USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 653 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: A 69 GLN : amide:sc= -1.9 K(o=-5.7,f=-13!) USER MOD Set 1.2: A 71 MET CE :methyl -132:sc= -3.85! (180deg=-1.06) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.0983 (180deg=-0.807) USER MOD Single : A 26 GLN : amide:sc= -0.0495 X(o=-0.049,f=-0.049) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -138:sc= -2.72! USER MOD Single : A 51 ASN : amide:sc= -2.27 K(o=-2.3,f=-0.77) USER MOD Single : A 52 MET CE :methyl -161:sc= -3.33! (180deg=-6.95!) USER MOD Single : A 53 MET CE :methyl -160:sc= -0.85 (180deg=-1.81!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -0.0402 (180deg=-0.279) USER MOD Single : A 61 SER OG : rot -60:sc= 0.572 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.018) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.8) USER MOD Single : A 76 THR OG1 : rot 82:sc= 0.0716 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00342 USER MOD Single : A 85 THR OG1 : rot -160:sc=-0.00525 USER MOD Single : A 86 CYS SG : rot 73:sc= -0.0888 USER MOD Single : A 87 GLN : amide:sc= -6.18! C(o=-6.2!,f=-12!) USER MOD Single : A 88 SER OG : rot 95:sc= 1.23 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -2.01 X(o=-2,f=-1.5) USER MOD Single : A 96 GLN : amide:sc= -2.84 K(o=-2.8,f=-1.5) USER MOD Single : A 97 SER OG : rot 180:sc= -1.67 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.0849 X(o=-0.085,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -1.201 -4.826 -11.159 1.00 0.00 N ATOM 17 CA PHE A 18 -0.174 -4.028 -10.498 1.00 0.00 C ATOM 18 C PHE A 18 -0.520 -2.545 -10.599 1.00 0.00 C ATOM 19 O PHE A 18 -1.162 -2.118 -11.559 1.00 0.00 O ATOM 20 CB PHE A 18 1.194 -4.297 -11.127 1.00 0.00 C ATOM 21 CG PHE A 18 2.181 -4.915 -10.179 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.686 -4.188 -9.114 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.605 -6.224 -10.354 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.596 -4.753 -8.240 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.514 -6.794 -9.484 1.00 0.00 C ATOM 26 CZ PHE A 18 4.010 -6.058 -8.426 1.00 0.00 C ATOM 0 HA PHE A 18 -0.133 -4.309 -9.446 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.066 -4.956 -11.986 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.602 -3.359 -11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.365 -3.168 -8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.220 -6.804 -11.180 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.983 -4.175 -7.413 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.836 -7.814 -9.631 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.721 -6.502 -7.745 1.00 0.00 H new ATOM 36 N LYS A 19 -0.116 -1.762 -9.603 1.00 0.00 N ATOM 37 CA LYS A 19 -0.424 -0.335 -9.598 1.00 0.00 C ATOM 38 C LYS A 19 0.802 0.533 -9.312 1.00 0.00 C ATOM 39 O LYS A 19 1.350 0.505 -8.210 1.00 0.00 O ATOM 40 CB LYS A 19 -1.510 -0.047 -8.561 1.00 0.00 C ATOM 41 CG LYS A 19 -2.703 0.706 -9.122 1.00 0.00 C ATOM 42 CD LYS A 19 -3.714 1.029 -8.035 1.00 0.00 C ATOM 43 CE LYS A 19 -5.067 1.402 -8.624 1.00 0.00 C ATOM 44 NZ LYS A 19 -6.075 0.327 -8.423 1.00 0.00 N ATOM 0 H LYS A 19 0.419 -2.086 -8.798 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.775 -0.078 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.854 -0.990 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.077 0.532 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.364 1.629 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.180 0.109 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.828 0.169 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.343 1.852 -7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.422 2.323 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.956 1.601 -9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.982 0.620 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.749 -0.546 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.200 0.154 -7.405 1.00 0.00 H new ATOM 58 N ASP A 20 1.198 1.339 -10.298 1.00 0.00 N ATOM 59 CA ASP A 20 2.325 2.256 -10.134 1.00 0.00 C ATOM 60 C ASP A 20 1.873 3.444 -9.301 1.00 0.00 C ATOM 61 O ASP A 20 1.557 4.507 -9.834 1.00 0.00 O ATOM 62 CB ASP A 20 2.844 2.736 -11.492 1.00 0.00 C ATOM 63 CG ASP A 20 1.727 3.184 -12.415 1.00 0.00 C ATOM 64 OD1 ASP A 20 0.936 2.322 -12.850 1.00 0.00 O ATOM 65 OD2 ASP A 20 1.645 4.397 -12.703 1.00 0.00 O ATOM 0 H ASP A 20 0.756 1.375 -11.216 1.00 0.00 H new ATOM 0 HA ASP A 20 3.139 1.734 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.539 3.562 -11.340 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.404 1.931 -11.968 1.00 0.00 H new ATOM 70 N VAL A 21 1.811 3.242 -7.993 1.00 0.00 N ATOM 71 CA VAL A 21 1.362 4.279 -7.082 1.00 0.00 C ATOM 72 C VAL A 21 2.355 5.420 -6.990 1.00 0.00 C ATOM 73 O VAL A 21 3.514 5.228 -6.626 1.00 0.00 O ATOM 74 CB VAL A 21 1.110 3.721 -5.671 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.528 4.796 -4.762 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.196 2.510 -5.742 1.00 0.00 C ATOM 0 H VAL A 21 2.068 2.365 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 21 0.426 4.658 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 21 2.062 3.406 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.358 4.380 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.227 5.630 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.417 5.149 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.025 2.124 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.756 2.799 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.663 1.737 -6.353 1.00 0.00 H new ATOM 86 N PHE A 22 1.879 6.615 -7.300 1.00 0.00 N ATOM 87 CA PHE A 22 2.708 7.800 -7.229 1.00 0.00 C ATOM 88 C PHE A 22 2.164 8.734 -6.161 1.00 0.00 C ATOM 89 O PHE A 22 1.162 9.418 -6.376 1.00 0.00 O ATOM 90 CB PHE A 22 2.736 8.518 -8.582 1.00 0.00 C ATOM 91 CG PHE A 22 4.067 9.126 -8.941 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.119 9.149 -8.035 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.266 9.669 -10.200 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.334 9.698 -8.381 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.481 10.223 -10.548 1.00 0.00 C ATOM 96 CZ PHE A 22 6.515 10.235 -9.636 1.00 0.00 C ATOM 0 H PHE A 22 0.920 6.787 -7.603 1.00 0.00 H new ATOM 0 HA PHE A 22 3.726 7.504 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.453 7.810 -9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.981 9.305 -8.577 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.983 8.732 -7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.460 9.659 -10.918 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.145 9.707 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.622 10.646 -11.532 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.468 10.666 -9.906 1.00 0.00 H new ATOM 106 N ILE A 23 2.815 8.759 -5.008 1.00 0.00 N ATOM 107 CA ILE A 23 2.375 9.611 -3.917 1.00 0.00 C ATOM 108 C ILE A 23 3.176 10.901 -3.893 1.00 0.00 C ATOM 109 O ILE A 23 4.324 10.924 -3.456 1.00 0.00 O ATOM 110 CB ILE A 23 2.508 8.894 -2.560 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.966 7.465 -2.669 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.786 9.673 -1.469 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.457 7.385 -2.787 1.00 0.00 C ATOM 0 H ILE A 23 3.645 8.202 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 23 1.323 9.843 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 23 3.562 8.843 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.414 6.983 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.282 6.900 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.892 9.150 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.220 10.669 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.729 9.758 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.153 6.341 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.001 7.836 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.133 7.920 -3.679 1.00 0.00 H new ATOM 125 N GLU A 24 2.552 11.968 -4.373 1.00 0.00 N ATOM 126 CA GLU A 24 3.192 13.276 -4.429 1.00 0.00 C ATOM 127 C GLU A 24 2.675 14.183 -3.316 1.00 0.00 C ATOM 128 O GLU A 24 1.509 14.576 -3.316 1.00 0.00 O ATOM 129 CB GLU A 24 2.931 13.924 -5.791 1.00 0.00 C ATOM 130 CG GLU A 24 4.020 14.888 -6.235 1.00 0.00 C ATOM 131 CD GLU A 24 3.767 16.307 -5.770 1.00 0.00 C ATOM 132 OE1 GLU A 24 2.988 16.488 -4.810 1.00 0.00 O ATOM 133 OE2 GLU A 24 4.348 17.240 -6.364 1.00 0.00 O ATOM 0 H GLU A 24 1.597 11.953 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 24 4.265 13.140 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.826 13.140 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.981 14.457 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.981 14.549 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.092 14.873 -7.323 1.00 0.00 H new ATOM 140 N LYS A 25 3.550 14.523 -2.375 1.00 0.00 N ATOM 141 CA LYS A 25 3.173 15.394 -1.266 1.00 0.00 C ATOM 142 C LYS A 25 4.249 16.444 -1.012 1.00 0.00 C ATOM 143 O LYS A 25 5.217 16.548 -1.764 1.00 0.00 O ATOM 144 CB LYS A 25 2.917 14.585 0.015 1.00 0.00 C ATOM 145 CG LYS A 25 3.644 13.248 0.077 1.00 0.00 C ATOM 146 CD LYS A 25 5.153 13.426 0.112 1.00 0.00 C ATOM 147 CE LYS A 25 5.834 12.271 0.829 1.00 0.00 C ATOM 148 NZ LYS A 25 6.537 11.365 -0.121 1.00 0.00 N ATOM 0 H LYS A 25 4.521 14.211 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 25 2.248 15.898 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.215 15.186 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.846 14.406 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.322 12.700 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.369 12.645 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.535 13.500 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.398 14.362 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.549 12.664 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.091 11.703 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.542 10.398 0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.045 11.373 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.516 11.691 -0.251 1.00 0.00 H new ATOM 162 N GLN A 26 4.071 17.223 0.049 1.00 0.00 N ATOM 163 CA GLN A 26 5.032 18.261 0.400 1.00 0.00 C ATOM 164 C GLN A 26 6.106 17.703 1.326 1.00 0.00 C ATOM 165 O GLN A 26 5.817 16.896 2.207 1.00 0.00 O ATOM 166 CB GLN A 26 4.321 19.437 1.071 1.00 0.00 C ATOM 167 CG GLN A 26 3.859 20.507 0.095 1.00 0.00 C ATOM 168 CD GLN A 26 2.845 19.983 -0.905 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.704 19.685 -0.550 1.00 0.00 O ATOM 170 NE2 GLN A 26 3.259 19.872 -2.161 1.00 0.00 N ATOM 0 H GLN A 26 3.272 17.156 0.679 1.00 0.00 H new ATOM 0 HA GLN A 26 5.509 18.612 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.458 19.063 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.993 19.889 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.421 21.336 0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.722 20.902 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.214 20.131 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.622 19.528 -2.879 1.00 0.00 H new ATOM 179 N LYS A 27 7.345 18.135 1.122 1.00 0.00 N ATOM 180 CA LYS A 27 8.458 17.672 1.942 1.00 0.00 C ATOM 181 C LYS A 27 8.117 17.783 3.423 1.00 0.00 C ATOM 182 O LYS A 27 7.822 18.865 3.930 1.00 0.00 O ATOM 183 CB LYS A 27 9.723 18.462 1.625 1.00 0.00 C ATOM 184 CG LYS A 27 10.499 17.897 0.448 1.00 0.00 C ATOM 185 CD LYS A 27 11.940 17.594 0.822 1.00 0.00 C ATOM 186 CE LYS A 27 12.702 16.984 -0.345 1.00 0.00 C ATOM 187 NZ LYS A 27 13.420 18.018 -1.141 1.00 0.00 N ATOM 0 H LYS A 27 7.604 18.804 0.397 1.00 0.00 H new ATOM 0 HA LYS A 27 8.640 16.623 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.454 19.497 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.367 18.474 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.015 16.986 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.479 18.609 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.435 18.511 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.961 16.909 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.418 16.254 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.008 16.446 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.927 17.562 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.734 18.701 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.101 18.514 -0.532 1.00 0.00 H new ATOM 201 N GLY A 28 8.135 16.644 4.096 1.00 0.00 N ATOM 202 CA GLY A 28 7.801 16.598 5.502 1.00 0.00 C ATOM 203 C GLY A 28 6.462 15.921 5.722 1.00 0.00 C ATOM 204 O GLY A 28 5.877 16.013 6.801 1.00 0.00 O ATOM 0 H GLY A 28 8.378 15.741 3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.578 16.061 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.771 17.610 5.905 1.00 0.00 H new ATOM 208 N GLU A 29 5.974 15.247 4.679 1.00 0.00 N ATOM 209 CA GLU A 29 4.688 14.555 4.744 1.00 0.00 C ATOM 210 C GLU A 29 4.847 13.055 4.510 1.00 0.00 C ATOM 211 O GLU A 29 5.435 12.632 3.516 1.00 0.00 O ATOM 212 CB GLU A 29 3.726 15.141 3.711 1.00 0.00 C ATOM 213 CG GLU A 29 2.964 16.362 4.205 1.00 0.00 C ATOM 214 CD GLU A 29 3.853 17.365 4.914 1.00 0.00 C ATOM 215 OE1 GLU A 29 4.903 17.733 4.347 1.00 0.00 O ATOM 216 OE2 GLU A 29 3.499 17.784 6.035 1.00 0.00 O ATOM 0 H GLU A 29 6.450 15.166 3.781 1.00 0.00 H new ATOM 0 HA GLU A 29 4.282 14.699 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.288 15.412 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.011 14.373 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.479 16.848 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.174 16.041 4.884 1.00 0.00 H new ATOM 223 N ILE A 30 4.307 12.254 5.428 1.00 0.00 N ATOM 224 CA ILE A 30 4.380 10.809 5.314 1.00 0.00 C ATOM 225 C ILE A 30 3.301 10.286 4.371 1.00 0.00 C ATOM 226 O ILE A 30 2.206 10.842 4.298 1.00 0.00 O ATOM 227 CB ILE A 30 4.230 10.127 6.687 1.00 0.00 C ATOM 228 CG1 ILE A 30 2.842 10.389 7.261 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.308 10.610 7.642 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.116 9.131 7.697 1.00 0.00 C ATOM 0 H ILE A 30 3.815 12.587 6.257 1.00 0.00 H new ATOM 0 HA ILE A 30 5.363 10.568 4.910 1.00 0.00 H new ATOM 0 HB ILE A 30 4.349 9.052 6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.932 11.060 8.115 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.240 10.904 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.186 10.118 8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.290 10.371 7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.222 11.689 7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.136 9.396 8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.993 8.467 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.696 8.625 8.469 1.00 0.00 H new ATOM 242 N LEU A 31 3.615 9.214 3.651 1.00 0.00 N ATOM 243 CA LEU A 31 2.668 8.615 2.714 1.00 0.00 C ATOM 244 C LEU A 31 1.298 8.441 3.364 1.00 0.00 C ATOM 245 O LEU A 31 0.266 8.680 2.737 1.00 0.00 O ATOM 246 CB LEU A 31 3.198 7.265 2.231 1.00 0.00 C ATOM 247 CG LEU A 31 2.923 6.944 0.762 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.164 6.367 0.098 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.755 5.978 0.638 1.00 0.00 C ATOM 0 H LEU A 31 4.518 8.741 3.698 1.00 0.00 H new ATOM 0 HA LEU A 31 2.557 9.283 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.275 7.235 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.759 6.480 2.846 1.00 0.00 H new ATOM 0 HG LEU A 31 2.661 7.871 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.948 6.145 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.977 7.091 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.458 5.451 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.573 5.760 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.990 5.053 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.863 6.427 1.075 1.00 0.00 H new ATOM 261 N GLY A 32 1.299 8.040 4.631 1.00 0.00 N ATOM 262 CA GLY A 32 0.055 7.860 5.354 1.00 0.00 C ATOM 263 C GLY A 32 -0.502 6.451 5.253 1.00 0.00 C ATOM 264 O GLY A 32 -1.645 6.210 5.638 1.00 0.00 O ATOM 0 H GLY A 32 2.141 7.836 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.215 8.105 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.684 8.563 4.971 1.00 0.00 H new ATOM 268 N VAL A 33 0.294 5.518 4.743 1.00 0.00 N ATOM 269 CA VAL A 33 -0.155 4.135 4.612 1.00 0.00 C ATOM 270 C VAL A 33 0.462 3.247 5.680 1.00 0.00 C ATOM 271 O VAL A 33 1.681 3.207 5.845 1.00 0.00 O ATOM 272 CB VAL A 33 0.179 3.546 3.228 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.748 4.116 2.168 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.637 3.798 2.876 1.00 0.00 C ATOM 0 H VAL A 33 1.245 5.690 4.416 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.238 4.157 4.735 1.00 0.00 H new ATOM 0 HB VAL A 33 0.025 2.468 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.497 3.689 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.780 3.870 2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.633 5.199 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.853 3.374 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.827 4.871 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.278 3.329 3.623 1.00 0.00 H new ATOM 284 N VAL A 34 -0.392 2.530 6.398 1.00 0.00 N ATOM 285 CA VAL A 34 0.063 1.629 7.445 1.00 0.00 C ATOM 286 C VAL A 34 0.061 0.194 6.940 1.00 0.00 C ATOM 287 O VAL A 34 -0.981 -0.465 6.914 1.00 0.00 O ATOM 288 CB VAL A 34 -0.826 1.731 8.703 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.086 1.203 9.921 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.274 3.170 8.929 1.00 0.00 C ATOM 0 H VAL A 34 -1.404 2.556 6.273 1.00 0.00 H new ATOM 0 HA VAL A 34 1.077 1.923 7.715 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.714 1.118 8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.727 1.282 10.799 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.181 0.159 9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.819 1.789 10.079 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.899 3.221 9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.399 3.807 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.844 3.513 8.066 1.00 0.00 H new ATOM 300 N ILE A 35 1.230 -0.287 6.525 1.00 0.00 N ATOM 301 CA ILE A 35 1.340 -1.643 6.009 1.00 0.00 C ATOM 302 C ILE A 35 1.904 -2.600 7.051 1.00 0.00 C ATOM 303 O ILE A 35 2.716 -2.220 7.892 1.00 0.00 O ATOM 304 CB ILE A 35 2.209 -1.718 4.734 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.527 -0.957 4.903 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.438 -1.177 3.540 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.471 -1.570 5.916 1.00 0.00 C ATOM 0 H ILE A 35 2.105 0.238 6.536 1.00 0.00 H new ATOM 0 HA ILE A 35 0.324 -1.945 5.756 1.00 0.00 H new ATOM 0 HB ILE A 35 2.452 -2.766 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.031 -0.906 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.306 0.068 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.061 -1.235 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.535 -1.769 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.164 -0.138 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.380 -0.971 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.989 -1.596 6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.725 -2.585 5.609 1.00 0.00 H new ATOM 319 N VAL A 36 1.462 -3.852 6.980 1.00 0.00 N ATOM 320 CA VAL A 36 1.915 -4.882 7.902 1.00 0.00 C ATOM 321 C VAL A 36 2.368 -6.120 7.136 1.00 0.00 C ATOM 322 O VAL A 36 2.005 -6.305 5.976 1.00 0.00 O ATOM 323 CB VAL A 36 0.806 -5.280 8.895 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.541 -4.152 9.880 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.466 -5.662 8.150 1.00 0.00 C ATOM 0 H VAL A 36 0.786 -4.177 6.288 1.00 0.00 H new ATOM 0 HA VAL A 36 2.753 -4.469 8.463 1.00 0.00 H new ATOM 0 HB VAL A 36 1.143 -6.150 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.245 -4.451 10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.452 -3.934 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.226 -3.261 9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.238 -5.940 8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.809 -4.814 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.262 -6.506 7.491 1.00 0.00 H new ATOM 335 N GLU A 37 3.164 -6.962 7.783 1.00 0.00 N ATOM 336 CA GLU A 37 3.662 -8.176 7.145 1.00 0.00 C ATOM 337 C GLU A 37 2.512 -9.090 6.725 1.00 0.00 C ATOM 338 O GLU A 37 1.854 -9.701 7.567 1.00 0.00 O ATOM 339 CB GLU A 37 4.605 -8.923 8.091 1.00 0.00 C ATOM 340 CG GLU A 37 6.073 -8.591 7.874 1.00 0.00 C ATOM 341 CD GLU A 37 6.821 -9.700 7.161 1.00 0.00 C ATOM 342 OE1 GLU A 37 7.181 -10.695 7.824 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.048 -9.573 5.939 1.00 0.00 O ATOM 0 H GLU A 37 3.478 -6.829 8.744 1.00 0.00 H new ATOM 0 HA GLU A 37 4.210 -7.884 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.336 -8.686 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.461 -9.996 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.152 -7.672 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.545 -8.400 8.838 1.00 0.00 H new ATOM 350 N SER A 38 2.279 -9.182 5.417 1.00 0.00 N ATOM 351 CA SER A 38 1.214 -10.029 4.887 1.00 0.00 C ATOM 352 C SER A 38 1.425 -11.482 5.297 1.00 0.00 C ATOM 353 O SER A 38 2.551 -11.980 5.287 1.00 0.00 O ATOM 354 CB SER A 38 1.155 -9.915 3.363 1.00 0.00 C ATOM 355 OG SER A 38 0.223 -10.834 2.819 1.00 0.00 O ATOM 0 H SER A 38 2.813 -8.681 4.706 1.00 0.00 H new ATOM 0 HA SER A 38 0.266 -9.688 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.876 -8.900 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.143 -10.102 2.943 1.00 0.00 H new ATOM 0 HG SER A 38 0.202 -10.740 1.844 1.00 0.00 H new ATOM 448 N PRO A 45 3.903 -12.569 0.168 1.00 0.00 N ATOM 449 CA PRO A 45 3.865 -11.815 1.428 1.00 0.00 C ATOM 450 C PRO A 45 4.972 -10.771 1.517 1.00 0.00 C ATOM 451 O PRO A 45 6.143 -11.073 1.291 1.00 0.00 O ATOM 452 CB PRO A 45 4.063 -12.893 2.496 1.00 0.00 C ATOM 453 CG PRO A 45 3.594 -14.153 1.857 1.00 0.00 C ATOM 454 CD PRO A 45 3.934 -14.025 0.399 1.00 0.00 C ATOM 0 HA PRO A 45 2.937 -11.254 1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.109 -12.966 2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.490 -12.669 3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.084 -15.021 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.521 -14.287 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.914 -14.446 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.212 -14.547 -0.229 1.00 0.00 H new ATOM 462 N THR A 46 4.594 -9.541 1.850 1.00 0.00 N ATOM 463 CA THR A 46 5.556 -8.453 1.972 1.00 0.00 C ATOM 464 C THR A 46 5.010 -7.332 2.854 1.00 0.00 C ATOM 465 O THR A 46 5.599 -6.999 3.883 1.00 0.00 O ATOM 466 CB THR A 46 5.928 -7.904 0.590 1.00 0.00 C ATOM 467 OG1 THR A 46 6.487 -6.607 0.698 1.00 0.00 O ATOM 468 CG2 THR A 46 4.757 -7.820 -0.365 1.00 0.00 C ATOM 0 H THR A 46 3.628 -9.273 2.040 1.00 0.00 H new ATOM 0 HA THR A 46 6.453 -8.853 2.444 1.00 0.00 H new ATOM 0 HB THR A 46 6.649 -8.615 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.129 -6.036 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.096 -7.423 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.336 -8.815 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.994 -7.162 0.051 1.00 0.00 H new ATOM 476 N VAL A 47 3.884 -6.751 2.449 1.00 0.00 N ATOM 477 CA VAL A 47 3.270 -5.667 3.211 1.00 0.00 C ATOM 478 C VAL A 47 1.800 -5.482 2.843 1.00 0.00 C ATOM 479 O VAL A 47 1.425 -5.563 1.675 1.00 0.00 O ATOM 480 CB VAL A 47 4.008 -4.327 3.000 1.00 0.00 C ATOM 481 CG1 VAL A 47 5.018 -4.098 4.113 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.687 -4.285 1.639 1.00 0.00 C ATOM 0 H VAL A 47 3.380 -7.011 1.601 1.00 0.00 H new ATOM 0 HA VAL A 47 3.345 -5.955 4.260 1.00 0.00 H new ATOM 0 HB VAL A 47 3.271 -3.524 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.530 -3.150 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.502 -4.072 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.747 -4.908 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.199 -3.330 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.411 -5.097 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.938 -4.398 0.855 1.00 0.00 H new ATOM 492 N ILE A 48 0.976 -5.221 3.854 1.00 0.00 N ATOM 493 CA ILE A 48 -0.454 -5.008 3.648 1.00 0.00 C ATOM 494 C ILE A 48 -0.886 -3.669 4.217 1.00 0.00 C ATOM 495 O ILE A 48 -0.831 -3.471 5.427 1.00 0.00 O ATOM 496 CB ILE A 48 -1.337 -6.084 4.324 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.552 -7.342 4.695 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.509 -6.435 3.431 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.876 -7.834 6.090 1.00 0.00 C ATOM 0 H ILE A 48 1.275 -5.152 4.827 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.594 -5.055 2.568 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.706 -5.657 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.772 -8.130 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.516 -7.135 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.123 -7.193 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.109 -5.543 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.140 -6.822 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.292 -8.729 6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.631 -7.058 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.938 -8.069 6.155 1.00 0.00 H new ATOM 511 N ILE A 49 -1.348 -2.767 3.355 1.00 0.00 N ATOM 512 CA ILE A 49 -1.820 -1.467 3.814 1.00 0.00 C ATOM 513 C ILE A 49 -3.021 -1.660 4.728 1.00 0.00 C ATOM 514 O ILE A 49 -4.159 -1.372 4.353 1.00 0.00 O ATOM 515 CB ILE A 49 -2.221 -0.553 2.641 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.043 -0.362 1.688 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.720 0.794 3.152 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.444 0.220 0.352 1.00 0.00 C ATOM 0 H ILE A 49 -1.405 -2.911 2.347 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.002 -0.987 4.351 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.034 -1.032 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.308 0.293 2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.556 -1.323 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.998 1.424 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.589 0.641 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.930 1.282 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.561 0.330 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.156 -0.446 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.905 1.196 0.504 1.00 0.00 H new ATOM 530 N ALA A 50 -2.763 -2.166 5.925 1.00 0.00 N ATOM 531 CA ALA A 50 -3.820 -2.413 6.886 1.00 0.00 C ATOM 532 C ALA A 50 -4.629 -1.144 7.126 1.00 0.00 C ATOM 533 O ALA A 50 -5.818 -1.200 7.441 1.00 0.00 O ATOM 534 CB ALA A 50 -3.232 -2.933 8.189 1.00 0.00 C ATOM 0 H ALA A 50 -1.829 -2.413 6.251 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.491 -3.172 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.035 -3.115 8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.696 -3.863 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.543 -2.194 8.598 1.00 0.00 H new ATOM 540 N ASN A 51 -3.970 0.004 6.963 1.00 0.00 N ATOM 541 CA ASN A 51 -4.617 1.296 7.148 1.00 0.00 C ATOM 542 C ASN A 51 -4.038 2.335 6.199 1.00 0.00 C ATOM 543 O ASN A 51 -3.014 2.109 5.556 1.00 0.00 O ATOM 544 CB ASN A 51 -4.463 1.776 8.594 1.00 0.00 C ATOM 545 CG ASN A 51 -5.185 0.883 9.580 1.00 0.00 C ATOM 546 OD1 ASN A 51 -4.641 0.520 10.623 1.00 0.00 O ATOM 547 ND2 ASN A 51 -6.416 0.529 9.250 1.00 0.00 N ATOM 0 H ASN A 51 -2.986 0.061 6.702 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.677 1.171 6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.404 1.814 8.850 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.848 2.792 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.958 -0.071 9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.823 0.856 8.374 1.00 0.00 H new ATOM 554 N MET A 52 -4.710 3.475 6.118 1.00 0.00 N ATOM 555 CA MET A 52 -4.280 4.558 5.248 1.00 0.00 C ATOM 556 C MET A 52 -5.010 5.852 5.593 1.00 0.00 C ATOM 557 O MET A 52 -6.223 5.857 5.793 1.00 0.00 O ATOM 558 CB MET A 52 -4.522 4.188 3.792 1.00 0.00 C ATOM 559 CG MET A 52 -4.032 5.242 2.809 1.00 0.00 C ATOM 560 SD MET A 52 -5.346 5.875 1.753 1.00 0.00 S ATOM 561 CE MET A 52 -6.279 4.377 1.468 1.00 0.00 C ATOM 0 H MET A 52 -5.559 3.673 6.647 1.00 0.00 H new ATOM 0 HA MET A 52 -3.212 4.718 5.399 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.023 3.243 3.578 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.589 4.027 3.639 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.586 6.069 3.362 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.246 4.814 2.187 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.911 4.504 0.589 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.592 3.546 1.305 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.904 4.167 2.336 1.00 0.00 H new ATOM 571 N MET A 53 -4.259 6.948 5.667 1.00 0.00 N ATOM 572 CA MET A 53 -4.832 8.249 5.994 1.00 0.00 C ATOM 573 C MET A 53 -5.986 8.596 5.056 1.00 0.00 C ATOM 574 O MET A 53 -5.841 8.555 3.834 1.00 0.00 O ATOM 575 CB MET A 53 -3.753 9.333 5.924 1.00 0.00 C ATOM 576 CG MET A 53 -3.664 10.184 7.181 1.00 0.00 C ATOM 577 SD MET A 53 -1.962 10.562 7.648 1.00 0.00 S ATOM 578 CE MET A 53 -1.533 9.095 8.582 1.00 0.00 C ATOM 0 H MET A 53 -3.252 6.960 5.505 1.00 0.00 H new ATOM 0 HA MET A 53 -5.225 8.199 7.010 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.787 8.861 5.745 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.955 9.980 5.070 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.208 11.115 7.024 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.155 9.663 8.003 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.678 9.309 9.224 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.381 8.794 9.196 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.278 8.288 7.895 1.00 0.00 H new ATOM 588 N HIS A 54 -7.132 8.937 5.639 1.00 0.00 N ATOM 589 CA HIS A 54 -8.313 9.291 4.860 1.00 0.00 C ATOM 590 C HIS A 54 -8.159 10.674 4.235 1.00 0.00 C ATOM 591 O HIS A 54 -8.846 11.621 4.619 1.00 0.00 O ATOM 592 CB HIS A 54 -9.562 9.251 5.742 1.00 0.00 C ATOM 593 CG HIS A 54 -10.842 9.234 4.967 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.650 10.342 4.825 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.455 8.235 4.287 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.705 10.026 4.093 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.608 8.754 3.755 1.00 0.00 N ATOM 0 H HIS A 54 -7.267 8.975 6.649 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.421 8.561 4.058 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.520 8.366 6.377 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.558 10.118 6.402 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.102 7.220 4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.508 10.694 3.819 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -13.282 8.239 3.189 1.00 0.00 H new ATOM 606 N GLY A 55 -7.253 10.783 3.269 1.00 0.00 N ATOM 607 CA GLY A 55 -7.024 12.052 2.606 1.00 0.00 C ATOM 608 C GLY A 55 -5.548 12.361 2.435 1.00 0.00 C ATOM 609 O GLY A 55 -5.171 13.162 1.579 1.00 0.00 O ATOM 0 H GLY A 55 -6.673 10.014 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.505 12.039 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.494 12.849 3.182 1.00 0.00 H new ATOM 613 N GLY A 56 -4.713 11.726 3.250 1.00 0.00 N ATOM 614 CA GLY A 56 -3.281 11.951 3.169 1.00 0.00 C ATOM 615 C GLY A 56 -2.716 11.630 1.798 1.00 0.00 C ATOM 616 O GLY A 56 -3.465 11.296 0.878 1.00 0.00 O ATOM 0 H GLY A 56 -5.002 11.059 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.066 12.992 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.778 11.339 3.918 1.00 0.00 H new ATOM 620 N PRO A 57 -1.386 11.724 1.629 1.00 0.00 N ATOM 621 CA PRO A 57 -0.726 11.441 0.348 1.00 0.00 C ATOM 622 C PRO A 57 -1.190 10.130 -0.278 1.00 0.00 C ATOM 623 O PRO A 57 -1.446 10.065 -1.481 1.00 0.00 O ATOM 624 CB PRO A 57 0.750 11.366 0.731 1.00 0.00 C ATOM 625 CG PRO A 57 0.870 12.270 1.907 1.00 0.00 C ATOM 626 CD PRO A 57 -0.417 12.119 2.670 1.00 0.00 C ATOM 0 HA PRO A 57 -0.951 12.197 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.045 10.347 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.391 11.692 -0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.726 11.997 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.020 13.303 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.335 11.363 3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.707 13.050 3.157 1.00 0.00 H new ATOM 634 N ALA A 58 -1.295 9.085 0.538 1.00 0.00 N ATOM 635 CA ALA A 58 -1.726 7.783 0.054 1.00 0.00 C ATOM 636 C ALA A 58 -3.108 7.862 -0.580 1.00 0.00 C ATOM 637 O ALA A 58 -3.319 7.381 -1.693 1.00 0.00 O ATOM 638 CB ALA A 58 -1.722 6.768 1.184 1.00 0.00 C ATOM 0 H ALA A 58 -1.087 9.117 1.536 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.020 7.460 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.047 5.799 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.714 6.679 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.402 7.096 1.970 1.00 0.00 H new ATOM 644 N GLU A 59 -4.048 8.477 0.131 1.00 0.00 N ATOM 645 CA GLU A 59 -5.406 8.623 -0.369 1.00 0.00 C ATOM 646 C GLU A 59 -5.452 9.643 -1.498 1.00 0.00 C ATOM 647 O GLU A 59 -6.286 9.557 -2.400 1.00 0.00 O ATOM 648 CB GLU A 59 -6.344 9.051 0.759 1.00 0.00 C ATOM 649 CG GLU A 59 -7.790 9.191 0.321 1.00 0.00 C ATOM 650 CD GLU A 59 -8.766 8.651 1.347 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.936 7.415 1.410 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.361 9.462 2.086 1.00 0.00 O ATOM 0 H GLU A 59 -3.892 8.881 1.054 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.735 7.658 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.286 8.321 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.001 10.003 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.009 10.242 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.932 8.664 -0.623 1.00 0.00 H new ATOM 659 N LYS A 60 -4.544 10.606 -1.435 1.00 0.00 N ATOM 660 CA LYS A 60 -4.459 11.654 -2.438 1.00 0.00 C ATOM 661 C LYS A 60 -4.124 11.073 -3.807 1.00 0.00 C ATOM 662 O LYS A 60 -4.770 11.393 -4.805 1.00 0.00 O ATOM 663 CB LYS A 60 -3.402 12.686 -2.038 1.00 0.00 C ATOM 664 CG LYS A 60 -3.964 13.863 -1.259 1.00 0.00 C ATOM 665 CD LYS A 60 -3.185 15.138 -1.539 1.00 0.00 C ATOM 666 CE LYS A 60 -1.943 15.235 -0.667 1.00 0.00 C ATOM 667 NZ LYS A 60 -2.284 15.448 0.766 1.00 0.00 N ATOM 0 H LYS A 60 -3.850 10.682 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.431 12.143 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.637 12.195 -1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.911 13.058 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.011 14.009 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.933 13.643 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.896 15.166 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.824 16.003 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.356 14.322 -0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.317 16.056 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.460 15.840 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.080 16.113 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.551 14.540 1.198 1.00 0.00 H new ATOM 681 N SER A 61 -3.109 10.216 -3.844 1.00 0.00 N ATOM 682 CA SER A 61 -2.682 9.584 -5.085 1.00 0.00 C ATOM 683 C SER A 61 -3.855 8.906 -5.783 1.00 0.00 C ATOM 684 O SER A 61 -3.961 8.930 -7.010 1.00 0.00 O ATOM 685 CB SER A 61 -1.585 8.557 -4.803 1.00 0.00 C ATOM 686 OG SER A 61 -2.086 7.471 -4.045 1.00 0.00 O ATOM 0 H SER A 61 -2.566 9.943 -3.025 1.00 0.00 H new ATOM 0 HA SER A 61 -2.290 10.360 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.176 8.190 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.766 9.034 -4.264 1.00 0.00 H new ATOM 0 HG SER A 61 -2.426 7.800 -3.187 1.00 0.00 H new ATOM 692 N GLY A 62 -4.729 8.299 -4.991 1.00 0.00 N ATOM 693 CA GLY A 62 -5.883 7.617 -5.544 1.00 0.00 C ATOM 694 C GLY A 62 -5.537 6.238 -6.072 1.00 0.00 C ATOM 695 O GLY A 62 -6.281 5.666 -6.869 1.00 0.00 O ATOM 0 H GLY A 62 -4.659 8.267 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.652 7.528 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.305 8.217 -6.350 1.00 0.00 H new ATOM 699 N LYS A 63 -4.405 5.703 -5.625 1.00 0.00 N ATOM 700 CA LYS A 63 -3.959 4.383 -6.058 1.00 0.00 C ATOM 701 C LYS A 63 -3.916 3.416 -4.883 1.00 0.00 C ATOM 702 O LYS A 63 -4.483 2.325 -4.940 1.00 0.00 O ATOM 703 CB LYS A 63 -2.571 4.463 -6.702 1.00 0.00 C ATOM 704 CG LYS A 63 -2.302 5.759 -7.454 1.00 0.00 C ATOM 705 CD LYS A 63 -2.814 5.692 -8.883 1.00 0.00 C ATOM 706 CE LYS A 63 -4.315 5.918 -8.947 1.00 0.00 C ATOM 707 NZ LYS A 63 -4.805 5.995 -10.351 1.00 0.00 N ATOM 0 H LYS A 63 -3.780 6.163 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.674 4.017 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.816 4.344 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.454 3.626 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.781 6.589 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.231 5.962 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.306 6.442 -9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.573 4.719 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.827 5.108 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.566 6.841 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.833 6.150 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.336 6.784 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.589 5.105 -10.844 1.00 0.00 H new ATOM 721 N LEU A 64 -3.225 3.819 -3.820 1.00 0.00 N ATOM 722 CA LEU A 64 -3.097 2.983 -2.634 1.00 0.00 C ATOM 723 C LEU A 64 -4.358 3.027 -1.781 1.00 0.00 C ATOM 724 O LEU A 64 -4.768 4.087 -1.310 1.00 0.00 O ATOM 725 CB LEU A 64 -1.890 3.415 -1.796 1.00 0.00 C ATOM 726 CG LEU A 64 -0.558 2.761 -2.172 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.501 3.064 -1.123 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.719 1.255 -2.347 1.00 0.00 C ATOM 0 H LEU A 64 -2.747 4.718 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.949 1.958 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.780 4.496 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.100 3.196 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.234 3.180 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.441 2.591 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.645 4.142 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.178 2.676 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.242 0.815 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.073 0.816 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.442 1.056 -3.138 1.00 0.00 H new ATOM 740 N ASN A 65 -4.958 1.862 -1.583 1.00 0.00 N ATOM 741 CA ASN A 65 -6.167 1.743 -0.780 1.00 0.00 C ATOM 742 C ASN A 65 -6.007 0.640 0.259 1.00 0.00 C ATOM 743 O ASN A 65 -5.524 -0.448 -0.056 1.00 0.00 O ATOM 744 CB ASN A 65 -7.376 1.452 -1.670 1.00 0.00 C ATOM 745 CG ASN A 65 -7.414 2.332 -2.904 1.00 0.00 C ATOM 746 OD1 ASN A 65 -7.763 3.510 -2.832 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.054 1.762 -4.048 1.00 0.00 N ATOM 0 H ASN A 65 -4.624 0.979 -1.971 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.332 2.690 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.355 0.406 -1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.290 1.599 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.060 2.304 -4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.771 0.782 -4.063 1.00 0.00 H new ATOM 754 N ILE A 66 -6.411 0.930 1.497 1.00 0.00 N ATOM 755 CA ILE A 66 -6.318 -0.030 2.596 1.00 0.00 C ATOM 756 C ILE A 66 -6.523 -1.468 2.112 1.00 0.00 C ATOM 757 O ILE A 66 -7.546 -1.794 1.512 1.00 0.00 O ATOM 758 CB ILE A 66 -7.335 0.313 3.700 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.800 1.479 4.527 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.614 -0.893 4.589 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.636 1.795 5.740 1.00 0.00 C ATOM 0 H ILE A 66 -6.809 1.830 1.764 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.311 0.040 3.008 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.279 0.598 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.784 1.250 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.743 2.365 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.336 -0.619 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.019 -1.705 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.687 -1.219 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.194 2.634 6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.647 2.056 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.672 0.924 6.394 1.00 0.00 H new ATOM 773 N GLY A 67 -5.529 -2.312 2.367 1.00 0.00 N ATOM 774 CA GLY A 67 -5.598 -3.696 1.940 1.00 0.00 C ATOM 775 C GLY A 67 -4.800 -3.945 0.672 1.00 0.00 C ATOM 776 O GLY A 67 -4.781 -5.059 0.150 1.00 0.00 O ATOM 0 H GLY A 67 -4.674 -2.060 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.223 -4.339 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.639 -3.971 1.772 1.00 0.00 H new ATOM 780 N ASP A 68 -4.135 -2.900 0.181 1.00 0.00 N ATOM 781 CA ASP A 68 -3.326 -2.999 -1.026 1.00 0.00 C ATOM 782 C ASP A 68 -1.998 -3.682 -0.727 1.00 0.00 C ATOM 783 O ASP A 68 -1.225 -3.218 0.112 1.00 0.00 O ATOM 784 CB ASP A 68 -3.101 -1.609 -1.617 1.00 0.00 C ATOM 785 CG ASP A 68 -4.118 -1.269 -2.690 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.869 -2.174 -3.107 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.162 -0.094 -3.114 1.00 0.00 O ATOM 0 H ASP A 68 -4.143 -1.972 0.605 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.858 -3.607 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.153 -0.866 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.098 -1.554 -2.040 1.00 0.00 H new ATOM 792 N GLN A 69 -1.744 -4.796 -1.407 1.00 0.00 N ATOM 793 CA GLN A 69 -0.512 -5.548 -1.201 1.00 0.00 C ATOM 794 C GLN A 69 0.663 -4.865 -1.888 1.00 0.00 C ATOM 795 O GLN A 69 0.998 -5.181 -3.030 1.00 0.00 O ATOM 796 CB GLN A 69 -0.666 -6.978 -1.722 1.00 0.00 C ATOM 797 CG GLN A 69 -0.030 -8.022 -0.820 1.00 0.00 C ATOM 798 CD GLN A 69 0.862 -8.985 -1.578 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.248 -8.729 -2.719 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.195 -10.105 -0.945 1.00 0.00 N ATOM 0 H GLN A 69 -2.373 -5.196 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.312 -5.582 -0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.727 -7.203 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.219 -7.045 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.555 -7.522 -0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.814 -8.583 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.853 -10.277 0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.793 -10.792 -1.404 1.00 0.00 H new ATOM 809 N ILE A 70 1.285 -3.925 -1.186 1.00 0.00 N ATOM 810 CA ILE A 70 2.423 -3.192 -1.727 1.00 0.00 C ATOM 811 C ILE A 70 3.591 -4.133 -2.012 1.00 0.00 C ATOM 812 O ILE A 70 3.821 -5.088 -1.274 1.00 0.00 O ATOM 813 CB ILE A 70 2.883 -2.080 -0.766 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.660 -1.359 -0.169 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.804 -1.105 -1.490 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.942 0.057 0.298 1.00 0.00 C ATOM 0 H ILE A 70 1.020 -3.652 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 70 2.096 -2.734 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 70 3.446 -2.525 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.867 -1.332 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.285 -1.940 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.122 -0.324 -0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.679 -1.639 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.271 -0.654 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.030 0.494 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.712 0.039 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.287 0.656 -0.545 1.00 0.00 H new ATOM 828 N MET A 71 4.317 -3.865 -3.096 1.00 0.00 N ATOM 829 CA MET A 71 5.447 -4.706 -3.479 1.00 0.00 C ATOM 830 C MET A 71 6.781 -3.986 -3.288 1.00 0.00 C ATOM 831 O MET A 71 7.756 -4.592 -2.847 1.00 0.00 O ATOM 832 CB MET A 71 5.302 -5.150 -4.936 1.00 0.00 C ATOM 833 CG MET A 71 5.719 -6.594 -5.174 1.00 0.00 C ATOM 834 SD MET A 71 4.312 -7.700 -5.393 1.00 0.00 S ATOM 835 CE MET A 71 3.645 -7.736 -3.730 1.00 0.00 C ATOM 0 H MET A 71 4.144 -3.077 -3.720 1.00 0.00 H new ATOM 0 HA MET A 71 5.442 -5.580 -2.827 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.264 -5.024 -5.244 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.904 -4.497 -5.568 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.355 -6.643 -6.058 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.318 -6.938 -4.331 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.457 -8.769 -3.436 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.360 -7.287 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.711 -7.175 -3.700 1.00 0.00 H new ATOM 845 N SER A 72 6.827 -2.699 -3.625 1.00 0.00 N ATOM 846 CA SER A 72 8.058 -1.930 -3.487 1.00 0.00 C ATOM 847 C SER A 72 7.771 -0.434 -3.446 1.00 0.00 C ATOM 848 O SER A 72 6.737 0.020 -3.935 1.00 0.00 O ATOM 849 CB SER A 72 9.010 -2.244 -4.643 1.00 0.00 C ATOM 850 OG SER A 72 8.543 -1.681 -5.855 1.00 0.00 O ATOM 0 H SER A 72 6.034 -2.172 -3.992 1.00 0.00 H new ATOM 0 HA SER A 72 8.527 -2.215 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.003 -1.855 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.108 -3.324 -4.754 1.00 0.00 H new ATOM 0 HG SER A 72 9.170 -1.894 -6.578 1.00 0.00 H new ATOM 856 N ILE A 73 8.693 0.328 -2.865 1.00 0.00 N ATOM 857 CA ILE A 73 8.535 1.774 -2.763 1.00 0.00 C ATOM 858 C ILE A 73 9.677 2.512 -3.453 1.00 0.00 C ATOM 859 O ILE A 73 10.849 2.282 -3.158 1.00 0.00 O ATOM 860 CB ILE A 73 8.451 2.223 -1.297 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.325 1.477 -0.592 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.230 3.726 -1.212 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.652 1.109 0.832 1.00 0.00 C ATOM 0 H ILE A 73 9.556 -0.032 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 73 7.601 2.024 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 73 9.393 1.989 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.427 2.095 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.095 0.570 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.173 4.027 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.060 4.244 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.299 3.986 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.807 0.581 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.532 0.466 0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.854 2.014 1.405 1.00 0.00 H new ATOM 875 N ASN A 74 9.321 3.403 -4.377 1.00 0.00 N ATOM 876 CA ASN A 74 10.307 4.186 -5.120 1.00 0.00 C ATOM 877 C ASN A 74 11.445 3.300 -5.626 1.00 0.00 C ATOM 878 O ASN A 74 12.579 3.752 -5.773 1.00 0.00 O ATOM 879 CB ASN A 74 10.866 5.306 -4.239 1.00 0.00 C ATOM 880 CG ASN A 74 10.360 6.674 -4.652 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.322 7.002 -5.838 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.966 7.480 -3.672 1.00 0.00 N ATOM 0 H ASN A 74 8.353 3.601 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 74 9.808 4.626 -5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.592 5.119 -3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.955 5.294 -4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.614 8.413 -3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.015 7.166 -2.703 1.00 0.00 H new ATOM 889 N GLY A 75 11.130 2.035 -5.885 1.00 0.00 N ATOM 890 CA GLY A 75 12.134 1.105 -6.364 1.00 0.00 C ATOM 891 C GLY A 75 12.780 0.322 -5.237 1.00 0.00 C ATOM 892 O GLY A 75 13.901 -0.169 -5.377 1.00 0.00 O ATOM 0 H GLY A 75 10.197 1.638 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.676 0.411 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.902 1.653 -6.909 1.00 0.00 H new ATOM 896 N THR A 76 12.072 0.208 -4.117 1.00 0.00 N ATOM 897 CA THR A 76 12.583 -0.521 -2.962 1.00 0.00 C ATOM 898 C THR A 76 11.669 -1.687 -2.607 1.00 0.00 C ATOM 899 O THR A 76 10.672 -1.517 -1.905 1.00 0.00 O ATOM 900 CB THR A 76 12.721 0.415 -1.764 1.00 0.00 C ATOM 901 OG1 THR A 76 13.550 1.518 -2.082 1.00 0.00 O ATOM 902 CG2 THR A 76 13.300 -0.259 -0.540 1.00 0.00 C ATOM 0 H THR A 76 11.144 0.611 -3.985 1.00 0.00 H new ATOM 0 HA THR A 76 13.565 -0.918 -3.220 1.00 0.00 H new ATOM 0 HB THR A 76 11.706 0.738 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.023 2.198 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.371 0.463 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.654 -1.083 -0.239 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.294 -0.643 -0.772 1.00 0.00 H new ATOM 910 N SER A 77 12.015 -2.873 -3.098 1.00 0.00 N ATOM 911 CA SER A 77 11.225 -4.070 -2.833 1.00 0.00 C ATOM 912 C SER A 77 11.066 -4.297 -1.335 1.00 0.00 C ATOM 913 O SER A 77 12.013 -4.123 -0.568 1.00 0.00 O ATOM 914 CB SER A 77 11.880 -5.292 -3.479 1.00 0.00 C ATOM 915 OG SER A 77 11.115 -6.462 -3.251 1.00 0.00 O ATOM 0 H SER A 77 12.837 -3.031 -3.681 1.00 0.00 H new ATOM 0 HA SER A 77 10.236 -3.925 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.987 -5.127 -4.551 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.884 -5.426 -3.076 1.00 0.00 H new ATOM 0 HG SER A 77 11.554 -7.228 -3.676 1.00 0.00 H new ATOM 921 N LEU A 78 9.864 -4.685 -0.924 1.00 0.00 N ATOM 922 CA LEU A 78 9.582 -4.936 0.485 1.00 0.00 C ATOM 923 C LEU A 78 9.397 -6.426 0.756 1.00 0.00 C ATOM 924 O LEU A 78 9.072 -6.825 1.874 1.00 0.00 O ATOM 925 CB LEU A 78 8.331 -4.174 0.913 1.00 0.00 C ATOM 926 CG LEU A 78 8.489 -2.657 0.958 1.00 0.00 C ATOM 927 CD1 LEU A 78 7.139 -1.975 0.796 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.158 -2.233 2.256 1.00 0.00 C ATOM 0 H LEU A 78 9.069 -4.833 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 78 10.436 -4.587 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.520 -4.420 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.030 -4.523 1.901 1.00 0.00 H new ATOM 0 HG LEU A 78 9.126 -2.349 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.271 -0.894 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.702 -2.257 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.475 -2.285 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.264 -1.148 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.548 -2.552 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.143 -2.695 2.325 1.00 0.00 H new ATOM 940 N VAL A 79 9.603 -7.244 -0.270 1.00 0.00 N ATOM 941 CA VAL A 79 9.457 -8.686 -0.134 1.00 0.00 C ATOM 942 C VAL A 79 10.694 -9.303 0.508 1.00 0.00 C ATOM 943 O VAL A 79 11.813 -9.105 0.035 1.00 0.00 O ATOM 944 CB VAL A 79 9.225 -9.355 -1.500 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.677 -10.762 -1.319 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.289 -8.518 -2.361 1.00 0.00 C ATOM 0 H VAL A 79 9.871 -6.932 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 79 8.590 -8.858 0.504 1.00 0.00 H new ATOM 0 HB VAL A 79 10.184 -9.424 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.519 -11.219 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.389 -11.359 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.730 -10.717 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.140 -9.011 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.329 -8.410 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.727 -7.533 -2.523 1.00 0.00 H new ATOM 956 N GLY A 80 10.486 -10.056 1.582 1.00 0.00 N ATOM 957 CA GLY A 80 11.596 -10.692 2.263 1.00 0.00 C ATOM 958 C GLY A 80 12.036 -9.939 3.503 1.00 0.00 C ATOM 959 O GLY A 80 12.605 -10.527 4.423 1.00 0.00 O ATOM 0 H GLY A 80 9.570 -10.237 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.312 -11.707 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.438 -10.774 1.576 1.00 0.00 H new ATOM 963 N LEU A 81 11.775 -8.634 3.536 1.00 0.00 N ATOM 964 CA LEU A 81 12.159 -7.819 4.687 1.00 0.00 C ATOM 965 C LEU A 81 11.022 -7.737 5.704 1.00 0.00 C ATOM 966 O LEU A 81 9.846 -7.755 5.338 1.00 0.00 O ATOM 967 CB LEU A 81 12.586 -6.410 4.256 1.00 0.00 C ATOM 968 CG LEU A 81 11.828 -5.809 3.069 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.859 -4.291 3.142 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.426 -6.294 1.754 1.00 0.00 C ATOM 0 H LEU A 81 11.305 -8.123 2.789 1.00 0.00 H new ATOM 0 HA LEU A 81 13.013 -8.305 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.473 -5.741 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.647 -6.434 4.009 1.00 0.00 H new ATOM 0 HG LEU A 81 10.790 -6.138 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.317 -3.875 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.390 -3.962 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.893 -3.947 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.875 -5.857 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.472 -5.991 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.359 -7.381 1.703 1.00 0.00 H new ATOM 982 N PRO A 82 11.362 -7.649 7.002 1.00 0.00 N ATOM 983 CA PRO A 82 10.370 -7.572 8.081 1.00 0.00 C ATOM 984 C PRO A 82 9.580 -6.268 8.060 1.00 0.00 C ATOM 985 O PRO A 82 9.870 -5.366 7.273 1.00 0.00 O ATOM 986 CB PRO A 82 11.213 -7.663 9.355 1.00 0.00 C ATOM 987 CG PRO A 82 12.567 -7.194 8.950 1.00 0.00 C ATOM 988 CD PRO A 82 12.743 -7.627 7.522 1.00 0.00 C ATOM 0 HA PRO A 82 9.620 -8.358 7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.800 -7.040 10.148 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.246 -8.684 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.649 -6.111 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.337 -7.628 9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.372 -6.932 6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.214 -8.607 7.454 1.00 0.00 H new ATOM 996 N LEU A 83 8.580 -6.180 8.930 1.00 0.00 N ATOM 997 CA LEU A 83 7.739 -4.992 9.020 1.00 0.00 C ATOM 998 C LEU A 83 8.556 -3.768 9.424 1.00 0.00 C ATOM 999 O LEU A 83 8.309 -2.660 8.945 1.00 0.00 O ATOM 1000 CB LEU A 83 6.609 -5.223 10.026 1.00 0.00 C ATOM 1001 CG LEU A 83 5.791 -3.981 10.379 1.00 0.00 C ATOM 1002 CD1 LEU A 83 5.188 -3.364 9.125 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.703 -4.327 11.383 1.00 0.00 C ATOM 0 H LEU A 83 8.331 -6.921 9.586 1.00 0.00 H new ATOM 0 HA LEU A 83 7.311 -4.805 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.936 -5.981 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.037 -5.630 10.942 1.00 0.00 H new ATOM 0 HG LEU A 83 6.457 -3.248 10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.609 -2.481 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.986 -3.078 8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.536 -4.090 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.131 -3.431 11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.039 -5.078 10.955 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.158 -4.721 12.292 1.00 0.00 H new ATOM 1015 N SER A 84 9.527 -3.970 10.308 1.00 0.00 N ATOM 1016 CA SER A 84 10.376 -2.879 10.776 1.00 0.00 C ATOM 1017 C SER A 84 11.008 -2.137 9.602 1.00 0.00 C ATOM 1018 O SER A 84 11.006 -0.907 9.556 1.00 0.00 O ATOM 1019 CB SER A 84 11.467 -3.416 11.703 1.00 0.00 C ATOM 1020 OG SER A 84 12.029 -4.612 11.192 1.00 0.00 O ATOM 0 H SER A 84 9.746 -4.879 10.715 1.00 0.00 H new ATOM 0 HA SER A 84 9.751 -2.178 11.330 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.249 -2.666 11.822 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.049 -3.601 12.692 1.00 0.00 H new ATOM 0 HG SER A 84 12.725 -4.933 11.803 1.00 0.00 H new ATOM 1026 N THR A 85 11.545 -2.897 8.652 1.00 0.00 N ATOM 1027 CA THR A 85 12.177 -2.314 7.477 1.00 0.00 C ATOM 1028 C THR A 85 11.156 -1.574 6.620 1.00 0.00 C ATOM 1029 O THR A 85 11.410 -0.464 6.160 1.00 0.00 O ATOM 1030 CB THR A 85 12.863 -3.399 6.653 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.541 -4.317 7.494 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.869 -2.854 5.662 1.00 0.00 C ATOM 0 H THR A 85 11.554 -3.917 8.674 1.00 0.00 H new ATOM 0 HA THR A 85 12.925 -1.597 7.815 1.00 0.00 H new ATOM 0 HB THR A 85 12.062 -3.889 6.100 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.217 -4.799 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.319 -3.679 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.367 -2.182 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.646 -2.308 6.196 1.00 0.00 H new ATOM 1040 N CYS A 86 9.998 -2.194 6.416 1.00 0.00 N ATOM 1041 CA CYS A 86 8.937 -1.592 5.613 1.00 0.00 C ATOM 1042 C CYS A 86 8.542 -0.231 6.172 1.00 0.00 C ATOM 1043 O CYS A 86 8.597 0.777 5.467 1.00 0.00 O ATOM 1044 CB CYS A 86 7.718 -2.515 5.560 1.00 0.00 C ATOM 1045 SG CYS A 86 8.117 -4.248 5.235 1.00 0.00 S ATOM 0 H CYS A 86 9.770 -3.113 6.795 1.00 0.00 H new ATOM 0 HA CYS A 86 9.315 -1.452 4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.184 -2.448 6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.039 -2.158 4.785 1.00 0.00 H new ATOM 0 HG CYS A 86 8.664 -4.773 6.291 1.00 0.00 H new ATOM 1051 N GLN A 87 8.158 -0.200 7.444 1.00 0.00 N ATOM 1052 CA GLN A 87 7.769 1.039 8.094 1.00 0.00 C ATOM 1053 C GLN A 87 8.809 2.125 7.857 1.00 0.00 C ATOM 1054 O GLN A 87 8.493 3.218 7.388 1.00 0.00 O ATOM 1055 CB GLN A 87 7.612 0.791 9.589 1.00 0.00 C ATOM 1056 CG GLN A 87 6.197 0.985 10.076 1.00 0.00 C ATOM 1057 CD GLN A 87 5.369 -0.281 9.994 1.00 0.00 C ATOM 1058 OE1 GLN A 87 5.553 -1.210 10.780 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.447 -0.321 9.040 1.00 0.00 N ATOM 0 H GLN A 87 8.109 -1.024 8.044 1.00 0.00 H new ATOM 0 HA GLN A 87 6.822 1.377 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.933 -0.225 9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.273 1.465 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.218 1.334 11.108 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.718 1.766 9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.330 0.473 8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.856 -1.146 8.936 1.00 0.00 H new ATOM 1068 N SER A 88 10.049 1.806 8.190 1.00 0.00 N ATOM 1069 CA SER A 88 11.157 2.738 8.025 1.00 0.00 C ATOM 1070 C SER A 88 11.233 3.269 6.595 1.00 0.00 C ATOM 1071 O SER A 88 11.508 4.449 6.379 1.00 0.00 O ATOM 1072 CB SER A 88 12.476 2.063 8.403 1.00 0.00 C ATOM 1073 OG SER A 88 12.363 1.371 9.633 1.00 0.00 O ATOM 0 H SER A 88 10.317 0.902 8.579 1.00 0.00 H new ATOM 0 HA SER A 88 10.982 3.584 8.689 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.770 1.367 7.617 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.264 2.813 8.476 1.00 0.00 H new ATOM 0 HG SER A 88 12.158 0.428 9.460 1.00 0.00 H new ATOM 1079 N ILE A 89 10.990 2.397 5.620 1.00 0.00 N ATOM 1080 CA ILE A 89 11.030 2.787 4.224 1.00 0.00 C ATOM 1081 C ILE A 89 9.980 3.852 3.944 1.00 0.00 C ATOM 1082 O ILE A 89 10.212 4.769 3.165 1.00 0.00 O ATOM 1083 CB ILE A 89 10.809 1.568 3.300 1.00 0.00 C ATOM 1084 CG1 ILE A 89 12.034 0.649 3.358 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.532 2.014 1.868 1.00 0.00 C ATOM 1086 CD1 ILE A 89 12.058 -0.428 2.293 1.00 0.00 C ATOM 0 H ILE A 89 10.763 1.415 5.777 1.00 0.00 H new ATOM 0 HA ILE A 89 12.018 3.198 4.016 1.00 0.00 H new ATOM 0 HB ILE A 89 9.936 1.016 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.934 1.257 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 89 12.071 0.174 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.380 1.138 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.637 2.636 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.381 2.587 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.958 -1.032 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.179 -1.063 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.055 0.036 1.307 1.00 0.00 H new ATOM 1098 N ILE A 90 8.831 3.726 4.591 1.00 0.00 N ATOM 1099 CA ILE A 90 7.752 4.688 4.414 1.00 0.00 C ATOM 1100 C ILE A 90 8.021 5.963 5.205 1.00 0.00 C ATOM 1101 O ILE A 90 7.832 7.070 4.700 1.00 0.00 O ATOM 1102 CB ILE A 90 6.398 4.111 4.851 1.00 0.00 C ATOM 1103 CG1 ILE A 90 6.251 2.677 4.333 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.269 4.998 4.348 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.845 2.125 4.433 1.00 0.00 C ATOM 0 H ILE A 90 8.621 2.969 5.242 1.00 0.00 H new ATOM 0 HA ILE A 90 7.711 4.918 3.349 1.00 0.00 H new ATOM 0 HB ILE A 90 6.348 4.085 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.570 2.644 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.925 2.029 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.312 4.582 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.382 6.000 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.303 5.048 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.826 1.106 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.528 2.123 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.167 2.748 3.849 1.00 0.00 H new ATOM 1117 N LYS A 91 8.461 5.797 6.448 1.00 0.00 N ATOM 1118 CA LYS A 91 8.753 6.934 7.311 1.00 0.00 C ATOM 1119 C LYS A 91 9.870 7.786 6.720 1.00 0.00 C ATOM 1120 O LYS A 91 9.770 9.012 6.669 1.00 0.00 O ATOM 1121 CB LYS A 91 9.143 6.451 8.711 1.00 0.00 C ATOM 1122 CG LYS A 91 8.078 6.713 9.764 1.00 0.00 C ATOM 1123 CD LYS A 91 7.557 5.418 10.368 1.00 0.00 C ATOM 1124 CE LYS A 91 6.604 4.708 9.420 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.179 4.978 9.759 1.00 0.00 N ATOM 0 H LYS A 91 8.623 4.887 6.879 1.00 0.00 H new ATOM 0 HA LYS A 91 7.855 7.547 7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.349 5.381 8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.068 6.943 9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.492 7.342 10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.251 7.265 9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.395 4.762 10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.046 5.632 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.801 5.031 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.789 3.634 9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.562 4.476 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.983 4.647 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.996 6.000 9.699 1.00 0.00 H new ATOM 1139 N GLY A 92 10.931 7.126 6.269 1.00 0.00 N ATOM 1140 CA GLY A 92 12.050 7.835 5.679 1.00 0.00 C ATOM 1141 C GLY A 92 11.647 8.636 4.457 1.00 0.00 C ATOM 1142 O GLY A 92 12.373 9.533 4.028 1.00 0.00 O ATOM 0 H GLY A 92 11.036 6.112 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.485 8.504 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.824 7.120 5.402 1.00 0.00 H new ATOM 1146 N LEU A 93 10.485 8.316 3.894 1.00 0.00 N ATOM 1147 CA LEU A 93 9.987 9.013 2.716 1.00 0.00 C ATOM 1148 C LEU A 93 9.070 10.167 3.103 1.00 0.00 C ATOM 1149 O LEU A 93 8.190 10.554 2.336 1.00 0.00 O ATOM 1150 CB LEU A 93 9.232 8.048 1.806 1.00 0.00 C ATOM 1151 CG LEU A 93 10.040 6.850 1.318 1.00 0.00 C ATOM 1152 CD1 LEU A 93 9.138 5.866 0.593 1.00 0.00 C ATOM 1153 CD2 LEU A 93 11.172 7.309 0.413 1.00 0.00 C ATOM 0 H LEU A 93 9.871 7.577 4.237 1.00 0.00 H new ATOM 0 HA LEU A 93 10.848 9.417 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.355 7.682 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.870 8.600 0.938 1.00 0.00 H new ATOM 0 HG LEU A 93 10.475 6.346 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.728 5.016 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.360 5.517 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.678 6.358 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.740 6.443 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.759 7.834 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.830 7.980 0.965 1.00 0.00 H new ATOM 1165 N LYS A 94 9.278 10.712 4.295 1.00 0.00 N ATOM 1166 CA LYS A 94 8.473 11.808 4.777 1.00 0.00 C ATOM 1167 C LYS A 94 8.905 13.122 4.142 1.00 0.00 C ATOM 1168 O LYS A 94 8.208 14.128 4.257 1.00 0.00 O ATOM 1169 CB LYS A 94 8.578 11.909 6.297 1.00 0.00 C ATOM 1170 CG LYS A 94 7.643 12.943 6.894 1.00 0.00 C ATOM 1171 CD LYS A 94 8.395 13.967 7.728 1.00 0.00 C ATOM 1172 CE LYS A 94 8.270 13.671 9.212 1.00 0.00 C ATOM 1173 NZ LYS A 94 9.558 13.870 9.931 1.00 0.00 N ATOM 0 H LYS A 94 10.004 10.405 4.943 1.00 0.00 H new ATOM 0 HA LYS A 94 7.437 11.615 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.359 10.935 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.604 12.157 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.104 13.451 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.898 12.445 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.447 13.969 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.007 14.964 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.508 14.317 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.933 12.644 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.428 13.657 10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.279 13.235 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.867 14.857 9.822 1.00 0.00 H new ATOM 1187 N ASN A 95 10.059 13.118 3.478 1.00 0.00 N ATOM 1188 CA ASN A 95 10.558 14.330 2.848 1.00 0.00 C ATOM 1189 C ASN A 95 11.063 14.068 1.429 1.00 0.00 C ATOM 1190 O ASN A 95 12.156 14.501 1.059 1.00 0.00 O ATOM 1191 CB ASN A 95 11.670 14.946 3.696 1.00 0.00 C ATOM 1192 CG ASN A 95 11.131 15.769 4.849 1.00 0.00 C ATOM 1193 OD1 ASN A 95 10.973 16.986 4.738 1.00 0.00 O ATOM 1194 ND2 ASN A 95 10.842 15.108 5.964 1.00 0.00 N ATOM 0 H ASN A 95 10.656 12.299 3.365 1.00 0.00 H new ATOM 0 HA ASN A 95 9.726 15.030 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.307 14.152 4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.297 15.576 3.065 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.473 15.609 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.989 14.100 6.012 1.00 0.00 H new ATOM 1201 N GLN A 96 10.259 13.372 0.632 1.00 0.00 N ATOM 1202 CA GLN A 96 10.623 13.073 -0.751 1.00 0.00 C ATOM 1203 C GLN A 96 9.717 13.830 -1.712 1.00 0.00 C ATOM 1204 O GLN A 96 10.137 14.235 -2.795 1.00 0.00 O ATOM 1205 CB GLN A 96 10.524 11.571 -1.037 1.00 0.00 C ATOM 1206 CG GLN A 96 10.811 10.693 0.166 1.00 0.00 C ATOM 1207 CD GLN A 96 12.286 10.642 0.513 1.00 0.00 C ATOM 1208 OE1 GLN A 96 13.129 10.377 -0.344 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.606 10.897 1.777 1.00 0.00 N ATOM 0 H GLN A 96 9.352 13.004 0.918 1.00 0.00 H new ATOM 0 HA GLN A 96 11.656 13.389 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.523 11.347 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.222 11.317 -1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.252 11.066 1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.453 9.683 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.875 11.112 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.583 10.878 2.070 1.00 0.00 H new ATOM 1218 N SER A 97 8.466 14.015 -1.298 1.00 0.00 N ATOM 1219 CA SER A 97 7.475 14.723 -2.104 1.00 0.00 C ATOM 1220 C SER A 97 6.920 13.841 -3.222 1.00 0.00 C ATOM 1221 O SER A 97 6.062 14.277 -3.987 1.00 0.00 O ATOM 1222 CB SER A 97 8.073 16.002 -2.698 1.00 0.00 C ATOM 1223 OG SER A 97 9.065 16.545 -1.846 1.00 0.00 O ATOM 0 H SER A 97 8.112 13.681 -0.401 1.00 0.00 H new ATOM 0 HA SER A 97 6.651 14.988 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.507 15.785 -3.674 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.284 16.737 -2.856 1.00 0.00 H new ATOM 0 HG SER A 97 9.432 17.360 -2.249 1.00 0.00 H new ATOM 1229 N ARG A 98 7.402 12.602 -3.315 1.00 0.00 N ATOM 1230 CA ARG A 98 6.938 11.674 -4.343 1.00 0.00 C ATOM 1231 C ARG A 98 7.259 10.233 -3.948 1.00 0.00 C ATOM 1232 O ARG A 98 8.306 9.963 -3.359 1.00 0.00 O ATOM 1233 CB ARG A 98 7.578 12.007 -5.694 1.00 0.00 C ATOM 1234 CG ARG A 98 6.603 12.584 -6.710 1.00 0.00 C ATOM 1235 CD ARG A 98 7.145 13.853 -7.353 1.00 0.00 C ATOM 1236 NE ARG A 98 7.200 14.968 -6.412 1.00 0.00 N ATOM 1237 CZ ARG A 98 7.632 16.186 -6.730 1.00 0.00 C ATOM 1238 NH1 ARG A 98 8.047 16.450 -7.963 1.00 0.00 N ATOM 1239 NH2 ARG A 98 7.651 17.145 -5.813 1.00 0.00 N ATOM 0 H ARG A 98 8.113 12.219 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 98 5.857 11.777 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.388 12.719 -5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.025 11.103 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.401 11.842 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.653 12.801 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.144 13.661 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.516 14.126 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 98 6.889 14.804 -5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.036 15.717 -8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.377 17.385 -8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.334 16.949 -4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.982 18.078 -6.058 1.00 0.00 H new ATOM 1253 N VAL A 99 6.353 9.309 -4.266 1.00 0.00 N ATOM 1254 CA VAL A 99 6.556 7.901 -3.926 1.00 0.00 C ATOM 1255 C VAL A 99 6.113 6.971 -5.053 1.00 0.00 C ATOM 1256 O VAL A 99 4.922 6.732 -5.243 1.00 0.00 O ATOM 1257 CB VAL A 99 5.804 7.517 -2.638 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.328 6.196 -2.093 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.930 8.618 -1.593 1.00 0.00 C ATOM 0 H VAL A 99 5.479 9.507 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 99 7.628 7.779 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 99 4.748 7.397 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.787 5.938 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.182 5.412 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.391 6.291 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.392 8.327 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.982 8.774 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.507 9.542 -1.986 1.00 0.00 H new ATOM 1269 N LYS A 100 7.090 6.433 -5.780 1.00 0.00 N ATOM 1270 CA LYS A 100 6.813 5.505 -6.873 1.00 0.00 C ATOM 1271 C LYS A 100 6.817 4.077 -6.350 1.00 0.00 C ATOM 1272 O LYS A 100 7.773 3.329 -6.559 1.00 0.00 O ATOM 1273 CB LYS A 100 7.863 5.642 -7.977 1.00 0.00 C ATOM 1274 CG LYS A 100 8.163 7.079 -8.363 1.00 0.00 C ATOM 1275 CD LYS A 100 7.928 7.320 -9.847 1.00 0.00 C ATOM 1276 CE LYS A 100 6.514 6.940 -10.261 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.500 6.125 -11.508 1.00 0.00 N ATOM 0 H LYS A 100 8.081 6.624 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 100 5.833 5.744 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.786 5.164 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.521 5.102 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.534 7.752 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.198 7.315 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.105 8.370 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.646 6.741 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.038 6.380 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.925 7.844 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.518 5.887 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.931 6.669 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.041 5.250 -11.357 1.00 0.00 H new ATOM 1291 N LEU A 101 5.754 3.708 -5.655 1.00 0.00 N ATOM 1292 CA LEU A 101 5.649 2.374 -5.087 1.00 0.00 C ATOM 1293 C LEU A 101 4.658 1.519 -5.867 1.00 0.00 C ATOM 1294 O LEU A 101 3.479 1.857 -5.991 1.00 0.00 O ATOM 1295 CB LEU A 101 5.268 2.454 -3.607 1.00 0.00 C ATOM 1296 CG LEU A 101 3.879 2.998 -3.320 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.460 2.659 -1.897 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.830 4.505 -3.549 1.00 0.00 C ATOM 0 H LEU A 101 4.953 4.312 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 101 6.624 1.892 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.345 1.456 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.998 3.081 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 101 3.178 2.527 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.463 3.056 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.451 1.577 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.166 3.102 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.826 4.873 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.543 4.997 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.086 4.724 -4.586 1.00 0.00 H new ATOM 1310 N ASN A 102 5.153 0.407 -6.403 1.00 0.00 N ATOM 1311 CA ASN A 102 4.326 -0.506 -7.179 1.00 0.00 C ATOM 1312 C ASN A 102 3.670 -1.535 -6.271 1.00 0.00 C ATOM 1313 O ASN A 102 4.333 -2.435 -5.753 1.00 0.00 O ATOM 1314 CB ASN A 102 5.167 -1.206 -8.250 1.00 0.00 C ATOM 1315 CG ASN A 102 4.877 -0.686 -9.644 1.00 0.00 C ATOM 1316 OD1 ASN A 102 5.755 -0.136 -10.308 1.00 0.00 O ATOM 1317 ND2 ASN A 102 3.640 -0.859 -10.095 1.00 0.00 N ATOM 0 H ASN A 102 6.127 0.117 -6.312 1.00 0.00 H new ATOM 0 HA ASN A 102 3.543 0.072 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.225 -1.067 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.973 -2.278 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.386 -0.530 -11.027 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.944 -1.321 -9.510 1.00 0.00 H new ATOM 1324 N ILE A 103 2.366 -1.393 -6.077 1.00 0.00 N ATOM 1325 CA ILE A 103 1.623 -2.310 -5.226 1.00 0.00 C ATOM 1326 C ILE A 103 0.817 -3.299 -6.058 1.00 0.00 C ATOM 1327 O ILE A 103 0.761 -3.194 -7.283 1.00 0.00 O ATOM 1328 CB ILE A 103 0.683 -1.547 -4.271 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.446 -0.864 -5.041 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.465 -0.521 -3.471 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.805 -1.118 -4.440 1.00 0.00 C ATOM 0 H ILE A 103 1.803 -0.653 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 103 2.352 -2.862 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 103 0.240 -2.269 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.262 0.210 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.439 -1.215 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.789 0.010 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.234 -1.025 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.934 0.190 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.565 -0.607 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.007 -2.189 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.827 -0.742 -3.417 1.00 0.00 H new ATOM 1343 N VAL A 104 0.194 -4.259 -5.386 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.606 -5.262 -6.068 1.00 0.00 C ATOM 1345 C VAL A 104 -2.032 -5.299 -5.531 1.00 0.00 C ATOM 1346 O VAL A 104 -2.256 -5.400 -4.321 1.00 0.00 O ATOM 1347 CB VAL A 104 0.017 -6.668 -5.944 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -0.811 -7.694 -6.706 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.453 -6.660 -6.442 1.00 0.00 C ATOM 0 H VAL A 104 0.229 -4.362 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.628 -4.976 -7.120 1.00 0.00 H new ATOM 0 HB VAL A 104 0.020 -6.949 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.354 -8.678 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.822 -7.720 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.851 -7.419 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.877 -7.660 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.474 -6.355 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.040 -5.959 -5.848 1.00 0.00 H new