USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 30 GLN : amide:sc= 0.645 K(o=-0.31,f=-7.3!) USER MOD Set 1.2: A 34 LYS NZ :NH3+ -163:sc= 1.25 (180deg=0) USER MOD Set 1.3: A 41 THR OG1 : rot 83:sc= -2.2! USER MOD Single : A 0 SER N :NH3+ -157:sc= 0.661 (180deg=0.153) USER MOD Single : A 0 SER OG : rot -18:sc= -1.4! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 1.13 (180deg=0.804) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 0.923 (180deg=0.856) USER MOD Single : A 19 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.056) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0759 (180deg=-0.436) USER MOD Single : A 28 LYS NZ :NH3+ -124:sc= 1.12 (180deg=-0.407) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.377! (180deg=-0.641!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0316 USER MOD Single : A 42 LYS NZ :NH3+ -109:sc= 0.165 (180deg=-1.56!) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0327 (180deg=-0.228) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 150:sc= -1.62 USER MOD Single : A 50 SER OG : rot 122:sc= 0.538 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc=-0.00861 (180deg=-0.0962) USER MOD Single : A 56 TYR OH : rot -37:sc= 0.0182 USER MOD Single : A 57 TYR OH : rot 110:sc= 0.052 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.12) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.937 (180deg=-1.68!) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0515) USER MOD Single : A 81 MET CE :methyl -123:sc= -2.88! (180deg=-3.57!) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0404) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 0 11.947 4.306 3.105 1.00 0.00 N ATOM 11 CA SER A 0 10.514 4.552 3.170 1.00 0.00 C ATOM 12 C SER A 0 10.074 4.378 4.615 1.00 0.00 C ATOM 13 O SER A 0 9.551 5.313 5.220 1.00 0.00 O ATOM 14 CB SER A 0 9.763 3.624 2.212 1.00 0.00 C ATOM 15 OG SER A 0 10.306 3.719 0.906 1.00 0.00 O ATOM 0 H1 SER A 0 12.342 4.777 2.266 1.00 0.00 H new ATOM 0 H2 SER A 0 12.403 4.682 3.961 1.00 0.00 H new ATOM 0 H3 SER A 0 12.121 3.283 3.042 1.00 0.00 H new ATOM 0 HA SER A 0 10.280 5.568 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.828 2.595 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.706 3.888 2.193 1.00 0.00 H new ATOM 0 HG SER A 0 10.835 4.541 0.831 1.00 0.00 H new ATOM 21 N LEU A 1 10.312 3.184 5.163 1.00 0.00 N ATOM 22 CA LEU A 1 10.335 3.007 6.606 1.00 0.00 C ATOM 23 C LEU A 1 10.747 1.589 7.010 1.00 0.00 C ATOM 24 O LEU A 1 11.636 1.410 7.845 1.00 0.00 O ATOM 25 CB LEU A 1 8.987 3.346 7.245 1.00 0.00 C ATOM 26 CG LEU A 1 9.082 3.829 8.692 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.841 5.148 8.756 1.00 0.00 C ATOM 28 CD2 LEU A 1 7.701 3.975 9.301 1.00 0.00 C ATOM 0 H LEU A 1 10.490 2.334 4.628 1.00 0.00 H new ATOM 0 HA LEU A 1 11.086 3.704 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.498 4.116 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 1 8.349 2.463 7.210 1.00 0.00 H new ATOM 0 HG LEU A 1 9.628 3.085 9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.902 5.483 9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.847 5.009 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.318 5.898 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 1 7.792 4.320 10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.124 4.699 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.192 3.011 9.285 1.00 0.00 H new ATOM 40 N ILE A 2 10.119 0.587 6.403 1.00 0.00 N ATOM 41 CA ILE A 2 10.287 -0.805 6.821 1.00 0.00 C ATOM 42 C ILE A 2 11.712 -1.304 6.577 1.00 0.00 C ATOM 43 O ILE A 2 12.198 -2.199 7.272 1.00 0.00 O ATOM 44 CB ILE A 2 9.275 -1.744 6.095 1.00 0.00 C ATOM 45 CG1 ILE A 2 8.760 -2.815 7.059 1.00 0.00 C ATOM 46 CG2 ILE A 2 9.901 -2.403 4.859 1.00 0.00 C ATOM 47 CD1 ILE A 2 7.919 -2.258 8.190 1.00 0.00 C ATOM 0 H ILE A 2 9.484 0.712 5.614 1.00 0.00 H new ATOM 0 HA ILE A 2 10.089 -0.832 7.893 1.00 0.00 H new ATOM 0 HB ILE A 2 8.439 -1.131 5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.169 -3.541 6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.610 -3.353 7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.166 -3.050 4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.218 -1.632 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.764 -2.996 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.588 -3.073 8.833 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.513 -1.554 8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.050 -1.745 7.779 1.00 0.00 H new ATOM 59 N LEU A 3 12.386 -0.701 5.614 1.00 0.00 N ATOM 60 CA LEU A 3 13.672 -1.197 5.158 1.00 0.00 C ATOM 61 C LEU A 3 14.616 -0.037 4.879 1.00 0.00 C ATOM 62 O LEU A 3 15.173 0.072 3.786 1.00 0.00 O ATOM 63 CB LEU A 3 13.460 -2.023 3.897 1.00 0.00 C ATOM 64 CG LEU A 3 14.436 -3.171 3.694 1.00 0.00 C ATOM 65 CD1 LEU A 3 14.204 -4.257 4.732 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.291 -3.725 2.293 1.00 0.00 C ATOM 0 H LEU A 3 12.062 0.137 5.131 1.00 0.00 H new ATOM 0 HA LEU A 3 14.121 -1.820 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.448 -2.428 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.522 -1.360 3.034 1.00 0.00 H new ATOM 0 HG LEU A 3 15.453 -2.799 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.911 -5.071 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.347 -3.843 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.187 -4.637 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.993 -4.547 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.273 -4.088 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.503 -2.940 1.567 1.00 0.00 H new ATOM 78 N ASP A 4 14.791 0.817 5.884 1.00 0.00 N ATOM 79 CA ASP A 4 15.625 2.014 5.765 1.00 0.00 C ATOM 80 C ASP A 4 17.035 1.672 5.294 1.00 0.00 C ATOM 81 O ASP A 4 17.888 1.268 6.087 1.00 0.00 O ATOM 82 CB ASP A 4 15.674 2.759 7.105 1.00 0.00 C ATOM 83 CG ASP A 4 16.669 3.910 7.121 1.00 0.00 C ATOM 84 OD1 ASP A 4 17.254 4.174 8.191 1.00 0.00 O ATOM 85 OD2 ASP A 4 16.877 4.548 6.069 1.00 0.00 O ATOM 0 H ASP A 4 14.361 0.701 6.802 1.00 0.00 H new ATOM 0 HA ASP A 4 15.175 2.662 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.681 3.144 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.933 2.054 7.895 1.00 0.00 H new ATOM 90 N GLY A 5 17.244 1.812 3.985 1.00 0.00 N ATOM 91 CA GLY A 5 18.537 1.553 3.375 1.00 0.00 C ATOM 92 C GLY A 5 19.095 0.197 3.738 1.00 0.00 C ATOM 93 O GLY A 5 20.293 0.053 3.994 1.00 0.00 O ATOM 0 H GLY A 5 16.523 2.106 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.443 1.624 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 5 19.241 2.325 3.685 1.00 0.00 H new ATOM 97 N ASP A 6 18.227 -0.795 3.758 1.00 0.00 N ATOM 98 CA ASP A 6 18.626 -2.146 4.132 1.00 0.00 C ATOM 99 C ASP A 6 18.647 -3.053 2.910 1.00 0.00 C ATOM 100 O ASP A 6 19.692 -3.594 2.546 1.00 0.00 O ATOM 101 CB ASP A 6 17.679 -2.707 5.195 1.00 0.00 C ATOM 102 CG ASP A 6 18.030 -4.123 5.607 1.00 0.00 C ATOM 103 OD1 ASP A 6 17.326 -5.061 5.189 1.00 0.00 O ATOM 104 OD2 ASP A 6 19.008 -4.304 6.363 1.00 0.00 O ATOM 0 H ASP A 6 17.240 -0.696 3.520 1.00 0.00 H new ATOM 0 HA ASP A 6 19.632 -2.105 4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 6 17.703 -2.062 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 6 16.658 -2.687 4.813 1.00 0.00 H new ATOM 109 N LEU A 7 17.482 -3.187 2.282 1.00 0.00 N ATOM 110 CA LEU A 7 17.305 -4.005 1.082 1.00 0.00 C ATOM 111 C LEU A 7 17.377 -5.495 1.417 1.00 0.00 C ATOM 112 O LEU A 7 18.453 -6.073 1.573 1.00 0.00 O ATOM 113 CB LEU A 7 18.316 -3.631 -0.011 1.00 0.00 C ATOM 114 CG LEU A 7 18.108 -4.330 -1.357 1.00 0.00 C ATOM 115 CD1 LEU A 7 16.680 -4.137 -1.843 1.00 0.00 C ATOM 116 CD2 LEU A 7 19.092 -3.797 -2.386 1.00 0.00 C ATOM 0 H LEU A 7 16.626 -2.728 2.593 1.00 0.00 H new ATOM 0 HA LEU A 7 16.310 -3.798 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.274 -2.553 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.319 -3.862 0.349 1.00 0.00 H new ATOM 0 HG LEU A 7 18.286 -5.397 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.551 -4.641 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.988 -4.559 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.477 -3.073 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.933 -4.303 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.939 -2.725 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.111 -3.980 -2.044 1.00 0.00 H new ATOM 128 N LEU A 8 16.205 -6.102 1.536 1.00 0.00 N ATOM 129 CA LEU A 8 16.093 -7.506 1.886 1.00 0.00 C ATOM 130 C LEU A 8 16.120 -8.357 0.623 1.00 0.00 C ATOM 131 O LEU A 8 15.240 -8.247 -0.233 1.00 0.00 O ATOM 132 CB LEU A 8 14.799 -7.741 2.672 1.00 0.00 C ATOM 133 CG LEU A 8 14.717 -9.057 3.452 1.00 0.00 C ATOM 134 CD1 LEU A 8 13.782 -8.897 4.637 1.00 0.00 C ATOM 135 CD2 LEU A 8 14.232 -10.187 2.557 1.00 0.00 C ATOM 0 H LEU A 8 15.310 -5.635 1.393 1.00 0.00 H new ATOM 0 HA LEU A 8 16.937 -7.793 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.669 -6.917 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.962 -7.702 1.975 1.00 0.00 H new ATOM 0 HG LEU A 8 15.715 -9.308 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.728 -9.836 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.158 -8.113 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.787 -8.627 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.182 -11.111 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.242 -9.946 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.924 -10.315 1.725 1.00 0.00 H new ATOM 147 N LYS A 9 17.134 -9.198 0.523 1.00 0.00 N ATOM 148 CA LYS A 9 17.340 -10.035 -0.650 1.00 0.00 C ATOM 149 C LYS A 9 17.127 -11.504 -0.304 1.00 0.00 C ATOM 150 O LYS A 9 17.156 -12.366 -1.182 1.00 0.00 O ATOM 151 CB LYS A 9 18.759 -9.842 -1.186 1.00 0.00 C ATOM 152 CG LYS A 9 19.101 -8.402 -1.529 1.00 0.00 C ATOM 153 CD LYS A 9 20.594 -8.226 -1.749 1.00 0.00 C ATOM 154 CE LYS A 9 20.940 -6.787 -2.087 1.00 0.00 C ATOM 155 NZ LYS A 9 22.406 -6.554 -2.098 1.00 0.00 N ATOM 0 H LYS A 9 17.838 -9.321 1.251 1.00 0.00 H new ATOM 0 HA LYS A 9 16.618 -9.742 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.469 -10.206 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.886 -10.457 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.561 -8.102 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.770 -7.746 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.133 -8.530 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.924 -8.880 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.526 -6.534 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.473 -6.122 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.598 -5.559 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.799 -6.770 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.850 -7.170 -2.809 1.00 0.00 H new ATOM 169 N ASP A 10 16.918 -11.776 0.981 1.00 0.00 N ATOM 170 CA ASP A 10 16.789 -13.149 1.472 1.00 0.00 C ATOM 171 C ASP A 10 15.529 -13.820 0.930 1.00 0.00 C ATOM 172 O ASP A 10 15.557 -14.986 0.536 1.00 0.00 O ATOM 173 CB ASP A 10 16.771 -13.165 3.002 1.00 0.00 C ATOM 174 CG ASP A 10 16.797 -14.570 3.576 1.00 0.00 C ATOM 175 OD1 ASP A 10 15.723 -15.105 3.919 1.00 0.00 O ATOM 176 OD2 ASP A 10 17.902 -15.142 3.703 1.00 0.00 O ATOM 0 H ASP A 10 16.834 -11.063 1.705 1.00 0.00 H new ATOM 0 HA ASP A 10 17.652 -13.711 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.630 -12.608 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.878 -12.649 3.356 1.00 0.00 H new ATOM 181 N LYS A 11 14.429 -13.079 0.901 1.00 0.00 N ATOM 182 CA LYS A 11 13.164 -13.619 0.415 1.00 0.00 C ATOM 183 C LYS A 11 12.942 -13.222 -1.038 1.00 0.00 C ATOM 184 O LYS A 11 13.442 -12.189 -1.489 1.00 0.00 O ATOM 185 CB LYS A 11 11.999 -13.120 1.270 1.00 0.00 C ATOM 186 CG LYS A 11 12.131 -13.436 2.750 1.00 0.00 C ATOM 187 CD LYS A 11 12.160 -14.932 3.007 1.00 0.00 C ATOM 188 CE LYS A 11 12.245 -15.238 4.494 1.00 0.00 C ATOM 189 NZ LYS A 11 13.446 -14.625 5.119 1.00 0.00 N ATOM 0 H LYS A 11 14.386 -12.107 1.206 1.00 0.00 H new ATOM 0 HA LYS A 11 13.210 -14.706 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.909 -12.041 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.075 -13.561 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.043 -12.983 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.297 -12.990 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.264 -15.392 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.014 -15.374 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.348 -14.869 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.270 -16.318 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.609 -15.054 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.275 -14.789 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.296 -13.602 5.230 1.00 0.00 H new ATOM 203 N LEU A 12 12.202 -14.047 -1.768 1.00 0.00 N ATOM 204 CA LEU A 12 11.910 -13.766 -3.165 1.00 0.00 C ATOM 205 C LEU A 12 10.412 -13.596 -3.371 1.00 0.00 C ATOM 206 O LEU A 12 9.933 -12.491 -3.581 1.00 0.00 O ATOM 207 CB LEU A 12 12.434 -14.872 -4.092 1.00 0.00 C ATOM 208 CG LEU A 12 13.947 -15.104 -4.076 1.00 0.00 C ATOM 209 CD1 LEU A 12 14.352 -15.954 -2.880 1.00 0.00 C ATOM 210 CD2 LEU A 12 14.385 -15.784 -5.360 1.00 0.00 C ATOM 0 H LEU A 12 11.795 -14.913 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 12 12.422 -12.838 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.941 -15.806 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.134 -14.635 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 12 14.439 -14.135 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.431 -16.105 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.065 -15.446 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.850 -16.920 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.463 -15.944 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.878 -16.744 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.130 -15.153 -6.211 1.00 0.00 H new ATOM 222 N LYS A 13 9.674 -14.697 -3.314 1.00 0.00 N ATOM 223 CA LYS A 13 8.231 -14.663 -3.515 1.00 0.00 C ATOM 224 C LYS A 13 7.545 -15.602 -2.533 1.00 0.00 C ATOM 225 O LYS A 13 7.576 -16.822 -2.699 1.00 0.00 O ATOM 226 CB LYS A 13 7.854 -15.050 -4.955 1.00 0.00 C ATOM 227 CG LYS A 13 8.504 -14.181 -6.023 1.00 0.00 C ATOM 228 CD LYS A 13 9.791 -14.801 -6.548 1.00 0.00 C ATOM 229 CE LYS A 13 10.681 -13.769 -7.226 1.00 0.00 C ATOM 230 NZ LYS A 13 9.936 -12.938 -8.207 1.00 0.00 N ATOM 0 H LYS A 13 10.052 -15.626 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 13 7.894 -13.641 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.136 -16.089 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.771 -14.991 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.807 -14.037 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.717 -13.195 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.334 -15.264 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.550 -15.594 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.125 -13.123 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.501 -14.277 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.594 -12.285 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.491 -13.554 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.202 -12.392 -7.713 1.00 0.00 H new ATOM 244 N LEU A 14 6.944 -15.031 -1.503 1.00 0.00 N ATOM 245 CA LEU A 14 6.299 -15.815 -0.462 1.00 0.00 C ATOM 246 C LEU A 14 4.776 -15.647 -0.483 1.00 0.00 C ATOM 247 O LEU A 14 4.255 -14.729 -1.125 1.00 0.00 O ATOM 248 CB LEU A 14 6.890 -15.442 0.907 1.00 0.00 C ATOM 249 CG LEU A 14 7.186 -13.960 1.130 1.00 0.00 C ATOM 250 CD1 LEU A 14 5.900 -13.179 1.263 1.00 0.00 C ATOM 251 CD2 LEU A 14 8.054 -13.773 2.363 1.00 0.00 C ATOM 0 H LEU A 14 6.889 -14.022 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 14 6.495 -16.870 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.198 -15.774 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.815 -16.001 1.045 1.00 0.00 H new ATOM 0 HG LEU A 14 7.730 -13.581 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.129 -12.125 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.311 -13.290 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.330 -13.558 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.256 -12.712 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.534 -14.166 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.995 -14.307 2.230 1.00 0.00 H new ATOM 263 N PRO A 15 4.054 -16.566 0.191 1.00 0.00 N ATOM 264 CA PRO A 15 2.585 -16.510 0.346 1.00 0.00 C ATOM 265 C PRO A 15 2.080 -15.192 0.937 1.00 0.00 C ATOM 266 O PRO A 15 2.858 -14.278 1.219 1.00 0.00 O ATOM 267 CB PRO A 15 2.301 -17.658 1.316 1.00 0.00 C ATOM 268 CG PRO A 15 3.406 -18.611 1.091 1.00 0.00 C ATOM 269 CD PRO A 15 4.615 -17.771 0.829 1.00 0.00 C ATOM 0 HA PRO A 15 2.082 -16.587 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.281 -17.310 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.333 -18.117 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.555 -19.251 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.193 -19.266 0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.145 -17.529 1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.325 -18.279 0.176 1.00 0.00 H new ATOM 277 N VAL A 16 0.771 -15.102 1.138 1.00 0.00 N ATOM 278 CA VAL A 16 0.171 -13.880 1.643 1.00 0.00 C ATOM 279 C VAL A 16 0.561 -13.624 3.094 1.00 0.00 C ATOM 280 O VAL A 16 0.349 -14.451 3.986 1.00 0.00 O ATOM 281 CB VAL A 16 -1.370 -13.866 1.491 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.012 -15.020 2.238 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.951 -12.538 1.961 1.00 0.00 C ATOM 0 H VAL A 16 0.110 -15.858 0.959 1.00 0.00 H new ATOM 0 HA VAL A 16 0.567 -13.072 1.028 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.595 -13.986 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.094 -14.979 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.635 -15.964 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.769 -14.947 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.035 -12.553 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.701 -12.383 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.533 -11.727 1.365 1.00 0.00 H new ATOM 293 N ILE A 17 1.168 -12.478 3.294 1.00 0.00 N ATOM 294 CA ILE A 17 1.520 -11.996 4.607 1.00 0.00 C ATOM 295 C ILE A 17 0.264 -11.439 5.274 1.00 0.00 C ATOM 296 O ILE A 17 -0.659 -11.001 4.581 1.00 0.00 O ATOM 297 CB ILE A 17 2.610 -10.903 4.500 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.801 -11.417 3.689 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.074 -10.462 5.869 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.910 -10.399 3.516 1.00 0.00 C ATOM 0 H ILE A 17 1.434 -11.846 2.539 1.00 0.00 H new ATOM 0 HA ILE A 17 1.921 -12.812 5.208 1.00 0.00 H new ATOM 0 HB ILE A 17 2.174 -10.044 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.207 -12.302 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.451 -11.729 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.840 -9.694 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.229 -10.058 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.488 -11.316 6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.718 -10.837 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.521 -9.522 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.289 -10.104 4.494 1.00 0.00 H new ATOM 312 N ASP A 18 0.221 -11.467 6.601 1.00 0.00 N ATOM 313 CA ASP A 18 -0.974 -11.059 7.333 1.00 0.00 C ATOM 314 C ASP A 18 -1.345 -9.619 7.005 1.00 0.00 C ATOM 315 O ASP A 18 -0.470 -8.774 6.803 1.00 0.00 O ATOM 316 CB ASP A 18 -0.765 -11.211 8.841 1.00 0.00 C ATOM 317 CG ASP A 18 -2.050 -11.031 9.620 1.00 0.00 C ATOM 318 OD1 ASP A 18 -2.313 -9.908 10.094 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.804 -12.015 9.765 1.00 0.00 O ATOM 0 H ASP A 18 0.997 -11.767 7.191 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.792 -11.710 7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.351 -12.197 9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.032 -10.479 9.180 1.00 0.00 H new ATOM 324 N ASN A 19 -2.647 -9.352 6.965 1.00 0.00 N ATOM 325 CA ASN A 19 -3.162 -8.037 6.595 1.00 0.00 C ATOM 326 C ASN A 19 -2.605 -6.938 7.494 1.00 0.00 C ATOM 327 O ASN A 19 -2.432 -5.810 7.052 1.00 0.00 O ATOM 328 CB ASN A 19 -4.699 -8.020 6.624 1.00 0.00 C ATOM 329 CG ASN A 19 -5.280 -8.475 7.949 1.00 0.00 C ATOM 330 OD1 ASN A 19 -5.472 -7.674 8.866 1.00 0.00 O ATOM 331 ND2 ASN A 19 -5.581 -9.761 8.052 1.00 0.00 N ATOM 0 H ASN A 19 -3.371 -10.036 7.186 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.829 -7.837 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.048 -7.010 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.077 -8.663 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.988 -10.122 8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.406 -10.390 7.268 1.00 0.00 H new ATOM 338 N LEU A 20 -2.308 -7.276 8.744 1.00 0.00 N ATOM 339 CA LEU A 20 -1.734 -6.330 9.684 1.00 0.00 C ATOM 340 C LEU A 20 -0.391 -5.812 9.184 1.00 0.00 C ATOM 341 O LEU A 20 -0.133 -4.613 9.217 1.00 0.00 O ATOM 342 CB LEU A 20 -1.555 -6.991 11.048 1.00 0.00 C ATOM 343 CG LEU A 20 -0.647 -6.238 12.015 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.282 -4.924 12.446 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.316 -7.104 13.215 1.00 0.00 C ATOM 0 H LEU A 20 -2.459 -8.208 9.129 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.418 -5.486 9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.535 -7.108 11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.151 -7.993 10.899 1.00 0.00 H new ATOM 0 HG LEU A 20 0.284 -6.002 11.499 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.615 -4.406 13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.455 -4.299 11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.232 -5.124 12.942 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.333 -6.551 13.895 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.236 -7.376 13.732 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.194 -8.008 12.882 1.00 0.00 H new ATOM 357 N PHE A 21 0.451 -6.723 8.712 1.00 0.00 N ATOM 358 CA PHE A 21 1.786 -6.364 8.262 1.00 0.00 C ATOM 359 C PHE A 21 1.703 -5.406 7.080 1.00 0.00 C ATOM 360 O PHE A 21 2.347 -4.358 7.071 1.00 0.00 O ATOM 361 CB PHE A 21 2.577 -7.619 7.880 1.00 0.00 C ATOM 362 CG PHE A 21 4.029 -7.352 7.588 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.472 -7.192 6.285 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.949 -7.259 8.621 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.804 -6.946 6.017 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.283 -7.013 8.358 1.00 0.00 C ATOM 367 CZ PHE A 21 6.711 -6.856 7.055 1.00 0.00 C ATOM 0 H PHE A 21 0.231 -7.716 8.632 1.00 0.00 H new ATOM 0 HA PHE A 21 2.307 -5.865 9.079 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.506 -8.344 8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.117 -8.075 7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.767 -7.260 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.619 -7.380 9.642 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.136 -6.824 4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.990 -6.944 9.171 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.753 -6.663 6.847 1.00 0.00 H new ATOM 377 N GLY A 22 0.888 -5.760 6.096 1.00 0.00 N ATOM 378 CA GLY A 22 0.711 -4.897 4.947 1.00 0.00 C ATOM 379 C GLY A 22 0.087 -3.582 5.337 1.00 0.00 C ATOM 380 O GLY A 22 0.534 -2.521 4.907 1.00 0.00 O ATOM 0 H GLY A 22 0.349 -6.625 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.676 -4.717 4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.082 -5.395 4.209 1.00 0.00 H new ATOM 384 N LYS A 23 -0.930 -3.659 6.182 1.00 0.00 N ATOM 385 CA LYS A 23 -1.621 -2.479 6.672 1.00 0.00 C ATOM 386 C LYS A 23 -0.642 -1.550 7.376 1.00 0.00 C ATOM 387 O LYS A 23 -0.756 -0.330 7.287 1.00 0.00 O ATOM 388 CB LYS A 23 -2.748 -2.902 7.618 1.00 0.00 C ATOM 389 CG LYS A 23 -3.566 -1.745 8.159 1.00 0.00 C ATOM 390 CD LYS A 23 -5.004 -1.818 7.679 1.00 0.00 C ATOM 391 CE LYS A 23 -5.870 -0.763 8.343 1.00 0.00 C ATOM 392 NZ LYS A 23 -5.905 -0.915 9.822 1.00 0.00 N ATOM 0 H LYS A 23 -1.297 -4.538 6.545 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.054 -1.938 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.412 -3.588 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.319 -3.453 8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.542 -1.758 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.121 -0.802 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.034 -1.686 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.409 -2.808 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.491 0.227 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.884 -0.827 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.719 -0.394 10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.992 -1.922 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.028 -0.535 10.231 1.00 0.00 H new ATOM 406 N GLU A 24 0.332 -2.150 8.049 1.00 0.00 N ATOM 407 CA GLU A 24 1.397 -1.424 8.702 1.00 0.00 C ATOM 408 C GLU A 24 2.116 -0.511 7.722 1.00 0.00 C ATOM 409 O GLU A 24 2.182 0.694 7.941 1.00 0.00 O ATOM 410 CB GLU A 24 2.365 -2.423 9.308 1.00 0.00 C ATOM 411 CG GLU A 24 2.095 -2.727 10.761 1.00 0.00 C ATOM 412 CD GLU A 24 2.969 -1.920 11.696 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.796 -2.529 12.404 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.856 -0.680 11.715 1.00 0.00 O ATOM 0 H GLU A 24 0.399 -3.162 8.154 1.00 0.00 H new ATOM 0 HA GLU A 24 0.977 -0.794 9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.320 -3.351 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.380 -2.037 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.047 -2.523 10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.259 -3.789 10.943 1.00 0.00 H new ATOM 421 N LEU A 25 2.635 -1.085 6.631 1.00 0.00 N ATOM 422 CA LEU A 25 3.342 -0.297 5.617 1.00 0.00 C ATOM 423 C LEU A 25 2.497 0.886 5.170 1.00 0.00 C ATOM 424 O LEU A 25 2.912 2.044 5.249 1.00 0.00 O ATOM 425 CB LEU A 25 3.660 -1.130 4.374 1.00 0.00 C ATOM 426 CG LEU A 25 4.815 -2.121 4.470 1.00 0.00 C ATOM 427 CD1 LEU A 25 4.443 -3.293 5.351 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.185 -2.606 3.079 1.00 0.00 C ATOM 0 H LEU A 25 2.580 -2.083 6.429 1.00 0.00 H new ATOM 0 HA LEU A 25 4.268 0.043 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.762 -1.685 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.872 -0.444 3.554 1.00 0.00 H new ATOM 0 HG LEU A 25 5.673 -1.619 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.281 -3.988 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.203 -2.934 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.576 -3.803 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.011 -3.314 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.324 -3.095 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.486 -1.757 2.466 1.00 0.00 H new ATOM 440 N LEU A 26 1.297 0.566 4.721 1.00 0.00 N ATOM 441 CA LEU A 26 0.398 1.541 4.127 1.00 0.00 C ATOM 442 C LEU A 26 0.073 2.650 5.109 1.00 0.00 C ATOM 443 O LEU A 26 0.102 3.826 4.762 1.00 0.00 O ATOM 444 CB LEU A 26 -0.890 0.857 3.668 1.00 0.00 C ATOM 445 CG LEU A 26 -0.788 0.036 2.377 1.00 0.00 C ATOM 446 CD1 LEU A 26 0.343 -0.960 2.433 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.108 -0.655 2.097 1.00 0.00 C ATOM 0 H LEU A 26 0.917 -0.380 4.758 1.00 0.00 H new ATOM 0 HA LEU A 26 0.898 1.982 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.235 0.201 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.655 1.621 3.531 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.567 0.721 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.380 -1.521 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.286 -0.432 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.181 -1.648 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.027 -1.236 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.354 -1.319 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.893 0.092 1.985 1.00 0.00 H new ATOM 459 N ASP A 27 -0.221 2.260 6.338 1.00 0.00 N ATOM 460 CA ASP A 27 -0.583 3.212 7.384 1.00 0.00 C ATOM 461 C ASP A 27 0.574 4.160 7.687 1.00 0.00 C ATOM 462 O ASP A 27 0.364 5.325 8.023 1.00 0.00 O ATOM 463 CB ASP A 27 -1.004 2.466 8.650 1.00 0.00 C ATOM 464 CG ASP A 27 -1.786 3.337 9.611 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.854 3.851 9.212 1.00 0.00 O ATOM 466 OD2 ASP A 27 -1.366 3.475 10.777 1.00 0.00 O ATOM 0 H ASP A 27 -0.217 1.286 6.641 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.423 3.808 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.610 1.603 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.116 2.084 9.153 1.00 0.00 H new ATOM 471 N LYS A 28 1.798 3.663 7.539 1.00 0.00 N ATOM 472 CA LYS A 28 2.990 4.479 7.750 1.00 0.00 C ATOM 473 C LYS A 28 3.128 5.528 6.651 1.00 0.00 C ATOM 474 O LYS A 28 3.611 6.636 6.890 1.00 0.00 O ATOM 475 CB LYS A 28 4.241 3.597 7.778 1.00 0.00 C ATOM 476 CG LYS A 28 4.209 2.537 8.863 1.00 0.00 C ATOM 477 CD LYS A 28 5.345 1.540 8.712 1.00 0.00 C ATOM 478 CE LYS A 28 5.157 0.348 9.634 1.00 0.00 C ATOM 479 NZ LYS A 28 5.058 0.747 11.062 1.00 0.00 N ATOM 0 H LYS A 28 1.991 2.697 7.273 1.00 0.00 H new ATOM 0 HA LYS A 28 2.887 4.986 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.355 3.111 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.118 4.228 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.273 3.015 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.256 2.010 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.397 1.199 7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.293 2.029 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.254 -0.191 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.993 -0.340 9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.783 0.245 11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.207 1.773 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.115 0.503 11.426 1.00 0.00 H new ATOM 493 N PHE A 29 2.702 5.174 5.445 1.00 0.00 N ATOM 494 CA PHE A 29 2.809 6.075 4.302 1.00 0.00 C ATOM 495 C PHE A 29 1.490 6.780 4.036 1.00 0.00 C ATOM 496 O PHE A 29 1.346 7.477 3.030 1.00 0.00 O ATOM 497 CB PHE A 29 3.231 5.304 3.052 1.00 0.00 C ATOM 498 CG PHE A 29 4.444 4.454 3.257 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.562 4.964 3.892 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.465 3.143 2.818 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.680 4.181 4.086 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.581 2.354 3.008 1.00 0.00 C ATOM 503 CZ PHE A 29 6.689 2.874 3.643 1.00 0.00 C ATOM 0 H PHE A 29 2.279 4.270 5.232 1.00 0.00 H new ATOM 0 HA PHE A 29 3.565 6.823 4.541 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.404 4.672 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.425 6.012 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.559 5.987 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.599 2.732 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.547 4.590 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.587 1.332 2.660 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.564 2.259 3.794 1.00 0.00 H new ATOM 513 N GLN A 30 0.538 6.603 4.948 1.00 0.00 N ATOM 514 CA GLN A 30 -0.797 7.122 4.793 1.00 0.00 C ATOM 515 C GLN A 30 -0.803 8.597 4.427 1.00 0.00 C ATOM 516 O GLN A 30 -1.546 9.012 3.546 1.00 0.00 O ATOM 517 CB GLN A 30 -1.576 6.919 6.080 1.00 0.00 C ATOM 518 CG GLN A 30 -2.963 7.457 5.981 1.00 0.00 C ATOM 519 CD GLN A 30 -3.707 7.488 7.297 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.530 8.373 7.529 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.448 6.518 8.154 1.00 0.00 N ATOM 0 H GLN A 30 0.683 6.090 5.818 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.266 6.576 3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.615 5.856 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.054 7.410 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.921 8.468 5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.527 6.852 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.758 5.804 7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.938 6.483 9.048 1.00 0.00 H new ATOM 530 N ASP A 31 0.029 9.382 5.099 1.00 0.00 N ATOM 531 CA ASP A 31 0.078 10.820 4.863 1.00 0.00 C ATOM 532 C ASP A 31 0.377 11.137 3.407 1.00 0.00 C ATOM 533 O ASP A 31 -0.204 12.058 2.844 1.00 0.00 O ATOM 534 CB ASP A 31 1.113 11.488 5.767 1.00 0.00 C ATOM 535 CG ASP A 31 0.648 11.588 7.202 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.672 10.564 7.913 1.00 0.00 O ATOM 537 OD2 ASP A 31 0.264 12.696 7.634 1.00 0.00 O ATOM 0 H ASP A 31 0.679 9.048 5.811 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.908 11.219 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.044 10.922 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.331 12.487 5.388 1.00 0.00 H new ATOM 542 N ASP A 32 1.253 10.356 2.788 1.00 0.00 N ATOM 543 CA ASP A 32 1.618 10.588 1.394 1.00 0.00 C ATOM 544 C ASP A 32 0.499 10.108 0.479 1.00 0.00 C ATOM 545 O ASP A 32 0.134 10.776 -0.488 1.00 0.00 O ATOM 546 CB ASP A 32 2.919 9.873 1.039 1.00 0.00 C ATOM 547 CG ASP A 32 3.507 10.358 -0.272 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.201 9.766 -1.325 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.280 11.342 -0.258 1.00 0.00 O ATOM 0 H ASP A 32 1.722 9.562 3.224 1.00 0.00 H new ATOM 0 HA ASP A 32 1.768 11.659 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.644 10.027 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.735 8.800 0.977 1.00 0.00 H new ATOM 554 N ILE A 33 -0.064 8.953 0.818 1.00 0.00 N ATOM 555 CA ILE A 33 -1.176 8.378 0.067 1.00 0.00 C ATOM 556 C ILE A 33 -2.398 9.293 0.148 1.00 0.00 C ATOM 557 O ILE A 33 -3.173 9.416 -0.798 1.00 0.00 O ATOM 558 CB ILE A 33 -1.559 6.986 0.620 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.317 6.112 0.778 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.558 6.306 -0.302 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.564 4.823 1.533 1.00 0.00 C ATOM 0 H ILE A 33 0.235 8.392 1.616 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.856 8.275 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.018 7.122 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.075 5.873 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.453 6.683 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.817 5.327 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.457 6.917 -0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.117 6.185 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.366 4.258 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.926 5.052 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.310 4.229 1.005 1.00 0.00 H new ATOM 573 N LYS A 34 -2.543 9.942 1.288 1.00 0.00 N ATOM 574 CA LYS A 34 -3.669 10.818 1.558 1.00 0.00 C ATOM 575 C LYS A 34 -3.407 12.196 0.982 1.00 0.00 C ATOM 576 O LYS A 34 -4.328 12.932 0.639 1.00 0.00 O ATOM 577 CB LYS A 34 -3.880 10.892 3.064 1.00 0.00 C ATOM 578 CG LYS A 34 -5.162 11.582 3.497 1.00 0.00 C ATOM 579 CD LYS A 34 -5.502 11.247 4.942 1.00 0.00 C ATOM 580 CE LYS A 34 -4.369 11.609 5.889 1.00 0.00 C ATOM 581 NZ LYS A 34 -4.644 11.171 7.283 1.00 0.00 N ATOM 0 H LYS A 34 -1.878 9.876 2.059 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.570 10.424 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.876 9.879 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.034 11.416 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.053 12.661 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.981 11.276 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.406 11.781 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.720 10.182 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.445 11.148 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.214 12.688 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.010 11.674 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.632 11.386 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.483 10.147 7.363 1.00 0.00 H new ATOM 595 N ASP A 35 -2.138 12.537 0.890 1.00 0.00 N ATOM 596 CA ASP A 35 -1.726 13.785 0.270 1.00 0.00 C ATOM 597 C ASP A 35 -1.930 13.724 -1.239 1.00 0.00 C ATOM 598 O ASP A 35 -2.485 14.643 -1.842 1.00 0.00 O ATOM 599 CB ASP A 35 -0.263 14.079 0.587 1.00 0.00 C ATOM 600 CG ASP A 35 0.213 15.388 -0.003 1.00 0.00 C ATOM 601 OD1 ASP A 35 -0.274 16.451 0.425 1.00 0.00 O ATOM 602 OD2 ASP A 35 1.095 15.361 -0.884 1.00 0.00 O ATOM 0 H ASP A 35 -1.368 11.965 1.238 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.342 14.588 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.128 14.103 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.357 13.267 0.206 1.00 0.00 H new ATOM 607 N LYS A 36 -1.485 12.627 -1.839 1.00 0.00 N ATOM 608 CA LYS A 36 -1.614 12.427 -3.277 1.00 0.00 C ATOM 609 C LYS A 36 -3.027 12.004 -3.673 1.00 0.00 C ATOM 610 O LYS A 36 -3.724 12.712 -4.401 1.00 0.00 O ATOM 611 CB LYS A 36 -0.636 11.368 -3.756 1.00 0.00 C ATOM 612 CG LYS A 36 0.799 11.834 -3.831 1.00 0.00 C ATOM 613 CD LYS A 36 1.699 10.666 -4.131 1.00 0.00 C ATOM 614 CE LYS A 36 3.154 11.074 -4.308 1.00 0.00 C ATOM 615 NZ LYS A 36 3.712 11.723 -3.096 1.00 0.00 N ATOM 0 H LYS A 36 -1.029 11.858 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.393 13.385 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.692 10.509 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.946 11.024 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.904 12.594 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.090 12.297 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.626 9.939 -3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.353 10.170 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.748 10.193 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.236 11.757 -5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.564 12.261 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.004 12.368 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.959 10.995 -2.395 1.00 0.00 H new ATOM 629 N TYR A 37 -3.447 10.851 -3.171 1.00 0.00 N ATOM 630 CA TYR A 37 -4.649 10.189 -3.661 1.00 0.00 C ATOM 631 C TYR A 37 -5.846 10.494 -2.769 1.00 0.00 C ATOM 632 O TYR A 37 -6.997 10.332 -3.176 1.00 0.00 O ATOM 633 CB TYR A 37 -4.419 8.675 -3.719 1.00 0.00 C ATOM 634 CG TYR A 37 -3.110 8.268 -4.368 1.00 0.00 C ATOM 635 CD1 TYR A 37 -3.004 8.129 -5.745 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.983 8.014 -3.595 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.813 7.749 -6.335 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.789 7.636 -4.176 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.709 7.505 -5.546 1.00 0.00 C ATOM 640 OH TYR A 37 0.477 7.120 -6.129 1.00 0.00 O ATOM 0 H TYR A 37 -2.970 10.352 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.863 10.566 -4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.448 8.276 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.241 8.215 -4.267 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.867 8.321 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.042 8.114 -2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.748 7.644 -7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.078 7.444 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 37 1.156 6.989 -5.434 1.00 0.00 H new ATOM 650 N GLY A 38 -5.566 10.931 -1.551 1.00 0.00 N ATOM 651 CA GLY A 38 -6.624 11.225 -0.605 1.00 0.00 C ATOM 652 C GLY A 38 -7.204 9.965 0.005 1.00 0.00 C ATOM 653 O GLY A 38 -8.421 9.806 0.093 1.00 0.00 O ATOM 0 H GLY A 38 -4.622 11.088 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.235 11.866 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.415 11.783 -1.107 1.00 0.00 H new ATOM 657 N VAL A 39 -6.325 9.067 0.423 1.00 0.00 N ATOM 658 CA VAL A 39 -6.734 7.784 0.961 1.00 0.00 C ATOM 659 C VAL A 39 -6.527 7.721 2.468 1.00 0.00 C ATOM 660 O VAL A 39 -5.573 8.285 3.001 1.00 0.00 O ATOM 661 CB VAL A 39 -5.916 6.650 0.324 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.407 5.291 0.784 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.941 6.745 -1.193 1.00 0.00 C ATOM 0 H VAL A 39 -5.315 9.208 0.398 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.793 7.667 0.733 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.884 6.763 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.808 4.510 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.315 5.218 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.452 5.166 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.354 5.931 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.970 6.673 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.516 7.699 -1.505 1.00 0.00 H new ATOM 673 N ASP A 40 -7.419 7.020 3.139 1.00 0.00 N ATOM 674 CA ASP A 40 -7.262 6.722 4.553 1.00 0.00 C ATOM 675 C ASP A 40 -6.958 5.237 4.694 1.00 0.00 C ATOM 676 O ASP A 40 -7.839 4.397 4.522 1.00 0.00 O ATOM 677 CB ASP A 40 -8.528 7.094 5.335 1.00 0.00 C ATOM 678 CG ASP A 40 -8.366 6.920 6.836 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.820 5.889 7.374 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.795 7.819 7.486 1.00 0.00 O ATOM 0 H ASP A 40 -8.270 6.641 2.724 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.443 7.311 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.791 8.130 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.357 6.477 4.990 1.00 0.00 H new ATOM 685 N THR A 41 -5.702 4.917 4.980 1.00 0.00 N ATOM 686 CA THR A 41 -5.236 3.534 4.964 1.00 0.00 C ATOM 687 C THR A 41 -5.908 2.686 6.038 1.00 0.00 C ATOM 688 O THR A 41 -5.885 1.458 5.977 1.00 0.00 O ATOM 689 CB THR A 41 -3.716 3.468 5.138 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.328 4.240 6.280 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.013 3.996 3.898 1.00 0.00 C ATOM 0 H THR A 41 -4.985 5.599 5.227 1.00 0.00 H new ATOM 0 HA THR A 41 -5.509 3.125 3.991 1.00 0.00 H new ATOM 0 HB THR A 41 -3.426 2.428 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.443 3.704 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.934 3.941 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.296 3.394 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.304 5.033 3.728 1.00 0.00 H new ATOM 699 N LYS A 42 -6.512 3.351 7.008 1.00 0.00 N ATOM 700 CA LYS A 42 -7.251 2.685 8.060 1.00 0.00 C ATOM 701 C LYS A 42 -8.498 2.017 7.490 1.00 0.00 C ATOM 702 O LYS A 42 -8.965 0.997 8.002 1.00 0.00 O ATOM 703 CB LYS A 42 -7.637 3.713 9.115 1.00 0.00 C ATOM 704 CG LYS A 42 -6.443 4.324 9.828 1.00 0.00 C ATOM 705 CD LYS A 42 -6.733 5.724 10.360 1.00 0.00 C ATOM 706 CE LYS A 42 -8.061 5.803 11.094 1.00 0.00 C ATOM 707 NZ LYS A 42 -9.169 6.242 10.200 1.00 0.00 N ATOM 0 H LYS A 42 -6.502 4.368 7.086 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.629 1.912 8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.214 4.508 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.287 3.241 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.149 3.678 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.597 4.368 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.931 6.027 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.737 6.431 9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.301 4.827 11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.973 6.498 11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.458 7.208 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.845 6.227 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.979 5.598 10.309 1.00 0.00 H new ATOM 721 N ASP A 43 -9.015 2.595 6.414 1.00 0.00 N ATOM 722 CA ASP A 43 -10.217 2.092 5.762 1.00 0.00 C ATOM 723 C ASP A 43 -9.870 1.021 4.731 1.00 0.00 C ATOM 724 O ASP A 43 -10.721 0.221 4.338 1.00 0.00 O ATOM 725 CB ASP A 43 -10.964 3.247 5.090 1.00 0.00 C ATOM 726 CG ASP A 43 -12.260 2.812 4.437 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.284 2.647 3.201 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.267 2.640 5.160 1.00 0.00 O ATOM 0 H ASP A 43 -8.615 3.422 5.970 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.858 1.640 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.178 4.016 5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.319 3.701 4.338 1.00 0.00 H new ATOM 733 N LEU A 44 -8.610 0.999 4.313 1.00 0.00 N ATOM 734 CA LEU A 44 -8.151 0.060 3.304 1.00 0.00 C ATOM 735 C LEU A 44 -8.220 -1.374 3.803 1.00 0.00 C ATOM 736 O LEU A 44 -7.777 -1.690 4.911 1.00 0.00 O ATOM 737 CB LEU A 44 -6.720 0.375 2.881 1.00 0.00 C ATOM 738 CG LEU A 44 -6.523 1.713 2.170 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.077 1.868 1.729 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.460 1.826 0.976 1.00 0.00 C ATOM 0 H LEU A 44 -7.886 1.627 4.662 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.815 0.164 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.086 0.358 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.371 -0.421 2.223 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.760 2.515 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.951 2.826 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.424 1.829 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.817 1.060 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.306 2.785 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.253 1.019 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.493 1.755 1.316 1.00 0.00 H new ATOM 752 N LYS A 45 -8.778 -2.232 2.974 1.00 0.00 N ATOM 753 CA LYS A 45 -8.861 -3.646 3.272 1.00 0.00 C ATOM 754 C LYS A 45 -7.675 -4.359 2.640 1.00 0.00 C ATOM 755 O LYS A 45 -7.599 -4.476 1.419 1.00 0.00 O ATOM 756 CB LYS A 45 -10.169 -4.209 2.722 1.00 0.00 C ATOM 757 CG LYS A 45 -10.649 -5.478 3.407 1.00 0.00 C ATOM 758 CD LYS A 45 -9.700 -6.649 3.214 1.00 0.00 C ATOM 759 CE LYS A 45 -10.248 -7.923 3.836 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.493 -8.383 3.164 1.00 0.00 N ATOM 0 H LYS A 45 -9.186 -1.969 2.077 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.839 -3.799 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.944 -3.448 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.044 -4.411 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.769 -5.286 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.632 -5.745 3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.529 -6.808 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.734 -6.412 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.494 -8.708 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.449 -7.752 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.692 -9.366 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.287 -7.776 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.371 -8.328 2.133 1.00 0.00 H new ATOM 774 N ILE A 46 -6.749 -4.818 3.464 1.00 0.00 N ATOM 775 CA ILE A 46 -5.582 -5.524 2.961 1.00 0.00 C ATOM 776 C ILE A 46 -5.979 -6.921 2.500 1.00 0.00 C ATOM 777 O ILE A 46 -6.296 -7.790 3.313 1.00 0.00 O ATOM 778 CB ILE A 46 -4.470 -5.648 4.021 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.116 -4.282 4.631 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.239 -6.286 3.400 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.169 -3.432 3.804 1.00 0.00 C ATOM 0 H ILE A 46 -6.781 -4.716 4.478 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.192 -4.940 2.127 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.838 -6.281 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.038 -3.722 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.670 -4.445 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.455 -6.372 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.493 -7.278 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.885 -5.667 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.982 -2.490 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.228 -3.964 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.617 -3.231 2.831 1.00 0.00 H new ATOM 793 N LEU A 47 -5.974 -7.121 1.195 1.00 0.00 N ATOM 794 CA LEU A 47 -6.343 -8.400 0.611 1.00 0.00 C ATOM 795 C LEU A 47 -5.169 -9.357 0.701 1.00 0.00 C ATOM 796 O LEU A 47 -5.277 -10.461 1.241 1.00 0.00 O ATOM 797 CB LEU A 47 -6.719 -8.218 -0.857 1.00 0.00 C ATOM 798 CG LEU A 47 -7.615 -7.020 -1.169 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.929 -6.970 -2.655 1.00 0.00 C ATOM 800 CD2 LEU A 47 -8.897 -7.071 -0.352 1.00 0.00 C ATOM 0 H LEU A 47 -5.716 -6.408 0.513 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.196 -8.802 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.802 -8.123 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.222 -9.123 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.079 -6.111 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.568 -6.112 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.001 -6.877 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.443 -7.885 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.517 -6.207 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.442 -7.985 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.652 -7.057 0.710 1.00 0.00 H new ATOM 812 N LYS A 48 -4.041 -8.912 0.170 1.00 0.00 N ATOM 813 CA LYS A 48 -2.841 -9.713 0.143 1.00 0.00 C ATOM 814 C LYS A 48 -1.615 -8.853 0.390 1.00 0.00 C ATOM 815 O LYS A 48 -1.339 -7.918 -0.360 1.00 0.00 O ATOM 816 CB LYS A 48 -2.679 -10.423 -1.203 1.00 0.00 C ATOM 817 CG LYS A 48 -1.437 -11.297 -1.244 1.00 0.00 C ATOM 818 CD LYS A 48 -1.260 -12.012 -2.570 1.00 0.00 C ATOM 819 CE LYS A 48 0.024 -12.825 -2.568 1.00 0.00 C ATOM 820 NZ LYS A 48 0.281 -13.495 -3.868 1.00 0.00 N ATOM 0 H LYS A 48 -3.938 -7.989 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.934 -10.458 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.559 -11.036 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.626 -9.681 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.559 -10.681 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.492 -12.035 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.112 -12.667 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.236 -11.285 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.863 -12.171 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.028 -13.577 -1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.168 -14.035 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.504 -14.141 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.359 -12.779 -4.618 1.00 0.00 H new ATOM 834 N THR A 49 -0.892 -9.167 1.443 1.00 0.00 N ATOM 835 CA THR A 49 0.412 -8.584 1.658 1.00 0.00 C ATOM 836 C THR A 49 1.461 -9.570 1.182 1.00 0.00 C ATOM 837 O THR A 49 1.284 -10.774 1.336 1.00 0.00 O ATOM 838 CB THR A 49 0.650 -8.263 3.144 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.418 -7.453 3.638 1.00 0.00 O ATOM 840 CG2 THR A 49 1.976 -7.544 3.341 1.00 0.00 C ATOM 0 H THR A 49 -1.187 -9.825 2.165 1.00 0.00 H new ATOM 0 HA THR A 49 0.474 -7.649 1.102 1.00 0.00 H new ATOM 0 HB THR A 49 0.685 -9.201 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.552 -7.634 4.592 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.119 -7.329 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.789 -8.177 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.971 -6.610 2.779 1.00 0.00 H new ATOM 848 N SER A 50 2.516 -9.082 0.568 1.00 0.00 N ATOM 849 CA SER A 50 3.610 -9.941 0.172 1.00 0.00 C ATOM 850 C SER A 50 4.785 -9.099 -0.271 1.00 0.00 C ATOM 851 O SER A 50 4.753 -7.866 -0.187 1.00 0.00 O ATOM 852 CB SER A 50 3.176 -10.893 -0.955 1.00 0.00 C ATOM 853 OG SER A 50 4.173 -11.861 -1.242 1.00 0.00 O ATOM 0 H SER A 50 2.640 -8.097 0.332 1.00 0.00 H new ATOM 0 HA SER A 50 3.908 -10.546 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.252 -11.397 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.960 -10.316 -1.854 1.00 0.00 H new ATOM 0 HG SER A 50 3.801 -12.760 -1.121 1.00 0.00 H new ATOM 859 N GLU A 51 5.803 -9.767 -0.758 1.00 0.00 N ATOM 860 CA GLU A 51 7.020 -9.112 -1.166 1.00 0.00 C ATOM 861 C GLU A 51 7.651 -9.852 -2.332 1.00 0.00 C ATOM 862 O GLU A 51 7.313 -11.004 -2.616 1.00 0.00 O ATOM 863 CB GLU A 51 8.010 -9.035 0.001 1.00 0.00 C ATOM 864 CG GLU A 51 8.371 -10.384 0.590 1.00 0.00 C ATOM 865 CD GLU A 51 9.510 -10.299 1.580 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.673 -10.395 1.149 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.254 -10.119 2.787 1.00 0.00 O ATOM 0 H GLU A 51 5.810 -10.779 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 51 6.773 -8.098 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.921 -8.543 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.584 -8.409 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.496 -10.807 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.644 -11.067 -0.215 1.00 0.00 H new ATOM 874 N ASP A 52 8.543 -9.168 -3.010 1.00 0.00 N ATOM 875 CA ASP A 52 9.331 -9.756 -4.070 1.00 0.00 C ATOM 876 C ASP A 52 10.766 -9.304 -3.869 1.00 0.00 C ATOM 877 O ASP A 52 11.077 -8.666 -2.860 1.00 0.00 O ATOM 878 CB ASP A 52 8.813 -9.315 -5.448 1.00 0.00 C ATOM 879 CG ASP A 52 9.202 -10.277 -6.561 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.369 -10.254 -7.001 1.00 0.00 O ATOM 881 OD2 ASP A 52 8.338 -11.065 -7.002 1.00 0.00 O ATOM 0 H ASP A 52 8.744 -8.182 -2.841 1.00 0.00 H new ATOM 0 HA ASP A 52 9.262 -10.843 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.727 -9.229 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.204 -8.324 -5.678 1.00 0.00 H new ATOM 886 N LYS A 53 11.637 -9.616 -4.806 1.00 0.00 N ATOM 887 CA LYS A 53 12.994 -9.123 -4.743 1.00 0.00 C ATOM 888 C LYS A 53 12.976 -7.606 -4.856 1.00 0.00 C ATOM 889 O LYS A 53 12.582 -7.063 -5.884 1.00 0.00 O ATOM 890 CB LYS A 53 13.848 -9.733 -5.859 1.00 0.00 C ATOM 891 CG LYS A 53 14.064 -11.235 -5.721 1.00 0.00 C ATOM 892 CD LYS A 53 14.825 -11.588 -4.450 1.00 0.00 C ATOM 893 CE LYS A 53 16.199 -10.934 -4.408 1.00 0.00 C ATOM 894 NZ LYS A 53 17.069 -11.374 -5.530 1.00 0.00 N ATOM 0 H LYS A 53 11.431 -10.204 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 53 13.437 -9.413 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.372 -9.531 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.818 -9.236 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.099 -11.741 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.614 -11.603 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.247 -11.273 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.936 -12.670 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.084 -9.851 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.683 -11.172 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.033 -11.011 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.092 -12.413 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.692 -11.006 -6.427 1.00 0.00 H new ATOM 908 N ARG A 54 13.316 -6.937 -3.757 1.00 0.00 N ATOM 909 CA ARG A 54 13.426 -5.476 -3.721 1.00 0.00 C ATOM 910 C ARG A 54 12.051 -4.789 -3.774 1.00 0.00 C ATOM 911 O ARG A 54 11.966 -3.565 -3.726 1.00 0.00 O ATOM 912 CB ARG A 54 14.326 -4.986 -4.865 1.00 0.00 C ATOM 913 CG ARG A 54 14.691 -3.516 -4.798 1.00 0.00 C ATOM 914 CD ARG A 54 15.563 -3.119 -5.973 1.00 0.00 C ATOM 915 NE ARG A 54 15.938 -1.706 -5.941 1.00 0.00 N ATOM 916 CZ ARG A 54 16.202 -0.989 -7.031 1.00 0.00 C ATOM 917 NH1 ARG A 54 16.099 -1.540 -8.234 1.00 0.00 N ATOM 918 NH2 ARG A 54 16.568 0.281 -6.921 1.00 0.00 N ATOM 0 H ARG A 54 13.523 -7.389 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 54 13.880 -5.202 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.243 -5.575 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.823 -5.179 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.784 -2.912 -4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.216 -3.310 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.465 -3.731 -5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.033 -3.330 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 54 16.001 -1.244 -5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.817 -2.516 -8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.302 -0.988 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.648 0.711 -5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.770 0.828 -7.758 1.00 0.00 H new ATOM 932 N PHE A 55 10.969 -5.559 -3.863 1.00 0.00 N ATOM 933 CA PHE A 55 9.629 -4.961 -3.843 1.00 0.00 C ATOM 934 C PHE A 55 8.747 -5.512 -2.726 1.00 0.00 C ATOM 935 O PHE A 55 8.927 -6.629 -2.252 1.00 0.00 O ATOM 936 CB PHE A 55 8.890 -5.170 -5.167 1.00 0.00 C ATOM 937 CG PHE A 55 9.543 -4.543 -6.362 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.234 -3.244 -6.727 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.449 -5.255 -7.129 1.00 0.00 C ATOM 940 CE1 PHE A 55 9.818 -2.667 -7.836 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.039 -4.682 -8.236 1.00 0.00 C ATOM 942 CZ PHE A 55 10.722 -3.386 -8.590 1.00 0.00 C ATOM 0 H PHE A 55 10.987 -6.575 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 55 9.802 -3.899 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.791 -6.241 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.881 -4.768 -5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.529 -2.676 -6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.697 -6.271 -6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.568 -1.654 -8.113 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.747 -5.246 -8.825 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.182 -2.935 -9.457 1.00 0.00 H new ATOM 952 N TYR A 56 7.815 -4.678 -2.306 1.00 0.00 N ATOM 953 CA TYR A 56 6.677 -5.075 -1.492 1.00 0.00 C ATOM 954 C TYR A 56 5.412 -4.882 -2.311 1.00 0.00 C ATOM 955 O TYR A 56 5.325 -3.943 -3.107 1.00 0.00 O ATOM 956 CB TYR A 56 6.570 -4.216 -0.231 1.00 0.00 C ATOM 957 CG TYR A 56 7.256 -4.780 0.986 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.701 -5.845 1.683 1.00 0.00 C ATOM 959 CD2 TYR A 56 8.436 -4.230 1.458 1.00 0.00 C ATOM 960 CE1 TYR A 56 7.306 -6.346 2.817 1.00 0.00 C ATOM 961 CE2 TYR A 56 9.051 -4.729 2.587 1.00 0.00 C ATOM 962 CZ TYR A 56 8.483 -5.786 3.265 1.00 0.00 C ATOM 963 OH TYR A 56 9.088 -6.277 4.399 1.00 0.00 O ATOM 0 H TYR A 56 7.826 -3.682 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 56 6.807 -6.116 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.990 -3.233 -0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.515 -4.069 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.781 -6.288 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.882 -3.397 0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.860 -7.172 3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.974 -4.293 2.939 1.00 0.00 H new ATOM 0 HH TYR A 56 8.402 -6.533 5.051 1.00 0.00 H new ATOM 973 N TYR A 57 4.438 -5.752 -2.126 1.00 0.00 N ATOM 974 CA TYR A 57 3.180 -5.635 -2.844 1.00 0.00 C ATOM 975 C TYR A 57 2.001 -5.825 -1.903 1.00 0.00 C ATOM 976 O TYR A 57 1.780 -6.915 -1.374 1.00 0.00 O ATOM 977 CB TYR A 57 3.113 -6.644 -3.992 1.00 0.00 C ATOM 978 CG TYR A 57 4.059 -6.328 -5.131 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.863 -5.208 -5.931 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.144 -7.150 -5.409 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.720 -4.916 -6.974 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.007 -6.863 -6.451 1.00 0.00 C ATOM 983 CZ TYR A 57 5.789 -5.744 -7.229 1.00 0.00 C ATOM 984 OH TYR A 57 6.643 -5.456 -8.268 1.00 0.00 O ATOM 0 H TYR A 57 4.491 -6.546 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 57 3.126 -4.631 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.341 -7.637 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.093 -6.678 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.026 -4.555 -5.733 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.316 -8.027 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.552 -4.042 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.847 -7.511 -6.655 1.00 0.00 H new ATOM 0 HH TYR A 57 7.512 -5.179 -7.910 1.00 0.00 H new ATOM 994 N VAL A 58 1.255 -4.752 -1.687 1.00 0.00 N ATOM 995 CA VAL A 58 0.106 -4.788 -0.795 1.00 0.00 C ATOM 996 C VAL A 58 -1.192 -4.624 -1.577 1.00 0.00 C ATOM 997 O VAL A 58 -1.627 -3.508 -1.846 1.00 0.00 O ATOM 998 CB VAL A 58 0.172 -3.670 0.265 1.00 0.00 C ATOM 999 CG1 VAL A 58 -0.819 -3.936 1.383 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.579 -3.502 0.816 1.00 0.00 C ATOM 0 H VAL A 58 1.425 -3.844 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 58 0.128 -5.758 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.100 -2.734 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.758 -3.137 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.828 -3.975 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.584 -4.888 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.586 -2.705 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.902 -4.434 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.260 -3.246 0.004 1.00 0.00 H new ATOM 1010 N SER A 59 -1.803 -5.732 -1.955 1.00 0.00 N ATOM 1011 CA SER A 59 -3.072 -5.690 -2.666 1.00 0.00 C ATOM 1012 C SER A 59 -4.194 -5.381 -1.685 1.00 0.00 C ATOM 1013 O SER A 59 -4.375 -6.100 -0.705 1.00 0.00 O ATOM 1014 CB SER A 59 -3.330 -7.026 -3.353 1.00 0.00 C ATOM 1015 OG SER A 59 -2.175 -7.460 -4.052 1.00 0.00 O ATOM 0 H SER A 59 -1.444 -6.671 -1.783 1.00 0.00 H new ATOM 0 HA SER A 59 -3.034 -4.909 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.615 -7.773 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.166 -6.929 -4.046 1.00 0.00 H new ATOM 0 HG SER A 59 -2.359 -8.320 -4.485 1.00 0.00 H new ATOM 1021 N VAL A 60 -4.923 -4.303 -1.931 1.00 0.00 N ATOM 1022 CA VAL A 60 -5.978 -3.876 -1.025 1.00 0.00 C ATOM 1023 C VAL A 60 -7.248 -3.510 -1.778 1.00 0.00 C ATOM 1024 O VAL A 60 -7.218 -3.237 -2.981 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.549 -2.649 -0.189 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.247 -2.923 0.540 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.428 -1.408 -1.063 1.00 0.00 C ATOM 0 H VAL A 60 -4.803 -3.708 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.170 -4.723 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.323 -2.462 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.964 -2.046 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.376 -3.775 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.464 -3.145 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.125 -0.559 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.682 -1.580 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.391 -1.195 -1.527 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.362 -3.524 -1.065 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.591 -2.945 -1.571 1.00 0.00 C ATOM 1039 C ASP A 61 -9.547 -1.456 -1.273 1.00 0.00 C ATOM 1040 O ASP A 61 -9.506 -1.052 -0.108 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.814 -3.588 -0.913 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.113 -3.206 -1.594 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.784 -4.105 -2.145 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.475 -2.013 -1.585 1.00 0.00 O ATOM 0 H ASP A 61 -8.438 -3.931 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.676 -3.122 -2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.704 -4.672 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.856 -3.290 0.135 1.00 0.00 H new ATOM 1049 N ALA A 62 -9.520 -0.646 -2.318 1.00 0.00 N ATOM 1050 CA ALA A 62 -9.255 0.778 -2.165 1.00 0.00 C ATOM 1051 C ALA A 62 -10.517 1.563 -1.858 1.00 0.00 C ATOM 1052 O ALA A 62 -10.451 2.690 -1.363 1.00 0.00 O ATOM 1053 CB ALA A 62 -8.605 1.319 -3.425 1.00 0.00 C ATOM 0 H ALA A 62 -9.678 -0.947 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.579 0.898 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.409 2.384 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.666 0.795 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.272 1.166 -4.273 1.00 0.00 H new ATOM 1059 N GLY A 63 -11.657 0.972 -2.139 1.00 0.00 N ATOM 1060 CA GLY A 63 -12.891 1.695 -2.051 1.00 0.00 C ATOM 1061 C GLY A 63 -13.440 1.950 -3.427 1.00 0.00 C ATOM 1062 O GLY A 63 -12.725 1.766 -4.418 1.00 0.00 O ATOM 0 H GLY A 63 -11.748 -0.002 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.612 1.128 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.731 2.641 -1.534 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.707 2.340 -3.489 1.00 0.00 N ATOM 1067 CA ASP A 64 -15.407 2.584 -4.759 1.00 0.00 C ATOM 1068 C ASP A 64 -15.717 1.266 -5.458 1.00 0.00 C ATOM 1069 O ASP A 64 -16.865 0.986 -5.802 1.00 0.00 O ATOM 1070 CB ASP A 64 -14.587 3.501 -5.684 1.00 0.00 C ATOM 1071 CG ASP A 64 -15.184 3.635 -7.073 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -14.827 2.834 -7.965 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -16.005 4.549 -7.285 1.00 0.00 O ATOM 0 H ASP A 64 -15.285 2.498 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.345 3.091 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.511 4.490 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.573 3.110 -5.767 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.692 0.457 -5.626 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.830 -0.815 -6.292 1.00 0.00 C ATOM 1080 C GLY A 65 -13.497 -1.318 -6.790 1.00 0.00 C ATOM 1081 O GLY A 65 -13.336 -2.500 -7.089 1.00 0.00 O ATOM 0 H GLY A 65 -13.746 0.664 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.263 -1.543 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.521 -0.717 -7.130 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.529 -0.418 -6.870 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.217 -0.755 -7.391 1.00 0.00 C ATOM 1087 C GLU A 66 -10.374 -1.494 -6.368 1.00 0.00 C ATOM 1088 O GLU A 66 -10.519 -1.310 -5.158 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.486 0.500 -7.855 1.00 0.00 C ATOM 1090 CG GLU A 66 -11.123 1.132 -9.075 1.00 0.00 C ATOM 1091 CD GLU A 66 -10.285 2.232 -9.678 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -10.430 3.397 -9.253 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -9.498 1.938 -10.601 1.00 0.00 O ATOM 0 H GLU A 66 -12.630 0.554 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.370 -1.419 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.468 1.226 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.450 0.249 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.296 0.362 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.098 1.535 -8.801 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.486 -2.332 -6.873 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.557 -3.050 -6.037 1.00 0.00 C ATOM 1102 C LYS A 67 -7.144 -2.634 -6.399 1.00 0.00 C ATOM 1103 O LYS A 67 -6.701 -2.832 -7.530 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.736 -4.563 -6.177 1.00 0.00 C ATOM 1105 CG LYS A 67 -10.065 -5.062 -5.634 1.00 0.00 C ATOM 1106 CD LYS A 67 -10.150 -6.577 -5.649 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.461 -7.058 -5.048 1.00 0.00 C ATOM 1108 NZ LYS A 67 -11.560 -8.539 -5.029 1.00 0.00 N ATOM 0 H LYS A 67 -9.393 -2.529 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.752 -2.802 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.655 -4.836 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.924 -5.068 -5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.199 -4.701 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.879 -4.647 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.062 -6.939 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.314 -6.997 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.554 -6.676 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.293 -6.647 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.470 -8.821 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.498 -8.904 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.782 -8.932 -4.462 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.446 -2.050 -5.446 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.151 -1.449 -5.712 1.00 0.00 C ATOM 1124 C CYS A 68 -4.056 -2.208 -4.990 1.00 0.00 C ATOM 1125 O CYS A 68 -4.190 -2.538 -3.818 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.152 0.013 -5.259 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.562 0.989 -5.885 1.00 0.00 S ATOM 0 H CYS A 68 -6.754 -1.978 -4.476 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.960 -1.494 -6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.158 0.044 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.225 0.484 -5.586 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.980 -2.491 -5.695 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.842 -3.150 -5.094 1.00 0.00 C ATOM 1134 C LYS A 69 -0.753 -2.124 -4.838 1.00 0.00 C ATOM 1135 O LYS A 69 -0.150 -1.597 -5.774 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.331 -4.277 -5.999 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.083 -4.963 -5.475 1.00 0.00 C ATOM 1138 CD LYS A 69 0.326 -6.142 -6.348 1.00 0.00 C ATOM 1139 CE LYS A 69 0.752 -5.692 -7.735 1.00 0.00 C ATOM 1140 NZ LYS A 69 1.148 -6.832 -8.601 1.00 0.00 N ATOM 0 H LYS A 69 -2.871 -2.274 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.140 -3.599 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.120 -5.020 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.123 -3.870 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.735 -4.244 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.259 -5.309 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.146 -6.680 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.507 -6.840 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.067 -5.149 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.587 -4.997 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.430 -6.476 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.947 -7.337 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.344 -7.483 -8.707 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.542 -1.804 -3.574 1.00 0.00 N ATOM 1155 CA PHE A 70 0.480 -0.851 -3.194 1.00 0.00 C ATOM 1156 C PHE A 70 1.858 -1.420 -3.462 1.00 0.00 C ATOM 1157 O PHE A 70 2.345 -2.293 -2.742 1.00 0.00 O ATOM 1158 CB PHE A 70 0.342 -0.443 -1.729 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.753 0.556 -1.493 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.451 1.894 -1.317 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.079 0.160 -1.457 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.451 2.822 -1.107 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.083 1.085 -1.246 1.00 0.00 C ATOM 1164 CZ PHE A 70 -2.768 2.416 -1.071 1.00 0.00 C ATOM 0 H PHE A 70 -1.068 -2.193 -2.792 1.00 0.00 H new ATOM 0 HA PHE A 70 0.347 0.044 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.150 -1.332 -1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.288 -0.024 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.579 2.217 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.331 -0.881 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.202 3.864 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.114 0.766 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.552 3.140 -0.906 1.00 0.00 H new ATOM 1174 N LYS A 71 2.447 -0.939 -4.531 1.00 0.00 N ATOM 1175 CA LYS A 71 3.776 -1.327 -4.927 1.00 0.00 C ATOM 1176 C LYS A 71 4.785 -0.416 -4.249 1.00 0.00 C ATOM 1177 O LYS A 71 4.887 0.775 -4.553 1.00 0.00 O ATOM 1178 CB LYS A 71 3.872 -1.247 -6.448 1.00 0.00 C ATOM 1179 CG LYS A 71 5.270 -1.184 -7.021 1.00 0.00 C ATOM 1180 CD LYS A 71 5.281 -0.248 -8.216 1.00 0.00 C ATOM 1181 CE LYS A 71 6.654 -0.149 -8.866 1.00 0.00 C ATOM 1182 NZ LYS A 71 6.818 1.107 -9.651 1.00 0.00 N ATOM 0 H LYS A 71 2.011 -0.260 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 71 3.993 -2.350 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.366 -2.115 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.324 -0.366 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.970 -0.833 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.598 -2.179 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.558 -0.597 -8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.960 0.744 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.423 -0.196 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.806 -1.007 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.807 1.196 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.195 1.080 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.567 1.923 -9.057 1.00 0.00 H new ATOM 1196 N ILE A 72 5.509 -0.973 -3.306 1.00 0.00 N ATOM 1197 CA ILE A 72 6.475 -0.214 -2.542 1.00 0.00 C ATOM 1198 C ILE A 72 7.815 -0.899 -2.699 1.00 0.00 C ATOM 1199 O ILE A 72 7.922 -2.086 -2.447 1.00 0.00 O ATOM 1200 CB ILE A 72 6.075 -0.131 -1.046 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.625 0.364 -0.905 1.00 0.00 C ATOM 1202 CG2 ILE A 72 7.024 0.793 -0.295 1.00 0.00 C ATOM 1203 CD1 ILE A 72 4.067 0.241 0.501 1.00 0.00 C ATOM 0 H ILE A 72 5.447 -1.958 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 72 6.519 0.811 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 72 6.145 -1.129 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.576 1.408 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.991 -0.201 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.731 0.841 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.041 0.409 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.980 1.791 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.042 0.610 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.082 -0.805 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.676 0.829 1.187 1.00 0.00 H new ATOM 1215 N ARG A 73 8.829 -0.176 -3.144 1.00 0.00 N ATOM 1216 CA ARG A 73 10.083 -0.811 -3.542 1.00 0.00 C ATOM 1217 C ARG A 73 10.944 -1.113 -2.319 1.00 0.00 C ATOM 1218 O ARG A 73 12.108 -0.731 -2.245 1.00 0.00 O ATOM 1219 CB ARG A 73 10.817 0.069 -4.558 1.00 0.00 C ATOM 1220 CG ARG A 73 11.703 -0.709 -5.516 1.00 0.00 C ATOM 1221 CD ARG A 73 11.775 -0.027 -6.875 1.00 0.00 C ATOM 1222 NE ARG A 73 12.581 -0.785 -7.832 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.933 -0.332 -9.036 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.709 0.932 -9.373 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.558 -1.133 -9.888 1.00 0.00 N ATOM 0 H ARG A 73 8.814 0.839 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 73 9.866 -1.764 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.083 0.633 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.428 0.795 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.705 -0.798 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.315 -1.721 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.767 0.098 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.197 0.971 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 73 12.893 -1.718 -7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.264 1.566 -8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.982 1.270 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.769 -2.095 -9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.828 -0.787 -10.809 1.00 0.00 H new ATOM 1239 N LYS A 74 10.326 -1.812 -1.371 1.00 0.00 N ATOM 1240 CA LYS A 74 10.962 -2.239 -0.131 1.00 0.00 C ATOM 1241 C LYS A 74 11.661 -1.112 0.593 1.00 0.00 C ATOM 1242 O LYS A 74 12.776 -1.284 1.082 1.00 0.00 O ATOM 1243 CB LYS A 74 11.927 -3.392 -0.364 1.00 0.00 C ATOM 1244 CG LYS A 74 11.231 -4.722 -0.464 1.00 0.00 C ATOM 1245 CD LYS A 74 11.935 -5.780 0.351 1.00 0.00 C ATOM 1246 CE LYS A 74 11.378 -7.145 0.018 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.915 -8.199 0.914 1.00 0.00 N ATOM 0 H LYS A 74 9.351 -2.102 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 74 10.152 -2.584 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.488 -3.211 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.650 -3.425 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.202 -4.622 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.189 -5.034 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.005 -5.755 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.808 -5.576 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.291 -7.122 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.618 -7.392 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.344 -9.062 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.901 -8.405 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.877 -7.869 1.900 1.00 0.00 H new ATOM 1261 N ASP A 75 10.999 0.033 0.655 1.00 0.00 N ATOM 1262 CA ASP A 75 11.399 1.104 1.558 1.00 0.00 C ATOM 1263 C ASP A 75 12.849 1.526 1.358 1.00 0.00 C ATOM 1264 O ASP A 75 13.493 2.030 2.284 1.00 0.00 O ATOM 1265 CB ASP A 75 11.152 0.641 2.987 1.00 0.00 C ATOM 1266 CG ASP A 75 9.677 0.381 3.238 1.00 0.00 C ATOM 1267 OD1 ASP A 75 9.108 -0.532 2.607 1.00 0.00 O ATOM 1268 OD2 ASP A 75 9.094 1.085 4.081 1.00 0.00 O ATOM 0 H ASP A 75 10.178 0.246 0.088 1.00 0.00 H new ATOM 0 HA ASP A 75 10.801 1.989 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.721 -0.268 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.513 1.397 3.684 1.00 0.00 H new ATOM 1273 N VAL A 76 13.346 1.365 0.141 1.00 0.00 N ATOM 1274 CA VAL A 76 14.735 1.657 -0.151 1.00 0.00 C ATOM 1275 C VAL A 76 14.985 3.159 -0.281 1.00 0.00 C ATOM 1276 O VAL A 76 14.358 3.844 -1.090 1.00 0.00 O ATOM 1277 CB VAL A 76 15.230 0.935 -1.428 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.270 -0.569 -1.209 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.367 1.281 -2.635 1.00 0.00 C ATOM 0 H VAL A 76 12.806 1.034 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 76 15.305 1.279 0.698 1.00 0.00 H new ATOM 0 HB VAL A 76 16.242 1.283 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.620 -1.060 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.948 -0.799 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.270 -0.928 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.743 0.757 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.337 0.978 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.402 2.356 -2.811 1.00 0.00 H new ATOM 1289 N ASP A 77 15.894 3.651 0.553 1.00 0.00 N ATOM 1290 CA ASP A 77 16.393 5.034 0.495 1.00 0.00 C ATOM 1291 C ASP A 77 15.320 6.092 0.782 1.00 0.00 C ATOM 1292 O ASP A 77 15.279 6.648 1.874 1.00 0.00 O ATOM 1293 CB ASP A 77 17.054 5.324 -0.851 1.00 0.00 C ATOM 1294 CG ASP A 77 17.777 6.653 -0.845 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.860 6.736 -0.228 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.275 7.615 -1.456 1.00 0.00 O ATOM 0 H ASP A 77 16.315 3.099 1.301 1.00 0.00 H new ATOM 0 HA ASP A 77 17.132 5.108 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.759 4.527 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.297 5.325 -1.635 1.00 0.00 H new ATOM 1301 N VAL A 78 14.462 6.373 -0.187 1.00 0.00 N ATOM 1302 CA VAL A 78 13.485 7.450 -0.049 1.00 0.00 C ATOM 1303 C VAL A 78 12.256 6.978 0.721 1.00 0.00 C ATOM 1304 O VAL A 78 11.793 5.851 0.550 1.00 0.00 O ATOM 1305 CB VAL A 78 13.044 8.002 -1.427 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.338 6.923 -2.220 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.140 9.218 -1.290 1.00 0.00 C ATOM 0 H VAL A 78 14.420 5.874 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 78 13.974 8.250 0.507 1.00 0.00 H new ATOM 0 HB VAL A 78 13.944 8.315 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.033 7.323 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.014 6.082 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.458 6.586 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.855 9.573 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.245 8.945 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.672 10.009 -0.761 1.00 0.00 H new ATOM 1317 N PRO A 79 11.734 7.833 1.600 1.00 0.00 N ATOM 1318 CA PRO A 79 10.516 7.563 2.345 1.00 0.00 C ATOM 1319 C PRO A 79 9.256 7.829 1.535 1.00 0.00 C ATOM 1320 O PRO A 79 8.722 8.938 1.548 1.00 0.00 O ATOM 1321 CB PRO A 79 10.598 8.543 3.499 1.00 0.00 C ATOM 1322 CG PRO A 79 11.334 9.704 2.940 1.00 0.00 C ATOM 1323 CD PRO A 79 12.307 9.137 1.946 1.00 0.00 C ATOM 0 HA PRO A 79 10.449 6.516 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.606 8.831 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.123 8.112 4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.651 10.405 2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.854 10.252 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.402 9.778 1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.304 9.035 2.375 1.00 0.00 H new ATOM 1331 N LYS A 80 8.799 6.812 0.827 1.00 0.00 N ATOM 1332 CA LYS A 80 7.600 6.907 0.004 1.00 0.00 C ATOM 1333 C LYS A 80 7.270 5.562 -0.615 1.00 0.00 C ATOM 1334 O LYS A 80 7.904 4.555 -0.321 1.00 0.00 O ATOM 1335 CB LYS A 80 7.767 7.932 -1.123 1.00 0.00 C ATOM 1336 CG LYS A 80 7.024 9.234 -0.880 1.00 0.00 C ATOM 1337 CD LYS A 80 6.826 10.004 -2.175 1.00 0.00 C ATOM 1338 CE LYS A 80 8.098 10.699 -2.629 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.402 11.890 -1.794 1.00 0.00 N ATOM 0 H LYS A 80 9.246 5.896 0.804 1.00 0.00 H new ATOM 0 HA LYS A 80 6.791 7.228 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.828 8.148 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.416 7.493 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.055 9.024 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.581 9.847 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.489 9.320 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.038 10.745 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.932 9.999 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.995 11.002 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.174 12.433 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.555 12.489 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.691 11.583 -0.843 1.00 0.00 H new ATOM 1353 N MET A 81 6.275 5.562 -1.479 1.00 0.00 N ATOM 1354 CA MET A 81 5.922 4.377 -2.236 1.00 0.00 C ATOM 1355 C MET A 81 6.489 4.502 -3.636 1.00 0.00 C ATOM 1356 O MET A 81 6.619 5.606 -4.161 1.00 0.00 O ATOM 1357 CB MET A 81 4.407 4.220 -2.316 1.00 0.00 C ATOM 1358 CG MET A 81 3.722 4.057 -0.971 1.00 0.00 C ATOM 1359 SD MET A 81 1.979 4.485 -1.065 1.00 0.00 S ATOM 1360 CE MET A 81 2.103 6.203 -1.567 1.00 0.00 C ATOM 0 H MET A 81 5.692 6.376 -1.676 1.00 0.00 H new ATOM 0 HA MET A 81 6.335 3.501 -1.737 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.990 5.092 -2.819 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.176 3.353 -2.935 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.827 3.027 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.214 4.689 -0.232 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.585 6.832 -0.843 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.153 6.493 -1.614 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.647 6.329 -2.549 1.00 0.00 H new ATOM 1370 N VAL A 82 6.834 3.382 -4.238 1.00 0.00 N ATOM 1371 CA VAL A 82 7.373 3.400 -5.593 1.00 0.00 C ATOM 1372 C VAL A 82 6.256 3.296 -6.642 1.00 0.00 C ATOM 1373 O VAL A 82 6.521 3.202 -7.843 1.00 0.00 O ATOM 1374 CB VAL A 82 8.408 2.272 -5.808 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.725 0.921 -5.918 1.00 0.00 C ATOM 1376 CG2 VAL A 82 9.273 2.548 -7.029 1.00 0.00 C ATOM 0 H VAL A 82 6.754 2.455 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 82 7.878 4.357 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 82 9.061 2.247 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.476 0.145 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.172 0.717 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.037 0.929 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.992 1.739 -7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.641 2.615 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.806 3.489 -6.892 1.00 0.00 H new ATOM 1386 N GLY A 83 5.006 3.299 -6.194 1.00 0.00 N ATOM 1387 CA GLY A 83 3.902 3.301 -7.133 1.00 0.00 C ATOM 1388 C GLY A 83 2.640 2.659 -6.592 1.00 0.00 C ATOM 1389 O GLY A 83 2.594 1.457 -6.350 1.00 0.00 O ATOM 0 H GLY A 83 4.740 3.300 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.682 4.330 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.206 2.776 -8.039 1.00 0.00 H new ATOM 1393 N ARG A 84 1.614 3.465 -6.401 1.00 0.00 N ATOM 1394 CA ARG A 84 0.298 2.955 -6.043 1.00 0.00 C ATOM 1395 C ARG A 84 -0.541 2.805 -7.303 1.00 0.00 C ATOM 1396 O ARG A 84 -1.067 3.788 -7.828 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.415 3.887 -5.058 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.848 3.467 -4.750 1.00 0.00 C ATOM 1399 CD ARG A 84 -2.619 4.585 -4.070 1.00 0.00 C ATOM 1400 NE ARG A 84 -4.035 4.262 -3.878 1.00 0.00 N ATOM 1401 CZ ARG A 84 -5.010 4.646 -4.708 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -4.717 5.269 -5.846 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -6.272 4.386 -4.403 1.00 0.00 N ATOM 0 H ARG A 84 1.663 4.480 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 84 0.425 1.987 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.152 3.922 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.421 4.898 -5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.353 3.185 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.841 2.586 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.165 4.797 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.536 5.493 -4.667 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.293 3.710 -3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.744 5.456 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.465 5.560 -6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.497 3.895 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.019 4.677 -5.033 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.650 1.588 -7.799 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.403 1.345 -9.014 1.00 0.00 C ATOM 1419 C LYS A 85 -2.458 0.284 -8.749 1.00 0.00 C ATOM 1420 O LYS A 85 -2.181 -0.736 -8.112 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.469 0.890 -10.138 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.929 1.266 -11.537 1.00 0.00 C ATOM 1423 CD LYS A 85 -1.032 2.768 -11.714 1.00 0.00 C ATOM 1424 CE LYS A 85 -1.193 3.153 -13.178 1.00 0.00 C ATOM 1425 NZ LYS A 85 -2.350 2.474 -13.817 1.00 0.00 N ATOM 0 H LYS A 85 -0.230 0.757 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.889 2.270 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.518 1.319 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.360 -0.193 -10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.231 0.861 -12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.899 0.810 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.881 3.144 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.139 3.244 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.321 4.233 -13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.282 2.900 -13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.512 2.879 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.150 1.457 -13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.199 2.610 -13.232 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.668 0.526 -9.211 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.745 -0.419 -9.007 1.00 0.00 C ATOM 1441 C CYS A 86 -4.846 -1.342 -10.200 1.00 0.00 C ATOM 1442 O CYS A 86 -5.008 -0.896 -11.334 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.066 0.305 -8.786 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.930 1.730 -7.662 1.00 0.00 S ATOM 0 H CYS A 86 -3.929 1.366 -9.728 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.529 -1.007 -8.115 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.450 0.645 -9.747 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.794 -0.398 -8.382 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.754 -2.625 -9.935 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.752 -3.620 -10.979 1.00 0.00 C ATOM 1451 C ARG A 87 -6.024 -4.443 -10.873 1.00 0.00 C ATOM 1452 O ARG A 87 -6.033 -5.656 -11.070 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.498 -4.492 -10.873 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.314 -5.418 -12.054 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.950 -6.078 -12.047 1.00 0.00 C ATOM 1456 NE ARG A 87 -1.836 -7.090 -13.100 1.00 0.00 N ATOM 1457 CZ ARG A 87 -0.875 -8.012 -13.151 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.092 -8.016 -12.243 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -0.874 -8.921 -14.116 1.00 0.00 N ATOM 0 H ARG A 87 -4.679 -3.006 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.729 -3.142 -11.958 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.623 -3.849 -10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.552 -5.085 -9.960 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.088 -6.185 -12.038 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.441 -4.856 -12.979 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.178 -5.321 -12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.774 -6.541 -11.076 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.537 -7.089 -13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.101 -7.313 -11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.827 -8.722 -12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.610 -8.916 -14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.137 -9.625 -14.152 1.00 0.00 H new