USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 115 GLN : amide:sc= -0.128 K(o=0.46,f=-20!) USER MOD Set 1.2: B 118 LYS NZ :NH3+ -107:sc= 0.584 (180deg=0) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0.668 USER MOD Set 2.2: B 103 GLN : amide:sc= 1.21 K(o=1.9,f=1.1) USER MOD Set 3.1: A 31 THR OG1 : rot -109:sc= 1.03 USER MOD Set 3.2: B 131 THR OG1 : rot 96:sc= 1.14 USER MOD Set 4.1: A 13 SER OG : rot 53:sc= 2.09 USER MOD Set 4.2: B 133 GLN : amide:sc= 1.24 K(o=3.3,f=1.7) USER MOD Set 5.1: A 3 GLN : amide:sc= 0.707 K(o=1.4,f=-1.5!) USER MOD Set 5.2: B 114 TYR OH : rot 175:sc= -0.18 USER MOD Set 5.3: B 123 ASN : amide:sc= 0.898 K(o=1.4,f=-3.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -140:sc= -2.44! USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.134 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -142:sc= 0.692 USER MOD Single : A 23 ASN : amide:sc= -0.333 K(o=-0.33,f=-4.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -92:sc= 0.538 USER MOD Single : A 30 THR OG1 : rot 51:sc= 1.01 USER MOD Single : A 32 MET CE :methyl 175:sc= -15.6! (180deg=-15.8!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc=-0.00814 K(o=-0.0081,f=-0.68) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot 75:sc= -5.21! USER MOD Single : B 108 THR OG1 : rot 48:sc= 0.612 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 110:sc= -2.39! USER MOD Single : B 120 TYR OH : rot 150:sc= -1.2 USER MOD Single : B 125 SER OG : rot 180:sc= 0.0249 USER MOD Single : B 129 SER OG : rot 99:sc= -0.681! USER MOD Single : B 130 THR OG1 : rot 83:sc= 1.15 USER MOD Single : B 132 MET CE :methyl 149:sc= -12! (180deg=-18.6!) USER MOD Single : B 134 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.081 -14.279 -17.388 1.00 0.00 N ATOM 21 CA LYS A 2 -12.490 -13.004 -16.938 1.00 0.00 C ATOM 22 C LYS A 2 -11.174 -13.255 -16.197 1.00 0.00 C ATOM 23 O LYS A 2 -10.798 -14.405 -15.959 1.00 0.00 O ATOM 24 CB LYS A 2 -13.462 -12.216 -16.044 1.00 0.00 C ATOM 25 CG LYS A 2 -14.863 -12.072 -16.623 1.00 0.00 C ATOM 26 CD LYS A 2 -14.975 -10.848 -17.519 1.00 0.00 C ATOM 27 CE LYS A 2 -16.427 -10.467 -17.761 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.562 -9.485 -18.876 1.00 0.00 N ATOM 0 HA LYS A 2 -12.288 -12.403 -17.825 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.530 -12.711 -15.075 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.050 -11.223 -15.866 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.115 -12.966 -17.194 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.587 -11.997 -15.812 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.449 -10.010 -17.060 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.486 -11.048 -18.473 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.004 -11.362 -17.993 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.849 -10.043 -16.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.566 -9.249 -19.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.032 -8.621 -18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.183 -9.899 -19.751 1.00 0.00 H new ATOM 42 N GLN A 3 -10.467 -12.185 -15.831 1.00 0.00 N ATOM 43 CA GLN A 3 -9.200 -12.338 -15.124 1.00 0.00 C ATOM 44 C GLN A 3 -9.338 -12.062 -13.647 1.00 0.00 C ATOM 45 O GLN A 3 -9.376 -10.914 -13.204 1.00 0.00 O ATOM 46 CB GLN A 3 -8.102 -11.453 -15.727 1.00 0.00 C ATOM 47 CG GLN A 3 -6.824 -11.428 -14.899 1.00 0.00 C ATOM 48 CD GLN A 3 -5.628 -12.013 -15.624 1.00 0.00 C ATOM 49 OE1 GLN A 3 -4.650 -11.314 -15.901 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.689 -13.303 -15.919 1.00 0.00 N ATOM 0 H GLN A 3 -10.746 -11.220 -16.009 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.906 -13.380 -15.246 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.869 -11.809 -16.731 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.480 -10.436 -15.829 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.602 -10.399 -14.618 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.987 -11.983 -13.975 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.517 -13.844 -15.672 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.907 -13.755 -16.394 1.00 0.00 H new ATOM 59 N ARG A 4 -9.391 -13.147 -12.896 1.00 0.00 N ATOM 60 CA ARG A 4 -9.510 -13.078 -11.458 1.00 0.00 C ATOM 61 C ARG A 4 -8.165 -12.787 -10.816 1.00 0.00 C ATOM 62 O ARG A 4 -7.364 -13.698 -10.585 1.00 0.00 O ATOM 63 CB ARG A 4 -10.035 -14.406 -10.933 1.00 0.00 C ATOM 64 CG ARG A 4 -10.626 -14.322 -9.544 1.00 0.00 C ATOM 65 CD ARG A 4 -10.858 -15.693 -8.955 1.00 0.00 C ATOM 66 NE ARG A 4 -9.735 -16.092 -8.111 1.00 0.00 N ATOM 67 CZ ARG A 4 -8.618 -16.642 -8.567 1.00 0.00 C ATOM 68 NH1 ARG A 4 -8.503 -17.003 -9.832 1.00 0.00 N ATOM 69 NH2 ARG A 4 -7.619 -16.856 -7.744 1.00 0.00 N ATOM 0 H ARG A 4 -9.353 -14.096 -13.268 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.199 -12.272 -11.206 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.794 -14.783 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.222 -15.131 -10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.956 -13.756 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.569 -13.777 -9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.777 -15.691 -8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.993 -16.420 -9.756 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.815 -15.938 -7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.281 -16.860 -10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.636 -17.425 -10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.705 -16.600 -6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.757 -17.279 -8.088 1.00 0.00 H new ATOM 83 N ILE A 5 -7.940 -11.528 -10.477 1.00 0.00 N ATOM 84 CA ILE A 5 -6.708 -11.153 -9.802 1.00 0.00 C ATOM 85 C ILE A 5 -7.046 -10.845 -8.367 1.00 0.00 C ATOM 86 O ILE A 5 -7.727 -9.869 -8.060 1.00 0.00 O ATOM 87 CB ILE A 5 -5.961 -9.986 -10.489 1.00 0.00 C ATOM 88 CG1 ILE A 5 -6.428 -8.595 -10.016 1.00 0.00 C ATOM 89 CG2 ILE A 5 -6.078 -10.125 -11.994 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.844 -8.210 -10.395 1.00 0.00 C ATOM 0 H ILE A 5 -8.584 -10.758 -10.655 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.008 -11.987 -9.855 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.913 -10.054 -10.196 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.338 -8.552 -8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.747 -7.847 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.551 -9.302 -12.477 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.638 -11.072 -12.307 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.129 -10.101 -12.281 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.065 -7.214 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.943 -8.211 -11.480 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.543 -8.928 -9.966 1.00 0.00 H new ATOM 102 N THR A 6 -6.623 -11.733 -7.495 1.00 0.00 N ATOM 103 CA THR A 6 -6.941 -11.611 -6.091 1.00 0.00 C ATOM 104 C THR A 6 -5.752 -11.109 -5.275 1.00 0.00 C ATOM 105 O THR A 6 -4.694 -11.739 -5.247 1.00 0.00 O ATOM 106 CB THR A 6 -7.486 -12.961 -5.560 1.00 0.00 C ATOM 107 OG1 THR A 6 -6.641 -13.514 -4.567 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.670 -14.032 -6.625 1.00 0.00 C ATOM 0 H THR A 6 -6.058 -12.548 -7.734 1.00 0.00 H new ATOM 0 HA THR A 6 -7.720 -10.857 -5.977 1.00 0.00 H new ATOM 0 HB THR A 6 -8.464 -12.697 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.579 -14.484 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.054 -14.942 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.376 -13.680 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.711 -14.243 -7.099 1.00 0.00 H new ATOM 116 N VAL A 7 -5.963 -10.003 -4.553 1.00 0.00 N ATOM 117 CA VAL A 7 -4.949 -9.444 -3.662 1.00 0.00 C ATOM 118 C VAL A 7 -5.296 -9.864 -2.236 1.00 0.00 C ATOM 119 O VAL A 7 -6.245 -9.341 -1.653 1.00 0.00 O ATOM 120 CB VAL A 7 -4.852 -7.879 -3.740 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.204 -7.260 -4.066 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.296 -7.280 -2.437 1.00 0.00 C ATOM 0 H VAL A 7 -6.836 -9.476 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.977 -9.827 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.157 -7.642 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.106 -6.175 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.553 -7.635 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.922 -7.526 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.243 -6.195 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.952 -7.543 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.298 -7.677 -2.251 1.00 0.00 H new ATOM 132 N THR A 8 -4.559 -10.808 -1.674 1.00 0.00 N ATOM 133 CA THR A 8 -4.834 -11.259 -0.320 1.00 0.00 C ATOM 134 C THR A 8 -4.465 -10.167 0.679 1.00 0.00 C ATOM 135 O THR A 8 -3.320 -10.091 1.136 1.00 0.00 O ATOM 136 CB THR A 8 -4.067 -12.542 -0.029 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.725 -12.440 -0.468 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.675 -13.757 -0.682 1.00 0.00 C ATOM 0 H THR A 8 -3.773 -11.273 -2.129 1.00 0.00 H new ATOM 0 HA THR A 8 -5.899 -11.468 -0.222 1.00 0.00 H new ATOM 0 HB THR A 8 -4.114 -12.668 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.332 -11.610 -0.127 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.082 -14.638 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.694 -13.893 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.690 -13.620 -1.763 1.00 0.00 H new ATOM 146 N VAL A 9 -5.438 -9.310 0.995 1.00 0.00 N ATOM 147 CA VAL A 9 -5.210 -8.204 1.919 1.00 0.00 C ATOM 148 C VAL A 9 -5.341 -8.655 3.378 1.00 0.00 C ATOM 149 O VAL A 9 -4.746 -9.668 3.747 1.00 0.00 O ATOM 150 CB VAL A 9 -6.131 -6.996 1.628 1.00 0.00 C ATOM 151 CG1 VAL A 9 -5.559 -5.731 2.254 1.00 0.00 C ATOM 152 CG2 VAL A 9 -6.303 -6.797 0.132 1.00 0.00 C ATOM 0 H VAL A 9 -6.387 -9.362 0.625 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.184 -7.872 1.759 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.107 -7.202 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.218 -4.889 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.477 -5.864 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.571 -5.533 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.955 -5.942 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.330 -6.615 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.748 -7.691 -0.305 1.00 0.00 H new ATOM 162 N ASP A 10 -6.055 -7.874 4.217 1.00 0.00 N ATOM 163 CA ASP A 10 -6.184 -8.162 5.653 1.00 0.00 C ATOM 164 C ASP A 10 -5.046 -7.447 6.406 1.00 0.00 C ATOM 165 O ASP A 10 -5.005 -7.414 7.637 1.00 0.00 O ATOM 166 CB ASP A 10 -6.166 -9.671 5.914 1.00 0.00 C ATOM 167 CG ASP A 10 -6.552 -10.051 7.331 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.552 -9.515 7.844 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.860 -10.916 7.915 1.00 0.00 O ATOM 0 H ASP A 10 -6.552 -7.035 3.917 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.142 -7.790 6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.848 -10.159 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.168 -10.055 5.704 1.00 0.00 H new ATOM 174 N SER A 11 -4.142 -6.843 5.621 1.00 0.00 N ATOM 175 CA SER A 11 -3.010 -6.084 6.140 1.00 0.00 C ATOM 176 C SER A 11 -2.797 -4.810 5.308 1.00 0.00 C ATOM 177 O SER A 11 -2.807 -3.709 5.853 1.00 0.00 O ATOM 178 CB SER A 11 -1.738 -6.939 6.139 1.00 0.00 C ATOM 179 OG SER A 11 -0.876 -6.576 7.208 1.00 0.00 O ATOM 0 H SER A 11 -4.182 -6.872 4.602 1.00 0.00 H new ATOM 0 HA SER A 11 -3.230 -5.799 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.004 -7.992 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.216 -6.818 5.190 1.00 0.00 H new ATOM 0 HG SER A 11 -0.073 -7.137 7.186 1.00 0.00 H new ATOM 185 N ASP A 12 -2.569 -4.975 3.992 1.00 0.00 N ATOM 186 CA ASP A 12 -2.312 -3.849 3.085 1.00 0.00 C ATOM 187 C ASP A 12 -3.257 -2.639 3.312 1.00 0.00 C ATOM 188 O ASP A 12 -2.939 -1.765 4.121 1.00 0.00 O ATOM 189 CB ASP A 12 -2.352 -4.356 1.643 1.00 0.00 C ATOM 190 CG ASP A 12 -1.105 -3.994 0.863 1.00 0.00 C ATOM 191 OD1 ASP A 12 -0.791 -2.790 0.770 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.445 -4.916 0.344 1.00 0.00 O ATOM 0 H ASP A 12 -2.558 -5.886 3.534 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.318 -3.458 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.472 -5.439 1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.225 -3.940 1.140 1.00 0.00 H new ATOM 197 N SER A 13 -4.403 -2.551 2.603 1.00 0.00 N ATOM 198 CA SER A 13 -5.330 -1.406 2.777 1.00 0.00 C ATOM 199 C SER A 13 -6.584 -1.533 1.880 1.00 0.00 C ATOM 200 O SER A 13 -7.090 -0.546 1.350 1.00 0.00 O ATOM 201 CB SER A 13 -4.609 -0.087 2.477 1.00 0.00 C ATOM 202 OG SER A 13 -4.132 0.519 3.666 1.00 0.00 O ATOM 0 H SER A 13 -4.707 -3.243 1.917 1.00 0.00 H new ATOM 0 HA SER A 13 -5.661 -1.414 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.775 -0.271 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.289 0.594 1.966 1.00 0.00 H new ATOM 0 HG SER A 13 -3.591 -0.126 4.168 1.00 0.00 H new ATOM 208 N TYR A 14 -7.073 -2.766 1.743 1.00 0.00 N ATOM 209 CA TYR A 14 -8.267 -3.098 0.941 1.00 0.00 C ATOM 210 C TYR A 14 -9.570 -2.862 1.704 1.00 0.00 C ATOM 211 O TYR A 14 -10.541 -2.347 1.144 1.00 0.00 O ATOM 212 CB TYR A 14 -8.158 -4.550 0.516 1.00 0.00 C ATOM 213 CG TYR A 14 -9.423 -5.335 0.667 1.00 0.00 C ATOM 214 CD1 TYR A 14 -9.712 -5.980 1.853 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.308 -5.441 -0.382 1.00 0.00 C ATOM 216 CE1 TYR A 14 -10.853 -6.727 1.997 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.462 -6.186 -0.260 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.732 -6.837 0.935 1.00 0.00 C ATOM 219 OH TYR A 14 -12.877 -7.597 1.073 1.00 0.00 O ATOM 0 H TYR A 14 -6.650 -3.579 2.190 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.299 -2.440 0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.844 -4.588 -0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.375 -5.030 1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.026 -5.895 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.096 -4.934 -1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.063 -7.225 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.151 -6.262 -1.089 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.389 -7.572 0.238 1.00 0.00 H new ATOM 229 N GLN A 15 -9.597 -3.281 2.968 1.00 0.00 N ATOM 230 CA GLN A 15 -10.795 -3.165 3.793 1.00 0.00 C ATOM 231 C GLN A 15 -11.400 -1.753 3.763 1.00 0.00 C ATOM 232 O GLN A 15 -12.609 -1.618 3.638 1.00 0.00 O ATOM 233 CB GLN A 15 -10.502 -3.604 5.227 1.00 0.00 C ATOM 234 CG GLN A 15 -9.848 -4.978 5.327 1.00 0.00 C ATOM 235 CD GLN A 15 -9.794 -5.486 6.755 1.00 0.00 C ATOM 236 OE1 GLN A 15 -8.902 -5.125 7.514 1.00 0.00 O ATOM 237 NE2 GLN A 15 -10.746 -6.330 7.130 1.00 0.00 N ATOM 0 H GLN A 15 -8.800 -3.705 3.443 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.543 -3.833 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.851 -2.867 5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.434 -3.613 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.402 -5.687 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.837 -4.927 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.472 -6.607 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.752 -6.702 8.080 1.00 0.00 H new ATOM 246 N LEU A 16 -10.576 -0.711 3.868 1.00 0.00 N ATOM 247 CA LEU A 16 -11.077 0.680 3.839 1.00 0.00 C ATOM 248 C LEU A 16 -12.057 0.926 2.669 1.00 0.00 C ATOM 249 O LEU A 16 -12.989 1.719 2.784 1.00 0.00 O ATOM 250 CB LEU A 16 -9.896 1.652 3.756 1.00 0.00 C ATOM 251 CG LEU A 16 -9.746 2.589 4.953 1.00 0.00 C ATOM 252 CD1 LEU A 16 -8.504 3.453 4.807 1.00 0.00 C ATOM 253 CD2 LEU A 16 -10.989 3.450 5.110 1.00 0.00 C ATOM 0 H LEU A 16 -9.565 -0.793 3.973 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.632 0.851 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.977 1.076 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.003 2.254 2.854 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.632 1.985 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.416 4.113 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.622 2.815 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.582 4.051 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.867 4.112 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.135 4.046 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.857 2.810 5.267 1.00 0.00 H new ATOM 265 N LEU A 17 -11.855 0.199 1.576 1.00 0.00 N ATOM 266 CA LEU A 17 -12.758 0.309 0.420 1.00 0.00 C ATOM 267 C LEU A 17 -14.050 -0.462 0.649 1.00 0.00 C ATOM 268 O LEU A 17 -15.145 0.103 0.603 1.00 0.00 O ATOM 269 CB LEU A 17 -12.131 -0.137 -0.876 1.00 0.00 C ATOM 270 CG LEU A 17 -11.985 0.988 -1.911 1.00 0.00 C ATOM 271 CD1 LEU A 17 -13.350 1.464 -2.376 1.00 0.00 C ATOM 272 CD2 LEU A 17 -11.204 2.152 -1.328 1.00 0.00 C ATOM 0 H LEU A 17 -11.089 -0.465 1.459 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.977 1.373 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.147 -0.557 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.734 -0.937 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.439 0.592 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.227 2.261 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.890 0.633 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.914 1.840 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.111 2.939 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.728 2.541 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.211 1.813 -1.033 1.00 0.00 H new ATOM 284 N LYS A 18 -13.910 -1.754 0.913 1.00 0.00 N ATOM 285 CA LYS A 18 -15.054 -2.618 1.170 1.00 0.00 C ATOM 286 C LYS A 18 -15.775 -2.159 2.426 1.00 0.00 C ATOM 287 O LYS A 18 -16.974 -2.376 2.588 1.00 0.00 O ATOM 288 CB LYS A 18 -14.604 -4.071 1.297 1.00 0.00 C ATOM 289 CG LYS A 18 -13.445 -4.243 2.257 1.00 0.00 C ATOM 290 CD LYS A 18 -13.698 -5.385 3.238 1.00 0.00 C ATOM 291 CE LYS A 18 -13.381 -4.978 4.668 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.333 -5.581 5.648 1.00 0.00 N ATOM 0 H LYS A 18 -13.009 -2.229 0.955 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.747 -2.553 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.443 -4.679 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.315 -4.445 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.532 -4.440 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.287 -3.316 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.740 -5.698 3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.088 -6.245 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.365 -5.285 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.415 -3.892 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.080 -5.277 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.301 -5.268 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.282 -6.618 5.588 1.00 0.00 H new ATOM 306 N ALA A 19 -15.018 -1.497 3.295 1.00 0.00 N ATOM 307 CA ALA A 19 -15.544 -0.959 4.539 1.00 0.00 C ATOM 308 C ALA A 19 -16.740 -0.052 4.261 1.00 0.00 C ATOM 309 O ALA A 19 -17.623 0.100 5.102 1.00 0.00 O ATOM 310 CB ALA A 19 -14.460 -0.204 5.297 1.00 0.00 C ATOM 0 H ALA A 19 -14.023 -1.320 3.154 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.878 -1.789 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.873 0.191 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.637 -0.881 5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.093 0.619 4.684 1.00 0.00 H new ATOM 316 N TYR A 20 -16.769 0.525 3.059 1.00 0.00 N ATOM 317 CA TYR A 20 -17.862 1.387 2.645 1.00 0.00 C ATOM 318 C TYR A 20 -18.963 0.532 2.018 1.00 0.00 C ATOM 319 O TYR A 20 -20.142 0.755 2.293 1.00 0.00 O ATOM 320 CB TYR A 20 -17.360 2.459 1.670 1.00 0.00 C ATOM 321 CG TYR A 20 -16.193 3.265 2.209 1.00 0.00 C ATOM 322 CD1 TYR A 20 -15.898 3.273 3.570 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.381 4.007 1.363 1.00 0.00 C ATOM 324 CE1 TYR A 20 -14.832 3.995 4.065 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.317 4.731 1.854 1.00 0.00 C ATOM 326 CZ TYR A 20 -14.044 4.723 3.206 1.00 0.00 C ATOM 327 OH TYR A 20 -12.979 5.439 3.704 1.00 0.00 O ATOM 0 H TYR A 20 -16.040 0.406 2.355 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.272 1.904 3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.061 1.980 0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.180 3.136 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.515 2.704 4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.587 4.017 0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.617 3.988 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.697 5.304 1.181 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.903 6.290 3.223 1.00 0.00 H new ATOM 337 N ASP A 21 -18.543 -0.469 1.213 1.00 0.00 N ATOM 338 CA ASP A 21 -19.455 -1.434 0.556 1.00 0.00 C ATOM 339 C ASP A 21 -19.307 -1.384 -0.956 1.00 0.00 C ATOM 340 O ASP A 21 -20.244 -1.089 -1.701 1.00 0.00 O ATOM 341 CB ASP A 21 -20.919 -1.252 0.967 1.00 0.00 C ATOM 342 CG ASP A 21 -21.768 -2.465 0.633 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.282 -3.606 0.814 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.919 -2.276 0.191 1.00 0.00 O ATOM 0 H ASP A 21 -17.559 -0.632 0.999 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.156 -2.423 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.972 -1.059 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.328 -0.376 0.465 1.00 0.00 H new ATOM 349 N VAL A 22 -18.091 -1.656 -1.379 1.00 0.00 N ATOM 350 CA VAL A 22 -17.723 -1.644 -2.775 1.00 0.00 C ATOM 351 C VAL A 22 -16.584 -2.613 -3.015 1.00 0.00 C ATOM 352 O VAL A 22 -15.409 -2.276 -2.838 1.00 0.00 O ATOM 353 CB VAL A 22 -17.362 -0.200 -3.198 1.00 0.00 C ATOM 354 CG1 VAL A 22 -16.013 0.241 -2.649 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.414 -0.044 -4.709 1.00 0.00 C ATOM 0 H VAL A 22 -17.322 -1.895 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 22 -18.562 -1.971 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 22 -18.114 0.457 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.804 1.261 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.033 0.203 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.234 -0.425 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.156 0.980 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.704 -0.730 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -18.420 -0.270 -5.064 1.00 0.00 H new ATOM 365 N ASN A 23 -16.934 -3.848 -3.382 1.00 0.00 N ATOM 366 CA ASN A 23 -15.932 -4.888 -3.619 1.00 0.00 C ATOM 367 C ASN A 23 -15.055 -4.555 -4.826 1.00 0.00 C ATOM 368 O ASN A 23 -14.809 -5.399 -5.681 1.00 0.00 O ATOM 369 CB ASN A 23 -16.579 -6.258 -3.799 1.00 0.00 C ATOM 370 CG ASN A 23 -17.493 -6.638 -2.650 1.00 0.00 C ATOM 371 OD1 ASN A 23 -18.303 -5.837 -2.195 1.00 0.00 O ATOM 372 ND2 ASN A 23 -17.366 -7.866 -2.169 1.00 0.00 N ATOM 0 H ASN A 23 -17.898 -4.151 -3.521 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.297 -4.924 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -17.150 -6.265 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.798 -7.012 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.953 -8.173 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.681 -8.504 -2.574 1.00 0.00 H new ATOM 379 N ILE A 24 -14.565 -3.318 -4.819 1.00 0.00 N ATOM 380 CA ILE A 24 -13.663 -2.713 -5.778 1.00 0.00 C ATOM 381 C ILE A 24 -13.726 -3.148 -7.233 1.00 0.00 C ATOM 382 O ILE A 24 -12.844 -2.788 -8.013 1.00 0.00 O ATOM 383 CB ILE A 24 -12.257 -2.818 -5.274 1.00 0.00 C ATOM 384 CG1 ILE A 24 -12.093 -4.052 -4.421 1.00 0.00 C ATOM 385 CG2 ILE A 24 -11.899 -1.575 -4.490 1.00 0.00 C ATOM 386 CD1 ILE A 24 -12.171 -5.288 -5.235 1.00 0.00 C ATOM 0 H ILE A 24 -14.814 -2.663 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.028 -1.687 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.581 -2.902 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.133 -4.014 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.867 -4.071 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.875 -1.657 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.986 -0.701 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.578 -1.471 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.049 -6.157 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.141 -5.337 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.381 -5.280 -5.986 1.00 0.00 H new ATOM 398 N SER A 25 -14.725 -3.907 -7.591 1.00 0.00 N ATOM 399 CA SER A 25 -14.888 -4.389 -8.952 1.00 0.00 C ATOM 400 C SER A 25 -14.445 -3.329 -9.976 1.00 0.00 C ATOM 401 O SER A 25 -13.460 -3.523 -10.718 1.00 0.00 O ATOM 402 CB SER A 25 -16.373 -4.653 -9.122 1.00 0.00 C ATOM 403 OG SER A 25 -16.841 -5.646 -8.231 1.00 0.00 O ATOM 0 H SER A 25 -15.457 -4.215 -6.951 1.00 0.00 H new ATOM 0 HA SER A 25 -14.280 -5.278 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.926 -3.729 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.571 -4.964 -10.148 1.00 0.00 H new ATOM 0 HG SER A 25 -17.801 -5.785 -8.371 1.00 0.00 H new ATOM 409 N GLY A 26 -15.146 -2.193 -9.978 1.00 0.00 N ATOM 410 CA GLY A 26 -14.806 -1.103 -10.876 1.00 0.00 C ATOM 411 C GLY A 26 -13.669 -0.245 -10.349 1.00 0.00 C ATOM 412 O GLY A 26 -13.052 0.499 -11.111 1.00 0.00 O ATOM 0 H GLY A 26 -15.945 -2.011 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.528 -1.511 -11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.685 -0.478 -11.032 1.00 0.00 H new ATOM 416 N LEU A 27 -13.382 -0.348 -9.047 1.00 0.00 N ATOM 417 CA LEU A 27 -12.310 0.416 -8.437 1.00 0.00 C ATOM 418 C LEU A 27 -10.968 -0.065 -8.970 1.00 0.00 C ATOM 419 O LEU A 27 -10.247 0.706 -9.602 1.00 0.00 O ATOM 420 CB LEU A 27 -12.362 0.296 -6.912 1.00 0.00 C ATOM 421 CG LEU A 27 -11.204 0.956 -6.155 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.962 0.085 -6.218 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.914 2.337 -6.717 1.00 0.00 C ATOM 0 H LEU A 27 -13.884 -0.957 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.434 1.468 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.297 0.734 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.388 -0.762 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.496 1.066 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.150 0.569 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.174 -0.884 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.669 -0.057 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.089 2.788 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.644 2.252 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.801 2.963 -6.619 1.00 0.00 H new ATOM 435 N VAL A 28 -10.642 -1.348 -8.736 1.00 0.00 N ATOM 436 CA VAL A 28 -9.392 -1.904 -9.234 1.00 0.00 C ATOM 437 C VAL A 28 -9.187 -1.473 -10.689 1.00 0.00 C ATOM 438 O VAL A 28 -8.310 -0.661 -10.973 1.00 0.00 O ATOM 439 CB VAL A 28 -9.386 -3.440 -9.121 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.102 -4.019 -9.694 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.567 -3.862 -7.669 1.00 0.00 C ATOM 0 H VAL A 28 -11.223 -2.003 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.572 -1.524 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.220 -3.832 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.120 -5.105 -9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.016 -3.744 -10.745 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.248 -3.623 -9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.561 -4.950 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.752 -3.457 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.517 -3.481 -7.295 1.00 0.00 H new ATOM 451 N SER A 29 -10.042 -1.983 -11.584 1.00 0.00 N ATOM 452 CA SER A 29 -10.013 -1.655 -13.007 1.00 0.00 C ATOM 453 C SER A 29 -9.931 -0.137 -13.258 1.00 0.00 C ATOM 454 O SER A 29 -9.226 0.292 -14.172 1.00 0.00 O ATOM 455 CB SER A 29 -11.278 -2.212 -13.672 1.00 0.00 C ATOM 456 OG SER A 29 -12.379 -2.206 -12.772 1.00 0.00 O ATOM 0 H SER A 29 -10.780 -2.642 -11.334 1.00 0.00 H new ATOM 0 HA SER A 29 -9.117 -2.105 -13.435 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.521 -1.617 -14.552 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.093 -3.229 -14.017 1.00 0.00 H new ATOM 0 HG SER A 29 -12.423 -3.065 -12.303 1.00 0.00 H new ATOM 462 N THR A 30 -10.603 0.684 -12.439 1.00 0.00 N ATOM 463 CA THR A 30 -10.526 2.136 -12.611 1.00 0.00 C ATOM 464 C THR A 30 -9.130 2.579 -12.255 1.00 0.00 C ATOM 465 O THR A 30 -8.450 3.245 -13.041 1.00 0.00 O ATOM 466 CB THR A 30 -11.532 2.871 -11.726 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.848 2.655 -12.189 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.299 4.369 -11.672 1.00 0.00 C ATOM 0 H THR A 30 -11.193 0.374 -11.667 1.00 0.00 H new ATOM 0 HA THR A 30 -10.765 2.377 -13.647 1.00 0.00 H new ATOM 0 HB THR A 30 -11.394 2.465 -10.724 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.002 1.694 -12.301 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.047 4.831 -11.027 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.304 4.568 -11.274 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.378 4.786 -12.676 1.00 0.00 H new ATOM 476 N THR A 31 -8.700 2.175 -11.063 1.00 0.00 N ATOM 477 CA THR A 31 -7.370 2.495 -10.603 1.00 0.00 C ATOM 478 C THR A 31 -6.360 1.988 -11.630 1.00 0.00 C ATOM 479 O THR A 31 -5.334 2.625 -11.887 1.00 0.00 O ATOM 480 CB THR A 31 -7.102 1.894 -9.215 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.830 2.601 -8.216 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.638 1.910 -8.821 1.00 0.00 C ATOM 0 H THR A 31 -9.257 1.628 -10.407 1.00 0.00 H new ATOM 0 HA THR A 31 -7.272 3.576 -10.503 1.00 0.00 H new ATOM 0 HB THR A 31 -7.426 0.855 -9.282 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.209 3.123 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.523 1.471 -7.830 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.061 1.333 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.276 2.938 -8.806 1.00 0.00 H new ATOM 490 N MET A 32 -6.686 0.837 -12.232 1.00 0.00 N ATOM 491 CA MET A 32 -5.847 0.225 -13.254 1.00 0.00 C ATOM 492 C MET A 32 -5.610 1.186 -14.413 1.00 0.00 C ATOM 493 O MET A 32 -4.473 1.461 -14.754 1.00 0.00 O ATOM 494 CB MET A 32 -6.468 -1.081 -13.768 1.00 0.00 C ATOM 495 CG MET A 32 -6.783 -2.089 -12.673 1.00 0.00 C ATOM 496 SD MET A 32 -5.622 -2.027 -11.309 1.00 0.00 S ATOM 497 CE MET A 32 -5.042 -3.712 -11.346 1.00 0.00 C ATOM 0 H MET A 32 -7.535 0.312 -12.022 1.00 0.00 H new ATOM 0 HA MET A 32 -4.886 -0.008 -12.795 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.386 -0.847 -14.307 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.785 -1.539 -14.484 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.789 -1.905 -12.295 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.781 -3.092 -13.099 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.241 -3.837 -10.617 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.864 -4.385 -11.101 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.666 -3.946 -12.342 1.00 0.00 H new ATOM 507 N GLN A 33 -6.685 1.700 -15.012 1.00 0.00 N ATOM 508 CA GLN A 33 -6.566 2.638 -16.136 1.00 0.00 C ATOM 509 C GLN A 33 -5.719 3.850 -15.758 1.00 0.00 C ATOM 510 O GLN A 33 -4.793 4.219 -16.478 1.00 0.00 O ATOM 511 CB GLN A 33 -7.960 3.080 -16.621 1.00 0.00 C ATOM 512 CG GLN A 33 -8.175 4.594 -16.676 1.00 0.00 C ATOM 513 CD GLN A 33 -9.108 5.017 -17.795 1.00 0.00 C ATOM 514 OE1 GLN A 33 -8.684 5.631 -18.772 1.00 0.00 O ATOM 515 NE2 GLN A 33 -10.384 4.692 -17.660 1.00 0.00 N ATOM 0 H GLN A 33 -7.645 1.486 -14.741 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.062 2.121 -16.952 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.130 2.668 -17.616 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.712 2.645 -15.963 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.581 4.933 -15.723 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.212 5.088 -16.806 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.696 4.182 -16.834 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.056 4.952 -18.382 1.00 0.00 H new ATOM 524 N ASN A 34 -6.041 4.464 -14.626 1.00 0.00 N ATOM 525 CA ASN A 34 -5.306 5.637 -14.160 1.00 0.00 C ATOM 526 C ASN A 34 -3.833 5.307 -13.951 1.00 0.00 C ATOM 527 O ASN A 34 -2.959 5.990 -14.494 1.00 0.00 O ATOM 528 CB ASN A 34 -5.945 6.180 -12.879 1.00 0.00 C ATOM 529 CG ASN A 34 -7.392 6.574 -13.086 1.00 0.00 C ATOM 530 OD1 ASN A 34 -7.786 6.983 -14.176 1.00 0.00 O ATOM 531 ND2 ASN A 34 -8.196 6.442 -12.042 1.00 0.00 N ATOM 0 H ASN A 34 -6.803 4.172 -14.014 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.360 6.413 -14.924 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.884 5.424 -12.096 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.380 7.045 -12.532 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.183 6.684 -12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.828 6.099 -11.155 1.00 0.00 H new ATOM 538 N GLU A 35 -3.552 4.243 -13.204 1.00 0.00 N ATOM 539 CA GLU A 35 -2.169 3.841 -12.990 1.00 0.00 C ATOM 540 C GLU A 35 -1.599 3.189 -14.258 1.00 0.00 C ATOM 541 O GLU A 35 -0.391 3.062 -14.403 1.00 0.00 O ATOM 542 CB GLU A 35 -2.043 2.908 -11.781 1.00 0.00 C ATOM 543 CG GLU A 35 -0.659 2.272 -11.633 1.00 0.00 C ATOM 544 CD GLU A 35 0.463 3.277 -11.376 1.00 0.00 C ATOM 545 OE1 GLU A 35 0.365 4.437 -11.839 1.00 0.00 O ATOM 546 OE2 GLU A 35 1.451 2.897 -10.717 1.00 0.00 O ATOM 0 H GLU A 35 -4.249 3.655 -12.746 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.583 4.734 -12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.273 3.469 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.789 2.117 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.686 1.555 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.430 1.711 -12.539 1.00 0.00 H new ATOM 553 N ALA A 36 -2.468 2.813 -15.197 1.00 0.00 N ATOM 554 CA ALA A 36 -2.034 2.224 -16.460 1.00 0.00 C ATOM 555 C ALA A 36 -1.677 3.325 -17.446 1.00 0.00 C ATOM 556 O ALA A 36 -0.779 3.170 -18.267 1.00 0.00 O ATOM 557 CB ALA A 36 -3.130 1.349 -17.037 1.00 0.00 C ATOM 0 H ALA A 36 -3.479 2.907 -15.104 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.154 1.607 -16.277 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.792 0.916 -17.979 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.365 0.550 -16.334 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.021 1.951 -17.213 1.00 0.00 H new ATOM 563 N ARG A 37 -2.384 4.444 -17.343 1.00 0.00 N ATOM 564 CA ARG A 37 -2.126 5.590 -18.196 1.00 0.00 C ATOM 565 C ARG A 37 -0.861 6.275 -17.748 1.00 0.00 C ATOM 566 O ARG A 37 0.037 6.564 -18.542 1.00 0.00 O ATOM 567 CB ARG A 37 -3.234 6.616 -18.086 1.00 0.00 C ATOM 568 CG ARG A 37 -4.097 6.739 -19.329 1.00 0.00 C ATOM 569 CD ARG A 37 -3.252 6.809 -20.593 1.00 0.00 C ATOM 570 NE ARG A 37 -3.431 8.078 -21.303 1.00 0.00 N ATOM 571 CZ ARG A 37 -2.478 8.691 -22.000 1.00 0.00 C ATOM 572 NH1 ARG A 37 -1.265 8.174 -22.085 1.00 0.00 N ATOM 573 NH2 ARG A 37 -2.743 9.828 -22.613 1.00 0.00 N ATOM 0 H ARG A 37 -3.142 4.579 -16.674 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.051 5.223 -19.220 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.871 6.357 -17.240 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.793 7.588 -17.867 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.773 5.886 -19.389 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.717 7.632 -19.255 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.201 6.684 -20.334 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.518 5.983 -21.253 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.349 8.522 -21.260 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.051 7.295 -21.613 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.543 8.653 -22.622 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.676 10.235 -22.552 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.015 10.301 -23.148 1.00 0.00 H new ATOM 587 N ARG A 38 -0.834 6.570 -16.455 1.00 0.00 N ATOM 588 CA ARG A 38 0.287 7.264 -15.865 1.00 0.00 C ATOM 589 C ARG A 38 1.449 6.314 -15.510 1.00 0.00 C ATOM 590 O ARG A 38 2.616 6.670 -15.679 1.00 0.00 O ATOM 591 CB ARG A 38 -0.161 8.030 -14.615 1.00 0.00 C ATOM 592 CG ARG A 38 0.757 9.188 -14.243 1.00 0.00 C ATOM 593 CD ARG A 38 2.063 8.696 -13.634 1.00 0.00 C ATOM 594 NE ARG A 38 2.509 9.540 -12.520 1.00 0.00 N ATOM 595 CZ ARG A 38 3.028 10.754 -12.658 1.00 0.00 C ATOM 596 NH1 ARG A 38 3.184 11.286 -13.857 1.00 0.00 N ATOM 597 NH2 ARG A 38 3.400 11.434 -11.591 1.00 0.00 N ATOM 0 H ARG A 38 -1.580 6.336 -15.800 1.00 0.00 H new ATOM 0 HA ARG A 38 0.657 7.965 -16.613 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.168 8.414 -14.777 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.215 7.337 -13.775 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.971 9.783 -15.131 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.249 9.843 -13.535 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.935 7.672 -13.283 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.835 8.675 -14.403 1.00 0.00 H new ATOM 0 HE ARG A 38 2.414 9.169 -11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.905 10.763 -14.687 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.584 12.220 -13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.289 11.027 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.799 12.367 -11.694 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.683 -12.912 6.216 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.586 -12.593 4.788 1.00 0.00 C ATOM 1186 C LYS B 102 -6.966 -12.589 4.137 1.00 0.00 C ATOM 1187 O LYS B 102 -7.722 -13.556 4.250 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.667 -13.575 4.051 1.00 0.00 C ATOM 1189 CG LYS B 102 -3.231 -13.566 4.554 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.327 -12.736 3.653 1.00 0.00 C ATOM 1191 CE LYS B 102 -2.274 -11.281 4.091 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.871 -10.776 4.150 1.00 0.00 N ATOM 0 HA LYS B 102 -5.153 -11.596 4.710 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.071 -14.582 4.152 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.671 -13.335 2.988 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -3.202 -13.166 5.567 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.856 -14.588 4.604 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -1.321 -13.155 3.662 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -2.687 -12.793 2.626 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.852 -10.670 3.398 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -2.740 -11.178 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -0.873 -9.781 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.326 -11.343 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.435 -10.851 3.209 1.00 0.00 H new ATOM 1206 N GLN B 103 -7.290 -11.507 3.438 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.574 -11.412 2.764 1.00 0.00 C ATOM 1208 C GLN B 103 -8.386 -11.352 1.264 1.00 0.00 C ATOM 1209 O GLN B 103 -7.775 -10.423 0.734 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.380 -10.201 3.248 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.612 -9.921 2.394 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.897 -10.483 2.977 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.879 -11.415 3.774 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -13.025 -9.913 2.576 1.00 0.00 N ATOM 0 H GLN B 103 -6.687 -10.692 3.325 1.00 0.00 H new ATOM 0 HA GLN B 103 -9.140 -12.310 3.013 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.691 -10.368 4.279 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.737 -9.321 3.247 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.720 -8.844 2.270 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.459 -10.343 1.401 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.997 -9.140 1.911 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.920 -10.248 2.932 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.896 -12.364 0.591 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.767 -12.456 -0.844 1.00 0.00 C ATOM 1225 C ARG B 104 -9.763 -11.565 -1.565 1.00 0.00 C ATOM 1226 O ARG B 104 -10.958 -11.855 -1.602 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.990 -13.894 -1.293 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.031 -14.347 -2.370 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.046 -15.853 -2.511 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.727 -16.431 -2.259 1.00 0.00 N ATOM 1231 CZ ARG B 104 -6.159 -16.539 -1.065 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.807 -16.201 0.034 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.937 -17.016 -0.975 1.00 0.00 N ATOM 0 H ARG B 104 -9.406 -13.136 1.020 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.760 -12.124 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.893 -14.554 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -10.011 -13.997 -1.661 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.302 -13.887 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.023 -14.011 -2.129 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.769 -16.277 -1.814 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.376 -16.122 -3.515 1.00 0.00 H new ATOM 0 HE ARG B 104 -6.203 -16.778 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.763 -15.849 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.352 -16.292 0.942 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.436 -17.298 -1.818 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.490 -17.104 -0.063 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.249 -10.525 -2.203 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.079 -9.644 -3.006 1.00 0.00 C ATOM 1249 C ILE B 105 -9.625 -9.780 -4.436 1.00 0.00 C ATOM 1250 O ILE B 105 -8.462 -9.511 -4.754 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.028 -8.156 -2.582 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.595 -7.271 -3.761 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.115 -7.975 -1.377 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.617 -5.794 -3.461 1.00 0.00 C ATOM 0 H ILE B 105 -8.261 -10.271 -2.180 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.117 -9.947 -2.866 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.029 -7.842 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.587 -7.555 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -10.250 -7.468 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -9.091 -6.923 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -9.491 -8.567 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.108 -8.305 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -9.299 -5.239 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -10.629 -5.493 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.940 -5.581 -2.634 1.00 0.00 H new ATOM 1266 N THR B 106 -10.513 -10.220 -5.291 1.00 0.00 N ATOM 1267 CA THR B 106 -10.159 -10.405 -6.677 1.00 0.00 C ATOM 1268 C THR B 106 -11.075 -9.627 -7.598 1.00 0.00 C ATOM 1269 O THR B 106 -12.295 -9.762 -7.530 1.00 0.00 O ATOM 1270 CB THR B 106 -10.159 -11.895 -7.051 1.00 0.00 C ATOM 1271 OG1 THR B 106 -10.657 -12.065 -8.361 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.974 -12.796 -6.133 1.00 0.00 C ATOM 0 H THR B 106 -11.477 -10.455 -5.056 1.00 0.00 H new ATOM 0 HA THR B 106 -9.149 -10.016 -6.807 1.00 0.00 H new ATOM 0 HB THR B 106 -9.116 -12.198 -6.955 1.00 0.00 H new ATOM 0 HG1 THR B 106 -9.977 -11.785 -9.008 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.909 -13.826 -6.483 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.581 -12.732 -5.118 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.016 -12.476 -6.140 1.00 0.00 H new ATOM 1280 N VAL B 107 -10.476 -8.890 -8.529 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.239 -8.184 -9.539 1.00 0.00 C ATOM 1282 C VAL B 107 -11.167 -8.999 -10.828 1.00 0.00 C ATOM 1283 O VAL B 107 -10.280 -8.799 -11.654 1.00 0.00 O ATOM 1284 CB VAL B 107 -10.786 -6.695 -9.738 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.713 -6.275 -11.220 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.740 -5.792 -8.978 1.00 0.00 C ATOM 0 H VAL B 107 -9.466 -8.770 -8.600 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.274 -8.098 -9.210 1.00 0.00 H new ATOM 0 HB VAL B 107 -9.772 -6.600 -9.349 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -10.394 -5.235 -11.288 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.997 -6.909 -11.743 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -11.696 -6.384 -11.678 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.438 -4.753 -9.107 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -12.751 -5.926 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -11.717 -6.048 -7.919 1.00 0.00 H new ATOM 1296 N THR B 108 -12.075 -9.963 -10.974 1.00 0.00 N ATOM 1297 CA THR B 108 -12.099 -10.820 -12.147 1.00 0.00 C ATOM 1298 C THR B 108 -12.419 -9.975 -13.366 1.00 0.00 C ATOM 1299 O THR B 108 -13.555 -9.928 -13.837 1.00 0.00 O ATOM 1300 CB THR B 108 -13.113 -11.939 -11.957 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.413 -11.433 -11.744 1.00 0.00 O ATOM 1302 CG2 THR B 108 -12.788 -12.828 -10.812 1.00 0.00 C ATOM 0 H THR B 108 -12.803 -10.166 -10.290 1.00 0.00 H new ATOM 0 HA THR B 108 -11.124 -11.286 -12.293 1.00 0.00 H new ATOM 0 HB THR B 108 -13.071 -12.514 -12.882 1.00 0.00 H new ATOM 0 HG1 THR B 108 -14.609 -10.743 -12.412 1.00 0.00 H new ATOM 0 HG21 THR B 108 -13.547 -13.606 -10.728 1.00 0.00 H new ATOM 0 HG22 THR B 108 -11.813 -13.289 -10.974 1.00 0.00 H new ATOM 0 HG23 THR B 108 -12.764 -12.243 -9.893 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.403 -9.258 -13.814 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.521 -8.334 -14.924 1.00 0.00 C ATOM 1312 C VAL B 109 -10.795 -8.854 -16.187 1.00 0.00 C ATOM 1313 O VAL B 109 -11.185 -9.903 -16.700 1.00 0.00 O ATOM 1314 CB VAL B 109 -11.027 -6.940 -14.461 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -9.586 -6.994 -13.958 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -11.208 -5.893 -15.543 1.00 0.00 C ATOM 0 H VAL B 109 -10.466 -9.303 -13.413 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.566 -8.245 -15.222 1.00 0.00 H new ATOM 0 HB VAL B 109 -11.650 -6.639 -13.619 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.273 -5.999 -13.642 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -9.521 -7.680 -13.114 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -8.934 -7.342 -14.759 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -10.850 -4.929 -15.180 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.640 -6.182 -16.427 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -12.264 -5.814 -15.800 1.00 0.00 H new ATOM 1326 N ASP B 110 -9.807 -8.098 -16.718 1.00 0.00 N ATOM 1327 CA ASP B 110 -9.080 -8.453 -17.964 1.00 0.00 C ATOM 1328 C ASP B 110 -9.736 -7.759 -19.151 1.00 0.00 C ATOM 1329 O ASP B 110 -9.700 -8.212 -20.296 1.00 0.00 O ATOM 1330 CB ASP B 110 -9.117 -9.926 -18.210 1.00 0.00 C ATOM 1331 CG ASP B 110 -7.813 -10.483 -18.745 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -6.763 -10.270 -18.095 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -7.840 -11.129 -19.810 1.00 0.00 O ATOM 0 H ASP B 110 -9.490 -7.225 -16.297 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.044 -8.133 -17.849 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -9.366 -10.436 -17.279 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -9.915 -10.148 -18.918 1.00 0.00 H new ATOM 1338 N SER B 111 -10.317 -6.650 -18.818 1.00 0.00 N ATOM 1339 CA SER B 111 -11.016 -5.790 -19.762 1.00 0.00 C ATOM 1340 C SER B 111 -11.050 -4.337 -19.290 1.00 0.00 C ATOM 1341 O SER B 111 -10.702 -3.429 -20.052 1.00 0.00 O ATOM 1342 CB SER B 111 -12.444 -6.301 -19.984 1.00 0.00 C ATOM 1343 OG SER B 111 -13.146 -5.488 -20.913 1.00 0.00 O ATOM 0 H SER B 111 -10.327 -6.295 -17.862 1.00 0.00 H new ATOM 0 HA SER B 111 -10.467 -5.821 -20.703 1.00 0.00 H new ATOM 0 HB2 SER B 111 -12.412 -7.328 -20.348 1.00 0.00 H new ATOM 0 HB3 SER B 111 -12.979 -6.316 -19.034 1.00 0.00 H new ATOM 0 HG SER B 111 -14.053 -5.839 -21.035 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.507 -4.106 -18.054 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.629 -2.749 -17.537 1.00 0.00 C ATOM 1351 C ASP B 112 -10.285 -2.117 -17.144 1.00 0.00 C ATOM 1352 O ASP B 112 -10.124 -1.610 -16.037 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.621 -2.746 -16.370 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.966 -3.326 -16.770 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -14.525 -2.875 -17.794 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.454 -4.236 -16.069 1.00 0.00 O ATOM 0 H ASP B 112 -11.794 -4.837 -17.403 1.00 0.00 H new ATOM 0 HA ASP B 112 -12.007 -2.120 -18.343 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -12.209 -3.322 -15.542 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.757 -1.726 -16.012 1.00 0.00 H new ATOM 1361 N SER B 113 -9.335 -2.107 -18.082 1.00 0.00 N ATOM 1362 CA SER B 113 -8.016 -1.484 -17.868 1.00 0.00 C ATOM 1363 C SER B 113 -7.104 -2.229 -16.887 1.00 0.00 C ATOM 1364 O SER B 113 -5.954 -1.824 -16.701 1.00 0.00 O ATOM 1365 CB SER B 113 -8.198 -0.047 -17.389 1.00 0.00 C ATOM 1366 OG SER B 113 -8.294 0.841 -18.491 1.00 0.00 O ATOM 0 H SER B 113 -9.451 -2.525 -19.005 1.00 0.00 H new ATOM 0 HA SER B 113 -7.515 -1.524 -18.835 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.097 0.026 -16.777 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.358 0.240 -16.757 1.00 0.00 H new ATOM 0 HG SER B 113 -9.210 1.182 -18.557 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.582 -3.309 -16.270 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.753 -4.071 -15.328 1.00 0.00 C ATOM 1374 C TYR B 114 -5.438 -4.513 -15.979 1.00 0.00 C ATOM 1375 O TYR B 114 -4.353 -4.286 -15.440 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.500 -5.300 -14.815 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.593 -6.489 -14.599 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.918 -6.668 -13.399 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.388 -7.412 -15.613 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -5.065 -7.734 -13.222 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.543 -8.481 -15.443 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.878 -8.641 -14.248 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.019 -9.706 -14.080 1.00 0.00 O ATOM 0 H TYR B 114 -8.525 -3.675 -16.400 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.528 -3.412 -14.489 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.996 -5.052 -13.877 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.280 -5.569 -15.527 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -6.064 -5.962 -12.595 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -6.903 -7.288 -16.554 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.544 -7.861 -12.285 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.401 -9.193 -16.243 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.061 -10.287 -14.868 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.559 -5.188 -17.122 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.407 -5.725 -17.842 1.00 0.00 C ATOM 1395 C GLN B 115 -3.284 -4.700 -18.060 1.00 0.00 C ATOM 1396 O GLN B 115 -2.120 -5.040 -17.899 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.860 -6.297 -19.186 1.00 0.00 C ATOM 1398 CG GLN B 115 -5.799 -7.489 -19.057 1.00 0.00 C ATOM 1399 CD GLN B 115 -5.539 -8.553 -20.106 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -4.486 -9.193 -20.108 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.491 -8.752 -21.002 1.00 0.00 N ATOM 0 H GLN B 115 -6.455 -5.377 -17.572 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.986 -6.511 -17.214 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.359 -5.513 -19.756 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.982 -6.597 -19.758 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -5.689 -7.928 -18.065 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.830 -7.145 -19.141 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.349 -8.201 -20.966 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -6.368 -9.457 -21.729 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.617 -3.467 -18.431 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.590 -2.436 -18.670 1.00 0.00 C ATOM 1412 C LEU B 116 -1.613 -2.292 -17.490 1.00 0.00 C ATOM 1413 O LEU B 116 -0.440 -1.973 -17.684 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.242 -1.085 -18.935 1.00 0.00 C ATOM 1415 CG LEU B 116 -2.784 -0.379 -20.213 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.715 0.776 -20.547 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.355 0.117 -20.064 1.00 0.00 C ATOM 0 H LEU B 116 -4.576 -3.151 -18.574 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.024 -2.761 -19.543 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.322 -1.224 -18.983 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.042 -0.431 -18.086 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.817 -1.097 -21.033 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.374 1.266 -21.459 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.726 0.397 -20.695 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.713 1.494 -19.727 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.046 0.616 -20.982 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.298 0.819 -19.232 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.695 -0.728 -19.871 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.110 -2.540 -16.280 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.252 -2.442 -15.091 1.00 0.00 C ATOM 1431 C LEU B 117 -0.354 -3.662 -14.946 1.00 0.00 C ATOM 1432 O LEU B 117 0.867 -3.549 -14.848 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.058 -2.240 -13.822 1.00 0.00 C ATOM 1434 CG LEU B 117 -1.625 -1.029 -13.007 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -2.821 -0.226 -12.568 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -0.802 -1.463 -11.812 1.00 0.00 C ATOM 0 H LEU B 117 -3.077 -2.804 -16.094 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.624 -1.563 -15.238 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.111 -2.133 -14.084 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -1.973 -3.133 -13.202 1.00 0.00 H new ATOM 0 HG LEU B 117 -1.005 -0.393 -13.639 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.488 0.634 -11.987 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.370 0.118 -13.445 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -3.472 -0.849 -11.954 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.500 -0.586 -11.240 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.398 -2.121 -11.180 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.085 -1.995 -12.155 1.00 0.00 H new ATOM 1448 N LYS B 118 -0.970 -4.827 -14.955 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.238 -6.085 -14.843 1.00 0.00 C ATOM 1450 C LYS B 118 0.623 -6.292 -16.078 1.00 0.00 C ATOM 1451 O LYS B 118 1.676 -6.927 -16.028 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.217 -7.241 -14.680 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.265 -7.242 -15.770 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.400 -8.615 -16.418 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.481 -8.515 -17.932 1.00 0.00 C ATOM 1456 NZ LYS B 118 -2.762 -9.834 -18.572 1.00 0.00 N ATOM 0 H LYS B 118 -1.981 -4.935 -15.039 1.00 0.00 H new ATOM 0 HA LYS B 118 0.409 -6.048 -13.966 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.672 -8.185 -14.698 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.703 -7.172 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.225 -6.940 -15.352 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.002 -6.505 -16.529 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.548 -9.235 -16.139 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.293 -9.111 -16.038 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.263 -7.807 -18.206 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.542 -8.119 -18.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -1.901 -10.184 -19.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -3.063 -10.515 -17.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -3.518 -9.724 -19.277 1.00 0.00 H new ATOM 1470 N ALA B 119 0.158 -5.718 -17.179 1.00 0.00 N ATOM 1471 CA ALA B 119 0.854 -5.786 -18.449 1.00 0.00 C ATOM 1472 C ALA B 119 2.249 -5.195 -18.316 1.00 0.00 C ATOM 1473 O ALA B 119 3.176 -5.614 -19.011 1.00 0.00 O ATOM 1474 CB ALA B 119 0.071 -5.059 -19.534 1.00 0.00 C ATOM 0 H ALA B 119 -0.715 -5.192 -17.213 1.00 0.00 H new ATOM 0 HA ALA B 119 0.942 -6.834 -18.737 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.612 -5.123 -20.478 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.910 -5.521 -19.646 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.050 -4.012 -19.256 1.00 0.00 H new ATOM 1480 N TYR B 120 2.397 -4.227 -17.407 1.00 0.00 N ATOM 1481 CA TYR B 120 3.685 -3.613 -17.187 1.00 0.00 C ATOM 1482 C TYR B 120 4.475 -4.394 -16.131 1.00 0.00 C ATOM 1483 O TYR B 120 5.653 -4.663 -16.360 1.00 0.00 O ATOM 1484 CB TYR B 120 3.556 -2.099 -16.896 1.00 0.00 C ATOM 1485 CG TYR B 120 3.085 -1.683 -15.518 1.00 0.00 C ATOM 1486 CD1 TYR B 120 3.802 -1.995 -14.373 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.929 -0.922 -15.381 1.00 0.00 C ATOM 1488 CE1 TYR B 120 3.376 -1.567 -13.130 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.495 -0.496 -14.148 1.00 0.00 C ATOM 1490 CZ TYR B 120 2.222 -0.820 -13.022 1.00 0.00 C ATOM 1491 OH TYR B 120 1.803 -0.389 -11.786 1.00 0.00 O ATOM 0 H TYR B 120 1.643 -3.863 -16.824 1.00 0.00 H new ATOM 0 HA TYR B 120 4.268 -3.668 -18.106 1.00 0.00 H new ATOM 0 HB2 TYR B 120 4.529 -1.640 -17.070 1.00 0.00 H new ATOM 0 HB3 TYR B 120 2.868 -1.675 -17.627 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.706 -2.581 -14.454 1.00 0.00 H new ATOM 0 HD2 TYR B 120 1.361 -0.660 -16.261 1.00 0.00 H new ATOM 0 HE1 TYR B 120 3.945 -1.817 -12.246 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.591 0.088 -14.062 1.00 0.00 H new ATOM 0 HH TYR B 120 1.319 0.457 -11.882 1.00 0.00 H new ATOM 1501 N ASP B 121 3.816 -4.818 -15.017 1.00 0.00 N ATOM 1502 CA ASP B 121 4.490 -5.642 -13.972 1.00 0.00 C ATOM 1503 C ASP B 121 3.898 -5.443 -12.572 1.00 0.00 C ATOM 1504 O ASP B 121 4.614 -5.545 -11.573 1.00 0.00 O ATOM 1505 CB ASP B 121 6.004 -5.361 -13.906 1.00 0.00 C ATOM 1506 CG ASP B 121 6.840 -6.525 -14.404 1.00 0.00 C ATOM 1507 OD1 ASP B 121 6.438 -7.688 -14.180 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.903 -6.275 -15.005 1.00 0.00 O ATOM 0 H ASP B 121 2.837 -4.608 -14.821 1.00 0.00 H new ATOM 0 HA ASP B 121 4.318 -6.674 -14.277 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.231 -4.476 -14.500 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.282 -5.134 -12.877 1.00 0.00 H new ATOM 1513 N VAL B 122 2.603 -5.162 -12.497 1.00 0.00 N ATOM 1514 CA VAL B 122 1.939 -4.935 -11.213 1.00 0.00 C ATOM 1515 C VAL B 122 0.437 -5.062 -11.347 1.00 0.00 C ATOM 1516 O VAL B 122 -0.235 -4.111 -11.739 1.00 0.00 O ATOM 1517 CB VAL B 122 2.255 -3.516 -10.687 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.424 -3.189 -9.456 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.734 -3.354 -10.383 1.00 0.00 C ATOM 0 H VAL B 122 1.989 -5.085 -13.308 1.00 0.00 H new ATOM 0 HA VAL B 122 2.310 -5.689 -10.518 1.00 0.00 H new ATOM 0 HB VAL B 122 1.992 -2.813 -11.477 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.668 -2.185 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.365 -3.238 -9.708 1.00 0.00 H new ATOM 0 HG13 VAL B 122 1.643 -3.909 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.922 -2.345 -10.015 1.00 0.00 H new ATOM 0 HG22 VAL B 122 4.031 -4.078 -9.624 1.00 0.00 H new ATOM 0 HG23 VAL B 122 4.313 -3.523 -11.291 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.104 -6.226 -11.005 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.546 -6.402 -11.070 1.00 0.00 C ATOM 1531 C ASN B 123 -2.161 -5.385 -10.106 1.00 0.00 C ATOM 1532 O ASN B 123 -2.546 -4.294 -10.522 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.964 -7.852 -10.736 1.00 0.00 C ATOM 1534 CG ASN B 123 -0.874 -8.870 -11.027 1.00 0.00 C ATOM 1535 OD1 ASN B 123 0.222 -8.787 -10.477 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -1.164 -9.833 -11.890 1.00 0.00 N ATOM 0 H ASN B 123 0.420 -7.042 -10.688 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.909 -6.229 -12.083 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -2.236 -7.911 -9.682 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.854 -8.108 -11.310 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -0.465 -10.540 -12.119 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -2.086 -9.867 -12.325 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.228 -5.725 -8.819 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.775 -4.789 -7.834 1.00 0.00 C ATOM 1545 C ILE B 124 -2.487 -5.125 -6.372 1.00 0.00 C ATOM 1546 O ILE B 124 -3.016 -4.439 -5.496 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.295 -4.606 -7.960 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.893 -5.609 -8.923 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.630 -3.187 -8.389 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.569 -7.021 -8.538 1.00 0.00 C ATOM 0 H ILE B 124 -1.919 -6.620 -8.439 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.244 -3.871 -8.086 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.734 -4.784 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -5.975 -5.481 -8.954 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.520 -5.413 -9.928 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -5.711 -3.078 -8.473 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.250 -2.484 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.169 -2.980 -9.355 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.018 -7.706 -9.257 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.488 -7.158 -8.533 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.965 -7.227 -7.544 1.00 0.00 H new ATOM 1562 N SER B 125 -1.716 -6.179 -6.080 1.00 0.00 N ATOM 1563 CA SER B 125 -1.479 -6.542 -4.670 1.00 0.00 C ATOM 1564 C SER B 125 -1.319 -5.288 -3.792 1.00 0.00 C ATOM 1565 O SER B 125 -2.154 -5.015 -2.913 1.00 0.00 O ATOM 1566 CB SER B 125 -0.224 -7.400 -4.536 1.00 0.00 C ATOM 1567 OG SER B 125 0.842 -6.872 -5.308 1.00 0.00 O ATOM 0 H SER B 125 -1.259 -6.778 -6.768 1.00 0.00 H new ATOM 0 HA SER B 125 -2.347 -7.108 -4.332 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.073 -7.453 -3.489 1.00 0.00 H new ATOM 0 HB3 SER B 125 -0.440 -8.419 -4.858 1.00 0.00 H new ATOM 0 HG SER B 125 1.634 -7.439 -5.203 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.272 -4.510 -4.060 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.045 -3.280 -3.312 1.00 0.00 C ATOM 1575 C GLY B 126 -0.827 -2.108 -3.883 1.00 0.00 C ATOM 1576 O GLY B 126 -1.211 -1.194 -3.148 1.00 0.00 O ATOM 0 H GLY B 126 0.423 -4.707 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.330 -3.432 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.019 -3.043 -3.320 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.074 -2.141 -5.198 1.00 0.00 N ATOM 1581 CA LEU B 127 -1.820 -1.092 -5.873 1.00 0.00 C ATOM 1582 C LEU B 127 -3.215 -0.948 -5.306 1.00 0.00 C ATOM 1583 O LEU B 127 -3.581 0.117 -4.817 1.00 0.00 O ATOM 1584 CB LEU B 127 -1.947 -1.393 -7.353 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.385 -0.205 -8.189 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -1.232 0.764 -8.355 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.908 -0.681 -9.527 1.00 0.00 C ATOM 0 H LEU B 127 -0.762 -2.893 -5.813 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.267 -0.166 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -0.987 -1.751 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -2.663 -2.203 -7.488 1.00 0.00 H new ATOM 0 HG LEU B 127 -3.193 0.321 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -1.555 1.614 -8.956 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -0.908 1.115 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -0.403 0.261 -8.853 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -3.221 0.177 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.121 -1.221 -10.054 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -3.760 -1.343 -9.370 1.00 0.00 H new ATOM 1599 N VAL B 128 -3.998 -2.027 -5.382 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.354 -2.001 -4.874 1.00 0.00 C ATOM 1601 C VAL B 128 -5.349 -1.467 -3.449 1.00 0.00 C ATOM 1602 O VAL B 128 -5.944 -0.437 -3.162 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.003 -3.399 -4.946 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.984 -3.626 -3.810 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.696 -3.570 -6.285 1.00 0.00 C ATOM 0 H VAL B 128 -3.711 -2.918 -5.788 1.00 0.00 H new ATOM 0 HA VAL B 128 -5.954 -1.338 -5.497 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.214 -4.144 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.418 -4.622 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.463 -3.540 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.776 -2.879 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.154 -4.558 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.467 -2.807 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.966 -3.468 -7.088 1.00 0.00 H new ATOM 1615 N SER B 129 -4.639 -2.150 -2.572 1.00 0.00 N ATOM 1616 CA SER B 129 -4.527 -1.736 -1.182 1.00 0.00 C ATOM 1617 C SER B 129 -4.140 -0.259 -1.047 1.00 0.00 C ATOM 1618 O SER B 129 -4.679 0.452 -0.199 1.00 0.00 O ATOM 1619 CB SER B 129 -3.483 -2.606 -0.506 1.00 0.00 C ATOM 1620 OG SER B 129 -3.722 -3.980 -0.790 1.00 0.00 O ATOM 0 H SER B 129 -4.126 -3.002 -2.798 1.00 0.00 H new ATOM 0 HA SER B 129 -5.500 -1.855 -0.706 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.488 -2.325 -0.850 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.506 -2.442 0.571 1.00 0.00 H new ATOM 0 HG SER B 129 -3.137 -4.269 -1.521 1.00 0.00 H new ATOM 1626 N THR B 130 -3.227 0.205 -1.897 1.00 0.00 N ATOM 1627 CA THR B 130 -2.789 1.591 -1.876 1.00 0.00 C ATOM 1628 C THR B 130 -3.896 2.484 -2.388 1.00 0.00 C ATOM 1629 O THR B 130 -4.285 3.453 -1.733 1.00 0.00 O ATOM 1630 CB THR B 130 -1.540 1.763 -2.741 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.419 1.160 -2.123 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.191 3.209 -3.023 1.00 0.00 C ATOM 0 H THR B 130 -2.776 -0.366 -2.612 1.00 0.00 H new ATOM 0 HA THR B 130 -2.547 1.870 -0.851 1.00 0.00 H new ATOM 0 HB THR B 130 -1.779 1.280 -3.688 1.00 0.00 H new ATOM 0 HG1 THR B 130 -0.414 0.200 -2.320 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.295 3.253 -3.642 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.018 3.687 -3.548 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.009 3.729 -2.083 1.00 0.00 H new ATOM 1640 N THR B 131 -4.400 2.154 -3.571 1.00 0.00 N ATOM 1641 CA THR B 131 -5.457 2.936 -4.165 1.00 0.00 C ATOM 1642 C THR B 131 -6.688 2.961 -3.262 1.00 0.00 C ATOM 1643 O THR B 131 -7.361 3.989 -3.155 1.00 0.00 O ATOM 1644 CB THR B 131 -5.823 2.448 -5.567 1.00 0.00 C ATOM 1645 OG1 THR B 131 -6.538 3.458 -6.261 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.675 1.202 -5.580 1.00 0.00 C ATOM 0 H THR B 131 -4.092 1.356 -4.127 1.00 0.00 H new ATOM 0 HA THR B 131 -5.080 3.953 -4.269 1.00 0.00 H new ATOM 0 HB THR B 131 -4.873 2.212 -6.047 1.00 0.00 H new ATOM 0 HG1 THR B 131 -5.919 3.971 -6.821 1.00 0.00 H new ATOM 0 HG21 THR B 131 -6.892 0.920 -6.610 1.00 0.00 H new ATOM 0 HG22 THR B 131 -6.140 0.390 -5.086 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.609 1.395 -5.053 1.00 0.00 H new ATOM 1654 N MET B 132 -6.963 1.834 -2.602 1.00 0.00 N ATOM 1655 CA MET B 132 -8.099 1.725 -1.698 1.00 0.00 C ATOM 1656 C MET B 132 -8.005 2.712 -0.550 1.00 0.00 C ATOM 1657 O MET B 132 -8.886 3.531 -0.365 1.00 0.00 O ATOM 1658 CB MET B 132 -8.154 0.318 -1.130 1.00 0.00 C ATOM 1659 CG MET B 132 -8.335 -0.733 -2.188 1.00 0.00 C ATOM 1660 SD MET B 132 -10.050 -1.054 -2.512 1.00 0.00 S ATOM 1661 CE MET B 132 -10.003 -2.815 -2.644 1.00 0.00 C ATOM 0 H MET B 132 -6.408 0.982 -2.681 1.00 0.00 H new ATOM 0 HA MET B 132 -9.000 1.950 -2.268 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.235 0.118 -0.580 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.974 0.252 -0.415 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.846 -0.411 -3.107 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.846 -1.655 -1.872 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.951 -3.231 -2.303 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.835 -3.098 -3.683 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.193 -3.205 -2.027 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.928 2.627 0.218 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.718 3.515 1.359 1.00 0.00 C ATOM 1673 C GLN B 133 -6.777 4.984 0.942 1.00 0.00 C ATOM 1674 O GLN B 133 -7.354 5.814 1.647 1.00 0.00 O ATOM 1675 CB GLN B 133 -5.383 3.165 2.015 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.766 4.261 2.867 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.266 4.102 3.005 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.508 5.040 2.772 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -2.822 2.909 3.380 1.00 0.00 N ATOM 0 H GLN B 133 -6.180 1.949 0.072 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.520 3.371 2.083 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -5.524 2.281 2.637 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.674 2.894 1.233 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.988 5.232 2.424 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -5.223 4.251 3.856 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -3.482 2.154 3.565 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -1.820 2.747 3.484 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.202 5.297 -0.215 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.213 6.663 -0.729 1.00 0.00 C ATOM 1690 C ASN B 134 -7.629 7.063 -1.142 1.00 0.00 C ATOM 1691 O ASN B 134 -8.132 8.109 -0.716 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.209 6.781 -1.890 1.00 0.00 C ATOM 1693 CG ASN B 134 -5.753 7.487 -3.112 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -5.948 8.698 -3.105 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.972 6.731 -4.177 1.00 0.00 N ATOM 0 H ASN B 134 -5.723 4.625 -0.814 1.00 0.00 H new ATOM 0 HA ASN B 134 -5.903 7.357 0.052 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -4.326 7.315 -1.539 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -4.884 5.781 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.318 7.152 -5.039 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -5.795 5.727 -4.135 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.288 6.211 -1.929 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.659 6.481 -2.340 1.00 0.00 C ATOM 1704 C GLU B 135 -10.594 6.346 -1.142 1.00 0.00 C ATOM 1705 O GLU B 135 -11.621 7.019 -1.069 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.087 5.558 -3.484 1.00 0.00 C ATOM 1707 CG GLU B 135 -9.666 6.067 -4.861 1.00 0.00 C ATOM 1708 CD GLU B 135 -10.230 7.437 -5.191 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -9.781 8.433 -4.583 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -11.120 7.519 -6.064 1.00 0.00 O ATOM 0 H GLU B 135 -7.897 5.340 -2.289 1.00 0.00 H new ATOM 0 HA GLU B 135 -9.716 7.503 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.658 4.569 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.171 5.443 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -8.578 6.108 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -9.992 5.355 -5.619 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.196 5.523 -0.168 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.956 5.355 1.058 1.00 0.00 C ATOM 1719 C ALA B 136 -10.967 6.683 1.791 1.00 0.00 C ATOM 1720 O ALA B 136 -12.025 7.183 2.184 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.343 4.263 1.922 1.00 0.00 C ATOM 0 H ALA B 136 -9.345 4.962 -0.213 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.977 5.051 0.828 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.926 4.152 2.836 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.345 3.321 1.374 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.318 4.533 2.176 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.775 7.278 1.913 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.634 8.588 2.528 1.00 0.00 C ATOM 1729 C ARG B 137 -10.407 9.595 1.712 1.00 0.00 C ATOM 1730 O ARG B 137 -11.251 10.331 2.227 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.183 9.028 2.541 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.628 9.247 3.931 1.00 0.00 C ATOM 1733 CD ARG B 137 -8.198 10.505 4.568 1.00 0.00 C ATOM 1734 NE ARG B 137 -8.521 10.306 5.984 1.00 0.00 N ATOM 1735 CZ ARG B 137 -9.295 11.117 6.698 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -9.831 12.192 6.151 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -9.532 10.845 7.965 1.00 0.00 N ATOM 0 H ARG B 137 -8.898 6.867 1.592 1.00 0.00 H new ATOM 0 HA ARG B 137 -10.006 8.527 3.551 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.580 8.276 2.032 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.087 9.952 1.971 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.859 8.385 4.556 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.542 9.323 3.882 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -7.479 11.318 4.471 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -9.096 10.808 4.030 1.00 0.00 H new ATOM 0 HE ARG B 137 -8.125 9.491 6.453 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -9.653 12.408 5.170 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -10.423 12.807 6.709 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -9.122 10.015 8.394 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -10.125 11.464 8.517 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.089 9.614 0.418 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.733 10.529 -0.508 1.00 0.00 C ATOM 1753 C ARG B 138 -12.258 10.406 -0.403 1.00 0.00 C ATOM 1754 O ARG B 138 -12.973 11.408 -0.464 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.277 10.266 -1.950 1.00 0.00 C ATOM 1756 CG ARG B 138 -10.495 11.446 -2.895 1.00 0.00 C ATOM 1757 CD ARG B 138 -11.977 11.711 -3.141 1.00 0.00 C ATOM 1758 NE ARG B 138 -12.260 12.078 -4.536 1.00 0.00 N ATOM 1759 CZ ARG B 138 -12.209 11.227 -5.555 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -11.832 9.984 -5.361 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -12.525 11.630 -6.769 1.00 0.00 N ATOM 0 H ARG B 138 -9.390 9.005 -0.007 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.441 11.544 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.218 10.009 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.813 9.400 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -10.031 12.338 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -9.999 11.247 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -12.550 10.821 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -12.314 12.512 -2.483 1.00 0.00 H new ATOM 0 HE ARG B 138 -12.511 13.047 -4.734 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -11.577 9.669 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -11.794 9.334 -6.146 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -12.809 12.597 -6.928 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -12.485 10.975 -7.550 1.00 0.00 H new