USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 848 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 63 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.3!) USER MOD Set 1.2: A 96 THR OG1 : rot -68:sc= 0.0425 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.434 USER MOD Set 2.2: A 100 TYR OH : rot 156:sc= -1.3 USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= 0.0223 USER MOD Set 3.2: A 70 THR OG1 : rot 53:sc= 1.3 USER MOD Single : A 17 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.8!) USER MOD Single : A 22 GLN : amide:sc= -6.29! C(o=-6.3!,f=-12!) USER MOD Single : A 26 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 32 TYR OH : rot -27:sc= -3.26! USER MOD Single : A 33 ASN : amide:sc= -1.72! C(o=-1.7!,f=-5.3!) USER MOD Single : A 36 SER OG : rot -125:sc= 0.254 USER MOD Single : A 37 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 84:sc= -6.08! USER MOD Single : A 42 SER OG : rot -131:sc= -0.959! USER MOD Single : A 49 SER OG : rot 180:sc=-0.00965 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.84! C(o=-2.8!,f=-6.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.89 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -79:sc= 0.999 USER MOD Single : A 75 SER OG : rot -45:sc= 0.556 USER MOD Single : A 79 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.04) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -6.57! C(o=-11!,f=-6.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 151:sc= 0.988 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -40:sc= 0.00755 USER MOD Single : A 101 SER OG : rot -167:sc= -2.47! USER MOD Single : A 106 ASN : amide:sc= -0.0071 X(o=-0.0071,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.494 K(o=-0.49,f=-3.2!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 120:sc= -1.49 USER MOD Single : A 114 LYS NZ :NH3+ -104:sc= -1.55! (180deg=-3.43!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -13.055 12.150 19.632 1.00 0.00 N ATOM 2 CA GLY A 9 -11.592 11.940 19.817 1.00 0.00 C ATOM 3 C GLY A 9 -10.871 12.173 18.488 1.00 0.00 C ATOM 4 O GLY A 9 -10.894 13.258 17.939 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.209 12.623 20.575 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.401 10.928 20.174 1.00 0.00 H new ATOM 7 N ALA A 10 -10.230 11.164 17.966 1.00 0.00 N ATOM 8 CA ALA A 10 -9.508 11.328 16.671 1.00 0.00 C ATOM 9 C ALA A 10 -8.822 10.009 16.300 1.00 0.00 C ATOM 10 O ALA A 10 -8.879 9.050 17.044 1.00 0.00 O ATOM 11 CB ALA A 10 -8.455 12.428 16.812 1.00 0.00 C ATOM 0 H ALA A 10 -10.174 10.233 18.379 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.217 11.601 15.890 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.926 12.549 15.866 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.942 13.366 17.078 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.745 12.154 17.592 1.00 0.00 H new ATOM 17 N PRO A 11 -8.195 10.009 15.154 1.00 0.00 N ATOM 18 CA PRO A 11 -7.465 8.824 14.615 1.00 0.00 C ATOM 19 C PRO A 11 -6.063 8.734 15.224 1.00 0.00 C ATOM 20 O PRO A 11 -5.499 9.722 15.648 1.00 0.00 O ATOM 21 CB PRO A 11 -7.395 9.116 13.122 1.00 0.00 C ATOM 22 CG PRO A 11 -7.513 10.629 12.956 1.00 0.00 C ATOM 23 CD PRO A 11 -8.127 11.194 14.243 1.00 0.00 C ATOM 0 HA PRO A 11 -7.949 7.874 14.842 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.456 8.754 12.702 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.199 8.606 12.591 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.533 11.071 12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.137 10.872 12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.512 11.989 14.665 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.115 11.618 14.063 1.00 0.00 H new ATOM 31 N VAL A 12 -5.494 7.560 15.267 1.00 0.00 N ATOM 32 CA VAL A 12 -4.143 7.408 15.838 1.00 0.00 C ATOM 33 C VAL A 12 -3.213 6.930 14.722 1.00 0.00 C ATOM 34 O VAL A 12 -3.605 6.114 13.918 1.00 0.00 O ATOM 35 CB VAL A 12 -4.206 6.341 16.936 1.00 0.00 C ATOM 36 CG1 VAL A 12 -2.792 5.920 17.306 1.00 0.00 C ATOM 37 CG2 VAL A 12 -4.935 6.868 18.186 1.00 0.00 C ATOM 0 H VAL A 12 -5.918 6.697 14.926 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.781 8.348 16.254 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.765 5.486 16.556 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.831 5.161 18.087 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.292 5.512 16.428 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.238 6.786 17.669 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.963 6.088 18.947 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.405 7.737 18.577 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.953 7.153 17.920 1.00 0.00 H new ATOM 47 N PRO A 13 -2.015 7.446 14.690 1.00 0.00 N ATOM 48 CA PRO A 13 -1.015 7.077 13.653 1.00 0.00 C ATOM 49 C PRO A 13 -0.296 5.786 14.034 1.00 0.00 C ATOM 50 O PRO A 13 -0.256 5.395 15.184 1.00 0.00 O ATOM 51 CB PRO A 13 -0.063 8.264 13.655 1.00 0.00 C ATOM 52 CG PRO A 13 -0.180 8.930 15.025 1.00 0.00 C ATOM 53 CD PRO A 13 -1.489 8.452 15.667 1.00 0.00 C ATOM 0 HA PRO A 13 -1.454 6.889 12.673 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.961 7.937 13.471 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.321 8.966 12.862 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.672 8.667 15.652 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.178 10.015 14.924 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.316 8.007 16.647 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.189 9.275 15.811 1.00 0.00 H new ATOM 61 N VAL A 14 0.264 5.120 13.069 1.00 0.00 N ATOM 62 CA VAL A 14 0.976 3.845 13.354 1.00 0.00 C ATOM 63 C VAL A 14 2.488 4.071 13.279 1.00 0.00 C ATOM 64 O VAL A 14 2.960 5.071 12.773 1.00 0.00 O ATOM 65 CB VAL A 14 0.547 2.794 12.322 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.582 1.674 12.240 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.802 2.197 12.733 1.00 0.00 C ATOM 0 H VAL A 14 0.260 5.404 12.089 1.00 0.00 H new ATOM 0 HA VAL A 14 0.724 3.495 14.355 1.00 0.00 H new ATOM 0 HB VAL A 14 0.463 3.275 11.348 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.263 0.937 11.503 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.545 2.090 11.943 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.678 1.195 13.215 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.108 1.450 12.000 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.709 1.728 13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.551 2.988 12.779 1.00 0.00 H new ATOM 77 N ASP A 15 3.246 3.140 13.786 1.00 0.00 N ATOM 78 CA ASP A 15 4.732 3.266 13.764 1.00 0.00 C ATOM 79 C ASP A 15 5.313 2.076 13.011 1.00 0.00 C ATOM 80 O ASP A 15 4.599 1.301 12.406 1.00 0.00 O ATOM 81 CB ASP A 15 5.276 3.280 15.202 1.00 0.00 C ATOM 82 CG ASP A 15 4.146 3.561 16.196 1.00 0.00 C ATOM 83 OD1 ASP A 15 3.283 2.711 16.338 1.00 0.00 O ATOM 84 OD2 ASP A 15 4.163 4.623 16.797 1.00 0.00 O ATOM 0 H ASP A 15 2.896 2.286 14.220 1.00 0.00 H new ATOM 0 HA ASP A 15 5.015 4.195 13.270 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.741 2.321 15.431 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.051 4.041 15.297 1.00 0.00 H new ATOM 89 N GLU A 16 6.602 1.928 13.042 1.00 0.00 N ATOM 90 CA GLU A 16 7.248 0.786 12.330 1.00 0.00 C ATOM 91 C GLU A 16 7.157 -0.488 13.187 1.00 0.00 C ATOM 92 O GLU A 16 8.079 -1.277 13.239 1.00 0.00 O ATOM 93 CB GLU A 16 8.718 1.117 12.068 1.00 0.00 C ATOM 94 CG GLU A 16 8.824 2.047 10.858 1.00 0.00 C ATOM 95 CD GLU A 16 9.902 1.527 9.907 1.00 0.00 C ATOM 96 OE1 GLU A 16 9.637 0.559 9.213 1.00 0.00 O ATOM 97 OE2 GLU A 16 10.977 2.105 9.889 1.00 0.00 O ATOM 0 H GLU A 16 7.245 2.550 13.532 1.00 0.00 H new ATOM 0 HA GLU A 16 6.733 0.618 11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.157 1.593 12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.281 0.202 11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.865 2.101 10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.068 3.058 11.184 1.00 0.00 H new ATOM 104 N ASN A 17 6.052 -0.694 13.853 1.00 0.00 N ATOM 105 CA ASN A 17 5.891 -1.908 14.700 1.00 0.00 C ATOM 106 C ASN A 17 4.395 -2.233 14.810 1.00 0.00 C ATOM 107 O ASN A 17 3.887 -2.496 15.881 1.00 0.00 O ATOM 108 CB ASN A 17 6.457 -1.634 16.095 1.00 0.00 C ATOM 109 CG ASN A 17 7.970 -1.420 15.998 1.00 0.00 C ATOM 110 OD1 ASN A 17 8.424 -0.347 15.655 1.00 0.00 O ATOM 111 ND2 ASN A 17 8.775 -2.404 16.291 1.00 0.00 N ATOM 0 H ASN A 17 5.248 -0.066 13.845 1.00 0.00 H new ATOM 0 HA ASN A 17 6.424 -2.748 14.255 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.981 -0.753 16.526 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.239 -2.471 16.759 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.785 -2.272 16.232 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.395 -3.306 16.579 1.00 0.00 H new ATOM 118 N ASP A 18 3.684 -2.205 13.710 1.00 0.00 N ATOM 119 CA ASP A 18 2.227 -2.500 13.752 1.00 0.00 C ATOM 120 C ASP A 18 1.895 -3.535 12.684 1.00 0.00 C ATOM 121 O ASP A 18 1.368 -3.217 11.638 1.00 0.00 O ATOM 122 CB ASP A 18 1.438 -1.216 13.484 1.00 0.00 C ATOM 123 CG ASP A 18 1.206 -0.475 14.802 1.00 0.00 C ATOM 124 OD1 ASP A 18 1.949 -0.725 15.737 1.00 0.00 O ATOM 125 OD2 ASP A 18 0.291 0.330 14.854 1.00 0.00 O ATOM 0 H ASP A 18 4.055 -1.990 12.785 1.00 0.00 H new ATOM 0 HA ASP A 18 1.959 -2.889 14.734 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.984 -0.579 12.788 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.483 -1.454 13.016 1.00 0.00 H new ATOM 130 N GLU A 19 2.210 -4.771 12.948 1.00 0.00 N ATOM 131 CA GLU A 19 1.929 -5.858 11.963 1.00 0.00 C ATOM 132 C GLU A 19 0.588 -5.597 11.270 1.00 0.00 C ATOM 133 O GLU A 19 0.389 -5.968 10.132 1.00 0.00 O ATOM 134 CB GLU A 19 1.872 -7.202 12.691 1.00 0.00 C ATOM 135 CG GLU A 19 0.824 -7.135 13.804 1.00 0.00 C ATOM 136 CD GLU A 19 0.343 -8.547 14.141 1.00 0.00 C ATOM 137 OE1 GLU A 19 1.003 -9.489 13.733 1.00 0.00 O ATOM 138 OE2 GLU A 19 -0.677 -8.664 14.801 1.00 0.00 O ATOM 0 H GLU A 19 2.655 -5.080 13.812 1.00 0.00 H new ATOM 0 HA GLU A 19 2.722 -5.879 11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.622 -7.998 11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.849 -7.442 13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.249 -6.664 14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.018 -6.519 13.488 1.00 0.00 H new ATOM 145 N GLY A 20 -0.327 -4.954 11.943 1.00 0.00 N ATOM 146 CA GLY A 20 -1.644 -4.664 11.309 1.00 0.00 C ATOM 147 C GLY A 20 -1.429 -3.688 10.150 1.00 0.00 C ATOM 148 O GLY A 20 -1.799 -3.954 9.023 1.00 0.00 O ATOM 0 H GLY A 20 -0.220 -4.618 12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.100 -5.586 10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.329 -4.236 12.041 1.00 0.00 H new ATOM 152 N LEU A 21 -0.822 -2.564 10.419 1.00 0.00 N ATOM 153 CA LEU A 21 -0.566 -1.573 9.335 1.00 0.00 C ATOM 154 C LEU A 21 0.269 -2.235 8.240 1.00 0.00 C ATOM 155 O LEU A 21 0.116 -1.943 7.071 1.00 0.00 O ATOM 156 CB LEU A 21 0.195 -0.380 9.911 1.00 0.00 C ATOM 157 CG LEU A 21 0.560 0.586 8.783 1.00 0.00 C ATOM 158 CD1 LEU A 21 -0.259 1.870 8.927 1.00 0.00 C ATOM 159 CD2 LEU A 21 2.052 0.922 8.860 1.00 0.00 C ATOM 0 H LEU A 21 -0.492 -2.289 11.344 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.512 -1.229 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.416 0.129 10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.098 -0.721 10.418 1.00 0.00 H new ATOM 0 HG LEU A 21 0.342 0.121 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.001 2.559 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.321 1.632 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.041 2.335 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.312 1.610 8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.271 1.387 9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.637 0.008 8.758 1.00 0.00 H new ATOM 171 N GLN A 22 1.146 -3.132 8.606 1.00 0.00 N ATOM 172 CA GLN A 22 1.977 -3.812 7.575 1.00 0.00 C ATOM 173 C GLN A 22 1.065 -4.618 6.658 1.00 0.00 C ATOM 174 O GLN A 22 1.207 -4.599 5.454 1.00 0.00 O ATOM 175 CB GLN A 22 2.989 -4.736 8.253 1.00 0.00 C ATOM 176 CG GLN A 22 4.003 -3.896 9.032 1.00 0.00 C ATOM 177 CD GLN A 22 4.478 -4.674 10.261 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.138 -4.335 11.377 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.252 -5.711 10.102 1.00 0.00 N ATOM 0 H GLN A 22 1.321 -3.421 9.569 1.00 0.00 H new ATOM 0 HA GLN A 22 2.520 -3.070 6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.476 -5.423 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.501 -5.343 7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.852 -3.649 8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.550 -2.953 9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.537 -5.996 9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.572 -6.238 10.915 1.00 0.00 H new ATOM 188 N ARG A 23 0.115 -5.308 7.216 1.00 0.00 N ATOM 189 CA ARG A 23 -0.825 -6.090 6.370 1.00 0.00 C ATOM 190 C ARG A 23 -1.675 -5.101 5.569 1.00 0.00 C ATOM 191 O ARG A 23 -2.320 -5.454 4.601 1.00 0.00 O ATOM 192 CB ARG A 23 -1.730 -6.948 7.256 1.00 0.00 C ATOM 193 CG ARG A 23 -1.280 -8.409 7.183 1.00 0.00 C ATOM 194 CD ARG A 23 -1.973 -9.211 8.284 1.00 0.00 C ATOM 195 NE ARG A 23 -1.218 -9.055 9.560 1.00 0.00 N ATOM 196 CZ ARG A 23 -1.388 -9.915 10.527 1.00 0.00 C ATOM 197 NH1 ARG A 23 -2.556 -10.035 11.096 1.00 0.00 N ATOM 198 NH2 ARG A 23 -0.388 -10.656 10.924 1.00 0.00 N ATOM 0 H ARG A 23 -0.052 -5.365 8.221 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.272 -6.747 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.689 -6.595 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.766 -6.859 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.523 -8.827 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.198 -8.474 7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.999 -8.865 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.024 -10.263 8.005 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.569 -8.277 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.337 -9.457 10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.689 -10.707 11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.525 -10.562 10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.520 -11.328 11.680 1.00 0.00 H new ATOM 212 N ALA A 24 -1.666 -3.857 5.970 1.00 0.00 N ATOM 213 CA ALA A 24 -2.453 -2.820 5.249 1.00 0.00 C ATOM 214 C ALA A 24 -1.717 -2.439 3.974 1.00 0.00 C ATOM 215 O ALA A 24 -2.256 -2.511 2.883 1.00 0.00 O ATOM 216 CB ALA A 24 -2.606 -1.585 6.139 1.00 0.00 C ATOM 0 H ALA A 24 -1.141 -3.514 6.775 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.440 -3.210 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.182 -0.825 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.124 -1.860 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.621 -1.188 6.383 1.00 0.00 H new ATOM 222 N LEU A 25 -0.486 -2.038 4.097 1.00 0.00 N ATOM 223 CA LEU A 25 0.283 -1.659 2.902 1.00 0.00 C ATOM 224 C LEU A 25 0.428 -2.868 1.986 1.00 0.00 C ATOM 225 O LEU A 25 0.295 -2.773 0.792 1.00 0.00 O ATOM 226 CB LEU A 25 1.649 -1.179 3.370 1.00 0.00 C ATOM 227 CG LEU A 25 2.554 -0.872 2.169 1.00 0.00 C ATOM 228 CD1 LEU A 25 3.114 -2.178 1.603 1.00 0.00 C ATOM 229 CD2 LEU A 25 1.752 -0.146 1.085 1.00 0.00 C ATOM 0 H LEU A 25 0.016 -1.959 4.981 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.221 -0.869 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.536 -0.286 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.113 -1.941 3.997 1.00 0.00 H new ATOM 0 HG LEU A 25 3.376 -0.234 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.757 -1.959 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.693 -2.689 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.292 -2.818 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.400 0.069 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.925 -0.777 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.359 0.788 1.487 1.00 0.00 H new ATOM 241 N GLN A 26 0.703 -4.002 2.532 1.00 0.00 N ATOM 242 CA GLN A 26 0.868 -5.212 1.677 1.00 0.00 C ATOM 243 C GLN A 26 -0.464 -5.597 1.024 1.00 0.00 C ATOM 244 O GLN A 26 -0.493 -6.241 -0.006 1.00 0.00 O ATOM 245 CB GLN A 26 1.376 -6.378 2.526 1.00 0.00 C ATOM 246 CG GLN A 26 2.733 -6.015 3.130 1.00 0.00 C ATOM 247 CD GLN A 26 3.802 -6.976 2.603 1.00 0.00 C ATOM 248 OE1 GLN A 26 4.516 -7.589 3.370 1.00 0.00 O ATOM 249 NE2 GLN A 26 3.941 -7.134 1.314 1.00 0.00 N ATOM 0 H GLN A 26 0.823 -4.155 3.533 1.00 0.00 H new ATOM 0 HA GLN A 26 1.591 -4.987 0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.662 -6.603 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.467 -7.275 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.994 -4.988 2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.685 -6.069 4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.341 -6.619 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.649 -7.772 0.952 1.00 0.00 H new ATOM 258 N PHE A 27 -1.565 -5.213 1.605 1.00 0.00 N ATOM 259 CA PHE A 27 -2.885 -5.564 1.006 1.00 0.00 C ATOM 260 C PHE A 27 -3.135 -4.701 -0.226 1.00 0.00 C ATOM 261 O PHE A 27 -3.350 -5.184 -1.327 1.00 0.00 O ATOM 262 CB PHE A 27 -3.960 -5.281 2.040 1.00 0.00 C ATOM 263 CG PHE A 27 -5.286 -5.884 1.646 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.420 -6.615 0.460 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.395 -5.696 2.481 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.664 -7.156 0.112 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.634 -6.238 2.135 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.771 -6.966 0.951 1.00 0.00 C ATOM 0 H PHE A 27 -1.610 -4.672 2.468 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.899 -6.614 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.651 -5.681 3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.072 -4.204 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.566 -6.761 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.291 -5.130 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.771 -7.720 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.486 -6.094 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.730 -7.383 0.682 1.00 0.00 H new ATOM 278 N ALA A 28 -3.100 -3.423 -0.041 1.00 0.00 N ATOM 279 CA ALA A 28 -3.336 -2.493 -1.175 1.00 0.00 C ATOM 280 C ALA A 28 -2.143 -2.516 -2.122 1.00 0.00 C ATOM 281 O ALA A 28 -2.283 -2.766 -3.296 1.00 0.00 O ATOM 282 CB ALA A 28 -3.521 -1.090 -0.626 1.00 0.00 C ATOM 0 H ALA A 28 -2.916 -2.972 0.855 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.227 -2.801 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.695 -0.397 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.376 -1.073 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.624 -0.791 -0.083 1.00 0.00 H new ATOM 288 N ILE A 29 -0.971 -2.262 -1.626 1.00 0.00 N ATOM 289 CA ILE A 29 0.220 -2.290 -2.513 1.00 0.00 C ATOM 290 C ILE A 29 0.183 -3.582 -3.310 1.00 0.00 C ATOM 291 O ILE A 29 0.418 -3.609 -4.500 1.00 0.00 O ATOM 292 CB ILE A 29 1.491 -2.201 -1.654 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.449 -1.220 -2.294 1.00 0.00 C ATOM 294 CG2 ILE A 29 2.168 -3.557 -1.520 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.673 0.050 -2.562 1.00 0.00 C ATOM 0 H ILE A 29 -0.784 -2.037 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 29 0.219 -1.445 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 29 1.211 -1.865 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.295 -1.023 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.854 -1.626 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.063 -3.458 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.482 -4.261 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.444 -3.925 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.329 0.787 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.841 -0.167 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.288 0.447 -1.622 1.00 0.00 H new ATOM 307 N ALA A 30 -0.134 -4.654 -2.653 1.00 0.00 N ATOM 308 CA ALA A 30 -0.222 -5.948 -3.368 1.00 0.00 C ATOM 309 C ALA A 30 -1.099 -5.721 -4.594 1.00 0.00 C ATOM 310 O ALA A 30 -0.769 -6.115 -5.696 1.00 0.00 O ATOM 311 CB ALA A 30 -0.865 -7.000 -2.460 1.00 0.00 C ATOM 0 H ALA A 30 -0.336 -4.691 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 30 0.768 -6.303 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.927 -7.950 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.259 -7.125 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.867 -6.675 -2.179 1.00 0.00 H new ATOM 317 N GLU A 31 -2.215 -5.067 -4.406 1.00 0.00 N ATOM 318 CA GLU A 31 -3.112 -4.795 -5.560 1.00 0.00 C ATOM 319 C GLU A 31 -2.425 -3.857 -6.559 1.00 0.00 C ATOM 320 O GLU A 31 -2.652 -3.951 -7.748 1.00 0.00 O ATOM 321 CB GLU A 31 -4.445 -4.201 -5.071 1.00 0.00 C ATOM 322 CG GLU A 31 -4.368 -2.671 -4.982 1.00 0.00 C ATOM 323 CD GLU A 31 -5.136 -2.053 -6.154 1.00 0.00 C ATOM 324 OE1 GLU A 31 -6.354 -2.091 -6.124 1.00 0.00 O ATOM 325 OE2 GLU A 31 -4.489 -1.551 -7.059 1.00 0.00 O ATOM 0 H GLU A 31 -2.540 -4.712 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.326 -5.734 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.246 -4.489 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.694 -4.613 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.789 -2.329 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.328 -2.347 -5.003 1.00 0.00 H new ATOM 332 N TYR A 32 -1.582 -2.960 -6.111 1.00 0.00 N ATOM 333 CA TYR A 32 -0.908 -2.062 -7.087 1.00 0.00 C ATOM 334 C TYR A 32 -0.074 -2.913 -8.048 1.00 0.00 C ATOM 335 O TYR A 32 -0.165 -2.784 -9.255 1.00 0.00 O ATOM 336 CB TYR A 32 -0.003 -1.092 -6.342 1.00 0.00 C ATOM 337 CG TYR A 32 0.289 0.098 -7.205 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.752 0.865 -7.734 1.00 0.00 C ATOM 339 CD2 TYR A 32 1.611 0.454 -7.453 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.464 1.977 -8.508 1.00 0.00 C ATOM 341 CE2 TYR A 32 1.904 1.563 -8.220 1.00 0.00 C ATOM 342 CZ TYR A 32 0.870 2.336 -8.756 1.00 0.00 C ATOM 343 OH TYR A 32 1.160 3.444 -9.526 1.00 0.00 O ATOM 0 H TYR A 32 -1.337 -2.815 -5.131 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.652 -1.496 -7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.482 -0.772 -5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.927 -1.588 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.779 0.592 -7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.413 -0.142 -7.043 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.267 2.569 -8.921 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.933 1.834 -8.406 1.00 0.00 H new ATOM 0 HH TYR A 32 0.425 3.608 -10.153 1.00 0.00 H new ATOM 353 N ASN A 33 0.732 -3.793 -7.515 1.00 0.00 N ATOM 354 CA ASN A 33 1.570 -4.666 -8.382 1.00 0.00 C ATOM 355 C ASN A 33 0.668 -5.459 -9.330 1.00 0.00 C ATOM 356 O ASN A 33 0.870 -5.470 -10.527 1.00 0.00 O ATOM 357 CB ASN A 33 2.371 -5.634 -7.509 1.00 0.00 C ATOM 358 CG ASN A 33 3.221 -6.542 -8.402 1.00 0.00 C ATOM 359 OD1 ASN A 33 2.767 -6.998 -9.432 1.00 0.00 O ATOM 360 ND2 ASN A 33 4.445 -6.823 -8.049 1.00 0.00 N ATOM 0 H ASN A 33 0.845 -3.944 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 33 2.256 -4.050 -8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.011 -5.078 -6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.696 -6.234 -6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.020 -7.425 -8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.827 -6.440 -7.184 1.00 0.00 H new ATOM 367 N ARG A 34 -0.329 -6.125 -8.807 1.00 0.00 N ATOM 368 CA ARG A 34 -1.236 -6.908 -9.693 1.00 0.00 C ATOM 369 C ARG A 34 -2.016 -5.947 -10.588 1.00 0.00 C ATOM 370 O ARG A 34 -2.616 -6.341 -11.569 1.00 0.00 O ATOM 371 CB ARG A 34 -2.212 -7.723 -8.839 1.00 0.00 C ATOM 372 CG ARG A 34 -3.334 -8.268 -9.724 1.00 0.00 C ATOM 373 CD ARG A 34 -4.486 -7.262 -9.766 1.00 0.00 C ATOM 374 NE ARG A 34 -5.630 -7.782 -8.966 1.00 0.00 N ATOM 375 CZ ARG A 34 -5.436 -8.201 -7.746 1.00 0.00 C ATOM 376 NH1 ARG A 34 -5.178 -7.343 -6.796 1.00 0.00 N ATOM 377 NH2 ARG A 34 -5.500 -9.475 -7.474 1.00 0.00 N ATOM 0 H ARG A 34 -0.552 -6.160 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.648 -7.587 -10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.687 -8.545 -8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.629 -7.099 -8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.960 -8.451 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.686 -9.224 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.158 -6.301 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.797 -7.092 -10.797 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.565 -7.810 -9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.128 -6.347 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.026 -7.669 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.702 -10.145 -8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.348 -9.801 -6.520 1.00 0.00 H new ATOM 391 N ALA A 35 -2.016 -4.688 -10.255 1.00 0.00 N ATOM 392 CA ALA A 35 -2.759 -3.694 -11.080 1.00 0.00 C ATOM 393 C ALA A 35 -1.929 -3.310 -12.306 1.00 0.00 C ATOM 394 O ALA A 35 -2.445 -2.795 -13.278 1.00 0.00 O ATOM 395 CB ALA A 35 -3.044 -2.446 -10.243 1.00 0.00 C ATOM 0 H ALA A 35 -1.532 -4.302 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.700 -4.134 -11.409 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.587 -1.719 -10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.645 -2.719 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.103 -2.009 -9.909 1.00 0.00 H new ATOM 401 N SER A 36 -0.652 -3.560 -12.273 1.00 0.00 N ATOM 402 CA SER A 36 0.205 -3.213 -13.442 1.00 0.00 C ATOM 403 C SER A 36 0.248 -4.400 -14.406 1.00 0.00 C ATOM 404 O SER A 36 0.563 -4.257 -15.571 1.00 0.00 O ATOM 405 CB SER A 36 1.623 -2.894 -12.961 1.00 0.00 C ATOM 406 OG SER A 36 2.529 -3.006 -14.049 1.00 0.00 O ATOM 0 H SER A 36 -0.163 -3.990 -11.488 1.00 0.00 H new ATOM 0 HA SER A 36 -0.208 -2.342 -13.952 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.660 -1.887 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.910 -3.578 -12.163 1.00 0.00 H new ATOM 0 HG SER A 36 3.247 -3.630 -13.814 1.00 0.00 H new ATOM 412 N ASN A 37 -0.071 -5.573 -13.928 1.00 0.00 N ATOM 413 CA ASN A 37 -0.055 -6.771 -14.815 1.00 0.00 C ATOM 414 C ASN A 37 1.393 -7.214 -15.057 1.00 0.00 C ATOM 415 O ASN A 37 2.297 -6.815 -14.349 1.00 0.00 O ATOM 416 CB ASN A 37 -0.714 -6.426 -16.151 1.00 0.00 C ATOM 417 CG ASN A 37 -1.878 -5.461 -15.912 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.707 -5.693 -15.055 1.00 0.00 O ATOM 419 ND2 ASN A 37 -1.974 -4.381 -16.638 1.00 0.00 N ATOM 0 H ASN A 37 -0.342 -5.753 -12.961 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.605 -7.582 -14.337 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.016 -5.973 -16.822 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.074 -7.333 -16.636 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.745 -3.731 -16.486 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.278 -4.187 -17.358 1.00 0.00 H new ATOM 426 N ASP A 38 1.622 -8.037 -16.048 1.00 0.00 N ATOM 427 CA ASP A 38 2.995 -8.504 -16.331 1.00 0.00 C ATOM 428 C ASP A 38 3.810 -7.372 -16.961 1.00 0.00 C ATOM 429 O ASP A 38 5.007 -7.478 -17.138 1.00 0.00 O ATOM 430 CB ASP A 38 2.884 -9.666 -17.305 1.00 0.00 C ATOM 431 CG ASP A 38 4.278 -10.168 -17.682 1.00 0.00 C ATOM 432 OD1 ASP A 38 4.893 -9.559 -18.541 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.707 -11.153 -17.105 1.00 0.00 O ATOM 0 H ASP A 38 0.905 -8.404 -16.674 1.00 0.00 H new ATOM 0 HA ASP A 38 3.496 -8.814 -15.414 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.307 -10.474 -16.855 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.348 -9.351 -18.200 1.00 0.00 H new ATOM 438 N LYS A 39 3.168 -6.288 -17.300 1.00 0.00 N ATOM 439 CA LYS A 39 3.903 -5.147 -17.916 1.00 0.00 C ATOM 440 C LYS A 39 5.128 -4.813 -17.071 1.00 0.00 C ATOM 441 O LYS A 39 6.222 -4.672 -17.579 1.00 0.00 O ATOM 442 CB LYS A 39 2.985 -3.925 -17.992 1.00 0.00 C ATOM 443 CG LYS A 39 1.850 -4.200 -18.981 1.00 0.00 C ATOM 444 CD LYS A 39 1.831 -3.107 -20.052 1.00 0.00 C ATOM 445 CE LYS A 39 0.607 -3.295 -20.951 1.00 0.00 C ATOM 446 NZ LYS A 39 0.538 -2.180 -21.938 1.00 0.00 N ATOM 0 H LYS A 39 2.166 -6.143 -17.177 1.00 0.00 H new ATOM 0 HA LYS A 39 4.221 -5.423 -18.921 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.577 -3.702 -17.006 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.553 -3.050 -18.308 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.986 -5.177 -19.445 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.895 -4.227 -18.457 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.803 -2.124 -19.583 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.743 -3.150 -20.647 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.668 -4.251 -21.471 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.300 -3.317 -20.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.294 -2.308 -22.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.461 -1.274 -21.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.399 -2.179 -22.521 1.00 0.00 H new ATOM 460 N TYR A 40 4.961 -4.673 -15.787 1.00 0.00 N ATOM 461 CA TYR A 40 6.123 -4.340 -14.935 1.00 0.00 C ATOM 462 C TYR A 40 5.785 -4.549 -13.469 1.00 0.00 C ATOM 463 O TYR A 40 4.714 -5.009 -13.125 1.00 0.00 O ATOM 464 CB TYR A 40 6.504 -2.892 -15.167 1.00 0.00 C ATOM 465 CG TYR A 40 7.690 -2.842 -16.089 1.00 0.00 C ATOM 466 CD1 TYR A 40 8.739 -3.750 -15.923 1.00 0.00 C ATOM 467 CD2 TYR A 40 7.732 -1.900 -17.116 1.00 0.00 C ATOM 468 CE1 TYR A 40 9.833 -3.716 -16.784 1.00 0.00 C ATOM 469 CE2 TYR A 40 8.828 -1.862 -17.980 1.00 0.00 C ATOM 470 CZ TYR A 40 9.883 -2.771 -17.815 1.00 0.00 C ATOM 471 OH TYR A 40 10.965 -2.736 -18.671 1.00 0.00 O ATOM 0 H TYR A 40 4.072 -4.775 -15.297 1.00 0.00 H new ATOM 0 HA TYR A 40 6.956 -4.993 -15.195 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.666 -2.347 -15.601 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.742 -2.409 -14.220 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.701 -4.479 -15.127 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.918 -1.201 -17.243 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.643 -4.419 -16.656 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.863 -1.132 -18.776 1.00 0.00 H new ATOM 0 HH TYR A 40 10.839 -2.021 -19.329 1.00 0.00 H new ATOM 481 N SER A 41 6.696 -4.220 -12.591 1.00 0.00 N ATOM 482 CA SER A 41 6.405 -4.418 -11.142 1.00 0.00 C ATOM 483 C SER A 41 6.114 -3.064 -10.483 1.00 0.00 C ATOM 484 O SER A 41 6.647 -2.046 -10.874 1.00 0.00 O ATOM 485 CB SER A 41 7.595 -5.103 -10.468 1.00 0.00 C ATOM 486 OG SER A 41 7.477 -4.981 -9.057 1.00 0.00 O ATOM 0 H SER A 41 7.613 -3.830 -12.809 1.00 0.00 H new ATOM 0 HA SER A 41 5.527 -5.054 -11.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.630 -6.155 -10.751 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.527 -4.651 -10.806 1.00 0.00 H new ATOM 0 HG SER A 41 6.896 -5.692 -8.715 1.00 0.00 H new ATOM 492 N SER A 42 5.253 -3.046 -9.499 1.00 0.00 N ATOM 493 CA SER A 42 4.906 -1.759 -8.827 1.00 0.00 C ATOM 494 C SER A 42 5.301 -1.818 -7.347 1.00 0.00 C ATOM 495 O SER A 42 5.335 -2.877 -6.752 1.00 0.00 O ATOM 496 CB SER A 42 3.399 -1.528 -8.944 1.00 0.00 C ATOM 497 OG SER A 42 3.161 -0.247 -9.508 1.00 0.00 O ATOM 0 H SER A 42 4.775 -3.868 -9.131 1.00 0.00 H new ATOM 0 HA SER A 42 5.446 -0.942 -9.305 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.949 -2.301 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.932 -1.598 -7.962 1.00 0.00 H new ATOM 0 HG SER A 42 2.499 0.231 -8.966 1.00 0.00 H new ATOM 503 N ARG A 43 5.602 -0.694 -6.739 1.00 0.00 N ATOM 504 CA ARG A 43 5.994 -0.730 -5.291 1.00 0.00 C ATOM 505 C ARG A 43 5.936 0.669 -4.647 1.00 0.00 C ATOM 506 O ARG A 43 5.581 1.646 -5.272 1.00 0.00 O ATOM 507 CB ARG A 43 7.415 -1.281 -5.170 1.00 0.00 C ATOM 508 CG ARG A 43 7.388 -2.591 -4.376 1.00 0.00 C ATOM 509 CD ARG A 43 8.782 -2.884 -3.821 1.00 0.00 C ATOM 510 NE ARG A 43 8.659 -3.597 -2.518 1.00 0.00 N ATOM 511 CZ ARG A 43 9.152 -3.063 -1.434 1.00 0.00 C ATOM 512 NH1 ARG A 43 10.446 -2.984 -1.276 1.00 0.00 N ATOM 513 NH2 ARG A 43 8.353 -2.610 -0.509 1.00 0.00 N ATOM 0 H ARG A 43 5.594 0.230 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 43 5.286 -1.371 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.836 -1.452 -6.161 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.057 -0.555 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.669 -2.519 -3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.061 -3.410 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.346 -3.492 -4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.335 -1.954 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 43 8.190 -4.502 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.071 -3.340 -2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.832 -2.567 -0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.342 -2.673 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.738 -2.193 0.338 1.00 0.00 H new ATOM 527 N VAL A 44 6.291 0.745 -3.383 1.00 0.00 N ATOM 528 CA VAL A 44 6.279 2.047 -2.635 1.00 0.00 C ATOM 529 C VAL A 44 7.208 3.052 -3.294 1.00 0.00 C ATOM 530 O VAL A 44 7.642 2.876 -4.414 1.00 0.00 O ATOM 531 CB VAL A 44 6.700 1.784 -1.187 1.00 0.00 C ATOM 532 CG1 VAL A 44 8.222 1.873 -1.050 1.00 0.00 C ATOM 533 CG2 VAL A 44 6.030 2.815 -0.279 1.00 0.00 C ATOM 0 H VAL A 44 6.594 -0.056 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 44 5.275 2.470 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 44 6.388 0.781 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.506 1.684 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.690 1.130 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.556 2.869 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.324 2.635 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.340 3.817 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.947 2.729 -0.368 1.00 0.00 H new ATOM 543 N VAL A 45 7.476 4.134 -2.622 1.00 0.00 N ATOM 544 CA VAL A 45 8.332 5.171 -3.233 1.00 0.00 C ATOM 545 C VAL A 45 8.378 6.388 -2.314 1.00 0.00 C ATOM 546 O VAL A 45 9.418 6.772 -1.817 1.00 0.00 O ATOM 547 CB VAL A 45 7.705 5.477 -4.599 1.00 0.00 C ATOM 548 CG1 VAL A 45 7.521 6.957 -4.882 1.00 0.00 C ATOM 549 CG2 VAL A 45 8.607 4.933 -5.647 1.00 0.00 C ATOM 0 H VAL A 45 7.139 4.340 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 45 9.366 4.853 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 45 6.714 5.023 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.072 7.086 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.868 7.394 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.490 7.456 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.185 5.136 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.586 5.406 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.713 3.856 -5.513 1.00 0.00 H new ATOM 559 N ARG A 46 7.255 6.978 -2.075 1.00 0.00 N ATOM 560 CA ARG A 46 7.208 8.163 -1.169 1.00 0.00 C ATOM 561 C ARG A 46 5.945 8.096 -0.303 1.00 0.00 C ATOM 562 O ARG A 46 4.928 8.673 -0.625 1.00 0.00 O ATOM 563 CB ARG A 46 7.200 9.451 -1.997 1.00 0.00 C ATOM 564 CG ARG A 46 8.387 10.327 -1.590 1.00 0.00 C ATOM 565 CD ARG A 46 8.018 11.800 -1.763 1.00 0.00 C ATOM 566 NE ARG A 46 8.121 12.497 -0.449 1.00 0.00 N ATOM 567 CZ ARG A 46 7.038 12.822 0.204 1.00 0.00 C ATOM 568 NH1 ARG A 46 6.163 11.905 0.516 1.00 0.00 N ATOM 569 NH2 ARG A 46 6.830 14.065 0.543 1.00 0.00 N ATOM 0 H ARG A 46 6.356 6.696 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 46 8.088 8.159 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.257 9.213 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.266 9.990 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.660 10.129 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.257 10.085 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.682 12.269 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.005 11.888 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 46 9.037 12.720 -0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.325 10.934 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.317 12.160 1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.513 14.782 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.984 14.320 1.053 1.00 0.00 H new ATOM 583 N VAL A 47 6.007 7.398 0.802 1.00 0.00 N ATOM 584 CA VAL A 47 4.820 7.297 1.695 1.00 0.00 C ATOM 585 C VAL A 47 4.388 8.701 2.118 1.00 0.00 C ATOM 586 O VAL A 47 5.170 9.631 2.109 1.00 0.00 O ATOM 587 CB VAL A 47 5.195 6.452 2.907 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.353 6.843 4.120 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.966 4.975 2.584 1.00 0.00 C ATOM 0 H VAL A 47 6.833 6.893 1.123 1.00 0.00 H new ATOM 0 HA VAL A 47 3.986 6.823 1.177 1.00 0.00 H new ATOM 0 HB VAL A 47 6.245 6.625 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.637 6.228 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.523 7.893 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.298 6.688 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.233 4.368 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.916 4.815 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.585 4.688 1.734 1.00 0.00 H new ATOM 599 N ILE A 48 3.142 8.868 2.466 1.00 0.00 N ATOM 600 CA ILE A 48 2.660 10.208 2.861 1.00 0.00 C ATOM 601 C ILE A 48 1.835 10.091 4.142 1.00 0.00 C ATOM 602 O ILE A 48 1.842 10.971 4.978 1.00 0.00 O ATOM 603 CB ILE A 48 1.779 10.723 1.731 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.655 11.262 0.602 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.852 11.834 2.233 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.016 10.901 -0.739 1.00 0.00 C ATOM 0 H ILE A 48 2.440 8.128 2.492 1.00 0.00 H new ATOM 0 HA ILE A 48 3.494 10.887 3.041 1.00 0.00 H new ATOM 0 HB ILE A 48 1.169 9.898 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.760 12.343 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.657 10.838 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.231 12.189 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.215 11.445 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.450 12.660 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.635 11.282 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.934 9.817 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.023 11.346 -0.800 1.00 0.00 H new ATOM 618 N SER A 49 1.113 9.016 4.293 1.00 0.00 N ATOM 619 CA SER A 49 0.278 8.866 5.517 1.00 0.00 C ATOM 620 C SER A 49 0.058 7.390 5.845 1.00 0.00 C ATOM 621 O SER A 49 0.225 6.514 5.022 1.00 0.00 O ATOM 622 CB SER A 49 -1.077 9.538 5.288 1.00 0.00 C ATOM 623 OG SER A 49 -1.519 10.134 6.499 1.00 0.00 O ATOM 0 H SER A 49 1.065 8.243 3.630 1.00 0.00 H new ATOM 0 HA SER A 49 0.796 9.336 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.993 10.294 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.806 8.804 4.944 1.00 0.00 H new ATOM 0 HG SER A 49 -2.386 10.566 6.353 1.00 0.00 H new ATOM 629 N ALA A 50 -0.326 7.132 7.059 1.00 0.00 N ATOM 630 CA ALA A 50 -0.585 5.736 7.508 1.00 0.00 C ATOM 631 C ALA A 50 -1.223 5.806 8.900 1.00 0.00 C ATOM 632 O ALA A 50 -0.542 5.982 9.890 1.00 0.00 O ATOM 633 CB ALA A 50 0.732 4.966 7.591 1.00 0.00 C ATOM 0 H ALA A 50 -0.475 7.843 7.775 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.244 5.226 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.537 3.945 7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.205 4.947 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.396 5.456 8.303 1.00 0.00 H new ATOM 639 N LYS A 51 -2.523 5.702 8.988 1.00 0.00 N ATOM 640 CA LYS A 51 -3.178 5.799 10.324 1.00 0.00 C ATOM 641 C LYS A 51 -4.325 4.802 10.431 1.00 0.00 C ATOM 642 O LYS A 51 -4.808 4.270 9.445 1.00 0.00 O ATOM 643 CB LYS A 51 -3.721 7.216 10.519 1.00 0.00 C ATOM 644 CG LYS A 51 -2.559 8.210 10.544 1.00 0.00 C ATOM 645 CD LYS A 51 -2.916 9.436 9.701 1.00 0.00 C ATOM 646 CE LYS A 51 -2.366 10.696 10.373 1.00 0.00 C ATOM 647 NZ LYS A 51 -0.888 10.745 10.198 1.00 0.00 N ATOM 0 H LYS A 51 -3.154 5.555 8.200 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.441 5.571 11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.410 7.467 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.284 7.276 11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.346 8.511 11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.656 7.739 10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.500 9.335 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.998 9.512 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.824 11.584 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.618 10.695 11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.513 11.601 10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.459 9.904 10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.659 10.765 9.184 1.00 0.00 H new ATOM 661 N ARG A 52 -4.759 4.549 11.631 1.00 0.00 N ATOM 662 CA ARG A 52 -5.876 3.579 11.842 1.00 0.00 C ATOM 663 C ARG A 52 -6.990 4.239 12.666 1.00 0.00 C ATOM 664 O ARG A 52 -7.022 4.126 13.874 1.00 0.00 O ATOM 665 CB ARG A 52 -5.369 2.338 12.608 1.00 0.00 C ATOM 666 CG ARG A 52 -3.853 2.415 12.817 1.00 0.00 C ATOM 667 CD ARG A 52 -3.374 1.162 13.552 1.00 0.00 C ATOM 668 NE ARG A 52 -2.861 1.540 14.899 1.00 0.00 N ATOM 669 CZ ARG A 52 -3.654 2.110 15.763 1.00 0.00 C ATOM 670 NH1 ARG A 52 -4.673 1.451 16.247 1.00 0.00 N ATOM 671 NH2 ARG A 52 -3.431 3.338 16.144 1.00 0.00 N ATOM 0 H ARG A 52 -4.389 4.972 12.482 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.259 3.278 10.867 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.871 2.269 13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.620 1.434 12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.347 2.501 11.856 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.599 3.306 13.392 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.193 0.450 13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.590 0.669 12.978 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.889 1.353 15.145 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.848 0.491 15.949 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.294 1.896 16.923 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.636 3.853 15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.052 3.783 16.820 1.00 0.00 H new ATOM 685 N GLN A 53 -7.917 4.914 12.030 1.00 0.00 N ATOM 686 CA GLN A 53 -9.024 5.552 12.801 1.00 0.00 C ATOM 687 C GLN A 53 -9.616 4.512 13.753 1.00 0.00 C ATOM 688 O GLN A 53 -9.579 3.328 13.481 1.00 0.00 O ATOM 689 CB GLN A 53 -10.112 6.043 11.845 1.00 0.00 C ATOM 690 CG GLN A 53 -10.185 7.571 11.893 1.00 0.00 C ATOM 691 CD GLN A 53 -11.610 8.025 11.572 1.00 0.00 C ATOM 692 OE1 GLN A 53 -12.554 7.290 11.777 1.00 0.00 O ATOM 693 NE2 GLN A 53 -11.807 9.217 11.080 1.00 0.00 N ATOM 0 H GLN A 53 -7.953 5.049 11.020 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.638 6.403 13.363 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.895 5.711 10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.075 5.614 12.122 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.892 7.929 12.880 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.485 8.002 11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.014 9.835 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.754 9.531 10.868 1.00 0.00 H new ATOM 702 N LEU A 54 -10.143 4.924 14.873 1.00 0.00 N ATOM 703 CA LEU A 54 -10.701 3.923 15.826 1.00 0.00 C ATOM 704 C LEU A 54 -12.210 4.113 16.018 1.00 0.00 C ATOM 705 O LEU A 54 -12.650 4.793 16.923 1.00 0.00 O ATOM 706 CB LEU A 54 -10.001 4.069 17.179 1.00 0.00 C ATOM 707 CG LEU A 54 -8.578 3.513 17.081 1.00 0.00 C ATOM 708 CD1 LEU A 54 -7.579 4.595 17.496 1.00 0.00 C ATOM 709 CD2 LEU A 54 -8.438 2.307 18.010 1.00 0.00 C ATOM 0 H LEU A 54 -10.211 5.898 15.168 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.531 2.929 15.413 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.973 5.118 17.475 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.559 3.535 17.948 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.377 3.207 16.055 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.565 4.200 17.427 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.679 5.456 16.835 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.780 4.901 18.523 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.425 1.910 17.941 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.639 2.613 19.037 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.150 1.536 17.716 1.00 0.00 H new ATOM 721 N VAL A 55 -13.002 3.477 15.200 1.00 0.00 N ATOM 722 CA VAL A 55 -14.480 3.571 15.352 1.00 0.00 C ATOM 723 C VAL A 55 -14.984 2.146 15.586 1.00 0.00 C ATOM 724 O VAL A 55 -14.236 1.312 16.058 1.00 0.00 O ATOM 725 CB VAL A 55 -15.089 4.170 14.077 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.226 3.094 12.994 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.466 4.757 14.393 1.00 0.00 C ATOM 0 H VAL A 55 -12.685 2.892 14.427 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.764 4.216 16.184 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.431 4.957 13.710 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.659 3.535 12.096 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.243 2.686 12.760 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.874 2.295 13.355 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.897 5.182 13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.119 3.970 14.771 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.364 5.538 15.147 1.00 0.00 H new ATOM 737 N SER A 56 -16.215 1.836 15.264 1.00 0.00 N ATOM 738 CA SER A 56 -16.686 0.430 15.478 1.00 0.00 C ATOM 739 C SER A 56 -15.579 -0.534 15.040 1.00 0.00 C ATOM 740 O SER A 56 -15.441 -1.619 15.559 1.00 0.00 O ATOM 741 CB SER A 56 -17.943 0.157 14.639 1.00 0.00 C ATOM 742 OG SER A 56 -17.606 0.208 13.260 1.00 0.00 O ATOM 0 H SER A 56 -16.902 2.479 14.871 1.00 0.00 H new ATOM 0 HA SER A 56 -16.922 0.288 16.533 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.356 -0.820 14.889 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.713 0.895 14.865 1.00 0.00 H new ATOM 0 HG SER A 56 -18.406 0.033 12.721 1.00 0.00 H new ATOM 748 N GLY A 57 -14.776 -0.117 14.104 1.00 0.00 N ATOM 749 CA GLY A 57 -13.651 -0.959 13.622 1.00 0.00 C ATOM 750 C GLY A 57 -12.505 -0.002 13.255 1.00 0.00 C ATOM 751 O GLY A 57 -12.703 1.197 13.239 1.00 0.00 O ATOM 0 H GLY A 57 -14.855 0.790 13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.336 -1.661 14.394 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.953 -1.550 12.757 1.00 0.00 H new ATOM 755 N ILE A 58 -11.314 -0.469 12.967 1.00 0.00 N ATOM 756 CA ILE A 58 -10.249 0.512 12.626 1.00 0.00 C ATOM 757 C ILE A 58 -10.269 0.821 11.138 1.00 0.00 C ATOM 758 O ILE A 58 -10.406 -0.054 10.314 1.00 0.00 O ATOM 759 CB ILE A 58 -8.881 -0.049 12.964 1.00 0.00 C ATOM 760 CG1 ILE A 58 -8.814 -0.352 14.446 1.00 0.00 C ATOM 761 CG2 ILE A 58 -7.814 0.974 12.612 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.184 -1.807 14.625 1.00 0.00 C ATOM 0 H ILE A 58 -11.043 -1.452 12.954 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.438 1.417 13.203 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.712 -0.963 12.395 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.813 -0.160 14.833 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.499 0.290 15.001 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.830 0.572 12.855 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.862 1.198 11.546 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.983 1.887 13.182 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.147 -2.064 15.684 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.192 -1.975 14.246 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.480 -2.432 14.075 1.00 0.00 H new ATOM 774 N LYS A 59 -10.072 2.047 10.779 1.00 0.00 N ATOM 775 CA LYS A 59 -10.015 2.370 9.334 1.00 0.00 C ATOM 776 C LYS A 59 -8.564 2.650 9.018 1.00 0.00 C ATOM 777 O LYS A 59 -7.902 3.421 9.675 1.00 0.00 O ATOM 778 CB LYS A 59 -10.868 3.589 8.996 1.00 0.00 C ATOM 779 CG LYS A 59 -11.940 3.791 10.070 1.00 0.00 C ATOM 780 CD LYS A 59 -13.140 4.522 9.464 1.00 0.00 C ATOM 781 CE LYS A 59 -12.707 5.909 8.988 1.00 0.00 C ATOM 782 NZ LYS A 59 -13.817 6.540 8.217 1.00 0.00 N ATOM 0 H LYS A 59 -9.949 2.836 11.414 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.407 1.541 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.238 4.476 8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.338 3.456 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.253 2.827 10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.533 4.366 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.544 3.949 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.936 4.612 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.443 6.532 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.816 5.829 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.522 7.483 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.048 5.948 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.656 6.629 8.826 1.00 0.00 H new ATOM 796 N TYR A 60 -8.070 1.998 8.035 1.00 0.00 N ATOM 797 CA TYR A 60 -6.641 2.161 7.666 1.00 0.00 C ATOM 798 C TYR A 60 -6.514 3.192 6.551 1.00 0.00 C ATOM 799 O TYR A 60 -6.620 2.871 5.387 1.00 0.00 O ATOM 800 CB TYR A 60 -6.100 0.823 7.183 1.00 0.00 C ATOM 801 CG TYR A 60 -5.760 -0.088 8.361 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.146 0.247 9.675 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.054 -1.282 8.136 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.823 -0.608 10.737 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.736 -2.128 9.201 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.119 -1.792 10.501 1.00 0.00 C ATOM 807 OH TYR A 60 -4.805 -2.630 11.551 1.00 0.00 O ATOM 0 H TYR A 60 -8.593 1.344 7.453 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.074 2.499 8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.838 0.337 6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.210 0.985 6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.690 1.161 9.863 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.755 -1.547 7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.120 -0.351 11.743 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.193 -3.044 9.019 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.316 -3.409 11.213 1.00 0.00 H new ATOM 817 N ILE A 61 -6.273 4.429 6.879 1.00 0.00 N ATOM 818 CA ILE A 61 -6.137 5.434 5.806 1.00 0.00 C ATOM 819 C ILE A 61 -4.659 5.599 5.509 1.00 0.00 C ATOM 820 O ILE A 61 -3.877 5.994 6.346 1.00 0.00 O ATOM 821 CB ILE A 61 -6.673 6.768 6.251 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.609 6.608 7.454 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.424 7.439 5.097 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.679 5.560 7.133 1.00 0.00 C ATOM 0 H ILE A 61 -6.166 4.779 7.831 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.694 5.101 4.931 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.831 7.393 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.040 6.305 8.333 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.079 7.562 7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.809 8.404 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.744 7.587 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.253 6.804 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.345 5.446 7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.255 5.882 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.200 4.605 6.916 1.00 0.00 H new ATOM 836 N LEU A 62 -4.277 5.240 4.347 1.00 0.00 N ATOM 837 CA LEU A 62 -2.882 5.281 3.959 1.00 0.00 C ATOM 838 C LEU A 62 -2.679 6.092 2.692 1.00 0.00 C ATOM 839 O LEU A 62 -3.539 6.171 1.838 1.00 0.00 O ATOM 840 CB LEU A 62 -2.557 3.858 3.664 1.00 0.00 C ATOM 841 CG LEU A 62 -1.117 3.562 3.970 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.952 2.066 3.893 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.244 4.225 2.929 1.00 0.00 C ATOM 0 H LEU A 62 -4.907 4.905 3.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.264 5.736 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.200 3.204 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.761 3.644 2.615 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.833 3.934 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.083 1.803 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.607 1.590 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.212 1.722 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.803 4.014 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.496 3.837 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.409 5.302 2.948 1.00 0.00 H new ATOM 855 N GLN A 63 -1.516 6.624 2.535 1.00 0.00 N ATOM 856 CA GLN A 63 -1.188 7.347 1.304 1.00 0.00 C ATOM 857 C GLN A 63 0.028 6.652 0.769 1.00 0.00 C ATOM 858 O GLN A 63 0.774 6.056 1.514 1.00 0.00 O ATOM 859 CB GLN A 63 -0.844 8.787 1.587 1.00 0.00 C ATOM 860 CG GLN A 63 -2.031 9.500 2.230 1.00 0.00 C ATOM 861 CD GLN A 63 -3.236 9.432 1.290 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.078 9.332 0.089 1.00 0.00 O ATOM 863 NE2 GLN A 63 -4.441 9.481 1.786 1.00 0.00 N ATOM 0 H GLN A 63 -0.765 6.586 3.224 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.029 7.349 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.021 8.838 2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.567 9.290 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.275 9.035 3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.776 10.539 2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.575 9.565 2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.250 9.435 1.166 1.00 0.00 H new ATOM 872 N VAL A 64 0.263 6.722 -0.482 1.00 0.00 N ATOM 873 CA VAL A 64 1.470 6.022 -0.989 1.00 0.00 C ATOM 874 C VAL A 64 1.912 6.536 -2.349 1.00 0.00 C ATOM 875 O VAL A 64 1.345 6.195 -3.368 1.00 0.00 O ATOM 876 CB VAL A 64 1.239 4.484 -1.095 1.00 0.00 C ATOM 877 CG1 VAL A 64 0.853 3.909 0.262 1.00 0.00 C ATOM 878 CG2 VAL A 64 0.128 4.164 -2.089 1.00 0.00 C ATOM 0 H VAL A 64 -0.301 7.215 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 64 2.255 6.229 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 64 2.172 4.037 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.695 2.834 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.652 4.099 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.065 4.382 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.012 3.084 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.799 4.634 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.400 4.544 -3.074 1.00 0.00 H new ATOM 888 N GLU A 65 2.973 7.288 -2.383 1.00 0.00 N ATOM 889 CA GLU A 65 3.500 7.726 -3.694 1.00 0.00 C ATOM 890 C GLU A 65 4.079 6.460 -4.308 1.00 0.00 C ATOM 891 O GLU A 65 5.215 6.115 -4.082 1.00 0.00 O ATOM 892 CB GLU A 65 4.594 8.773 -3.500 1.00 0.00 C ATOM 893 CG GLU A 65 3.986 10.042 -2.894 1.00 0.00 C ATOM 894 CD GLU A 65 4.265 11.235 -3.811 1.00 0.00 C ATOM 895 OE1 GLU A 65 5.365 11.759 -3.748 1.00 0.00 O ATOM 896 OE2 GLU A 65 3.375 11.603 -4.558 1.00 0.00 O ATOM 0 H GLU A 65 3.491 7.614 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 65 2.736 8.182 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.374 8.383 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.065 9.003 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.911 9.915 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.409 10.224 -1.906 1.00 0.00 H new ATOM 903 N ILE A 66 3.281 5.735 -5.030 1.00 0.00 N ATOM 904 CA ILE A 66 3.751 4.437 -5.612 1.00 0.00 C ATOM 905 C ILE A 66 4.502 4.694 -6.910 1.00 0.00 C ATOM 906 O ILE A 66 4.091 5.479 -7.742 1.00 0.00 O ATOM 907 CB ILE A 66 2.536 3.546 -5.953 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.277 4.026 -5.209 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.815 2.089 -5.592 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.142 2.995 -5.343 1.00 0.00 C ATOM 0 H ILE A 66 2.315 5.980 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 66 4.397 3.949 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 66 2.363 3.621 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.509 4.185 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.953 4.986 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.946 1.480 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.679 1.734 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.019 2.011 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.739 3.353 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.102 2.857 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.462 2.044 -4.917 1.00 0.00 H new ATOM 922 N GLY A 67 5.574 4.000 -7.097 1.00 0.00 N ATOM 923 CA GLY A 67 6.350 4.144 -8.351 1.00 0.00 C ATOM 924 C GLY A 67 6.449 2.750 -9.020 1.00 0.00 C ATOM 925 O GLY A 67 5.695 1.849 -8.679 1.00 0.00 O ATOM 0 H GLY A 67 5.954 3.330 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.863 4.853 -9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.345 4.536 -8.140 1.00 0.00 H new ATOM 929 N ARG A 68 7.358 2.541 -9.955 1.00 0.00 N ATOM 930 CA ARG A 68 7.442 1.196 -10.601 1.00 0.00 C ATOM 931 C ARG A 68 8.789 0.524 -10.319 1.00 0.00 C ATOM 932 O ARG A 68 9.610 1.019 -9.576 1.00 0.00 O ATOM 933 CB ARG A 68 7.281 1.352 -12.115 1.00 0.00 C ATOM 934 CG ARG A 68 5.900 1.933 -12.427 1.00 0.00 C ATOM 935 CD ARG A 68 5.645 1.866 -13.933 1.00 0.00 C ATOM 936 NE ARG A 68 4.185 1.995 -14.198 1.00 0.00 N ATOM 937 CZ ARG A 68 3.717 1.793 -15.398 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.534 1.717 -16.414 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.433 1.663 -15.585 1.00 0.00 N ATOM 0 H ARG A 68 8.029 3.233 -10.288 1.00 0.00 H new ATOM 0 HA ARG A 68 6.648 0.573 -10.189 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.059 2.006 -12.508 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.399 0.386 -12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.131 1.376 -11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.843 2.966 -12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.189 2.663 -14.440 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.016 0.922 -14.333 1.00 0.00 H new ATOM 0 HE ARG A 68 3.550 2.242 -13.439 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.539 1.816 -16.269 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.167 1.559 -17.353 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.794 1.719 -14.792 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.068 1.505 -16.524 1.00 0.00 H new ATOM 953 N THR A 69 9.004 -0.607 -10.935 1.00 0.00 N ATOM 954 CA THR A 69 10.267 -1.368 -10.773 1.00 0.00 C ATOM 955 C THR A 69 10.360 -2.332 -11.953 1.00 0.00 C ATOM 956 O THR A 69 9.777 -3.396 -11.938 1.00 0.00 O ATOM 957 CB THR A 69 10.267 -2.099 -9.433 1.00 0.00 C ATOM 958 OG1 THR A 69 11.446 -2.884 -9.320 1.00 0.00 O ATOM 959 CG2 THR A 69 9.042 -2.992 -9.293 1.00 0.00 C ATOM 0 H THR A 69 8.331 -1.045 -11.564 1.00 0.00 H new ATOM 0 HA THR A 69 11.137 -0.711 -10.768 1.00 0.00 H new ATOM 0 HB THR A 69 10.239 -1.355 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.446 -3.352 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.070 -3.499 -8.329 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.139 -2.384 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.038 -3.733 -10.093 1.00 0.00 H new ATOM 967 N THR A 70 11.043 -1.902 -13.000 1.00 0.00 N ATOM 968 CA THR A 70 11.175 -2.709 -14.264 1.00 0.00 C ATOM 969 C THR A 70 11.103 -4.228 -13.994 1.00 0.00 C ATOM 970 O THR A 70 10.079 -4.729 -13.584 1.00 0.00 O ATOM 971 CB THR A 70 12.495 -2.343 -14.970 1.00 0.00 C ATOM 972 OG1 THR A 70 12.692 -3.208 -16.081 1.00 0.00 O ATOM 973 CG2 THR A 70 13.680 -2.467 -14.003 1.00 0.00 C ATOM 0 H THR A 70 11.525 -1.003 -13.028 1.00 0.00 H new ATOM 0 HA THR A 70 10.333 -2.464 -14.912 1.00 0.00 H new ATOM 0 HB THR A 70 12.435 -1.310 -15.312 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.899 -3.188 -16.656 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.602 -2.204 -14.522 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.533 -1.793 -13.159 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.748 -3.493 -13.640 1.00 0.00 H new ATOM 981 N CYS A 71 12.166 -4.972 -14.236 1.00 0.00 N ATOM 982 CA CYS A 71 12.129 -6.450 -13.997 1.00 0.00 C ATOM 983 C CYS A 71 10.712 -6.990 -14.251 1.00 0.00 C ATOM 984 O CYS A 71 9.948 -7.186 -13.325 1.00 0.00 O ATOM 985 CB CYS A 71 12.561 -6.709 -12.550 1.00 0.00 C ATOM 986 SG CYS A 71 12.007 -8.337 -11.979 1.00 0.00 S ATOM 0 H CYS A 71 13.054 -4.615 -14.588 1.00 0.00 H new ATOM 0 HA CYS A 71 12.806 -6.964 -14.679 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.647 -6.645 -12.475 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.151 -5.935 -11.902 1.00 0.00 H new ATOM 991 N PRO A 72 10.401 -7.201 -15.502 1.00 0.00 N ATOM 992 CA PRO A 72 9.069 -7.712 -15.935 1.00 0.00 C ATOM 993 C PRO A 72 9.007 -9.239 -15.746 1.00 0.00 C ATOM 994 O PRO A 72 9.906 -9.823 -15.175 1.00 0.00 O ATOM 995 CB PRO A 72 9.020 -7.328 -17.411 1.00 0.00 C ATOM 996 CG PRO A 72 10.462 -7.183 -17.883 1.00 0.00 C ATOM 997 CD PRO A 72 11.337 -6.961 -16.646 1.00 0.00 C ATOM 0 HA PRO A 72 8.230 -7.306 -15.369 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.500 -8.090 -17.991 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.474 -6.395 -17.549 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.780 -8.076 -18.421 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.556 -6.345 -18.573 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.181 -7.650 -16.624 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.748 -5.952 -16.622 1.00 0.00 H new ATOM 1005 N LYS A 73 7.960 -9.890 -16.211 1.00 0.00 N ATOM 1006 CA LYS A 73 7.856 -11.373 -16.049 1.00 0.00 C ATOM 1007 C LYS A 73 7.313 -11.715 -14.650 1.00 0.00 C ATOM 1008 O LYS A 73 6.714 -12.754 -14.462 1.00 0.00 O ATOM 1009 CB LYS A 73 9.236 -12.015 -16.231 1.00 0.00 C ATOM 1010 CG LYS A 73 9.067 -13.450 -16.736 1.00 0.00 C ATOM 1011 CD LYS A 73 10.431 -14.012 -17.145 1.00 0.00 C ATOM 1012 CE LYS A 73 10.530 -14.052 -18.671 1.00 0.00 C ATOM 1013 NZ LYS A 73 10.482 -15.467 -19.136 1.00 0.00 N ATOM 0 H LYS A 73 7.175 -9.454 -16.695 1.00 0.00 H new ATOM 0 HA LYS A 73 7.173 -11.761 -16.804 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.828 -11.436 -16.940 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.778 -12.012 -15.285 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.625 -14.071 -15.957 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.384 -13.470 -17.585 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.229 -13.393 -16.734 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.561 -15.014 -16.735 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.711 -13.485 -19.114 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.457 -13.582 -18.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.549 -15.494 -20.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.277 -15.995 -18.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.586 -15.901 -18.836 1.00 0.00 H new ATOM 1027 N SER A 74 7.518 -10.856 -13.672 1.00 0.00 N ATOM 1028 CA SER A 74 7.014 -11.140 -12.293 1.00 0.00 C ATOM 1029 C SER A 74 8.009 -12.046 -11.556 1.00 0.00 C ATOM 1030 O SER A 74 8.330 -11.817 -10.408 1.00 0.00 O ATOM 1031 CB SER A 74 5.649 -11.831 -12.365 1.00 0.00 C ATOM 1032 OG SER A 74 5.828 -13.238 -12.300 1.00 0.00 O ATOM 0 H SER A 74 8.014 -9.971 -13.775 1.00 0.00 H new ATOM 0 HA SER A 74 6.910 -10.199 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.016 -11.496 -11.544 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.141 -11.560 -13.290 1.00 0.00 H new ATOM 0 HG SER A 74 6.106 -13.573 -13.178 1.00 0.00 H new ATOM 1038 N SER A 75 8.504 -13.072 -12.203 1.00 0.00 N ATOM 1039 CA SER A 75 9.478 -13.976 -11.528 1.00 0.00 C ATOM 1040 C SER A 75 8.947 -14.392 -10.151 1.00 0.00 C ATOM 1041 O SER A 75 9.698 -14.796 -9.288 1.00 0.00 O ATOM 1042 CB SER A 75 10.811 -13.246 -11.354 1.00 0.00 C ATOM 1043 OG SER A 75 11.807 -14.170 -10.939 1.00 0.00 O ATOM 0 H SER A 75 8.275 -13.320 -13.166 1.00 0.00 H new ATOM 0 HA SER A 75 9.619 -14.867 -12.141 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.105 -12.775 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.708 -12.450 -10.616 1.00 0.00 H new ATOM 0 HG SER A 75 11.448 -14.740 -10.227 1.00 0.00 H new ATOM 1049 N GLY A 76 7.660 -14.306 -9.939 1.00 0.00 N ATOM 1050 CA GLY A 76 7.098 -14.704 -8.616 1.00 0.00 C ATOM 1051 C GLY A 76 7.576 -13.726 -7.540 1.00 0.00 C ATOM 1052 O GLY A 76 6.908 -12.764 -7.221 1.00 0.00 O ATOM 0 H GLY A 76 6.977 -13.979 -10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.009 -14.709 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.412 -15.717 -8.366 1.00 0.00 H new ATOM 1056 N ASP A 77 8.731 -13.964 -6.974 1.00 0.00 N ATOM 1057 CA ASP A 77 9.247 -13.046 -5.919 1.00 0.00 C ATOM 1058 C ASP A 77 10.011 -11.892 -6.572 1.00 0.00 C ATOM 1059 O ASP A 77 10.769 -11.194 -5.928 1.00 0.00 O ATOM 1060 CB ASP A 77 10.185 -13.816 -4.985 1.00 0.00 C ATOM 1061 CG ASP A 77 9.413 -14.949 -4.306 1.00 0.00 C ATOM 1062 OD1 ASP A 77 8.816 -15.740 -5.014 1.00 0.00 O ATOM 1063 OD2 ASP A 77 9.433 -15.004 -3.087 1.00 0.00 O ATOM 0 H ASP A 77 9.337 -14.753 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 77 8.410 -12.647 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.025 -14.221 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.600 -13.144 -4.234 1.00 0.00 H new ATOM 1068 N LEU A 78 9.818 -11.686 -7.847 1.00 0.00 N ATOM 1069 CA LEU A 78 10.531 -10.577 -8.541 1.00 0.00 C ATOM 1070 C LEU A 78 12.028 -10.902 -8.623 1.00 0.00 C ATOM 1071 O LEU A 78 12.503 -11.423 -9.611 1.00 0.00 O ATOM 1072 CB LEU A 78 10.333 -9.274 -7.763 1.00 0.00 C ATOM 1073 CG LEU A 78 9.405 -8.347 -8.549 1.00 0.00 C ATOM 1074 CD1 LEU A 78 7.980 -8.903 -8.513 1.00 0.00 C ATOM 1075 CD2 LEU A 78 9.424 -6.953 -7.921 1.00 0.00 C ATOM 0 H LEU A 78 9.197 -12.239 -8.438 1.00 0.00 H new ATOM 0 HA LEU A 78 10.129 -10.462 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.908 -9.485 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.294 -8.788 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 78 9.745 -8.284 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.318 -8.243 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.966 -9.897 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.640 -8.966 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.762 -6.292 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.084 -7.015 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.439 -6.556 -7.946 1.00 0.00 H new ATOM 1087 N GLN A 79 12.782 -10.598 -7.593 1.00 0.00 N ATOM 1088 CA GLN A 79 14.242 -10.893 -7.633 1.00 0.00 C ATOM 1089 C GLN A 79 14.919 -9.988 -8.664 1.00 0.00 C ATOM 1090 O GLN A 79 14.548 -9.958 -9.819 1.00 0.00 O ATOM 1091 CB GLN A 79 14.453 -12.357 -8.024 1.00 0.00 C ATOM 1092 CG GLN A 79 15.261 -13.065 -6.936 1.00 0.00 C ATOM 1093 CD GLN A 79 16.388 -13.874 -7.582 1.00 0.00 C ATOM 1094 OE1 GLN A 79 17.499 -13.893 -7.090 1.00 0.00 O ATOM 1095 NE2 GLN A 79 16.147 -14.549 -8.672 1.00 0.00 N ATOM 0 H GLN A 79 12.449 -10.161 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 79 14.677 -10.711 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 79 13.491 -12.851 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 79 14.977 -12.418 -8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 79 15.676 -12.334 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 79 14.613 -13.723 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.215 -14.534 -9.086 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.891 -15.092 -9.110 1.00 0.00 H new ATOM 1104 N SER A 80 15.919 -9.253 -8.254 1.00 0.00 N ATOM 1105 CA SER A 80 16.627 -8.355 -9.212 1.00 0.00 C ATOM 1106 C SER A 80 15.625 -7.421 -9.901 1.00 0.00 C ATOM 1107 O SER A 80 15.697 -7.196 -11.092 1.00 0.00 O ATOM 1108 CB SER A 80 17.333 -9.205 -10.270 1.00 0.00 C ATOM 1109 OG SER A 80 18.624 -9.568 -9.802 1.00 0.00 O ATOM 0 H SER A 80 16.275 -9.236 -7.298 1.00 0.00 H new ATOM 0 HA SER A 80 17.356 -7.755 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.747 -10.099 -10.484 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.416 -8.648 -11.203 1.00 0.00 H new ATOM 0 HG SER A 80 19.076 -10.114 -10.479 1.00 0.00 H new ATOM 1115 N CYS A 81 14.690 -6.872 -9.168 1.00 0.00 N ATOM 1116 CA CYS A 81 13.697 -5.957 -9.800 1.00 0.00 C ATOM 1117 C CYS A 81 13.832 -4.559 -9.191 1.00 0.00 C ATOM 1118 O CYS A 81 13.840 -4.398 -7.986 1.00 0.00 O ATOM 1119 CB CYS A 81 12.284 -6.500 -9.559 1.00 0.00 C ATOM 1120 SG CYS A 81 12.237 -8.265 -9.970 1.00 0.00 S ATOM 0 H CYS A 81 14.573 -7.018 -8.165 1.00 0.00 H new ATOM 0 HA CYS A 81 13.881 -5.897 -10.873 1.00 0.00 H new ATOM 0 HB2 CYS A 81 11.998 -6.350 -8.518 1.00 0.00 H new ATOM 0 HB3 CYS A 81 11.564 -5.954 -10.169 1.00 0.00 H new ATOM 1125 N GLU A 82 13.957 -3.544 -10.009 1.00 0.00 N ATOM 1126 CA GLU A 82 14.109 -2.169 -9.455 1.00 0.00 C ATOM 1127 C GLU A 82 13.387 -1.135 -10.330 1.00 0.00 C ATOM 1128 O GLU A 82 12.971 -1.405 -11.441 1.00 0.00 O ATOM 1129 CB GLU A 82 15.596 -1.819 -9.381 1.00 0.00 C ATOM 1130 CG GLU A 82 15.888 -1.111 -8.056 1.00 0.00 C ATOM 1131 CD GLU A 82 16.024 -2.151 -6.942 1.00 0.00 C ATOM 1132 OE1 GLU A 82 15.002 -2.580 -6.432 1.00 0.00 O ATOM 1133 OE2 GLU A 82 17.147 -2.499 -6.616 1.00 0.00 O ATOM 0 H GLU A 82 13.960 -3.609 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 82 13.664 -2.146 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.198 -2.724 -9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.871 -1.177 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.805 -0.527 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.085 -0.412 -7.820 1.00 0.00 H new ATOM 1140 N PHE A 83 13.247 0.054 -9.812 1.00 0.00 N ATOM 1141 CA PHE A 83 12.567 1.158 -10.547 1.00 0.00 C ATOM 1142 C PHE A 83 13.165 1.334 -11.946 1.00 0.00 C ATOM 1143 O PHE A 83 12.794 0.644 -12.876 1.00 0.00 O ATOM 1144 CB PHE A 83 12.718 2.410 -9.726 1.00 0.00 C ATOM 1145 CG PHE A 83 11.592 2.409 -8.726 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.449 1.333 -7.834 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.680 3.457 -8.705 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.389 1.315 -6.921 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.621 3.439 -7.801 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.470 2.369 -6.904 1.00 0.00 C ATOM 0 H PHE A 83 13.585 0.313 -8.885 1.00 0.00 H new ATOM 0 HA PHE A 83 11.511 0.928 -10.687 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.684 2.428 -9.221 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.673 3.296 -10.359 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.158 0.519 -7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.792 4.285 -9.389 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.281 0.490 -6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.911 4.253 -7.790 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.648 2.360 -6.204 1.00 0.00 H new ATOM 1160 N HIS A 84 14.085 2.242 -12.113 1.00 0.00 N ATOM 1161 CA HIS A 84 14.693 2.440 -13.459 1.00 0.00 C ATOM 1162 C HIS A 84 16.194 2.630 -13.289 1.00 0.00 C ATOM 1163 O HIS A 84 16.750 3.658 -13.620 1.00 0.00 O ATOM 1164 CB HIS A 84 14.085 3.679 -14.124 1.00 0.00 C ATOM 1165 CG HIS A 84 12.588 3.541 -14.166 1.00 0.00 C ATOM 1166 ND1 HIS A 84 11.655 3.360 -13.175 1.00 0.00 N flip ATOM 1167 CD2 HIS A 84 11.874 3.585 -15.354 1.00 0.00 C flip ATOM 1168 CE1 HIS A 84 10.383 3.292 -13.736 1.00 0.00 C flip ATOM 1169 NE2 HIS A 84 10.572 3.432 -15.051 1.00 0.00 N flip ATOM 0 H HIS A 84 14.442 2.854 -11.379 1.00 0.00 H new ATOM 0 HA HIS A 84 14.497 1.572 -14.089 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.363 4.576 -13.570 1.00 0.00 H new ATOM 0 HB3 HIS A 84 14.479 3.793 -15.134 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.288 3.718 -16.343 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.445 3.155 -13.219 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.821 3.424 -15.741 1.00 0.00 H new ATOM 1177 N ASP A 85 16.849 1.640 -12.757 1.00 0.00 N ATOM 1178 CA ASP A 85 18.315 1.746 -12.536 1.00 0.00 C ATOM 1179 C ASP A 85 18.605 3.016 -11.731 1.00 0.00 C ATOM 1180 O ASP A 85 19.716 3.505 -11.705 1.00 0.00 O ATOM 1181 CB ASP A 85 19.034 1.819 -13.885 1.00 0.00 C ATOM 1182 CG ASP A 85 20.438 1.227 -13.748 1.00 0.00 C ATOM 1183 OD1 ASP A 85 20.537 0.072 -13.366 1.00 0.00 O ATOM 1184 OD2 ASP A 85 21.389 1.936 -14.030 1.00 0.00 O ATOM 0 H ASP A 85 16.430 0.757 -12.464 1.00 0.00 H new ATOM 0 HA ASP A 85 18.670 0.872 -11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.469 1.272 -14.640 1.00 0.00 H new ATOM 0 HB3 ASP A 85 19.096 2.854 -14.221 1.00 0.00 H new ATOM 1189 N GLU A 86 17.602 3.549 -11.074 1.00 0.00 N ATOM 1190 CA GLU A 86 17.781 4.790 -10.263 1.00 0.00 C ATOM 1191 C GLU A 86 16.425 5.490 -10.127 1.00 0.00 C ATOM 1192 O GLU A 86 15.549 5.305 -10.950 1.00 0.00 O ATOM 1193 CB GLU A 86 18.764 5.736 -10.958 1.00 0.00 C ATOM 1194 CG GLU A 86 18.466 5.773 -12.459 1.00 0.00 C ATOM 1195 CD GLU A 86 18.727 7.181 -12.997 1.00 0.00 C ATOM 1196 OE1 GLU A 86 19.448 7.918 -12.348 1.00 0.00 O ATOM 1197 OE2 GLU A 86 18.201 7.498 -14.052 1.00 0.00 O ATOM 0 H GLU A 86 16.655 3.170 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 86 18.173 4.526 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.681 6.737 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.788 5.402 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.092 5.050 -12.983 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.430 5.489 -12.642 1.00 0.00 H new ATOM 1204 N PRO A 87 16.293 6.277 -9.092 1.00 0.00 N ATOM 1205 CA PRO A 87 15.048 7.044 -8.796 1.00 0.00 C ATOM 1206 C PRO A 87 15.034 8.361 -9.575 1.00 0.00 C ATOM 1207 O PRO A 87 13.992 8.944 -9.822 1.00 0.00 O ATOM 1208 CB PRO A 87 15.159 7.302 -7.299 1.00 0.00 C ATOM 1209 CG PRO A 87 16.642 7.235 -6.941 1.00 0.00 C ATOM 1210 CD PRO A 87 17.368 6.506 -8.078 1.00 0.00 C ATOM 0 HA PRO A 87 14.135 6.519 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.745 8.278 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.593 6.559 -6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.049 8.238 -6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.783 6.708 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.181 7.107 -8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.805 5.567 -7.738 1.00 0.00 H new ATOM 1218 N GLU A 88 16.206 8.810 -9.943 1.00 0.00 N ATOM 1219 CA GLU A 88 16.384 10.092 -10.695 1.00 0.00 C ATOM 1220 C GLU A 88 15.125 10.487 -11.462 1.00 0.00 C ATOM 1221 O GLU A 88 14.762 11.647 -11.504 1.00 0.00 O ATOM 1222 CB GLU A 88 17.542 9.935 -11.683 1.00 0.00 C ATOM 1223 CG GLU A 88 18.117 11.314 -12.015 1.00 0.00 C ATOM 1224 CD GLU A 88 19.625 11.313 -11.760 1.00 0.00 C ATOM 1225 OE1 GLU A 88 20.259 10.320 -12.077 1.00 0.00 O ATOM 1226 OE2 GLU A 88 20.121 12.305 -11.250 1.00 0.00 O ATOM 0 H GLU A 88 17.080 8.323 -9.746 1.00 0.00 H new ATOM 0 HA GLU A 88 16.594 10.878 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.317 9.299 -11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.195 9.445 -12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.914 11.563 -13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.635 12.077 -11.405 1.00 0.00 H new ATOM 1233 N LEU A 89 14.456 9.560 -12.080 1.00 0.00 N ATOM 1234 CA LEU A 89 13.237 9.943 -12.841 1.00 0.00 C ATOM 1235 C LEU A 89 12.366 8.719 -13.116 1.00 0.00 C ATOM 1236 O LEU A 89 11.914 8.518 -14.225 1.00 0.00 O ATOM 1237 CB LEU A 89 13.657 10.568 -14.174 1.00 0.00 C ATOM 1238 CG LEU A 89 14.911 9.863 -14.695 1.00 0.00 C ATOM 1239 CD1 LEU A 89 14.639 8.362 -14.811 1.00 0.00 C ATOM 1240 CD2 LEU A 89 15.277 10.420 -16.071 1.00 0.00 C ATOM 0 H LEU A 89 14.694 8.568 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 89 12.663 10.657 -12.250 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.849 10.479 -14.900 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.853 11.632 -14.043 1.00 0.00 H new ATOM 0 HG LEU A 89 15.736 10.033 -14.003 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.531 7.858 -15.182 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.378 7.963 -13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.814 8.194 -15.503 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.170 9.917 -16.441 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.452 10.251 -16.763 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.470 11.490 -15.991 1.00 0.00 H new ATOM 1252 N ALA A 90 12.108 7.896 -12.131 1.00 0.00 N ATOM 1253 CA ALA A 90 11.246 6.707 -12.410 1.00 0.00 C ATOM 1254 C ALA A 90 9.773 7.095 -12.278 1.00 0.00 C ATOM 1255 O ALA A 90 8.904 6.255 -12.176 1.00 0.00 O ATOM 1256 CB ALA A 90 11.552 5.577 -11.429 1.00 0.00 C ATOM 0 H ALA A 90 12.445 7.990 -11.173 1.00 0.00 H new ATOM 0 HA ALA A 90 11.453 6.364 -13.424 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.914 4.721 -11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.598 5.284 -11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.363 5.918 -10.411 1.00 0.00 H new ATOM 1262 N LYS A 91 9.504 8.367 -12.254 1.00 0.00 N ATOM 1263 CA LYS A 91 8.128 8.859 -12.089 1.00 0.00 C ATOM 1264 C LYS A 91 7.500 8.179 -10.907 1.00 0.00 C ATOM 1265 O LYS A 91 8.029 7.257 -10.328 1.00 0.00 O ATOM 1266 CB LYS A 91 7.247 8.599 -13.292 1.00 0.00 C ATOM 1267 CG LYS A 91 8.103 8.389 -14.543 1.00 0.00 C ATOM 1268 CD LYS A 91 7.192 8.172 -15.753 1.00 0.00 C ATOM 1269 CE LYS A 91 8.037 7.769 -16.963 1.00 0.00 C ATOM 1270 NZ LYS A 91 7.294 8.087 -18.215 1.00 0.00 N ATOM 0 H LYS A 91 10.207 9.101 -12.345 1.00 0.00 H new ATOM 0 HA LYS A 91 8.201 9.938 -11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.628 7.719 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.570 9.440 -13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.744 9.255 -14.708 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.758 7.528 -14.408 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.458 7.396 -15.534 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.637 9.084 -15.972 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.989 8.299 -16.948 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.264 6.704 -16.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.868 7.813 -19.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.396 7.562 -18.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.099 9.108 -18.253 1.00 0.00 H new ATOM 1284 N TYR A 92 6.383 8.673 -10.538 1.00 0.00 N ATOM 1285 CA TYR A 92 5.665 8.158 -9.377 1.00 0.00 C ATOM 1286 C TYR A 92 4.186 8.518 -9.504 1.00 0.00 C ATOM 1287 O TYR A 92 3.766 9.178 -10.433 1.00 0.00 O ATOM 1288 CB TYR A 92 6.270 8.861 -8.187 1.00 0.00 C ATOM 1289 CG TYR A 92 7.776 8.695 -8.229 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.359 7.478 -7.844 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.587 9.740 -8.695 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.748 7.311 -7.919 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.976 9.568 -8.772 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.555 8.355 -8.383 1.00 0.00 C ATOM 1295 OH TYR A 92 11.922 8.188 -8.460 1.00 0.00 O ATOM 0 H TYR A 92 5.917 9.446 -11.013 1.00 0.00 H new ATOM 0 HA TYR A 92 5.742 7.075 -9.284 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.007 9.919 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.871 8.446 -7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.737 6.670 -7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.141 10.677 -8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.196 6.375 -7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.600 10.373 -9.132 1.00 0.00 H new ATOM 0 HH TYR A 92 12.280 8.747 -9.181 1.00 0.00 H new ATOM 1305 N THR A 93 3.402 8.078 -8.574 1.00 0.00 N ATOM 1306 CA THR A 93 1.946 8.368 -8.604 1.00 0.00 C ATOM 1307 C THR A 93 1.408 8.400 -7.171 1.00 0.00 C ATOM 1308 O THR A 93 1.995 7.841 -6.264 1.00 0.00 O ATOM 1309 CB THR A 93 1.242 7.278 -9.419 1.00 0.00 C ATOM 1310 OG1 THR A 93 -0.010 7.767 -9.879 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.024 6.026 -8.564 1.00 0.00 C ATOM 0 H THR A 93 3.710 7.519 -7.778 1.00 0.00 H new ATOM 0 HA THR A 93 1.760 9.337 -9.068 1.00 0.00 H new ATOM 0 HB THR A 93 1.869 7.013 -10.270 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.461 7.071 -10.402 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.523 5.262 -9.159 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.987 5.646 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.407 6.277 -7.702 1.00 0.00 H new ATOM 1319 N THR A 94 0.302 9.057 -6.958 1.00 0.00 N ATOM 1320 CA THR A 94 -0.266 9.136 -5.582 1.00 0.00 C ATOM 1321 C THR A 94 -1.431 8.158 -5.437 1.00 0.00 C ATOM 1322 O THR A 94 -2.428 8.256 -6.125 1.00 0.00 O ATOM 1323 CB THR A 94 -0.759 10.561 -5.319 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.338 11.461 -5.389 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.397 10.638 -3.931 1.00 0.00 C ATOM 0 H THR A 94 -0.234 9.543 -7.677 1.00 0.00 H new ATOM 0 HA THR A 94 0.508 8.874 -4.860 1.00 0.00 H new ATOM 0 HB THR A 94 -1.501 10.832 -6.071 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.121 11.056 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.747 11.654 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.240 9.949 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.659 10.366 -3.176 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.312 7.212 -4.543 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.415 6.230 -4.354 1.00 0.00 C ATOM 1335 C CYS A 95 -2.872 6.237 -2.894 1.00 0.00 C ATOM 1336 O CYS A 95 -2.105 6.504 -1.989 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.915 4.836 -4.727 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.195 3.612 -4.357 1.00 0.00 S ATOM 0 H CYS A 95 -0.501 7.079 -3.939 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.256 6.502 -4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.660 4.802 -5.786 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.005 4.605 -4.173 1.00 0.00 H new ATOM 1343 N THR A 96 -4.122 5.941 -2.665 1.00 0.00 N ATOM 1344 CA THR A 96 -4.651 5.923 -1.270 1.00 0.00 C ATOM 1345 C THR A 96 -5.184 4.525 -0.949 1.00 0.00 C ATOM 1346 O THR A 96 -5.817 3.885 -1.768 1.00 0.00 O ATOM 1347 CB THR A 96 -5.799 6.932 -1.146 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.442 8.140 -1.802 1.00 0.00 O ATOM 1349 CG2 THR A 96 -6.083 7.214 0.330 1.00 0.00 C ATOM 0 H THR A 96 -4.804 5.710 -3.387 1.00 0.00 H new ATOM 0 HA THR A 96 -3.852 6.185 -0.577 1.00 0.00 H new ATOM 0 HB THR A 96 -6.694 6.518 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.715 8.576 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.899 7.931 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.363 6.287 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.190 7.625 0.800 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.944 4.053 0.243 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.440 2.712 0.638 1.00 0.00 C ATOM 1359 C PHE A 97 -6.372 2.864 1.836 1.00 0.00 C ATOM 1360 O PHE A 97 -6.051 3.526 2.795 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.270 1.819 1.049 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.307 1.619 -0.121 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.790 1.554 -1.446 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.934 1.432 0.113 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.916 1.297 -2.502 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.067 1.192 -0.947 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.547 1.116 -2.254 1.00 0.00 C ATOM 0 H PHE A 97 -4.420 4.547 0.965 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.964 2.263 -0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.741 2.268 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.645 0.853 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.841 1.704 -1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.550 1.475 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.294 1.237 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.012 1.063 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.869 0.919 -3.071 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.512 2.245 1.811 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.425 2.358 2.978 1.00 0.00 C ATOM 1379 C VAL A 98 -8.742 0.934 3.433 1.00 0.00 C ATOM 1380 O VAL A 98 -9.413 0.190 2.746 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.690 3.104 2.551 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.866 2.720 3.452 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.443 4.611 2.652 1.00 0.00 C ATOM 0 H VAL A 98 -7.852 1.669 1.041 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.975 2.915 3.800 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.932 2.833 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.759 3.259 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.045 1.647 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.633 2.979 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.342 5.148 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.195 4.871 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.616 4.889 1.998 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.215 0.523 4.552 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.438 -0.876 4.990 1.00 0.00 C ATOM 1395 C VAL A 99 -9.128 -0.951 6.351 1.00 0.00 C ATOM 1396 O VAL A 99 -8.589 -0.540 7.355 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.068 -1.575 5.054 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -6.994 -2.528 6.252 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -6.864 -2.350 3.765 1.00 0.00 C ATOM 0 H VAL A 99 -7.644 1.093 5.176 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.098 -1.369 4.276 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.286 -0.825 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.016 -3.009 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.143 -1.966 7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.770 -3.288 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.897 -2.853 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.656 -3.091 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.892 -1.663 2.919 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.283 -1.542 6.406 1.00 0.00 N ATOM 1410 CA TYR A 100 -10.947 -1.691 7.724 1.00 0.00 C ATOM 1411 C TYR A 100 -10.244 -2.830 8.464 1.00 0.00 C ATOM 1412 O TYR A 100 -9.720 -3.740 7.852 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.431 -1.998 7.545 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.202 -1.314 8.643 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.103 0.073 8.790 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.005 -2.058 9.513 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -13.809 0.722 9.805 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.712 -1.409 10.531 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.613 -0.018 10.678 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.314 0.620 11.680 1.00 0.00 O ATOM 0 H TYR A 100 -10.791 -1.924 5.608 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.876 -0.766 8.295 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.774 -1.651 6.570 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.601 -3.074 7.578 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.479 0.643 8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.079 -3.129 9.400 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -13.734 1.794 9.916 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.334 -1.980 11.204 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.087 0.075 11.936 1.00 0.00 H new ATOM 1430 N SER A 101 -10.188 -2.782 9.766 1.00 0.00 N ATOM 1431 CA SER A 101 -9.475 -3.846 10.507 1.00 0.00 C ATOM 1432 C SER A 101 -10.244 -4.144 11.810 1.00 0.00 C ATOM 1433 O SER A 101 -10.177 -3.398 12.770 1.00 0.00 O ATOM 1434 CB SER A 101 -8.055 -3.321 10.792 1.00 0.00 C ATOM 1435 OG SER A 101 -8.064 -1.904 10.749 1.00 0.00 O ATOM 0 H SER A 101 -10.606 -2.052 10.343 1.00 0.00 H new ATOM 0 HA SER A 101 -9.412 -4.775 9.940 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.717 -3.665 11.769 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.354 -3.715 10.056 1.00 0.00 H new ATOM 0 HG SER A 101 -7.142 -1.571 10.728 1.00 0.00 H new ATOM 1441 N ILE A 102 -10.994 -5.226 11.833 1.00 0.00 N ATOM 1442 CA ILE A 102 -11.789 -5.594 13.050 1.00 0.00 C ATOM 1443 C ILE A 102 -10.931 -6.513 13.943 1.00 0.00 C ATOM 1444 O ILE A 102 -10.732 -7.664 13.617 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.047 -6.351 12.608 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -13.498 -5.831 11.237 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.167 -6.130 13.627 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -14.925 -6.301 10.947 1.00 0.00 C ATOM 0 H ILE A 102 -11.088 -5.875 11.051 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.071 -4.698 13.603 1.00 0.00 H new ATOM 0 HB ILE A 102 -12.823 -7.416 12.542 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.453 -4.742 11.218 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -12.822 -6.191 10.461 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.059 -6.669 13.310 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -13.849 -6.497 14.603 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.392 -5.066 13.696 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.240 -5.929 9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -14.956 -7.391 10.947 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -15.597 -5.919 11.715 1.00 0.00 H new ATOM 1460 N PRO A 103 -10.432 -5.988 15.036 1.00 0.00 N ATOM 1461 CA PRO A 103 -9.561 -6.756 15.990 1.00 0.00 C ATOM 1462 C PRO A 103 -10.333 -7.863 16.723 1.00 0.00 C ATOM 1463 O PRO A 103 -9.902 -8.998 16.757 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.072 -5.685 16.959 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.076 -4.548 16.889 1.00 0.00 C ATOM 1466 CD PRO A 103 -10.662 -4.574 15.478 1.00 0.00 C ATOM 0 HA PRO A 103 -8.751 -7.280 15.482 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.004 -6.081 17.972 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.075 -5.340 16.684 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -10.859 -4.675 17.637 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.594 -3.592 17.091 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -11.722 -4.320 15.478 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.163 -3.861 14.822 1.00 0.00 H new ATOM 1474 N TRP A 104 -11.449 -7.558 17.328 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.195 -8.627 18.065 1.00 0.00 C ATOM 1476 C TRP A 104 -12.538 -9.802 17.132 1.00 0.00 C ATOM 1477 O TRP A 104 -12.996 -10.833 17.584 1.00 0.00 O ATOM 1478 CB TRP A 104 -13.486 -8.052 18.670 1.00 0.00 C ATOM 1479 CG TRP A 104 -14.488 -7.734 17.599 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -15.288 -8.637 16.975 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -14.833 -6.434 17.039 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.082 -7.972 16.059 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -15.837 -6.615 16.058 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.369 -5.128 17.278 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.363 -5.540 15.341 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -14.898 -4.045 16.558 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -15.892 -4.251 15.592 1.00 0.00 C ATOM 0 H TRP A 104 -11.874 -6.631 17.347 1.00 0.00 H new ATOM 0 HA TRP A 104 -11.554 -8.996 18.866 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.913 -8.769 19.371 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.256 -7.150 19.237 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.302 -9.700 17.163 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -16.766 -8.430 15.457 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.602 -4.957 18.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.129 -5.704 14.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.536 -3.046 16.750 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.293 -3.412 15.042 1.00 0.00 H new ATOM 1498 N LEU A 105 -12.361 -9.659 15.843 1.00 0.00 N ATOM 1499 CA LEU A 105 -12.718 -10.742 14.916 1.00 0.00 C ATOM 1500 C LEU A 105 -11.621 -10.922 13.863 1.00 0.00 C ATOM 1501 O LEU A 105 -11.819 -11.589 12.867 1.00 0.00 O ATOM 1502 CB LEU A 105 -13.970 -10.269 14.241 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.130 -11.257 14.366 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.055 -12.285 13.235 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -15.096 -11.976 15.719 1.00 0.00 C ATOM 0 H LEU A 105 -11.979 -8.823 15.401 1.00 0.00 H new ATOM 0 HA LEU A 105 -12.844 -11.694 15.432 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.268 -9.312 14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -13.762 -10.094 13.185 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.064 -10.700 14.296 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.883 -12.988 13.327 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.117 -11.774 12.274 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.111 -12.826 13.297 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -15.932 -12.673 15.782 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.159 -12.524 15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.173 -11.243 16.522 1.00 0.00 H new ATOM 1517 N ASN A 106 -10.469 -10.341 14.083 1.00 0.00 N ATOM 1518 CA ASN A 106 -9.351 -10.469 13.110 1.00 0.00 C ATOM 1519 C ASN A 106 -9.891 -10.526 11.682 1.00 0.00 C ATOM 1520 O ASN A 106 -9.619 -11.444 10.933 1.00 0.00 O ATOM 1521 CB ASN A 106 -8.578 -11.730 13.444 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.180 -11.659 12.828 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -6.258 -11.156 13.439 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -6.981 -12.143 11.632 1.00 0.00 N ATOM 0 H ASN A 106 -10.257 -9.778 14.906 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.693 -9.603 13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.503 -11.846 14.525 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.108 -12.604 13.065 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.053 -12.099 11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.754 -12.566 11.118 1.00 0.00 H new ATOM 1531 N GLN A 107 -10.657 -9.542 11.307 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.230 -9.508 9.934 1.00 0.00 C ATOM 1533 C GLN A 107 -10.755 -8.241 9.221 1.00 0.00 C ATOM 1534 O GLN A 107 -11.280 -7.163 9.427 1.00 0.00 O ATOM 1535 CB GLN A 107 -12.757 -9.508 10.018 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.301 -10.812 9.434 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.280 -10.497 8.301 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -14.313 -9.390 7.802 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.084 -11.431 7.870 1.00 0.00 N ATOM 0 H GLN A 107 -10.913 -8.752 11.899 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.900 -10.385 9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.075 -9.402 11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.162 -8.656 9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.481 -11.425 9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.802 -11.389 10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.057 -12.361 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.739 -11.231 7.115 1.00 0.00 H new ATOM 1548 N ILE A 108 -9.765 -8.366 8.385 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.243 -7.183 7.648 1.00 0.00 C ATOM 1550 C ILE A 108 -9.922 -7.132 6.271 1.00 0.00 C ATOM 1551 O ILE A 108 -10.171 -8.154 5.661 1.00 0.00 O ATOM 1552 CB ILE A 108 -7.712 -7.333 7.528 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.024 -6.130 8.183 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.272 -7.465 6.060 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -5.617 -5.933 7.617 1.00 0.00 C ATOM 0 H ILE A 108 -9.290 -9.245 8.179 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.460 -6.250 8.168 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.417 -8.247 8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.617 -5.231 8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.969 -6.280 9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.188 -7.569 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.740 -8.344 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.576 -6.576 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.149 -5.074 8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.020 -6.825 7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.678 -5.760 6.543 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.236 -5.965 5.777 1.00 0.00 N ATOM 1568 CA LYS A 109 -10.907 -5.892 4.446 1.00 0.00 C ATOM 1569 C LYS A 109 -10.489 -4.623 3.702 1.00 0.00 C ATOM 1570 O LYS A 109 -10.347 -3.563 4.283 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.425 -5.884 4.647 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.120 -5.997 3.289 1.00 0.00 C ATOM 1573 CD LYS A 109 -13.472 -7.462 3.018 1.00 0.00 C ATOM 1574 CE LYS A 109 -14.965 -7.579 2.707 1.00 0.00 C ATOM 1575 NZ LYS A 109 -15.147 -8.203 1.365 1.00 0.00 N ATOM 0 H LYS A 109 -10.060 -5.068 6.230 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.611 -6.758 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.722 -6.713 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.731 -4.966 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.023 -5.387 3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.469 -5.616 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.885 -7.839 2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.221 -8.074 3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.460 -8.181 3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.430 -6.593 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.162 -8.282 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.688 -7.612 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.718 -9.150 1.361 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.304 -4.725 2.411 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.909 -3.531 1.610 1.00 0.00 C ATOM 1591 C LEU A 110 -11.140 -2.684 1.334 1.00 0.00 C ATOM 1592 O LEU A 110 -12.260 -3.134 1.479 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.290 -3.981 0.292 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.211 -2.980 -0.116 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.230 -2.778 1.039 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.460 -3.521 -1.321 1.00 0.00 C ATOM 0 H LEU A 110 -10.410 -5.587 1.877 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.179 -2.943 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.859 -4.977 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.056 -4.046 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.677 -2.026 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.462 -2.063 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.765 -2.397 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.762 -3.730 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.688 -2.811 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.997 -4.474 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.155 -3.667 -2.148 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.953 -1.456 0.947 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.135 -0.593 0.678 1.00 0.00 C ATOM 1610 C LEU A 111 -11.771 0.492 -0.322 1.00 0.00 C ATOM 1611 O LEU A 111 -11.969 0.355 -1.511 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.594 0.055 1.987 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.740 -0.761 2.589 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.175 -1.773 3.588 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.711 0.177 3.309 1.00 0.00 C ATOM 0 H LEU A 111 -10.044 -1.015 0.806 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.938 -1.203 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.763 0.107 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.920 1.079 1.803 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.267 -1.289 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.991 -2.355 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.483 -2.442 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.649 -1.245 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.527 -0.404 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.185 0.705 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.114 0.899 2.599 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.250 1.573 0.160 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.877 2.692 -0.754 1.00 0.00 C ATOM 1629 C GLU A 112 -9.414 2.551 -1.185 1.00 0.00 C ATOM 1630 O GLU A 112 -8.568 3.345 -0.826 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.079 4.034 -0.047 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.091 4.874 -0.829 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.997 5.624 0.150 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -12.479 6.421 0.915 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -14.194 5.387 0.120 1.00 0.00 O ATOM 0 H GLU A 112 -11.062 1.739 1.149 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.515 2.653 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.434 3.871 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.130 4.565 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.571 5.582 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.689 4.233 -1.476 1.00 0.00 H new ATOM 1642 N SER A 113 -9.120 1.551 -1.971 1.00 0.00 N ATOM 1643 CA SER A 113 -7.724 1.356 -2.455 1.00 0.00 C ATOM 1644 C SER A 113 -7.666 1.749 -3.930 1.00 0.00 C ATOM 1645 O SER A 113 -7.975 0.963 -4.803 1.00 0.00 O ATOM 1646 CB SER A 113 -7.325 -0.112 -2.301 1.00 0.00 C ATOM 1647 OG SER A 113 -8.493 -0.917 -2.238 1.00 0.00 O ATOM 0 H SER A 113 -9.791 0.857 -2.300 1.00 0.00 H new ATOM 0 HA SER A 113 -7.038 1.972 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.703 -0.421 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.730 -0.245 -1.398 1.00 0.00 H new ATOM 0 HG SER A 113 -8.488 -1.559 -2.978 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.288 2.963 -4.217 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.232 3.400 -5.641 1.00 0.00 C ATOM 1655 C LYS A 114 -5.890 4.073 -5.922 1.00 0.00 C ATOM 1656 O LYS A 114 -5.450 4.934 -5.191 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.366 4.388 -5.914 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.281 5.551 -4.923 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.598 6.330 -4.932 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.438 5.927 -3.719 1.00 0.00 C ATOM 1661 NZ LYS A 114 -10.805 7.147 -2.944 1.00 0.00 N ATOM 0 H LYS A 114 -7.017 3.669 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.341 2.531 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.299 4.762 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.329 3.887 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.077 5.174 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.455 6.210 -5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.399 7.401 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.147 6.126 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.338 5.404 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.878 5.237 -3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.216 7.206 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.649 7.991 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.807 7.096 -2.671 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.237 3.686 -6.982 1.00 0.00 N ATOM 1676 CA CYS A 115 -3.923 4.303 -7.312 1.00 0.00 C ATOM 1677 C CYS A 115 -4.000 4.968 -8.687 1.00 0.00 C ATOM 1678 O CYS A 115 -3.928 4.313 -9.708 1.00 0.00 O ATOM 1679 CB CYS A 115 -2.849 3.214 -7.326 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.975 2.231 -5.813 1.00 0.00 S ATOM 0 H CYS A 115 -5.557 2.969 -7.634 1.00 0.00 H new ATOM 0 HA CYS A 115 -3.672 5.056 -6.565 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -2.974 2.575 -8.200 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -1.859 3.664 -7.399 1.00 0.00 H new ATOM 1685 N GLN A 116 -4.147 6.264 -8.723 1.00 0.00 N ATOM 1686 CA GLN A 116 -4.228 6.968 -10.034 1.00 0.00 C ATOM 1687 C GLN A 116 -4.223 8.480 -9.801 1.00 0.00 C ATOM 1688 CB GLN A 116 -5.519 6.567 -10.749 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.550 7.200 -12.141 1.00 0.00 C ATOM 1690 CD GLN A 116 -5.619 6.101 -13.202 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -4.761 5.241 -13.260 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -6.609 6.090 -14.050 1.00 0.00 N ATOM 0 H GLN A 116 -4.214 6.865 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 116 -3.371 6.692 -10.649 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -5.580 5.482 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.384 6.893 -10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.411 7.862 -12.232 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.661 7.812 -12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.329 6.811 -14.002 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -6.663 5.361 -14.761 1.00 0.00 H new TER 1701 GLN A 116