USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 910 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: 1 29 SER OG : rot -140:sc= -1.36! USER MOD Set 1.2: 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : 1 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : 1 2 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=-0.1) USER MOD Single : 1 3 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 6 SER OG : rot -34:sc= 0.0788 USER MOD Single : 1 -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ 137:sc= 0.0203 (180deg=0) USER MOD Single : 1 11 THR OG1 : rot -29:sc= 1.07 USER MOD Single : 1 13 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.24) USER MOD Single : 1 15 TYR OH : rot 180:sc= 0 USER MOD Single : 1 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 18 SER OG : rot 180:sc= 0 USER MOD Single : 1 19 ASN : amide:sc=-0.00293 X(o=-0.0029,f=-0.41) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl 156:sc= -1.26 (180deg=-1.59) USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : 1 32 THR OG1 : rot -50:sc= -2.17! USER MOD Single : 1 33 SER OG : rot 180:sc= 0 USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot 128:sc= 0.0133 USER MOD Single : 1 42 SER OG : rot 91:sc= -0.326! USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot 27:sc= -4.02! USER MOD Single : 1 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 57 THR OG1 : rot 180:sc= 0.00464 USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc= 0 USER MOD Single : 1 68 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 74 SER OG : rot -130:sc= 0.334 USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 81 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.2) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : 1 88 SER OG : rot 180:sc= 0 USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 9.122 49.763 9.185 1.00 0.00 N ATOM 2 CA MET 1 -3 9.867 49.921 10.460 1.00 0.00 C ATOM 3 C MET 1 -3 9.135 49.248 11.620 1.00 0.00 C ATOM 4 O MET 1 -3 7.902 49.245 11.669 1.00 0.00 O ATOM 5 CB MET 1 -3 10.074 51.407 10.769 1.00 0.00 C ATOM 6 CG MET 1 -3 11.291 52.010 10.083 1.00 0.00 C ATOM 7 SD MET 1 -3 12.841 51.309 10.681 1.00 0.00 S ATOM 8 CE MET 1 -3 14.036 52.357 9.852 1.00 0.00 C ATOM 0 H1 MET 1 -3 9.128 50.664 8.665 1.00 0.00 H new ATOM 0 H2 MET 1 -3 9.575 49.027 8.607 1.00 0.00 H new ATOM 0 H3 MET 1 -3 8.140 49.487 9.389 1.00 0.00 H new ATOM 0 HA MET 1 -3 10.836 49.436 10.343 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 9.185 51.960 10.465 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 10.175 51.534 11.847 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 11.214 51.849 9.008 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 11.298 53.088 10.244 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 15.044 52.045 10.124 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 13.908 52.271 8.773 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 13.883 53.393 10.154 1.00 0.00 H new ATOM 20 N HIS 1 -2 9.923 48.676 12.557 1.00 0.00 N ATOM 21 CA HIS 1 -2 9.414 47.976 13.765 1.00 0.00 C ATOM 22 C HIS 1 -2 8.576 46.736 13.427 1.00 0.00 C ATOM 23 O HIS 1 -2 7.773 46.750 12.490 1.00 0.00 O ATOM 24 CB HIS 1 -2 8.603 48.917 14.671 1.00 0.00 C ATOM 25 CG HIS 1 -2 9.442 49.931 15.386 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 9.614 51.222 14.933 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 10.155 49.839 16.535 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 10.397 51.880 15.770 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 10.737 51.064 16.749 1.00 0.00 N ATOM 0 H HIS 1 -2 10.941 48.686 12.498 1.00 0.00 H new ATOM 0 HA HIS 1 -2 10.301 47.643 14.304 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 7.857 49.435 14.068 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 8.061 48.322 15.406 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 10.248 48.966 17.164 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 10.706 52.910 15.670 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 11.336 51.305 17.539 1.00 0.00 H new ATOM 38 N HIS 1 -1 8.779 45.673 14.215 1.00 0.00 N ATOM 39 CA HIS 1 -1 8.058 44.411 14.038 1.00 0.00 C ATOM 40 C HIS 1 -1 7.082 44.173 15.187 1.00 0.00 C ATOM 41 O HIS 1 -1 7.362 44.537 16.333 1.00 0.00 O ATOM 42 CB HIS 1 -1 9.041 43.242 13.952 1.00 0.00 C ATOM 43 CG HIS 1 -1 9.693 43.098 12.614 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 9.253 42.211 11.655 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 10.763 43.732 12.075 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 10.022 42.304 10.585 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 10.944 43.218 10.814 1.00 0.00 N ATOM 0 H HIS 1 -1 9.444 45.665 14.988 1.00 0.00 H new ATOM 0 HA HIS 1 -1 7.494 44.477 13.108 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 9.813 43.373 14.710 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 8.514 42.318 14.190 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 11.361 44.497 12.548 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 9.914 41.729 9.677 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 11.675 43.499 10.160 1.00 0.00 H new ATOM 56 N HIS 1 0 5.942 43.556 14.863 1.00 0.00 N ATOM 57 CA HIS 1 0 4.912 43.248 15.855 1.00 0.00 C ATOM 58 C HIS 1 0 4.873 41.750 16.143 1.00 0.00 C ATOM 59 O HIS 1 0 5.089 40.933 15.242 1.00 0.00 O ATOM 60 CB HIS 1 0 3.544 43.730 15.371 1.00 0.00 C ATOM 61 CG HIS 1 0 3.355 45.209 15.500 1.00 0.00 C ATOM 62 ND1 HIS 1 0 2.666 45.792 16.544 1.00 0.00 N ATOM 63 CD2 HIS 1 0 3.774 46.229 14.714 1.00 0.00 C ATOM 64 CE1 HIS 1 0 2.670 47.104 16.394 1.00 0.00 C ATOM 65 NE2 HIS 1 0 3.335 47.395 15.292 1.00 0.00 N ATOM 0 H HIS 1 0 5.710 43.259 13.915 1.00 0.00 H new ATOM 0 HA HIS 1 0 5.160 43.771 16.779 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 3.415 43.444 14.327 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 2.766 43.221 15.939 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 4.347 46.142 13.802 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 2.208 47.818 17.060 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 3.497 48.334 14.928 1.00 0.00 H new ATOM 74 N HIS 1 1 4.592 41.402 17.404 1.00 0.00 N ATOM 75 CA HIS 1 1 4.533 40.004 17.833 1.00 0.00 C ATOM 76 C HIS 1 1 3.093 39.482 17.831 1.00 0.00 C ATOM 77 O HIS 1 1 2.260 39.912 18.640 1.00 0.00 O ATOM 78 CB HIS 1 1 5.159 39.855 19.225 1.00 0.00 C ATOM 79 CG HIS 1 1 5.803 38.523 19.460 1.00 0.00 C ATOM 80 ND1 HIS 1 1 5.194 37.506 20.167 1.00 0.00 N ATOM 81 CD2 HIS 1 1 7.011 38.043 19.079 1.00 0.00 C ATOM 82 CE1 HIS 1 1 6.001 36.460 20.211 1.00 0.00 C ATOM 83 NE2 HIS 1 1 7.108 36.760 19.558 1.00 0.00 N ATOM 0 H HIS 1 1 4.401 42.075 18.147 1.00 0.00 H new ATOM 0 HA HIS 1 1 5.103 39.405 17.123 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 5.905 40.638 19.363 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 4.388 40.013 19.979 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 7.758 38.571 18.505 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 5.790 35.520 20.699 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 7.907 36.139 19.430 1.00 0.00 H new ATOM 92 N HIS 1 2 2.812 38.561 16.899 1.00 0.00 N ATOM 93 CA HIS 1 2 1.485 37.948 16.762 1.00 0.00 C ATOM 94 C HIS 1 2 1.612 36.487 16.346 1.00 0.00 C ATOM 95 O HIS 1 2 2.375 36.163 15.431 1.00 0.00 O ATOM 96 CB HIS 1 2 0.638 38.704 15.732 1.00 0.00 C ATOM 97 CG HIS 1 2 0.168 40.045 16.209 1.00 0.00 C ATOM 98 ND1 HIS 1 2 0.853 41.216 15.960 1.00 0.00 N ATOM 99 CD2 HIS 1 2 -0.927 40.396 16.924 1.00 0.00 C ATOM 100 CE1 HIS 1 2 0.200 42.229 16.504 1.00 0.00 C ATOM 101 NE2 HIS 1 2 -0.882 41.757 17.093 1.00 0.00 N ATOM 0 H HIS 1 2 3.495 38.222 16.222 1.00 0.00 H new ATOM 0 HA HIS 1 2 0.990 38.002 17.732 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 1.221 38.836 14.821 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 -0.228 38.097 15.471 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 -1.693 39.729 17.292 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 0.501 43.266 16.472 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 -1.574 42.314 17.594 1.00 0.00 H new ATOM 110 N HIS 1 3 0.862 35.610 17.025 1.00 0.00 N ATOM 111 CA HIS 1 3 0.888 34.175 16.731 1.00 0.00 C ATOM 112 C HIS 1 3 -0.519 33.604 16.599 1.00 0.00 C ATOM 113 O HIS 1 3 -1.437 34.007 17.319 1.00 0.00 O ATOM 114 CB HIS 1 3 1.649 33.418 17.822 1.00 0.00 C ATOM 115 CG HIS 1 3 3.134 33.576 17.739 1.00 0.00 C ATOM 116 ND1 HIS 1 3 3.950 32.680 17.081 1.00 0.00 N ATOM 117 CD2 HIS 1 3 3.953 34.533 18.235 1.00 0.00 C ATOM 118 CE1 HIS 1 3 5.206 33.077 17.177 1.00 0.00 C ATOM 119 NE2 HIS 1 3 5.235 34.199 17.871 1.00 0.00 N ATOM 0 H HIS 1 3 0.230 35.871 17.782 1.00 0.00 H new ATOM 0 HA HIS 1 3 1.400 34.048 15.777 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 1.309 33.766 18.798 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 1.401 32.359 17.757 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 3.654 35.397 18.809 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 6.063 32.570 16.759 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 6.074 34.732 18.100 1.00 0.00 H new ATOM 128 N SER 1 4 -0.669 32.661 15.661 1.00 0.00 N ATOM 129 CA SER 1 4 -1.947 31.988 15.408 1.00 0.00 C ATOM 130 C SER 1 4 -1.740 30.476 15.287 1.00 0.00 C ATOM 131 O SER 1 4 -2.467 29.694 15.906 1.00 0.00 O ATOM 132 CB SER 1 4 -2.607 32.545 14.139 1.00 0.00 C ATOM 133 OG SER 1 4 -1.725 32.481 13.030 1.00 0.00 O ATOM 0 H SER 1 4 0.090 32.344 15.058 1.00 0.00 H new ATOM 0 HA SER 1 4 -2.611 32.179 16.251 1.00 0.00 H new ATOM 0 HB2 SER 1 4 -3.513 31.980 13.919 1.00 0.00 H new ATOM 0 HB3 SER 1 4 -2.909 33.579 14.307 1.00 0.00 H new ATOM 0 HG SER 1 4 -2.172 32.841 12.235 1.00 0.00 H new ATOM 139 N THR 1 5 -0.743 30.081 14.484 1.00 0.00 N ATOM 140 CA THR 1 5 -0.408 28.669 14.277 1.00 0.00 C ATOM 141 C THR 1 5 1.081 28.427 14.576 1.00 0.00 C ATOM 142 O THR 1 5 1.954 28.826 13.799 1.00 0.00 O ATOM 143 CB THR 1 5 -0.791 28.176 12.842 1.00 0.00 C ATOM 144 OG1 THR 1 5 -0.350 26.825 12.642 1.00 0.00 O ATOM 145 CG2 THR 1 5 -0.220 29.065 11.731 1.00 0.00 C ATOM 0 H THR 1 5 -0.150 30.728 13.963 1.00 0.00 H new ATOM 0 HA THR 1 5 -1.002 28.080 14.975 1.00 0.00 H new ATOM 0 HB THR 1 5 -1.878 28.231 12.780 1.00 0.00 H new ATOM 0 HG1 THR 1 5 -0.598 26.530 11.741 1.00 0.00 H new ATOM 0 HG21 THR 1 5 -0.520 28.671 10.760 1.00 0.00 H new ATOM 0 HG22 THR 1 5 -0.601 30.080 11.845 1.00 0.00 H new ATOM 0 HG23 THR 1 5 0.868 29.077 11.797 1.00 0.00 H new ATOM 153 N SER 1 6 1.350 27.781 15.714 1.00 0.00 N ATOM 154 CA SER 1 6 2.721 27.494 16.142 1.00 0.00 C ATOM 155 C SER 1 6 3.107 26.034 15.897 1.00 0.00 C ATOM 156 O SER 1 6 4.292 25.691 15.924 1.00 0.00 O ATOM 157 CB SER 1 6 2.891 27.841 17.624 1.00 0.00 C ATOM 158 OG SER 1 6 4.257 27.835 18.004 1.00 0.00 O ATOM 0 H SER 1 6 0.633 27.446 16.357 1.00 0.00 H new ATOM 0 HA SER 1 6 3.388 28.113 15.542 1.00 0.00 H new ATOM 0 HB2 SER 1 6 2.462 28.823 17.821 1.00 0.00 H new ATOM 0 HB3 SER 1 6 2.339 27.124 18.233 1.00 0.00 H new ATOM 0 HG SER 1 6 4.735 27.148 17.494 1.00 0.00 H new ATOM 164 N VAL 1 7 2.104 25.189 15.651 1.00 0.00 N ATOM 165 CA VAL 1 7 2.325 23.758 15.404 1.00 0.00 C ATOM 166 C VAL 1 7 2.400 23.486 13.894 1.00 0.00 C ATOM 167 O VAL 1 7 1.390 23.570 13.186 1.00 0.00 O ATOM 168 CB VAL 1 7 1.218 22.867 16.058 1.00 0.00 C ATOM 169 CG1 VAL 1 7 1.596 21.387 16.021 1.00 0.00 C ATOM 170 CG2 VAL 1 7 0.942 23.291 17.499 1.00 0.00 C ATOM 0 H VAL 1 7 1.124 25.471 15.617 1.00 0.00 H new ATOM 0 HA VAL 1 7 3.274 23.491 15.869 1.00 0.00 H new ATOM 0 HB VAL 1 7 0.311 23.009 15.471 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 0.804 20.798 16.484 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 1.726 21.071 14.986 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 2.527 21.236 16.567 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 0.168 22.652 17.924 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 1.855 23.196 18.087 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 0.606 24.328 17.515 1.00 0.00 H new ATOM 180 N ASP 1 8 3.610 23.169 13.422 1.00 0.00 N ATOM 181 CA ASP 1 8 3.848 22.874 12.006 1.00 0.00 C ATOM 182 C ASP 1 8 4.444 21.476 11.835 1.00 0.00 C ATOM 183 O ASP 1 8 3.977 20.698 11.000 1.00 0.00 O ATOM 184 CB ASP 1 8 4.776 23.924 11.386 1.00 0.00 C ATOM 185 CG ASP 1 8 4.077 25.247 11.139 1.00 0.00 C ATOM 186 OD1 ASP 1 8 3.661 25.493 9.986 1.00 0.00 O ATOM 187 OD2 ASP 1 8 3.944 26.037 12.097 1.00 0.00 O ATOM 0 H ASP 1 8 4.445 23.110 14.005 1.00 0.00 H new ATOM 0 HA ASP 1 8 2.889 22.906 11.489 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 5.628 24.085 12.046 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 5.170 23.544 10.443 1.00 0.00 H new ATOM 192 N LEU 1 9 5.469 21.165 12.645 1.00 0.00 N ATOM 193 CA LEU 1 9 6.141 19.862 12.598 1.00 0.00 C ATOM 194 C LEU 1 9 5.453 18.853 13.519 1.00 0.00 C ATOM 195 O LEU 1 9 5.119 19.176 14.664 1.00 0.00 O ATOM 196 CB LEU 1 9 7.636 19.997 12.960 1.00 0.00 C ATOM 197 CG LEU 1 9 7.970 20.777 14.246 1.00 0.00 C ATOM 198 CD1 LEU 1 9 8.049 19.841 15.444 1.00 0.00 C ATOM 199 CD2 LEU 1 9 9.275 21.538 14.077 1.00 0.00 C ATOM 0 H LEU 1 9 5.850 21.804 13.343 1.00 0.00 H new ATOM 0 HA LEU 1 9 6.070 19.490 11.576 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 8.056 18.995 13.051 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 8.145 20.481 12.127 1.00 0.00 H new ATOM 0 HG LEU 1 9 7.169 21.493 14.429 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 8.286 20.415 16.340 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 7.091 19.339 15.578 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 8.827 19.097 15.274 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 9.499 22.085 14.993 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 10.081 20.835 13.868 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 9.182 22.241 13.249 1.00 0.00 H new ATOM 211 N GLY 1 10 5.246 17.640 13.003 1.00 0.00 N ATOM 212 CA GLY 1 10 4.601 16.591 13.775 1.00 0.00 C ATOM 213 C GLY 1 10 5.068 15.209 13.369 1.00 0.00 C ATOM 214 O GLY 1 10 4.324 14.470 12.718 1.00 0.00 O ATOM 0 H GLY 1 10 5.516 17.366 12.058 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 4.806 16.745 14.835 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 3.521 16.660 13.646 1.00 0.00 H new ATOM 218 N THR 1 11 6.307 14.867 13.746 1.00 0.00 N ATOM 219 CA THR 1 11 6.883 13.556 13.417 1.00 0.00 C ATOM 220 C THR 1 11 7.786 13.016 14.550 1.00 0.00 C ATOM 221 O THR 1 11 8.450 11.987 14.383 1.00 0.00 O ATOM 222 CB THR 1 11 7.661 13.589 12.058 1.00 0.00 C ATOM 223 OG1 THR 1 11 8.190 12.291 11.754 1.00 0.00 O ATOM 224 CG2 THR 1 11 8.801 14.614 12.050 1.00 0.00 C ATOM 0 H THR 1 11 6.928 15.477 14.277 1.00 0.00 H new ATOM 0 HA THR 1 11 6.044 12.869 13.309 1.00 0.00 H new ATOM 0 HB THR 1 11 6.941 13.890 11.297 1.00 0.00 H new ATOM 0 HG1 THR 1 11 8.367 11.806 12.587 1.00 0.00 H new ATOM 0 HG21 THR 1 11 9.304 14.592 11.083 1.00 0.00 H new ATOM 0 HG22 THR 1 11 8.396 15.611 12.225 1.00 0.00 H new ATOM 0 HG23 THR 1 11 9.515 14.370 12.836 1.00 0.00 H new ATOM 232 N GLU 1 12 7.780 13.702 15.699 1.00 0.00 N ATOM 233 CA GLU 1 12 8.603 13.317 16.843 1.00 0.00 C ATOM 234 C GLU 1 12 7.777 12.610 17.924 1.00 0.00 C ATOM 235 O GLU 1 12 8.058 11.465 18.288 1.00 0.00 O ATOM 236 CB GLU 1 12 9.300 14.580 17.400 1.00 0.00 C ATOM 237 CG GLU 1 12 10.337 14.322 18.489 1.00 0.00 C ATOM 238 CD GLU 1 12 11.677 13.863 17.942 1.00 0.00 C ATOM 239 OE1 GLU 1 12 12.488 14.731 17.554 1.00 0.00 O ATOM 240 OE2 GLU 1 12 11.916 12.638 17.905 1.00 0.00 O ATOM 0 H GLU 1 12 7.209 14.532 15.858 1.00 0.00 H new ATOM 0 HA GLU 1 12 9.357 12.601 16.516 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 9.785 15.102 16.575 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 8.538 15.251 17.797 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 10.481 15.234 19.068 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 9.954 13.567 19.175 1.00 0.00 H new ATOM 247 N ASN 1 13 6.770 13.317 18.420 1.00 0.00 N ATOM 248 CA ASN 1 13 5.888 12.830 19.485 1.00 0.00 C ATOM 249 C ASN 1 13 4.799 11.862 18.987 1.00 0.00 C ATOM 250 O ASN 1 13 4.491 10.884 19.673 1.00 0.00 O ATOM 251 CB ASN 1 13 5.249 14.034 20.182 1.00 0.00 C ATOM 252 CG ASN 1 13 4.848 13.775 21.597 1.00 0.00 C ATOM 253 OD1 ASN 1 13 4.298 12.728 21.945 1.00 0.00 O ATOM 254 ND2 ASN 1 13 5.141 14.750 22.422 1.00 0.00 N ATOM 0 H ASN 1 13 6.536 14.255 18.094 1.00 0.00 H new ATOM 0 HA ASN 1 13 6.500 12.256 20.181 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 5.951 14.868 20.161 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 4.370 14.343 19.617 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 4.913 14.666 23.413 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 5.597 15.593 22.074 1.00 0.00 H new ATOM 261 N LEU 1 14 4.227 12.131 17.803 1.00 0.00 N ATOM 262 CA LEU 1 14 3.158 11.278 17.253 1.00 0.00 C ATOM 263 C LEU 1 14 3.703 10.128 16.408 1.00 0.00 C ATOM 264 O LEU 1 14 3.282 8.978 16.569 1.00 0.00 O ATOM 265 CB LEU 1 14 2.125 12.102 16.454 1.00 0.00 C ATOM 266 CG LEU 1 14 2.690 13.146 15.478 1.00 0.00 C ATOM 267 CD1 LEU 1 14 1.893 13.155 14.183 1.00 0.00 C ATOM 268 CD2 LEU 1 14 2.673 14.527 16.117 1.00 0.00 C ATOM 0 H LEU 1 14 4.482 12.923 17.213 1.00 0.00 H new ATOM 0 HA LEU 1 14 2.650 10.836 18.110 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 1.499 11.410 15.890 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 1.475 12.614 17.163 1.00 0.00 H new ATOM 0 HG LEU 1 14 3.721 12.879 15.246 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 2.309 13.901 13.505 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 1.946 12.171 13.717 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 0.853 13.400 14.398 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 3.076 15.258 15.415 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 1.648 14.797 16.373 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 3.283 14.517 17.021 1.00 0.00 H new ATOM 280 N TYR 1 15 4.647 10.447 15.531 1.00 0.00 N ATOM 281 CA TYR 1 15 5.273 9.452 14.644 1.00 0.00 C ATOM 282 C TYR 1 15 6.483 8.803 15.313 1.00 0.00 C ATOM 283 O TYR 1 15 7.322 9.497 15.895 1.00 0.00 O ATOM 284 CB TYR 1 15 5.706 10.094 13.326 1.00 0.00 C ATOM 285 CG TYR 1 15 4.710 9.913 12.203 1.00 0.00 C ATOM 286 CD1 TYR 1 15 4.769 8.801 11.372 1.00 0.00 C ATOM 287 CD2 TYR 1 15 3.710 10.848 11.978 1.00 0.00 C ATOM 288 CE1 TYR 1 15 3.856 8.627 10.348 1.00 0.00 C ATOM 289 CE2 TYR 1 15 2.794 10.682 10.957 1.00 0.00 C ATOM 290 CZ TYR 1 15 2.871 9.570 10.146 1.00 0.00 C ATOM 291 OH TYR 1 15 1.959 9.399 9.129 1.00 0.00 O ATOM 0 H TYR 1 15 5.004 11.395 15.408 1.00 0.00 H new ATOM 0 HA TYR 1 15 4.528 8.683 14.440 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 5.868 11.160 13.488 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 6.663 9.669 13.023 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 5.540 8.061 11.528 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 3.646 11.720 12.612 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 3.914 7.757 9.710 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 2.022 11.420 10.795 1.00 0.00 H new ATOM 0 HH TYR 1 15 1.331 10.152 9.123 1.00 0.00 H new ATOM 301 N PHE 1 16 6.548 7.468 15.244 1.00 0.00 N ATOM 302 CA PHE 1 16 7.644 6.698 15.821 1.00 0.00 C ATOM 303 C PHE 1 16 7.961 5.472 14.960 1.00 0.00 C ATOM 304 O PHE 1 16 9.130 5.182 14.696 1.00 0.00 O ATOM 305 CB PHE 1 16 7.308 6.270 17.258 1.00 0.00 C ATOM 306 CG PHE 1 16 8.495 6.263 18.180 1.00 0.00 C ATOM 307 CD1 PHE 1 16 8.831 7.396 18.907 1.00 0.00 C ATOM 308 CD2 PHE 1 16 9.280 5.129 18.316 1.00 0.00 C ATOM 309 CE1 PHE 1 16 9.925 7.396 19.751 1.00 0.00 C ATOM 310 CE2 PHE 1 16 10.375 5.124 19.159 1.00 0.00 C ATOM 311 CZ PHE 1 16 10.698 6.259 19.877 1.00 0.00 C ATOM 0 H PHE 1 16 5.839 6.896 14.785 1.00 0.00 H new ATOM 0 HA PHE 1 16 8.527 7.336 15.847 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 6.551 6.943 17.660 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 6.869 5.272 17.237 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 8.230 8.289 18.812 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 9.033 4.239 17.757 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 10.175 8.285 20.312 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 10.978 4.233 19.256 1.00 0.00 H new ATOM 0 HZ PHE 1 16 11.554 6.257 20.536 1.00 0.00 H new ATOM 321 N GLN 1 17 6.906 4.776 14.505 1.00 0.00 N ATOM 322 CA GLN 1 17 7.048 3.572 13.671 1.00 0.00 C ATOM 323 C GLN 1 17 7.107 3.924 12.182 1.00 0.00 C ATOM 324 O GLN 1 17 6.545 4.936 11.754 1.00 0.00 O ATOM 325 CB GLN 1 17 5.886 2.607 13.927 1.00 0.00 C ATOM 326 CG GLN 1 17 5.949 1.909 15.278 1.00 0.00 C ATOM 327 CD GLN 1 17 4.833 0.901 15.467 1.00 0.00 C ATOM 328 OE1 GLN 1 17 4.976 -0.273 15.122 1.00 0.00 O ATOM 329 NE2 GLN 1 17 3.712 1.353 16.017 1.00 0.00 N ATOM 0 H GLN 1 17 5.938 5.030 14.703 1.00 0.00 H new ATOM 0 HA GLN 1 17 7.987 3.091 13.945 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 4.948 3.157 13.857 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 5.873 1.853 13.140 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 6.910 1.404 15.377 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 5.897 2.655 16.071 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 3.636 2.333 16.288 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 2.927 0.720 16.168 1.00 0.00 H new ATOM 338 N SER 1 18 7.800 3.076 11.407 1.00 0.00 N ATOM 339 CA SER 1 18 7.951 3.269 9.959 1.00 0.00 C ATOM 340 C SER 1 18 6.811 2.600 9.181 1.00 0.00 C ATOM 341 O SER 1 18 6.176 1.664 9.679 1.00 0.00 O ATOM 342 CB SER 1 18 9.298 2.713 9.492 1.00 0.00 C ATOM 343 OG SER 1 18 10.375 3.419 10.085 1.00 0.00 O ATOM 0 H SER 1 18 8.268 2.243 11.764 1.00 0.00 H new ATOM 0 HA SER 1 18 7.912 4.340 9.759 1.00 0.00 H new ATOM 0 HB2 SER 1 18 9.367 1.656 9.748 1.00 0.00 H new ATOM 0 HB3 SER 1 18 9.367 2.783 8.406 1.00 0.00 H new ATOM 0 HG SER 1 18 11.224 3.043 9.772 1.00 0.00 H new ATOM 349 N ASN 1 19 6.566 3.094 7.962 1.00 0.00 N ATOM 350 CA ASN 1 19 5.505 2.565 7.095 1.00 0.00 C ATOM 351 C ASN 1 19 6.053 1.621 6.014 1.00 0.00 C ATOM 352 O ASN 1 19 5.283 0.902 5.371 1.00 0.00 O ATOM 353 CB ASN 1 19 4.743 3.721 6.434 1.00 0.00 C ATOM 354 CG ASN 1 19 3.826 4.445 7.367 1.00 0.00 C ATOM 355 OD1 ASN 1 19 3.138 3.855 8.202 1.00 0.00 O ATOM 356 ND2 ASN 1 19 3.823 5.750 7.219 1.00 0.00 N ATOM 0 H ASN 1 19 7.092 3.865 7.551 1.00 0.00 H new ATOM 0 HA ASN 1 19 4.830 1.987 7.726 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 5.461 4.430 6.021 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 4.163 3.331 5.597 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 3.230 6.329 7.813 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 4.414 6.184 6.510 1.00 0.00 H new ATOM 363 N ALA 1 20 7.384 1.620 5.832 1.00 0.00 N ATOM 364 CA ALA 1 20 8.047 0.779 4.827 1.00 0.00 C ATOM 365 C ALA 1 20 8.203 -0.666 5.303 1.00 0.00 C ATOM 366 O ALA 1 20 8.363 -0.921 6.500 1.00 0.00 O ATOM 367 CB ALA 1 20 9.406 1.363 4.469 1.00 0.00 C ATOM 0 H ALA 1 20 8.025 2.199 6.374 1.00 0.00 H new ATOM 0 HA ALA 1 20 7.413 0.766 3.940 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 9.888 0.731 3.723 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 9.276 2.367 4.065 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 10.029 1.410 5.362 1.00 0.00 H new ATOM 373 N GLY 1 21 8.147 -1.598 4.346 1.00 0.00 N ATOM 374 CA GLY 1 21 8.277 -3.019 4.650 1.00 0.00 C ATOM 375 C GLY 1 21 7.216 -3.868 3.977 1.00 0.00 C ATOM 376 O GLY 1 21 7.359 -5.092 3.894 1.00 0.00 O ATOM 0 H GLY 1 21 8.013 -1.390 3.357 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 9.263 -3.363 4.337 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 8.218 -3.161 5.729 1.00 0.00 H new ATOM 380 N LYS 1 22 6.157 -3.215 3.496 1.00 0.00 N ATOM 381 CA LYS 1 22 5.058 -3.906 2.815 1.00 0.00 C ATOM 382 C LYS 1 22 5.193 -3.775 1.289 1.00 0.00 C ATOM 383 O LYS 1 22 6.069 -3.056 0.798 1.00 0.00 O ATOM 384 CB LYS 1 22 3.691 -3.400 3.329 1.00 0.00 C ATOM 385 CG LYS 1 22 3.361 -1.951 2.991 1.00 0.00 C ATOM 386 CD LYS 1 22 2.671 -1.253 4.154 1.00 0.00 C ATOM 387 CE LYS 1 22 2.372 0.203 3.840 1.00 0.00 C ATOM 388 NZ LYS 1 22 1.725 0.897 4.989 1.00 0.00 N ATOM 0 H LYS 1 22 6.036 -2.205 3.565 1.00 0.00 H new ATOM 0 HA LYS 1 22 5.114 -4.969 3.050 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 2.909 -4.038 2.918 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 3.663 -3.518 4.412 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 4.277 -1.418 2.736 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 2.718 -1.918 2.112 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 1.742 -1.772 4.390 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 3.303 -1.312 5.040 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 3.298 0.716 3.581 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 1.721 0.260 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 1.537 1.888 4.735 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 0.829 0.423 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 2.357 0.865 5.814 1.00 0.00 H new ATOM 402 N MET 1 23 4.322 -4.475 0.554 1.00 0.00 N ATOM 403 CA MET 1 23 4.330 -4.474 -0.881 1.00 0.00 C ATOM 404 C MET 1 23 2.987 -4.016 -1.439 1.00 0.00 C ATOM 405 O MET 1 23 1.939 -4.174 -0.812 1.00 0.00 O ATOM 406 CB MET 1 23 4.676 -5.871 -1.383 1.00 0.00 C ATOM 407 CG MET 1 23 6.154 -6.061 -1.686 1.00 0.00 C ATOM 408 SD MET 1 23 6.501 -7.610 -2.542 1.00 0.00 S ATOM 409 CE MET 1 23 6.739 -7.015 -4.215 1.00 0.00 C ATOM 0 H MET 1 23 3.591 -5.059 0.960 1.00 0.00 H new ATOM 0 HA MET 1 23 5.084 -3.768 -1.229 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.370 -6.603 -0.635 1.00 0.00 H new ATOM 0 HB3 MET 1 23 4.100 -6.077 -2.285 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.505 -5.228 -2.296 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.718 -6.033 -0.753 1.00 0.00 H new ATOM 0 HE1 MET 1 23 7.356 -7.723 -4.769 1.00 0.00 H new ATOM 0 HE2 MET 1 23 5.771 -6.915 -4.707 1.00 0.00 H new ATOM 0 HE3 MET 1 23 7.235 -6.045 -4.189 1.00 0.00 H new ATOM 419 N PHE 1 24 3.078 -3.444 -2.622 1.00 0.00 N ATOM 420 CA PHE 1 24 1.962 -2.908 -3.396 1.00 0.00 C ATOM 421 C PHE 1 24 1.694 -3.868 -4.563 1.00 0.00 C ATOM 422 O PHE 1 24 2.490 -3.958 -5.507 1.00 0.00 O ATOM 423 CB PHE 1 24 2.344 -1.501 -3.923 1.00 0.00 C ATOM 424 CG PHE 1 24 1.227 -0.638 -4.503 1.00 0.00 C ATOM 425 CD1 PHE 1 24 1.411 0.734 -4.602 1.00 0.00 C ATOM 426 CD2 PHE 1 24 0.020 -1.171 -4.951 1.00 0.00 C ATOM 427 CE1 PHE 1 24 0.429 1.550 -5.129 1.00 0.00 C ATOM 428 CE2 PHE 1 24 -0.963 -0.355 -5.476 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.758 1.006 -5.566 1.00 0.00 C ATOM 0 H PHE 1 24 3.973 -3.332 -3.098 1.00 0.00 H new ATOM 0 HA PHE 1 24 1.065 -2.817 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.805 -0.949 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.106 -1.626 -4.692 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 2.338 1.171 -4.261 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 -0.149 -2.236 -4.887 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 0.592 2.615 -5.198 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 -1.894 -0.783 -5.817 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.526 1.643 -5.978 1.00 0.00 H new ATOM 439 N ILE 1 25 0.586 -4.591 -4.473 1.00 0.00 N ATOM 440 CA ILE 1 25 0.183 -5.558 -5.471 1.00 0.00 C ATOM 441 C ILE 1 25 -0.813 -4.930 -6.435 1.00 0.00 C ATOM 442 O ILE 1 25 -1.881 -4.466 -6.030 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.442 -6.795 -4.803 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.071 -6.982 -3.346 1.00 0.00 C ATOM 445 CG2 ILE 1 25 -0.230 -8.053 -5.654 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.540 -7.379 -3.189 1.00 0.00 C ATOM 0 H ILE 1 25 -0.064 -4.517 -3.691 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.068 -5.871 -6.026 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.517 -6.627 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 -0.091 -6.050 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.542 -7.743 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.683 -8.910 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.694 -7.914 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 0.838 -8.230 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 1.779 -7.479 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 1.716 -8.330 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.174 -6.611 -3.633 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.433 -4.916 -7.701 1.00 0.00 N ATOM 459 CA GLY 1 26 -1.257 -4.334 -8.735 1.00 0.00 C ATOM 460 C GLY 1 26 -1.799 -5.317 -9.743 1.00 0.00 C ATOM 461 O GLY 1 26 -1.309 -6.434 -9.862 1.00 0.00 O ATOM 0 H GLY 1 26 0.449 -5.305 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -2.095 -3.819 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.674 -3.579 -9.262 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.865 -4.885 -10.430 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.501 -5.675 -11.483 1.00 0.00 C ATOM 467 C GLY 1 27 -4.266 -6.903 -11.007 1.00 0.00 C ATOM 468 O GLY 1 27 -4.505 -7.812 -11.807 1.00 0.00 O ATOM 0 H GLY 1 27 -3.307 -3.980 -10.269 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -4.187 -5.031 -12.033 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.733 -5.996 -12.187 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.676 -6.928 -9.723 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.413 -8.061 -9.145 1.00 0.00 C ATOM 474 C LEU 1 28 -6.683 -8.377 -9.958 1.00 0.00 C ATOM 475 O LEU 1 28 -7.112 -7.566 -10.786 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.808 -7.757 -7.685 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.675 -7.338 -6.734 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.256 -6.664 -5.504 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.834 -8.536 -6.314 1.00 0.00 C ATOM 0 H LEU 1 28 -4.505 -6.168 -9.065 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.754 -8.929 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.556 -6.964 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.289 -8.644 -7.271 1.00 0.00 H new ATOM 0 HG LEU 1 28 -4.030 -6.638 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.448 -6.370 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.818 -5.780 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.920 -7.358 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -3.042 -8.207 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.465 -9.262 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.392 -8.998 -7.197 1.00 0.00 H new ATOM 491 N SER 1 29 -7.292 -9.534 -9.691 1.00 0.00 N ATOM 492 CA SER 1 29 -8.476 -9.972 -10.384 1.00 0.00 C ATOM 493 C SER 1 29 -9.714 -9.705 -9.531 1.00 0.00 C ATOM 494 O SER 1 29 -9.620 -9.299 -8.367 1.00 0.00 O ATOM 495 CB SER 1 29 -8.352 -11.464 -10.719 1.00 0.00 C ATOM 496 OG SER 1 29 -9.260 -11.836 -11.738 1.00 0.00 O ATOM 0 H SER 1 29 -6.965 -10.188 -8.980 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.580 -9.413 -11.314 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.333 -11.685 -11.038 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.542 -12.057 -9.825 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.641 -12.715 -11.532 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.860 -9.973 -10.128 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.174 -9.791 -9.524 1.00 0.00 C ATOM 504 C TRP 1 30 -12.439 -10.835 -8.428 1.00 0.00 C ATOM 505 O TRP 1 30 -13.336 -10.674 -7.596 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.236 -9.913 -10.637 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.292 -11.270 -11.316 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.237 -11.962 -11.839 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.450 -12.093 -11.539 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.654 -13.158 -12.343 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -14.004 -13.261 -12.185 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.815 -11.965 -11.256 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -14.860 -14.288 -12.551 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.671 -12.989 -11.625 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.189 -14.138 -12.266 1.00 0.00 C ATOM 0 H TRP 1 30 -10.907 -10.336 -11.080 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.219 -8.808 -9.054 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.215 -9.695 -10.211 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -13.040 -9.152 -11.392 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.216 -11.611 -11.852 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -12.052 -13.863 -12.770 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.193 -11.084 -10.759 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.490 -15.175 -13.044 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.727 -12.901 -11.415 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -16.881 -14.921 -12.540 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.630 -11.895 -8.461 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.733 -13.011 -7.531 1.00 0.00 C ATOM 528 C GLN 1 31 -10.757 -12.885 -6.371 1.00 0.00 C ATOM 529 O GLN 1 31 -10.991 -13.437 -5.291 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.442 -14.299 -8.290 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.535 -14.697 -9.269 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.272 -16.040 -9.912 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -11.691 -16.126 -10.994 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -12.690 -17.100 -9.236 1.00 0.00 N ATOM 0 H GLN 1 31 -10.878 -12.000 -9.143 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.740 -13.015 -7.114 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.504 -14.185 -8.834 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.298 -15.107 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.492 -14.728 -8.748 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.619 -13.936 -10.045 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.167 -16.979 -8.343 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -12.535 -18.037 -9.609 1.00 0.00 H new ATOM 543 N THR 1 32 -9.673 -12.146 -6.603 1.00 0.00 N ATOM 544 CA THR 1 32 -8.629 -11.941 -5.602 1.00 0.00 C ATOM 545 C THR 1 32 -9.089 -11.038 -4.436 1.00 0.00 C ATOM 546 O THR 1 32 -9.355 -9.845 -4.615 1.00 0.00 O ATOM 547 CB THR 1 32 -7.380 -11.347 -6.263 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.283 -11.781 -7.627 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.110 -11.749 -5.525 1.00 0.00 C ATOM 0 H THR 1 32 -9.495 -11.673 -7.489 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.397 -12.918 -5.177 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.479 -10.262 -6.223 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.384 -12.755 -7.668 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.245 -11.309 -6.022 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.158 -11.391 -4.497 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.016 -12.835 -5.527 1.00 0.00 H new ATOM 557 N SER 1 33 -9.169 -11.652 -3.250 1.00 0.00 N ATOM 558 CA SER 1 33 -9.564 -10.984 -2.002 1.00 0.00 C ATOM 559 C SER 1 33 -8.334 -10.768 -1.108 1.00 0.00 C ATOM 560 O SER 1 33 -7.324 -11.446 -1.314 1.00 0.00 O ATOM 561 CB SER 1 33 -10.604 -11.841 -1.270 1.00 0.00 C ATOM 562 OG SER 1 33 -11.809 -11.924 -2.013 1.00 0.00 O ATOM 0 H SER 1 33 -8.958 -12.642 -3.127 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.000 -10.013 -2.236 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -10.205 -12.842 -1.105 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.807 -11.413 -0.288 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.456 -12.477 -1.527 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.365 -9.824 -0.103 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.213 -9.602 0.806 1.00 0.00 C ATOM 570 C PRO 1 34 -6.791 -10.878 1.532 1.00 0.00 C ATOM 571 O PRO 1 34 -5.631 -11.034 1.927 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.714 -8.543 1.803 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.199 -8.530 1.653 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.473 -8.894 0.222 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.327 -9.284 0.257 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.424 -8.795 2.823 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.288 -7.564 1.584 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.666 -9.242 2.333 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.607 -7.547 1.891 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.447 -9.370 0.106 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.467 -8.017 -0.426 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.760 -11.781 1.678 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.553 -13.082 2.304 1.00 0.00 C ATOM 584 C ASP 1 35 -6.912 -14.036 1.309 1.00 0.00 C ATOM 585 O ASP 1 35 -6.115 -14.899 1.673 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.869 -13.641 2.780 1.00 0.00 C ATOM 587 CG ASP 1 35 -9.149 -13.332 4.237 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -9.651 -12.224 4.522 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -8.867 -14.197 5.091 1.00 0.00 O ATOM 0 H ASP 1 35 -8.717 -11.627 1.362 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.890 -12.963 3.161 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.673 -13.235 2.167 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.872 -14.721 2.636 1.00 0.00 H new ATOM 594 N SER 1 36 -7.301 -13.849 0.042 1.00 0.00 N ATOM 595 CA SER 1 36 -6.782 -14.628 -1.084 1.00 0.00 C ATOM 596 C SER 1 36 -5.334 -14.232 -1.355 1.00 0.00 C ATOM 597 O SER 1 36 -4.507 -15.073 -1.708 1.00 0.00 O ATOM 598 CB SER 1 36 -7.637 -14.395 -2.335 1.00 0.00 C ATOM 599 OG SER 1 36 -7.295 -15.307 -3.367 1.00 0.00 O ATOM 0 H SER 1 36 -7.990 -13.148 -0.230 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.824 -15.688 -0.832 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.692 -14.505 -2.084 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.499 -13.373 -2.688 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.856 -15.138 -4.152 1.00 0.00 H new ATOM 605 N LEU 1 37 -5.045 -12.928 -1.173 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.739 -12.365 -1.344 1.00 0.00 C ATOM 607 C LEU 1 37 -2.828 -12.781 -0.189 1.00 0.00 C ATOM 608 O LEU 1 37 -1.632 -13.024 -0.377 1.00 0.00 O ATOM 609 CB LEU 1 37 -3.930 -10.861 -1.374 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.722 -10.175 -2.722 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.274 -8.766 -2.677 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.259 -10.140 -3.116 1.00 0.00 C ATOM 0 H LEU 1 37 -5.747 -12.241 -0.897 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.265 -12.715 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -4.940 -10.638 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.243 -10.415 -0.655 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.257 -10.756 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -4.121 -8.284 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.340 -8.800 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.759 -8.198 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.154 -9.644 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.692 -9.593 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.877 -11.158 -3.188 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.436 -12.869 1.006 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.761 -13.288 2.219 1.00 0.00 C ATOM 626 C ARG 1 38 -2.497 -14.788 2.134 1.00 0.00 C ATOM 627 O ARG 1 38 -1.417 -15.254 2.487 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.616 -12.952 3.452 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.799 -12.616 4.697 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.687 -12.211 5.869 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.204 -10.844 5.728 1.00 0.00 N ATOM 632 CZ ARG 1 38 -4.874 -10.173 6.678 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -5.127 -10.724 7.864 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -5.294 -8.939 6.434 1.00 0.00 N ATOM 0 H ARG 1 38 -4.422 -12.646 1.145 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.814 -12.757 2.320 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.263 -12.107 3.215 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.266 -13.799 3.673 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.197 -13.479 4.980 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.107 -11.805 4.469 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.522 -12.907 5.947 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -3.119 -12.289 6.796 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.042 -10.368 4.841 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -4.810 -11.673 8.064 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -5.638 -10.197 8.573 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -5.107 -8.506 5.529 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -5.804 -8.423 7.151 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.503 -15.528 1.625 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.405 -16.975 1.432 1.00 0.00 C ATOM 650 C ASP 1 39 -2.406 -17.335 0.322 1.00 0.00 C ATOM 651 O ASP 1 39 -1.641 -18.293 0.467 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.778 -17.564 1.095 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.475 -18.142 2.311 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -5.167 -19.295 2.679 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -6.330 -17.443 2.895 1.00 0.00 O ATOM 0 H ASP 1 39 -4.400 -15.134 1.340 1.00 0.00 H new ATOM 0 HA ASP 1 39 -3.044 -17.402 2.368 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.405 -16.788 0.655 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.661 -18.344 0.342 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.386 -16.535 -0.769 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.503 -16.779 -1.906 1.00 0.00 C ATOM 662 C TYR 1 40 -0.044 -16.458 -1.559 1.00 0.00 C ATOM 663 O TYR 1 40 0.845 -17.287 -1.748 1.00 0.00 O ATOM 664 CB TYR 1 40 -1.962 -15.946 -3.116 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.601 -16.555 -4.454 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -2.350 -17.594 -4.993 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -0.510 -16.092 -5.174 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -2.020 -18.155 -6.212 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -0.172 -16.646 -6.395 1.00 0.00 C ATOM 670 CZ TYR 1 40 -0.929 -17.677 -6.909 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.598 -18.230 -8.125 1.00 0.00 O ATOM 0 H TYR 1 40 -2.980 -15.713 -0.875 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.559 -17.838 -2.158 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -3.043 -15.817 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.519 -14.952 -3.049 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 -3.205 -17.969 -4.450 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 0.086 -15.285 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 -2.612 -18.962 -6.617 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 0.681 -16.273 -6.943 1.00 0.00 H new ATOM 0 HH TYR 1 40 -0.505 -17.519 -8.793 1.00 0.00 H new ATOM 681 N PHE 1 41 0.174 -15.248 -1.029 1.00 0.00 N ATOM 682 CA PHE 1 41 1.492 -14.758 -0.663 1.00 0.00 C ATOM 683 C PHE 1 41 2.090 -15.438 0.575 1.00 0.00 C ATOM 684 O PHE 1 41 3.314 -15.453 0.734 1.00 0.00 O ATOM 685 CB PHE 1 41 1.438 -13.258 -0.545 1.00 0.00 C ATOM 686 CG PHE 1 41 1.552 -12.600 -1.895 1.00 0.00 C ATOM 687 CD1 PHE 1 41 2.784 -12.194 -2.388 1.00 0.00 C ATOM 688 CD2 PHE 1 41 0.425 -12.416 -2.684 1.00 0.00 C ATOM 689 CE1 PHE 1 41 2.891 -11.614 -3.637 1.00 0.00 C ATOM 690 CE2 PHE 1 41 0.530 -11.834 -3.937 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.763 -11.434 -4.412 1.00 0.00 C ATOM 0 H PHE 1 41 -0.574 -14.580 -0.843 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.186 -15.029 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.502 -12.962 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.246 -12.912 0.100 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 3.671 -12.333 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 -0.542 -12.729 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 3.856 -11.302 -4.007 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 -0.353 -11.693 -4.542 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.845 -10.981 -5.389 1.00 0.00 H new ATOM 701 N SER 1 42 1.226 -15.983 1.472 1.00 0.00 N ATOM 702 CA SER 1 42 1.692 -16.694 2.691 1.00 0.00 C ATOM 703 C SER 1 42 2.497 -17.912 2.282 1.00 0.00 C ATOM 704 O SER 1 42 3.218 -18.526 3.073 1.00 0.00 O ATOM 705 CB SER 1 42 0.521 -17.126 3.576 1.00 0.00 C ATOM 706 OG SER 1 42 0.141 -16.089 4.465 1.00 0.00 O ATOM 0 H SER 1 42 0.211 -15.944 1.375 1.00 0.00 H new ATOM 0 HA SER 1 42 2.311 -16.008 3.269 1.00 0.00 H new ATOM 0 HB2 SER 1 42 -0.328 -17.402 2.951 1.00 0.00 H new ATOM 0 HB3 SER 1 42 0.800 -18.013 4.145 1.00 0.00 H new ATOM 0 HG SER 1 42 -0.556 -15.540 4.049 1.00 0.00 H new ATOM 712 N LYS 1 43 2.336 -18.208 1.008 1.00 0.00 N ATOM 713 CA LYS 1 43 2.984 -19.313 0.334 1.00 0.00 C ATOM 714 C LYS 1 43 4.388 -18.920 -0.155 1.00 0.00 C ATOM 715 O LYS 1 43 5.201 -19.782 -0.498 1.00 0.00 O ATOM 716 CB LYS 1 43 2.109 -19.751 -0.836 1.00 0.00 C ATOM 717 CG LYS 1 43 0.962 -20.675 -0.442 1.00 0.00 C ATOM 718 CD LYS 1 43 1.050 -22.012 -1.162 1.00 0.00 C ATOM 719 CE LYS 1 43 -0.100 -22.935 -0.782 1.00 0.00 C ATOM 720 NZ LYS 1 43 0.088 -23.542 0.566 1.00 0.00 N ATOM 0 H LYS 1 43 1.729 -17.666 0.393 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.106 -20.140 1.034 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.698 -18.865 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 2.733 -20.257 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 0.979 -20.839 0.635 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 0.011 -20.196 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 1.042 -21.846 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 1.998 -22.493 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 -1.035 -22.374 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -0.189 -23.727 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -0.718 -24.162 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 0.966 -24.099 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 0.147 -22.789 1.281 1.00 0.00 H new ATOM 734 N PHE 1 44 4.645 -17.605 -0.169 1.00 0.00 N ATOM 735 CA PHE 1 44 5.932 -17.033 -0.583 1.00 0.00 C ATOM 736 C PHE 1 44 6.759 -16.665 0.649 1.00 0.00 C ATOM 737 O PHE 1 44 7.992 -16.728 0.634 1.00 0.00 O ATOM 738 CB PHE 1 44 5.695 -15.781 -1.415 1.00 0.00 C ATOM 739 CG PHE 1 44 6.469 -15.728 -2.702 1.00 0.00 C ATOM 740 CD1 PHE 1 44 5.861 -16.068 -3.898 1.00 0.00 C ATOM 741 CD2 PHE 1 44 7.800 -15.335 -2.717 1.00 0.00 C ATOM 742 CE1 PHE 1 44 6.563 -16.018 -5.086 1.00 0.00 C ATOM 743 CE2 PHE 1 44 8.507 -15.285 -3.903 1.00 0.00 C ATOM 744 CZ PHE 1 44 7.887 -15.627 -5.089 1.00 0.00 C ATOM 0 H PHE 1 44 3.959 -16.903 0.109 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.471 -17.772 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 4.632 -15.708 -1.643 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 5.953 -14.908 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 4.826 -16.376 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 8.288 -15.065 -1.792 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 6.076 -16.285 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 9.543 -14.979 -3.903 1.00 0.00 H new ATOM 0 HZ PHE 1 44 8.437 -15.589 -6.017 1.00 0.00 H new ATOM 754 N GLY 1 45 6.041 -16.287 1.713 1.00 0.00 N ATOM 755 CA GLY 1 45 6.622 -15.906 2.967 1.00 0.00 C ATOM 756 C GLY 1 45 5.543 -15.742 4.007 1.00 0.00 C ATOM 757 O GLY 1 45 4.440 -16.278 3.855 1.00 0.00 O ATOM 0 H GLY 1 45 5.022 -16.243 1.707 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.338 -16.662 3.290 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.173 -14.973 2.853 1.00 0.00 H new ATOM 761 N GLU 1 46 5.854 -15.002 5.050 1.00 0.00 N ATOM 762 CA GLU 1 46 4.927 -14.744 6.110 1.00 0.00 C ATOM 763 C GLU 1 46 4.415 -13.321 6.029 1.00 0.00 C ATOM 764 O GLU 1 46 5.178 -12.364 5.871 1.00 0.00 O ATOM 765 CB GLU 1 46 5.541 -15.012 7.476 1.00 0.00 C ATOM 766 CG GLU 1 46 4.485 -15.167 8.561 1.00 0.00 C ATOM 767 CD GLU 1 46 5.045 -15.704 9.862 1.00 0.00 C ATOM 768 OE1 GLU 1 46 5.444 -14.889 10.720 1.00 0.00 O ATOM 769 OE2 GLU 1 46 5.084 -16.943 10.025 1.00 0.00 O ATOM 0 H GLU 1 46 6.766 -14.563 5.179 1.00 0.00 H new ATOM 0 HA GLU 1 46 4.089 -15.430 5.988 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 6.147 -15.917 7.429 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 6.211 -14.193 7.738 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 4.017 -14.200 8.745 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.702 -15.837 8.205 1.00 0.00 H new ATOM 776 N ILE 1 47 3.115 -13.231 6.168 1.00 0.00 N ATOM 777 CA ILE 1 47 2.385 -11.964 6.110 1.00 0.00 C ATOM 778 C ILE 1 47 1.881 -11.539 7.487 1.00 0.00 C ATOM 779 O ILE 1 47 1.449 -12.364 8.298 1.00 0.00 O ATOM 780 CB ILE 1 47 1.222 -12.024 5.089 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.783 -12.352 3.719 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.435 -10.713 5.020 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.061 -13.469 2.979 1.00 0.00 C ATOM 0 H ILE 1 47 2.515 -14.041 6.327 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.090 -11.206 5.768 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.530 -12.799 5.419 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.753 -11.452 3.106 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.832 -12.628 3.829 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.368 -10.809 4.290 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.011 -10.491 5.999 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.102 -9.904 4.722 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.535 -13.630 2.011 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.113 -14.387 3.565 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.017 -13.192 2.830 1.00 0.00 H new ATOM 795 N ARG 1 48 1.980 -10.234 7.725 1.00 0.00 N ATOM 796 CA ARG 1 48 1.541 -9.597 8.954 1.00 0.00 C ATOM 797 C ARG 1 48 0.103 -9.102 8.803 1.00 0.00 C ATOM 798 O ARG 1 48 -0.720 -9.242 9.712 1.00 0.00 O ATOM 799 CB ARG 1 48 2.459 -8.406 9.223 1.00 0.00 C ATOM 800 CG ARG 1 48 2.675 -8.095 10.692 1.00 0.00 C ATOM 801 CD ARG 1 48 3.853 -7.152 10.889 1.00 0.00 C ATOM 802 NE ARG 1 48 4.072 -6.826 12.302 1.00 0.00 N ATOM 803 CZ ARG 1 48 5.157 -6.196 12.780 1.00 0.00 C ATOM 804 NH1 ARG 1 48 6.144 -5.816 11.971 1.00 0.00 N ATOM 805 NH2 ARG 1 48 5.252 -5.949 14.079 1.00 0.00 N ATOM 0 H ARG 1 48 2.377 -9.579 7.051 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.581 -10.309 9.778 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.427 -8.598 8.760 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 2.041 -7.525 8.736 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.773 -7.646 11.107 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.851 -9.021 11.240 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.754 -7.609 10.479 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.678 -6.233 10.329 1.00 0.00 H new ATOM 0 HE ARG 1 48 3.349 -7.097 12.969 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 6.083 -6.002 10.970 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 6.961 -5.338 12.352 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 4.503 -6.237 14.709 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 6.074 -5.471 14.448 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.175 -8.543 7.617 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.475 -7.983 7.271 1.00 0.00 C ATOM 821 C GLU 1 49 -1.564 -7.817 5.757 1.00 0.00 C ATOM 822 O GLU 1 49 -0.548 -7.744 5.072 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.686 -6.615 7.953 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.145 -6.274 8.229 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.315 -4.891 8.828 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.189 -4.760 10.063 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -3.575 -3.940 8.062 1.00 0.00 O ATOM 0 H GLU 1 49 0.511 -8.469 6.866 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.252 -8.664 7.620 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.137 -6.602 8.895 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.256 -5.837 7.323 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.711 -6.336 7.300 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.566 -7.015 8.909 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.787 -7.769 5.259 1.00 0.00 N ATOM 835 CA CYS 1 50 -3.067 -7.585 3.855 1.00 0.00 C ATOM 836 C CYS 1 50 -4.222 -6.617 3.700 1.00 0.00 C ATOM 837 O CYS 1 50 -5.132 -6.560 4.534 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.367 -8.905 3.142 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.670 -8.737 1.366 1.00 0.00 S ATOM 0 H CYS 1 50 -3.625 -7.859 5.833 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.174 -7.175 3.383 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.529 -9.585 3.293 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.239 -9.365 3.606 1.00 0.00 H new ATOM 0 HG CYS 1 50 -3.054 -7.683 0.919 1.00 0.00 H new ATOM 845 N MET 1 51 -4.163 -5.870 2.614 1.00 0.00 N ATOM 846 CA MET 1 51 -5.147 -4.847 2.302 1.00 0.00 C ATOM 847 C MET 1 51 -5.424 -4.756 0.806 1.00 0.00 C ATOM 848 O MET 1 51 -4.514 -4.770 -0.022 1.00 0.00 O ATOM 849 CB MET 1 51 -4.673 -3.496 2.834 1.00 0.00 C ATOM 850 CG MET 1 51 -5.633 -2.327 2.616 1.00 0.00 C ATOM 851 SD MET 1 51 -5.107 -0.818 3.461 1.00 0.00 S ATOM 852 CE MET 1 51 -3.813 -0.224 2.368 1.00 0.00 C ATOM 0 H MET 1 51 -3.424 -5.956 1.916 1.00 0.00 H new ATOM 0 HA MET 1 51 -6.082 -5.126 2.788 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.484 -3.593 3.903 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.721 -3.254 2.362 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.719 -2.128 1.548 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.625 -2.608 2.969 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -3.398 0.702 2.765 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -3.025 -0.974 2.296 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -4.229 -0.039 1.378 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.708 -4.702 0.507 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.230 -4.541 -0.847 1.00 0.00 C ATOM 864 C VAL 1 52 -8.239 -3.394 -0.832 1.00 0.00 C ATOM 865 O VAL 1 52 -9.203 -3.401 -0.060 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.871 -5.833 -1.385 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.400 -5.680 -2.812 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.878 -6.975 -1.326 1.00 0.00 C ATOM 0 H VAL 1 52 -7.440 -4.770 1.214 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.405 -4.313 -1.521 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.725 -6.051 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.841 -6.622 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.157 -4.896 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.579 -5.413 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.344 -7.883 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -6.006 -6.731 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.568 -7.135 -0.293 1.00 0.00 H new ATOM 878 N MET 1 53 -7.985 -2.423 -1.694 1.00 0.00 N ATOM 879 CA MET 1 53 -8.803 -1.208 -1.817 1.00 0.00 C ATOM 880 C MET 1 53 -10.141 -1.456 -2.519 1.00 0.00 C ATOM 881 O MET 1 53 -10.187 -1.999 -3.627 1.00 0.00 O ATOM 882 CB MET 1 53 -8.019 -0.118 -2.552 1.00 0.00 C ATOM 883 CG MET 1 53 -7.264 0.821 -1.621 1.00 0.00 C ATOM 884 SD MET 1 53 -8.369 1.789 -0.571 1.00 0.00 S ATOM 885 CE MET 1 53 -7.190 2.641 0.474 1.00 0.00 C ATOM 0 H MET 1 53 -7.196 -2.448 -2.340 1.00 0.00 H new ATOM 0 HA MET 1 53 -9.034 -0.880 -0.803 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -7.310 -0.588 -3.233 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.709 0.465 -3.162 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -6.588 0.240 -0.994 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.647 1.496 -2.214 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -7.723 3.280 1.178 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -6.597 1.910 1.024 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -6.531 3.252 -0.143 1.00 0.00 H new ATOM 895 N ARG 1 54 -11.217 -1.038 -1.845 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.582 -1.181 -2.351 1.00 0.00 C ATOM 897 C ARG 1 54 -13.349 0.139 -2.208 1.00 0.00 C ATOM 898 O ARG 1 54 -12.974 0.993 -1.398 1.00 0.00 O ATOM 899 CB ARG 1 54 -13.303 -2.303 -1.593 1.00 0.00 C ATOM 900 CG ARG 1 54 -13.437 -3.591 -2.391 1.00 0.00 C ATOM 901 CD ARG 1 54 -14.077 -4.696 -1.564 1.00 0.00 C ATOM 902 NE ARG 1 54 -14.331 -5.904 -2.360 1.00 0.00 N ATOM 903 CZ ARG 1 54 -15.077 -6.942 -1.957 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -15.659 -6.949 -0.758 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -15.242 -7.983 -2.763 1.00 0.00 N ATOM 0 H ARG 1 54 -11.164 -0.590 -0.930 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.540 -1.439 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.762 -2.512 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -14.297 -1.957 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -14.038 -3.407 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -12.453 -3.913 -2.731 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -13.426 -4.945 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -15.016 -4.336 -1.143 1.00 0.00 H new ATOM 0 HE ARG 1 54 -13.909 -5.957 -3.287 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -15.540 -6.155 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -16.223 -7.748 -0.470 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -14.802 -7.990 -3.683 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -15.809 -8.776 -2.462 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.430 0.292 -2.988 1.00 0.00 N ATOM 920 CA ASP 1 55 -15.243 1.482 -2.974 1.00 0.00 C ATOM 921 C ASP 1 55 -16.567 1.227 -2.246 1.00 0.00 C ATOM 922 O ASP 1 55 -17.332 0.361 -2.667 1.00 0.00 O ATOM 923 CB ASP 1 55 -15.521 1.930 -4.394 1.00 0.00 C ATOM 924 CG ASP 1 55 -14.493 2.915 -4.914 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -13.514 2.473 -5.548 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -14.669 4.131 -4.686 1.00 0.00 O ATOM 0 H ASP 1 55 -14.753 -0.419 -3.644 1.00 0.00 H new ATOM 0 HA ASP 1 55 -14.700 2.264 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -15.544 1.058 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -16.510 2.387 -4.438 1.00 0.00 H new ATOM 931 N PRO 1 56 -16.862 1.952 -1.130 1.00 0.00 N ATOM 932 CA PRO 1 56 -18.130 1.781 -0.387 1.00 0.00 C ATOM 933 C PRO 1 56 -19.375 2.178 -1.201 1.00 0.00 C ATOM 934 O PRO 1 56 -20.504 1.908 -0.781 1.00 0.00 O ATOM 935 CB PRO 1 56 -17.980 2.720 0.821 1.00 0.00 C ATOM 936 CG PRO 1 56 -16.522 3.020 0.920 1.00 0.00 C ATOM 937 CD PRO 1 56 -15.981 2.944 -0.479 1.00 0.00 C ATOM 0 HA PRO 1 56 -18.285 0.734 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -18.559 3.633 0.682 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -18.345 2.247 1.733 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -16.357 4.009 1.348 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -16.021 2.303 1.570 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -16.024 3.911 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -14.939 2.625 -0.491 1.00 0.00 H new ATOM 945 N THR 1 57 -19.156 2.816 -2.367 1.00 0.00 N ATOM 946 CA THR 1 57 -20.242 3.269 -3.235 1.00 0.00 C ATOM 947 C THR 1 57 -20.791 2.153 -4.131 1.00 0.00 C ATOM 948 O THR 1 57 -22.009 2.010 -4.274 1.00 0.00 O ATOM 949 CB THR 1 57 -19.804 4.451 -4.127 1.00 0.00 C ATOM 950 OG1 THR 1 57 -18.552 4.157 -4.758 1.00 0.00 O ATOM 951 CG2 THR 1 57 -19.684 5.735 -3.317 1.00 0.00 C ATOM 0 H THR 1 57 -18.225 3.027 -2.725 1.00 0.00 H new ATOM 0 HA THR 1 57 -21.035 3.592 -2.560 1.00 0.00 H new ATOM 0 HB THR 1 57 -20.568 4.597 -4.891 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -18.285 4.912 -5.322 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -19.374 6.550 -3.971 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -20.649 5.975 -2.870 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -18.943 5.600 -2.529 1.00 0.00 H new ATOM 959 N THR 1 58 -19.881 1.374 -4.727 1.00 0.00 N ATOM 960 CA THR 1 58 -20.257 0.270 -5.624 1.00 0.00 C ATOM 961 C THR 1 58 -19.831 -1.095 -5.078 1.00 0.00 C ATOM 962 O THR 1 58 -20.229 -2.134 -5.612 1.00 0.00 O ATOM 963 CB THR 1 58 -19.648 0.462 -7.034 1.00 0.00 C ATOM 964 OG1 THR 1 58 -18.219 0.552 -6.951 1.00 0.00 O ATOM 965 CG2 THR 1 58 -20.194 1.719 -7.698 1.00 0.00 C ATOM 0 H THR 1 58 -18.875 1.487 -4.605 1.00 0.00 H new ATOM 0 HA THR 1 58 -21.345 0.290 -5.689 1.00 0.00 H new ATOM 0 HB THR 1 58 -19.925 -0.403 -7.637 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -17.846 0.672 -7.849 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -19.750 1.830 -8.687 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -21.277 1.639 -7.793 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -19.947 2.589 -7.089 1.00 0.00 H new ATOM 973 N LYS 1 59 -19.013 -1.083 -4.001 1.00 0.00 N ATOM 974 CA LYS 1 59 -18.487 -2.305 -3.329 1.00 0.00 C ATOM 975 C LYS 1 59 -17.599 -3.141 -4.267 1.00 0.00 C ATOM 976 O LYS 1 59 -17.228 -4.279 -3.955 1.00 0.00 O ATOM 977 CB LYS 1 59 -19.634 -3.172 -2.764 1.00 0.00 C ATOM 978 CG LYS 1 59 -20.780 -2.376 -2.152 1.00 0.00 C ATOM 979 CD LYS 1 59 -20.520 -2.003 -0.697 1.00 0.00 C ATOM 980 CE LYS 1 59 -21.611 -1.094 -0.153 1.00 0.00 C ATOM 981 NZ LYS 1 59 -21.355 -0.692 1.258 1.00 0.00 N ATOM 0 H LYS 1 59 -18.693 -0.218 -3.565 1.00 0.00 H new ATOM 0 HA LYS 1 59 -17.868 -1.965 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -20.029 -3.798 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -19.228 -3.842 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -20.939 -1.468 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -21.698 -2.960 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -20.464 -2.908 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -19.554 -1.504 -0.615 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -21.683 -0.202 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -22.572 -1.605 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -22.123 -0.073 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -21.312 -1.540 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -20.451 -0.181 1.315 1.00 0.00 H new ATOM 995 N ARG 1 60 -17.247 -2.535 -5.402 1.00 0.00 N ATOM 996 CA ARG 1 60 -16.396 -3.168 -6.419 1.00 0.00 C ATOM 997 C ARG 1 60 -14.928 -2.788 -6.218 1.00 0.00 C ATOM 998 O ARG 1 60 -14.626 -1.669 -5.795 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.852 -2.755 -7.828 1.00 0.00 C ATOM 1000 CG ARG 1 60 -18.212 -3.316 -8.231 1.00 0.00 C ATOM 1001 CD ARG 1 60 -18.081 -4.645 -8.964 1.00 0.00 C ATOM 1002 NE ARG 1 60 -19.364 -5.352 -9.051 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -20.048 -5.565 -10.185 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -19.592 -5.130 -11.358 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -21.201 -6.217 -10.139 1.00 0.00 N ATOM 0 H ARG 1 60 -17.543 -1.590 -5.645 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.492 -4.249 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.889 -1.667 -7.882 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -16.106 -3.085 -8.551 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -18.828 -3.451 -7.342 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -18.727 -2.598 -8.869 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -17.695 -4.469 -9.968 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -17.355 -5.273 -8.449 1.00 0.00 H new ATOM 0 HE ARG 1 60 -19.766 -5.708 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -18.707 -4.625 -11.406 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -20.127 -5.302 -12.209 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -21.562 -6.553 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -21.727 -6.383 -10.997 1.00 0.00 H new ATOM 1019 N SER 1 61 -14.026 -3.730 -6.530 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.578 -3.517 -6.391 1.00 0.00 C ATOM 1021 C SER 1 61 -11.983 -2.867 -7.647 1.00 0.00 C ATOM 1022 O SER 1 61 -12.544 -2.992 -8.739 1.00 0.00 O ATOM 1023 CB SER 1 61 -11.877 -4.850 -6.109 1.00 0.00 C ATOM 1024 OG SER 1 61 -12.170 -5.810 -7.112 1.00 0.00 O ATOM 0 H SER 1 61 -14.277 -4.654 -6.883 1.00 0.00 H new ATOM 0 HA SER 1 61 -12.418 -2.838 -5.554 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -10.800 -4.693 -6.057 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -12.191 -5.230 -5.137 1.00 0.00 H new ATOM 0 HG SER 1 61 -11.708 -6.649 -6.906 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.844 -2.178 -7.477 1.00 0.00 N ATOM 1031 CA ARG 1 62 -10.163 -1.508 -8.593 1.00 0.00 C ATOM 1032 C ARG 1 62 -9.063 -2.384 -9.202 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.533 -2.066 -10.272 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.576 -0.168 -8.138 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.497 1.018 -8.397 1.00 0.00 C ATOM 1036 CD ARG 1 62 -9.858 2.344 -7.996 1.00 0.00 C ATOM 1037 NE ARG 1 62 -8.732 2.713 -8.869 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -8.610 3.889 -9.506 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -9.536 4.838 -9.387 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -7.547 4.113 -10.269 1.00 0.00 N ATOM 0 H ARG 1 62 -10.376 -2.071 -6.577 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.910 -1.329 -9.366 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -9.355 -0.220 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.629 -0.002 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -10.759 1.048 -9.455 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -11.426 0.882 -7.843 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -10.611 3.131 -8.028 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -9.509 2.278 -6.966 1.00 0.00 H new ATOM 0 HE ARG 1 62 -7.990 2.025 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -10.357 4.679 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -9.424 5.724 -9.879 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -6.830 3.394 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -7.447 5.004 -10.756 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.733 -3.485 -8.518 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.709 -4.405 -8.998 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.317 -4.091 -8.473 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.330 -4.292 -9.184 1.00 0.00 O ATOM 0 H GLY 1 63 -9.162 -3.756 -7.633 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -7.978 -5.420 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.692 -4.381 -10.088 1.00 0.00 H new ATOM 1061 N PHE 1 64 -6.240 -3.570 -7.236 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.956 -3.237 -6.605 1.00 0.00 C ATOM 1063 C PHE 1 64 -5.043 -3.358 -5.079 1.00 0.00 C ATOM 1064 O PHE 1 64 -6.121 -3.196 -4.499 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.466 -1.837 -7.057 1.00 0.00 C ATOM 1066 CG PHE 1 64 -5.038 -0.658 -6.312 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -4.570 -0.345 -5.054 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -6.015 0.134 -6.879 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -5.068 0.741 -4.360 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -6.523 1.222 -6.196 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -6.048 1.527 -4.933 1.00 0.00 C ATOM 0 H PHE 1 64 -7.054 -3.371 -6.655 1.00 0.00 H new ATOM 0 HA PHE 1 64 -4.211 -3.960 -6.937 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.380 -1.807 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.698 -1.718 -8.115 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -3.803 -0.958 -4.604 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -6.386 -0.099 -7.866 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -4.693 0.974 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -7.290 1.834 -6.647 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.443 2.377 -4.397 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.896 -3.643 -4.448 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.825 -3.780 -3.027 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.395 -3.781 -2.549 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.479 -3.441 -3.295 1.00 0.00 O ATOM 0 H GLY 1 65 -3.006 -3.781 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.369 -2.963 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.313 -4.706 -2.724 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.235 -4.119 -1.285 1.00 0.00 N ATOM 1089 CA PHE 1 66 -0.985 -4.198 -0.609 1.00 0.00 C ATOM 1090 C PHE 1 66 -0.956 -5.448 0.261 1.00 0.00 C ATOM 1091 O PHE 1 66 -2.001 -6.034 0.571 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.838 -2.983 0.279 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.714 -1.678 -0.450 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 0.523 -1.095 -0.665 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 -1.848 -1.033 -0.915 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 0.627 0.112 -1.334 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 -1.753 0.170 -1.586 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.514 0.744 -1.795 1.00 0.00 C ATOM 0 H PHE 1 66 -3.024 -4.356 -0.683 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.174 -4.239 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.700 -2.931 0.944 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 0.042 -3.116 0.909 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 1.415 -1.587 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 -2.819 -1.477 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 1.597 0.559 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 -2.645 0.661 -1.946 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.436 1.686 -2.318 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.244 -5.845 0.642 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.467 -6.995 1.511 1.00 0.00 C ATOM 1110 C VAL 1 67 1.675 -6.693 2.354 1.00 0.00 C ATOM 1111 O VAL 1 67 2.746 -6.338 1.851 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.661 -8.351 0.758 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.002 -9.488 1.726 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.578 -8.738 -0.048 1.00 0.00 C ATOM 0 H VAL 1 67 1.103 -5.376 0.356 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.432 -7.136 2.111 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.495 -8.201 0.072 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.130 -10.415 1.168 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 1.926 -9.252 2.254 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.193 -9.607 2.447 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.400 -9.686 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.431 -8.840 0.623 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.787 -7.965 -0.787 1.00 0.00 H new ATOM 1124 N THR 1 68 1.469 -6.852 3.634 1.00 0.00 N ATOM 1125 CA THR 1 68 2.467 -6.577 4.622 1.00 0.00 C ATOM 1126 C THR 1 68 3.120 -7.847 5.119 1.00 0.00 C ATOM 1127 O THR 1 68 2.526 -8.623 5.869 1.00 0.00 O ATOM 1128 CB THR 1 68 1.855 -5.810 5.777 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.794 -4.978 5.275 1.00 0.00 O ATOM 1130 CG2 THR 1 68 2.919 -4.979 6.483 1.00 0.00 C ATOM 0 H THR 1 68 0.586 -7.182 4.022 1.00 0.00 H new ATOM 0 HA THR 1 68 3.243 -5.968 4.158 1.00 0.00 H new ATOM 0 HB THR 1 68 1.444 -6.507 6.507 1.00 0.00 H new ATOM 0 HG1 THR 1 68 0.391 -4.479 6.016 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.465 -4.434 7.310 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.699 -5.637 6.867 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.355 -4.271 5.778 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.361 -8.016 4.700 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.165 -9.164 5.050 1.00 0.00 C ATOM 1140 C PHE 1 69 5.844 -8.997 6.410 1.00 0.00 C ATOM 1141 O PHE 1 69 6.585 -8.033 6.629 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.190 -9.396 3.949 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.559 -9.922 2.694 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.336 -11.281 2.525 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.142 -9.048 1.704 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 4.707 -11.754 1.393 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 4.522 -9.518 0.567 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.302 -10.869 0.413 1.00 0.00 C ATOM 0 H PHE 1 69 4.842 -7.348 4.098 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.515 -10.035 5.138 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.705 -8.461 3.731 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 6.944 -10.101 4.299 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 5.658 -11.975 3.287 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 5.304 -7.987 1.824 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 4.532 -12.813 1.273 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 4.209 -8.828 -0.203 1.00 0.00 H new ATOM 0 HZ PHE 1 69 3.812 -11.237 -0.476 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.577 -9.949 7.321 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.140 -9.927 8.676 1.00 0.00 C ATOM 1160 C ALA 1 70 7.612 -10.332 8.738 1.00 0.00 C ATOM 1161 O ALA 1 70 8.215 -10.404 9.818 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.301 -10.785 9.615 1.00 0.00 C ATOM 0 H ALA 1 70 4.970 -10.748 7.138 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.104 -8.888 9.004 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 5.732 -10.758 10.616 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.282 -10.399 9.648 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.287 -11.813 9.254 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.167 -10.570 7.572 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.544 -10.958 7.413 1.00 0.00 C ATOM 1170 C ASP 1 71 10.234 -10.114 6.343 1.00 0.00 C ATOM 1171 O ASP 1 71 9.656 -9.899 5.272 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.620 -12.413 6.983 1.00 0.00 C ATOM 1173 CG ASP 1 71 10.911 -13.109 7.390 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 10.829 -14.176 8.036 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 11.998 -12.590 7.066 1.00 0.00 O ATOM 0 H ASP 1 71 7.660 -10.497 6.690 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.043 -10.809 8.371 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 8.776 -12.953 7.412 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.515 -12.468 5.899 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.473 -9.611 6.600 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.234 -8.861 5.591 1.00 0.00 C ATOM 1182 C PRO 1 72 12.772 -9.770 4.500 1.00 0.00 C ATOM 1183 O PRO 1 72 13.171 -9.311 3.425 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.405 -8.278 6.355 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.099 -8.465 7.800 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.216 -9.673 7.879 1.00 0.00 C ATOM 0 HA PRO 1 72 11.606 -8.115 5.104 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.334 -8.782 6.086 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.536 -7.222 6.119 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.012 -8.610 8.377 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.599 -7.588 8.210 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.794 -10.593 7.968 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.548 -9.632 8.739 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.766 -11.068 4.803 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.273 -12.090 3.892 1.00 0.00 C ATOM 1196 C ALA 1 73 12.297 -12.385 2.762 1.00 0.00 C ATOM 1197 O ALA 1 73 12.706 -12.757 1.658 1.00 0.00 O ATOM 1198 CB ALA 1 73 13.622 -13.363 4.650 1.00 0.00 C ATOM 0 H ALA 1 73 12.410 -11.438 5.684 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.182 -11.695 3.438 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 13.998 -14.111 3.952 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.388 -13.145 5.395 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 12.731 -13.746 5.147 1.00 0.00 H new ATOM 1204 N SER 1 74 11.008 -12.195 3.048 1.00 0.00 N ATOM 1205 CA SER 1 74 9.942 -12.425 2.063 1.00 0.00 C ATOM 1206 C SER 1 74 9.978 -11.378 0.960 1.00 0.00 C ATOM 1207 O SER 1 74 9.637 -11.661 -0.189 1.00 0.00 O ATOM 1208 CB SER 1 74 8.568 -12.453 2.732 1.00 0.00 C ATOM 1209 OG SER 1 74 7.612 -13.075 1.891 1.00 0.00 O ATOM 0 H SER 1 74 10.672 -11.881 3.958 1.00 0.00 H new ATOM 0 HA SER 1 74 10.119 -13.401 1.611 1.00 0.00 H new ATOM 0 HB2 SER 1 74 8.630 -12.990 3.679 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.250 -11.436 2.962 1.00 0.00 H new ATOM 0 HG SER 1 74 6.820 -12.502 1.816 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.404 -10.172 1.333 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.532 -9.052 0.397 1.00 0.00 C ATOM 1217 C VAL 1 75 11.697 -9.311 -0.554 1.00 0.00 C ATOM 1218 O VAL 1 75 11.669 -8.910 -1.716 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.742 -7.691 1.129 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 10.605 -6.508 0.169 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.771 -7.520 2.297 1.00 0.00 C ATOM 0 H VAL 1 75 10.670 -9.942 2.291 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.599 -8.981 -0.161 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.758 -7.706 1.523 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.758 -5.577 0.715 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 11.351 -6.592 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 9.608 -6.511 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 9.949 -6.560 2.781 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.746 -7.555 1.927 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 9.924 -8.323 3.018 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.699 -10.004 -0.022 1.00 0.00 N ATOM 1232 CA ASP 1 76 13.896 -10.388 -0.753 1.00 0.00 C ATOM 1233 C ASP 1 76 13.563 -11.481 -1.764 1.00 0.00 C ATOM 1234 O ASP 1 76 14.030 -11.473 -2.907 1.00 0.00 O ATOM 1235 CB ASP 1 76 14.939 -10.890 0.241 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.366 -10.652 -0.219 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 16.902 -9.557 0.053 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 16.947 -11.561 -0.848 1.00 0.00 O ATOM 0 H ASP 1 76 12.699 -10.319 0.948 1.00 0.00 H new ATOM 0 HA ASP 1 76 14.290 -9.528 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.786 -10.395 1.200 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.790 -11.957 0.406 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.721 -12.404 -1.301 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.244 -13.540 -2.091 1.00 0.00 C ATOM 1245 C LYS 1 77 11.376 -13.098 -3.270 1.00 0.00 C ATOM 1246 O LYS 1 77 11.538 -13.594 -4.387 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.465 -14.525 -1.209 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.331 -15.279 -0.208 1.00 0.00 C ATOM 1249 CD LYS 1 77 11.644 -16.550 0.271 1.00 0.00 C ATOM 1250 CE LYS 1 77 12.544 -17.371 1.179 1.00 0.00 C ATOM 1251 NZ LYS 1 77 11.873 -18.619 1.638 1.00 0.00 N ATOM 0 H LYS 1 77 12.345 -12.384 -0.353 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.125 -14.038 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 10.693 -13.979 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 10.956 -15.246 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.287 -15.531 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 12.547 -14.636 0.645 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 10.730 -16.290 0.804 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 11.351 -17.151 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 13.462 -17.625 0.648 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 12.831 -16.773 2.044 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 12.518 -19.153 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 11.011 -18.376 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 11.622 -19.201 0.814 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.496 -12.126 -3.013 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.584 -11.595 -4.040 1.00 0.00 C ATOM 1267 C VAL 1 78 10.324 -10.632 -4.995 1.00 0.00 C ATOM 1268 O VAL 1 78 9.969 -10.531 -6.173 1.00 0.00 O ATOM 1269 CB VAL 1 78 8.322 -10.908 -3.423 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 7.322 -10.496 -4.503 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.629 -11.835 -2.426 1.00 0.00 C ATOM 0 H VAL 1 78 10.393 -11.686 -2.098 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.230 -12.449 -4.617 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.669 -10.013 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 6.458 -10.022 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.796 -9.793 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 6.998 -11.379 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.754 -11.334 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.318 -12.748 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.320 -12.085 -1.621 1.00 0.00 H new ATOM 1281 N LEU 1 79 11.340 -9.925 -4.466 1.00 0.00 N ATOM 1282 CA LEU 1 79 12.152 -8.982 -5.220 1.00 0.00 C ATOM 1283 C LEU 1 79 12.938 -9.670 -6.344 1.00 0.00 C ATOM 1284 O LEU 1 79 13.117 -9.097 -7.423 1.00 0.00 O ATOM 1285 CB LEU 1 79 13.110 -8.338 -4.218 1.00 0.00 C ATOM 1286 CG LEU 1 79 13.435 -6.844 -4.362 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 14.330 -6.570 -5.567 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 12.175 -5.976 -4.413 1.00 0.00 C ATOM 0 H LEU 1 79 11.615 -10.002 -3.487 1.00 0.00 H new ATOM 0 HA LEU 1 79 11.515 -8.242 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 12.697 -8.492 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 14.051 -8.886 -4.261 1.00 0.00 H new ATOM 0 HG LEU 1 79 13.987 -6.565 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 14.536 -5.502 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 15.268 -7.114 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.827 -6.899 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 12.459 -4.929 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 11.564 -6.271 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.604 -6.109 -3.494 1.00 0.00 H new ATOM 1300 N GLY 1 80 13.395 -10.906 -6.072 1.00 0.00 N ATOM 1301 CA GLY 1 80 14.140 -11.682 -7.051 1.00 0.00 C ATOM 1302 C GLY 1 80 13.262 -12.254 -8.151 1.00 0.00 C ATOM 1303 O GLY 1 80 13.727 -12.492 -9.270 1.00 0.00 O ATOM 0 H GLY 1 80 13.256 -11.379 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.908 -11.051 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.654 -12.498 -6.544 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.998 -12.484 -7.807 1.00 0.00 N ATOM 1308 CA GLN 1 81 11.011 -13.007 -8.726 1.00 0.00 C ATOM 1309 C GLN 1 81 10.065 -11.876 -9.188 1.00 0.00 C ATOM 1310 O GLN 1 81 9.103 -11.545 -8.480 1.00 0.00 O ATOM 1311 CB GLN 1 81 10.254 -14.126 -8.020 1.00 0.00 C ATOM 1312 CG GLN 1 81 11.067 -15.403 -7.900 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.350 -16.503 -7.143 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 10.519 -16.650 -5.933 1.00 0.00 O ATOM 1315 NE2 GLN 1 81 9.547 -17.287 -7.855 1.00 0.00 N ATOM 0 H GLN 1 81 11.634 -12.308 -6.871 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.488 -13.409 -9.620 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.964 -13.790 -7.024 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 9.334 -14.336 -8.566 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.316 -15.762 -8.899 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 12.008 -15.180 -7.398 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 9.437 -17.129 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 9.041 -18.047 -7.400 1.00 0.00 H new ATOM 1324 N PRO 1 82 10.328 -11.239 -10.377 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.498 -10.129 -10.891 1.00 0.00 C ATOM 1326 C PRO 1 82 8.166 -10.570 -11.504 1.00 0.00 C ATOM 1327 O PRO 1 82 7.177 -9.834 -11.425 1.00 0.00 O ATOM 1328 CB PRO 1 82 10.373 -9.479 -11.980 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.690 -10.185 -11.939 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.441 -11.523 -11.309 1.00 0.00 C ATOM 0 HA PRO 1 82 9.219 -9.465 -10.073 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 9.909 -9.578 -12.961 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.498 -8.412 -11.793 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 12.099 -10.300 -12.943 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 12.417 -9.614 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 11.168 -12.275 -12.049 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 12.322 -11.895 -10.787 1.00 0.00 H new ATOM 1338 N HIS 1 83 8.138 -11.769 -12.102 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.934 -12.290 -12.747 1.00 0.00 C ATOM 1340 C HIS 1 83 6.013 -12.984 -11.738 1.00 0.00 C ATOM 1341 O HIS 1 83 6.450 -13.856 -10.982 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.326 -13.256 -13.865 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.312 -13.350 -14.967 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 5.241 -14.218 -14.935 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 6.204 -12.663 -16.128 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 4.518 -14.062 -16.031 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 5.082 -13.123 -16.770 1.00 0.00 N ATOM 0 H HIS 1 83 8.941 -12.396 -12.150 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.382 -11.451 -13.171 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.280 -12.940 -14.288 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.479 -14.248 -13.439 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 6.876 -11.896 -16.483 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 3.620 -14.608 -16.280 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 4.739 -12.793 -17.672 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.742 -12.562 -11.732 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.721 -13.108 -10.853 1.00 0.00 C ATOM 1358 C HIS 1 84 2.430 -13.267 -11.639 1.00 0.00 C ATOM 1359 O HIS 1 84 1.943 -12.310 -12.253 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.507 -12.177 -9.664 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.350 -12.896 -8.364 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 2.123 -13.188 -7.810 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 4.275 -13.396 -7.510 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 2.299 -13.835 -6.672 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 3.594 -13.975 -6.469 1.00 0.00 N ATOM 0 H HIS 1 84 4.398 -11.824 -12.347 1.00 0.00 H new ATOM 0 HA HIS 1 84 4.038 -14.080 -10.475 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.352 -11.493 -9.592 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.620 -11.570 -9.843 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 5.348 -13.348 -7.627 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 1.515 -14.189 -6.019 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 4.021 -14.439 -5.667 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.889 -14.477 -11.622 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.689 -14.788 -12.332 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.438 -15.098 -11.366 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.278 -15.839 -10.392 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.929 -15.965 -13.283 1.00 0.00 C ATOM 1379 CG GLU 1 85 0.156 -15.869 -14.589 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.549 -16.949 -15.578 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 1.399 -16.674 -16.450 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 0.009 -18.071 -15.478 1.00 0.00 O ATOM 0 H GLU 1 85 2.284 -15.264 -11.108 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.397 -13.919 -12.923 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.994 -16.028 -13.506 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.654 -16.890 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -0.912 -15.942 -14.382 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.327 -14.890 -15.038 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.569 -14.503 -11.682 1.00 0.00 N ATOM 1390 CA LEU 1 86 -2.798 -14.624 -10.952 1.00 0.00 C ATOM 1391 C LEU 1 86 -3.926 -14.613 -11.967 1.00 0.00 C ATOM 1392 O LEU 1 86 -3.968 -13.762 -12.857 1.00 0.00 O ATOM 1393 CB LEU 1 86 -2.935 -13.456 -9.971 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.321 -13.235 -9.367 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.564 -14.147 -8.170 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.500 -11.775 -8.980 1.00 0.00 C ATOM 0 H LEU 1 86 -1.652 -13.894 -12.496 1.00 0.00 H new ATOM 0 HA LEU 1 86 -2.824 -15.546 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.228 -13.610 -9.156 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.636 -12.542 -10.484 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.062 -13.490 -10.125 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.560 -13.961 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.488 -15.188 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.818 -13.945 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.492 -11.631 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.743 -11.498 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.393 -11.148 -9.865 1.00 0.00 H new ATOM 1408 N ASP 1 87 -4.836 -15.563 -11.802 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.007 -15.760 -12.676 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.601 -15.845 -14.147 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.296 -15.381 -15.061 1.00 0.00 O ATOM 1412 CB ASP 1 87 -6.967 -14.626 -12.424 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.377 -14.879 -12.932 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -8.646 -14.573 -14.112 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.208 -15.383 -12.148 1.00 0.00 O ATOM 0 H ASP 1 87 -4.788 -16.240 -11.041 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.490 -16.709 -12.445 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.008 -14.431 -11.352 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.579 -13.724 -12.897 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.452 -16.484 -14.326 1.00 0.00 N ATOM 1421 CA SER 1 88 -3.806 -16.718 -15.638 1.00 0.00 C ATOM 1422 C SER 1 88 -3.289 -15.411 -16.272 1.00 0.00 C ATOM 1423 O SER 1 88 -2.865 -15.403 -17.435 1.00 0.00 O ATOM 1424 CB SER 1 88 -4.744 -17.458 -16.613 1.00 0.00 C ATOM 1425 OG SER 1 88 -5.102 -18.732 -16.104 1.00 0.00 O ATOM 0 H SER 1 88 -3.918 -16.870 -13.548 1.00 0.00 H new ATOM 0 HA SER 1 88 -2.944 -17.357 -15.446 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -5.642 -16.864 -16.781 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -4.253 -17.573 -17.579 1.00 0.00 H new ATOM 0 HG SER 1 88 -5.698 -19.182 -16.738 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.305 -14.316 -15.494 1.00 0.00 N ATOM 1432 CA LYS 1 89 -2.833 -13.031 -15.965 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.732 -12.508 -15.065 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.653 -12.824 -13.876 1.00 0.00 O ATOM 1435 CB LYS 1 89 -3.957 -11.982 -16.114 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.066 -12.030 -15.065 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.217 -11.113 -15.445 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.286 -11.076 -14.366 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -8.433 -10.207 -14.750 1.00 0.00 N ATOM 0 H LYS 1 89 -3.645 -14.310 -14.532 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.435 -13.197 -16.966 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.506 -10.990 -16.090 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.410 -12.103 -17.098 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.430 -13.052 -14.962 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.666 -11.735 -14.095 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.838 -10.105 -15.617 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.658 -11.452 -16.383 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -7.645 -12.088 -14.176 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -6.850 -10.712 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.140 -10.209 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -8.095 -9.236 -14.907 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.865 -10.569 -15.624 1.00 0.00 H new ATOM 1453 N THR 1 90 -0.894 -11.711 -15.685 1.00 0.00 N ATOM 1454 CA THR 1 90 0.271 -11.087 -15.049 1.00 0.00 C ATOM 1455 C THR 1 90 -0.123 -9.818 -14.276 1.00 0.00 C ATOM 1456 O THR 1 90 -0.682 -8.881 -14.852 1.00 0.00 O ATOM 1457 CB THR 1 90 1.343 -10.736 -16.114 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.408 -11.772 -17.104 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.726 -10.560 -15.492 1.00 0.00 C ATOM 0 H THR 1 90 -0.995 -11.465 -16.670 1.00 0.00 H new ATOM 0 HA THR 1 90 0.684 -11.806 -14.341 1.00 0.00 H new ATOM 0 HB THR 1 90 1.048 -9.792 -16.572 1.00 0.00 H new ATOM 0 HG1 THR 1 90 2.086 -11.542 -17.774 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.447 -10.315 -16.272 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.696 -9.753 -14.760 1.00 0.00 H new ATOM 0 HG23 THR 1 90 3.024 -11.486 -15.000 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.186 -9.805 -12.972 1.00 0.00 N ATOM 1468 CA ILE 1 91 -0.123 -8.663 -12.101 1.00 0.00 C ATOM 1469 C ILE 1 91 1.169 -7.927 -11.704 1.00 0.00 C ATOM 1470 O ILE 1 91 2.265 -8.422 -11.996 1.00 0.00 O ATOM 1471 CB ILE 1 91 -1.000 -9.090 -10.885 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.328 -10.119 -9.976 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.324 -9.647 -11.399 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -0.937 -10.175 -8.585 1.00 0.00 C ATOM 0 H ILE 1 91 0.652 -10.577 -12.495 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.731 -7.948 -12.656 1.00 0.00 H new ATOM 0 HB ILE 1 91 -1.157 -8.199 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.400 -11.104 -10.437 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.733 -9.883 -9.892 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.944 -9.948 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.842 -8.880 -11.975 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.133 -10.511 -12.035 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.416 -10.924 -7.989 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -0.841 -9.200 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -1.992 -10.440 -8.660 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.062 -6.755 -11.050 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.255 -5.975 -10.736 1.00 0.00 C ATOM 1488 C ASP 1 92 2.569 -5.844 -9.225 1.00 0.00 C ATOM 1489 O ASP 1 92 2.208 -4.835 -8.605 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.106 -4.590 -11.378 1.00 0.00 C ATOM 1491 CG ASP 1 92 3.433 -3.882 -11.601 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 4.038 -4.081 -12.674 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 3.862 -3.127 -10.703 1.00 0.00 O ATOM 0 H ASP 1 92 0.182 -6.343 -10.739 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.107 -6.518 -11.145 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 1.593 -4.694 -12.334 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 1.474 -3.969 -10.743 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.216 -6.872 -8.588 1.00 0.00 N ATOM 1499 CA PRO 1 93 3.633 -6.777 -7.182 1.00 0.00 C ATOM 1500 C PRO 1 93 4.983 -6.054 -7.056 1.00 0.00 C ATOM 1501 O PRO 1 93 5.974 -6.475 -7.664 1.00 0.00 O ATOM 1502 CB PRO 1 93 3.746 -8.248 -6.728 1.00 0.00 C ATOM 1503 CG PRO 1 93 3.353 -9.081 -7.914 1.00 0.00 C ATOM 1504 CD PRO 1 93 3.528 -8.209 -9.128 1.00 0.00 C ATOM 0 HA PRO 1 93 2.933 -6.204 -6.574 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 4.762 -8.480 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.091 -8.445 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 3.976 -9.973 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 2.321 -9.419 -7.825 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 4.541 -8.262 -9.527 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 2.852 -8.492 -9.935 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.015 -4.970 -6.264 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.249 -4.178 -6.080 1.00 0.00 C ATOM 1514 C LYS 1 94 6.304 -3.507 -4.704 1.00 0.00 C ATOM 1515 O LYS 1 94 5.270 -3.145 -4.143 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.415 -3.116 -7.202 1.00 0.00 C ATOM 1517 CG LYS 1 94 5.192 -2.226 -7.461 1.00 0.00 C ATOM 1518 CD LYS 1 94 5.235 -0.948 -6.631 1.00 0.00 C ATOM 1519 CE LYS 1 94 4.064 -0.029 -6.948 1.00 0.00 C ATOM 1520 NZ LYS 1 94 4.232 0.663 -8.257 1.00 0.00 N ATOM 0 H LYS 1 94 4.210 -4.622 -5.744 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.080 -4.881 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 7.260 -2.476 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 6.670 -3.630 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 5.146 -1.970 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 4.283 -2.781 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 5.221 -1.202 -5.571 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 6.171 -0.423 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 3.142 -0.610 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 3.962 0.713 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 3.412 1.278 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 5.098 1.238 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 4.303 -0.044 -9.017 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.533 -3.304 -4.200 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.767 -2.679 -2.888 1.00 0.00 C ATOM 1536 C VAL 1 95 7.632 -1.149 -2.971 1.00 0.00 C ATOM 1537 O VAL 1 95 8.049 -0.534 -3.957 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.158 -3.042 -2.312 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.228 -2.779 -0.808 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.536 -4.492 -2.605 1.00 0.00 C ATOM 0 H VAL 1 95 8.389 -3.567 -4.689 1.00 0.00 H new ATOM 0 HA VAL 1 95 7.004 -3.072 -2.216 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.878 -2.395 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.218 -3.045 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 9.040 -1.723 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.476 -3.381 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.519 -4.704 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.798 -5.158 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.562 -4.651 -3.683 1.00 0.00 H new ATOM 1550 N ALA 1 96 7.044 -0.555 -1.920 1.00 0.00 N ATOM 1551 CA ALA 1 96 6.830 0.898 -1.830 1.00 0.00 C ATOM 1552 C ALA 1 96 8.145 1.689 -1.815 1.00 0.00 C ATOM 1553 O ALA 1 96 9.174 1.191 -1.347 1.00 0.00 O ATOM 1554 CB ALA 1 96 6.006 1.229 -0.594 1.00 0.00 C ATOM 0 H ALA 1 96 6.703 -1.070 -1.108 1.00 0.00 H new ATOM 0 HA ALA 1 96 6.287 1.198 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 5.853 2.307 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 5.040 0.728 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 6.534 0.889 0.297 1.00 0.00 H new ATOM 1560 N PHE 1 97 8.086 2.925 -2.328 1.00 0.00 N ATOM 1561 CA PHE 1 97 9.242 3.811 -2.407 1.00 0.00 C ATOM 1562 C PHE 1 97 9.159 4.940 -1.350 1.00 0.00 C ATOM 1563 O PHE 1 97 8.238 5.763 -1.411 1.00 0.00 O ATOM 1564 CB PHE 1 97 9.297 4.406 -3.814 1.00 0.00 C ATOM 1565 CG PHE 1 97 10.169 3.632 -4.765 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 11.479 4.022 -4.994 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 9.680 2.514 -5.425 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 12.286 3.311 -5.864 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 10.483 1.801 -6.296 1.00 0.00 C ATOM 1570 CZ PHE 1 97 11.787 2.200 -6.515 1.00 0.00 C ATOM 0 H PHE 1 97 7.229 3.335 -2.700 1.00 0.00 H new ATOM 0 HA PHE 1 97 10.148 3.240 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 8.286 4.453 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 9.663 5.431 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 11.874 4.890 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 8.661 2.197 -5.257 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 13.305 3.625 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 10.091 0.933 -6.805 1.00 0.00 H new ATOM 0 HZ PHE 1 97 12.416 1.644 -7.195 1.00 0.00 H new ATOM 1580 N PRO 1 98 10.103 4.997 -0.350 1.00 0.00 N ATOM 1581 CA PRO 1 98 10.104 6.051 0.691 1.00 0.00 C ATOM 1582 C PRO 1 98 10.629 7.401 0.176 1.00 0.00 C ATOM 1583 O PRO 1 98 11.085 7.499 -0.967 1.00 0.00 O ATOM 1584 CB PRO 1 98 11.045 5.496 1.782 1.00 0.00 C ATOM 1585 CG PRO 1 98 11.408 4.110 1.359 1.00 0.00 C ATOM 1586 CD PRO 1 98 11.218 4.053 -0.128 1.00 0.00 C ATOM 0 HA PRO 1 98 9.093 6.256 1.043 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 11.935 6.118 1.881 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 10.552 5.489 2.754 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 12.439 3.881 1.627 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 10.778 3.375 1.859 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 12.118 4.356 -0.663 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 10.970 3.047 -0.466 1.00 0.00 H new ATOM 1594 N ARG 1 99 10.566 8.433 1.035 1.00 0.00 N ATOM 1595 CA ARG 1 99 11.033 9.779 0.680 1.00 0.00 C ATOM 1596 C ARG 1 99 12.436 10.049 1.233 1.00 0.00 C ATOM 1597 O ARG 1 99 13.255 10.686 0.564 1.00 0.00 O ATOM 1598 CB ARG 1 99 10.063 10.842 1.211 1.00 0.00 C ATOM 1599 CG ARG 1 99 8.811 11.018 0.363 1.00 0.00 C ATOM 1600 CD ARG 1 99 7.916 12.128 0.904 1.00 0.00 C ATOM 1601 NE ARG 1 99 7.180 11.713 2.105 1.00 0.00 N ATOM 1602 CZ ARG 1 99 6.370 12.509 2.821 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 6.170 13.780 2.477 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 5.755 12.022 3.889 1.00 0.00 N ATOM 0 H ARG 1 99 10.195 8.357 1.982 1.00 0.00 H new ATOM 0 HA ARG 1 99 11.073 9.833 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 9.767 10.575 2.226 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 10.585 11.797 1.272 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 9.096 11.248 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 8.254 10.081 0.337 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 8.525 13.002 1.137 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 7.208 12.430 0.132 1.00 0.00 H new ATOM 0 HE ARG 1 99 7.292 10.749 2.418 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 6.636 14.166 1.656 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 5.551 14.368 3.035 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 5.899 11.050 4.161 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 5.138 12.620 4.439 1.00 0.00 H new ATOM 1618 N ARG 1 100 12.708 9.552 2.450 1.00 0.00 N ATOM 1619 CA ARG 1 100 14.012 9.736 3.099 1.00 0.00 C ATOM 1620 C ARG 1 100 14.920 8.524 2.859 1.00 0.00 C ATOM 1621 O ARG 1 100 14.432 7.411 2.640 1.00 0.00 O ATOM 1622 CB ARG 1 100 13.825 9.963 4.603 1.00 0.00 C ATOM 1623 CG ARG 1 100 14.841 10.923 5.213 1.00 0.00 C ATOM 1624 CD ARG 1 100 14.735 10.968 6.732 1.00 0.00 C ATOM 1625 NE ARG 1 100 13.567 11.735 7.186 1.00 0.00 N ATOM 1626 CZ ARG 1 100 12.702 11.324 8.125 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 12.849 10.148 8.733 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 11.681 12.102 8.458 1.00 0.00 N ATOM 0 H ARG 1 100 12.039 9.018 3.004 1.00 0.00 H new ATOM 0 HA ARG 1 100 14.489 10.613 2.662 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 12.822 10.350 4.780 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 13.892 9.004 5.117 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 15.847 10.617 4.928 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 14.685 11.923 4.808 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 14.673 9.951 7.120 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 15.641 11.412 7.144 1.00 0.00 H new ATOM 0 HE ARG 1 100 13.402 12.645 6.756 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 13.631 9.541 8.487 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 12.180 9.855 9.445 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 11.558 13.006 8.001 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 11.019 11.797 9.171 1.00 0.00 H new ATOM 1642 N ALA 1 101 16.240 8.759 2.902 1.00 0.00 N ATOM 1643 CA ALA 1 101 17.234 7.709 2.692 1.00 0.00 C ATOM 1644 C ALA 1 101 17.513 6.908 3.972 1.00 0.00 C ATOM 1645 O ALA 1 101 17.057 7.277 5.060 1.00 0.00 O ATOM 1646 CB ALA 1 101 18.526 8.307 2.145 1.00 0.00 C ATOM 0 H ALA 1 101 16.642 9.679 3.083 1.00 0.00 H new ATOM 0 HA ALA 1 101 16.822 7.013 1.961 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 19.258 7.514 1.993 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 18.324 8.802 1.195 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 18.920 9.033 2.856 1.00 0.00 H new ATOM 1652 N GLN 1 102 18.265 5.810 3.819 1.00 0.00 N ATOM 1653 CA GLN 1 102 18.620 4.928 4.936 1.00 0.00 C ATOM 1654 C GLN 1 102 20.148 4.774 5.053 1.00 0.00 C ATOM 1655 O GLN 1 102 20.827 4.669 4.028 1.00 0.00 O ATOM 1656 CB GLN 1 102 17.975 3.551 4.751 1.00 0.00 C ATOM 1657 CG GLN 1 102 16.488 3.518 5.073 1.00 0.00 C ATOM 1658 CD GLN 1 102 15.880 2.144 4.872 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 15.841 1.328 5.795 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 15.403 1.878 3.662 1.00 0.00 N ATOM 0 H GLN 1 102 18.643 5.510 2.920 1.00 0.00 H new ATOM 0 HA GLN 1 102 18.245 5.381 5.854 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 18.121 3.228 3.720 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 18.490 2.831 5.387 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 16.336 3.831 6.106 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 15.967 4.238 4.442 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 15.456 2.583 2.927 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 14.984 0.969 3.468 1.00 0.00 H new ATOM 1669 N PRO 1 103 20.723 4.764 6.300 1.00 0.00 N ATOM 1670 CA PRO 1 103 22.180 4.610 6.501 1.00 0.00 C ATOM 1671 C PRO 1 103 22.667 3.161 6.295 1.00 0.00 C ATOM 1672 O PRO 1 103 21.858 2.263 6.038 1.00 0.00 O ATOM 1673 CB PRO 1 103 22.381 5.066 7.955 1.00 0.00 C ATOM 1674 CG PRO 1 103 21.090 4.772 8.641 1.00 0.00 C ATOM 1675 CD PRO 1 103 20.009 4.916 7.599 1.00 0.00 C ATOM 0 HA PRO 1 103 22.756 5.186 5.777 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 23.207 4.531 8.424 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 22.620 6.128 8.005 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 21.094 3.766 9.060 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 20.925 5.461 9.469 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 19.237 4.156 7.719 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 19.515 5.885 7.670 1.00 0.00 H new ATOM 1683 N LYS 1 104 23.989 2.946 6.420 1.00 0.00 N ATOM 1684 CA LYS 1 104 24.597 1.615 6.243 1.00 0.00 C ATOM 1685 C LYS 1 104 24.475 0.773 7.518 1.00 0.00 C ATOM 1686 O LYS 1 104 24.864 1.215 8.603 1.00 0.00 O ATOM 1687 CB LYS 1 104 26.076 1.744 5.851 1.00 0.00 C ATOM 1688 CG LYS 1 104 26.306 2.325 4.461 1.00 0.00 C ATOM 1689 CD LYS 1 104 27.784 2.574 4.199 1.00 0.00 C ATOM 1690 CE LYS 1 104 27.996 3.441 2.968 1.00 0.00 C ATOM 1691 NZ LYS 1 104 29.439 3.725 2.731 1.00 0.00 N ATOM 0 H LYS 1 104 24.660 3.681 6.644 1.00 0.00 H new ATOM 0 HA LYS 1 104 24.055 1.112 5.442 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 26.581 2.374 6.584 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 26.541 0.760 5.902 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 25.912 1.641 3.710 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 25.755 3.260 4.360 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 28.231 3.058 5.067 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 28.296 1.621 4.066 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 27.576 2.941 2.095 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 27.456 4.380 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 29.541 4.319 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 29.834 4.225 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 29.950 2.830 2.591 1.00 0.00 H new ATOM 1705 N MET 1 105 23.934 -0.444 7.367 1.00 0.00 N ATOM 1706 CA MET 1 105 23.744 -1.368 8.493 1.00 0.00 C ATOM 1707 C MET 1 105 24.926 -2.329 8.630 1.00 0.00 C ATOM 1708 O MET 1 105 25.544 -2.709 7.631 1.00 0.00 O ATOM 1709 CB MET 1 105 22.441 -2.161 8.324 1.00 0.00 C ATOM 1710 CG MET 1 105 21.180 -1.312 8.445 1.00 0.00 C ATOM 1711 SD MET 1 105 19.665 -2.293 8.427 1.00 0.00 S ATOM 1712 CE MET 1 105 19.565 -2.808 10.141 1.00 0.00 C ATOM 0 H MET 1 105 23.619 -0.813 6.470 1.00 0.00 H new ATOM 0 HA MET 1 105 23.683 -0.771 9.403 1.00 0.00 H new ATOM 0 HB2 MET 1 105 22.447 -2.647 7.349 1.00 0.00 H new ATOM 0 HB3 MET 1 105 22.408 -2.951 9.074 1.00 0.00 H new ATOM 0 HG2 MET 1 105 21.223 -0.737 9.370 1.00 0.00 H new ATOM 0 HG3 MET 1 105 21.152 -0.595 7.625 1.00 0.00 H new ATOM 0 HE1 MET 1 105 18.677 -3.424 10.285 1.00 0.00 H new ATOM 0 HE2 MET 1 105 20.453 -3.385 10.400 1.00 0.00 H new ATOM 0 HE3 MET 1 105 19.505 -1.929 10.782 1.00 0.00 H new ATOM 1722 N VAL 1 106 25.237 -2.700 9.879 1.00 0.00 N ATOM 1723 CA VAL 1 106 26.341 -3.616 10.176 1.00 0.00 C ATOM 1724 C VAL 1 106 25.818 -5.051 10.358 1.00 0.00 C ATOM 1725 O VAL 1 106 24.625 -5.262 10.601 1.00 0.00 O ATOM 1726 CB VAL 1 106 27.126 -3.176 11.451 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 28.517 -3.807 11.503 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 27.247 -1.656 11.544 1.00 0.00 C ATOM 0 H VAL 1 106 24.734 -2.375 10.705 1.00 0.00 H new ATOM 0 HA VAL 1 106 27.025 -3.586 9.328 1.00 0.00 H new ATOM 0 HB VAL 1 106 26.550 -3.531 12.306 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 29.033 -3.477 12.405 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 28.424 -4.893 11.515 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 29.088 -3.502 10.626 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 27.800 -1.389 12.445 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 27.776 -1.279 10.669 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 26.252 -1.214 11.585 1.00 0.00 H new ATOM 1738 N THR 1 107 26.733 -6.020 10.249 1.00 0.00 N ATOM 1739 CA THR 1 107 26.417 -7.428 10.391 1.00 0.00 C ATOM 1740 C THR 1 107 26.728 -7.898 11.821 1.00 0.00 C ATOM 1741 O THR 1 107 27.877 -8.209 12.157 1.00 0.00 O ATOM 1742 CB THR 1 107 27.195 -8.282 9.355 1.00 0.00 C ATOM 1743 OG1 THR 1 107 27.269 -7.587 8.102 1.00 0.00 O ATOM 1744 CG2 THR 1 107 26.532 -9.639 9.129 1.00 0.00 C ATOM 0 H THR 1 107 27.718 -5.838 10.058 1.00 0.00 H new ATOM 0 HA THR 1 107 25.352 -7.561 10.201 1.00 0.00 H new ATOM 0 HB THR 1 107 28.195 -8.447 9.755 1.00 0.00 H new ATOM 0 HG1 THR 1 107 27.763 -8.132 7.454 1.00 0.00 H new ATOM 0 HG21 THR 1 107 27.106 -10.207 8.397 1.00 0.00 H new ATOM 0 HG22 THR 1 107 26.498 -10.189 10.070 1.00 0.00 H new ATOM 0 HG23 THR 1 107 25.518 -9.491 8.758 1.00 0.00 H new ATOM 1752 N ARG 1 108 25.683 -7.928 12.650 1.00 0.00 N ATOM 1753 CA ARG 1 108 25.795 -8.340 14.056 1.00 0.00 C ATOM 1754 C ARG 1 108 25.555 -9.839 14.233 1.00 0.00 C ATOM 1755 O ARG 1 108 24.793 -10.450 13.477 1.00 0.00 O ATOM 1756 CB ARG 1 108 24.804 -7.550 14.916 1.00 0.00 C ATOM 1757 CG ARG 1 108 25.246 -6.121 15.196 1.00 0.00 C ATOM 1758 CD ARG 1 108 24.165 -5.329 15.914 1.00 0.00 C ATOM 1759 NE ARG 1 108 24.559 -3.931 16.118 1.00 0.00 N ATOM 1760 CZ ARG 1 108 23.760 -2.974 16.610 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 22.503 -3.239 16.962 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 24.226 -1.740 16.749 1.00 0.00 N ATOM 0 H ARG 1 108 24.737 -7.669 12.370 1.00 0.00 H new ATOM 0 HA ARG 1 108 26.814 -8.126 14.380 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 23.836 -7.531 14.415 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 24.663 -8.070 15.863 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 26.152 -6.132 15.802 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 25.496 -5.627 14.257 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 23.242 -5.366 15.335 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 23.955 -5.792 16.878 1.00 0.00 H new ATOM 0 HE ARG 1 108 25.512 -3.668 15.867 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 22.133 -4.184 16.859 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 21.910 -2.497 17.335 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 25.187 -1.525 16.482 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 23.624 -1.006 17.123 1.00 0.00 H new ATOM 1776 N THR 1 109 26.220 -10.416 15.244 1.00 0.00 N ATOM 1777 CA THR 1 109 26.102 -11.845 15.559 1.00 0.00 C ATOM 1778 C THR 1 109 26.145 -12.090 17.068 1.00 0.00 C ATOM 1779 O THR 1 109 25.476 -12.998 17.573 1.00 0.00 O ATOM 1780 CB THR 1 109 27.220 -12.679 14.895 1.00 0.00 C ATOM 1781 OG1 THR 1 109 28.491 -12.047 15.093 1.00 0.00 O ATOM 1782 CG2 THR 1 109 26.962 -12.860 13.405 1.00 0.00 C ATOM 0 H THR 1 109 26.851 -9.907 15.863 1.00 0.00 H new ATOM 0 HA THR 1 109 25.137 -12.162 15.162 1.00 0.00 H new ATOM 0 HB THR 1 109 27.227 -13.663 15.364 1.00 0.00 H new ATOM 0 HG1 THR 1 109 29.193 -12.584 14.670 1.00 0.00 H new ATOM 0 HG21 THR 1 109 27.766 -13.451 12.966 1.00 0.00 H new ATOM 0 HG22 THR 1 109 26.012 -13.375 13.260 1.00 0.00 H new ATOM 0 HG23 THR 1 109 26.923 -11.884 12.921 1.00 0.00 H new ATOM 1790 N LYS 1 110 26.941 -11.275 17.778 1.00 0.00 N ATOM 1791 CA LYS 1 110 27.095 -11.382 19.230 1.00 0.00 C ATOM 1792 C LYS 1 110 25.934 -10.723 19.985 1.00 0.00 C ATOM 1793 O LYS 1 110 25.559 -11.179 21.069 1.00 0.00 O ATOM 1794 CB LYS 1 110 28.417 -10.745 19.670 1.00 0.00 C ATOM 1795 CG LYS 1 110 29.646 -11.591 19.367 1.00 0.00 C ATOM 1796 CD LYS 1 110 30.929 -10.804 19.590 1.00 0.00 C ATOM 1797 CE LYS 1 110 32.164 -11.641 19.291 1.00 0.00 C ATOM 1798 NZ LYS 1 110 32.473 -12.596 20.392 1.00 0.00 N ATOM 0 H LYS 1 110 27.493 -10.526 17.359 1.00 0.00 H new ATOM 0 HA LYS 1 110 27.094 -12.444 19.475 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 28.524 -9.779 19.177 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 28.376 -10.553 20.742 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 29.646 -12.477 20.002 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 29.605 -11.939 18.335 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 30.927 -9.918 18.954 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 30.967 -10.456 20.622 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 32.011 -12.194 18.364 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 33.018 -10.983 19.132 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 33.321 -13.146 20.147 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 32.645 -12.068 21.271 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 31.669 -13.242 20.527 1.00 0.00 H new ATOM 1812 N LYS 1 111 25.375 -9.653 19.401 1.00 0.00 N ATOM 1813 CA LYS 1 111 24.262 -8.922 19.998 1.00 0.00 C ATOM 1814 C LYS 1 111 22.918 -9.572 19.659 1.00 0.00 C ATOM 1815 O LYS 1 111 22.187 -9.936 20.603 1.00 0.00 O ATOM 1816 CB LYS 1 111 24.271 -7.458 19.540 1.00 0.00 C ATOM 1817 CG LYS 1 111 25.334 -6.607 20.217 1.00 0.00 C ATOM 1818 CD LYS 1 111 25.312 -5.178 19.699 1.00 0.00 C ATOM 1819 CE LYS 1 111 26.349 -4.315 20.398 1.00 0.00 C ATOM 1820 NZ LYS 1 111 26.365 -2.925 19.864 1.00 0.00 N ATOM 1821 OXT LYS 1 111 22.614 -9.717 18.455 1.00 0.00 O ATOM 0 H LYS 1 111 25.685 -9.276 18.505 1.00 0.00 H new ATOM 0 HA LYS 1 111 24.389 -8.956 21.080 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 24.426 -7.426 18.462 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 23.292 -7.021 19.734 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 25.171 -6.608 21.295 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 26.317 -7.044 20.043 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 25.500 -5.176 18.625 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 24.321 -4.751 19.850 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 26.140 -4.291 21.467 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 27.336 -4.762 20.276 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 27.085 -2.368 20.367 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 26.589 -2.946 18.849 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 25.431 -2.489 20.003 1.00 0.00 H new TER 1835 LYS 1 111