USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1023 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 39 THR OG1 : rot 130:sc= -2.38 USER MOD Set 1.2: A 40 THR OG1 : rot 180:sc= 0.134 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.7! C(o=-4.5!,f=-4.5!) USER MOD Set 2.2: A 124 TYR OH : rot 180:sc= -2.82! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -83:sc= 0.86 USER MOD Single : A 20 GLN : amide:sc= -2.54 K(o=-2.5,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -2.69 (180deg=-3.17!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 25 THR OG1 : rot -84:sc= -4.6! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -59:sc= 0.436! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.312 K(o=-0.31,f=-2.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 54 GLN : amide:sc= -0.323 K(o=-0.32,f=-3.6!) USER MOD Single : A 56 TYR OH : rot -160:sc= 0.808 USER MOD Single : A 57 SER OG : rot -15:sc= 0.614! USER MOD Single : A 58 HIS : no HE2:sc= 0.0832 X(o=0.083,f=-0.34) USER MOD Single : A 59 HIS : no HE2:sc= -12.5! C(o=-12!,f=-14!) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.296) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.833 K(o=-0.83,f=-0.048) USER MOD Single : A 72 GLN : amide:sc=-0.00458 X(o=-0.0046,f=-0.012) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 76 HIS : no HE2:sc= -6.14! C(o=-6.1!,f=-7.2!) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 0.03 (180deg=-0.0864) USER MOD Single : A 78 GLN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 97 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.0035) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -15! C(o=-15!,f=-23!) USER MOD Single : A 106 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.12) USER MOD Single : A 107 SER OG : rot -163:sc= 0.0484 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.259 X(o=0.26,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00452) USER MOD Single : A 118 THR OG1 : rot 82:sc= 0.664 USER MOD Single : A 120 MET CE :methyl -166:sc= 0 (180deg=-0.361) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= -0.632 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 13.855 4.874 -26.298 1.00 0.00 N ATOM 53 CA ASP A 4 13.074 6.047 -26.780 1.00 0.00 C ATOM 54 C ASP A 4 13.827 7.333 -26.440 1.00 0.00 C ATOM 55 O ASP A 4 14.770 7.331 -25.675 1.00 0.00 O ATOM 56 CB ASP A 4 11.702 6.071 -26.101 1.00 0.00 C ATOM 57 CG ASP A 4 11.263 4.642 -25.773 1.00 0.00 C ATOM 58 OD1 ASP A 4 11.459 3.776 -26.610 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.741 4.437 -24.689 1.00 0.00 O ATOM 0 HA ASP A 4 12.942 5.971 -27.859 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.747 6.666 -25.189 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.970 6.545 -26.755 1.00 0.00 H new ATOM 64 N ILE A 5 13.416 8.432 -27.006 1.00 0.00 N ATOM 65 CA ILE A 5 14.100 9.722 -26.724 1.00 0.00 C ATOM 66 C ILE A 5 13.859 10.119 -25.266 1.00 0.00 C ATOM 67 O ILE A 5 14.673 10.781 -24.650 1.00 0.00 O ATOM 68 CB ILE A 5 13.532 10.798 -27.646 1.00 0.00 C ATOM 69 CG1 ILE A 5 13.849 10.435 -29.098 1.00 0.00 C ATOM 70 CG2 ILE A 5 14.161 12.151 -27.306 1.00 0.00 C ATOM 71 CD1 ILE A 5 12.670 9.665 -29.698 1.00 0.00 C ATOM 0 H ILE A 5 12.632 8.492 -27.655 1.00 0.00 H new ATOM 0 HA ILE A 5 15.171 9.617 -26.896 1.00 0.00 H new ATOM 0 HB ILE A 5 12.452 10.861 -27.512 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.040 11.339 -29.677 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.754 9.830 -29.144 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.754 12.917 -27.966 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.936 12.407 -26.270 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.241 12.094 -27.440 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.894 9.405 -30.733 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.500 8.754 -29.124 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.775 10.286 -29.665 1.00 0.00 H new ATOM 83 N THR A 6 12.747 9.727 -24.711 1.00 0.00 N ATOM 84 CA THR A 6 12.452 10.087 -23.299 1.00 0.00 C ATOM 85 C THR A 6 13.649 9.738 -22.420 1.00 0.00 C ATOM 86 O THR A 6 14.105 10.541 -21.633 1.00 0.00 O ATOM 87 CB THR A 6 11.227 9.304 -22.818 1.00 0.00 C ATOM 88 OG1 THR A 6 10.285 9.206 -23.877 1.00 0.00 O ATOM 89 CG2 THR A 6 10.590 10.029 -21.632 1.00 0.00 C ATOM 0 H THR A 6 12.029 9.172 -25.176 1.00 0.00 H new ATOM 0 HA THR A 6 12.253 11.157 -23.234 1.00 0.00 H new ATOM 0 HB THR A 6 11.532 8.304 -22.508 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.501 8.704 -23.572 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.718 9.471 -21.290 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.314 10.104 -20.820 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.283 11.029 -21.939 1.00 0.00 H new ATOM 97 N LEU A 7 14.148 8.539 -22.528 1.00 0.00 N ATOM 98 CA LEU A 7 15.295 8.138 -21.675 1.00 0.00 C ATOM 99 C LEU A 7 16.469 9.128 -21.791 1.00 0.00 C ATOM 100 O LEU A 7 17.004 9.552 -20.787 1.00 0.00 O ATOM 101 CB LEU A 7 15.756 6.712 -22.008 1.00 0.00 C ATOM 102 CG LEU A 7 15.846 5.959 -20.706 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.369 4.542 -20.952 1.00 0.00 C ATOM 104 CD2 LEU A 7 16.789 6.709 -19.765 1.00 0.00 C ATOM 0 H LEU A 7 13.810 7.822 -23.170 1.00 0.00 H new ATOM 0 HA LEU A 7 14.949 8.157 -20.641 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.052 6.228 -22.685 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.723 6.728 -22.511 1.00 0.00 H new ATOM 0 HG LEU A 7 14.856 5.888 -20.255 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.430 4.007 -20.004 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.691 4.015 -21.623 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.359 4.593 -21.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.862 6.172 -18.819 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.777 6.778 -20.220 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.401 7.712 -19.585 1.00 0.00 H new ATOM 116 N GLN A 8 16.888 9.518 -22.970 1.00 0.00 N ATOM 117 CA GLN A 8 18.022 10.479 -23.041 1.00 0.00 C ATOM 118 C GLN A 8 17.688 11.691 -22.183 1.00 0.00 C ATOM 119 O GLN A 8 18.545 12.319 -21.592 1.00 0.00 O ATOM 120 CB GLN A 8 18.248 10.914 -24.491 1.00 0.00 C ATOM 121 CG GLN A 8 19.122 9.879 -25.203 1.00 0.00 C ATOM 122 CD GLN A 8 19.349 10.312 -26.652 1.00 0.00 C ATOM 123 OE1 GLN A 8 18.666 9.857 -27.549 1.00 0.00 O ATOM 124 NE2 GLN A 8 20.288 11.176 -26.922 1.00 0.00 N ATOM 0 H GLN A 8 16.502 9.219 -23.865 1.00 0.00 H new ATOM 0 HA GLN A 8 18.932 10.004 -22.674 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.292 11.014 -25.005 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.729 11.892 -24.518 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.078 9.779 -24.688 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.641 8.901 -25.176 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.861 11.558 -26.170 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.449 11.470 -27.885 1.00 0.00 H new ATOM 133 N GLU A 9 16.439 12.011 -22.119 1.00 0.00 N ATOM 134 CA GLU A 9 15.987 13.177 -21.309 1.00 0.00 C ATOM 135 C GLU A 9 16.111 12.870 -19.812 1.00 0.00 C ATOM 136 O GLU A 9 16.582 13.683 -19.043 1.00 0.00 O ATOM 137 CB GLU A 9 14.527 13.489 -21.643 1.00 0.00 C ATOM 138 CG GLU A 9 14.471 14.611 -22.683 1.00 0.00 C ATOM 139 CD GLU A 9 13.045 14.738 -23.220 1.00 0.00 C ATOM 140 OE1 GLU A 9 12.235 15.360 -22.553 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.787 14.212 -24.291 1.00 0.00 O ATOM 0 H GLU A 9 15.692 11.510 -22.600 1.00 0.00 H new ATOM 0 HA GLU A 9 16.615 14.036 -21.545 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.032 12.597 -22.027 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.992 13.787 -20.741 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.787 15.553 -22.235 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.161 14.399 -23.500 1.00 0.00 H new ATOM 148 N ILE A 10 15.672 11.713 -19.389 1.00 0.00 N ATOM 149 CA ILE A 10 15.740 11.373 -17.941 1.00 0.00 C ATOM 150 C ILE A 10 17.183 11.448 -17.448 1.00 0.00 C ATOM 151 O ILE A 10 17.467 12.075 -16.452 1.00 0.00 O ATOM 152 CB ILE A 10 15.194 9.959 -17.729 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.969 9.735 -18.627 1.00 0.00 C ATOM 154 CG2 ILE A 10 14.791 9.779 -16.265 1.00 0.00 C ATOM 155 CD1 ILE A 10 13.080 10.984 -18.631 1.00 0.00 C ATOM 0 H ILE A 10 15.270 10.990 -19.986 1.00 0.00 H new ATOM 0 HA ILE A 10 15.140 12.087 -17.376 1.00 0.00 H new ATOM 0 HB ILE A 10 15.967 9.235 -17.986 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.291 9.505 -19.643 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.400 8.876 -18.271 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.402 8.772 -16.116 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.662 9.930 -15.627 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.021 10.507 -16.007 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.215 10.813 -19.271 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.744 11.195 -17.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.648 11.834 -19.009 1.00 0.00 H new ATOM 167 N ILE A 11 18.098 10.819 -18.127 1.00 0.00 N ATOM 168 CA ILE A 11 19.515 10.871 -17.670 1.00 0.00 C ATOM 169 C ILE A 11 19.930 12.332 -17.490 1.00 0.00 C ATOM 170 O ILE A 11 20.681 12.669 -16.595 1.00 0.00 O ATOM 171 CB ILE A 11 20.418 10.200 -18.705 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.916 8.778 -18.973 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.851 10.141 -18.172 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.966 8.010 -19.778 1.00 0.00 C ATOM 0 H ILE A 11 17.930 10.274 -18.973 1.00 0.00 H new ATOM 0 HA ILE A 11 19.613 10.344 -16.721 1.00 0.00 H new ATOM 0 HB ILE A 11 20.398 10.775 -19.631 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.719 8.267 -18.031 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.974 8.810 -19.521 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.494 9.662 -18.910 1.00 0.00 H new ATOM 0 HG22 ILE A 11 22.209 11.152 -17.979 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.871 9.566 -17.246 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.609 6.998 -19.969 1.00 0.00 H new ATOM 0 HD12 ILE A 11 21.141 8.518 -20.726 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.897 7.966 -19.213 1.00 0.00 H new ATOM 186 N LYS A 12 19.445 13.203 -18.330 1.00 0.00 N ATOM 187 CA LYS A 12 19.807 14.641 -18.200 1.00 0.00 C ATOM 188 C LYS A 12 19.344 15.160 -16.837 1.00 0.00 C ATOM 189 O LYS A 12 20.037 15.912 -16.182 1.00 0.00 O ATOM 190 CB LYS A 12 19.124 15.440 -19.311 1.00 0.00 C ATOM 191 CG LYS A 12 20.083 15.599 -20.492 1.00 0.00 C ATOM 192 CD LYS A 12 19.926 16.997 -21.094 1.00 0.00 C ATOM 193 CE LYS A 12 21.166 17.835 -20.774 1.00 0.00 C ATOM 194 NZ LYS A 12 21.010 19.196 -21.361 1.00 0.00 N ATOM 0 H LYS A 12 18.814 12.981 -19.100 1.00 0.00 H new ATOM 0 HA LYS A 12 20.888 14.755 -18.284 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.216 14.931 -19.633 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.825 16.419 -18.938 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.111 15.447 -20.162 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.875 14.841 -21.247 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.791 16.926 -22.173 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.035 17.479 -20.692 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.302 17.906 -19.695 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.057 17.354 -21.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.852 19.766 -21.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.900 19.119 -22.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.168 19.654 -20.957 1.00 0.00 H new ATOM 208 N THR A 13 18.174 14.767 -16.405 1.00 0.00 N ATOM 209 CA THR A 13 17.669 15.242 -15.087 1.00 0.00 C ATOM 210 C THR A 13 18.484 14.604 -13.959 1.00 0.00 C ATOM 211 O THR A 13 18.966 15.279 -13.071 1.00 0.00 O ATOM 212 CB THR A 13 16.193 14.857 -14.939 1.00 0.00 C ATOM 213 OG1 THR A 13 15.415 15.626 -15.845 1.00 0.00 O ATOM 214 CG2 THR A 13 15.731 15.131 -13.507 1.00 0.00 C ATOM 0 H THR A 13 17.548 14.138 -16.909 1.00 0.00 H new ATOM 0 HA THR A 13 17.770 16.326 -15.030 1.00 0.00 H new ATOM 0 HB THR A 13 16.069 13.797 -15.159 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.470 15.381 -15.754 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.681 14.856 -13.405 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.330 14.542 -12.812 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.852 16.191 -13.282 1.00 0.00 H new ATOM 222 N LEU A 14 18.646 13.311 -13.989 1.00 0.00 N ATOM 223 CA LEU A 14 19.433 12.634 -12.924 1.00 0.00 C ATOM 224 C LEU A 14 20.804 13.305 -12.814 1.00 0.00 C ATOM 225 O LEU A 14 21.380 13.399 -11.749 1.00 0.00 O ATOM 226 CB LEU A 14 19.617 11.154 -13.292 1.00 0.00 C ATOM 227 CG LEU A 14 18.328 10.367 -13.002 1.00 0.00 C ATOM 228 CD1 LEU A 14 17.103 11.191 -13.410 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.342 9.058 -13.799 1.00 0.00 C ATOM 0 H LEU A 14 18.266 12.694 -14.707 1.00 0.00 H new ATOM 0 HA LEU A 14 18.909 12.709 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.876 11.064 -14.347 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.445 10.731 -12.723 1.00 0.00 H new ATOM 0 HG LEU A 14 18.276 10.153 -11.935 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.196 10.624 -13.200 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.087 12.123 -12.845 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.153 11.414 -14.476 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.429 8.498 -13.595 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.401 9.281 -14.864 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.206 8.462 -13.505 1.00 0.00 H new ATOM 241 N ASN A 15 21.327 13.771 -13.915 1.00 0.00 N ATOM 242 CA ASN A 15 22.660 14.439 -13.897 1.00 0.00 C ATOM 243 C ASN A 15 22.553 15.811 -13.199 1.00 0.00 C ATOM 244 O ASN A 15 23.346 16.127 -12.333 1.00 0.00 O ATOM 245 CB ASN A 15 23.139 14.642 -15.335 1.00 0.00 C ATOM 246 CG ASN A 15 24.206 13.596 -15.668 1.00 0.00 C ATOM 247 OD1 ASN A 15 25.261 13.928 -16.170 1.00 0.00 O ATOM 248 ND2 ASN A 15 23.972 12.339 -15.411 1.00 0.00 N ATOM 0 H ASN A 15 20.885 13.717 -14.833 1.00 0.00 H new ATOM 0 HA ASN A 15 23.368 13.814 -13.352 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.300 14.554 -16.025 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.547 15.645 -15.456 1.00 0.00 H new ATOM 0 HD21 ASN A 15 24.675 11.634 -15.632 1.00 0.00 H new ATOM 0 HD22 ASN A 15 23.086 12.061 -14.989 1.00 0.00 H new ATOM 255 N SER A 16 21.598 16.648 -13.575 1.00 0.00 N ATOM 256 CA SER A 16 21.496 17.988 -12.925 1.00 0.00 C ATOM 257 C SER A 16 21.450 17.841 -11.403 1.00 0.00 C ATOM 258 O SER A 16 22.180 18.497 -10.687 1.00 0.00 O ATOM 259 CB SER A 16 20.222 18.687 -13.406 1.00 0.00 C ATOM 260 OG SER A 16 20.469 19.317 -14.655 1.00 0.00 O ATOM 0 H SER A 16 20.900 16.456 -14.294 1.00 0.00 H new ATOM 0 HA SER A 16 22.371 18.580 -13.195 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.413 17.963 -13.506 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.900 19.425 -12.672 1.00 0.00 H new ATOM 0 HG SER A 16 19.653 19.763 -14.964 1.00 0.00 H new ATOM 266 N LEU A 17 20.593 16.997 -10.896 1.00 0.00 N ATOM 267 CA LEU A 17 20.504 16.831 -9.417 1.00 0.00 C ATOM 268 C LEU A 17 21.899 16.579 -8.837 1.00 0.00 C ATOM 269 O LEU A 17 22.194 16.964 -7.724 1.00 0.00 O ATOM 270 CB LEU A 17 19.583 15.652 -9.086 1.00 0.00 C ATOM 271 CG LEU A 17 18.212 15.884 -9.729 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.197 14.873 -9.180 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.739 17.304 -9.413 1.00 0.00 C ATOM 0 H LEU A 17 19.953 16.417 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 17 20.095 17.741 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.017 14.722 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.478 15.550 -8.006 1.00 0.00 H new ATOM 0 HG LEU A 17 18.295 15.755 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.225 15.045 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.532 13.861 -9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.111 14.993 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.763 17.473 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.661 17.430 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.455 18.023 -9.811 1.00 0.00 H new ATOM 285 N THR A 18 22.760 15.939 -9.578 1.00 0.00 N ATOM 286 CA THR A 18 24.131 15.674 -9.055 1.00 0.00 C ATOM 287 C THR A 18 24.904 16.982 -8.977 1.00 0.00 C ATOM 288 O THR A 18 25.544 17.291 -7.992 1.00 0.00 O ATOM 289 CB THR A 18 24.858 14.699 -9.983 1.00 0.00 C ATOM 290 OG1 THR A 18 25.492 15.424 -11.029 1.00 0.00 O ATOM 291 CG2 THR A 18 23.851 13.714 -10.580 1.00 0.00 C ATOM 0 H THR A 18 22.576 15.589 -10.518 1.00 0.00 H new ATOM 0 HA THR A 18 24.061 15.235 -8.060 1.00 0.00 H new ATOM 0 HB THR A 18 25.609 14.149 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 18 24.842 15.611 -11.738 1.00 0.00 H new ATOM 0 HG21 THR A 18 24.369 13.020 -11.241 1.00 0.00 H new ATOM 0 HG22 THR A 18 23.366 13.158 -9.777 1.00 0.00 H new ATOM 0 HG23 THR A 18 23.099 14.262 -11.147 1.00 0.00 H new ATOM 299 N GLU A 19 24.834 17.750 -10.009 1.00 0.00 N ATOM 300 CA GLU A 19 25.546 19.057 -10.025 1.00 0.00 C ATOM 301 C GLU A 19 25.044 19.900 -8.863 1.00 0.00 C ATOM 302 O GLU A 19 25.749 20.720 -8.310 1.00 0.00 O ATOM 303 CB GLU A 19 25.277 19.780 -11.347 1.00 0.00 C ATOM 304 CG GLU A 19 26.533 20.540 -11.776 1.00 0.00 C ATOM 305 CD GLU A 19 26.888 20.167 -13.217 1.00 0.00 C ATOM 306 OE1 GLU A 19 26.748 19.004 -13.558 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.294 21.049 -13.954 1.00 0.00 O ATOM 0 H GLU A 19 24.310 17.534 -10.857 1.00 0.00 H new ATOM 0 HA GLU A 19 26.620 18.895 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.993 19.061 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.442 20.471 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.365 21.614 -11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.362 20.298 -11.112 1.00 0.00 H new ATOM 314 N GLN A 20 23.825 19.686 -8.495 1.00 0.00 N ATOM 315 CA GLN A 20 23.228 20.444 -7.361 1.00 0.00 C ATOM 316 C GLN A 20 22.996 19.489 -6.189 1.00 0.00 C ATOM 317 O GLN A 20 22.032 18.751 -6.160 1.00 0.00 O ATOM 318 CB GLN A 20 21.893 21.050 -7.799 1.00 0.00 C ATOM 319 CG GLN A 20 22.149 22.183 -8.796 1.00 0.00 C ATOM 320 CD GLN A 20 20.861 22.985 -8.998 1.00 0.00 C ATOM 321 OE1 GLN A 20 20.175 22.815 -9.987 1.00 0.00 O ATOM 322 NE2 GLN A 20 20.501 23.857 -8.097 1.00 0.00 N ATOM 0 H GLN A 20 23.201 19.009 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 20 23.903 21.243 -7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.266 20.284 -8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.352 21.429 -6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.942 22.834 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.489 21.775 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.076 24.000 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.644 24.396 -8.223 1.00 0.00 H new ATOM 331 N LYS A 21 23.876 19.492 -5.226 1.00 0.00 N ATOM 332 CA LYS A 21 23.706 18.581 -4.062 1.00 0.00 C ATOM 333 C LYS A 21 24.780 18.896 -3.019 1.00 0.00 C ATOM 334 O LYS A 21 25.740 18.169 -2.861 1.00 0.00 O ATOM 335 CB LYS A 21 23.852 17.128 -4.523 1.00 0.00 C ATOM 336 CG LYS A 21 22.565 16.361 -4.211 1.00 0.00 C ATOM 337 CD LYS A 21 22.353 15.270 -5.262 1.00 0.00 C ATOM 338 CE LYS A 21 20.929 15.358 -5.812 1.00 0.00 C ATOM 339 NZ LYS A 21 19.970 14.847 -4.791 1.00 0.00 N ATOM 0 H LYS A 21 24.705 20.086 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 21 22.717 18.723 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 21 24.058 17.094 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 21 24.698 16.659 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.626 15.917 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.715 17.044 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 23.074 15.385 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.523 14.288 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.689 16.390 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.845 14.775 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.044 14.683 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.327 13.954 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.868 15.547 -4.029 1.00 0.00 H new ATOM 353 N THR A 22 24.628 19.980 -2.306 1.00 0.00 N ATOM 354 CA THR A 22 25.641 20.344 -1.280 1.00 0.00 C ATOM 355 C THR A 22 25.423 19.505 -0.021 1.00 0.00 C ATOM 356 O THR A 22 26.094 18.516 0.200 1.00 0.00 O ATOM 357 CB THR A 22 25.505 21.830 -0.933 1.00 0.00 C ATOM 358 OG1 THR A 22 24.188 22.266 -1.238 1.00 0.00 O ATOM 359 CG2 THR A 22 26.516 22.639 -1.745 1.00 0.00 C ATOM 0 H THR A 22 23.845 20.628 -2.392 1.00 0.00 H new ATOM 0 HA THR A 22 26.639 20.151 -1.674 1.00 0.00 H new ATOM 0 HB THR A 22 25.698 21.976 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.098 23.216 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.419 23.696 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.525 22.302 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.326 22.496 -2.809 1.00 0.00 H new ATOM 367 N LEU A 23 24.497 19.894 0.813 1.00 0.00 N ATOM 368 CA LEU A 23 24.252 19.117 2.063 1.00 0.00 C ATOM 369 C LEU A 23 22.903 18.395 1.986 1.00 0.00 C ATOM 370 O LEU A 23 22.318 18.059 2.995 1.00 0.00 O ATOM 371 CB LEU A 23 24.250 20.071 3.259 1.00 0.00 C ATOM 372 CG LEU A 23 25.626 20.051 3.928 1.00 0.00 C ATOM 373 CD1 LEU A 23 25.826 21.344 4.723 1.00 0.00 C ATOM 374 CD2 LEU A 23 25.715 18.852 4.874 1.00 0.00 C ATOM 0 H LEU A 23 23.902 20.712 0.684 1.00 0.00 H new ATOM 0 HA LEU A 23 25.042 18.376 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 23 24.008 21.082 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 23 23.482 19.775 3.973 1.00 0.00 H new ATOM 0 HG LEU A 23 26.400 19.970 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.806 21.330 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.762 22.199 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 25.052 21.425 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.695 18.837 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.941 18.933 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.573 17.931 4.309 1.00 0.00 H new ATOM 386 N CYS A 24 22.401 18.148 0.806 1.00 0.00 N ATOM 387 CA CYS A 24 21.091 17.442 0.698 1.00 0.00 C ATOM 388 C CYS A 24 21.321 15.937 0.533 1.00 0.00 C ATOM 389 O CYS A 24 20.940 15.157 1.377 1.00 0.00 O ATOM 390 CB CYS A 24 20.301 17.973 -0.496 1.00 0.00 C ATOM 391 SG CYS A 24 18.529 17.808 -0.166 1.00 0.00 S ATOM 0 H CYS A 24 22.836 18.402 -0.081 1.00 0.00 H new ATOM 0 HA CYS A 24 20.521 17.623 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 24 20.553 19.018 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 24 20.567 17.420 -1.397 1.00 0.00 H new ATOM 396 N THR A 25 21.938 15.517 -0.544 1.00 0.00 N ATOM 397 CA THR A 25 22.186 14.058 -0.741 1.00 0.00 C ATOM 398 C THR A 25 22.623 13.440 0.592 1.00 0.00 C ATOM 399 O THR A 25 23.017 14.139 1.503 1.00 0.00 O ATOM 400 CB THR A 25 23.292 13.862 -1.781 1.00 0.00 C ATOM 401 OG1 THR A 25 23.706 12.504 -1.778 1.00 0.00 O ATOM 402 CG2 THR A 25 24.481 14.763 -1.442 1.00 0.00 C ATOM 0 H THR A 25 22.279 16.120 -1.292 1.00 0.00 H new ATOM 0 HA THR A 25 21.274 13.574 -1.090 1.00 0.00 H new ATOM 0 HB THR A 25 22.913 14.124 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.372 12.367 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.267 14.622 -2.184 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.161 15.805 -1.446 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.863 14.505 -0.454 1.00 0.00 H new ATOM 410 N GLU A 26 22.536 12.139 0.708 1.00 0.00 N ATOM 411 CA GLU A 26 22.925 11.448 1.978 1.00 0.00 C ATOM 412 C GLU A 26 21.700 11.366 2.892 1.00 0.00 C ATOM 413 O GLU A 26 21.610 10.508 3.748 1.00 0.00 O ATOM 414 CB GLU A 26 24.049 12.209 2.685 1.00 0.00 C ATOM 415 CG GLU A 26 24.962 11.215 3.408 1.00 0.00 C ATOM 416 CD GLU A 26 25.365 11.788 4.767 1.00 0.00 C ATOM 417 OE1 GLU A 26 24.930 12.884 5.078 1.00 0.00 O ATOM 418 OE2 GLU A 26 26.101 11.120 5.476 1.00 0.00 O ATOM 0 H GLU A 26 22.208 11.518 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 26 23.286 10.446 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.623 12.786 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 26 23.630 12.919 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 26 24.448 10.263 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 26 25.850 11.017 2.807 1.00 0.00 H new ATOM 425 N LEU A 27 20.748 12.240 2.702 1.00 0.00 N ATOM 426 CA LEU A 27 19.516 12.200 3.538 1.00 0.00 C ATOM 427 C LEU A 27 19.028 10.747 3.589 1.00 0.00 C ATOM 428 O LEU A 27 19.536 9.900 2.888 1.00 0.00 O ATOM 429 CB LEU A 27 18.453 13.120 2.899 1.00 0.00 C ATOM 430 CG LEU A 27 18.783 14.602 3.182 1.00 0.00 C ATOM 431 CD1 LEU A 27 18.019 15.505 2.207 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.380 14.948 4.616 1.00 0.00 C ATOM 0 H LEU A 27 20.772 12.981 2.002 1.00 0.00 H new ATOM 0 HA LEU A 27 19.709 12.550 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 18.414 12.949 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 27 17.467 12.878 3.296 1.00 0.00 H new ATOM 0 HG LEU A 27 19.854 14.760 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 27 18.258 16.548 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 27 18.308 15.263 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.947 15.347 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.612 15.994 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.310 14.783 4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.930 14.314 5.312 1.00 0.00 H new ATOM 444 N THR A 28 18.080 10.433 4.433 1.00 0.00 N ATOM 445 CA THR A 28 17.622 9.013 4.527 1.00 0.00 C ATOM 446 C THR A 28 16.340 8.788 3.722 1.00 0.00 C ATOM 447 O THR A 28 15.485 9.646 3.631 1.00 0.00 O ATOM 448 CB THR A 28 17.369 8.663 5.992 1.00 0.00 C ATOM 449 OG1 THR A 28 16.891 9.812 6.678 1.00 0.00 O ATOM 450 CG2 THR A 28 18.673 8.186 6.633 1.00 0.00 C ATOM 0 H THR A 28 17.607 11.089 5.055 1.00 0.00 H new ATOM 0 HA THR A 28 18.401 8.372 4.113 1.00 0.00 H new ATOM 0 HB THR A 28 16.624 7.870 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.727 9.587 7.618 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.494 7.936 7.679 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.036 7.304 6.106 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.419 8.978 6.572 1.00 0.00 H new ATOM 458 N VAL A 29 16.202 7.618 3.150 1.00 0.00 N ATOM 459 CA VAL A 29 14.977 7.296 2.361 1.00 0.00 C ATOM 460 C VAL A 29 14.779 5.780 2.334 1.00 0.00 C ATOM 461 O VAL A 29 15.544 5.030 2.907 1.00 0.00 O ATOM 462 CB VAL A 29 15.111 7.788 0.912 1.00 0.00 C ATOM 463 CG1 VAL A 29 13.814 8.454 0.451 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.261 8.787 0.768 1.00 0.00 C ATOM 0 H VAL A 29 16.891 6.868 3.197 1.00 0.00 H new ATOM 0 HA VAL A 29 14.128 7.792 2.832 1.00 0.00 H new ATOM 0 HB VAL A 29 15.319 6.917 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.927 8.797 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.996 7.735 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.593 9.305 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.329 9.116 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.078 9.648 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.196 8.309 1.060 1.00 0.00 H new ATOM 474 N THR A 30 13.756 5.328 1.666 1.00 0.00 N ATOM 475 CA THR A 30 13.497 3.861 1.590 1.00 0.00 C ATOM 476 C THR A 30 14.376 3.245 0.498 1.00 0.00 C ATOM 477 O THR A 30 14.107 3.380 -0.680 1.00 0.00 O ATOM 478 CB THR A 30 12.023 3.622 1.253 1.00 0.00 C ATOM 479 OG1 THR A 30 11.210 4.172 2.280 1.00 0.00 O ATOM 480 CG2 THR A 30 11.762 2.119 1.141 1.00 0.00 C ATOM 0 H THR A 30 13.085 5.912 1.167 1.00 0.00 H new ATOM 0 HA THR A 30 13.731 3.399 2.549 1.00 0.00 H new ATOM 0 HB THR A 30 11.783 4.101 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.266 4.022 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.712 1.949 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.387 1.699 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.000 1.637 2.089 1.00 0.00 H new ATOM 488 N ASP A 31 15.426 2.571 0.879 1.00 0.00 N ATOM 489 CA ASP A 31 16.325 1.946 -0.135 1.00 0.00 C ATOM 490 C ASP A 31 15.564 0.864 -0.906 1.00 0.00 C ATOM 491 O ASP A 31 15.440 -0.259 -0.459 1.00 0.00 O ATOM 492 CB ASP A 31 17.523 1.315 0.575 1.00 0.00 C ATOM 493 CG ASP A 31 18.737 1.338 -0.357 1.00 0.00 C ATOM 494 OD1 ASP A 31 18.942 2.349 -1.007 1.00 0.00 O ATOM 495 OD2 ASP A 31 19.444 0.343 -0.402 1.00 0.00 O ATOM 0 H ASP A 31 15.702 2.425 1.850 1.00 0.00 H new ATOM 0 HA ASP A 31 16.669 2.709 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.745 1.860 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.291 0.290 0.862 1.00 0.00 H new ATOM 500 N ILE A 32 15.053 1.192 -2.061 1.00 0.00 N ATOM 501 CA ILE A 32 14.296 0.180 -2.860 1.00 0.00 C ATOM 502 C ILE A 32 15.262 -0.672 -3.691 1.00 0.00 C ATOM 503 O ILE A 32 14.958 -1.052 -4.805 1.00 0.00 O ATOM 504 CB ILE A 32 13.336 0.908 -3.816 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.153 1.627 -4.894 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.522 1.932 -3.029 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.757 1.099 -6.273 1.00 0.00 C ATOM 0 H ILE A 32 15.125 2.116 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 32 13.741 -0.464 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 32 12.663 0.189 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.979 2.702 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.218 1.468 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.840 2.450 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.949 1.423 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.195 2.655 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.339 1.611 -7.039 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.954 0.028 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.696 1.281 -6.441 1.00 0.00 H new ATOM 519 N PHE A 33 16.422 -0.970 -3.176 1.00 0.00 N ATOM 520 CA PHE A 33 17.388 -1.790 -3.962 1.00 0.00 C ATOM 521 C PHE A 33 17.957 -2.928 -3.094 1.00 0.00 C ATOM 522 O PHE A 33 19.099 -3.311 -3.250 1.00 0.00 O ATOM 523 CB PHE A 33 18.533 -0.889 -4.433 1.00 0.00 C ATOM 524 CG PHE A 33 18.031 0.025 -5.525 1.00 0.00 C ATOM 525 CD1 PHE A 33 18.018 -0.415 -6.855 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.573 1.309 -5.208 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.549 0.432 -7.868 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.104 2.156 -6.220 1.00 0.00 C ATOM 529 CZ PHE A 33 17.091 1.718 -7.550 1.00 0.00 C ATOM 0 H PHE A 33 16.742 -0.684 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 33 16.875 -2.227 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.916 -0.302 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.360 -1.495 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.369 -1.407 -7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.581 1.647 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.540 0.094 -8.894 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.752 3.147 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.728 2.371 -8.330 1.00 0.00 H new ATOM 539 N ALA A 34 17.185 -3.479 -2.183 1.00 0.00 N ATOM 540 CA ALA A 34 17.720 -4.582 -1.336 1.00 0.00 C ATOM 541 C ALA A 34 16.588 -5.550 -0.983 1.00 0.00 C ATOM 542 O ALA A 34 16.251 -5.731 0.171 1.00 0.00 O ATOM 543 CB ALA A 34 18.312 -3.999 -0.052 1.00 0.00 C ATOM 0 H ALA A 34 16.219 -3.212 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 34 18.497 -5.116 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.703 -4.806 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.119 -3.311 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.536 -3.464 0.496 1.00 0.00 H new ATOM 549 N ALA A 35 15.997 -6.172 -1.966 1.00 0.00 N ATOM 550 CA ALA A 35 14.886 -7.125 -1.683 1.00 0.00 C ATOM 551 C ALA A 35 14.441 -7.788 -2.987 1.00 0.00 C ATOM 552 O ALA A 35 13.443 -7.419 -3.572 1.00 0.00 O ATOM 553 CB ALA A 35 13.707 -6.369 -1.067 1.00 0.00 C ATOM 0 H ALA A 35 16.235 -6.062 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 35 15.231 -7.888 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.895 -7.067 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.024 -5.896 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.361 -5.605 -1.763 1.00 0.00 H new ATOM 559 N SER A 36 15.173 -8.763 -3.448 1.00 0.00 N ATOM 560 CA SER A 36 14.792 -9.445 -4.715 1.00 0.00 C ATOM 561 C SER A 36 14.617 -8.403 -5.820 1.00 0.00 C ATOM 562 O SER A 36 13.640 -8.408 -6.545 1.00 0.00 O ATOM 563 CB SER A 36 13.476 -10.200 -4.511 1.00 0.00 C ATOM 564 OG SER A 36 12.386 -9.341 -4.810 1.00 0.00 O ATOM 0 H SER A 36 16.019 -9.117 -3.002 1.00 0.00 H new ATOM 0 HA SER A 36 15.574 -10.149 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.446 -11.080 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.403 -10.553 -3.482 1.00 0.00 H new ATOM 0 HG SER A 36 12.415 -8.559 -4.221 1.00 0.00 H new ATOM 570 N LYS A 37 15.555 -7.506 -5.956 1.00 0.00 N ATOM 571 CA LYS A 37 15.444 -6.463 -7.014 1.00 0.00 C ATOM 572 C LYS A 37 15.889 -7.043 -8.359 1.00 0.00 C ATOM 573 O LYS A 37 16.007 -6.339 -9.342 1.00 0.00 O ATOM 574 CB LYS A 37 16.336 -5.273 -6.651 1.00 0.00 C ATOM 575 CG LYS A 37 16.174 -4.172 -7.701 1.00 0.00 C ATOM 576 CD LYS A 37 17.531 -3.871 -8.338 1.00 0.00 C ATOM 577 CE LYS A 37 17.461 -4.137 -9.843 1.00 0.00 C ATOM 578 NZ LYS A 37 17.962 -2.946 -10.583 1.00 0.00 N ATOM 0 H LYS A 37 16.394 -7.451 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 37 14.408 -6.133 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.068 -4.892 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.378 -5.589 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.463 -4.486 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.769 -3.271 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.808 -2.833 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.303 -4.492 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.058 -5.013 -10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.434 -4.355 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.914 -3.127 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.374 -2.120 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.948 -2.757 -10.311 1.00 0.00 H new ATOM 592 N ASN A 38 16.136 -8.324 -8.410 1.00 0.00 N ATOM 593 CA ASN A 38 16.572 -8.949 -9.692 1.00 0.00 C ATOM 594 C ASN A 38 15.403 -8.963 -10.680 1.00 0.00 C ATOM 595 O ASN A 38 15.554 -9.330 -11.829 1.00 0.00 O ATOM 596 CB ASN A 38 17.031 -10.384 -9.426 1.00 0.00 C ATOM 597 CG ASN A 38 18.076 -10.787 -10.469 1.00 0.00 C ATOM 598 OD1 ASN A 38 18.675 -9.942 -11.103 1.00 0.00 O ATOM 599 ND2 ASN A 38 18.320 -12.053 -10.673 1.00 0.00 N ATOM 0 H ASN A 38 16.055 -8.964 -7.620 1.00 0.00 H new ATOM 0 HA ASN A 38 17.396 -8.374 -10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.453 -10.462 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.179 -11.063 -9.468 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.014 -12.333 -11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.816 -12.762 -10.140 1.00 0.00 H new ATOM 606 N THR A 39 14.237 -8.567 -10.245 1.00 0.00 N ATOM 607 CA THR A 39 13.062 -8.561 -11.160 1.00 0.00 C ATOM 608 C THR A 39 13.365 -7.684 -12.378 1.00 0.00 C ATOM 609 O THR A 39 14.400 -7.053 -12.456 1.00 0.00 O ATOM 610 CB THR A 39 11.843 -8.006 -10.422 1.00 0.00 C ATOM 611 OG1 THR A 39 10.870 -7.583 -11.367 1.00 0.00 O ATOM 612 CG2 THR A 39 12.263 -6.818 -9.555 1.00 0.00 C ATOM 0 H THR A 39 14.049 -8.247 -9.295 1.00 0.00 H new ATOM 0 HA THR A 39 12.855 -9.579 -11.489 1.00 0.00 H new ATOM 0 HB THR A 39 11.420 -8.784 -9.787 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.999 -7.967 -11.134 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.392 -6.425 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.008 -7.143 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.688 -6.039 -10.187 1.00 0.00 H new ATOM 620 N THR A 40 12.470 -7.640 -13.325 1.00 0.00 N ATOM 621 CA THR A 40 12.708 -6.804 -14.537 1.00 0.00 C ATOM 622 C THR A 40 13.001 -5.365 -14.115 1.00 0.00 C ATOM 623 O THR A 40 12.528 -4.896 -13.098 1.00 0.00 O ATOM 624 CB THR A 40 11.463 -6.829 -15.429 1.00 0.00 C ATOM 625 OG1 THR A 40 10.664 -7.954 -15.092 1.00 0.00 O ATOM 626 CG2 THR A 40 11.886 -6.921 -16.896 1.00 0.00 C ATOM 0 H THR A 40 11.584 -8.146 -13.313 1.00 0.00 H new ATOM 0 HA THR A 40 13.559 -7.202 -15.089 1.00 0.00 H new ATOM 0 HB THR A 40 10.888 -5.916 -15.277 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.866 -7.971 -15.661 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.999 -6.939 -17.530 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.499 -6.057 -17.153 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.462 -7.833 -17.052 1.00 0.00 H new ATOM 634 N GLU A 41 13.776 -4.655 -14.890 1.00 0.00 N ATOM 635 CA GLU A 41 14.097 -3.245 -14.532 1.00 0.00 C ATOM 636 C GLU A 41 12.795 -2.459 -14.365 1.00 0.00 C ATOM 637 O GLU A 41 12.633 -1.701 -13.432 1.00 0.00 O ATOM 638 CB GLU A 41 14.937 -2.609 -15.642 1.00 0.00 C ATOM 639 CG GLU A 41 16.133 -3.510 -15.959 1.00 0.00 C ATOM 640 CD GLU A 41 17.384 -2.958 -15.273 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.524 -3.170 -14.080 1.00 0.00 O ATOM 642 OE2 GLU A 41 18.180 -2.331 -15.952 1.00 0.00 O ATOM 0 H GLU A 41 14.200 -4.991 -15.755 1.00 0.00 H new ATOM 0 HA GLU A 41 14.661 -3.226 -13.599 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.329 -2.466 -16.536 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.283 -1.623 -15.331 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.937 -4.526 -15.618 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.288 -3.560 -17.037 1.00 0.00 H new ATOM 649 N LYS A 42 11.864 -2.639 -15.261 1.00 0.00 N ATOM 650 CA LYS A 42 10.575 -1.903 -15.148 1.00 0.00 C ATOM 651 C LYS A 42 9.981 -2.129 -13.756 1.00 0.00 C ATOM 652 O LYS A 42 9.332 -1.266 -13.199 1.00 0.00 O ATOM 653 CB LYS A 42 9.599 -2.418 -16.207 1.00 0.00 C ATOM 654 CG LYS A 42 9.566 -3.947 -16.170 1.00 0.00 C ATOM 655 CD LYS A 42 8.312 -4.450 -16.886 1.00 0.00 C ATOM 656 CE LYS A 42 8.713 -5.187 -18.164 1.00 0.00 C ATOM 657 NZ LYS A 42 8.241 -6.598 -18.093 1.00 0.00 N ATOM 0 H LYS A 42 11.940 -3.263 -16.065 1.00 0.00 H new ATOM 0 HA LYS A 42 10.750 -0.838 -15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.602 -2.018 -16.023 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.904 -2.074 -17.195 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.458 -4.352 -16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.572 -4.296 -15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.749 -5.116 -16.231 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.658 -3.612 -17.127 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.281 -4.691 -19.033 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.796 -5.160 -18.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.514 -7.099 -18.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.673 -7.068 -17.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.206 -6.613 -17.995 1.00 0.00 H new ATOM 671 N GLU A 43 10.198 -3.284 -13.187 1.00 0.00 N ATOM 672 CA GLU A 43 9.648 -3.564 -11.832 1.00 0.00 C ATOM 673 C GLU A 43 10.389 -2.725 -10.791 1.00 0.00 C ATOM 674 O GLU A 43 9.784 -2.130 -9.921 1.00 0.00 O ATOM 675 CB GLU A 43 9.819 -5.050 -11.507 1.00 0.00 C ATOM 676 CG GLU A 43 9.105 -5.370 -10.192 1.00 0.00 C ATOM 677 CD GLU A 43 7.631 -5.669 -10.468 1.00 0.00 C ATOM 678 OE1 GLU A 43 6.997 -4.861 -11.127 1.00 0.00 O ATOM 679 OE2 GLU A 43 7.160 -6.700 -10.017 1.00 0.00 O ATOM 0 H GLU A 43 10.733 -4.046 -13.604 1.00 0.00 H new ATOM 0 HA GLU A 43 8.589 -3.308 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.410 -5.659 -12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.878 -5.296 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.576 -6.227 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.193 -4.529 -9.505 1.00 0.00 H new ATOM 686 N THR A 44 11.691 -2.658 -10.870 1.00 0.00 N ATOM 687 CA THR A 44 12.436 -1.837 -9.871 1.00 0.00 C ATOM 688 C THR A 44 11.964 -0.396 -9.992 1.00 0.00 C ATOM 689 O THR A 44 11.971 0.360 -9.045 1.00 0.00 O ATOM 690 CB THR A 44 13.960 -1.910 -10.103 1.00 0.00 C ATOM 691 OG1 THR A 44 14.627 -1.549 -8.900 1.00 0.00 O ATOM 692 CG2 THR A 44 14.382 -0.944 -11.218 1.00 0.00 C ATOM 0 H THR A 44 12.264 -3.128 -11.571 1.00 0.00 H new ATOM 0 HA THR A 44 12.238 -2.226 -8.872 1.00 0.00 H new ATOM 0 HB THR A 44 14.226 -2.925 -10.397 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.596 -1.594 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.460 -1.009 -11.367 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.871 -1.210 -12.143 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.116 0.075 -10.937 1.00 0.00 H new ATOM 700 N PHE A 45 11.559 -0.024 -11.164 1.00 0.00 N ATOM 701 CA PHE A 45 11.074 1.363 -11.395 1.00 0.00 C ATOM 702 C PHE A 45 9.725 1.565 -10.710 1.00 0.00 C ATOM 703 O PHE A 45 9.379 2.658 -10.312 1.00 0.00 O ATOM 704 CB PHE A 45 10.933 1.603 -12.894 1.00 0.00 C ATOM 705 CG PHE A 45 12.329 1.717 -13.525 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.487 1.551 -12.733 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.475 1.980 -14.899 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.755 1.650 -13.310 1.00 0.00 C ATOM 709 CE2 PHE A 45 13.751 2.077 -15.467 1.00 0.00 C ATOM 710 CZ PHE A 45 14.888 1.912 -14.671 1.00 0.00 C ATOM 0 H PHE A 45 11.541 -0.627 -11.986 1.00 0.00 H new ATOM 0 HA PHE A 45 11.790 2.071 -10.977 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.379 0.785 -13.354 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.364 2.515 -13.076 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.391 1.347 -11.677 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.599 2.108 -15.518 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.636 1.523 -12.698 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.857 2.280 -16.522 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.871 1.988 -15.112 1.00 0.00 H new ATOM 720 N CYS A 46 8.951 0.522 -10.579 1.00 0.00 N ATOM 721 CA CYS A 46 7.619 0.671 -9.926 1.00 0.00 C ATOM 722 C CYS A 46 7.807 1.014 -8.445 1.00 0.00 C ATOM 723 O CYS A 46 7.246 1.970 -7.946 1.00 0.00 O ATOM 724 CB CYS A 46 6.838 -0.633 -10.050 1.00 0.00 C ATOM 725 SG CYS A 46 5.224 -0.302 -10.800 1.00 0.00 S ATOM 0 H CYS A 46 9.181 -0.421 -10.893 1.00 0.00 H new ATOM 0 HA CYS A 46 7.067 1.472 -10.417 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.394 -1.346 -10.659 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.708 -1.086 -9.067 1.00 0.00 H new ATOM 730 N ARG A 47 8.597 0.251 -7.744 1.00 0.00 N ATOM 731 CA ARG A 47 8.829 0.541 -6.299 1.00 0.00 C ATOM 732 C ARG A 47 9.692 1.798 -6.149 1.00 0.00 C ATOM 733 O ARG A 47 9.541 2.565 -5.219 1.00 0.00 O ATOM 734 CB ARG A 47 9.545 -0.646 -5.649 1.00 0.00 C ATOM 735 CG ARG A 47 9.538 -0.476 -4.128 1.00 0.00 C ATOM 736 CD ARG A 47 10.689 -1.280 -3.520 1.00 0.00 C ATOM 737 NE ARG A 47 10.207 -2.641 -3.152 1.00 0.00 N ATOM 738 CZ ARG A 47 10.931 -3.689 -3.432 1.00 0.00 C ATOM 739 NH1 ARG A 47 12.227 -3.648 -3.277 1.00 0.00 N ATOM 740 NH2 ARG A 47 10.360 -4.779 -3.867 1.00 0.00 N ATOM 0 H ARG A 47 9.093 -0.562 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 47 7.869 0.705 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.050 -1.578 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.570 -0.710 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.639 0.578 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.587 -0.815 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.511 -1.354 -4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.077 -0.770 -2.638 1.00 0.00 H new ATOM 0 HE ARG A 47 9.310 -2.753 -2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.673 -2.796 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.793 -4.468 -3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.348 -4.811 -3.988 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.926 -5.599 -4.086 1.00 0.00 H new ATOM 754 N ALA A 48 10.611 2.000 -7.054 1.00 0.00 N ATOM 755 CA ALA A 48 11.513 3.199 -6.961 1.00 0.00 C ATOM 756 C ALA A 48 10.735 4.470 -7.257 1.00 0.00 C ATOM 757 O ALA A 48 11.050 5.538 -6.771 1.00 0.00 O ATOM 758 CB ALA A 48 12.687 3.086 -7.945 1.00 0.00 C ATOM 0 H ALA A 48 10.781 1.392 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 48 11.907 3.238 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.323 3.967 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.269 2.194 -7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.303 3.017 -8.963 1.00 0.00 H new ATOM 764 N ALA A 49 9.733 4.359 -8.053 1.00 0.00 N ATOM 765 CA ALA A 49 8.920 5.554 -8.404 1.00 0.00 C ATOM 766 C ALA A 49 8.126 5.993 -7.181 1.00 0.00 C ATOM 767 O ALA A 49 7.921 7.169 -6.951 1.00 0.00 O ATOM 768 CB ALA A 49 7.963 5.209 -9.546 1.00 0.00 C ATOM 0 H ALA A 49 9.430 3.487 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 49 9.576 6.363 -8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.369 6.087 -9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.536 4.893 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.301 4.401 -9.235 1.00 0.00 H new ATOM 774 N THR A 50 7.689 5.062 -6.386 1.00 0.00 N ATOM 775 CA THR A 50 6.921 5.432 -5.172 1.00 0.00 C ATOM 776 C THR A 50 7.867 6.103 -4.177 1.00 0.00 C ATOM 777 O THR A 50 7.477 6.978 -3.434 1.00 0.00 O ATOM 778 CB THR A 50 6.323 4.173 -4.539 1.00 0.00 C ATOM 779 OG1 THR A 50 5.956 3.260 -5.563 1.00 0.00 O ATOM 780 CG2 THR A 50 5.087 4.550 -3.720 1.00 0.00 C ATOM 0 H THR A 50 7.831 4.061 -6.525 1.00 0.00 H new ATOM 0 HA THR A 50 6.115 6.116 -5.438 1.00 0.00 H new ATOM 0 HB THR A 50 7.061 3.708 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.574 2.452 -5.160 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.662 3.653 -3.270 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.371 5.251 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.347 5.015 -4.371 1.00 0.00 H new ATOM 788 N VAL A 51 9.108 5.695 -4.153 1.00 0.00 N ATOM 789 CA VAL A 51 10.073 6.312 -3.200 1.00 0.00 C ATOM 790 C VAL A 51 10.399 7.738 -3.641 1.00 0.00 C ATOM 791 O VAL A 51 10.281 8.664 -2.870 1.00 0.00 O ATOM 792 CB VAL A 51 11.354 5.462 -3.164 1.00 0.00 C ATOM 793 CG1 VAL A 51 12.528 6.291 -2.637 1.00 0.00 C ATOM 794 CG2 VAL A 51 11.143 4.253 -2.254 1.00 0.00 C ATOM 0 H VAL A 51 9.493 4.964 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 51 9.634 6.349 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 51 11.580 5.127 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.428 5.676 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.689 7.149 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.304 6.639 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.052 3.652 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.907 4.593 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.319 3.650 -2.636 1.00 0.00 H new ATOM 804 N LEU A 52 10.788 7.936 -4.869 1.00 0.00 N ATOM 805 CA LEU A 52 11.086 9.325 -5.309 1.00 0.00 C ATOM 806 C LEU A 52 9.799 10.138 -5.180 1.00 0.00 C ATOM 807 O LEU A 52 9.821 11.327 -4.933 1.00 0.00 O ATOM 808 CB LEU A 52 11.571 9.330 -6.760 1.00 0.00 C ATOM 809 CG LEU A 52 10.604 8.533 -7.634 1.00 0.00 C ATOM 810 CD1 LEU A 52 9.589 9.483 -8.270 1.00 0.00 C ATOM 811 CD2 LEU A 52 11.391 7.815 -8.734 1.00 0.00 C ATOM 0 H LEU A 52 10.911 7.210 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 52 11.874 9.758 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.644 10.355 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.570 8.898 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 52 10.079 7.800 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.899 8.914 -8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.031 9.997 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.112 10.217 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.704 7.245 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.914 8.550 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.115 7.138 -8.281 1.00 0.00 H new ATOM 823 N ARG A 53 8.674 9.492 -5.328 1.00 0.00 N ATOM 824 CA ARG A 53 7.378 10.205 -5.196 1.00 0.00 C ATOM 825 C ARG A 53 7.255 10.749 -3.773 1.00 0.00 C ATOM 826 O ARG A 53 6.936 11.902 -3.563 1.00 0.00 O ATOM 827 CB ARG A 53 6.232 9.229 -5.467 1.00 0.00 C ATOM 828 CG ARG A 53 4.910 9.997 -5.521 1.00 0.00 C ATOM 829 CD ARG A 53 3.871 9.286 -4.653 1.00 0.00 C ATOM 830 NE ARG A 53 3.776 9.968 -3.332 1.00 0.00 N ATOM 831 CZ ARG A 53 2.627 10.423 -2.914 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.811 11.002 -3.752 1.00 0.00 N ATOM 833 NH2 ARG A 53 2.293 10.299 -1.658 1.00 0.00 N ATOM 0 H ARG A 53 8.600 8.496 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 53 7.332 11.026 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.400 8.707 -6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.193 8.471 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.056 11.018 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.557 10.062 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.900 9.294 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.150 8.241 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 53 4.609 10.079 -2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.072 11.099 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.913 11.358 -3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.931 9.846 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.395 10.655 -1.332 1.00 0.00 H new ATOM 847 N GLN A 54 7.491 9.920 -2.794 1.00 0.00 N ATOM 848 CA GLN A 54 7.375 10.380 -1.379 1.00 0.00 C ATOM 849 C GLN A 54 8.501 11.341 -1.001 1.00 0.00 C ATOM 850 O GLN A 54 8.370 12.143 -0.098 1.00 0.00 O ATOM 851 CB GLN A 54 7.402 9.169 -0.445 1.00 0.00 C ATOM 852 CG GLN A 54 6.159 8.311 -0.685 1.00 0.00 C ATOM 853 CD GLN A 54 5.598 7.839 0.657 1.00 0.00 C ATOM 854 OE1 GLN A 54 6.102 8.205 1.701 1.00 0.00 O ATOM 855 NE2 GLN A 54 4.569 7.037 0.674 1.00 0.00 N ATOM 0 H GLN A 54 7.759 8.943 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 54 6.431 10.914 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.302 8.581 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.435 9.498 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.406 8.886 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.411 7.453 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.147 6.730 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.187 6.717 1.564 1.00 0.00 H new ATOM 864 N PHE A 55 9.619 11.215 -1.630 1.00 0.00 N ATOM 865 CA PHE A 55 10.789 12.061 -1.260 1.00 0.00 C ATOM 866 C PHE A 55 10.608 13.535 -1.641 1.00 0.00 C ATOM 867 O PHE A 55 10.763 14.401 -0.809 1.00 0.00 O ATOM 868 CB PHE A 55 12.020 11.519 -1.988 1.00 0.00 C ATOM 869 CG PHE A 55 13.268 12.089 -1.364 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.767 11.542 -0.175 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.929 13.162 -1.973 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.925 12.069 0.404 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.089 13.689 -1.392 1.00 0.00 C ATOM 874 CZ PHE A 55 15.587 13.141 -0.204 1.00 0.00 C ATOM 0 H PHE A 55 9.784 10.559 -2.393 1.00 0.00 H new ATOM 0 HA PHE A 55 10.898 12.017 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.038 10.431 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.976 11.784 -3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 55 13.257 10.713 0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.545 13.583 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.309 11.648 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.599 14.518 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.483 13.546 0.243 1.00 0.00 H new ATOM 884 N TYR A 56 10.309 13.852 -2.873 1.00 0.00 N ATOM 885 CA TYR A 56 10.165 15.273 -3.240 1.00 0.00 C ATOM 886 C TYR A 56 8.860 15.876 -2.669 1.00 0.00 C ATOM 887 O TYR A 56 8.851 17.014 -2.246 1.00 0.00 O ATOM 888 CB TYR A 56 10.231 15.404 -4.770 1.00 0.00 C ATOM 889 CG TYR A 56 9.085 14.705 -5.453 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.804 15.260 -5.399 1.00 0.00 C ATOM 891 CD2 TYR A 56 9.305 13.521 -6.167 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.739 14.632 -6.047 1.00 0.00 C ATOM 893 CE2 TYR A 56 8.242 12.894 -6.814 1.00 0.00 C ATOM 894 CZ TYR A 56 6.956 13.446 -6.756 1.00 0.00 C ATOM 895 OH TYR A 56 5.906 12.823 -7.398 1.00 0.00 O ATOM 0 H TYR A 56 10.161 13.186 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 56 10.984 15.842 -2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.225 16.459 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.173 14.988 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.637 16.178 -4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.296 13.095 -6.216 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.749 15.061 -6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.410 11.979 -7.362 1.00 0.00 H new ATOM 0 HH TYR A 56 6.136 11.885 -7.567 1.00 0.00 H new ATOM 905 N SER A 57 7.749 15.153 -2.651 1.00 0.00 N ATOM 906 CA SER A 57 6.501 15.758 -2.106 1.00 0.00 C ATOM 907 C SER A 57 6.619 15.930 -0.588 1.00 0.00 C ATOM 908 O SER A 57 6.279 16.960 -0.042 1.00 0.00 O ATOM 909 CB SER A 57 5.313 14.849 -2.422 1.00 0.00 C ATOM 910 OG SER A 57 5.375 14.448 -3.783 1.00 0.00 O ATOM 0 H SER A 57 7.665 14.193 -2.985 1.00 0.00 H new ATOM 0 HA SER A 57 6.350 16.735 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.328 13.974 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.378 15.374 -2.228 1.00 0.00 H new ATOM 0 HG SER A 57 6.011 15.018 -4.263 1.00 0.00 H new ATOM 916 N HIS A 58 7.078 14.919 0.096 1.00 0.00 N ATOM 917 CA HIS A 58 7.198 15.008 1.580 1.00 0.00 C ATOM 918 C HIS A 58 8.320 15.974 1.979 1.00 0.00 C ATOM 919 O HIS A 58 8.272 16.585 3.027 1.00 0.00 O ATOM 920 CB HIS A 58 7.504 13.619 2.143 1.00 0.00 C ATOM 921 CG HIS A 58 6.864 13.475 3.496 1.00 0.00 C ATOM 922 ND1 HIS A 58 7.609 13.425 4.664 1.00 0.00 N ATOM 923 CD2 HIS A 58 5.552 13.370 3.882 1.00 0.00 C ATOM 924 CE1 HIS A 58 6.746 13.295 5.690 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.479 13.256 5.268 1.00 0.00 N ATOM 0 H HIS A 58 7.376 14.032 -0.309 1.00 0.00 H new ATOM 0 HA HIS A 58 6.257 15.381 1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.129 12.850 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.582 13.476 2.221 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.625 13.477 4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.704 13.375 3.213 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.042 13.230 6.727 1.00 0.00 H new ATOM 933 N HIS A 59 9.336 16.109 1.172 1.00 0.00 N ATOM 934 CA HIS A 59 10.455 17.020 1.533 1.00 0.00 C ATOM 935 C HIS A 59 9.958 18.464 1.606 1.00 0.00 C ATOM 936 O HIS A 59 10.482 19.266 2.353 1.00 0.00 O ATOM 937 CB HIS A 59 11.543 16.922 0.465 1.00 0.00 C ATOM 938 CG HIS A 59 12.772 16.275 1.044 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.953 16.974 1.237 1.00 0.00 N ATOM 940 CD2 HIS A 59 13.023 14.993 1.472 1.00 0.00 C ATOM 941 CE1 HIS A 59 14.851 16.120 1.758 1.00 0.00 C ATOM 942 NE2 HIS A 59 14.337 14.899 1.922 1.00 0.00 N ATOM 0 H HIS A 59 9.438 15.627 0.279 1.00 0.00 H new ATOM 0 HA HIS A 59 10.852 16.729 2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.181 16.341 -0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.787 17.916 0.090 1.00 0.00 H new ATOM 0 HD1 HIS A 59 14.112 17.958 1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.310 14.182 1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.865 16.389 2.013 1.00 0.00 H new ATOM 950 N GLU A 60 8.957 18.805 0.835 1.00 0.00 N ATOM 951 CA GLU A 60 8.438 20.204 0.868 1.00 0.00 C ATOM 952 C GLU A 60 8.378 20.676 2.320 1.00 0.00 C ATOM 953 O GLU A 60 9.059 21.603 2.713 1.00 0.00 O ATOM 954 CB GLU A 60 7.038 20.247 0.255 1.00 0.00 C ATOM 955 CG GLU A 60 7.127 19.962 -1.246 1.00 0.00 C ATOM 956 CD GLU A 60 6.208 20.921 -2.004 1.00 0.00 C ATOM 957 OE1 GLU A 60 5.522 21.691 -1.353 1.00 0.00 O ATOM 958 OE2 GLU A 60 6.206 20.870 -3.223 1.00 0.00 O ATOM 0 H GLU A 60 8.479 18.178 0.187 1.00 0.00 H new ATOM 0 HA GLU A 60 9.098 20.856 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.396 19.511 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.586 21.224 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.155 20.080 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.840 18.930 -1.448 1.00 0.00 H new ATOM 965 N LYS A 61 7.581 20.032 3.123 1.00 0.00 N ATOM 966 CA LYS A 61 7.489 20.424 4.556 1.00 0.00 C ATOM 967 C LYS A 61 7.928 19.236 5.414 1.00 0.00 C ATOM 968 O LYS A 61 7.136 18.380 5.757 1.00 0.00 O ATOM 969 CB LYS A 61 6.043 20.794 4.897 1.00 0.00 C ATOM 970 CG LYS A 61 5.473 21.689 3.793 1.00 0.00 C ATOM 971 CD LYS A 61 4.721 22.863 4.425 1.00 0.00 C ATOM 972 CE LYS A 61 4.873 24.101 3.540 1.00 0.00 C ATOM 973 NZ LYS A 61 4.414 23.784 2.158 1.00 0.00 N ATOM 0 H LYS A 61 6.988 19.249 2.849 1.00 0.00 H new ATOM 0 HA LYS A 61 8.131 21.284 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.439 19.892 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.005 21.311 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.278 22.059 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.802 21.115 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.666 22.613 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.112 23.065 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.290 24.926 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.914 24.424 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.226 24.668 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.152 23.245 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.543 23.218 2.203 1.00 0.00 H new ATOM 987 N ASP A 62 9.188 19.165 5.759 1.00 0.00 N ATOM 988 CA ASP A 62 9.663 18.021 6.582 1.00 0.00 C ATOM 989 C ASP A 62 11.054 18.323 7.115 1.00 0.00 C ATOM 990 O ASP A 62 11.830 17.435 7.410 1.00 0.00 O ATOM 991 CB ASP A 62 9.700 16.763 5.727 1.00 0.00 C ATOM 992 CG ASP A 62 9.512 15.533 6.618 1.00 0.00 C ATOM 993 OD1 ASP A 62 8.918 15.676 7.674 1.00 0.00 O ATOM 994 OD2 ASP A 62 9.968 14.470 6.229 1.00 0.00 O ATOM 0 H ASP A 62 9.903 19.848 5.506 1.00 0.00 H new ATOM 0 HA ASP A 62 8.983 17.866 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.915 16.801 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.650 16.699 5.197 1.00 0.00 H new ATOM 999 N THR A 63 11.368 19.577 7.237 1.00 0.00 N ATOM 1000 CA THR A 63 12.712 19.971 7.749 1.00 0.00 C ATOM 1001 C THR A 63 13.764 19.072 7.107 1.00 0.00 C ATOM 1002 O THR A 63 14.806 18.805 7.670 1.00 0.00 O ATOM 1003 CB THR A 63 12.752 19.805 9.271 1.00 0.00 C ATOM 1004 OG1 THR A 63 11.433 19.593 9.755 1.00 0.00 O ATOM 1005 CG2 THR A 63 13.335 21.067 9.908 1.00 0.00 C ATOM 0 H THR A 63 10.750 20.354 7.004 1.00 0.00 H new ATOM 0 HA THR A 63 12.913 21.013 7.500 1.00 0.00 H new ATOM 0 HB THR A 63 13.377 18.950 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.455 19.485 10.729 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.363 20.948 10.991 1.00 0.00 H new ATOM 0 HG22 THR A 63 14.346 21.229 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.712 21.924 9.653 1.00 0.00 H new ATOM 1013 N ARG A 64 13.489 18.610 5.921 1.00 0.00 N ATOM 1014 CA ARG A 64 14.453 17.733 5.214 1.00 0.00 C ATOM 1015 C ARG A 64 15.042 18.514 4.045 1.00 0.00 C ATOM 1016 O ARG A 64 14.458 18.598 2.983 1.00 0.00 O ATOM 1017 CB ARG A 64 13.730 16.489 4.695 1.00 0.00 C ATOM 1018 CG ARG A 64 14.601 15.255 4.937 1.00 0.00 C ATOM 1019 CD ARG A 64 13.710 14.021 5.092 1.00 0.00 C ATOM 1020 NE ARG A 64 14.055 13.316 6.358 1.00 0.00 N ATOM 1021 CZ ARG A 64 13.981 13.947 7.498 1.00 0.00 C ATOM 1022 NH1 ARG A 64 12.816 14.265 7.993 1.00 0.00 N ATOM 1023 NH2 ARG A 64 15.072 14.260 8.143 1.00 0.00 N ATOM 0 H ARG A 64 12.629 18.806 5.409 1.00 0.00 H new ATOM 0 HA ARG A 64 15.247 17.420 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.771 16.375 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.519 16.595 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.291 15.116 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.206 15.394 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.661 14.316 5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.846 13.352 4.242 1.00 0.00 H new ATOM 0 HE ARG A 64 14.349 12.340 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.964 14.020 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.758 14.758 8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.982 14.011 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.014 14.753 9.034 1.00 0.00 H new ATOM 1037 N CYS A 65 16.190 19.090 4.238 1.00 0.00 N ATOM 1038 CA CYS A 65 16.825 19.879 3.146 1.00 0.00 C ATOM 1039 C CYS A 65 16.154 21.256 3.035 1.00 0.00 C ATOM 1040 O CYS A 65 16.366 21.976 2.078 1.00 0.00 O ATOM 1041 CB CYS A 65 16.670 19.129 1.821 1.00 0.00 C ATOM 1042 SG CYS A 65 18.033 19.559 0.712 1.00 0.00 S ATOM 0 H CYS A 65 16.721 19.050 5.108 1.00 0.00 H new ATOM 0 HA CYS A 65 17.883 20.014 3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 65 16.660 18.054 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.717 19.384 1.357 1.00 0.00 H new ATOM 1047 N LEU A 66 15.348 21.634 4.000 1.00 0.00 N ATOM 1048 CA LEU A 66 14.676 22.963 3.937 1.00 0.00 C ATOM 1049 C LEU A 66 15.667 24.016 3.438 1.00 0.00 C ATOM 1050 O LEU A 66 15.466 24.632 2.410 1.00 0.00 O ATOM 1051 CB LEU A 66 14.183 23.348 5.335 1.00 0.00 C ATOM 1052 CG LEU A 66 12.654 23.288 5.376 1.00 0.00 C ATOM 1053 CD1 LEU A 66 12.077 24.473 4.599 1.00 0.00 C ATOM 1054 CD2 LEU A 66 12.175 21.980 4.744 1.00 0.00 C ATOM 0 H LEU A 66 15.129 21.077 4.826 1.00 0.00 H new ATOM 0 HA LEU A 66 13.830 22.911 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.603 22.671 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.524 24.352 5.588 1.00 0.00 H new ATOM 0 HG LEU A 66 12.317 23.333 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.988 24.431 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.416 25.405 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.415 24.428 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.086 21.939 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.512 21.932 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.585 21.136 5.299 1.00 0.00 H new ATOM 1066 N GLY A 67 16.741 24.226 4.151 1.00 0.00 N ATOM 1067 CA GLY A 67 17.741 25.235 3.703 1.00 0.00 C ATOM 1068 C GLY A 67 17.729 26.441 4.655 1.00 0.00 C ATOM 1069 O GLY A 67 17.157 27.467 4.344 1.00 0.00 O ATOM 0 H GLY A 67 16.968 23.744 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.735 24.789 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.513 25.560 2.688 1.00 0.00 H new ATOM 1073 N ALA A 68 18.353 26.340 5.814 1.00 0.00 N ATOM 1074 CA ALA A 68 18.359 27.503 6.753 1.00 0.00 C ATOM 1075 C ALA A 68 18.612 28.787 5.961 1.00 0.00 C ATOM 1076 O ALA A 68 18.174 29.857 6.335 1.00 0.00 O ATOM 1077 CB ALA A 68 19.470 27.314 7.789 1.00 0.00 C ATOM 0 H ALA A 68 18.850 25.511 6.141 1.00 0.00 H new ATOM 0 HA ALA A 68 17.397 27.570 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.476 28.161 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 68 19.293 26.395 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.433 27.251 7.282 1.00 0.00 H new ATOM 1083 N THR A 69 19.302 28.679 4.859 1.00 0.00 N ATOM 1084 CA THR A 69 19.573 29.880 4.022 1.00 0.00 C ATOM 1085 C THR A 69 18.379 30.101 3.087 1.00 0.00 C ATOM 1086 O THR A 69 18.115 29.280 2.238 1.00 0.00 O ATOM 1087 CB THR A 69 20.827 29.626 3.178 1.00 0.00 C ATOM 1088 OG1 THR A 69 21.836 29.054 3.996 1.00 0.00 O ATOM 1089 CG2 THR A 69 21.327 30.949 2.595 1.00 0.00 C ATOM 0 H THR A 69 19.691 27.807 4.501 1.00 0.00 H new ATOM 0 HA THR A 69 19.724 30.755 4.654 1.00 0.00 H new ATOM 0 HB THR A 69 20.587 28.941 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.639 28.889 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 69 22.219 30.768 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.550 31.387 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 69 21.569 31.636 3.406 1.00 0.00 H new ATOM 1097 N ALA A 70 17.644 31.184 3.212 1.00 0.00 N ATOM 1098 CA ALA A 70 16.495 31.377 2.292 1.00 0.00 C ATOM 1099 C ALA A 70 16.980 31.121 0.865 1.00 0.00 C ATOM 1100 O ALA A 70 16.230 30.690 0.012 1.00 0.00 O ATOM 1101 CB ALA A 70 15.973 32.810 2.412 1.00 0.00 C ATOM 0 H ALA A 70 17.792 31.923 3.899 1.00 0.00 H new ATOM 0 HA ALA A 70 15.688 30.689 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.130 32.948 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.650 32.995 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 70 16.767 33.510 2.150 1.00 0.00 H new ATOM 1107 N GLN A 71 18.235 31.367 0.606 1.00 0.00 N ATOM 1108 CA GLN A 71 18.772 31.121 -0.763 1.00 0.00 C ATOM 1109 C GLN A 71 18.846 29.613 -1.011 1.00 0.00 C ATOM 1110 O GLN A 71 18.375 29.113 -2.014 1.00 0.00 O ATOM 1111 CB GLN A 71 20.170 31.730 -0.885 1.00 0.00 C ATOM 1112 CG GLN A 71 20.067 33.256 -0.844 1.00 0.00 C ATOM 1113 CD GLN A 71 19.774 33.786 -2.249 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.661 34.260 -2.930 1.00 0.00 O ATOM 1115 NE2 GLN A 71 18.557 33.725 -2.714 1.00 0.00 N ATOM 0 H GLN A 71 18.910 31.727 1.281 1.00 0.00 H new ATOM 0 HA GLN A 71 18.115 31.582 -1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.805 31.376 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.637 31.411 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.277 33.559 -0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.997 33.684 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.812 33.327 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.350 34.075 -3.649 1.00 0.00 H new ATOM 1124 N GLN A 72 19.434 28.887 -0.101 1.00 0.00 N ATOM 1125 CA GLN A 72 19.539 27.411 -0.275 1.00 0.00 C ATOM 1126 C GLN A 72 18.136 26.822 -0.438 1.00 0.00 C ATOM 1127 O GLN A 72 17.945 25.813 -1.088 1.00 0.00 O ATOM 1128 CB GLN A 72 20.213 26.802 0.958 1.00 0.00 C ATOM 1129 CG GLN A 72 20.612 25.355 0.658 1.00 0.00 C ATOM 1130 CD GLN A 72 21.334 24.762 1.870 1.00 0.00 C ATOM 1131 OE1 GLN A 72 20.893 23.782 2.435 1.00 0.00 O ATOM 1132 NE2 GLN A 72 22.434 25.320 2.295 1.00 0.00 N ATOM 0 H GLN A 72 19.847 29.253 0.757 1.00 0.00 H new ATOM 0 HA GLN A 72 20.133 27.185 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 72 21.093 27.385 1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 72 19.534 26.834 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.727 24.764 0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.260 25.319 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 72 22.805 26.143 1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.923 24.933 3.102 1.00 0.00 H new ATOM 1141 N PHE A 73 17.155 27.446 0.152 1.00 0.00 N ATOM 1142 CA PHE A 73 15.763 26.933 0.041 1.00 0.00 C ATOM 1143 C PHE A 73 15.354 26.870 -1.430 1.00 0.00 C ATOM 1144 O PHE A 73 14.646 25.978 -1.844 1.00 0.00 O ATOM 1145 CB PHE A 73 14.818 27.872 0.793 1.00 0.00 C ATOM 1146 CG PHE A 73 13.394 27.399 0.619 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.893 26.377 1.435 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.578 27.981 -0.357 1.00 0.00 C ATOM 1149 CE1 PHE A 73 11.573 25.938 1.274 1.00 0.00 C ATOM 1150 CE2 PHE A 73 11.258 27.540 -0.518 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.756 26.520 0.297 1.00 0.00 C ATOM 0 H PHE A 73 17.259 28.294 0.709 1.00 0.00 H new ATOM 0 HA PHE A 73 15.708 25.934 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 73 15.078 27.896 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.923 28.889 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.524 25.928 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.965 28.769 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.185 25.151 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.628 27.988 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.738 26.181 0.173 1.00 0.00 H new ATOM 1161 N HIS A 74 15.788 27.810 -2.224 1.00 0.00 N ATOM 1162 CA HIS A 74 15.410 27.786 -3.664 1.00 0.00 C ATOM 1163 C HIS A 74 15.884 26.486 -4.288 1.00 0.00 C ATOM 1164 O HIS A 74 15.213 25.874 -5.095 1.00 0.00 O ATOM 1165 CB HIS A 74 16.046 28.977 -4.383 1.00 0.00 C ATOM 1166 CG HIS A 74 15.040 29.604 -5.307 1.00 0.00 C ATOM 1167 ND1 HIS A 74 14.395 28.881 -6.300 1.00 0.00 N ATOM 1168 CD2 HIS A 74 14.555 30.886 -5.403 1.00 0.00 C ATOM 1169 CE1 HIS A 74 13.568 29.725 -6.944 1.00 0.00 C ATOM 1170 NE2 HIS A 74 13.626 30.960 -6.437 1.00 0.00 N ATOM 0 H HIS A 74 16.384 28.588 -1.940 1.00 0.00 H new ATOM 0 HA HIS A 74 14.326 27.854 -3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.393 29.711 -3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.919 28.650 -4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.850 31.711 -4.772 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.934 29.439 -7.770 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.102 31.780 -6.742 1.00 0.00 H new ATOM 1178 N ARG A 75 17.028 26.066 -3.894 1.00 0.00 N ATOM 1179 CA ARG A 75 17.589 24.790 -4.419 1.00 0.00 C ATOM 1180 C ARG A 75 16.777 23.625 -3.848 1.00 0.00 C ATOM 1181 O ARG A 75 16.631 22.589 -4.465 1.00 0.00 O ATOM 1182 CB ARG A 75 19.052 24.656 -3.984 1.00 0.00 C ATOM 1183 CG ARG A 75 19.933 24.422 -5.214 1.00 0.00 C ATOM 1184 CD ARG A 75 21.354 24.077 -4.765 1.00 0.00 C ATOM 1185 NE ARG A 75 22.335 24.823 -5.602 1.00 0.00 N ATOM 1186 CZ ARG A 75 22.690 26.035 -5.268 1.00 0.00 C ATOM 1187 NH1 ARG A 75 21.865 26.797 -4.604 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.870 26.484 -5.598 1.00 0.00 N ATOM 0 H ARG A 75 17.620 26.550 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 75 17.538 24.781 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.371 25.558 -3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.160 23.827 -3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.524 23.612 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.945 25.313 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.487 24.334 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.525 23.004 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 75 22.729 24.387 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.943 26.446 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 75 22.142 27.743 -4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 75 24.515 25.889 -6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.147 27.430 -5.337 1.00 0.00 H new ATOM 1202 N HIS A 76 16.244 23.799 -2.670 1.00 0.00 N ATOM 1203 CA HIS A 76 15.433 22.725 -2.033 1.00 0.00 C ATOM 1204 C HIS A 76 14.169 22.487 -2.867 1.00 0.00 C ATOM 1205 O HIS A 76 13.849 21.372 -3.221 1.00 0.00 O ATOM 1206 CB HIS A 76 15.051 23.202 -0.626 1.00 0.00 C ATOM 1207 CG HIS A 76 13.846 22.476 -0.107 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.456 21.225 -0.556 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.943 22.836 0.843 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.347 20.882 0.133 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.992 21.833 1.001 1.00 0.00 N ATOM 0 H HIS A 76 16.338 24.650 -2.116 1.00 0.00 H new ATOM 0 HA HIS A 76 15.995 21.793 -1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.890 23.047 0.052 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.851 24.273 -0.646 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.920 20.667 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.961 23.765 1.394 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.813 19.953 -0.001 1.00 0.00 H new ATOM 1219 N LYS A 77 13.448 23.531 -3.174 1.00 0.00 N ATOM 1220 CA LYS A 77 12.202 23.369 -3.978 1.00 0.00 C ATOM 1221 C LYS A 77 12.531 22.999 -5.430 1.00 0.00 C ATOM 1222 O LYS A 77 11.778 22.310 -6.085 1.00 0.00 O ATOM 1223 CB LYS A 77 11.419 24.684 -3.961 1.00 0.00 C ATOM 1224 CG LYS A 77 10.835 24.912 -2.566 1.00 0.00 C ATOM 1225 CD LYS A 77 9.418 25.476 -2.691 1.00 0.00 C ATOM 1226 CE LYS A 77 8.504 24.795 -1.670 1.00 0.00 C ATOM 1227 NZ LYS A 77 7.652 23.787 -2.359 1.00 0.00 N ATOM 0 H LYS A 77 13.668 24.489 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 77 11.608 22.567 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.073 25.513 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.619 24.653 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.817 23.975 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.465 25.603 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.428 26.553 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.038 25.313 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.101 24.313 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.878 25.537 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.888 23.484 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.241 24.208 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.231 22.964 -2.621 1.00 0.00 H new ATOM 1241 N GLN A 78 13.627 23.482 -5.949 1.00 0.00 N ATOM 1242 CA GLN A 78 13.979 23.194 -7.373 1.00 0.00 C ATOM 1243 C GLN A 78 14.381 21.726 -7.586 1.00 0.00 C ATOM 1244 O GLN A 78 14.009 21.120 -8.569 1.00 0.00 O ATOM 1245 CB GLN A 78 15.142 24.094 -7.791 1.00 0.00 C ATOM 1246 CG GLN A 78 15.546 23.771 -9.230 1.00 0.00 C ATOM 1247 CD GLN A 78 15.528 25.054 -10.066 1.00 0.00 C ATOM 1248 OE1 GLN A 78 14.813 25.146 -11.044 1.00 0.00 O ATOM 1249 NE2 GLN A 78 16.292 26.054 -9.718 1.00 0.00 N ATOM 0 H GLN A 78 14.297 24.066 -5.448 1.00 0.00 H new ATOM 0 HA GLN A 78 13.095 23.389 -7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 78 14.852 25.142 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.990 23.945 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.541 23.326 -9.248 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.861 23.038 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.892 25.976 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 78 16.289 26.913 -10.267 1.00 0.00 H new ATOM 1258 N LEU A 79 15.154 21.154 -6.704 1.00 0.00 N ATOM 1259 CA LEU A 79 15.581 19.746 -6.905 1.00 0.00 C ATOM 1260 C LEU A 79 14.409 18.821 -6.690 1.00 0.00 C ATOM 1261 O LEU A 79 14.121 17.999 -7.521 1.00 0.00 O ATOM 1262 CB LEU A 79 16.716 19.394 -5.941 1.00 0.00 C ATOM 1263 CG LEU A 79 18.008 20.065 -6.412 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.493 21.044 -5.341 1.00 0.00 C ATOM 1265 CD2 LEU A 79 19.079 18.999 -6.652 1.00 0.00 C ATOM 0 H LEU A 79 15.506 21.601 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 79 15.944 19.628 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.468 19.725 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.849 18.313 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 79 17.820 20.605 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.413 21.523 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.730 21.804 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.681 20.504 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.999 19.477 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.268 18.458 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.733 18.301 -7.415 1.00 0.00 H new ATOM 1277 N ILE A 80 13.719 18.950 -5.600 1.00 0.00 N ATOM 1278 CA ILE A 80 12.546 18.065 -5.392 1.00 0.00 C ATOM 1279 C ILE A 80 11.614 18.254 -6.576 1.00 0.00 C ATOM 1280 O ILE A 80 11.066 17.330 -7.122 1.00 0.00 O ATOM 1281 CB ILE A 80 11.794 18.477 -4.138 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.548 19.985 -4.160 1.00 0.00 C ATOM 1283 CG2 ILE A 80 12.602 18.087 -2.897 1.00 0.00 C ATOM 1284 CD1 ILE A 80 11.170 20.467 -2.757 1.00 0.00 C ATOM 0 H ILE A 80 13.910 19.618 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 80 12.878 17.031 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 80 10.833 17.963 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.442 20.504 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.750 20.223 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.058 18.385 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.755 17.008 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.569 18.590 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.995 21.543 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.263 19.958 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.982 20.244 -2.065 1.00 0.00 H new ATOM 1296 N ARG A 81 11.437 19.466 -6.968 1.00 0.00 N ATOM 1297 CA ARG A 81 10.549 19.752 -8.129 1.00 0.00 C ATOM 1298 C ARG A 81 10.994 18.868 -9.286 1.00 0.00 C ATOM 1299 O ARG A 81 10.209 18.170 -9.897 1.00 0.00 O ATOM 1300 CB ARG A 81 10.690 21.216 -8.539 1.00 0.00 C ATOM 1301 CG ARG A 81 9.650 21.549 -9.611 1.00 0.00 C ATOM 1302 CD ARG A 81 8.919 22.838 -9.232 1.00 0.00 C ATOM 1303 NE ARG A 81 8.310 23.439 -10.451 1.00 0.00 N ATOM 1304 CZ ARG A 81 9.063 23.755 -11.469 1.00 0.00 C ATOM 1305 NH1 ARG A 81 10.361 23.777 -11.339 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.518 24.049 -12.618 1.00 0.00 N ATOM 0 H ARG A 81 11.867 20.285 -6.539 1.00 0.00 H new ATOM 0 HA ARG A 81 9.510 19.555 -7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.554 21.862 -7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.694 21.403 -8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.136 21.666 -10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.938 20.730 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.146 22.627 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.614 23.542 -8.775 1.00 0.00 H new ATOM 0 HE ARG A 81 7.304 23.604 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.788 23.547 -10.441 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.949 24.024 -12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.503 24.032 -12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.107 24.296 -13.413 1.00 0.00 H new ATOM 1320 N PHE A 82 12.264 18.883 -9.571 1.00 0.00 N ATOM 1321 CA PHE A 82 12.803 18.049 -10.651 1.00 0.00 C ATOM 1322 C PHE A 82 12.625 16.582 -10.262 1.00 0.00 C ATOM 1323 O PHE A 82 12.463 15.724 -11.108 1.00 0.00 O ATOM 1324 CB PHE A 82 14.278 18.397 -10.825 1.00 0.00 C ATOM 1325 CG PHE A 82 14.408 19.591 -11.741 1.00 0.00 C ATOM 1326 CD1 PHE A 82 13.520 20.667 -11.619 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.414 19.618 -12.714 1.00 0.00 C ATOM 1328 CE1 PHE A 82 13.641 21.771 -12.470 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.534 20.724 -13.564 1.00 0.00 C ATOM 1330 CZ PHE A 82 14.647 21.801 -13.442 1.00 0.00 C ATOM 0 H PHE A 82 12.956 19.453 -9.085 1.00 0.00 H new ATOM 0 HA PHE A 82 12.284 18.225 -11.593 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.728 18.617 -9.857 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.817 17.546 -11.241 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.743 20.645 -10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.097 18.787 -12.809 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.957 22.601 -12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.311 20.747 -14.314 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.739 22.654 -14.098 1.00 0.00 H new ATOM 1340 N LEU A 83 12.628 16.280 -8.985 1.00 0.00 N ATOM 1341 CA LEU A 83 12.430 14.860 -8.572 1.00 0.00 C ATOM 1342 C LEU A 83 11.083 14.395 -9.102 1.00 0.00 C ATOM 1343 O LEU A 83 10.952 13.376 -9.749 1.00 0.00 O ATOM 1344 CB LEU A 83 12.412 14.771 -7.050 1.00 0.00 C ATOM 1345 CG LEU A 83 13.842 14.781 -6.503 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.814 14.721 -4.974 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.601 13.571 -7.029 1.00 0.00 C ATOM 0 H LEU A 83 12.757 16.946 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 83 13.236 14.241 -8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.851 15.609 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.902 13.860 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 83 14.336 15.697 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.834 14.728 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.274 15.585 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.313 13.807 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.618 13.581 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.098 12.659 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.631 13.605 -8.118 1.00 0.00 H new ATOM 1359 N LYS A 84 10.095 15.166 -8.825 1.00 0.00 N ATOM 1360 CA LYS A 84 8.713 14.860 -9.290 1.00 0.00 C ATOM 1361 C LYS A 84 8.725 14.741 -10.805 1.00 0.00 C ATOM 1362 O LYS A 84 8.139 13.839 -11.365 1.00 0.00 O ATOM 1363 CB LYS A 84 7.766 15.983 -8.868 1.00 0.00 C ATOM 1364 CG LYS A 84 6.324 15.583 -9.195 1.00 0.00 C ATOM 1365 CD LYS A 84 5.726 16.588 -10.182 1.00 0.00 C ATOM 1366 CE LYS A 84 4.208 16.638 -10.002 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.865 17.626 -8.940 1.00 0.00 N ATOM 0 H LYS A 84 10.177 16.024 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 84 8.370 13.925 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.868 16.177 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.025 16.906 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.302 14.580 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.728 15.554 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.155 17.576 -10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.972 16.301 -11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.729 16.916 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.831 15.652 -9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.833 17.660 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.311 17.342 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.212 18.567 -9.216 1.00 0.00 H new ATOM 1381 N ARG A 85 9.404 15.620 -11.487 1.00 0.00 N ATOM 1382 CA ARG A 85 9.448 15.492 -12.963 1.00 0.00 C ATOM 1383 C ARG A 85 9.893 14.072 -13.264 1.00 0.00 C ATOM 1384 O ARG A 85 9.459 13.440 -14.208 1.00 0.00 O ATOM 1385 CB ARG A 85 10.449 16.492 -13.550 1.00 0.00 C ATOM 1386 CG ARG A 85 10.162 16.687 -15.040 1.00 0.00 C ATOM 1387 CD ARG A 85 11.479 16.884 -15.792 1.00 0.00 C ATOM 1388 NE ARG A 85 11.192 17.231 -17.213 1.00 0.00 N ATOM 1389 CZ ARG A 85 10.556 16.386 -17.976 1.00 0.00 C ATOM 1390 NH1 ARG A 85 11.124 15.264 -18.322 1.00 0.00 N ATOM 1391 NH2 ARG A 85 9.349 16.662 -18.391 1.00 0.00 N ATOM 0 H ARG A 85 9.920 16.406 -11.093 1.00 0.00 H new ATOM 0 HA ARG A 85 8.473 15.701 -13.404 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.376 17.445 -13.027 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.467 16.129 -13.409 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.631 15.821 -15.435 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.515 17.552 -15.186 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.063 17.676 -15.324 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.078 15.975 -15.742 1.00 0.00 H new ATOM 0 HE ARG A 85 11.493 18.130 -17.589 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.066 15.047 -17.996 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.626 14.603 -18.919 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.904 17.538 -18.118 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.851 16.001 -18.988 1.00 0.00 H new ATOM 1405 N LEU A 86 10.754 13.572 -12.432 1.00 0.00 N ATOM 1406 CA LEU A 86 11.261 12.184 -12.595 1.00 0.00 C ATOM 1407 C LEU A 86 10.157 11.169 -12.267 1.00 0.00 C ATOM 1408 O LEU A 86 10.077 10.134 -12.883 1.00 0.00 O ATOM 1409 CB LEU A 86 12.456 11.957 -11.663 1.00 0.00 C ATOM 1410 CG LEU A 86 13.156 10.645 -12.033 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.391 10.593 -13.545 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.500 10.564 -11.307 1.00 0.00 C ATOM 0 H LEU A 86 11.136 14.074 -11.630 1.00 0.00 H new ATOM 0 HA LEU A 86 11.573 12.046 -13.630 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.156 12.789 -11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.120 11.922 -10.627 1.00 0.00 H new ATOM 0 HG LEU A 86 12.528 9.805 -11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.889 9.659 -13.804 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.434 10.650 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.017 11.433 -13.845 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.999 9.631 -11.569 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.125 11.406 -11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.334 10.597 -10.230 1.00 0.00 H new ATOM 1424 N ASP A 87 9.308 11.432 -11.298 1.00 0.00 N ATOM 1425 CA ASP A 87 8.242 10.439 -10.972 1.00 0.00 C ATOM 1426 C ASP A 87 7.260 10.321 -12.128 1.00 0.00 C ATOM 1427 O ASP A 87 6.951 9.248 -12.606 1.00 0.00 O ATOM 1428 CB ASP A 87 7.462 10.951 -9.783 1.00 0.00 C ATOM 1429 CG ASP A 87 6.825 9.782 -9.028 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.992 8.657 -9.466 1.00 0.00 O ATOM 1431 OD2 ASP A 87 6.177 10.036 -8.027 1.00 0.00 O ATOM 0 H ASP A 87 9.309 12.279 -10.729 1.00 0.00 H new ATOM 0 HA ASP A 87 8.708 9.474 -10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.122 11.507 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.689 11.643 -10.116 1.00 0.00 H new ATOM 1436 N ARG A 88 6.760 11.433 -12.554 1.00 0.00 N ATOM 1437 CA ARG A 88 5.764 11.450 -13.669 1.00 0.00 C ATOM 1438 C ARG A 88 6.325 10.747 -14.916 1.00 0.00 C ATOM 1439 O ARG A 88 5.663 9.939 -15.535 1.00 0.00 O ATOM 1440 CB ARG A 88 5.437 12.903 -14.022 1.00 0.00 C ATOM 1441 CG ARG A 88 3.918 13.093 -14.032 1.00 0.00 C ATOM 1442 CD ARG A 88 3.326 12.418 -15.270 1.00 0.00 C ATOM 1443 NE ARG A 88 4.025 12.915 -16.488 1.00 0.00 N ATOM 1444 CZ ARG A 88 4.166 14.198 -16.682 1.00 0.00 C ATOM 1445 NH1 ARG A 88 3.112 14.957 -16.806 1.00 0.00 N ATOM 1446 NH2 ARG A 88 5.359 14.721 -16.751 1.00 0.00 N ATOM 0 H ARG A 88 6.996 12.351 -12.178 1.00 0.00 H new ATOM 0 HA ARG A 88 4.867 10.923 -13.344 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.894 13.577 -13.297 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.853 13.154 -14.998 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.482 12.666 -13.129 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.674 14.155 -14.033 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.432 11.336 -15.193 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.259 12.630 -15.338 1.00 0.00 H new ATOM 0 HE ARG A 88 4.393 12.253 -17.170 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.179 14.548 -16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.221 15.960 -16.958 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.183 14.127 -16.653 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.468 15.724 -16.903 1.00 0.00 H new ATOM 1460 N ASN A 89 7.528 11.075 -15.301 1.00 0.00 N ATOM 1461 CA ASN A 89 8.131 10.450 -16.538 1.00 0.00 C ATOM 1462 C ASN A 89 8.479 8.975 -16.299 1.00 0.00 C ATOM 1463 O ASN A 89 8.324 8.147 -17.172 1.00 0.00 O ATOM 1464 CB ASN A 89 9.400 11.232 -16.967 1.00 0.00 C ATOM 1465 CG ASN A 89 10.554 10.274 -17.299 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.566 10.265 -16.626 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.436 9.457 -18.311 1.00 0.00 N ATOM 0 H ASN A 89 8.127 11.746 -14.821 1.00 0.00 H new ATOM 0 HA ASN A 89 7.391 10.500 -17.337 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.174 11.849 -17.837 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.703 11.907 -16.167 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.193 8.812 -18.536 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.587 9.464 -18.876 1.00 0.00 H new ATOM 1474 N LEU A 90 8.984 8.648 -15.152 1.00 0.00 N ATOM 1475 CA LEU A 90 9.370 7.264 -14.879 1.00 0.00 C ATOM 1476 C LEU A 90 8.168 6.338 -15.102 1.00 0.00 C ATOM 1477 O LEU A 90 8.314 5.195 -15.470 1.00 0.00 O ATOM 1478 CB LEU A 90 9.852 7.200 -13.431 1.00 0.00 C ATOM 1479 CG LEU A 90 10.863 6.070 -13.269 1.00 0.00 C ATOM 1480 CD1 LEU A 90 10.966 5.672 -11.796 1.00 0.00 C ATOM 1481 CD2 LEU A 90 10.404 4.880 -14.093 1.00 0.00 C ATOM 0 H LEU A 90 9.145 9.299 -14.384 1.00 0.00 H new ATOM 0 HA LEU A 90 10.166 6.937 -15.548 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.306 8.149 -13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.005 7.040 -12.764 1.00 0.00 H new ATOM 0 HG LEU A 90 11.843 6.401 -13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.690 4.864 -11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.290 6.531 -11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.992 5.336 -11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.120 4.065 -13.985 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.425 4.552 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.338 5.168 -15.142 1.00 0.00 H new ATOM 1493 N TRP A 91 6.981 6.823 -14.895 1.00 0.00 N ATOM 1494 CA TRP A 91 5.784 5.971 -15.105 1.00 0.00 C ATOM 1495 C TRP A 91 5.702 5.554 -16.581 1.00 0.00 C ATOM 1496 O TRP A 91 5.252 4.471 -16.899 1.00 0.00 O ATOM 1497 CB TRP A 91 4.539 6.768 -14.709 1.00 0.00 C ATOM 1498 CG TRP A 91 4.448 6.832 -13.224 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.321 7.968 -12.514 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.464 5.740 -12.262 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.264 7.651 -11.168 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.349 6.287 -10.963 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.571 4.344 -12.390 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.338 5.476 -9.826 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.560 3.524 -11.249 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.444 4.090 -9.970 1.00 0.00 C ATOM 0 H TRP A 91 6.787 7.776 -14.588 1.00 0.00 H new ATOM 0 HA TRP A 91 5.850 5.072 -14.493 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.589 7.774 -15.126 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.646 6.297 -15.120 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.272 8.965 -12.927 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.171 8.339 -10.420 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.662 3.900 -13.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.248 5.916 -8.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.641 2.452 -11.357 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.437 3.454 -9.097 1.00 0.00 H new ATOM 1517 N GLY A 92 6.133 6.396 -17.487 1.00 0.00 N ATOM 1518 CA GLY A 92 6.073 6.029 -18.931 1.00 0.00 C ATOM 1519 C GLY A 92 7.100 4.935 -19.241 1.00 0.00 C ATOM 1520 O GLY A 92 6.788 3.932 -19.852 1.00 0.00 O ATOM 0 H GLY A 92 6.522 7.318 -17.288 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.072 5.680 -19.184 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.270 6.907 -19.546 1.00 0.00 H new ATOM 1524 N LEU A 93 8.326 5.130 -18.839 1.00 0.00 N ATOM 1525 CA LEU A 93 9.385 4.114 -19.124 1.00 0.00 C ATOM 1526 C LEU A 93 9.047 2.780 -18.441 1.00 0.00 C ATOM 1527 O LEU A 93 9.249 1.723 -19.002 1.00 0.00 O ATOM 1528 CB LEU A 93 10.738 4.633 -18.612 1.00 0.00 C ATOM 1529 CG LEU A 93 11.022 6.015 -19.217 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.125 6.712 -18.420 1.00 0.00 C ATOM 1531 CD2 LEU A 93 11.483 5.848 -20.663 1.00 0.00 C ATOM 0 H LEU A 93 8.643 5.951 -18.324 1.00 0.00 H new ATOM 0 HA LEU A 93 9.438 3.948 -20.200 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.726 4.697 -17.524 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.532 3.937 -18.882 1.00 0.00 H new ATOM 0 HG LEU A 93 10.113 6.615 -19.183 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.323 7.692 -18.853 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.806 6.831 -17.384 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.033 6.111 -18.453 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.686 6.828 -21.096 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.391 5.245 -20.688 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.702 5.351 -21.239 1.00 0.00 H new ATOM 1543 N ALA A 94 8.537 2.817 -17.240 1.00 0.00 N ATOM 1544 CA ALA A 94 8.194 1.550 -16.534 1.00 0.00 C ATOM 1545 C ALA A 94 7.048 0.848 -17.267 1.00 0.00 C ATOM 1546 O ALA A 94 7.217 -0.217 -17.826 1.00 0.00 O ATOM 1547 CB ALA A 94 7.764 1.866 -15.101 1.00 0.00 C ATOM 0 H ALA A 94 8.343 3.671 -16.717 1.00 0.00 H new ATOM 0 HA ALA A 94 9.067 0.897 -16.517 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.513 0.940 -14.584 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.580 2.364 -14.578 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.892 2.520 -15.119 1.00 0.00 H new ATOM 1553 N GLY A 95 5.882 1.438 -17.274 1.00 0.00 N ATOM 1554 CA GLY A 95 4.733 0.801 -17.977 1.00 0.00 C ATOM 1555 C GLY A 95 3.596 0.529 -16.986 1.00 0.00 C ATOM 1556 O GLY A 95 2.441 0.474 -17.359 1.00 0.00 O ATOM 0 H GLY A 95 5.677 2.330 -16.825 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.380 1.451 -18.778 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.052 -0.132 -18.441 1.00 0.00 H new ATOM 1560 N LEU A 96 3.907 0.355 -15.729 1.00 0.00 N ATOM 1561 CA LEU A 96 2.841 0.086 -14.730 1.00 0.00 C ATOM 1562 C LEU A 96 2.677 1.306 -13.820 1.00 0.00 C ATOM 1563 O LEU A 96 3.505 2.195 -13.801 1.00 0.00 O ATOM 1564 CB LEU A 96 3.238 -1.120 -13.883 1.00 0.00 C ATOM 1565 CG LEU A 96 1.983 -1.861 -13.421 1.00 0.00 C ATOM 1566 CD1 LEU A 96 1.224 -2.392 -14.637 1.00 0.00 C ATOM 1567 CD2 LEU A 96 2.386 -3.031 -12.520 1.00 0.00 C ATOM 0 H LEU A 96 4.855 0.388 -15.354 1.00 0.00 H new ATOM 0 HA LEU A 96 1.902 -0.117 -15.245 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.875 -1.789 -14.462 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.819 -0.795 -13.020 1.00 0.00 H new ATOM 0 HG LEU A 96 1.342 -1.177 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.330 -2.920 -14.306 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.937 -1.559 -15.279 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.863 -3.076 -15.195 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.492 -3.560 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.028 -3.714 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.925 -2.653 -11.652 1.00 0.00 H new ATOM 1579 N ASN A 97 1.613 1.351 -13.065 1.00 0.00 N ATOM 1580 CA ASN A 97 1.390 2.509 -12.156 1.00 0.00 C ATOM 1581 C ASN A 97 0.638 2.041 -10.907 1.00 0.00 C ATOM 1582 O ASN A 97 -0.391 2.580 -10.553 1.00 0.00 O ATOM 1583 CB ASN A 97 0.560 3.567 -12.882 1.00 0.00 C ATOM 1584 CG ASN A 97 0.883 4.950 -12.314 1.00 0.00 C ATOM 1585 OD1 ASN A 97 0.841 5.936 -13.022 1.00 0.00 O ATOM 1586 ND2 ASN A 97 1.208 5.064 -11.056 1.00 0.00 N ATOM 0 H ASN A 97 0.888 0.634 -13.039 1.00 0.00 H new ATOM 0 HA ASN A 97 2.350 2.934 -11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.775 3.542 -13.950 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.503 3.354 -12.765 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.427 5.981 -10.667 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.243 4.236 -10.461 1.00 0.00 H new ATOM 1593 N SER A 98 1.145 1.042 -10.238 1.00 0.00 N ATOM 1594 CA SER A 98 0.459 0.541 -9.014 1.00 0.00 C ATOM 1595 C SER A 98 1.216 -0.670 -8.466 1.00 0.00 C ATOM 1596 O SER A 98 0.727 -1.782 -8.492 1.00 0.00 O ATOM 1597 CB SER A 98 -0.973 0.131 -9.364 1.00 0.00 C ATOM 1598 OG SER A 98 -1.881 0.793 -8.497 1.00 0.00 O ATOM 0 H SER A 98 2.004 0.551 -10.486 1.00 0.00 H new ATOM 0 HA SER A 98 0.438 1.328 -8.261 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.192 0.386 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.086 -0.949 -9.271 1.00 0.00 H new ATOM 0 HG SER A 98 -2.798 0.532 -8.722 1.00 0.00 H new ATOM 1604 N CYS A 99 2.410 -0.468 -7.977 1.00 0.00 N ATOM 1605 CA CYS A 99 3.197 -1.611 -7.436 1.00 0.00 C ATOM 1606 C CYS A 99 3.599 -1.327 -5.984 1.00 0.00 C ATOM 1607 O CYS A 99 4.769 -1.191 -5.685 1.00 0.00 O ATOM 1608 CB CYS A 99 4.457 -1.794 -8.280 1.00 0.00 C ATOM 1609 SG CYS A 99 4.021 -1.734 -10.036 1.00 0.00 S ATOM 0 H CYS A 99 2.873 0.439 -7.929 1.00 0.00 H new ATOM 0 HA CYS A 99 2.590 -2.516 -7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.180 -1.013 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 99 4.930 -2.747 -8.044 1.00 0.00 H new ATOM 1614 N PRO A 100 2.618 -1.255 -5.121 1.00 0.00 N ATOM 1615 CA PRO A 100 2.829 -0.995 -3.663 1.00 0.00 C ATOM 1616 C PRO A 100 3.363 -2.250 -2.969 1.00 0.00 C ATOM 1617 O PRO A 100 2.954 -3.356 -3.263 1.00 0.00 O ATOM 1618 CB PRO A 100 1.432 -0.648 -3.164 1.00 0.00 C ATOM 1619 CG PRO A 100 0.448 -1.280 -4.138 1.00 0.00 C ATOM 1620 CD PRO A 100 1.170 -1.423 -5.480 1.00 0.00 C ATOM 0 HA PRO A 100 3.557 -0.208 -3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.276 -1.029 -2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.294 0.432 -3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.117 -2.252 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.442 -0.659 -4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.980 -2.395 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.843 -0.667 -6.194 1.00 0.00 H new ATOM 1628 N VAL A 101 4.275 -2.091 -2.047 1.00 0.00 N ATOM 1629 CA VAL A 101 4.829 -3.279 -1.337 1.00 0.00 C ATOM 1630 C VAL A 101 5.335 -2.861 0.046 1.00 0.00 C ATOM 1631 O VAL A 101 5.168 -3.572 1.016 1.00 0.00 O ATOM 1632 CB VAL A 101 5.988 -3.863 -2.146 1.00 0.00 C ATOM 1633 CG1 VAL A 101 7.017 -2.767 -2.429 1.00 0.00 C ATOM 1634 CG2 VAL A 101 6.648 -4.991 -1.350 1.00 0.00 C ATOM 0 H VAL A 101 4.659 -1.192 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 101 4.047 -4.030 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 101 5.610 -4.257 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.843 -3.183 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.547 -1.964 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.396 -2.371 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.474 -5.408 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.026 -4.598 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.915 -5.772 -1.150 1.00 0.00 H new ATOM 1644 N LYS A 102 5.953 -1.713 0.141 1.00 0.00 N ATOM 1645 CA LYS A 102 6.472 -1.247 1.460 1.00 0.00 C ATOM 1646 C LYS A 102 7.781 -1.971 1.773 1.00 0.00 C ATOM 1647 O LYS A 102 7.813 -2.924 2.526 1.00 0.00 O ATOM 1648 CB LYS A 102 5.447 -1.538 2.560 1.00 0.00 C ATOM 1649 CG LYS A 102 4.043 -1.190 2.061 1.00 0.00 C ATOM 1650 CD LYS A 102 3.099 -2.363 2.329 1.00 0.00 C ATOM 1651 CE LYS A 102 1.862 -1.862 3.075 1.00 0.00 C ATOM 1652 NZ LYS A 102 0.681 -2.686 2.693 1.00 0.00 N ATOM 0 H LYS A 102 6.121 -1.078 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 102 6.649 -0.172 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.492 -2.589 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.681 -0.957 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.679 -0.294 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.070 -0.968 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.805 -2.830 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.608 -3.126 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.026 -1.919 4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.680 -0.814 2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.160 -2.344 3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.521 -2.609 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.856 -3.680 2.943 1.00 0.00 H new ATOM 1666 N GLU A 103 8.862 -1.522 1.200 1.00 0.00 N ATOM 1667 CA GLU A 103 10.173 -2.176 1.459 1.00 0.00 C ATOM 1668 C GLU A 103 10.899 -1.426 2.575 1.00 0.00 C ATOM 1669 O GLU A 103 11.621 -0.478 2.334 1.00 0.00 O ATOM 1670 CB GLU A 103 11.021 -2.145 0.185 1.00 0.00 C ATOM 1671 CG GLU A 103 11.917 -3.385 0.139 1.00 0.00 C ATOM 1672 CD GLU A 103 11.046 -4.643 0.097 1.00 0.00 C ATOM 1673 OE1 GLU A 103 9.975 -4.579 -0.482 1.00 0.00 O ATOM 1674 OE2 GLU A 103 11.467 -5.647 0.646 1.00 0.00 O ATOM 0 H GLU A 103 8.893 -0.727 0.561 1.00 0.00 H new ATOM 0 HA GLU A 103 10.012 -3.211 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.376 -2.116 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.630 -1.242 0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.563 -3.348 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.568 -3.409 1.013 1.00 0.00 H new ATOM 1681 N ALA A 104 10.707 -1.844 3.794 1.00 0.00 N ATOM 1682 CA ALA A 104 11.378 -1.161 4.936 1.00 0.00 C ATOM 1683 C ALA A 104 12.831 -0.845 4.568 1.00 0.00 C ATOM 1684 O ALA A 104 13.143 0.245 4.132 1.00 0.00 O ATOM 1685 CB ALA A 104 11.351 -2.074 6.165 1.00 0.00 C ATOM 0 H ALA A 104 10.112 -2.632 4.050 1.00 0.00 H new ATOM 0 HA ALA A 104 10.852 -0.233 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.842 -1.574 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.317 -2.295 6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.875 -3.003 5.940 1.00 0.00 H new ATOM 1691 N ASN A 105 13.719 -1.791 4.735 1.00 0.00 N ATOM 1692 CA ASN A 105 15.148 -1.551 4.393 1.00 0.00 C ATOM 1693 C ASN A 105 15.566 -0.151 4.849 1.00 0.00 C ATOM 1694 O ASN A 105 14.893 0.483 5.636 1.00 0.00 O ATOM 1695 CB ASN A 105 15.322 -1.682 2.882 1.00 0.00 C ATOM 1696 CG ASN A 105 14.637 -0.508 2.182 1.00 0.00 C ATOM 1697 OD1 ASN A 105 14.888 0.636 2.499 1.00 0.00 O ATOM 1698 ND2 ASN A 105 13.771 -0.747 1.234 1.00 0.00 N ATOM 0 H ASN A 105 13.512 -2.723 5.095 1.00 0.00 H new ATOM 0 HA ASN A 105 15.776 -2.283 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.382 -1.701 2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.895 -2.623 2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 105 13.306 0.028 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 105 13.560 -1.708 0.967 1.00 0.00 H new ATOM 1705 N GLN A 106 16.678 0.333 4.368 1.00 0.00 N ATOM 1706 CA GLN A 106 17.136 1.690 4.782 1.00 0.00 C ATOM 1707 C GLN A 106 18.375 2.092 3.976 1.00 0.00 C ATOM 1708 O GLN A 106 19.169 1.262 3.584 1.00 0.00 O ATOM 1709 CB GLN A 106 17.481 1.678 6.272 1.00 0.00 C ATOM 1710 CG GLN A 106 18.507 0.576 6.546 1.00 0.00 C ATOM 1711 CD GLN A 106 19.705 1.168 7.292 1.00 0.00 C ATOM 1712 OE1 GLN A 106 20.214 0.572 8.219 1.00 0.00 O ATOM 1713 NE2 GLN A 106 20.181 2.327 6.922 1.00 0.00 N ATOM 0 H GLN A 106 17.288 -0.150 3.708 1.00 0.00 H new ATOM 0 HA GLN A 106 16.338 2.409 4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.882 2.646 6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.581 1.508 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.053 -0.219 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.834 0.128 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.754 2.829 6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.980 2.730 7.412 1.00 0.00 H new ATOM 1722 N SER A 107 18.542 3.364 3.732 1.00 0.00 N ATOM 1723 CA SER A 107 19.724 3.834 2.956 1.00 0.00 C ATOM 1724 C SER A 107 19.634 5.354 2.796 1.00 0.00 C ATOM 1725 O SER A 107 18.760 5.986 3.354 1.00 0.00 O ATOM 1726 CB SER A 107 19.732 3.163 1.580 1.00 0.00 C ATOM 1727 OG SER A 107 20.987 3.380 0.954 1.00 0.00 O ATOM 0 H SER A 107 17.907 4.101 4.039 1.00 0.00 H new ATOM 0 HA SER A 107 20.644 3.574 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 107 19.546 2.094 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.931 3.568 0.962 1.00 0.00 H new ATOM 0 HG SER A 107 20.912 3.191 -0.005 1.00 0.00 H new ATOM 1733 N THR A 108 20.520 5.953 2.048 1.00 0.00 N ATOM 1734 CA THR A 108 20.455 7.430 1.876 1.00 0.00 C ATOM 1735 C THR A 108 19.998 7.751 0.449 1.00 0.00 C ATOM 1736 O THR A 108 20.357 7.066 -0.483 1.00 0.00 O ATOM 1737 CB THR A 108 21.844 8.030 2.113 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.716 7.629 1.066 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.391 7.538 3.454 1.00 0.00 C ATOM 0 H THR A 108 21.280 5.487 1.552 1.00 0.00 H new ATOM 0 HA THR A 108 19.749 7.853 2.591 1.00 0.00 H new ATOM 0 HB THR A 108 21.773 9.118 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.605 8.014 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.380 7.965 3.622 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.721 7.847 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.463 6.450 3.441 1.00 0.00 H new ATOM 1747 N LEU A 109 19.211 8.779 0.257 1.00 0.00 N ATOM 1748 CA LEU A 109 18.769 9.099 -1.132 1.00 0.00 C ATOM 1749 C LEU A 109 19.990 9.151 -2.050 1.00 0.00 C ATOM 1750 O LEU A 109 19.894 8.881 -3.222 1.00 0.00 O ATOM 1751 CB LEU A 109 18.061 10.444 -1.205 1.00 0.00 C ATOM 1752 CG LEU A 109 17.478 10.555 -2.614 1.00 0.00 C ATOM 1753 CD1 LEU A 109 16.216 11.399 -2.600 1.00 0.00 C ATOM 1754 CD2 LEU A 109 18.503 11.197 -3.536 1.00 0.00 C ATOM 0 H LEU A 109 18.861 9.400 0.987 1.00 0.00 H new ATOM 0 HA LEU A 109 18.072 8.321 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.274 10.509 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 109 18.757 11.259 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 109 17.231 9.556 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.813 11.468 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.477 10.937 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.451 12.398 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 109 18.089 11.277 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 109 18.752 12.192 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 109 19.403 10.583 -3.562 1.00 0.00 H new ATOM 1766 N GLU A 110 21.139 9.508 -1.540 1.00 0.00 N ATOM 1767 CA GLU A 110 22.340 9.568 -2.421 1.00 0.00 C ATOM 1768 C GLU A 110 22.422 8.263 -3.206 1.00 0.00 C ATOM 1769 O GLU A 110 22.627 8.252 -4.404 1.00 0.00 O ATOM 1770 CB GLU A 110 23.602 9.729 -1.569 1.00 0.00 C ATOM 1771 CG GLU A 110 24.746 10.247 -2.445 1.00 0.00 C ATOM 1772 CD GLU A 110 25.595 9.068 -2.929 1.00 0.00 C ATOM 1773 OE1 GLU A 110 25.256 7.945 -2.598 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.568 9.311 -3.624 1.00 0.00 O ATOM 0 H GLU A 110 21.297 9.758 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 110 22.262 10.417 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.414 10.423 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.876 8.774 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.345 10.794 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.363 10.945 -1.880 1.00 0.00 H new ATOM 1781 N ASN A 111 22.248 7.163 -2.533 1.00 0.00 N ATOM 1782 CA ASN A 111 22.295 5.843 -3.223 1.00 0.00 C ATOM 1783 C ASN A 111 21.085 5.714 -4.145 1.00 0.00 C ATOM 1784 O ASN A 111 21.136 5.035 -5.130 1.00 0.00 O ATOM 1785 CB ASN A 111 22.288 4.700 -2.198 1.00 0.00 C ATOM 1786 CG ASN A 111 23.083 3.517 -2.754 1.00 0.00 C ATOM 1787 OD1 ASN A 111 24.089 3.129 -2.192 1.00 0.00 O ATOM 1788 ND2 ASN A 111 22.673 2.922 -3.840 1.00 0.00 N ATOM 0 H ASN A 111 22.074 7.119 -1.529 1.00 0.00 H new ATOM 0 HA ASN A 111 23.213 5.780 -3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.725 5.037 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.264 4.396 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.196 2.132 -4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 111 21.829 3.247 -4.312 1.00 0.00 H new ATOM 1795 N PHE A 112 19.995 6.346 -3.828 1.00 0.00 N ATOM 1796 CA PHE A 112 18.796 6.249 -4.717 1.00 0.00 C ATOM 1797 C PHE A 112 19.107 6.923 -6.049 1.00 0.00 C ATOM 1798 O PHE A 112 18.782 6.413 -7.091 1.00 0.00 O ATOM 1799 CB PHE A 112 17.608 6.960 -4.053 1.00 0.00 C ATOM 1800 CG PHE A 112 16.349 6.721 -4.860 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.999 7.608 -5.888 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.534 5.617 -4.583 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.837 7.388 -6.637 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.371 5.399 -5.334 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.023 6.285 -6.360 1.00 0.00 C ATOM 0 H PHE A 112 19.876 6.925 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 112 18.546 5.201 -4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.474 6.591 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.807 8.029 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.626 8.461 -6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.801 4.933 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.569 8.071 -7.430 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.743 4.547 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.126 6.117 -6.938 1.00 0.00 H new ATOM 1815 N LEU A 113 19.731 8.060 -6.037 1.00 0.00 N ATOM 1816 CA LEU A 113 20.061 8.714 -7.327 1.00 0.00 C ATOM 1817 C LEU A 113 21.186 7.913 -8.004 1.00 0.00 C ATOM 1818 O LEU A 113 21.258 7.834 -9.214 1.00 0.00 O ATOM 1819 CB LEU A 113 20.504 10.160 -7.076 1.00 0.00 C ATOM 1820 CG LEU A 113 19.276 11.020 -6.744 1.00 0.00 C ATOM 1821 CD1 LEU A 113 19.737 12.394 -6.255 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.419 11.189 -8.001 1.00 0.00 C ATOM 0 H LEU A 113 20.025 8.562 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 113 19.186 8.734 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.219 10.195 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.011 10.555 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 113 18.689 10.533 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 113 18.867 13.007 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.351 12.275 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.322 12.880 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.547 11.799 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.006 11.678 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.093 10.210 -8.354 1.00 0.00 H new ATOM 1834 N GLU A 114 22.058 7.309 -7.230 1.00 0.00 N ATOM 1835 CA GLU A 114 23.166 6.504 -7.823 1.00 0.00 C ATOM 1836 C GLU A 114 22.597 5.219 -8.429 1.00 0.00 C ATOM 1837 O GLU A 114 22.941 4.813 -9.518 1.00 0.00 O ATOM 1838 CB GLU A 114 24.151 6.143 -6.713 1.00 0.00 C ATOM 1839 CG GLU A 114 25.573 6.099 -7.270 1.00 0.00 C ATOM 1840 CD GLU A 114 25.600 5.260 -8.549 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.632 4.046 -8.437 1.00 0.00 O ATOM 1842 OE2 GLU A 114 25.588 5.846 -9.619 1.00 0.00 O ATOM 0 H GLU A 114 22.047 7.341 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 114 23.668 7.078 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.089 6.876 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 114 23.890 5.176 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 114 25.923 7.110 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.251 5.673 -6.530 1.00 0.00 H new ATOM 1849 N ARG A 115 21.729 4.582 -7.699 1.00 0.00 N ATOM 1850 CA ARG A 115 21.099 3.310 -8.146 1.00 0.00 C ATOM 1851 C ARG A 115 20.128 3.591 -9.286 1.00 0.00 C ATOM 1852 O ARG A 115 20.171 2.974 -10.332 1.00 0.00 O ATOM 1853 CB ARG A 115 20.318 2.726 -6.960 1.00 0.00 C ATOM 1854 CG ARG A 115 20.607 1.228 -6.838 1.00 0.00 C ATOM 1855 CD ARG A 115 22.118 0.995 -6.822 1.00 0.00 C ATOM 1856 NE ARG A 115 22.416 -0.292 -6.132 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.640 -0.572 -5.776 1.00 0.00 C ATOM 1858 NH1 ARG A 115 24.636 0.099 -6.286 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.867 -1.523 -4.913 1.00 0.00 N ATOM 0 H ARG A 115 21.420 4.901 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 115 21.863 2.613 -8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.601 3.237 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.249 2.890 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.159 0.834 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.155 0.691 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.504 0.971 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.618 1.818 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 115 21.664 -0.953 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.458 0.842 -6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 115 25.593 -0.119 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 115 23.088 -2.048 -4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.824 -1.742 -4.635 1.00 0.00 H new ATOM 1873 N LEU A 116 19.258 4.528 -9.078 1.00 0.00 N ATOM 1874 CA LEU A 116 18.265 4.888 -10.123 1.00 0.00 C ATOM 1875 C LEU A 116 19.008 5.279 -11.414 1.00 0.00 C ATOM 1876 O LEU A 116 18.614 4.891 -12.497 1.00 0.00 O ATOM 1877 CB LEU A 116 17.443 6.081 -9.630 1.00 0.00 C ATOM 1878 CG LEU A 116 16.256 6.301 -10.569 1.00 0.00 C ATOM 1879 CD1 LEU A 116 14.952 6.061 -9.805 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.281 7.736 -11.098 1.00 0.00 C ATOM 0 H LEU A 116 19.189 5.070 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 116 17.608 4.041 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.089 5.899 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.064 6.976 -9.595 1.00 0.00 H new ATOM 0 HG LEU A 116 16.321 5.606 -11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.105 6.217 -10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.934 5.038 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.887 6.756 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.435 7.892 -11.767 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.216 8.433 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.210 7.907 -11.642 1.00 0.00 H new ATOM 1892 N LYS A 117 20.077 6.052 -11.322 1.00 0.00 N ATOM 1893 CA LYS A 117 20.805 6.451 -12.561 1.00 0.00 C ATOM 1894 C LYS A 117 21.536 5.245 -13.166 1.00 0.00 C ATOM 1895 O LYS A 117 21.604 5.095 -14.370 1.00 0.00 O ATOM 1896 CB LYS A 117 21.822 7.541 -12.220 1.00 0.00 C ATOM 1897 CG LYS A 117 22.467 8.058 -13.506 1.00 0.00 C ATOM 1898 CD LYS A 117 23.984 7.874 -13.427 1.00 0.00 C ATOM 1899 CE LYS A 117 24.617 9.118 -12.800 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.628 8.703 -11.787 1.00 0.00 N ATOM 0 H LYS A 117 20.464 6.414 -10.451 1.00 0.00 H new ATOM 0 HA LYS A 117 20.085 6.827 -13.288 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.331 8.359 -11.693 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.586 7.144 -11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 117 22.069 7.520 -14.366 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.225 9.111 -13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 117 24.224 6.992 -12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.393 7.708 -14.423 1.00 0.00 H new ATOM 0 HE2 LYS A 117 25.088 9.728 -13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 117 23.849 9.734 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.973 9.541 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 25.192 8.042 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 26.425 8.235 -12.264 1.00 0.00 H new ATOM 1914 N THR A 118 22.095 4.396 -12.349 1.00 0.00 N ATOM 1915 CA THR A 118 22.834 3.216 -12.890 1.00 0.00 C ATOM 1916 C THR A 118 21.897 2.345 -13.731 1.00 0.00 C ATOM 1917 O THR A 118 22.317 1.708 -14.676 1.00 0.00 O ATOM 1918 CB THR A 118 23.396 2.381 -11.738 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.044 3.236 -10.808 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.400 1.365 -12.284 1.00 0.00 C ATOM 0 H THR A 118 22.073 4.466 -11.332 1.00 0.00 H new ATOM 0 HA THR A 118 23.651 3.575 -13.516 1.00 0.00 H new ATOM 0 HB THR A 118 22.582 1.853 -11.241 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.378 3.630 -10.206 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.800 0.771 -11.462 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.902 0.709 -12.998 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.215 1.890 -12.782 1.00 0.00 H new ATOM 1928 N ILE A 119 20.635 2.303 -13.400 1.00 0.00 N ATOM 1929 CA ILE A 119 19.697 1.468 -14.190 1.00 0.00 C ATOM 1930 C ILE A 119 19.499 2.096 -15.567 1.00 0.00 C ATOM 1931 O ILE A 119 19.622 1.446 -16.583 1.00 0.00 O ATOM 1932 CB ILE A 119 18.363 1.391 -13.468 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.554 1.053 -11.977 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.487 0.322 -14.122 1.00 0.00 C ATOM 1935 CD1 ILE A 119 19.826 0.226 -11.766 1.00 0.00 C ATOM 0 H ILE A 119 20.218 2.810 -12.619 1.00 0.00 H new ATOM 0 HA ILE A 119 20.106 0.464 -14.305 1.00 0.00 H new ATOM 0 HB ILE A 119 17.881 2.366 -13.541 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.612 1.973 -11.395 1.00 0.00 H new ATOM 0 HG13 ILE A 119 17.690 0.499 -11.611 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.530 0.268 -13.603 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.318 0.579 -15.168 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.987 -0.645 -14.062 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.941 -0.001 -10.706 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.753 -0.704 -12.330 1.00 0.00 H new ATOM 0 HD13 ILE A 119 20.690 0.793 -12.111 1.00 0.00 H new ATOM 1947 N MET A 120 19.188 3.358 -15.605 1.00 0.00 N ATOM 1948 CA MET A 120 18.977 4.040 -16.906 1.00 0.00 C ATOM 1949 C MET A 120 20.195 3.884 -17.798 1.00 0.00 C ATOM 1950 O MET A 120 20.094 3.460 -18.918 1.00 0.00 O ATOM 1951 CB MET A 120 18.760 5.515 -16.617 1.00 0.00 C ATOM 1952 CG MET A 120 17.270 5.748 -16.418 1.00 0.00 C ATOM 1953 SD MET A 120 16.975 6.655 -14.884 1.00 0.00 S ATOM 1954 CE MET A 120 15.201 6.310 -14.782 1.00 0.00 C ATOM 0 H MET A 120 19.070 3.951 -14.783 1.00 0.00 H new ATOM 0 HA MET A 120 18.120 3.603 -17.418 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.313 5.813 -15.726 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.133 6.122 -17.442 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.867 6.307 -17.262 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.746 4.792 -16.390 1.00 0.00 H new ATOM 0 HE1 MET A 120 14.743 6.972 -14.047 1.00 0.00 H new ATOM 0 HE2 MET A 120 14.741 6.477 -15.756 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.049 5.273 -14.482 1.00 0.00 H new ATOM 1964 N ARG A 121 21.344 4.211 -17.322 1.00 0.00 N ATOM 1965 CA ARG A 121 22.547 4.056 -18.184 1.00 0.00 C ATOM 1966 C ARG A 121 22.539 2.653 -18.787 1.00 0.00 C ATOM 1967 O ARG A 121 22.930 2.443 -19.918 1.00 0.00 O ATOM 1968 CB ARG A 121 23.803 4.233 -17.338 1.00 0.00 C ATOM 1969 CG ARG A 121 24.548 5.494 -17.782 1.00 0.00 C ATOM 1970 CD ARG A 121 24.998 6.282 -16.549 1.00 0.00 C ATOM 1971 NE ARG A 121 26.365 5.844 -16.151 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.208 6.706 -15.656 1.00 0.00 C ATOM 1973 NH1 ARG A 121 27.136 7.041 -14.397 1.00 0.00 N ATOM 1974 NH2 ARG A 121 28.127 7.234 -16.419 1.00 0.00 N ATOM 0 H ARG A 121 21.514 4.576 -16.385 1.00 0.00 H new ATOM 0 HA ARG A 121 22.536 4.805 -18.976 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.536 4.308 -16.284 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.449 3.361 -17.442 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.412 5.224 -18.389 1.00 0.00 H new ATOM 0 HG3 ARG A 121 23.901 6.111 -18.405 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.996 7.350 -16.766 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.300 6.122 -15.727 1.00 0.00 H new ATOM 0 HE ARG A 121 26.641 4.869 -16.266 1.00 0.00 H new ATOM 0 HH11 ARG A 121 26.420 6.628 -13.800 1.00 0.00 H new ATOM 0 HH12 ARG A 121 27.796 7.716 -14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 121 28.185 6.972 -17.403 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.786 7.909 -16.031 1.00 0.00 H new ATOM 1988 N GLU A 122 22.100 1.693 -18.029 1.00 0.00 N ATOM 1989 CA GLU A 122 22.061 0.289 -18.534 1.00 0.00 C ATOM 1990 C GLU A 122 21.048 0.158 -19.678 1.00 0.00 C ATOM 1991 O GLU A 122 21.354 -0.379 -20.723 1.00 0.00 O ATOM 1992 CB GLU A 122 21.630 -0.649 -17.396 1.00 0.00 C ATOM 1993 CG GLU A 122 22.706 -0.737 -16.298 1.00 0.00 C ATOM 1994 CD GLU A 122 22.049 -1.183 -14.991 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.181 -2.037 -15.047 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.428 -0.662 -13.954 1.00 0.00 O ATOM 0 H GLU A 122 21.763 1.817 -17.074 1.00 0.00 H new ATOM 0 HA GLU A 122 23.054 0.023 -18.896 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.696 -0.292 -16.963 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.436 -1.644 -17.797 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.483 -1.443 -16.589 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.189 0.231 -16.165 1.00 0.00 H new ATOM 2003 N LYS A 123 19.843 0.622 -19.488 1.00 0.00 N ATOM 2004 CA LYS A 123 18.821 0.493 -20.574 1.00 0.00 C ATOM 2005 C LYS A 123 19.213 1.370 -21.766 1.00 0.00 C ATOM 2006 O LYS A 123 19.239 0.929 -22.898 1.00 0.00 O ATOM 2007 CB LYS A 123 17.456 0.935 -20.043 1.00 0.00 C ATOM 2008 CG LYS A 123 16.527 -0.279 -19.956 1.00 0.00 C ATOM 2009 CD LYS A 123 15.250 0.108 -19.209 1.00 0.00 C ATOM 2010 CE LYS A 123 14.036 -0.153 -20.104 1.00 0.00 C ATOM 2011 NZ LYS A 123 12.788 0.021 -19.310 1.00 0.00 N ATOM 0 H LYS A 123 19.521 1.082 -18.636 1.00 0.00 H new ATOM 0 HA LYS A 123 18.770 -0.547 -20.897 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.567 1.393 -19.060 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.025 1.690 -20.700 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.282 -0.635 -20.957 1.00 0.00 H new ATOM 0 HG3 LYS A 123 17.029 -1.098 -19.440 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.166 -0.468 -18.287 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.287 1.160 -18.925 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.040 0.534 -20.950 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.082 -1.162 -20.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.963 -0.156 -19.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.785 -0.651 -18.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 12.744 0.992 -18.941 1.00 0.00 H new ATOM 2025 N TYR A 124 19.514 2.608 -21.514 1.00 0.00 N ATOM 2026 CA TYR A 124 19.904 3.538 -22.604 1.00 0.00 C ATOM 2027 C TYR A 124 21.116 2.978 -23.353 1.00 0.00 C ATOM 2028 O TYR A 124 21.296 3.221 -24.530 1.00 0.00 O ATOM 2029 CB TYR A 124 20.255 4.895 -21.992 1.00 0.00 C ATOM 2030 CG TYR A 124 20.541 5.884 -23.089 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.634 6.040 -24.139 1.00 0.00 C ATOM 2032 CD2 TYR A 124 21.716 6.640 -23.055 1.00 0.00 C ATOM 2033 CE1 TYR A 124 19.901 6.957 -25.163 1.00 0.00 C ATOM 2034 CE2 TYR A 124 21.985 7.559 -24.078 1.00 0.00 C ATOM 2035 CZ TYR A 124 21.078 7.717 -25.132 1.00 0.00 C ATOM 2036 OH TYR A 124 21.342 8.621 -26.140 1.00 0.00 O ATOM 0 H TYR A 124 19.506 3.023 -20.582 1.00 0.00 H new ATOM 0 HA TYR A 124 19.078 3.652 -23.306 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.431 5.251 -21.374 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.123 4.798 -21.340 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.727 5.454 -24.161 1.00 0.00 H new ATOM 0 HD2 TYR A 124 22.416 6.516 -22.242 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.200 7.078 -25.976 1.00 0.00 H new ATOM 0 HE2 TYR A 124 22.892 8.145 -24.053 1.00 0.00 H new ATOM 0 HH TYR A 124 22.198 9.065 -25.965 1.00 0.00 H new ATOM 2046 N SER A 125 21.952 2.232 -22.682 1.00 0.00 N ATOM 2047 CA SER A 125 23.152 1.664 -23.357 1.00 0.00 C ATOM 2048 C SER A 125 22.739 0.481 -24.232 1.00 0.00 C ATOM 2049 O SER A 125 22.577 0.606 -25.431 1.00 0.00 O ATOM 2050 CB SER A 125 24.152 1.188 -22.302 1.00 0.00 C ATOM 2051 OG SER A 125 24.839 0.042 -22.786 1.00 0.00 O ATOM 0 H SER A 125 21.855 1.992 -21.695 1.00 0.00 H new ATOM 0 HA SER A 125 23.612 2.432 -23.979 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.863 1.982 -22.074 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.632 0.949 -21.374 1.00 0.00 H new ATOM 0 HG SER A 125 25.481 -0.263 -22.112 1.00 0.00 H new ATOM 2057 N LYS A 126 22.576 -0.664 -23.640 1.00 0.00 N ATOM 2058 CA LYS A 126 22.180 -1.866 -24.429 1.00 0.00 C ATOM 2059 C LYS A 126 20.655 -1.960 -24.496 1.00 0.00 C ATOM 2060 O LYS A 126 20.089 -3.036 -24.479 1.00 0.00 O ATOM 2061 CB LYS A 126 22.743 -3.122 -23.759 1.00 0.00 C ATOM 2062 CG LYS A 126 24.240 -3.233 -24.057 1.00 0.00 C ATOM 2063 CD LYS A 126 25.022 -3.248 -22.743 1.00 0.00 C ATOM 2064 CE LYS A 126 24.780 -4.573 -22.019 1.00 0.00 C ATOM 2065 NZ LYS A 126 25.883 -4.819 -21.047 1.00 0.00 N ATOM 0 H LYS A 126 22.699 -0.824 -22.640 1.00 0.00 H new ATOM 0 HA LYS A 126 22.579 -1.783 -25.440 1.00 0.00 H new ATOM 0 HB2 LYS A 126 22.578 -3.078 -22.682 1.00 0.00 H new ATOM 0 HB3 LYS A 126 22.222 -4.007 -24.125 1.00 0.00 H new ATOM 0 HG2 LYS A 126 24.442 -4.142 -24.623 1.00 0.00 H new ATOM 0 HG3 LYS A 126 24.562 -2.394 -24.674 1.00 0.00 H new ATOM 0 HD2 LYS A 126 26.086 -3.118 -22.940 1.00 0.00 H new ATOM 0 HD3 LYS A 126 24.710 -2.415 -22.113 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.822 -4.545 -21.499 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.728 -5.389 -22.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.718 -5.720 -20.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 26.790 -4.863 -21.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.912 -4.046 -20.352 1.00 0.00 H new