00 14.65 N ATOM 972 CA VAL A 63 4.458 12.941 4.389 1.00 15.17 C ATOM 973 C VAL A 63 4.918 13.504 3.052 1.00 14.24 C ATOM 974 O VAL A 63 4.591 14.616 2.687 1.00 19.13 O ATOM 975 CB VAL A 63 3.489 11.784 4.179 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.257 10.584 3.632 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.848 11.404 5.519 1.00 18.64 C ATOM 0 H VAL A 63 2.885 13.829 5.523 1.00 14.65 H new ATOM 0 HA VAL A 63 5.314 12.555 4.942 1.00 15.17 H new ATOM 0 HB VAL A 63 2.712 12.080 3.475 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.570 9.752 3.479 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.721 10.851 2.682 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.029 10.291 4.343 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.155 10.576 5.369 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.625 11.104 6.222 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.308 12.262 5.920 1.00 18.64 H new ATOM 987 N HIS A 64 5.683 12.755 2.326 1.00 13.31 N ATOM 988 CA HIS A 64 6.178 13.253 1.018 1.00 10.78 C ATOM 989 C HIS A 64 5.937 12.179 -0.045 1.00 14.19 C ATOM 990 O HIS A 64 6.430 11.068 0.058 1.00 11.59 O ATOM 991 CB HIS A 64 7.672 13.563 1.126 1.00 11.86 C ATOM 992 CG HIS A 64 8.055 14.591 0.101 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.416 14.687 -1.124 1.00 17.90 N ATOM 994 CD2 HIS A 64 9.031 15.556 0.093 1.00 17.63 C ATOM 995 CE1 HIS A 64 8.016 15.669 -1.819 1.00 19.32 C ATOM 996 NE2 HIS A 64 9.007 16.235 -1.122 1.00 20.65 N ATOM 0 H HIS A 64 5.990 11.816 2.579 1.00 13.31 H new ATOM 0 HA HIS A 64 5.648 14.163 0.738 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.905 13.929 2.126 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.253 12.653 0.976 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.713 15.758 0.905 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.732 15.965 -2.818 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.614 16.999 -1.417 1.00 20.65 H new ATOM 1004 N LEU A 65 5.167 12.498 -1.052 1.00 12.93 N ATOM 1005 CA LEU A 65 4.865 11.506 -2.120 1.00 14.44 C ATOM 1006 C LEU A 65 6.159 11.105 -2.830 1.00 12.66 C ATOM 1007 O LEU A 65 6.198 10.138 -3.566 1.00 10.20 O ATOM 1008 CB LEU A 65 3.831 12.132 -3.083 1.00 14.94 C ATOM 1009 CG LEU A 65 4.306 12.167 -4.547 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.171 11.695 -5.449 1.00 15.75 C ATOM 1011 CD2 LEU A 65 4.695 13.601 -4.917 1.00 19.03 C ATOM 0 H LEU A 65 4.732 13.412 -1.179 1.00 12.93 H new ATOM 0 HA LEU A 65 4.437 10.594 -1.703 1.00 14.44 H new ATOM 0 HB2 LEU A 65 2.901 11.567 -3.023 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.609 13.148 -2.756 1.00 14.94 H new ATOM 0 HG LEU A 65 5.169 11.514 -4.674 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.499 11.717 -6.488 1.00 15.75 H new ATOM 0 HD12 LEU A 65 2.890 10.677 -5.178 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.311 12.353 -5.326 1.00 15.75 H new ATOM 0 HD21 LEU A 65 5.032 13.631 -5.953 1.00 19.03 H new ATOM 0 HD22 LEU A 65 3.831 14.255 -4.798 1.00 19.03 H new ATOM 0 HD23 LEU A 65 5.499 13.940 -4.264 1.00 19.03 H new ATOM 1023 N SER A 66 7.224 11.819 -2.606 1.00 13.51 N ATOM 1024 CA SER A 66 8.504 11.452 -3.263 1.00 10.39 C ATOM 1025 C SER A 66 8.722 9.945 -3.100 1.00 8.56 C ATOM 1026 O SER A 66 9.476 9.332 -3.829 1.00 11.70 O ATOM 1027 CB SER A 66 9.656 12.210 -2.602 1.00 12.88 C ATOM 1028 OG SER A 66 10.885 11.797 -3.184 1.00 14.72 O ATOM 0 H SER A 66 7.263 12.638 -1.999 1.00 13.51 H new ATOM 0 HA SER A 66 8.468 11.712 -4.321 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.522 13.284 -2.732 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.665 12.017 -1.529 1.00 12.88 H new ATOM 0 HG SER A 66 11.625 12.282 -2.764 1.00 14.72 H new ATOM 1034 N SER A 67 8.072 9.350 -2.133 1.00 7.98 N ATOM 1035 CA SER A 67 8.242 7.888 -1.901 1.00 8.20 C ATOM 1036 C SER A 67 7.118 7.088 -2.577 1.00 11.02 C ATOM 1037 O SER A 67 7.156 5.874 -2.612 1.00 11.45 O ATOM 1038 CB SER A 67 8.218 7.611 -0.399 1.00 8.01 C ATOM 1039 OG SER A 67 9.223 8.388 0.238 1.00 11.22 O ATOM 0 H SER A 67 7.429 9.817 -1.493 1.00 7.98 H new ATOM 0 HA SER A 67 9.195 7.579 -2.330 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.238 7.855 0.012 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.388 6.551 -0.210 1.00 8.01 H new ATOM 0 HG SER A 67 9.596 7.886 0.992 1.00 11.22 H new ATOM 1045 N PHE A 68 6.112 7.739 -3.104 1.00 10.09 N ATOM 1046 CA PHE A 68 5.003 6.975 -3.754 1.00 11.79 C ATOM 1047 C PHE A 68 5.410 6.577 -5.173 1.00 12.69 C ATOM 1048 O PHE A 68 6.324 7.133 -5.748 1.00 14.25 O ATOM 1049 CB PHE A 68 3.735 7.834 -3.815 1.00 10.08 C ATOM 1050 CG PHE A 68 3.433 8.420 -2.454 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.137 7.989 -1.319 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.457 9.414 -2.333 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.862 8.554 -0.070 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.185 9.980 -1.084 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.887 9.550 0.046 1.00 11.87 C ATOM 0 H PHE A 68 6.010 8.754 -3.113 1.00 10.09 H new ATOM 0 HA PHE A 68 4.804 6.080 -3.165 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.865 8.635 -4.543 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.894 7.229 -4.153 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.891 7.221 -1.410 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.913 9.745 -3.205 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.402 8.222 0.804 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.433 10.749 -0.992 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.676 9.988 1.010 1.00 11.87 H new ATOM 1065 N LYS A 69 4.733 5.616 -5.740 1.00 12.51 N ATOM 1066 CA LYS A 69 5.075 5.179 -7.122 1.00 15.38 C ATOM 1067 C LYS A 69 3.803 4.762 -7.859 1.00 15.02 C ATOM 1068 O LYS A 69 2.728 4.719 -7.294 1.00 15.36 O ATOM 1069 CB LYS A 69 6.037 3.990 -7.065 1.00 16.04 C ATOM 1070 CG LYS A 69 5.448 2.893 -6.174 1.00 20.35 C ATOM 1071 CD LYS A 69 6.203 1.583 -6.411 1.00 21.35 C ATOM 1072 CE LYS A 69 5.228 0.406 -6.328 1.00 30.24 C ATOM 1073 NZ LYS A 69 4.288 0.616 -5.191 1.00 32.70 N ATOM 0 H LYS A 69 3.958 5.115 -5.305 1.00 12.51 H new ATOM 0 HA LYS A 69 5.549 6.006 -7.650 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.211 3.602 -8.069 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.003 4.310 -6.674 1.00 16.04 H new ATOM 0 HG2 LYS A 69 5.521 3.183 -5.126 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.389 2.760 -6.395 1.00 20.35 H new ATOM 0 HD2 LYS A 69 6.685 1.601 -7.389 1.00 21.35 H new ATOM 0 HD3 LYS A 69 6.993 1.467 -5.669 1.00 21.35 H new ATOM 0 HE2 LYS A 69 4.672 0.315 -7.261 1.00 30.24 H new ATOM 0 HE3 LYS A 69 5.777 -0.526 -6.192 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 3.955 -0.305 -4.841 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 4.777 1.121 -4.425 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 3.475 1.179 -5.512 1.00 32.70 H new ATOM 1087 N VAL A 70 3.921 4.452 -9.120 1.00 13.65 N ATOM 1088 CA VAL A 70 2.726 4.032 -9.904 1.00 13.49 C ATOM 1089 C VAL A 70 2.917 2.592 -10.385 1.00 11.85 C ATOM 1090 O VAL A 70 3.931 2.249 -10.961 1.00 12.13 O ATOM 1091 CB VAL A 70 2.552 4.952 -11.111 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.110 4.870 -11.613 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.876 6.393 -10.711 1.00 15.63 C ATOM 0 H VAL A 70 4.796 4.472 -9.643 1.00 13.65 H new ATOM 0 HA VAL A 70 1.839 4.094 -9.273 1.00 13.49 H new ATOM 0 HB VAL A 70 3.230 4.638 -11.905 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.987 5.527 -12.474 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.884 3.844 -11.904 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.430 5.181 -10.820 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.751 7.047 -11.574 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.202 6.710 -9.915 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.906 6.450 -10.359 1.00 15.63 H new ATOM 1103 N GLY A 71 1.952 1.745 -10.151 1.00 11.15 N ATOM 1104 CA GLY A 71 2.082 0.328 -10.594 1.00 11.07 C ATOM 1105 C GLY A 71 1.541 0.187 -12.019 1.00 12.15 C ATOM 1106 O GLY A 71 0.903 1.080 -12.540 1.00 12.70 O ATOM 0 H GLY A 71 1.080 1.973 -9.673 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.127 0.019 -10.558 1.00 11.07 H new ATOM 0 HA3 GLY A 71 1.532 -0.327 -9.918 1.00 11.07 H new ATOM 1110 N GLN A 72 1.790 -0.927 -12.654 1.00 15.78 N ATOM 1111 CA GLN A 72 1.288 -1.118 -14.042 1.00 19.42 C ATOM 1112 C GLN A 72 -0.207 -1.436 -14.011 1.00 16.97 C ATOM 1113 O GLN A 72 -0.838 -1.629 -15.031 1.00 20.46 O ATOM 1114 CB GLN A 72 2.057 -2.264 -14.708 1.00 22.64 C ATOM 1115 CG GLN A 72 1.322 -2.724 -15.970 1.00 25.29 C ATOM 1116 CD GLN A 72 0.327 -3.831 -15.612 1.00 26.29 C ATOM 1117 OE1 GLN A 72 -0.801 -3.817 -16.063 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.698 -4.797 -14.816 1.00 25.15 N ATOM 0 H GLN A 72 2.319 -1.711 -12.271 1.00 15.78 H new ATOM 0 HA GLN A 72 1.441 -0.203 -14.615 1.00 19.42 H new ATOM 0 HB2 GLN A 72 3.065 -1.937 -14.963 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.159 -3.097 -14.013 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.798 -1.883 -16.424 1.00 25.29 H new ATOM 0 HG3 GLN A 72 2.038 -3.089 -16.707 1.00 25.29 H new ATOM 0 HE21 GLN A 72 1.645 -4.810 -14.437 1.00 25.15 H new ATOM 0 HE22 GLN A 72 0.041 -5.539 -14.574 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.775 -1.476 -12.846 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.231 -1.769 -12.726 1.00 14.60 C ATOM 1129 C PHE A 73 -3.019 -0.463 -12.847 1.00 15.63 C ATOM 1130 O PHE A 73 -4.162 -0.451 -13.259 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.510 -2.407 -11.363 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.274 -3.696 -11.553 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.669 -3.673 -11.661 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -2.587 -4.914 -11.619 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -5.378 -4.867 -11.836 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -3.295 -6.109 -11.794 1.00 18.68 C ATOM 1137 CZ PHE A 73 -4.691 -6.085 -11.903 1.00 17.88 C ATOM 0 H PHE A 73 -0.293 -1.318 -11.961 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.534 -2.455 -13.517 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.572 -2.602 -10.843 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.084 -1.721 -10.740 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -5.199 -2.733 -11.609 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -1.510 -4.932 -11.535 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -6.455 -4.849 -11.919 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -2.765 -7.049 -11.845 1.00 18.68 H new ATOM 0 HZ PHE A 73 -5.238 -7.006 -12.039 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.415 0.638 -12.490 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.125 1.942 -12.583 1.00 13.44 C ATOM 1149 C GLY A 74 -3.607 2.361 -11.193 1.00 10.42 C ATOM 1150 O GLY A 74 -4.791 2.439 -10.934 1.00 13.62 O ATOM 0 H GLY A 74 -1.459 0.689 -12.138 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.460 2.702 -12.993 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.972 1.859 -13.264 1.00 13.44 H new ATOM 1154 N SER A 75 -2.697 2.629 -10.296 1.00 12.64 N ATOM 1155 CA SER A 75 -3.104 3.041 -8.923 1.00 12.47 C ATOM 1156 C SER A 75 -1.872 3.506 -8.142 1.00 12.47 C ATOM 1157 O SER A 75 -0.843 2.860 -8.145 1.00 11.32 O ATOM 1158 CB SER A 75 -3.743 1.853 -8.204 1.00 11.21 C ATOM 1159 OG SER A 75 -3.652 0.700 -9.030 1.00 18.27 O ATOM 0 H SER A 75 -1.691 2.580 -10.455 1.00 12.64 H new ATOM 0 HA SER A 75 -3.823 3.858 -8.987 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.239 1.675 -7.254 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.787 2.070 -7.976 1.00 11.21 H new ATOM 0 HG SER A 75 -4.060 -0.064 -8.571 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.968 4.622 -7.473 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.804 5.127 -6.691 1.00 12.18 C ATOM 1167 C LEU A 76 -0.625 4.275 -5.433 1.00 12.07 C ATOM 1168 O LEU A 76 -1.577 3.763 -4.878 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.052 6.582 -6.290 1.00 11.99 C ATOM 1170 CG LEU A 76 0.259 7.214 -5.821 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.423 8.592 -6.466 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.235 7.363 -4.297 1.00 7.80 C ATOM 0 H LEU A 76 -2.803 5.207 -7.434 1.00 12.43 H new ATOM 0 HA LEU A 76 0.097 5.066 -7.302 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.454 7.140 -7.136 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.796 6.629 -5.494 1.00 11.99 H new ATOM 0 HG LEU A 76 1.094 6.577 -6.112 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.358 9.042 -6.131 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.439 8.486 -7.551 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.411 9.231 -6.176 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.169 7.813 -3.961 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.600 8.000 -4.007 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.119 6.381 -3.837 1.00 7.80 H new ATOM 1184 N MET A 77 0.588 4.118 -4.977 1.00 14.08 N ATOM 1185 CA MET A 77 0.822 3.299 -3.754 1.00 14.12 C ATOM 1186 C MET A 77 2.132 3.731 -3.091 1.00 11.37 C ATOM 1187 O MET A 77 3.164 3.813 -3.726 1.00 11.44 O ATOM 1188 CB MET A 77 0.908 1.821 -4.139 1.00 16.48 C ATOM 1189 CG MET A 77 -0.413 1.380 -4.772 1.00 24.75 C ATOM 1190 SD MET A 77 -0.340 -0.388 -5.154 1.00 35.11 S ATOM 1191 CE MET A 77 -0.150 -0.224 -6.946 1.00 33.86 C ATOM 0 H MET A 77 1.425 4.521 -5.398 1.00 14.08 H new ATOM 0 HA MET A 77 -0.002 3.446 -3.056 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.729 1.664 -4.839 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.121 1.216 -3.257 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.240 1.582 -4.091 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.602 1.952 -5.681 1.00 24.75 H new ATOM 0 HE1 MET A 77 -0.084 -1.214 -7.397 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.010 0.305 -7.356 1.00 33.86 H new ATOM 0 HE3 MET A 77 0.759 0.336 -7.166 1.00 33.86 H new ATOM 1201 N ILE A 78 2.097 4.009 -1.816 1.00 11.78 N ATOM 1202 CA ILE A 78 3.339 4.438 -1.112 1.00 11.62 C ATOM 1203 C ILE A 78 4.360 3.299 -1.112 1.00 11.45 C ATOM 1204 O ILE A 78 4.026 2.146 -0.923 1.00 12.59 O ATOM 1205 CB ILE A 78 3.022 4.792 0.339 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.133 6.039 0.394 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.329 5.053 1.095 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.837 5.711 1.147 1.00 13.67 C ATOM 0 H ILE A 78 1.262 3.958 -1.232 1.00 11.78 H new ATOM 0 HA ILE A 78 3.744 5.307 -1.631 1.00 11.62 H new ATOM 0 HB ILE A 78 2.491 3.961 0.804 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.660 6.852 0.893 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.903 6.380 -0.616 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.106 5.306 2.131 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.951 4.158 1.066 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.861 5.881 0.626 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.205 6.598 1.186 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.308 4.911 0.629 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.076 5.391 2.161 1.00 13.67 H new ATOM 1220 N ASP A 79 5.606 3.625 -1.290 1.00 10.05 N ATOM 1221 CA ASP A 79 6.674 2.584 -1.265 1.00 14.79 C ATOM 1222 C ASP A 79 7.466 2.765 0.027 1.00 15.20 C ATOM 1223 O ASP A 79 7.873 1.820 0.674 1.00 18.10 O ATOM 1224 CB ASP A 79 7.600 2.762 -2.472 1.00 12.21 C ATOM 1225 CG ASP A 79 8.124 1.396 -2.920 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.432 0.416 -2.700 1.00 21.87 O ATOM 1227 OD2 ASP A 79 9.209 1.355 -3.477 1.00 24.06 O ATOM 0 H ASP A 79 5.937 4.576 -1.453 1.00 10.05 H new ATOM 0 HA ASP A 79 6.238 1.586 -1.310 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.062 3.242 -3.289 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.433 3.415 -2.211 1.00 12.21 H new ATOM 1232 N ARG A 80 7.654 3.993 0.406 1.00 17.08 N ATOM 1233 CA ARG A 80 8.381 4.319 1.659 1.00 17.14 C ATOM 1234 C ARG A 80 8.165 5.802 1.932 1.00 14.98 C ATOM 1235 O ARG A 80 9.064 6.613 1.825 1.00 16.47 O ATOM 1236 CB ARG A 80 9.874 4.016 1.502 1.00 17.78 C ATOM 1237 CG ARG A 80 10.568 4.151 2.859 1.00 22.76 C ATOM 1238 CD ARG A 80 10.737 2.766 3.487 1.00 28.43 C ATOM 1239 NE ARG A 80 9.714 2.578 4.555 1.00 33.10 N ATOM 1240 CZ ARG A 80 9.466 1.385 5.025 1.00 30.84 C ATOM 1241 NH1 ARG A 80 10.108 0.348 4.558 1.00 33.12 N ATOM 1242 NH2 ARG A 80 8.570 1.229 5.961 1.00 35.04 N ATOM 0 H ARG A 80 7.325 4.806 -0.114 1.00 17.08 H new ATOM 0 HA ARG A 80 8.010 3.718 2.489 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.012 3.008 1.110 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.321 4.702 0.783 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.541 4.627 2.736 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.981 4.791 3.517 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.630 1.994 2.725 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.738 2.664 3.905 1.00 28.43 H new ATOM 0 HE ARG A 80 9.206 3.384 4.920 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.806 0.468 3.824 1.00 33.12 H new ATOM 0 HH12 ARG A 80 9.912 -0.582 4.928 1.00 33.12 H new ATOM 0 HH21 ARG A 80 8.065 2.038 6.324 1.00 35.04 H new ATOM 0 HH22 ARG A 80 8.374 0.298 6.330 1.00 35.04 H new ATOM 1256 N LEU A 81 6.950 6.142 2.248 1.00 11.03 N ATOM 1257 CA LEU A 81 6.570 7.557 2.507 1.00 11.27 C ATOM 1258 C LEU A 81 7.739 8.354 3.102 1.00 15.61 C ATOM 1259 O LEU A 81 8.242 8.049 4.164 1.00 18.56 O ATOM 1260 CB LEU A 81 5.353 7.569 3.438 1.00 13.62 C ATOM 1261 CG LEU A 81 5.776 7.775 4.890 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.525 7.942 5.756 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.564 6.548 5.361 1.00 18.72 C ATOM 0 H LEU A 81 6.181 5.478 2.340 1.00 11.03 H new ATOM 0 HA LEU A 81 6.315 8.043 1.565 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.670 8.364 3.139 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.810 6.629 3.344 1.00 13.62 H new ATOM 0 HG LEU A 81 6.400 8.664 4.974 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.819 8.090 6.795 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.958 8.807 5.413 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.906 7.048 5.678 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.870 6.688 6.398 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.936 5.661 5.285 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.448 6.421 4.736 1.00 18.72 H new ATOM 1275 N ARG A 82 8.156 9.391 2.428 1.00 13.37 N ATOM 1276 CA ARG A 82 9.267 10.226 2.956 1.00 12.72 C ATOM 1277 C ARG A 82 8.658 11.336 3.810 1.00 13.33 C ATOM 1278 O ARG A 82 8.104 12.285 3.301 1.00 13.27 O ATOM 1279 CB ARG A 82 10.046 10.841 1.793 1.00 13.85 C ATOM 1280 CG ARG A 82 11.534 10.523 1.948 1.00 16.22 C ATOM 1281 CD ARG A 82 12.317 11.179 0.810 1.00 16.62 C ATOM 1282 NE ARG A 82 13.608 11.708 1.334 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.563 12.045 0.508 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.391 11.918 -0.781 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.691 12.509 0.971 1.00 16.89 N ATOM 0 H ARG A 82 7.773 9.695 1.533 1.00 13.37 H new ATOM 0 HA ARG A 82 9.948 9.619 3.552 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.676 10.448 0.846 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.895 11.920 1.771 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.896 10.887 2.910 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.689 9.444 1.936 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.504 10.454 0.018 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.732 11.987 0.371 1.00 16.62 H new ATOM 0 HE ARG A 82 13.747 11.807 2.340 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.510 11.555 -1.145 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.138 12.182 -1.424 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.827 12.608 1.977 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.437 12.772 0.327 1.00 16.89 H new ATOM 1299 N LEU A 83 8.722 11.214 5.102 1.00 13.53 N ATOM 1300 CA LEU A 83 8.109 12.260 5.969 1.00 13.86 C ATOM 1301 C LEU A 83 8.977 13.514 6.010 1.00 13.02 C ATOM 1302 O LEU A 83 10.189 13.461 5.939 1.00 14.40 O ATOM 1303 CB LEU A 83 7.941 11.733 7.389 1.00 9.93 C ATOM 1304 CG LEU A 83 6.491 11.908 7.841 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.403 11.654 9.347 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.029 13.336 7.538 1.00 10.58 C ATOM 0 H LEU A 83 9.169 10.442 5.596 1.00 13.53 H new ATOM 0 HA LEU A 83 7.136 12.512 5.547 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.219 10.680 7.431 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.609 12.266 8.066 1.00 9.93 H new ATOM 0 HG LEU A 83 5.853 11.202 7.309 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.371 11.777 9.677 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.735 10.639 9.565 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.040 12.365 9.874 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.995 13.460 7.860 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.663 14.044 8.071 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.099 13.522 6.466 1.00 10.58 H new ATOM 1318 N VAL A 84 8.344 14.644 6.130 1.00 11.81 N ATOM 1319 CA VAL A 84 9.069 15.929 6.188 1.00 12.86 C ATOM 1320 C VAL A 84 8.260 16.882 7.077 1.00 14.98 C ATOM 1321 O VAL A 84 7.082 16.674 7.271 1.00 13.59 O ATOM 1322 CB VAL A 84 9.162 16.483 4.766 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.816 15.439 3.859 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.756 16.800 4.246 1.00 17.34 C ATOM 0 H VAL A 84 7.329 14.727 6.191 1.00 11.81 H new ATOM 0 HA VAL A 84 10.073 15.810 6.597 1.00 12.86 H new ATOM 0 HB VAL A 84 9.761 17.394 4.768 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.884 15.830 2.844 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.816 15.212 4.228 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.214 14.530 3.858 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.823 17.195 3.232 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.156 15.890 4.242 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.287 17.541 4.894 1.00 17.34 H new ATOM 1334 N PRO A 85 8.896 17.905 7.577 1.00 18.65 N ATOM 1335 CA PRO A 85 8.225 18.902 8.429 1.00 22.41 C ATOM 1336 C PRO A 85 7.113 19.616 7.644 1.00 25.70 C ATOM 1337 O PRO A 85 7.212 19.808 6.448 1.00 22.08 O ATOM 1338 CB PRO A 85 9.355 19.839 8.858 1.00 21.19 C ATOM 1339 CG PRO A 85 10.487 19.621 7.841 1.00 18.95 C ATOM 1340 CD PRO A 85 10.318 18.178 7.335 1.00 20.63 C ATOM 0 HA PRO A 85 7.721 18.473 9.295 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.024 20.877 8.858 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.689 19.611 9.870 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.419 20.335 7.020 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.463 19.762 8.305 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.572 18.089 6.279 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.960 17.483 7.877 1.00 20.63 H new ATOM 1348 N ALA A 86 6.044 19.988 8.304 1.00 31.74 N ATOM 1349 CA ALA A 86 4.915 20.662 7.592 1.00 39.94 C ATOM 1350 C ALA A 86 5.252 22.138 7.372 1.00 46.96 C ATOM 1351 O ALA A 86 5.411 22.894 8.309 1.00 49.29 O ATOM 1352 CB ALA A 86 3.642 20.547 8.439 1.00 39.70 C ATOM 0 H ALA A 86 5.905 19.854 9.305 1.00 31.74 H new ATOM 0 HA ALA A 86 4.757 20.183 6.626 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.816 21.037 7.923 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.401 19.495 8.592 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.803 21.027 9.404 1.00 39.70 H new ATOM 1358 N LYS A 87 5.362 22.554 6.140 1.00 51.78 N ATOM 1359 CA LYS A 87 5.688 23.982 5.864 1.00 55.12 C ATOM 1360 C LYS A 87 4.622 24.879 6.495 1.00 55.82 C ATOM 1361 O LYS A 87 4.986 25.918 7.022 1.00 58.05 O ATOM 1362 CB LYS A 87 5.722 24.215 4.352 1.00 52.96 C ATOM 1363 CG LYS A 87 4.310 24.073 3.779 1.00 55.49 C ATOM 1364 CD LYS A 87 4.391 23.563 2.339 1.00 56.64 C ATOM 1365 CE LYS A 87 3.805 24.612 1.391 1.00 58.91 C ATOM 1366 NZ LYS A 87 4.765 25.743 1.247 1.00 58.16 N ATOM 1367 OXT LYS A 87 3.460 24.513 6.441 1.00 57.66 O ATOM 0 H LYS A 87 5.241 21.968 5.314 1.00 51.78 H new ATOM 0 HA LYS A 87 6.662 24.221 6.290 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.115 25.208 4.136 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.392 23.497 3.878 1.00 52.96 H new ATOM 0 HG2 LYS A 87 3.727 23.382 4.388 1.00 55.49 H new ATOM 0 HG3 LYS A 87 3.797 25.034 3.807 1.00 55.49 H new ATOM 0 HD2 LYS A 87 5.428 23.356 2.073 1.00 56.64 H new ATOM 0 HD3 LYS A 87 3.844 22.625 2.243 1.00 56.64 H new ATOM 0 HE2 LYS A 87 3.604 24.166 0.417 1.00 58.91 H new ATOM 0 HE3 LYS A 87 2.853 24.976 1.778 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 4.367 26.456 0.603 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 4.936 26.174 2.178 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 5.663 25.389 0.860 1.00 58.16 H new ATOM 1382 N MET B 1 2.677 18.332 -3.998 1.00 42.32 N ATOM 1383 CA MET B 1 1.923 17.159 -3.471 1.00 40.89 C ATOM 1384 C MET B 1 1.818 16.093 -4.558 1.00 34.75 C ATOM 1385 O MET B 1 2.547 16.103 -5.529 1.00 33.97 O ATOM 1386 CB MET B 1 0.510 17.597 -3.065 1.00 48.45 C ATOM 1387 CG MET B 1 -0.337 17.845 -4.320 1.00 56.13 C ATOM 1388 SD MET B 1 -1.016 19.521 -4.258 1.00 64.91 S ATOM 1389 CE MET B 1 -1.704 19.421 -2.588 1.00 63.43 C ATOM 0 H1 MET B 1 3.481 18.538 -3.371 1.00 42.32 H new ATOM 0 H2 MET B 1 3.029 18.118 -4.953 1.00 42.32 H new ATOM 0 H3 MET B 1 2.048 19.159 -4.038 1.00 42.32 H new ATOM 0 HA MET B 1 2.447 16.755 -2.605 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.045 16.829 -2.447 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.559 18.504 -2.463 1.00 48.45 H new ATOM 0 HG2 MET B 1 0.272 17.719 -5.215 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.144 17.115 -4.379 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.581 20.065 -2.516 1.00 63.43 H new ATOM 0 HE2 MET B 1 -1.991 18.392 -2.374 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.955 19.746 -1.866 1.00 63.43 H new ATOM 1401 N ILE B 2 0.896 15.186 -4.410 1.00 28.59 N ATOM 1402 CA ILE B 2 0.720 14.136 -5.444 1.00 24.58 C ATOM 1403 C ILE B 2 -0.041 14.755 -6.608 1.00 19.29 C ATOM 1404 O ILE B 2 -1.233 14.575 -6.758 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.076 12.972 -4.867 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.353 12.737 -3.418 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.200 11.714 -5.693 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.346 11.493 -2.879 1.00 33.80 C ATOM 0 H ILE B 2 0.257 15.128 -3.617 1.00 28.59 H new ATOM 0 HA ILE B 2 1.688 13.761 -5.777 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.141 13.202 -4.898 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.434 12.613 -3.363 1.00 28.92 H new ATOM 0 HG13 ILE B 2 0.100 13.603 -2.807 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.368 10.878 -5.284 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.100 11.885 -6.727 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.264 11.482 -5.658 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.042 11.323 -1.846 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.426 11.636 -2.920 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.071 10.630 -3.485 1.00 33.80 H new ATOM 1420 N LYS B 3 0.640 15.514 -7.411 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.032 16.190 -8.550 1.00 16.66 C ATOM 1422 C LYS B 3 -0.497 15.173 -9.588 1.00 14.94 C ATOM 1423 O LYS B 3 -0.130 14.016 -9.565 1.00 13.94 O ATOM 1424 CB LYS B 3 0.936 17.184 -9.195 1.00 16.94 C ATOM 1425 CG LYS B 3 0.798 18.545 -8.508 1.00 17.85 C ATOM 1426 CD LYS B 3 1.814 19.524 -9.098 1.00 19.63 C ATOM 1427 CE LYS B 3 1.097 20.507 -10.026 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.242 21.891 -9.492 1.00 32.72 N ATOM 0 H LYS B 3 1.640 15.697 -7.328 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.907 16.720 -8.174 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.960 16.821 -9.106 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.722 17.278 -10.260 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.213 18.930 -8.642 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.960 18.440 -7.435 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.320 20.065 -8.298 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.581 18.980 -9.650 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.517 20.448 -11.030 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.042 20.245 -10.105 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.755 22.559 -10.123 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 0.822 21.942 -8.542 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.251 22.138 -9.438 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.312 15.620 -10.496 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.838 14.726 -11.561 1.00 12.99 C ATOM 1444 C VAL B 4 -2.710 15.555 -12.501 1.00 14.26 C ATOM 1445 O VAL B 4 -3.171 16.626 -12.161 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.673 13.594 -10.931 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.377 14.118 -9.687 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.725 13.074 -11.926 1.00 10.41 C ATOM 0 H VAL B 4 -1.642 16.584 -10.547 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.012 14.280 -12.115 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.004 12.775 -10.667 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.968 13.319 -9.240 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.635 14.466 -8.968 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.033 14.945 -9.961 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.303 12.276 -11.460 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.393 13.888 -12.208 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.226 12.689 -12.815 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.939 15.059 -13.675 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.783 15.799 -14.646 1.00 10.51 C ATOM 1460 C GLU B 5 -4.769 14.832 -15.279 1.00 10.00 C ATOM 1461 O GLU B 5 -4.399 13.919 -15.989 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.900 16.420 -15.729 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.336 17.744 -15.217 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.558 18.439 -16.335 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.573 17.874 -16.784 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.959 19.523 -16.724 1.00 19.38 O ATOM 0 H GLU B 5 -2.576 14.166 -14.009 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.325 16.594 -14.133 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.088 15.740 -15.987 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.479 16.584 -16.638 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.146 18.386 -14.871 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.683 17.566 -14.363 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.026 15.028 -15.024 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.041 14.120 -15.622 1.00 10.60 C ATOM 1475 C ILE B 6 -7.159 14.465 -17.114 1.00 10.16 C ATOM 1476 O ILE B 6 -7.813 15.418 -17.489 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.390 14.283 -14.881 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.536 13.151 -13.862 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.563 14.217 -15.856 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.107 13.643 -12.479 1.00 13.81 C ATOM 0 H ILE B 6 -6.396 15.772 -14.432 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.746 13.076 -15.521 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.399 15.255 -14.387 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.570 12.807 -13.832 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.926 12.299 -14.161 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.498 14.334 -15.309 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.470 15.016 -16.591 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.559 13.253 -16.365 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.212 12.834 -11.756 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.066 13.965 -12.514 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.736 14.481 -12.180 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.510 13.705 -17.965 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.561 13.994 -19.424 1.00 11.59 C ATOM 1494 C LYS B 7 -7.999 14.321 -19.841 1.00 12.98 C ATOM 1495 O LYS B 7 -8.922 14.144 -19.071 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.062 12.767 -20.191 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.636 13.011 -20.701 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.786 13.673 -19.612 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.375 15.072 -20.066 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.166 16.093 -19.322 1.00 25.43 N ATOM 0 H LYS B 7 -5.947 12.895 -17.705 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.928 14.851 -19.651 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.080 11.891 -19.543 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.726 12.557 -21.030 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.183 12.066 -21.000 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.663 13.646 -21.586 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.350 13.732 -18.681 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.901 13.070 -19.410 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.310 15.224 -19.890 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.540 15.180 -21.138 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.529 16.835 -18.968 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.872 16.516 -19.958 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.649 15.641 -18.520 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.142 14.791 -21.054 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.455 15.159 -21.610 1.00 11.93 C ATOM 1516 C PRO B 8 -10.248 13.903 -21.956 1.00 10.20 C ATOM 1517 O PRO B 8 -11.462 13.888 -21.920 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.104 15.970 -22.860 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.666 15.560 -23.256 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.012 14.985 -21.986 1.00 13.61 C ATOM 0 HA PRO B 8 -10.080 15.724 -20.918 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.804 15.760 -23.668 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.161 17.040 -22.658 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.680 14.819 -24.055 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.106 16.418 -23.627 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.500 14.045 -22.192 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.270 15.669 -21.575 1.00 13.61 H new ATOM 1528 N SER B 9 -9.565 12.844 -22.269 1.00 10.65 N ATOM 1529 CA SER B 9 -10.269 11.575 -22.596 1.00 10.83 C ATOM 1530 C SER B 9 -10.344 10.714 -21.333 1.00 10.94 C ATOM 1531 O SER B 9 -10.722 9.560 -21.377 1.00 13.16 O ATOM 1532 CB SER B 9 -9.497 10.826 -23.683 1.00 13.01 C ATOM 1533 OG SER B 9 -10.206 10.919 -24.911 1.00 15.52 O ATOM 0 H SER B 9 -8.547 12.800 -22.313 1.00 10.65 H new ATOM 0 HA SER B 9 -11.274 11.791 -22.958 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.499 11.249 -23.793 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.371 9.781 -23.401 1.00 13.01 H new ATOM 0 HG SER B 9 -9.713 10.441 -25.610 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.979 11.267 -20.204 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.022 10.480 -18.940 1.00 11.55 C ATOM 1541 C GLN B 10 -10.843 11.230 -17.888 1.00 13.72 C ATOM 1542 O GLN B 10 -10.687 11.018 -16.703 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.603 10.284 -18.415 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.643 10.184 -19.594 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.959 8.933 -20.415 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.344 9.027 -21.563 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.811 7.755 -19.872 1.00 4.80 N ATOM 0 H GLN B 10 -9.654 12.229 -20.106 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.482 9.512 -19.139 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.322 11.118 -17.771 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.548 9.380 -17.808 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.728 11.072 -20.220 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.615 10.144 -19.235 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -7.488 7.675 -18.908 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -8.019 6.915 -20.412 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.708 12.115 -18.306 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.522 12.882 -17.319 1.00 18.95 C ATOM 1558 C ALA B 11 -13.884 12.213 -17.126 1.00 20.75 C ATOM 1559 O ALA B 11 -14.802 12.799 -16.587 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.725 14.310 -17.828 1.00 17.72 C ATOM 0 H ALA B 11 -11.886 12.340 -19.285 1.00 15.28 H new ATOM 0 HA ALA B 11 -11.997 12.902 -16.364 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.320 14.872 -17.108 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.756 14.793 -17.953 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.244 14.284 -18.786 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.028 10.992 -17.559 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.334 10.297 -17.393 1.00 25.43 C ATOM 1568 C GLN B 12 -15.101 8.876 -16.884 1.00 22.80 C ATOM 1569 O GLN B 12 -14.172 8.205 -17.287 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.056 10.248 -18.737 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.838 11.545 -18.921 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.490 11.565 -20.306 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -16.832 11.338 -21.302 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -18.764 11.829 -20.412 1.00 47.90 N ATOM 0 H GLN B 12 -13.300 10.446 -18.020 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.944 10.840 -16.671 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.338 10.122 -19.547 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.730 9.392 -18.773 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.602 11.633 -18.148 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.172 12.401 -18.810 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.317 12.020 -19.576 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.207 11.845 -21.331 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.939 8.410 -15.999 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.765 7.034 -15.467 1.00 20.51 C ATOM 1585 C PHE B 13 -16.616 6.066 -16.282 1.00 18.83 C ATOM 1586 O PHE B 13 -17.626 6.436 -16.848 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.230 6.987 -14.015 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.688 7.374 -13.969 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.682 6.417 -14.204 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.046 8.702 -13.703 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.031 6.790 -14.171 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.391 9.074 -13.672 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.382 8.121 -13.905 1.00 18.48 C ATOM 0 H PHE B 13 -16.736 8.924 -15.623 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.713 6.754 -15.531 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.090 5.987 -13.604 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.637 7.668 -13.405 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.409 5.393 -14.410 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.279 9.440 -13.521 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.800 6.053 -14.350 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.664 10.099 -13.468 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.423 8.409 -13.880 1.00 18.48 H new ATOM 1603 N THR B 14 -16.230 4.827 -16.332 1.00 14.89 N ATOM 1604 CA THR B 14 -17.031 3.836 -17.094 1.00 13.37 C ATOM 1605 C THR B 14 -17.638 2.831 -16.116 1.00 11.97 C ATOM 1606 O THR B 14 -17.083 2.554 -15.071 1.00 10.76 O ATOM 1607 CB THR B 14 -16.141 3.103 -18.098 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.626 4.032 -19.041 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.963 2.039 -18.823 1.00 9.24 C ATOM 0 H THR B 14 -15.395 4.457 -15.879 1.00 14.89 H new ATOM 0 HA THR B 14 -17.824 4.350 -17.637 1.00 13.37 H new ATOM 0 HB THR B 14 -15.314 2.626 -17.572 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.054 3.563 -19.684 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.330 1.515 -19.539 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.356 1.327 -18.098 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.790 2.515 -19.350 1.00 9.24 H new ATOM 1617 N THR B 15 -18.776 2.290 -16.442 1.00 13.20 N ATOM 1618 CA THR B 15 -19.422 1.310 -15.528 1.00 12.54 C ATOM 1619 C THR B 15 -19.244 -0.104 -16.083 1.00 14.34 C ATOM 1620 O THR B 15 -19.652 -0.403 -17.188 1.00 17.35 O ATOM 1621 CB THR B 15 -20.914 1.630 -15.423 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.169 2.893 -16.020 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.329 1.666 -13.952 1.00 8.30 C ATOM 0 H THR B 15 -19.288 2.484 -17.303 1.00 13.20 H new ATOM 0 HA THR B 15 -18.961 1.371 -14.542 1.00 12.54 H new ATOM 0 HB THR B 15 -21.487 0.861 -15.940 1.00 11.88 H new ATOM 0 HG1 THR B 15 -22.125 3.099 -15.955 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.392 1.894 -13.879 1.00 8.30 H new ATOM 0 HG22 THR B 15 -21.134 0.696 -13.495 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.757 2.434 -13.431 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.908 -1.060 -10.221 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.412 0.250 -9.720 1.00 16.31 C ATOM 1818 C LEU B 28 -17.849 1.077 -10.881 1.00 14.21 C ATOM 1819 O LEU B 28 -17.350 0.546 -11.853 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.321 0.001 -8.675 1.00 16.48 C ATOM 1821 CG LEU B 28 -16.015 -0.384 -9.371 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -15.003 0.756 -9.223 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -15.453 -1.654 -8.727 1.00 22.01 C ATOM 0 HA LEU B 28 -19.234 0.804 -9.267 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.172 0.896 -8.071 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.630 -0.794 -7.996 1.00 16.48 H new ATOM 0 HG LEU B 28 -16.204 -0.565 -10.429 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -14.072 0.482 -9.719 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -15.405 1.661 -9.679 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -14.811 0.937 -8.165 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -14.522 -1.931 -9.221 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -15.262 -1.472 -7.669 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.174 -2.465 -8.831 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.928 2.376 -10.780 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.400 3.248 -11.868 1.00 9.77 C ATOM 1837 C ASN B 29 -15.870 3.215 -11.852 1.00 7.94 C ATOM 1838 O ASN B 29 -15.252 3.034 -10.821 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.860 4.685 -11.630 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.369 4.800 -11.838 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.023 3.836 -12.184 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.955 5.951 -11.639 1.00 12.89 N ATOM 0 H ASN B 29 -18.337 2.872 -9.988 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.769 2.889 -12.829 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.601 4.994 -10.617 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.340 5.358 -12.311 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.962 6.041 -11.774 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.405 6.760 -11.349 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.256 3.405 -12.985 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.767 3.405 -13.044 1.00 13.16 C ATOM 1851 C GLU B 30 -13.309 4.595 -13.893 1.00 12.26 C ATOM 1852 O GLU B 30 -13.827 4.836 -14.965 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.279 2.103 -13.682 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.120 1.032 -12.600 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.875 -0.235 -13.011 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -14.489 -0.222 -14.065 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -13.825 -1.198 -12.264 1.00 40.03 O ATOM 0 H GLU B 30 -15.723 3.561 -13.878 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.355 3.485 -12.038 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.989 1.768 -14.439 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.328 2.268 -14.188 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.064 0.805 -12.452 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.503 1.403 -11.649 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.353 5.349 -13.422 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.885 6.526 -14.209 1.00 9.46 C ATOM 1866 C GLN B 31 -10.381 6.419 -14.468 1.00 10.09 C ATOM 1867 O GLN B 31 -9.750 5.432 -14.145 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.169 7.810 -13.422 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.617 8.917 -14.381 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.604 10.063 -14.349 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.452 9.863 -14.020 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.989 11.266 -14.679 1.00 12.39 N ATOM 0 H GLN B 31 -11.878 5.202 -12.531 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.414 6.549 -15.162 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.943 7.627 -12.676 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.275 8.123 -12.883 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.703 8.522 -15.393 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.604 9.282 -14.096 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.956 11.434 -14.955 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.322 12.038 -14.661 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.807 7.437 -15.046 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.345 7.418 -15.329 1.00 10.34 C ATOM 1883 C LEU B 32 -7.783 8.826 -15.122 1.00 9.02 C ATOM 1884 O LEU B 32 -8.483 9.809 -15.265 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.108 6.976 -16.776 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.494 5.505 -16.932 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.786 5.401 -17.746 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.371 4.760 -17.659 1.00 15.89 C ATOM 0 H LEU B 32 -10.291 8.287 -15.336 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.847 6.719 -14.657 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.697 7.591 -17.456 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.061 7.118 -17.044 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.648 5.062 -15.948 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -10.062 4.353 -17.858 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.585 5.934 -17.230 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.632 5.843 -18.731 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.644 3.711 -17.771 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.218 5.203 -18.643 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.450 4.835 -17.080 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.526 8.937 -14.789 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.924 10.282 -14.576 1.00 8.10 C ATOM 1902 C CYS B 33 -4.436 10.182 -14.877 1.00 6.34 C ATOM 1903 O CYS B 33 -3.950 9.145 -15.268 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.117 10.745 -13.123 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.601 9.990 -12.408 1.00 13.84 S ATOM 0 H CYS B 33 -5.889 8.152 -14.655 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.410 11.006 -15.231 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.243 10.475 -12.530 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.202 11.831 -13.089 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.599 10.133 -13.229 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.705 11.241 -14.704 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.252 11.172 -14.997 1.00 7.08 C ATOM 1913 C TYR B 34 -1.458 11.724 -13.817 1.00 7.71 C ATOM 1914 O TYR B 34 -1.315 12.920 -13.661 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.952 12.013 -16.224 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.175 11.201 -17.477 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.150 10.390 -17.983 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.397 11.286 -18.148 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -1.348 9.668 -19.158 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.594 10.564 -19.327 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.568 9.759 -19.831 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.763 9.046 -20.996 1.00 21.14 O ATOM 0 H TYR B 34 -4.046 12.144 -14.375 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.970 10.134 -15.172 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.592 12.896 -16.235 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.922 12.367 -16.189 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.206 10.325 -17.462 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -4.188 11.909 -17.756 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.560 9.040 -19.547 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.538 10.627 -19.849 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.665 9.219 -21.338 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.935 10.870 -12.988 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.150 11.366 -11.827 1.00 10.66 C ATOM 1934 C VAL B 35 1.335 11.372 -12.183 1.00 10.57 C ATOM 1935 O VAL B 35 1.938 10.337 -12.386 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.385 10.457 -10.620 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.427 10.975 -9.431 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.874 10.463 -10.265 1.00 9.86 C ATOM 0 H VAL B 35 -1.016 9.856 -13.062 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.469 12.379 -11.581 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.072 9.440 -10.858 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.262 10.329 -8.569 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.487 10.975 -9.686 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.112 11.990 -9.190 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.046 9.816 -9.405 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.186 11.479 -10.023 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.452 10.098 -11.114 1.00 9.86 H new ATOM 1948 N ASP B 36 1.934 12.531 -12.262 1.00 8.58 N ATOM 1949 CA ASP B 36 3.372 12.593 -12.597 1.00 11.48 C ATOM 1950 C ASP B 36 4.157 11.880 -11.499 1.00 12.38 C ATOM 1951 O ASP B 36 5.219 11.340 -11.728 1.00 11.89 O ATOM 1952 CB ASP B 36 3.816 14.055 -12.685 1.00 16.17 C ATOM 1953 CG ASP B 36 5.049 14.162 -13.584 1.00 17.97 C ATOM 1954 OD1 ASP B 36 6.069 13.594 -13.228 1.00 15.67 O ATOM 1955 OD2 ASP B 36 4.953 14.811 -14.613 1.00 25.89 O ATOM 0 H ASP B 36 1.483 13.433 -12.108 1.00 8.58 H new ATOM 0 HA ASP B 36 3.554 12.111 -13.557 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.008 14.668 -13.084 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.044 14.437 -11.690 1.00 16.17 H new ATOM 1960 N LEU B 37 3.632 11.873 -10.305 1.00 13.17 N ATOM 1961 CA LEU B 37 4.334 11.195 -9.183 1.00 18.47 C ATOM 1962 C LEU B 37 5.809 11.591 -9.193 1.00 21.14 C ATOM 1963 O LEU B 37 6.659 10.874 -8.705 1.00 24.24 O ATOM 1964 CB LEU B 37 4.212 9.681 -9.342 1.00 15.81 C ATOM 1965 CG LEU B 37 4.840 8.997 -8.129 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.790 8.128 -7.432 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.007 8.120 -8.587 1.00 20.01 C ATOM 0 H LEU B 37 2.744 12.310 -10.059 1.00 13.17 H new ATOM 0 HA LEU B 37 3.882 11.497 -8.238 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.164 9.396 -9.433 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.711 9.358 -10.256 1.00 15.81 H new ATOM 0 HG LEU B 37 5.204 9.753 -7.433 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.238 7.640 -6.566 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.959 8.753 -7.106 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.425 7.371 -8.126 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.456 7.631 -7.722 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.643 7.364 -9.283 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.755 8.739 -9.083 1.00 20.01 H new ATOM 1979 N GLY B 38 6.117 12.731 -9.742 1.00 20.70 N ATOM 1980 CA GLY B 38 7.533 13.180 -9.781 1.00 23.91 C ATOM 1981 C GLY B 38 8.303 12.382 -10.841 1.00 26.50 C ATOM 1982 O GLY B 38 9.517 12.387 -10.872 1.00 31.02 O ATOM 0 H GLY B 38 5.447 13.372 -10.166 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.580 14.245 -10.009 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.995 13.043 -8.803 1.00 23.91 H new ATOM 1986 N ASN B 39 7.607 11.686 -11.703 1.00 27.64 N ATOM 1987 CA ASN B 39 8.299 10.882 -12.749 1.00 30.27 C ATOM 1988 C ASN B 39 8.605 11.751 -13.972 1.00 26.79 C ATOM 1989 O ASN B 39 8.923 11.256 -15.034 1.00 26.87 O ATOM 1990 CB ASN B 39 7.407 9.709 -13.167 1.00 35.62 C ATOM 1991 CG ASN B 39 7.021 8.890 -11.932 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.808 8.741 -11.019 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.834 8.350 -11.865 1.00 39.63 N ATOM 0 H ASN B 39 6.588 11.641 -11.726 1.00 27.64 H new ATOM 0 HA ASN B 39 9.236 10.504 -12.340 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.511 10.080 -13.664 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.932 9.078 -13.885 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.568 7.803 -11.046 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.173 8.475 -12.632 1.00 39.63 H new ATOM 2000 N GLU B 40 8.521 13.041 -13.825 1.00 25.15 N ATOM 2001 CA GLU B 40 8.815 13.953 -14.973 1.00 23.81 C ATOM 2002 C GLU B 40 7.846 13.686 -16.133 1.00 21.12 C ATOM 2003 O GLU B 40 8.028 14.174 -17.229 1.00 19.86 O ATOM 2004 CB GLU B 40 10.251 13.723 -15.448 1.00 27.22 C ATOM 2005 CG GLU B 40 11.221 14.044 -14.310 1.00 34.87 C ATOM 2006 CD GLU B 40 12.458 13.151 -14.426 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.389 12.017 -13.981 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.452 13.615 -14.958 1.00 39.54 O ATOM 0 H GLU B 40 8.261 13.510 -12.957 1.00 25.15 H new ATOM 0 HA GLU B 40 8.693 14.985 -14.643 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.378 12.689 -15.768 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.465 14.353 -16.312 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.512 15.094 -14.351 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.734 13.886 -13.348 1.00 34.87 H new ATOM 2015 N HIS B 41 6.816 12.925 -15.894 1.00 4.47 N ATOM 2016 CA HIS B 41 5.823 12.625 -16.969 1.00 4.01 C ATOM 2017 C HIS B 41 4.540 12.138 -16.303 1.00 3.04 C ATOM 2018 O HIS B 41 4.589 11.599 -15.218 1.00 2.22 O ATOM 2019 CB HIS B 41 6.369 11.530 -17.891 1.00 4.28 C ATOM 2020 CG HIS B 41 7.665 11.983 -18.504 1.00 3.86 C ATOM 2021 ND1 HIS B 41 8.875 11.876 -17.837 1.00 4.16 N ATOM 2022 CD2 HIS B 41 7.956 12.546 -19.722 1.00 4.84 C ATOM 2023 CE1 HIS B 41 9.830 12.364 -18.650 1.00 5.55 C ATOM 2024 NE2 HIS B 41 9.324 12.786 -19.812 1.00 6.38 N ATOM 0 H HIS B 41 6.615 12.493 -14.992 1.00 4.47 H new ATOM 0 HA HIS B 41 5.630 13.518 -17.563 1.00 4.01 H new ATOM 0 HB2 HIS B 41 6.524 10.610 -17.327 1.00 4.28 H new ATOM 0 HB3 HIS B 41 5.644 11.305 -18.674 1.00 4.28 H new ATOM 0 HD1 HIS B 41 9.016 11.497 -16.901 1.00 4.16 H new ATOM 0 HD2 HIS B 41 7.233 12.769 -20.493 1.00 4.84 H new ATOM 0 HE1 HIS B 41 10.878 12.409 -18.394 1.00 5.55 H new ATOM 2032 N PRO B 42 3.426 12.342 -16.956 1.00 15.11 N ATOM 2033 CA PRO B 42 2.123 11.933 -16.412 1.00 16.08 C ATOM 2034 C PRO B 42 1.941 10.426 -16.543 1.00 17.92 C ATOM 2035 O PRO B 42 2.242 9.839 -17.563 1.00 17.13 O ATOM 2036 CB PRO B 42 1.115 12.670 -17.289 1.00 16.41 C ATOM 2037 CG PRO B 42 1.839 12.980 -18.611 1.00 13.79 C ATOM 2038 CD PRO B 42 3.351 12.981 -18.288 1.00 16.28 C ATOM 0 HA PRO B 42 2.014 12.167 -15.353 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.231 12.057 -17.464 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.777 13.587 -16.806 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.604 12.232 -19.368 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.526 13.945 -19.009 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.920 12.423 -19.032 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.756 13.993 -18.270 1.00 16.28 H new ATOM 2046 N VAL B 43 1.442 9.797 -15.523 1.00 16.29 N ATOM 2047 CA VAL B 43 1.231 8.331 -15.594 1.00 14.28 C ATOM 2048 C VAL B 43 -0.265 8.045 -15.620 1.00 9.00 C ATOM 2049 O VAL B 43 -0.988 8.371 -14.700 1.00 7.99 O ATOM 2050 CB VAL B 43 1.866 7.661 -14.379 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.291 8.186 -14.191 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.036 7.975 -13.131 1.00 20.57 C ATOM 0 H VAL B 43 1.171 10.235 -14.642 1.00 16.29 H new ATOM 0 HA VAL B 43 1.694 7.936 -16.498 1.00 14.28 H new ATOM 0 HB VAL B 43 1.895 6.582 -14.534 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.744 7.707 -13.323 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.882 7.961 -15.079 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.264 9.265 -14.037 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.489 7.497 -12.263 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.005 9.054 -12.976 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.022 7.599 -13.264 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.738 7.447 -16.675 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.188 7.158 -16.766 1.00 11.55 C ATOM 2064 C LEU B 44 -2.557 6.011 -15.829 1.00 10.61 C ATOM 2065 O LEU B 44 -2.303 4.855 -16.105 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.551 6.784 -18.196 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.032 6.431 -18.255 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.854 7.600 -17.705 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.433 6.162 -19.707 1.00 20.21 C ATOM 0 H LEU B 44 -0.182 7.147 -17.476 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.742 8.049 -16.472 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.335 7.614 -18.869 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.949 5.939 -18.529 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.220 5.540 -17.656 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.914 7.350 -17.746 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.566 7.793 -16.671 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.667 8.490 -18.306 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.492 5.909 -19.751 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.247 7.053 -20.307 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.845 5.332 -20.099 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.172 6.330 -14.730 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.587 5.282 -13.765 1.00 9.29 C ATOM 2083 C VAL B 45 -5.098 5.149 -13.819 1.00 9.95 C ATOM 2084 O VAL B 45 -5.762 5.803 -14.600 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.179 5.688 -12.354 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.662 5.873 -12.290 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -3.873 7.002 -11.983 1.00 10.20 C ATOM 0 H VAL B 45 -3.408 7.284 -14.456 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.108 4.337 -14.021 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.475 4.909 -11.652 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.373 6.163 -11.280 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -1.170 4.937 -12.553 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -1.360 6.651 -12.991 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.583 7.295 -10.974 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.577 7.781 -12.686 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -4.954 6.867 -12.025 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.652 4.312 -13.001 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.125 4.153 -13.026 1.00 12.81 C ATOM 2099 C LYS B 46 -7.746 4.761 -11.768 1.00 13.35 C ATOM 2100 O LYS B 46 -7.114 4.870 -10.735 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.485 2.669 -13.118 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.497 2.460 -14.246 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.799 1.823 -15.448 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.443 0.470 -15.754 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.880 -0.072 -17.023 1.00 36.74 N ATOM 0 H LYS B 46 -5.156 3.735 -12.321 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.520 4.674 -13.899 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.589 2.077 -13.304 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.903 2.326 -12.172 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -9.311 1.821 -13.904 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.940 3.414 -14.533 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.875 2.478 -16.316 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.737 1.693 -15.239 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.259 -0.226 -14.935 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -9.524 0.581 -15.841 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.317 -0.992 -17.232 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -8.077 0.590 -17.801 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.852 -0.192 -16.923 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.986 5.161 -11.855 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.667 5.766 -10.682 1.00 16.93 C ATOM 2121 C ILE B 47 -10.987 5.026 -10.431 1.00 16.52 C ATOM 2122 O ILE B 47 -11.431 4.233 -11.237 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.917 7.265 -10.969 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.950 8.101 -10.133 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.357 7.675 -10.618 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -9.384 8.066 -8.667 1.00 18.26 C ATOM 0 H ILE B 47 -9.558 5.093 -12.697 1.00 13.96 H new ATOM 0 HA ILE B 47 -9.047 5.679 -9.790 1.00 16.93 H new ATOM 0 HB ILE B 47 -9.760 7.437 -12.034 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -7.936 7.713 -10.233 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.935 9.129 -10.495 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.496 8.735 -10.833 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -12.057 7.089 -11.213 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.539 7.492 -9.559 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.695 8.662 -8.069 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.390 8.475 -8.576 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.377 7.036 -8.310 1.00 18.26 H new ATOM 2138 N THR B 48 -11.619 5.291 -9.322 1.00 16.86 N ATOM 2139 CA THR B 48 -12.911 4.619 -9.019 1.00 16.59 C ATOM 2140 C THR B 48 -13.983 5.687 -8.797 1.00 19.04 C ATOM 2141 O THR B 48 -13.840 6.563 -7.967 1.00 22.56 O ATOM 2142 CB THR B 48 -12.757 3.762 -7.760 1.00 16.30 C ATOM 2143 OG1 THR B 48 -12.055 2.570 -8.084 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.136 3.405 -7.200 1.00 16.02 C ATOM 0 H THR B 48 -11.295 5.946 -8.611 1.00 16.86 H new ATOM 0 HA THR B 48 -13.203 3.977 -9.850 1.00 16.59 H new ATOM 0 HB THR B 48 -12.201 4.324 -7.010 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.954 2.021 -7.279 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.018 2.795 -6.304 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.674 4.319 -6.949 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.699 2.846 -7.948 1.00 16.02 H new ATOM 2152 N LEU B 49 -15.052 5.626 -9.538 1.00 18.35 N ATOM 2153 CA LEU B 49 -16.132 6.638 -9.382 1.00 18.82 C ATOM 2154 C LEU B 49 -17.287 6.028 -8.587 1.00 20.06 C ATOM 2155 O LEU B 49 -17.381 4.826 -8.431 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.623 7.056 -10.775 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.363 8.544 -11.021 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.451 9.371 -10.330 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.989 8.940 -10.468 1.00 14.50 C ATOM 0 H LEU B 49 -15.225 4.915 -10.249 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.754 7.511 -8.849 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -16.116 6.463 -11.537 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.689 6.849 -10.867 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.380 8.736 -12.094 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.268 10.431 -10.504 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.426 9.100 -10.735 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.435 9.171 -9.259 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.816 10.001 -10.649 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.958 8.745 -9.396 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.215 8.356 -10.965 1.00 14.50 H new ATOM 2171 N ASP B 50 -18.167 6.846 -8.081 1.00 22.62 N ATOM 2172 CA ASP B 50 -19.316 6.313 -7.295 1.00 27.04 C ATOM 2173 C ASP B 50 -20.593 6.399 -8.134 1.00 27.73 C ATOM 2174 O ASP B 50 -20.628 7.041 -9.166 1.00 26.65 O ATOM 2175 CB ASP B 50 -19.487 7.140 -6.019 1.00 29.11 C ATOM 2176 CG ASP B 50 -19.716 6.203 -4.831 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.739 5.706 -4.296 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -20.866 5.999 -4.477 1.00 33.99 O ATOM 0 H ASP B 50 -18.141 7.861 -8.177 1.00 22.62 H new ATOM 0 HA ASP B 50 -19.125 5.273 -7.032 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.601 7.752 -5.848 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -20.330 7.823 -6.125 1.00 29.11 H new ATOM 2183 N GLU B 51 -21.643 5.758 -7.700 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.916 5.803 -8.473 1.00 34.22 C ATOM 2185 C GLU B 51 -23.557 7.183 -8.318 1.00 34.98 C ATOM 2186 O GLU B 51 -24.368 7.406 -7.440 1.00 34.19 O ATOM 2187 CB GLU B 51 -23.873 4.733 -7.942 1.00 38.24 C ATOM 2188 CG GLU B 51 -24.779 4.249 -9.076 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.825 3.284 -8.517 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -26.516 3.665 -7.586 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.918 2.181 -9.028 1.00 53.83 O ATOM 0 H GLU B 51 -21.674 5.205 -6.843 1.00 31.16 H new ATOM 0 HA GLU B 51 -22.709 5.615 -9.526 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -23.308 3.896 -7.532 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -24.475 5.140 -7.130 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -25.270 5.098 -9.551 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -24.185 3.753 -9.844 1.00 46.84 H new ATOM 2198 N GLY B 52 -23.200 8.112 -9.162 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.789 9.477 -9.061 1.00 34.93 C ATOM 2200 C GLY B 52 -22.669 10.519 -9.053 1.00 36.10 C ATOM 2201 O GLY B 52 -22.861 11.655 -9.437 1.00 35.97 O ATOM 0 H GLY B 52 -22.526 7.985 -9.917 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.461 9.657 -9.900 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.384 9.561 -8.152 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.498 10.141 -8.617 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.369 11.112 -8.583 1.00 35.40 C ATOM 2207 C GLN B 53 -19.867 11.362 -10.011 1.00 31.02 C ATOM 2208 O GLN B 53 -19.794 10.447 -10.806 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.228 10.538 -7.741 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.205 11.222 -6.373 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.774 11.230 -5.830 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.830 11.037 -6.570 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.573 11.444 -4.558 1.00 54.76 N ATOM 0 H GLN B 53 -21.275 9.203 -8.284 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.711 12.050 -8.145 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.358 9.463 -7.619 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.276 10.688 -8.250 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.578 12.242 -6.459 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.865 10.698 -5.681 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.365 11.606 -3.937 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.623 11.449 -4.186 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.532 12.598 -10.292 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.028 13.000 -11.615 1.00 23.44 C ATOM 2224 C PRO B 54 -17.547 12.636 -11.753 1.00 20.14 C ATOM 2225 O PRO B 54 -16.713 13.109 -11.007 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.216 14.516 -11.628 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.273 14.957 -10.150 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.627 13.706 -9.324 1.00 28.37 C ATOM 0 HA PRO B 54 -19.544 12.505 -12.438 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.393 15.006 -12.149 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.132 14.790 -12.151 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.316 15.371 -9.833 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.020 15.738 -10.008 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.936 13.569 -8.492 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.628 13.779 -8.899 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.215 11.796 -12.695 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.792 11.401 -12.874 1.00 15.58 C ATOM 2238 C ALA B 55 -14.882 12.622 -12.740 1.00 16.41 C ATOM 2239 O ALA B 55 -15.289 13.745 -12.966 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.612 10.792 -14.261 1.00 13.98 C ATOM 0 H ALA B 55 -17.870 11.366 -13.349 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.526 10.674 -12.107 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.571 10.500 -14.398 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.250 9.914 -14.358 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.886 11.526 -15.019 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.646 12.405 -12.381 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.694 13.540 -12.236 1.00 14.61 C ATOM 2248 C TYR B 56 -12.748 14.413 -13.492 1.00 15.51 C ATOM 2249 O TYR B 56 -12.342 14.002 -14.560 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.278 12.991 -12.060 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.164 12.246 -10.743 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.218 12.273 -9.817 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.001 11.528 -10.456 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -12.102 11.580 -8.606 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -9.886 10.837 -9.248 1.00 7.90 C ATOM 2256 CZ TYR B 56 -10.935 10.861 -8.321 1.00 10.29 C ATOM 2257 OH TYR B 56 -10.818 10.177 -7.128 1.00 12.03 O ATOM 0 H TYR B 56 -13.254 11.485 -12.181 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.966 14.137 -11.366 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.034 12.323 -12.886 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.557 13.808 -12.087 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -13.118 12.828 -10.038 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -9.190 11.507 -11.169 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.912 11.600 -7.892 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -8.986 10.283 -9.028 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.530 9.507 -7.064 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.245 15.614 -13.375 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.317 16.506 -14.565 1.00 14.95 C ATOM 2269 C ALA B 57 -11.901 16.764 -15.089 1.00 15.46 C ATOM 2270 O ALA B 57 -10.935 16.320 -14.500 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.966 17.834 -14.170 1.00 14.98 C ATOM 0 H ALA B 57 -13.603 16.015 -12.508 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.914 16.030 -15.343 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.018 18.487 -15.041 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.972 17.650 -13.794 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.370 18.313 -13.393 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.820 17.477 -16.183 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.533 17.815 -16.816 1.00 16.55 C ATOM 2279 C PRO B 58 -9.842 18.948 -16.050 1.00 16.75 C ATOM 2280 O PRO B 58 -10.377 20.029 -15.904 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.933 18.265 -18.224 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.416 18.696 -18.140 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.002 18.014 -16.889 1.00 13.96 C ATOM 0 HA PRO B 58 -9.827 16.985 -16.826 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.307 19.091 -18.560 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.804 17.455 -18.942 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.501 19.780 -18.066 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.959 18.394 -19.036 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.549 18.723 -16.268 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.700 17.221 -17.158 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.655 18.707 -15.559 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.935 19.770 -14.802 1.00 15.08 C ATOM 2293 C GLY B 59 -6.789 19.148 -14.000 1.00 14.96 C ATOM 2294 O GLY B 59 -6.600 17.949 -14.003 1.00 13.79 O ATOM 0 H GLY B 59 -8.155 17.823 -15.650 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.545 20.519 -15.491 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.625 20.282 -14.131 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.026 19.954 -13.308 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.900 19.408 -12.496 1.00 14.53 C ATOM 2300 C LEU B 60 -5.476 18.671 -11.290 1.00 14.15 C ATOM 2301 O LEU B 60 -6.608 18.890 -10.912 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.016 20.560 -12.013 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.876 20.780 -13.005 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.398 21.548 -14.222 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.763 21.585 -12.330 1.00 15.01 C ATOM 0 H LEU B 60 -6.135 20.967 -13.271 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.304 18.724 -13.100 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.608 21.470 -11.916 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.614 20.334 -11.025 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.483 19.816 -13.328 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.584 21.705 -14.930 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.191 20.974 -14.702 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.792 22.513 -13.902 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.948 21.743 -13.037 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.156 22.549 -12.007 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.391 21.037 -11.464 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.724 17.793 -10.682 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.272 17.059 -9.516 1.00 9.57 C ATOM 2319 C TYR B 61 -4.225 16.851 -8.440 1.00 11.76 C ATOM 2320 O TYR B 61 -3.035 16.989 -8.650 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.804 15.705 -9.968 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.217 15.898 -10.440 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.456 16.465 -11.692 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.285 15.538 -9.611 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.767 16.670 -12.123 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.596 15.746 -10.040 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.835 16.311 -11.294 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.132 16.511 -11.724 1.00 14.61 O ATOM 0 H TYR B 61 -3.766 17.557 -10.941 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.077 17.660 -9.094 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.186 15.301 -10.770 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.770 14.989 -9.147 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.628 16.745 -12.326 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.095 15.100 -8.642 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -8.957 17.104 -13.093 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.424 15.471 -9.404 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.145 16.583 -12.701 1.00 14.61 H new ATOM 2338 N THR B 62 -4.693 16.496 -7.285 1.00 12.22 N ATOM 2339 CA THR B 62 -3.804 16.230 -6.142 1.00 14.26 C ATOM 2340 C THR B 62 -4.466 15.142 -5.325 1.00 15.40 C ATOM 2341 O THR B 62 -5.576 15.295 -4.855 1.00 16.24 O ATOM 2342 CB THR B 62 -3.654 17.483 -5.294 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.920 17.851 -4.765 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.110 18.613 -6.163 1.00 11.61 C ATOM 0 H THR B 62 -5.686 16.377 -7.084 1.00 12.22 H new ATOM 0 HA THR B 62 -2.812 15.929 -6.480 1.00 14.26 H new ATOM 0 HB THR B 62 -2.964 17.292 -4.472 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.824 18.658 -4.217 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.000 19.515 -5.561 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.139 18.326 -6.567 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.802 18.807 -6.983 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.820 14.039 -5.164 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.459 12.951 -4.392 1.00 15.17 C ATOM 2354 C VAL B 63 -4.918 13.515 -3.055 1.00 14.24 C ATOM 2355 O VAL B 63 -4.593 14.628 -2.692 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.488 11.795 -4.181 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.253 10.593 -3.635 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.847 11.417 -5.522 1.00 18.64 C ATOM 0 H VAL B 63 -2.888 13.839 -5.527 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.315 12.563 -4.944 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.712 12.092 -3.476 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.564 9.762 -3.482 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.718 10.858 -2.686 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.024 10.298 -4.347 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.152 10.590 -5.373 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.624 11.116 -6.225 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.309 12.276 -5.923 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.681 12.765 -2.327 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.175 13.263 -1.018 1.00 10.78 C ATOM 2370 C HIS B 64 -5.934 12.190 0.046 1.00 14.19 C ATOM 2371 O HIS B 64 -6.429 11.079 -0.056 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.668 13.574 -1.126 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.050 14.604 -0.100 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.409 14.700 1.124 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -9.025 15.570 -0.092 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -8.007 15.683 1.819 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.999 16.250 1.123 1.00 20.65 N ATOM 0 H HIS B 64 -5.987 11.825 -2.579 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.644 14.173 -0.738 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.901 13.940 -2.126 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.250 12.665 -0.976 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.708 15.772 -0.904 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.721 15.979 2.818 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.605 17.015 1.419 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.163 12.509 1.053 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.862 11.517 2.121 1.00 14.44 C ATOM 2387 C LEU B 65 -6.155 11.115 2.830 1.00 12.66 C ATOM 2388 O LEU B 65 -6.194 10.147 3.565 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.830 12.140 3.089 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.312 12.177 4.551 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.183 11.708 5.461 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -4.706 13.611 4.917 1.00 19.03 C ATOM 0 H LEU B 65 -4.727 13.422 1.180 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.433 10.607 1.701 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -2.901 11.572 3.034 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.603 13.155 2.763 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.175 11.522 4.674 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.518 11.732 6.498 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -2.900 10.690 5.194 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -2.323 12.367 5.342 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -5.048 13.642 5.952 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -3.843 14.266 4.801 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -5.508 13.947 4.260 1.00 19.03 H new ATOM 2404 N SER B 66 -7.220 11.829 2.607 1.00 13.51 N ATOM 2405 CA SER B 66 -8.500 11.460 3.264 1.00 10.39 C ATOM 2406 C SER B 66 -8.716 9.953 3.099 1.00 8.56 C ATOM 2407 O SER B 66 -9.475 9.339 3.823 1.00 11.70 O ATOM 2408 CB SER B 66 -9.652 12.219 2.604 1.00 12.88 C ATOM 2409 OG SER B 66 -10.881 11.805 3.186 1.00 14.72 O ATOM 0 H SER B 66 -7.259 12.648 2.001 1.00 13.51 H new ATOM 0 HA SER B 66 -8.465 11.718 4.322 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.518 13.293 2.735 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.662 12.027 1.531 1.00 12.88 H new ATOM 0 HG SER B 66 -11.622 12.291 2.766 1.00 14.72 H new ATOM 2415 N SER B 67 -8.059 9.358 2.137 1.00 7.98 N ATOM 2416 CA SER B 67 -8.225 7.897 1.903 1.00 8.20 C ATOM 2417 C SER B 67 -7.098 7.099 2.577 1.00 11.02 C ATOM 2418 O SER B 67 -7.144 5.886 2.628 1.00 11.45 O ATOM 2419 CB SER B 67 -8.201 7.624 0.400 1.00 8.01 C ATOM 2420 OG SER B 67 -9.206 8.402 -0.235 1.00 11.22 O ATOM 0 H SER B 67 -7.412 9.826 1.502 1.00 7.98 H new ATOM 0 HA SER B 67 -9.177 7.584 2.332 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.221 7.870 -0.010 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.370 6.564 0.209 1.00 8.01 H new ATOM 0 HG SER B 67 -9.701 7.842 -0.869 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.082 7.751 3.086 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.970 6.989 3.736 1.00 11.79 C ATOM 2428 C PHE B 68 -5.376 6.594 5.158 1.00 12.69 C ATOM 2429 O PHE B 68 -6.281 7.162 5.737 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.697 7.846 3.792 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.396 8.435 2.428 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.108 8.008 1.297 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.421 9.428 2.306 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.840 8.576 0.049 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.155 9.998 1.057 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.865 9.571 -0.070 1.00 11.87 C ATOM 0 H PHE B 68 -5.974 8.765 3.081 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.771 6.093 3.148 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.822 8.646 4.521 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.856 7.238 4.126 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.862 7.241 1.391 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.872 9.756 3.177 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.385 8.247 -0.823 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.402 10.767 0.963 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.660 10.011 -1.035 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.710 5.624 5.724 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.054 5.191 7.109 1.00 15.38 C ATOM 2448 C LYS B 69 -3.783 4.776 7.850 1.00 15.02 C ATOM 2449 O LYS B 69 -2.707 4.738 7.287 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.017 4.002 7.057 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.431 2.903 6.166 1.00 20.35 C ATOM 2452 CD LYS B 69 -6.185 1.594 6.408 1.00 21.35 C ATOM 2453 CE LYS B 69 -5.213 0.415 6.324 1.00 30.24 C ATOM 2454 NZ LYS B 69 -4.274 0.624 5.187 1.00 32.70 N ATOM 0 H LYS B 69 -3.943 5.113 5.287 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.528 6.021 7.633 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.189 3.616 8.062 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.984 4.321 6.669 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -5.508 3.191 5.117 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.371 2.770 6.383 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -6.663 1.614 7.387 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -6.977 1.478 5.669 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -4.656 0.322 7.257 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -5.764 -0.515 6.188 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -3.970 -0.298 4.814 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -4.753 1.160 4.436 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -3.443 1.156 5.516 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.904 4.462 9.109 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.709 4.044 9.896 1.00 13.49 C ATOM 2470 C VAL B 70 -2.898 2.604 10.377 1.00 11.85 C ATOM 2471 O VAL B 70 -3.913 2.260 10.951 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.540 4.964 11.103 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.098 4.885 11.609 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.866 6.405 10.705 1.00 15.63 C ATOM 0 H VAL B 70 -4.781 4.477 9.629 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.821 4.108 9.267 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.220 4.648 11.894 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.978 5.542 12.470 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.870 3.860 11.900 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.417 5.197 10.817 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.744 7.058 11.569 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.191 6.725 9.911 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.895 6.461 10.351 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.932 1.758 10.146 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.062 0.341 10.591 1.00 11.07 C ATOM 2486 C GLY B 71 -1.523 0.200 12.015 1.00 12.15 C ATOM 2487 O GLY B 71 -0.888 1.094 12.539 1.00 12.70 O ATOM 0 H GLY B 71 -1.060 1.986 9.669 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.107 0.032 10.554 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -1.512 -0.315 9.916 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.768 -0.915 12.649 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.266 -1.105 14.037 1.00 19.42 C ATOM 2493 C GLN B 72 0.229 -1.422 14.005 1.00 16.97 C ATOM 2494 O GLN B 72 0.860 -1.615 15.025 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.034 -2.252 14.704 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.298 -2.711 15.965 1.00 25.29 C ATOM 2497 CD GLN B 72 -0.301 -3.815 15.604 1.00 26.29 C ATOM 2498 OE1 GLN B 72 0.830 -3.796 16.049 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.672 -4.783 14.812 1.00 25.15 N ATOM 0 H GLN B 72 -2.293 -1.700 12.265 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.420 -0.191 14.610 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -3.042 -1.925 14.960 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.136 -3.085 14.009 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.775 -1.870 16.420 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -2.012 -3.079 16.702 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -1.621 -4.800 14.438 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -0.013 -5.522 14.567 1.00 25.15 H new ATOM 2508 N PHE B 73 0.797 -1.461 12.840 1.00 14.56 N ATOM 2509 CA PHE B 73 2.252 -1.754 12.719 1.00 14.60 C ATOM 2510 C PHE B 73 3.041 -0.449 12.839 1.00 15.63 C ATOM 2511 O PHE B 73 4.185 -0.438 13.249 1.00 17.80 O ATOM 2512 CB PHE B 73 2.530 -2.392 11.355 1.00 12.63 C ATOM 2513 CG PHE B 73 3.295 -3.680 11.544 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.690 -3.656 11.649 1.00 16.27 C ATOM 2515 CD2 PHE B 73 2.609 -4.899 11.613 1.00 19.79 C ATOM 2516 CE1 PHE B 73 5.400 -4.850 11.822 1.00 20.44 C ATOM 2517 CE2 PHE B 73 3.319 -6.093 11.786 1.00 18.68 C ATOM 2518 CZ PHE B 73 4.715 -6.068 11.890 1.00 17.88 C ATOM 0 H PHE B 73 0.315 -1.302 11.955 1.00 14.56 H new ATOM 0 HA PHE B 73 2.555 -2.440 13.510 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.592 -2.588 10.836 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.102 -1.706 10.731 1.00 12.63 H new ATOM 0 HD1 PHE B 73 5.219 -2.716 11.597 1.00 16.27 H new ATOM 0 HD2 PHE B 73 1.532 -4.918 11.533 1.00 19.79 H new ATOM 0 HE1 PHE B 73 6.477 -4.831 11.903 1.00 20.44 H new ATOM 0 HE2 PHE B 73 2.790 -7.033 11.839 1.00 18.68 H new ATOM 0 HZ PHE B 73 5.263 -6.989 12.023 1.00 17.88 H new ATOM 2528 N GLY B 74 2.437 0.652 12.482 1.00 13.82 N ATOM 2529 CA GLY B 74 3.148 1.957 12.573 1.00 13.44 C ATOM 2530 C GLY B 74 3.626 2.375 11.181 1.00 10.42 C ATOM 2531 O GLY B 74 4.810 2.452 10.917 1.00 13.62 O ATOM 0 H GLY B 74 1.481 0.703 12.131 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.484 2.717 12.985 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.997 1.874 13.251 1.00 13.44 H new ATOM 2535 N SER B 75 2.715 2.645 10.287 1.00 12.64 N ATOM 2536 CA SER B 75 3.120 3.056 8.913 1.00 12.47 C ATOM 2537 C SER B 75 1.888 3.520 8.134 1.00 12.47 C ATOM 2538 O SER B 75 0.859 2.873 8.137 1.00 11.32 O ATOM 2539 CB SER B 75 3.760 1.869 8.194 1.00 11.21 C ATOM 2540 OG SER B 75 3.672 0.717 9.022 1.00 18.27 O ATOM 0 H SER B 75 1.709 2.599 10.448 1.00 12.64 H new ATOM 0 HA SER B 75 3.838 3.873 8.976 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.255 1.689 7.245 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.803 2.087 7.964 1.00 11.21 H new ATOM 0 HG SER B 75 4.080 -0.047 8.564 1.00 18.27 H new ATOM 2546 N LEU B 76 1.983 4.636 7.464 1.00 12.43 N ATOM 2547 CA LEU B 76 0.817 5.140 6.684 1.00 12.18 C ATOM 2548 C LEU B 76 0.638 4.287 5.425 1.00 12.07 C ATOM 2549 O LEU B 76 1.591 3.779 4.869 1.00 9.82 O ATOM 2550 CB LEU B 76 1.064 6.596 6.283 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.247 7.228 5.812 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.410 8.606 6.458 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.222 7.377 4.289 1.00 7.80 C ATOM 0 H LEU B 76 2.818 5.221 7.423 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.084 5.079 7.295 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.465 7.154 7.129 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.809 6.644 5.488 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.083 6.591 6.101 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.344 9.057 6.123 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.427 8.500 7.543 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.425 9.244 6.169 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.156 7.827 3.952 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.613 8.014 3.999 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.106 6.396 3.829 1.00 7.80 H new ATOM 2565 N MET B 77 -0.576 4.128 4.971 1.00 14.08 N ATOM 2566 CA MET B 77 -0.811 3.308 3.749 1.00 14.12 C ATOM 2567 C MET B 77 -2.122 3.739 3.089 1.00 11.37 C ATOM 2568 O MET B 77 -3.153 3.819 3.727 1.00 11.44 O ATOM 2569 CB MET B 77 -0.894 1.829 4.134 1.00 16.48 C ATOM 2570 CG MET B 77 0.428 1.390 4.767 1.00 24.75 C ATOM 2571 SD MET B 77 0.356 -0.377 5.149 1.00 35.11 S ATOM 2572 CE MET B 77 0.167 -0.215 6.941 1.00 33.86 C ATOM 0 H MET B 77 -1.413 4.530 5.393 1.00 14.08 H new ATOM 0 HA MET B 77 0.012 3.455 3.050 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.715 1.670 4.834 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.105 1.224 3.252 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.255 1.592 4.086 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.616 1.962 5.676 1.00 24.75 H new ATOM 0 HE1 MET B 77 0.101 -1.206 7.391 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.027 0.314 7.351 1.00 33.86 H new ATOM 0 HE3 MET B 77 -0.742 0.345 7.162 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.091 4.019 1.814 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.337 4.447 1.114 1.00 11.62 C ATOM 2584 C ILE B 78 -4.356 3.307 1.113 1.00 11.45 C ATOM 2585 O ILE B 78 -4.021 2.155 0.921 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.024 4.805 -0.335 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.145 6.056 -0.389 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.332 5.058 -1.091 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.843 5.730 -1.124 1.00 13.67 C ATOM 0 H ILE B 78 -1.258 3.970 1.227 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.743 5.313 1.637 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.488 3.978 -0.801 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.672 6.862 -0.899 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.928 6.406 0.620 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.110 5.314 -2.127 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.948 4.159 -1.063 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.870 5.881 -0.621 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.215 6.620 -1.164 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.315 4.937 -0.595 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.070 5.401 -2.138 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.603 3.632 1.290 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.669 2.591 1.264 1.00 14.79 C ATOM 2603 C ASP B 79 -7.462 2.775 -0.028 1.00 15.20 C ATOM 2604 O ASP B 79 -7.873 1.831 -0.673 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.594 2.767 2.470 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.113 1.400 2.919 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.419 0.421 2.697 1.00 21.87 O ATOM 2608 OD2 ASP B 79 -9.197 1.354 3.478 1.00 24.06 O ATOM 0 H ASP B 79 -5.935 4.583 1.453 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.233 1.593 1.307 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.057 3.250 3.286 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.429 3.417 2.209 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.645 4.003 -0.408 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.373 4.328 -1.660 1.00 17.14 C ATOM 2615 C ARG B 80 -8.159 5.812 -1.933 1.00 14.98 C ATOM 2616 O ARG B 80 -9.058 6.622 -1.825 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.865 4.026 -1.502 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.561 4.160 -2.858 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.730 2.776 -3.485 1.00 28.43 C ATOM 2620 NE ARG B 80 -9.709 2.588 -4.555 1.00 33.10 N ATOM 2621 CZ ARG B 80 -9.461 1.394 -5.023 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -10.101 0.357 -4.553 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -8.569 1.237 -5.962 1.00 35.04 N ATOM 0 H ARG B 80 -7.312 4.816 0.110 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.001 3.726 -2.489 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.003 3.019 -1.109 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.311 4.713 -0.783 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.534 4.636 -2.734 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.975 4.800 -3.517 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.621 2.004 -2.723 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.732 2.673 -3.901 1.00 28.43 H new ATOM 0 HE ARG B 80 -9.203 3.394 -4.922 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.798 0.478 -3.818 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -9.904 -0.574 -4.921 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -8.067 2.046 -6.329 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -8.373 0.306 -6.329 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.944 6.153 -2.251 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.565 7.568 -2.509 1.00 11.27 C ATOM 2639 C LEU B 81 -7.735 8.365 -3.103 1.00 15.61 C ATOM 2640 O LEU B 81 -8.242 8.057 -4.162 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.349 7.581 -3.442 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.774 7.786 -4.893 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.525 7.951 -5.762 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.563 6.557 -5.361 1.00 18.72 C ATOM 0 H LEU B 81 -6.175 5.489 -2.346 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.309 8.053 -1.567 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.666 8.376 -3.144 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.804 6.641 -3.348 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.398 8.676 -4.977 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.821 8.098 -6.801 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.956 8.816 -5.421 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.907 7.057 -5.684 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.871 6.695 -6.397 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.934 5.670 -5.284 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.446 6.431 -4.734 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.149 9.403 -2.430 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.262 10.238 -2.958 1.00 12.72 C ATOM 2658 C ARG B 82 -8.654 11.346 -3.814 1.00 13.33 C ATOM 2659 O ARG B 82 -8.100 12.296 -3.307 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.041 10.856 -1.796 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.529 10.533 -1.948 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.311 11.189 -0.809 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.603 11.718 -1.331 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.558 12.051 -0.505 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.386 11.922 0.784 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.686 12.515 -0.967 1.00 16.89 N ATOM 0 H ARG B 82 -7.764 9.709 -1.536 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.944 9.629 -3.551 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.669 10.468 -0.848 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.893 11.936 -1.778 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.894 10.894 -2.909 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.681 9.454 -1.934 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.497 10.464 -0.017 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.726 11.997 -0.371 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.742 11.820 -2.336 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.504 11.560 1.147 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.134 12.183 1.427 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.822 12.617 -1.973 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.433 12.775 -0.323 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.720 11.221 -5.106 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.108 12.266 -5.973 1.00 13.86 C ATOM 2682 C LEU B 83 -8.976 13.520 -6.012 1.00 13.02 C ATOM 2683 O LEU B 83 -10.188 13.467 -5.943 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.942 11.740 -7.394 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.492 11.915 -7.846 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.403 11.662 -9.352 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.030 13.343 -7.541 1.00 10.58 C ATOM 0 H LEU B 83 -9.167 10.448 -5.599 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.134 12.517 -5.553 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.221 10.687 -7.437 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.610 12.274 -8.070 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.854 11.208 -7.315 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.371 11.785 -9.681 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.735 10.647 -9.571 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.039 12.373 -9.879 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.996 13.468 -7.863 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.664 14.052 -8.073 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.101 13.527 -6.469 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.342 14.651 -6.130 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.069 15.936 -6.186 1.00 12.86 C ATOM 2701 C VAL B 84 -8.261 16.889 -7.075 1.00 14.98 C ATOM 2702 O VAL B 84 -7.083 16.682 -7.269 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.162 16.489 -4.763 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.815 15.444 -3.855 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.756 16.808 -4.244 1.00 17.34 C ATOM 0 H VAL B 84 -7.327 14.735 -6.191 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.073 15.817 -6.593 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.762 17.399 -4.765 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.883 15.835 -2.840 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.815 15.216 -4.223 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.213 14.535 -3.854 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.823 17.202 -3.230 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.154 15.899 -4.241 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.289 17.550 -4.891 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.899 17.910 -7.577 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.228 18.907 -8.429 1.00 22.41 C ATOM 2717 C PRO B 85 -7.116 19.622 -7.645 1.00 25.70 C ATOM 2718 O PRO B 85 -7.215 19.815 -6.450 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.359 19.843 -8.858 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.490 19.626 -7.841 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.321 18.183 -7.334 1.00 20.63 C ATOM 0 HA PRO B 85 -7.723 18.478 -9.294 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.028 20.882 -8.859 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.694 19.614 -9.870 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.421 20.340 -7.020 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.466 19.766 -8.305 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.574 18.095 -6.277 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.963 17.488 -7.875 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.046 19.992 -8.305 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.916 20.666 -7.594 1.00 39.94 C ATOM 2731 C ALA B 86 -5.253 22.143 -7.376 1.00 46.96 C ATOM 2732 O ALA B 86 -5.410 22.898 -8.315 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.644 20.551 -8.441 1.00 39.70 C ATOM 0 H ALA B 86 -5.907 19.856 -9.306 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.757 20.187 -6.628 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.818 21.041 -7.926 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.403 19.499 -8.594 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.805 21.031 -9.406 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.365 22.561 -6.145 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.691 23.989 -5.870 1.00 55.12 C ATOM 2741 C LYS B 87 -4.625 24.886 -6.501 1.00 55.82 C ATOM 2742 O LYS B 87 -4.989 25.926 -7.025 1.00 58.05 O ATOM 2743 CB LYS B 87 -5.725 24.222 -4.358 1.00 52.96 C ATOM 2744 CG LYS B 87 -4.313 24.083 -3.786 1.00 55.49 C ATOM 2745 CD LYS B 87 -4.393 23.573 -2.345 1.00 56.64 C ATOM 2746 CE LYS B 87 -3.805 24.621 -1.398 1.00 58.91 C ATOM 2747 NZ LYS B 87 -4.764 25.752 -1.252 1.00 58.16 N ATOM 2748 OXT LYS B 87 -3.463 24.519 -6.449 1.00 57.66 O ATOM 0 H LYS B 87 -5.245 21.976 -5.318 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.665 24.228 -6.296 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.120 25.215 -4.142 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.393 23.503 -3.884 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -3.729 23.393 -4.395 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -3.801 25.045 -3.815 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -5.430 23.367 -2.078 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -3.847 22.634 -2.250 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -3.602 24.174 -0.425 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -2.854 24.985 -1.786 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -4.365 26.465 -0.608 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -4.936 26.183 -2.182 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -5.661 25.398 -0.863 1.00 58.16 H new