USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 711 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 3 SER OG : rot 180:sc= -0.145 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.602 USER MOD Single : A 8 GLN : amide:sc= -0.642 X(o=-0.64,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 1.07 (180deg=0.0445) USER MOD Single : A 12 GLN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.83 K(o=-2.8,f=-0.78) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.081 USER MOD Single : A 34 THR OG1 : rot 30:sc= 0.0205 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -91:sc= -1.04 USER MOD Single : A 38 MET CE :methyl -157:sc= -1.59 (180deg=-3.87!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 47 MET CE :methyl 164:sc= -0.0528 (180deg=-0.385) USER MOD Single : A 55 GLN : amide:sc= -3.35! C(o=-3.3!,f=-2.4!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.003) USER MOD Single : A 58 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.4) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0433 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 146:sc= 0.0287 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.573 K(o=0.57,f=-0.35) USER MOD Single : A 86 THR OG1 : rot -25:sc= -0.116 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0.136 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.761 28.142 27.048 1.00 0.00 N ATOM 2 CA GLY A 1 -26.245 26.788 27.129 1.00 0.00 C ATOM 3 C GLY A 1 -26.272 26.077 25.790 1.00 0.00 C ATOM 4 O GLY A 1 -26.891 25.022 25.653 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.722 28.585 27.988 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.185 28.694 26.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.747 28.119 26.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.221 26.814 27.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.833 26.221 27.850 1.00 0.00 H new ATOM 8 N SER A 2 -25.600 26.656 24.801 1.00 0.00 N ATOM 9 CA SER A 2 -25.553 26.074 23.465 1.00 0.00 C ATOM 10 C SER A 2 -24.293 25.234 23.282 1.00 0.00 C ATOM 11 O SER A 2 -24.303 24.224 22.578 1.00 0.00 O ATOM 12 CB SER A 2 -25.604 27.174 22.403 1.00 0.00 C ATOM 13 OG SER A 2 -25.238 28.429 22.952 1.00 0.00 O ATOM 0 H SER A 2 -25.080 27.528 24.899 1.00 0.00 H new ATOM 0 HA SER A 2 -26.422 25.426 23.348 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.933 26.923 21.582 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.609 27.235 21.986 1.00 0.00 H new ATOM 0 HG SER A 2 -25.277 29.115 22.254 1.00 0.00 H new ATOM 19 N SER A 3 -23.208 25.659 23.922 1.00 0.00 N ATOM 20 CA SER A 3 -21.938 24.949 23.828 1.00 0.00 C ATOM 21 C SER A 3 -22.035 23.573 24.481 1.00 0.00 C ATOM 22 O SER A 3 -22.055 23.455 25.705 1.00 0.00 O ATOM 23 CB SER A 3 -20.824 25.763 24.490 1.00 0.00 C ATOM 24 OG SER A 3 -20.062 24.959 25.375 1.00 0.00 O ATOM 0 H SER A 3 -23.183 26.491 24.511 1.00 0.00 H new ATOM 0 HA SER A 3 -21.702 24.815 22.772 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.173 26.184 23.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.257 26.601 25.036 1.00 0.00 H new ATOM 0 HG SER A 3 -19.356 25.502 25.784 1.00 0.00 H new ATOM 30 N GLY A 4 -22.094 22.535 23.652 1.00 0.00 N ATOM 31 CA GLY A 4 -22.188 21.181 24.165 1.00 0.00 C ATOM 32 C GLY A 4 -21.216 20.235 23.488 1.00 0.00 C ATOM 33 O GLY A 4 -20.193 19.867 24.066 1.00 0.00 O ATOM 0 H GLY A 4 -22.078 22.608 22.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.995 21.188 25.238 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.205 20.813 24.026 1.00 0.00 H new ATOM 37 N SER A 5 -21.536 19.840 22.260 1.00 0.00 N ATOM 38 CA SER A 5 -20.685 18.926 21.506 1.00 0.00 C ATOM 39 C SER A 5 -20.486 19.424 20.078 1.00 0.00 C ATOM 40 O SER A 5 -21.259 20.243 19.580 1.00 0.00 O ATOM 41 CB SER A 5 -21.297 17.524 21.488 1.00 0.00 C ATOM 42 OG SER A 5 -20.818 16.745 22.571 1.00 0.00 O ATOM 0 H SER A 5 -22.377 20.138 21.766 1.00 0.00 H new ATOM 0 HA SER A 5 -19.713 18.884 21.997 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.383 17.597 21.541 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.056 17.031 20.546 1.00 0.00 H new ATOM 0 HG SER A 5 -21.225 15.854 22.538 1.00 0.00 H new ATOM 48 N SER A 6 -19.442 18.924 19.424 1.00 0.00 N ATOM 49 CA SER A 6 -19.137 19.321 18.054 1.00 0.00 C ATOM 50 C SER A 6 -19.213 18.123 17.112 1.00 0.00 C ATOM 51 O SER A 6 -19.600 17.026 17.514 1.00 0.00 O ATOM 52 CB SER A 6 -17.746 19.954 17.982 1.00 0.00 C ATOM 53 OG SER A 6 -16.864 19.159 17.208 1.00 0.00 O ATOM 0 H SER A 6 -18.794 18.244 19.820 1.00 0.00 H new ATOM 0 HA SER A 6 -19.879 20.055 17.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.819 20.951 17.547 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.345 20.074 18.988 1.00 0.00 H new ATOM 0 HG SER A 6 -15.982 19.586 17.176 1.00 0.00 H new ATOM 59 N GLY A 7 -18.840 18.342 15.855 1.00 0.00 N ATOM 60 CA GLY A 7 -18.873 17.272 14.874 1.00 0.00 C ATOM 61 C GLY A 7 -18.844 17.791 13.450 1.00 0.00 C ATOM 62 O GLY A 7 -19.713 18.563 13.047 1.00 0.00 O ATOM 0 H GLY A 7 -18.516 19.241 15.498 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.022 16.610 15.034 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.773 16.675 15.022 1.00 0.00 H new ATOM 66 N GLN A 8 -17.841 17.366 12.688 1.00 0.00 N ATOM 67 CA GLN A 8 -17.702 17.795 11.301 1.00 0.00 C ATOM 68 C GLN A 8 -18.256 16.741 10.347 1.00 0.00 C ATOM 69 O GLN A 8 -18.254 15.545 10.636 1.00 0.00 O ATOM 70 CB GLN A 8 -16.233 18.072 10.976 1.00 0.00 C ATOM 71 CG GLN A 8 -15.362 16.827 10.986 1.00 0.00 C ATOM 72 CD GLN A 8 -14.764 16.544 12.350 1.00 0.00 C ATOM 73 OE1 GLN A 8 -14.295 17.453 13.036 1.00 0.00 O ATOM 74 NE2 GLN A 8 -14.777 15.279 12.752 1.00 0.00 N ATOM 0 H GLN A 8 -17.114 16.726 13.007 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.275 18.713 11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.169 18.542 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.838 18.787 11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.956 15.970 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.559 16.944 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.176 14.557 12.152 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.388 15.029 13.661 1.00 0.00 H new ATOM 83 N PRO A 9 -18.743 17.195 9.183 1.00 0.00 N ATOM 84 CA PRO A 9 -19.309 16.307 8.163 1.00 0.00 C ATOM 85 C PRO A 9 -18.247 15.441 7.494 1.00 0.00 C ATOM 86 O PRO A 9 -17.234 15.947 7.011 1.00 0.00 O ATOM 87 CB PRO A 9 -19.923 17.277 7.150 1.00 0.00 C ATOM 88 CG PRO A 9 -19.149 18.539 7.316 1.00 0.00 C ATOM 89 CD PRO A 9 -18.778 18.608 8.772 1.00 0.00 C ATOM 0 HA PRO A 9 -20.024 15.602 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.840 16.893 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -20.984 17.435 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.259 18.537 6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.745 19.404 7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.813 19.093 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.510 19.176 9.347 1.00 0.00 H new ATOM 97 N ILE A 10 -18.486 14.134 7.469 1.00 0.00 N ATOM 98 CA ILE A 10 -17.550 13.198 6.858 1.00 0.00 C ATOM 99 C ILE A 10 -17.100 13.688 5.486 1.00 0.00 C ATOM 100 O ILE A 10 -17.804 14.451 4.825 1.00 0.00 O ATOM 101 CB ILE A 10 -18.171 11.796 6.712 1.00 0.00 C ATOM 102 CG1 ILE A 10 -17.301 10.753 7.417 1.00 0.00 C ATOM 103 CG2 ILE A 10 -18.343 11.444 5.242 1.00 0.00 C ATOM 104 CD1 ILE A 10 -17.361 9.384 6.777 1.00 0.00 C ATOM 0 H ILE A 10 -19.320 13.699 7.865 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.687 13.137 7.520 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.154 11.799 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.267 11.098 7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.615 10.673 8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.783 10.451 5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.999 12.174 4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.371 11.455 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.720 8.696 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.388 9.018 6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.018 9.450 5.744 1.00 0.00 H new ATOM 116 N LYS A 11 -15.922 13.243 5.063 1.00 0.00 N ATOM 117 CA LYS A 11 -15.377 13.633 3.768 1.00 0.00 C ATOM 118 C LYS A 11 -15.322 12.439 2.819 1.00 0.00 C ATOM 119 O LYS A 11 -15.918 11.396 3.086 1.00 0.00 O ATOM 120 CB LYS A 11 -13.977 14.227 3.938 1.00 0.00 C ATOM 121 CG LYS A 11 -12.905 13.188 4.220 1.00 0.00 C ATOM 122 CD LYS A 11 -11.939 13.661 5.293 1.00 0.00 C ATOM 123 CE LYS A 11 -11.118 14.850 4.819 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.833 14.424 4.197 1.00 0.00 N ATOM 0 H LYS A 11 -15.326 12.612 5.598 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.035 14.388 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.712 14.774 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.995 14.949 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.374 12.256 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.355 12.973 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.495 13.936 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.272 12.844 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.697 15.427 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.912 15.509 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.062 15.032 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.635 13.435 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.904 14.507 3.163 1.00 0.00 H new ATOM 138 N GLN A 12 -14.603 12.601 1.713 1.00 0.00 N ATOM 139 CA GLN A 12 -14.470 11.536 0.726 1.00 0.00 C ATOM 140 C GLN A 12 -13.878 10.280 1.357 1.00 0.00 C ATOM 141 O GLN A 12 -13.426 10.304 2.502 1.00 0.00 O ATOM 142 CB GLN A 12 -13.593 11.998 -0.439 1.00 0.00 C ATOM 143 CG GLN A 12 -12.303 12.672 0.000 1.00 0.00 C ATOM 144 CD GLN A 12 -12.174 14.086 -0.531 1.00 0.00 C ATOM 145 OE1 GLN A 12 -11.947 15.028 0.228 1.00 0.00 O ATOM 146 NE2 GLN A 12 -12.317 14.241 -1.842 1.00 0.00 N ATOM 0 H GLN A 12 -14.104 13.459 1.478 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.465 11.297 0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.350 11.138 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.162 12.691 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.260 12.691 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.454 12.081 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.504 13.432 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.239 15.169 -2.257 1.00 0.00 H new ATOM 155 N GLU A 13 -13.884 9.185 0.603 1.00 0.00 N ATOM 156 CA GLU A 13 -13.348 7.920 1.090 1.00 0.00 C ATOM 157 C GLU A 13 -12.313 7.358 0.120 1.00 0.00 C ATOM 158 O GLU A 13 -12.577 7.218 -1.075 1.00 0.00 O ATOM 159 CB GLU A 13 -14.477 6.906 1.293 1.00 0.00 C ATOM 160 CG GLU A 13 -15.491 6.891 0.161 1.00 0.00 C ATOM 161 CD GLU A 13 -15.977 5.493 -0.167 1.00 0.00 C ATOM 162 OE1 GLU A 13 -16.867 4.990 0.550 1.00 0.00 O ATOM 163 OE2 GLU A 13 -15.468 4.902 -1.143 1.00 0.00 O ATOM 0 H GLU A 13 -14.254 9.149 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.860 8.106 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.046 5.910 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.991 7.130 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.343 7.514 0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.044 7.334 -0.729 1.00 0.00 H new ATOM 170 N LEU A 14 -11.134 7.038 0.643 1.00 0.00 N ATOM 171 CA LEU A 14 -10.057 6.491 -0.176 1.00 0.00 C ATOM 172 C LEU A 14 -10.251 4.995 -0.402 1.00 0.00 C ATOM 173 O LEU A 14 -10.176 4.513 -1.532 1.00 0.00 O ATOM 174 CB LEU A 14 -8.704 6.748 0.489 1.00 0.00 C ATOM 175 CG LEU A 14 -8.420 8.194 0.898 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.836 8.246 2.301 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.480 8.855 -0.099 1.00 0.00 C ATOM 0 H LEU A 14 -10.900 7.148 1.630 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.079 6.991 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.633 6.120 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.919 6.424 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.361 8.744 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.640 9.283 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.544 7.812 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.904 7.681 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.289 9.883 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.539 8.305 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.937 8.851 -1.088 1.00 0.00 H new ATOM 189 N SER A 15 -10.501 4.266 0.681 1.00 0.00 N ATOM 190 CA SER A 15 -10.704 2.824 0.601 1.00 0.00 C ATOM 191 C SER A 15 -9.430 2.121 0.141 1.00 0.00 C ATOM 192 O SER A 15 -8.830 2.496 -0.867 1.00 0.00 O ATOM 193 CB SER A 15 -11.852 2.501 -0.356 1.00 0.00 C ATOM 194 OG SER A 15 -12.881 3.471 -0.264 1.00 0.00 O ATOM 0 H SER A 15 -10.568 4.650 1.624 1.00 0.00 H new ATOM 0 HA SER A 15 -10.959 2.462 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.477 2.460 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.256 1.515 -0.125 1.00 0.00 H new ATOM 0 HG SER A 15 -13.602 3.243 -0.887 1.00 0.00 H new ATOM 200 N CYS A 16 -9.023 1.100 0.887 1.00 0.00 N ATOM 201 CA CYS A 16 -7.821 0.343 0.558 1.00 0.00 C ATOM 202 C CYS A 16 -8.155 -0.844 -0.342 1.00 0.00 C ATOM 203 O CYS A 16 -8.547 -1.909 0.136 1.00 0.00 O ATOM 204 CB CYS A 16 -7.136 -0.147 1.835 1.00 0.00 C ATOM 205 SG CYS A 16 -5.861 -1.418 1.554 1.00 0.00 S ATOM 0 H CYS A 16 -9.508 0.777 1.724 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.141 1.004 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.680 0.705 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.892 -0.549 2.509 1.00 0.00 H new ATOM 210 N LYS A 17 -7.996 -0.653 -1.647 1.00 0.00 N ATOM 211 CA LYS A 17 -8.279 -1.706 -2.615 1.00 0.00 C ATOM 212 C LYS A 17 -7.164 -2.747 -2.626 1.00 0.00 C ATOM 213 O LYS A 17 -6.557 -3.009 -3.665 1.00 0.00 O ATOM 214 CB LYS A 17 -8.448 -1.110 -4.014 1.00 0.00 C ATOM 215 CG LYS A 17 -9.660 -0.203 -4.145 1.00 0.00 C ATOM 216 CD LYS A 17 -10.950 -0.951 -3.857 1.00 0.00 C ATOM 217 CE LYS A 17 -12.171 -0.108 -4.194 1.00 0.00 C ATOM 218 NZ LYS A 17 -13.056 0.085 -3.013 1.00 0.00 N ATOM 0 H LYS A 17 -7.672 0.222 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.208 -2.195 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.552 -0.545 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.531 -1.921 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.564 0.636 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.697 0.213 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.973 -1.874 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.981 -1.233 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.849 0.864 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.734 -0.588 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.876 0.664 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.384 -0.840 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.527 0.566 -2.258 1.00 0.00 H new ATOM 232 N TRP A 18 -6.901 -3.338 -1.466 1.00 0.00 N ATOM 233 CA TRP A 18 -5.859 -4.352 -1.344 1.00 0.00 C ATOM 234 C TRP A 18 -6.453 -5.754 -1.418 1.00 0.00 C ATOM 235 O TRP A 18 -6.900 -6.303 -0.410 1.00 0.00 O ATOM 236 CB TRP A 18 -5.099 -4.176 -0.029 1.00 0.00 C ATOM 237 CG TRP A 18 -3.978 -5.156 0.145 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.084 -6.461 0.535 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.583 -4.909 -0.062 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.839 -7.039 0.582 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.901 -6.109 0.220 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.844 -3.791 -0.459 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.517 -6.220 0.117 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.471 -3.903 -0.560 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.181 -5.110 -0.274 1.00 0.00 C ATOM 0 H TRP A 18 -7.394 -3.133 -0.597 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.166 -4.227 -2.176 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.698 -3.164 0.018 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.796 -4.281 0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.010 -6.964 0.771 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.644 -8.005 0.844 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.337 -2.857 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.012 -7.149 0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.110 -3.045 -0.865 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.256 -5.165 -0.364 1.00 0.00 H new ATOM 256 N ILE A 19 -6.455 -6.329 -2.616 1.00 0.00 N ATOM 257 CA ILE A 19 -6.993 -7.668 -2.820 1.00 0.00 C ATOM 258 C ILE A 19 -5.919 -8.730 -2.610 1.00 0.00 C ATOM 259 O ILE A 19 -5.185 -9.076 -3.536 1.00 0.00 O ATOM 260 CB ILE A 19 -7.588 -7.827 -4.231 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.590 -6.706 -4.516 1.00 0.00 C ATOM 262 CG2 ILE A 19 -8.253 -9.188 -4.376 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.358 -6.010 -5.838 1.00 0.00 C ATOM 0 H ILE A 19 -6.090 -5.888 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.785 -7.805 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.779 -7.760 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.598 -7.120 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.538 -5.970 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.669 -9.285 -5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.515 -9.973 -4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.053 -9.282 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.105 -5.228 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.362 -5.567 -5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.439 -6.733 -6.649 1.00 0.00 H new ATOM 275 N ASP A 20 -5.834 -9.244 -1.388 1.00 0.00 N ATOM 276 CA ASP A 20 -4.852 -10.270 -1.057 1.00 0.00 C ATOM 277 C ASP A 20 -5.012 -11.488 -1.961 1.00 0.00 C ATOM 278 O ASP A 20 -5.907 -11.533 -2.804 1.00 0.00 O ATOM 279 CB ASP A 20 -4.991 -10.685 0.409 1.00 0.00 C ATOM 280 CG ASP A 20 -3.649 -10.924 1.073 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.652 -10.319 0.627 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.596 -11.716 2.037 1.00 0.00 O ATOM 0 H ASP A 20 -6.433 -8.967 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.858 -9.851 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.530 -9.909 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.591 -11.593 0.471 1.00 0.00 H new ATOM 287 N GLU A 21 -4.138 -12.473 -1.779 1.00 0.00 N ATOM 288 CA GLU A 21 -4.182 -13.691 -2.580 1.00 0.00 C ATOM 289 C GLU A 21 -4.192 -14.929 -1.688 1.00 0.00 C ATOM 290 O GLU A 21 -3.346 -15.079 -0.808 1.00 0.00 O ATOM 291 CB GLU A 21 -2.986 -13.745 -3.533 1.00 0.00 C ATOM 292 CG GLU A 21 -3.083 -14.850 -4.571 1.00 0.00 C ATOM 293 CD GLU A 21 -1.731 -15.435 -4.929 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.295 -16.382 -4.242 1.00 0.00 O ATOM 295 OE2 GLU A 21 -1.110 -14.946 -5.896 1.00 0.00 O ATOM 0 H GLU A 21 -3.391 -12.451 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.102 -13.678 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.895 -12.786 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.075 -13.884 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.729 -15.643 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.554 -14.457 -5.472 1.00 0.00 H new ATOM 302 N ALA A 22 -5.157 -15.812 -1.923 1.00 0.00 N ATOM 303 CA ALA A 22 -5.278 -17.037 -1.143 1.00 0.00 C ATOM 304 C ALA A 22 -5.768 -16.742 0.271 1.00 0.00 C ATOM 305 O ALA A 22 -5.885 -17.646 1.098 1.00 0.00 O ATOM 306 CB ALA A 22 -3.944 -17.768 -1.099 1.00 0.00 C ATOM 0 H ALA A 22 -5.866 -15.702 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.015 -17.676 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.049 -18.681 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.634 -18.021 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.192 -17.126 -0.639 1.00 0.00 H new ATOM 312 N GLN A 23 -6.054 -15.472 0.540 1.00 0.00 N ATOM 313 CA GLN A 23 -6.530 -15.059 1.855 1.00 0.00 C ATOM 314 C GLN A 23 -7.457 -16.112 2.454 1.00 0.00 C ATOM 315 O GLN A 23 -8.247 -16.735 1.743 1.00 0.00 O ATOM 316 CB GLN A 23 -7.259 -13.717 1.758 1.00 0.00 C ATOM 317 CG GLN A 23 -8.158 -13.600 0.538 1.00 0.00 C ATOM 318 CD GLN A 23 -8.246 -12.181 0.012 1.00 0.00 C ATOM 319 OE1 GLN A 23 -8.549 -11.248 0.756 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.980 -12.010 -1.278 1.00 0.00 N ATOM 0 H GLN A 23 -5.964 -14.712 -0.134 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.665 -14.949 2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.859 -13.573 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.523 -12.914 1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.782 -14.253 -0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.158 -13.952 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.733 -12.812 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.023 -11.077 -1.688 1.00 0.00 H new ATOM 329 N LEU A 24 -7.354 -16.307 3.764 1.00 0.00 N ATOM 330 CA LEU A 24 -8.183 -17.285 4.459 1.00 0.00 C ATOM 331 C LEU A 24 -9.580 -17.345 3.851 1.00 0.00 C ATOM 332 O LEU A 24 -10.111 -18.426 3.596 1.00 0.00 O ATOM 333 CB LEU A 24 -8.275 -16.940 5.946 1.00 0.00 C ATOM 334 CG LEU A 24 -8.118 -18.110 6.918 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.460 -17.646 8.209 1.00 0.00 C ATOM 336 CD2 LEU A 24 -9.468 -18.750 7.205 1.00 0.00 C ATOM 0 H LEU A 24 -6.705 -15.801 4.366 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.717 -18.264 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.509 -16.199 6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.240 -16.468 6.130 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.475 -18.859 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.356 -18.492 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.475 -17.235 7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.077 -16.878 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.337 -19.581 7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.135 -18.010 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.901 -19.119 6.275 1.00 0.00 H new ATOM 348 N SER A 25 -10.170 -16.177 3.621 1.00 0.00 N ATOM 349 CA SER A 25 -11.507 -16.096 3.044 1.00 0.00 C ATOM 350 C SER A 25 -11.441 -16.066 1.520 1.00 0.00 C ATOM 351 O SER A 25 -10.406 -15.736 0.940 1.00 0.00 O ATOM 352 CB SER A 25 -12.234 -14.852 3.559 1.00 0.00 C ATOM 353 OG SER A 25 -13.505 -15.186 4.089 1.00 0.00 O ATOM 0 H SER A 25 -9.743 -15.273 3.825 1.00 0.00 H new ATOM 0 HA SER A 25 -12.061 -16.984 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.632 -14.368 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.352 -14.134 2.747 1.00 0.00 H new ATOM 0 HG SER A 25 -13.948 -14.374 4.413 1.00 0.00 H new ATOM 359 N ARG A 26 -12.552 -16.411 0.879 1.00 0.00 N ATOM 360 CA ARG A 26 -12.621 -16.425 -0.578 1.00 0.00 C ATOM 361 C ARG A 26 -14.055 -16.218 -1.056 1.00 0.00 C ATOM 362 O ARG A 26 -15.017 -16.393 -0.307 1.00 0.00 O ATOM 363 CB ARG A 26 -12.076 -17.746 -1.123 1.00 0.00 C ATOM 364 CG ARG A 26 -10.602 -17.692 -1.490 1.00 0.00 C ATOM 365 CD ARG A 26 -10.400 -17.750 -2.996 1.00 0.00 C ATOM 366 NE ARG A 26 -9.216 -18.524 -3.360 1.00 0.00 N ATOM 367 CZ ARG A 26 -9.030 -19.061 -4.561 1.00 0.00 C ATOM 368 NH1 ARG A 26 -9.945 -18.910 -5.508 1.00 0.00 N ATOM 369 NH2 ARG A 26 -7.925 -19.751 -4.816 1.00 0.00 N ATOM 0 H ARG A 26 -13.417 -16.685 1.345 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.009 -15.605 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.228 -18.527 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.651 -18.030 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.162 -16.775 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.078 -18.524 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.280 -18.192 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.306 -16.737 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.493 -18.660 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.795 -18.380 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.799 -19.324 -6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.218 -19.869 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.782 -20.163 -5.738 1.00 0.00 H new ATOM 383 N PRO A 27 -14.204 -15.837 -2.333 1.00 0.00 N ATOM 384 CA PRO A 27 -13.067 -15.626 -3.234 1.00 0.00 C ATOM 385 C PRO A 27 -12.251 -14.393 -2.859 1.00 0.00 C ATOM 386 O PRO A 27 -12.704 -13.547 -2.087 1.00 0.00 O ATOM 387 CB PRO A 27 -13.728 -15.433 -4.601 1.00 0.00 C ATOM 388 CG PRO A 27 -15.096 -14.932 -4.293 1.00 0.00 C ATOM 389 CD PRO A 27 -15.494 -15.582 -2.997 1.00 0.00 C ATOM 0 HA PRO A 27 -12.361 -16.456 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.174 -14.720 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.765 -16.369 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.102 -13.846 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.794 -15.190 -5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.132 -14.930 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.049 -16.505 -3.164 1.00 0.00 H new ATOM 397 N LYS A 28 -11.046 -14.297 -3.409 1.00 0.00 N ATOM 398 CA LYS A 28 -10.166 -13.167 -3.134 1.00 0.00 C ATOM 399 C LYS A 28 -10.965 -11.873 -3.010 1.00 0.00 C ATOM 400 O LYS A 28 -11.279 -11.227 -4.010 1.00 0.00 O ATOM 401 CB LYS A 28 -9.119 -13.028 -4.242 1.00 0.00 C ATOM 402 CG LYS A 28 -8.121 -14.172 -4.283 1.00 0.00 C ATOM 403 CD LYS A 28 -7.408 -14.242 -5.622 1.00 0.00 C ATOM 404 CE LYS A 28 -7.835 -15.466 -6.418 1.00 0.00 C ATOM 405 NZ LYS A 28 -7.427 -15.369 -7.847 1.00 0.00 N ATOM 0 H LYS A 28 -10.656 -14.989 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.661 -13.354 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.627 -12.965 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.579 -12.091 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.388 -14.046 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.637 -15.113 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.621 -13.341 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.330 -14.270 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.395 -16.359 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.917 -15.580 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.736 -16.222 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.867 -14.531 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.392 -15.286 -7.908 1.00 0.00 H new ATOM 419 N LYS A 29 -11.291 -11.501 -1.777 1.00 0.00 N ATOM 420 CA LYS A 29 -12.051 -10.283 -1.521 1.00 0.00 C ATOM 421 C LYS A 29 -11.120 -9.087 -1.347 1.00 0.00 C ATOM 422 O LYS A 29 -9.960 -9.242 -0.966 1.00 0.00 O ATOM 423 CB LYS A 29 -12.919 -10.452 -0.272 1.00 0.00 C ATOM 424 CG LYS A 29 -12.119 -10.653 1.003 1.00 0.00 C ATOM 425 CD LYS A 29 -13.008 -11.083 2.158 1.00 0.00 C ATOM 426 CE LYS A 29 -13.344 -9.911 3.068 1.00 0.00 C ATOM 427 NZ LYS A 29 -12.324 -9.728 4.136 1.00 0.00 N ATOM 0 H LYS A 29 -11.041 -12.026 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.694 -10.099 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.552 -9.572 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.582 -11.306 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.349 -11.406 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.607 -9.726 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.928 -11.518 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.507 -11.861 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.416 -9.000 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.321 -10.073 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.589 -8.920 4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.273 -10.588 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.396 -9.548 3.703 1.00 0.00 H new ATOM 441 N SER A 30 -11.637 -7.895 -1.628 1.00 0.00 N ATOM 442 CA SER A 30 -10.851 -6.673 -1.505 1.00 0.00 C ATOM 443 C SER A 30 -10.883 -6.148 -0.073 1.00 0.00 C ATOM 444 O SER A 30 -11.935 -6.123 0.568 1.00 0.00 O ATOM 445 CB SER A 30 -11.377 -5.604 -2.464 1.00 0.00 C ATOM 446 OG SER A 30 -12.623 -5.987 -3.021 1.00 0.00 O ATOM 0 H SER A 30 -12.596 -7.750 -1.942 1.00 0.00 H new ATOM 0 HA SER A 30 -9.819 -6.907 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.487 -4.658 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.653 -5.439 -3.262 1.00 0.00 H new ATOM 0 HG SER A 30 -12.939 -5.286 -3.629 1.00 0.00 H new ATOM 452 N CYS A 31 -9.724 -5.729 0.424 1.00 0.00 N ATOM 453 CA CYS A 31 -9.617 -5.205 1.780 1.00 0.00 C ATOM 454 C CYS A 31 -10.656 -4.115 2.025 1.00 0.00 C ATOM 455 O CYS A 31 -11.081 -3.891 3.159 1.00 0.00 O ATOM 456 CB CYS A 31 -8.213 -4.651 2.026 1.00 0.00 C ATOM 457 SG CYS A 31 -8.071 -3.622 3.522 1.00 0.00 S ATOM 0 H CYS A 31 -8.845 -5.742 -0.093 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.804 -6.024 2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.514 -5.484 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.911 -4.060 1.161 1.00 0.00 H new ATOM 462 N ASP A 32 -11.061 -3.440 0.955 1.00 0.00 N ATOM 463 CA ASP A 32 -12.051 -2.373 1.052 1.00 0.00 C ATOM 464 C ASP A 32 -11.616 -1.319 2.065 1.00 0.00 C ATOM 465 O ASP A 32 -10.931 -0.356 1.718 1.00 0.00 O ATOM 466 CB ASP A 32 -13.412 -2.947 1.448 1.00 0.00 C ATOM 467 CG ASP A 32 -14.279 -3.263 0.245 1.00 0.00 C ATOM 468 OD1 ASP A 32 -13.803 -3.985 -0.656 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.433 -2.787 0.204 1.00 0.00 O ATOM 0 H ASP A 32 -10.719 -3.613 0.010 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.135 -1.899 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.264 -3.854 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.931 -2.235 2.089 1.00 0.00 H new ATOM 474 N ARG A 33 -12.019 -1.506 3.317 1.00 0.00 N ATOM 475 CA ARG A 33 -11.673 -0.570 4.380 1.00 0.00 C ATOM 476 C ARG A 33 -12.092 0.850 4.011 1.00 0.00 C ATOM 477 O ARG A 33 -12.572 1.100 2.905 1.00 0.00 O ATOM 478 CB ARG A 33 -10.169 -0.614 4.657 1.00 0.00 C ATOM 479 CG ARG A 33 -9.819 -1.151 6.036 1.00 0.00 C ATOM 480 CD ARG A 33 -10.359 -2.558 6.239 1.00 0.00 C ATOM 481 NE ARG A 33 -11.160 -2.667 7.455 1.00 0.00 N ATOM 482 CZ ARG A 33 -12.054 -3.628 7.663 1.00 0.00 C ATOM 483 NH1 ARG A 33 -12.258 -4.558 6.741 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.744 -3.659 8.795 1.00 0.00 N ATOM 0 H ARG A 33 -12.586 -2.298 3.621 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.210 -0.866 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.687 -1.235 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.759 0.391 4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.736 -1.154 6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.228 -0.489 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.966 -2.841 5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.528 -3.262 6.288 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.026 -1.967 8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.728 -4.537 5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.945 -5.295 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.589 -2.945 9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.430 -4.397 8.954 1.00 0.00 H new ATOM 498 N THR A 34 -11.907 1.778 4.945 1.00 0.00 N ATOM 499 CA THR A 34 -12.267 3.172 4.720 1.00 0.00 C ATOM 500 C THR A 34 -11.406 4.105 5.564 1.00 0.00 C ATOM 501 O THR A 34 -11.264 3.913 6.771 1.00 0.00 O ATOM 502 CB THR A 34 -13.751 3.428 5.043 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.080 2.861 6.316 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.649 2.834 3.969 1.00 0.00 C ATOM 0 H THR A 34 -11.510 1.589 5.865 1.00 0.00 H new ATOM 0 HA THR A 34 -12.092 3.377 3.664 1.00 0.00 H new ATOM 0 HB THR A 34 -13.913 4.505 5.073 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.289 2.875 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.692 3.027 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.416 3.290 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.483 1.758 3.910 1.00 0.00 H new ATOM 512 N PHE A 35 -10.834 5.117 4.920 1.00 0.00 N ATOM 513 CA PHE A 35 -9.986 6.081 5.612 1.00 0.00 C ATOM 514 C PHE A 35 -10.427 7.510 5.307 1.00 0.00 C ATOM 515 O PHE A 35 -11.018 7.779 4.262 1.00 0.00 O ATOM 516 CB PHE A 35 -8.523 5.889 5.207 1.00 0.00 C ATOM 517 CG PHE A 35 -8.096 4.450 5.169 1.00 0.00 C ATOM 518 CD1 PHE A 35 -8.357 3.665 4.057 1.00 0.00 C ATOM 519 CD2 PHE A 35 -7.433 3.881 6.244 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.966 2.340 4.019 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.038 2.557 6.212 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.305 1.786 5.098 1.00 0.00 C ATOM 0 H PHE A 35 -10.942 5.291 3.921 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.084 5.910 6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.365 6.333 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.886 6.430 5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.872 4.094 3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.222 4.479 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.177 1.739 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.521 2.126 7.057 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.997 0.751 5.070 1.00 0.00 H new ATOM 532 N SER A 36 -10.134 8.423 6.228 1.00 0.00 N ATOM 533 CA SER A 36 -10.503 9.823 6.061 1.00 0.00 C ATOM 534 C SER A 36 -9.308 10.648 5.592 1.00 0.00 C ATOM 535 O SER A 36 -9.468 11.692 4.959 1.00 0.00 O ATOM 536 CB SER A 36 -11.044 10.390 7.375 1.00 0.00 C ATOM 537 OG SER A 36 -12.461 10.387 7.387 1.00 0.00 O ATOM 0 H SER A 36 -9.642 8.218 7.098 1.00 0.00 H new ATOM 0 HA SER A 36 -11.282 9.879 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.669 9.800 8.211 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.678 11.407 7.514 1.00 0.00 H new ATOM 0 HG SER A 36 -12.782 10.752 8.238 1.00 0.00 H new ATOM 543 N THR A 37 -8.107 10.172 5.909 1.00 0.00 N ATOM 544 CA THR A 37 -6.884 10.864 5.522 1.00 0.00 C ATOM 545 C THR A 37 -5.960 9.945 4.731 1.00 0.00 C ATOM 546 O THR A 37 -5.757 8.788 5.098 1.00 0.00 O ATOM 547 CB THR A 37 -6.128 11.398 6.752 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.909 10.340 7.691 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.907 12.522 7.420 1.00 0.00 C ATOM 0 H THR A 37 -7.956 9.310 6.433 1.00 0.00 H new ATOM 0 HA THR A 37 -7.181 11.704 4.894 1.00 0.00 H new ATOM 0 HB THR A 37 -5.168 11.791 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.655 10.306 8.326 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.353 12.883 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.046 13.339 6.712 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.880 12.150 7.741 1.00 0.00 H new ATOM 557 N MET A 38 -5.401 10.469 3.645 1.00 0.00 N ATOM 558 CA MET A 38 -4.495 9.695 2.803 1.00 0.00 C ATOM 559 C MET A 38 -3.398 9.044 3.640 1.00 0.00 C ATOM 560 O MET A 38 -2.948 7.938 3.340 1.00 0.00 O ATOM 561 CB MET A 38 -3.872 10.590 1.730 1.00 0.00 C ATOM 562 CG MET A 38 -2.736 9.925 0.970 1.00 0.00 C ATOM 563 SD MET A 38 -3.108 8.221 0.514 1.00 0.00 S ATOM 564 CE MET A 38 -4.155 8.475 -0.917 1.00 0.00 C ATOM 0 H MET A 38 -5.559 11.425 3.327 1.00 0.00 H new ATOM 0 HA MET A 38 -5.072 8.908 2.318 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.646 10.888 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.500 11.501 2.199 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.522 10.500 0.069 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.834 9.944 1.582 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.784 7.597 -1.068 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.785 9.350 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.534 8.633 -1.799 1.00 0.00 H new ATOM 574 N HIS A 39 -2.970 9.739 4.690 1.00 0.00 N ATOM 575 CA HIS A 39 -1.925 9.228 5.570 1.00 0.00 C ATOM 576 C HIS A 39 -2.275 7.831 6.074 1.00 0.00 C ATOM 577 O HIS A 39 -1.477 6.901 5.956 1.00 0.00 O ATOM 578 CB HIS A 39 -1.719 10.173 6.754 1.00 0.00 C ATOM 579 CG HIS A 39 -0.540 9.817 7.606 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.660 9.260 8.862 1.00 0.00 N ATOM 581 CD2 HIS A 39 0.788 9.940 7.376 1.00 0.00 C ATOM 582 CE1 HIS A 39 0.543 9.058 9.368 1.00 0.00 C ATOM 583 NE2 HIS A 39 1.440 9.462 8.486 1.00 0.00 N ATOM 0 H HIS A 39 -3.331 10.657 4.952 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.999 9.168 4.998 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.593 11.189 6.380 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.617 10.170 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.249 10.340 6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.757 8.634 10.338 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.452 9.425 8.609 1.00 0.00 H new ATOM 591 N GLU A 40 -3.471 7.692 6.637 1.00 0.00 N ATOM 592 CA GLU A 40 -3.924 6.409 7.161 1.00 0.00 C ATOM 593 C GLU A 40 -3.760 5.307 6.118 1.00 0.00 C ATOM 594 O GLU A 40 -3.179 4.256 6.394 1.00 0.00 O ATOM 595 CB GLU A 40 -5.387 6.499 7.598 1.00 0.00 C ATOM 596 CG GLU A 40 -5.660 7.620 8.586 1.00 0.00 C ATOM 597 CD GLU A 40 -5.923 7.109 9.990 1.00 0.00 C ATOM 598 OE1 GLU A 40 -4.962 6.650 10.643 1.00 0.00 O ATOM 599 OE2 GLU A 40 -7.088 7.167 10.434 1.00 0.00 O ATOM 0 H GLU A 40 -4.143 8.452 6.742 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.309 6.161 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.012 6.643 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.682 5.551 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.807 8.299 8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.520 8.197 8.246 1.00 0.00 H new ATOM 606 N LEU A 41 -4.275 5.555 4.919 1.00 0.00 N ATOM 607 CA LEU A 41 -4.187 4.585 3.833 1.00 0.00 C ATOM 608 C LEU A 41 -2.749 4.112 3.640 1.00 0.00 C ATOM 609 O LEU A 41 -2.467 2.915 3.683 1.00 0.00 O ATOM 610 CB LEU A 41 -4.714 5.195 2.533 1.00 0.00 C ATOM 611 CG LEU A 41 -4.919 4.224 1.370 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.187 2.820 1.889 1.00 0.00 C ATOM 613 CD2 LEU A 41 -6.060 4.692 0.479 1.00 0.00 C ATOM 0 H LEU A 41 -4.758 6.419 4.674 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.801 3.724 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.665 5.684 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.020 5.973 2.213 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.006 4.202 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.331 2.142 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.338 2.484 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.085 2.826 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.191 3.989 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.979 4.744 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.828 5.679 0.079 1.00 0.00 H new ATOM 625 N VAL A 42 -1.843 5.061 3.429 1.00 0.00 N ATOM 626 CA VAL A 42 -0.434 4.743 3.233 1.00 0.00 C ATOM 627 C VAL A 42 0.129 3.981 4.428 1.00 0.00 C ATOM 628 O VAL A 42 0.928 3.058 4.269 1.00 0.00 O ATOM 629 CB VAL A 42 0.404 6.016 3.009 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.840 5.657 2.660 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.219 6.879 1.922 1.00 0.00 C ATOM 0 H VAL A 42 -2.060 6.057 3.389 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.373 4.116 2.344 1.00 0.00 H new ATOM 0 HB VAL A 42 0.415 6.590 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.416 6.569 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.280 5.084 3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.854 5.060 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.386 7.774 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.262 6.315 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.227 7.167 2.219 1.00 0.00 H new ATOM 641 N THR A 43 -0.294 4.374 5.625 1.00 0.00 N ATOM 642 CA THR A 43 0.168 3.729 6.848 1.00 0.00 C ATOM 643 C THR A 43 -0.560 2.410 7.083 1.00 0.00 C ATOM 644 O THR A 43 -0.114 1.574 7.869 1.00 0.00 O ATOM 645 CB THR A 43 -0.034 4.639 8.074 1.00 0.00 C ATOM 646 OG1 THR A 43 1.087 5.517 8.223 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.209 3.812 9.339 1.00 0.00 C ATOM 0 H THR A 43 -0.956 5.136 5.774 1.00 0.00 H new ATOM 0 HA THR A 43 1.233 3.535 6.720 1.00 0.00 H new ATOM 0 HB THR A 43 -0.937 5.228 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.950 6.093 9.004 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.350 4.476 10.191 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.081 3.166 9.234 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.678 3.200 9.499 1.00 0.00 H new ATOM 655 N HIS A 44 -1.684 2.229 6.396 1.00 0.00 N ATOM 656 CA HIS A 44 -2.474 1.010 6.529 1.00 0.00 C ATOM 657 C HIS A 44 -1.818 -0.146 5.781 1.00 0.00 C ATOM 658 O HIS A 44 -1.356 -1.111 6.391 1.00 0.00 O ATOM 659 CB HIS A 44 -3.891 1.236 6.002 1.00 0.00 C ATOM 660 CG HIS A 44 -4.669 -0.030 5.816 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.711 -0.402 6.640 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.554 -1.013 4.892 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.201 -1.558 6.232 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.517 -1.950 5.172 1.00 0.00 N ATOM 0 H HIS A 44 -2.068 2.911 5.742 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.525 0.752 7.587 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.428 1.885 6.694 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.836 1.762 5.049 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -6.050 0.133 7.440 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.838 -1.052 4.085 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.022 -2.092 6.687 1.00 0.00 H new ATOM 672 N VAL A 45 -1.782 -0.043 4.456 1.00 0.00 N ATOM 673 CA VAL A 45 -1.182 -1.080 3.625 1.00 0.00 C ATOM 674 C VAL A 45 0.262 -1.347 4.035 1.00 0.00 C ATOM 675 O VAL A 45 0.860 -2.344 3.629 1.00 0.00 O ATOM 676 CB VAL A 45 -1.218 -0.695 2.134 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.676 -1.828 1.276 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.633 -0.327 1.713 1.00 0.00 C ATOM 0 H VAL A 45 -2.161 0.748 3.935 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.772 -1.985 3.774 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.581 0.177 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.709 -1.537 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.355 -2.040 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.284 -2.720 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.640 -0.058 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.294 -1.179 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.980 0.519 2.306 1.00 0.00 H new ATOM 688 N THR A 46 0.817 -0.450 4.844 1.00 0.00 N ATOM 689 CA THR A 46 2.191 -0.588 5.309 1.00 0.00 C ATOM 690 C THR A 46 2.323 -1.736 6.303 1.00 0.00 C ATOM 691 O THR A 46 3.016 -2.719 6.042 1.00 0.00 O ATOM 692 CB THR A 46 2.693 0.709 5.971 1.00 0.00 C ATOM 693 OG1 THR A 46 3.099 1.646 4.968 1.00 0.00 O ATOM 694 CG2 THR A 46 3.857 0.424 6.908 1.00 0.00 C ATOM 0 H THR A 46 0.336 0.380 5.191 1.00 0.00 H new ATOM 0 HA THR A 46 2.802 -0.799 4.431 1.00 0.00 H new ATOM 0 HB THR A 46 1.875 1.133 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.318 2.147 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.194 1.355 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.536 -0.266 7.688 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.677 -0.022 6.345 1.00 0.00 H new ATOM 702 N MET A 47 1.652 -1.606 7.443 1.00 0.00 N ATOM 703 CA MET A 47 1.693 -2.635 8.475 1.00 0.00 C ATOM 704 C MET A 47 0.535 -3.614 8.313 1.00 0.00 C ATOM 705 O MET A 47 0.721 -4.827 8.397 1.00 0.00 O ATOM 706 CB MET A 47 1.645 -1.995 9.865 1.00 0.00 C ATOM 707 CG MET A 47 0.260 -2.004 10.490 1.00 0.00 C ATOM 708 SD MET A 47 0.246 -1.317 12.157 1.00 0.00 S ATOM 709 CE MET A 47 0.640 0.397 11.820 1.00 0.00 C ATOM 0 H MET A 47 1.074 -0.798 7.675 1.00 0.00 H new ATOM 0 HA MET A 47 2.628 -3.185 8.368 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.335 -2.523 10.523 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.996 -0.966 9.794 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.422 -1.433 9.860 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.114 -3.027 10.520 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.395 1.005 12.691 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.704 0.490 11.601 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.062 0.741 10.963 1.00 0.00 H new ATOM 719 N GLU A 48 -0.660 -3.078 8.081 1.00 0.00 N ATOM 720 CA GLU A 48 -1.847 -3.906 7.909 1.00 0.00 C ATOM 721 C GLU A 48 -1.608 -4.988 6.860 1.00 0.00 C ATOM 722 O GLU A 48 -2.049 -6.128 7.015 1.00 0.00 O ATOM 723 CB GLU A 48 -3.044 -3.043 7.504 1.00 0.00 C ATOM 724 CG GLU A 48 -3.259 -1.839 8.406 1.00 0.00 C ATOM 725 CD GLU A 48 -3.487 -2.228 9.854 1.00 0.00 C ATOM 726 OE1 GLU A 48 -4.458 -2.966 10.124 1.00 0.00 O ATOM 727 OE2 GLU A 48 -2.695 -1.795 10.717 1.00 0.00 O ATOM 0 H GLU A 48 -0.831 -2.075 8.008 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.063 -4.389 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.903 -2.698 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.944 -3.658 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.391 -1.183 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.116 -1.270 8.047 1.00 0.00 H new ATOM 734 N HIS A 49 -0.908 -4.623 5.791 1.00 0.00 N ATOM 735 CA HIS A 49 -0.610 -5.562 4.715 1.00 0.00 C ATOM 736 C HIS A 49 0.886 -5.851 4.645 1.00 0.00 C ATOM 737 O HIS A 49 1.351 -6.892 5.112 1.00 0.00 O ATOM 738 CB HIS A 49 -1.097 -5.008 3.376 1.00 0.00 C ATOM 739 CG HIS A 49 -2.587 -4.892 3.282 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.450 -5.807 3.846 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.367 -3.959 2.687 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.696 -5.444 3.600 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.674 -4.325 2.899 1.00 0.00 N ATOM 0 H HIS A 49 -0.536 -3.684 5.646 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.133 -6.495 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.654 -4.025 3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.740 -5.653 2.574 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.170 -6.635 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.025 -3.089 2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.582 -5.973 3.918 1.00 0.00 H new ATOM 751 N VAL A 50 1.637 -4.924 4.059 1.00 0.00 N ATOM 752 CA VAL A 50 3.081 -5.079 3.928 1.00 0.00 C ATOM 753 C VAL A 50 3.701 -5.568 5.232 1.00 0.00 C ATOM 754 O VAL A 50 4.729 -6.244 5.228 1.00 0.00 O ATOM 755 CB VAL A 50 3.752 -3.756 3.517 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.102 -3.606 4.202 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.901 -3.682 2.005 1.00 0.00 C ATOM 0 H VAL A 50 1.269 -4.057 3.667 1.00 0.00 H new ATOM 0 HA VAL A 50 3.251 -5.821 3.148 1.00 0.00 H new ATOM 0 HB VAL A 50 3.116 -2.931 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.561 -2.665 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.964 -3.611 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.750 -4.434 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.377 -2.740 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.515 -4.513 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.917 -3.740 1.539 1.00 0.00 H new ATOM 767 N GLY A 51 3.069 -5.220 6.349 1.00 0.00 N ATOM 768 CA GLY A 51 3.573 -5.633 7.646 1.00 0.00 C ATOM 769 C GLY A 51 4.997 -5.173 7.887 1.00 0.00 C ATOM 770 O GLY A 51 5.698 -4.784 6.953 1.00 0.00 O ATOM 0 H GLY A 51 2.217 -4.660 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.928 -5.232 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.528 -6.719 7.721 1.00 0.00 H new ATOM 774 N GLY A 52 5.427 -5.216 9.144 1.00 0.00 N ATOM 775 CA GLY A 52 6.774 -4.797 9.483 1.00 0.00 C ATOM 776 C GLY A 52 7.832 -5.606 8.760 1.00 0.00 C ATOM 777 O GLY A 52 7.533 -6.412 7.879 1.00 0.00 O ATOM 0 H GLY A 52 4.866 -5.534 9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.896 -3.742 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.921 -4.892 10.559 1.00 0.00 H new ATOM 781 N PRO A 53 9.103 -5.393 9.132 1.00 0.00 N ATOM 782 CA PRO A 53 10.235 -6.099 8.525 1.00 0.00 C ATOM 783 C PRO A 53 10.269 -7.575 8.904 1.00 0.00 C ATOM 784 O PRO A 53 11.120 -8.327 8.431 1.00 0.00 O ATOM 785 CB PRO A 53 11.455 -5.372 9.097 1.00 0.00 C ATOM 786 CG PRO A 53 10.981 -4.793 10.385 1.00 0.00 C ATOM 787 CD PRO A 53 9.533 -4.447 10.176 1.00 0.00 C ATOM 0 HA PRO A 53 10.186 -6.087 7.436 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.287 -6.058 9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.806 -4.594 8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.098 -5.507 11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.559 -3.908 10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.955 -4.569 11.092 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.409 -3.412 9.856 1.00 0.00 H new ATOM 795 N GLU A 54 9.337 -7.983 9.760 1.00 0.00 N ATOM 796 CA GLU A 54 9.262 -9.371 10.202 1.00 0.00 C ATOM 797 C GLU A 54 8.239 -10.149 9.379 1.00 0.00 C ATOM 798 O GLU A 54 7.820 -11.240 9.764 1.00 0.00 O ATOM 799 CB GLU A 54 8.895 -9.437 11.686 1.00 0.00 C ATOM 800 CG GLU A 54 9.847 -8.663 12.583 1.00 0.00 C ATOM 801 CD GLU A 54 11.058 -9.480 12.990 1.00 0.00 C ATOM 802 OE1 GLU A 54 11.601 -10.204 12.130 1.00 0.00 O ATOM 803 OE2 GLU A 54 11.463 -9.395 14.168 1.00 0.00 O ATOM 0 H GLU A 54 8.624 -7.373 10.161 1.00 0.00 H new ATOM 0 HA GLU A 54 10.242 -9.826 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.886 -9.048 11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.879 -10.480 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.178 -7.763 12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.315 -8.338 13.477 1.00 0.00 H new ATOM 810 N GLN A 55 7.843 -9.579 8.246 1.00 0.00 N ATOM 811 CA GLN A 55 6.869 -10.219 7.369 1.00 0.00 C ATOM 812 C GLN A 55 7.550 -11.210 6.431 1.00 0.00 C ATOM 813 O GLN A 55 8.732 -11.074 6.120 1.00 0.00 O ATOM 814 CB GLN A 55 6.113 -9.166 6.557 1.00 0.00 C ATOM 815 CG GLN A 55 4.612 -9.399 6.506 1.00 0.00 C ATOM 816 CD GLN A 55 4.250 -10.731 5.879 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.530 -11.535 6.473 1.00 0.00 O ATOM 818 NE2 GLN A 55 4.748 -10.973 4.672 1.00 0.00 N ATOM 0 H GLN A 55 8.181 -8.676 7.914 1.00 0.00 H new ATOM 0 HA GLN A 55 6.160 -10.765 7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.305 -8.182 6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.505 -9.153 5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.207 -9.355 7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.142 -8.595 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.340 -10.279 4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.538 -11.853 4.201 1.00 0.00 H new ATOM 827 N ASN A 56 6.794 -12.207 5.982 1.00 0.00 N ATOM 828 CA ASN A 56 7.325 -13.222 5.079 1.00 0.00 C ATOM 829 C ASN A 56 6.631 -13.159 3.722 1.00 0.00 C ATOM 830 O ASN A 56 5.469 -13.540 3.590 1.00 0.00 O ATOM 831 CB ASN A 56 7.155 -14.615 5.688 1.00 0.00 C ATOM 832 CG ASN A 56 8.457 -15.174 6.228 1.00 0.00 C ATOM 833 OD1 ASN A 56 9.035 -14.632 7.170 1.00 0.00 O ATOM 834 ND2 ASN A 56 8.926 -16.263 5.631 1.00 0.00 N ATOM 0 H ASN A 56 5.812 -12.334 6.229 1.00 0.00 H new ATOM 0 HA ASN A 56 8.387 -13.024 4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.421 -14.569 6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.758 -15.293 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.799 -16.684 5.950 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.414 -16.679 4.853 1.00 0.00 H new ATOM 841 N ASN A 57 7.354 -12.677 2.716 1.00 0.00 N ATOM 842 CA ASN A 57 6.808 -12.565 1.368 1.00 0.00 C ATOM 843 C ASN A 57 5.981 -11.291 1.221 1.00 0.00 C ATOM 844 O ASN A 57 4.783 -11.279 1.504 1.00 0.00 O ATOM 845 CB ASN A 57 5.946 -13.786 1.041 1.00 0.00 C ATOM 846 CG ASN A 57 5.994 -14.150 -0.430 1.00 0.00 C ATOM 847 OD1 ASN A 57 4.966 -14.184 -1.107 1.00 0.00 O ATOM 848 ND2 ASN A 57 7.192 -14.424 -0.932 1.00 0.00 N ATOM 0 H ASN A 57 8.318 -12.358 2.809 1.00 0.00 H new ATOM 0 HA ASN A 57 7.642 -12.519 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.284 -14.636 1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.914 -13.587 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.287 -14.675 -1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.017 -14.383 -0.334 1.00 0.00 H new ATOM 855 N HIS A 58 6.630 -10.219 0.775 1.00 0.00 N ATOM 856 CA HIS A 58 5.955 -8.940 0.589 1.00 0.00 C ATOM 857 C HIS A 58 5.582 -8.731 -0.876 1.00 0.00 C ATOM 858 O HIS A 58 6.452 -8.642 -1.742 1.00 0.00 O ATOM 859 CB HIS A 58 6.847 -7.794 1.068 1.00 0.00 C ATOM 860 CG HIS A 58 8.084 -8.254 1.776 1.00 0.00 C ATOM 861 ND1 HIS A 58 8.083 -8.701 3.081 1.00 0.00 N ATOM 862 CD2 HIS A 58 9.367 -8.336 1.353 1.00 0.00 C ATOM 863 CE1 HIS A 58 9.312 -9.036 3.430 1.00 0.00 C ATOM 864 NE2 HIS A 58 10.110 -8.825 2.399 1.00 0.00 N ATOM 0 H HIS A 58 7.622 -10.211 0.536 1.00 0.00 H new ATOM 0 HA HIS A 58 5.040 -8.950 1.181 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.134 -7.185 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.273 -7.153 1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.737 -8.067 0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.613 -9.418 4.394 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.115 -8.997 2.382 1.00 0.00 H new ATOM 872 N VAL A 59 4.282 -8.653 -1.145 1.00 0.00 N ATOM 873 CA VAL A 59 3.794 -8.455 -2.504 1.00 0.00 C ATOM 874 C VAL A 59 2.792 -7.307 -2.566 1.00 0.00 C ATOM 875 O VAL A 59 2.086 -7.032 -1.595 1.00 0.00 O ATOM 876 CB VAL A 59 3.130 -9.731 -3.054 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.777 -9.559 -4.524 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.041 -10.933 -2.854 1.00 0.00 C ATOM 0 H VAL A 59 3.549 -8.724 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 59 4.660 -8.212 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 59 2.207 -9.906 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.309 -10.471 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.085 -8.724 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.684 -9.359 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.557 -11.826 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.981 -10.768 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.239 -11.067 -1.790 1.00 0.00 H new ATOM 888 N CYS A 60 2.734 -6.641 -3.714 1.00 0.00 N ATOM 889 CA CYS A 60 1.819 -5.522 -3.904 1.00 0.00 C ATOM 890 C CYS A 60 0.479 -6.003 -4.454 1.00 0.00 C ATOM 891 O CYS A 60 0.321 -6.186 -5.662 1.00 0.00 O ATOM 892 CB CYS A 60 2.431 -4.490 -4.853 1.00 0.00 C ATOM 893 SG CYS A 60 1.296 -3.145 -5.322 1.00 0.00 S ATOM 0 H CYS A 60 3.310 -6.857 -4.527 1.00 0.00 H new ATOM 0 HA CYS A 60 1.648 -5.056 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.314 -4.058 -4.382 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.768 -4.998 -5.757 1.00 0.00 H new ATOM 898 N TYR A 61 -0.482 -6.207 -3.560 1.00 0.00 N ATOM 899 CA TYR A 61 -1.808 -6.668 -3.955 1.00 0.00 C ATOM 900 C TYR A 61 -2.758 -5.491 -4.152 1.00 0.00 C ATOM 901 O TYR A 61 -2.978 -4.697 -3.238 1.00 0.00 O ATOM 902 CB TYR A 61 -2.373 -7.624 -2.902 1.00 0.00 C ATOM 903 CG TYR A 61 -1.703 -8.979 -2.894 1.00 0.00 C ATOM 904 CD1 TYR A 61 -1.620 -9.743 -4.052 1.00 0.00 C ATOM 905 CD2 TYR A 61 -1.153 -9.497 -1.727 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.010 -10.982 -4.048 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.540 -10.735 -1.714 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.471 -11.474 -2.877 1.00 0.00 C ATOM 909 OH TYR A 61 0.138 -12.707 -2.870 1.00 0.00 O ATOM 0 H TYR A 61 -0.368 -6.060 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.713 -7.197 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.267 -7.170 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.440 -7.757 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.040 -9.361 -4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.206 -8.922 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.955 -11.563 -4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.117 -11.122 -0.799 1.00 0.00 H new ATOM 0 HH TYR A 61 0.465 -12.905 -1.968 1.00 0.00 H new ATOM 919 N TRP A 62 -3.320 -5.388 -5.351 1.00 0.00 N ATOM 920 CA TRP A 62 -4.248 -4.309 -5.670 1.00 0.00 C ATOM 921 C TRP A 62 -5.227 -4.736 -6.757 1.00 0.00 C ATOM 922 O TRP A 62 -5.073 -5.797 -7.361 1.00 0.00 O ATOM 923 CB TRP A 62 -3.480 -3.064 -6.118 1.00 0.00 C ATOM 924 CG TRP A 62 -4.196 -1.783 -5.814 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.657 -0.867 -6.716 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.531 -1.275 -4.517 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.258 0.179 -6.058 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.195 -0.048 -4.709 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.336 -1.739 -3.214 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.662 0.719 -3.645 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.800 -0.977 -2.159 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.457 0.241 -2.379 1.00 0.00 C ATOM 0 H TRP A 62 -3.149 -6.038 -6.118 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.815 -4.073 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.505 -3.052 -5.630 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.298 -3.125 -7.191 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.563 -0.952 -7.789 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.682 0.993 -6.503 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.831 -2.677 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.168 1.658 -3.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.654 -1.326 -1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.808 0.814 -1.533 1.00 0.00 H new ATOM 943 N GLU A 63 -6.234 -3.903 -7.002 1.00 0.00 N ATOM 944 CA GLU A 63 -7.239 -4.198 -8.017 1.00 0.00 C ATOM 945 C GLU A 63 -6.717 -3.863 -9.412 1.00 0.00 C ATOM 946 O GLU A 63 -6.933 -4.613 -10.362 1.00 0.00 O ATOM 947 CB GLU A 63 -8.523 -3.413 -7.739 1.00 0.00 C ATOM 948 CG GLU A 63 -9.401 -3.229 -8.964 1.00 0.00 C ATOM 949 CD GLU A 63 -10.873 -3.438 -8.664 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.374 -2.830 -7.695 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.524 -4.211 -9.398 1.00 0.00 O ATOM 0 H GLU A 63 -6.375 -3.020 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.458 -5.265 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.094 -3.929 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.261 -2.433 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.255 -2.226 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.089 -3.930 -9.739 1.00 0.00 H new ATOM 958 N GLU A 64 -6.030 -2.730 -9.524 1.00 0.00 N ATOM 959 CA GLU A 64 -5.480 -2.295 -10.802 1.00 0.00 C ATOM 960 C GLU A 64 -3.986 -2.008 -10.681 1.00 0.00 C ATOM 961 O GLU A 64 -3.547 -0.868 -10.830 1.00 0.00 O ATOM 962 CB GLU A 64 -6.211 -1.047 -11.299 1.00 0.00 C ATOM 963 CG GLU A 64 -6.945 -0.294 -10.203 1.00 0.00 C ATOM 964 CD GLU A 64 -7.112 1.180 -10.518 1.00 0.00 C ATOM 965 OE1 GLU A 64 -7.572 1.500 -11.633 1.00 0.00 O ATOM 966 OE2 GLU A 64 -6.783 2.013 -9.647 1.00 0.00 O ATOM 0 H GLU A 64 -5.842 -2.098 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.621 -3.101 -11.522 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.491 -0.377 -11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.925 -1.337 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.927 -0.743 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.399 -0.402 -9.266 1.00 0.00 H new ATOM 973 N CYS A 65 -3.209 -3.052 -10.411 1.00 0.00 N ATOM 974 CA CYS A 65 -1.764 -2.915 -10.269 1.00 0.00 C ATOM 975 C CYS A 65 -1.040 -3.522 -11.466 1.00 0.00 C ATOM 976 O CYS A 65 -1.455 -4.537 -12.026 1.00 0.00 O ATOM 977 CB CYS A 65 -1.292 -3.587 -8.978 1.00 0.00 C ATOM 978 SG CYS A 65 0.457 -4.096 -9.002 1.00 0.00 S ATOM 0 H CYS A 65 -3.556 -4.003 -10.286 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.527 -1.852 -10.225 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.448 -2.901 -8.146 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.912 -4.463 -8.789 1.00 0.00 H new ATOM 983 N PRO A 66 0.071 -2.887 -11.870 1.00 0.00 N ATOM 984 CA PRO A 66 0.877 -3.347 -13.004 1.00 0.00 C ATOM 985 C PRO A 66 1.613 -4.648 -12.703 1.00 0.00 C ATOM 986 O PRO A 66 1.664 -5.551 -13.538 1.00 0.00 O ATOM 987 CB PRO A 66 1.875 -2.205 -13.216 1.00 0.00 C ATOM 988 CG PRO A 66 1.981 -1.543 -11.885 1.00 0.00 C ATOM 989 CD PRO A 66 0.625 -1.672 -11.250 1.00 0.00 C ATOM 0 HA PRO A 66 0.263 -3.564 -13.878 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.842 -2.581 -13.549 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.524 -1.509 -13.978 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.746 -2.019 -11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.264 -0.496 -11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.696 -1.771 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.003 -0.800 -11.450 1.00 0.00 H new ATOM 997 N ARG A 67 2.181 -4.737 -11.505 1.00 0.00 N ATOM 998 CA ARG A 67 2.915 -5.928 -11.094 1.00 0.00 C ATOM 999 C ARG A 67 1.961 -7.090 -10.832 1.00 0.00 C ATOM 1000 O ARG A 67 2.384 -8.242 -10.738 1.00 0.00 O ATOM 1001 CB ARG A 67 3.739 -5.638 -9.838 1.00 0.00 C ATOM 1002 CG ARG A 67 4.092 -4.169 -9.668 1.00 0.00 C ATOM 1003 CD ARG A 67 5.508 -3.994 -9.144 1.00 0.00 C ATOM 1004 NE ARG A 67 6.502 -4.091 -10.209 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.747 -3.115 -11.077 1.00 0.00 C ATOM 1006 NH1 ARG A 67 6.074 -1.975 -11.004 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.667 -3.278 -12.019 1.00 0.00 N ATOM 0 H ARG A 67 2.147 -3.999 -10.802 1.00 0.00 H new ATOM 0 HA ARG A 67 3.588 -6.207 -11.905 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.182 -5.973 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.658 -6.222 -9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.991 -3.656 -10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.388 -3.702 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.596 -3.024 -8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.711 -4.753 -8.388 1.00 0.00 H new ATOM 0 HE ARG A 67 7.038 -4.955 -10.291 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.367 -1.846 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.264 -1.227 -11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.187 -4.153 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.854 -2.528 -12.685 1.00 0.00 H new ATOM 1021 N GLU A 68 0.674 -6.779 -10.715 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.338 -7.798 -10.462 1.00 0.00 C ATOM 1023 C GLU A 68 0.019 -8.625 -9.231 1.00 0.00 C ATOM 1024 O GLU A 68 -0.430 -9.761 -9.082 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.488 -8.712 -11.680 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.455 -7.971 -13.006 1.00 0.00 C ATOM 1027 CD GLU A 68 -1.108 -8.754 -14.128 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.422 -9.944 -13.916 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -1.304 -8.178 -15.218 1.00 0.00 O ATOM 0 H GLU A 68 0.308 -5.830 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.287 -7.294 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.311 -9.453 -11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.429 -9.256 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.961 -7.012 -12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.580 -7.756 -13.272 1.00 0.00 H new ATOM 1036 N GLY A 69 0.831 -8.047 -8.351 1.00 0.00 N ATOM 1037 CA GLY A 69 1.235 -8.745 -7.145 1.00 0.00 C ATOM 1038 C GLY A 69 2.558 -9.467 -7.309 1.00 0.00 C ATOM 1039 O GLY A 69 2.643 -10.678 -7.102 1.00 0.00 O ATOM 0 H GLY A 69 1.216 -7.108 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.313 -8.031 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.464 -9.464 -6.869 1.00 0.00 H new ATOM 1043 N LYS A 70 3.594 -8.724 -7.683 1.00 0.00 N ATOM 1044 CA LYS A 70 4.919 -9.299 -7.876 1.00 0.00 C ATOM 1045 C LYS A 70 5.861 -8.886 -6.749 1.00 0.00 C ATOM 1046 O LYS A 70 6.174 -7.706 -6.591 1.00 0.00 O ATOM 1047 CB LYS A 70 5.497 -8.862 -9.224 1.00 0.00 C ATOM 1048 CG LYS A 70 6.832 -8.146 -9.110 1.00 0.00 C ATOM 1049 CD LYS A 70 7.506 -8.005 -10.464 1.00 0.00 C ATOM 1050 CE LYS A 70 8.918 -8.570 -10.445 1.00 0.00 C ATOM 1051 NZ LYS A 70 9.627 -8.336 -11.734 1.00 0.00 N ATOM 0 H LYS A 70 3.541 -7.721 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 70 4.821 -10.385 -7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.618 -9.739 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.783 -8.205 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.680 -7.159 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.485 -8.697 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.916 -8.522 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.538 -6.953 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.482 -8.112 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.878 -9.640 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.586 -8.736 -11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.103 -8.795 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.688 -7.314 -11.916 1.00 0.00 H new ATOM 1065 N SER A 71 6.309 -9.865 -5.969 1.00 0.00 N ATOM 1066 CA SER A 71 7.213 -9.602 -4.856 1.00 0.00 C ATOM 1067 C SER A 71 8.429 -8.806 -5.320 1.00 0.00 C ATOM 1068 O SER A 71 8.924 -8.997 -6.431 1.00 0.00 O ATOM 1069 CB SER A 71 7.664 -10.916 -4.216 1.00 0.00 C ATOM 1070 OG SER A 71 8.668 -11.545 -4.995 1.00 0.00 O ATOM 0 H SER A 71 6.061 -10.847 -6.088 1.00 0.00 H new ATOM 0 HA SER A 71 6.675 -9.011 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.045 -10.724 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.810 -11.584 -4.110 1.00 0.00 H new ATOM 0 HG SER A 71 8.940 -12.382 -4.564 1.00 0.00 H new ATOM 1076 N PHE A 72 8.906 -7.911 -4.460 1.00 0.00 N ATOM 1077 CA PHE A 72 10.063 -7.084 -4.781 1.00 0.00 C ATOM 1078 C PHE A 72 11.346 -7.711 -4.241 1.00 0.00 C ATOM 1079 O PHE A 72 11.331 -8.818 -3.703 1.00 0.00 O ATOM 1080 CB PHE A 72 9.887 -5.678 -4.203 1.00 0.00 C ATOM 1081 CG PHE A 72 8.753 -4.913 -4.823 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.443 -5.327 -4.648 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.998 -3.780 -5.582 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.397 -4.625 -5.217 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.956 -3.074 -6.153 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.654 -3.497 -5.971 1.00 0.00 C ATOM 0 H PHE A 72 8.509 -7.740 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 72 10.141 -7.017 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.719 -5.754 -3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.812 -5.118 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.236 -6.209 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.014 -3.445 -5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.380 -4.958 -5.072 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.160 -2.192 -6.741 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.839 -2.947 -6.417 1.00 0.00 H new ATOM 1096 N LYS A 73 12.455 -6.995 -4.390 1.00 0.00 N ATOM 1097 CA LYS A 73 13.747 -7.478 -3.918 1.00 0.00 C ATOM 1098 C LYS A 73 14.060 -6.928 -2.530 1.00 0.00 C ATOM 1099 O LYS A 73 15.103 -7.233 -1.953 1.00 0.00 O ATOM 1100 CB LYS A 73 14.853 -7.078 -4.898 1.00 0.00 C ATOM 1101 CG LYS A 73 15.367 -8.233 -5.740 1.00 0.00 C ATOM 1102 CD LYS A 73 16.837 -8.062 -6.084 1.00 0.00 C ATOM 1103 CE LYS A 73 17.324 -9.164 -7.013 1.00 0.00 C ATOM 1104 NZ LYS A 73 18.123 -8.620 -8.146 1.00 0.00 N ATOM 0 H LYS A 73 12.485 -6.077 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 73 13.700 -8.565 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.476 -6.297 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.684 -6.649 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.225 -9.169 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.783 -8.303 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.991 -7.092 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.429 -8.068 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.929 -9.874 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.468 -9.715 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.437 -9.401 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.538 -7.962 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.953 -8.116 -7.775 1.00 0.00 H new ATOM 1118 N ALA A 74 13.150 -6.118 -2.001 1.00 0.00 N ATOM 1119 CA ALA A 74 13.328 -5.529 -0.679 1.00 0.00 C ATOM 1120 C ALA A 74 11.985 -5.320 0.014 1.00 0.00 C ATOM 1121 O ALA A 74 10.928 -5.469 -0.600 1.00 0.00 O ATOM 1122 CB ALA A 74 14.080 -4.211 -0.786 1.00 0.00 C ATOM 0 H ALA A 74 12.282 -5.854 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 74 13.915 -6.221 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.206 -3.782 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.059 -4.386 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.515 -3.519 -1.411 1.00 0.00 H new ATOM 1128 N LYS A 75 12.034 -4.975 1.296 1.00 0.00 N ATOM 1129 CA LYS A 75 10.823 -4.744 2.073 1.00 0.00 C ATOM 1130 C LYS A 75 10.219 -3.381 1.749 1.00 0.00 C ATOM 1131 O LYS A 75 9.025 -3.271 1.469 1.00 0.00 O ATOM 1132 CB LYS A 75 11.127 -4.836 3.570 1.00 0.00 C ATOM 1133 CG LYS A 75 10.474 -3.739 4.393 1.00 0.00 C ATOM 1134 CD LYS A 75 8.959 -3.786 4.281 1.00 0.00 C ATOM 1135 CE LYS A 75 8.310 -4.090 5.622 1.00 0.00 C ATOM 1136 NZ LYS A 75 7.996 -2.847 6.381 1.00 0.00 N ATOM 0 H LYS A 75 12.901 -4.849 1.819 1.00 0.00 H new ATOM 0 HA LYS A 75 10.099 -5.515 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.792 -5.805 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.206 -4.794 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.766 -3.844 5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.835 -2.767 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.591 -2.831 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.670 -4.546 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.394 -4.659 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.976 -4.718 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.123 -2.986 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.780 -2.628 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.866 -2.058 5.716 1.00 0.00 H new ATOM 1150 N TYR A 76 11.051 -2.347 1.788 1.00 0.00 N ATOM 1151 CA TYR A 76 10.599 -0.991 1.500 1.00 0.00 C ATOM 1152 C TYR A 76 10.212 -0.847 0.031 1.00 0.00 C ATOM 1153 O TYR A 76 9.271 -0.129 -0.308 1.00 0.00 O ATOM 1154 CB TYR A 76 11.692 0.019 1.853 1.00 0.00 C ATOM 1155 CG TYR A 76 12.688 0.247 0.738 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.483 -0.791 0.268 1.00 0.00 C ATOM 1157 CD2 TYR A 76 12.836 1.500 0.157 1.00 0.00 C ATOM 1158 CE1 TYR A 76 14.396 -0.587 -0.749 1.00 0.00 C ATOM 1159 CE2 TYR A 76 13.744 1.713 -0.862 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.522 0.666 -1.311 1.00 0.00 C ATOM 1161 OH TYR A 76 15.429 0.874 -2.325 1.00 0.00 O ATOM 0 H TYR A 76 12.042 -2.422 2.016 1.00 0.00 H new ATOM 0 HA TYR A 76 9.718 -0.791 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.226 0.970 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.224 -0.328 2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.386 -1.774 0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.230 2.322 0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.008 -1.404 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 76 13.844 2.693 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 76 15.392 1.811 -2.610 1.00 0.00 H new ATOM 1171 N LYS A 77 10.945 -1.535 -0.837 1.00 0.00 N ATOM 1172 CA LYS A 77 10.680 -1.488 -2.270 1.00 0.00 C ATOM 1173 C LYS A 77 9.200 -1.720 -2.558 1.00 0.00 C ATOM 1174 O LYS A 77 8.706 -1.383 -3.634 1.00 0.00 O ATOM 1175 CB LYS A 77 11.523 -2.535 -3.001 1.00 0.00 C ATOM 1176 CG LYS A 77 12.917 -2.051 -3.360 1.00 0.00 C ATOM 1177 CD LYS A 77 13.165 -2.127 -4.857 1.00 0.00 C ATOM 1178 CE LYS A 77 14.462 -1.432 -5.244 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.570 -1.238 -6.716 1.00 0.00 N ATOM 0 H LYS A 77 11.728 -2.133 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 77 10.951 -0.496 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.606 -3.424 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.005 -2.834 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.045 -1.023 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.659 -2.654 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.204 -3.171 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.332 -1.667 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.518 -0.464 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.309 -2.022 -4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.467 -0.761 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.542 -2.163 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.776 -0.654 -7.048 1.00 0.00 H new ATOM 1193 N LEU A 78 8.497 -2.296 -1.589 1.00 0.00 N ATOM 1194 CA LEU A 78 7.072 -2.572 -1.737 1.00 0.00 C ATOM 1195 C LEU A 78 6.244 -1.322 -1.460 1.00 0.00 C ATOM 1196 O LEU A 78 5.509 -0.846 -2.326 1.00 0.00 O ATOM 1197 CB LEU A 78 6.650 -3.698 -0.792 1.00 0.00 C ATOM 1198 CG LEU A 78 5.230 -4.234 -0.980 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.913 -4.399 -2.458 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.058 -5.555 -0.245 1.00 0.00 C ATOM 0 H LEU A 78 8.891 -2.581 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 78 6.892 -2.883 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.348 -4.526 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.750 -3.342 0.233 1.00 0.00 H new ATOM 0 HG LEU A 78 4.531 -3.512 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.899 -4.781 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.995 -3.434 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.617 -5.100 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.042 -5.922 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.767 -6.285 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.242 -5.406 0.819 1.00 0.00 H new ATOM 1212 N VAL A 79 6.369 -0.792 -0.247 1.00 0.00 N ATOM 1213 CA VAL A 79 5.635 0.405 0.144 1.00 0.00 C ATOM 1214 C VAL A 79 5.912 1.558 -0.815 1.00 0.00 C ATOM 1215 O VAL A 79 5.100 2.471 -0.955 1.00 0.00 O ATOM 1216 CB VAL A 79 5.997 0.844 1.575 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.710 2.325 1.769 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.240 0.007 2.596 1.00 0.00 C ATOM 0 H VAL A 79 6.972 -1.173 0.482 1.00 0.00 H new ATOM 0 HA VAL A 79 4.575 0.152 0.107 1.00 0.00 H new ATOM 0 HB VAL A 79 7.064 0.683 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.972 2.616 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.301 2.906 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.650 2.516 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.508 0.330 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.168 0.134 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.502 -1.044 2.471 1.00 0.00 H new ATOM 1228 N ASN A 80 7.066 1.508 -1.473 1.00 0.00 N ATOM 1229 CA ASN A 80 7.452 2.549 -2.419 1.00 0.00 C ATOM 1230 C ASN A 80 6.558 2.518 -3.655 1.00 0.00 C ATOM 1231 O ASN A 80 6.104 3.559 -4.133 1.00 0.00 O ATOM 1232 CB ASN A 80 8.916 2.377 -2.830 1.00 0.00 C ATOM 1233 CG ASN A 80 9.093 2.338 -4.335 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.025 3.368 -5.006 1.00 0.00 O ATOM 1235 ND2 ASN A 80 9.321 1.145 -4.873 1.00 0.00 N ATOM 0 H ASN A 80 7.750 0.758 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 80 7.331 3.515 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.505 3.197 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.306 1.456 -2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.448 1.056 -5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.369 0.318 -4.278 1.00 0.00 H new ATOM 1242 N HIS A 81 6.309 1.318 -4.169 1.00 0.00 N ATOM 1243 CA HIS A 81 5.468 1.151 -5.349 1.00 0.00 C ATOM 1244 C HIS A 81 3.991 1.239 -4.981 1.00 0.00 C ATOM 1245 O HIS A 81 3.148 1.544 -5.825 1.00 0.00 O ATOM 1246 CB HIS A 81 5.759 -0.191 -6.023 1.00 0.00 C ATOM 1247 CG HIS A 81 4.681 -0.634 -6.964 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.356 0.054 -8.113 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.854 -1.705 -6.921 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.374 -0.573 -8.736 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.052 -1.644 -8.034 1.00 0.00 N ATOM 0 H HIS A 81 6.677 0.447 -3.787 1.00 0.00 H new ATOM 0 HA HIS A 81 5.699 1.957 -6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.699 -0.118 -6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.895 -0.952 -5.255 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.804 0.913 -8.433 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.830 -2.465 -6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.913 -0.262 -9.662 1.00 0.00 H new ATOM 1259 N ILE A 82 3.684 0.970 -3.716 1.00 0.00 N ATOM 1260 CA ILE A 82 2.308 1.020 -3.237 1.00 0.00 C ATOM 1261 C ILE A 82 1.740 2.430 -3.344 1.00 0.00 C ATOM 1262 O ILE A 82 0.561 2.614 -3.648 1.00 0.00 O ATOM 1263 CB ILE A 82 2.204 0.546 -1.775 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.445 -0.963 -1.687 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.843 0.905 -1.198 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.653 -1.460 -0.274 1.00 0.00 C ATOM 0 H ILE A 82 4.369 0.715 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 82 1.728 0.349 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 82 2.971 1.052 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.594 -1.485 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.319 -1.219 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.784 0.564 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.707 1.986 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.061 0.423 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.818 -2.537 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.521 -0.966 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.770 -1.236 0.324 1.00 0.00 H new ATOM 1278 N ARG A 83 2.586 3.424 -3.094 1.00 0.00 N ATOM 1279 CA ARG A 83 2.168 4.819 -3.163 1.00 0.00 C ATOM 1280 C ARG A 83 1.516 5.126 -4.508 1.00 0.00 C ATOM 1281 O ARG A 83 0.440 5.721 -4.567 1.00 0.00 O ATOM 1282 CB ARG A 83 3.366 5.744 -2.941 1.00 0.00 C ATOM 1283 CG ARG A 83 4.236 5.343 -1.761 1.00 0.00 C ATOM 1284 CD ARG A 83 5.097 6.502 -1.284 1.00 0.00 C ATOM 1285 NE ARG A 83 4.709 6.961 0.047 1.00 0.00 N ATOM 1286 CZ ARG A 83 5.530 7.602 0.871 1.00 0.00 C ATOM 1287 NH1 ARG A 83 6.778 7.858 0.503 1.00 0.00 N ATOM 1288 NH2 ARG A 83 5.103 7.988 2.067 1.00 0.00 N ATOM 0 H ARG A 83 3.565 3.289 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 83 1.434 4.991 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.977 5.756 -3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.005 6.761 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.604 4.997 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.875 4.507 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.143 6.195 -1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.016 7.328 -1.990 1.00 0.00 H new ATOM 0 HE ARG A 83 3.756 6.779 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.110 7.562 -0.415 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.406 8.350 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.144 7.792 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.734 8.480 2.699 1.00 0.00 H new ATOM 1302 N VAL A 84 2.177 4.716 -5.586 1.00 0.00 N ATOM 1303 CA VAL A 84 1.662 4.946 -6.931 1.00 0.00 C ATOM 1304 C VAL A 84 0.186 4.576 -7.026 1.00 0.00 C ATOM 1305 O VAL A 84 -0.554 5.134 -7.836 1.00 0.00 O ATOM 1306 CB VAL A 84 2.451 4.139 -7.980 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.928 2.714 -8.061 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.381 4.820 -9.338 1.00 0.00 C ATOM 0 H VAL A 84 3.070 4.223 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 84 1.780 6.010 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 84 3.496 4.100 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.497 2.159 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.036 2.231 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.876 2.728 -8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.944 4.237 -10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.341 4.892 -9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.808 5.820 -9.266 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.235 3.630 -6.192 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.624 3.184 -6.181 1.00 0.00 C ATOM 1320 C HIS A 85 -2.467 4.058 -5.257 1.00 0.00 C ATOM 1321 O HIS A 85 -3.579 4.457 -5.606 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.710 1.723 -5.739 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.927 0.788 -6.607 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.552 1.095 -7.898 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.448 -0.455 -6.364 1.00 0.00 C ATOM 1326 CE1 HIS A 85 0.124 0.083 -8.411 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.201 -0.871 -7.500 1.00 0.00 N ATOM 0 H HIS A 85 0.365 3.158 -5.516 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.016 3.272 -7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.350 1.641 -4.713 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.755 1.414 -5.736 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -0.764 1.968 -8.381 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.556 -1.015 -5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.543 0.042 -9.406 1.00 0.00 H new ATOM 1335 N THR A 86 -1.932 4.352 -4.077 1.00 0.00 N ATOM 1336 CA THR A 86 -2.635 5.177 -3.102 1.00 0.00 C ATOM 1337 C THR A 86 -3.049 6.513 -3.709 1.00 0.00 C ATOM 1338 O THR A 86 -4.170 6.976 -3.507 1.00 0.00 O ATOM 1339 CB THR A 86 -1.767 5.438 -1.857 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.536 6.062 -2.240 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.475 4.141 -1.118 1.00 0.00 C ATOM 0 H THR A 86 -1.013 4.031 -3.773 1.00 0.00 H new ATOM 0 HA THR A 86 -3.526 4.625 -2.805 1.00 0.00 H new ATOM 0 HB THR A 86 -2.318 6.101 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.327 5.830 -3.169 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.861 4.351 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.412 3.683 -0.802 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.942 3.457 -1.779 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.135 7.127 -4.455 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.425 8.404 -5.080 1.00 0.00 C ATOM 1351 C GLY A 87 -1.735 9.560 -4.384 1.00 0.00 C ATOM 1352 O GLY A 87 -2.062 10.722 -4.626 1.00 0.00 O ATOM 0 H GLY A 87 -1.200 6.763 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.112 8.373 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.502 8.571 -5.075 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.780 9.242 -3.517 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.044 10.264 -2.782 1.00 0.00 C ATOM 1358 C GLU A 88 1.230 10.658 -3.525 1.00 0.00 C ATOM 1359 O GLU A 88 1.326 10.502 -4.742 1.00 0.00 O ATOM 1360 CB GLU A 88 0.305 9.764 -1.379 1.00 0.00 C ATOM 1361 CG GLU A 88 0.349 10.866 -0.333 1.00 0.00 C ATOM 1362 CD GLU A 88 1.592 10.799 0.532 1.00 0.00 C ATOM 1363 OE1 GLU A 88 1.825 9.742 1.155 1.00 0.00 O ATOM 1364 OE2 GLU A 88 2.332 11.804 0.587 1.00 0.00 O ATOM 0 H GLU A 88 -0.497 8.285 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.682 11.144 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.428 9.016 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.274 9.266 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.308 11.835 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.535 10.796 0.301 1.00 0.00 H new ATOM 1371 N LYS A 89 2.206 11.169 -2.783 1.00 0.00 N ATOM 1372 CA LYS A 89 3.475 11.584 -3.368 1.00 0.00 C ATOM 1373 C LYS A 89 4.250 10.382 -3.898 1.00 0.00 C ATOM 1374 O LYS A 89 3.972 9.241 -3.529 1.00 0.00 O ATOM 1375 CB LYS A 89 4.318 12.331 -2.332 1.00 0.00 C ATOM 1376 CG LYS A 89 4.555 13.791 -2.679 1.00 0.00 C ATOM 1377 CD LYS A 89 5.918 14.264 -2.202 1.00 0.00 C ATOM 1378 CE LYS A 89 6.505 15.308 -3.139 1.00 0.00 C ATOM 1379 NZ LYS A 89 7.174 14.686 -4.315 1.00 0.00 N ATOM 0 H LYS A 89 2.142 11.306 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 89 3.260 12.252 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.823 12.272 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.280 11.830 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.479 13.926 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.777 14.405 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.829 14.682 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.596 13.413 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.713 15.974 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.224 15.921 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.561 15.431 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.946 14.070 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.483 14.122 -4.849 1.00 0.00 H new ATOM 1393 N SER A 90 5.224 10.646 -4.763 1.00 0.00 N ATOM 1394 CA SER A 90 6.037 9.585 -5.345 1.00 0.00 C ATOM 1395 C SER A 90 7.187 10.167 -6.161 1.00 0.00 C ATOM 1396 O SER A 90 7.045 11.209 -6.800 1.00 0.00 O ATOM 1397 CB SER A 90 5.177 8.680 -6.229 1.00 0.00 C ATOM 1398 OG SER A 90 5.282 7.325 -5.828 1.00 0.00 O ATOM 0 H SER A 90 5.469 11.585 -5.076 1.00 0.00 H new ATOM 0 HA SER A 90 6.455 8.994 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.136 8.998 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.489 8.780 -7.269 1.00 0.00 H new ATOM 0 HG SER A 90 4.722 6.768 -6.408 1.00 0.00 H new ATOM 1404 N GLY A 91 8.329 9.486 -6.134 1.00 0.00 N ATOM 1405 CA GLY A 91 9.487 9.950 -6.875 1.00 0.00 C ATOM 1406 C GLY A 91 10.190 8.829 -7.614 1.00 0.00 C ATOM 1407 O GLY A 91 9.675 7.717 -7.735 1.00 0.00 O ATOM 0 H GLY A 91 8.472 8.621 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.176 10.713 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.188 10.424 -6.188 1.00 0.00 H new ATOM 1411 N PRO A 92 11.396 9.117 -8.125 1.00 0.00 N ATOM 1412 CA PRO A 92 12.197 8.137 -8.866 1.00 0.00 C ATOM 1413 C PRO A 92 12.734 7.029 -7.967 1.00 0.00 C ATOM 1414 O PRO A 92 13.011 7.252 -6.789 1.00 0.00 O ATOM 1415 CB PRO A 92 13.348 8.974 -9.430 1.00 0.00 C ATOM 1416 CG PRO A 92 13.467 10.131 -8.500 1.00 0.00 C ATOM 1417 CD PRO A 92 12.072 10.421 -8.019 1.00 0.00 C ATOM 0 HA PRO A 92 11.611 7.624 -9.629 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.274 8.400 -9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.136 9.304 -10.447 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.126 9.894 -7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.893 10.997 -9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.070 10.793 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.584 11.178 -8.634 1.00 0.00 H new ATOM 1425 N SER A 93 12.880 5.834 -8.532 1.00 0.00 N ATOM 1426 CA SER A 93 13.382 4.690 -7.780 1.00 0.00 C ATOM 1427 C SER A 93 14.852 4.879 -7.420 1.00 0.00 C ATOM 1428 O SER A 93 15.411 5.962 -7.592 1.00 0.00 O ATOM 1429 CB SER A 93 13.204 3.404 -8.589 1.00 0.00 C ATOM 1430 OG SER A 93 12.629 3.673 -9.856 1.00 0.00 O ATOM 0 H SER A 93 12.658 5.633 -9.507 1.00 0.00 H new ATOM 0 HA SER A 93 12.808 4.613 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.170 2.917 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.570 2.709 -8.038 1.00 0.00 H new ATOM 0 HG SER A 93 12.527 2.835 -10.354 1.00 0.00 H new ATOM 1436 N SER A 94 15.474 3.816 -6.919 1.00 0.00 N ATOM 1437 CA SER A 94 16.878 3.864 -6.531 1.00 0.00 C ATOM 1438 C SER A 94 17.766 4.150 -7.738 1.00 0.00 C ATOM 1439 O SER A 94 17.302 4.658 -8.758 1.00 0.00 O ATOM 1440 CB SER A 94 17.295 2.544 -5.879 1.00 0.00 C ATOM 1441 OG SER A 94 17.520 1.542 -6.855 1.00 0.00 O ATOM 0 H SER A 94 15.027 2.911 -6.772 1.00 0.00 H new ATOM 0 HA SER A 94 17.002 4.672 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.201 2.695 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.519 2.215 -5.188 1.00 0.00 H new ATOM 0 HG SER A 94 17.787 0.709 -6.413 1.00 0.00 H new ATOM 1447 N GLY A 95 19.048 3.819 -7.614 1.00 0.00 N ATOM 1448 CA GLY A 95 19.982 4.047 -8.701 1.00 0.00 C ATOM 1449 C GLY A 95 20.304 2.779 -9.465 1.00 0.00 C ATOM 1450 O GLY A 95 19.851 2.631 -10.599 1.00 0.00 O ATOM 0 H GLY A 95 19.456 3.397 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 95 19.564 4.784 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 95 20.903 4.470 -8.301 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -5.908 -2.722 3.402 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.412 -2.508 -7.533 1.00 0.00 ZN