USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -145:sc= 1.25 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.395 X(o=-1.2,f=-1.5) USER MOD Set 1.3: A 85 CYS SG : rot 38:sc= -0.937 USER MOD Set 1.4: A 88 CYS SG : rot -130:sc= 1.55 USER MOD Set 1.5: A 90 THR OG1 : rot 104:sc= 0.0779 USER MOD Set 1.6: A 92 TYR OH : rot -8:sc= -2.77 USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.717 USER MOD Set 2.2: A 31 CYS SG : rot -68:sc= 0.183 USER MOD Set 2.3: A 39 SER OG : rot 105:sc= 1.1 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -4.11! C(o=-2.1!,f=-10!) USER MOD Set 2.5: A 69 CYS SG : rot 170:sc= 0.0222 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -42:sc= 0.987 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.13 USER MOD Single : A 47 SER OG : rot -120:sc= -0.748 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -156:sc= -7.46! (180deg=-8.43!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 144:sc= -0.304 (180deg=-1.48) USER MOD Single : A 74 TYR OH : rot -7:sc= 0.468 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -30:sc= 0.319 USER MOD Single : A 84 GLN : amide:sc=-0.00799 K(o=-0.008,f=-0.66) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00457) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.403 8.361 -0.872 1.00 0.00 N ATOM 67 CA GLU A 8 -2.383 7.716 -1.690 1.00 0.00 C ATOM 68 C GLU A 8 -2.649 6.218 -1.809 1.00 0.00 C ATOM 69 O GLU A 8 -3.228 5.592 -0.921 1.00 0.00 O ATOM 70 CB GLU A 8 -0.994 7.952 -1.095 1.00 0.00 C ATOM 71 CG GLU A 8 -0.479 9.367 -1.296 1.00 0.00 C ATOM 72 CD GLU A 8 0.260 9.539 -2.609 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.777 8.530 -3.134 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.321 10.680 -3.111 1.00 0.00 O ATOM 0 HA GLU A 8 -2.422 8.156 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.023 7.733 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.291 7.251 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.317 10.063 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.186 9.628 -0.473 1.00 0.00 H new ATOM 81 N PRO A 9 -2.217 5.628 -2.934 1.00 0.00 N ATOM 82 CA PRO A 9 -2.397 4.197 -3.196 1.00 0.00 C ATOM 83 C PRO A 9 -1.531 3.328 -2.291 1.00 0.00 C ATOM 84 O PRO A 9 -1.895 2.198 -1.967 1.00 0.00 O ATOM 85 CB PRO A 9 -1.963 4.047 -4.657 1.00 0.00 C ATOM 86 CG PRO A 9 -1.023 5.179 -4.891 1.00 0.00 C ATOM 87 CD PRO A 9 -1.519 6.312 -4.035 1.00 0.00 C ATOM 0 HA PRO A 9 -3.420 3.873 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.477 3.087 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.818 4.097 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.004 4.902 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.008 5.463 -5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.698 6.928 -3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.189 6.970 -4.588 1.00 0.00 H new ATOM 95 N GLU A 10 -0.383 3.863 -1.886 1.00 0.00 N ATOM 96 CA GLU A 10 0.534 3.135 -1.018 1.00 0.00 C ATOM 97 C GLU A 10 -0.196 2.577 0.200 1.00 0.00 C ATOM 98 O GLU A 10 -0.126 1.382 0.484 1.00 0.00 O ATOM 99 CB GLU A 10 1.678 4.046 -0.568 1.00 0.00 C ATOM 100 CG GLU A 10 2.635 3.385 0.409 1.00 0.00 C ATOM 101 CD GLU A 10 2.224 3.585 1.855 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.601 4.625 2.156 1.00 0.00 O ATOM 103 OE2 GLU A 10 2.526 2.702 2.685 1.00 0.00 O ATOM 0 H GLU A 10 -0.067 4.797 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 10 0.946 2.301 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.236 4.374 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.259 4.939 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.687 2.318 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.636 3.789 0.261 1.00 0.00 H new ATOM 110 N GLN A 11 -0.895 3.452 0.915 1.00 0.00 N ATOM 111 CA GLN A 11 -1.637 3.048 2.103 1.00 0.00 C ATOM 112 C GLN A 11 -2.691 2.002 1.757 1.00 0.00 C ATOM 113 O GLN A 11 -2.712 0.913 2.331 1.00 0.00 O ATOM 114 CB GLN A 11 -2.302 4.263 2.753 1.00 0.00 C ATOM 115 CG GLN A 11 -1.318 5.208 3.423 1.00 0.00 C ATOM 116 CD GLN A 11 -1.985 6.132 4.424 1.00 0.00 C ATOM 117 OE1 GLN A 11 -3.204 6.305 4.409 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.188 6.731 5.300 1.00 0.00 N ATOM 0 H GLN A 11 -0.963 4.445 0.692 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.932 2.608 2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.860 4.811 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.024 3.919 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.548 4.626 3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.817 5.805 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.183 6.559 5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.581 7.364 5.997 1.00 0.00 H new ATOM 127 N VAL A 12 -3.566 2.339 0.814 1.00 0.00 N ATOM 128 CA VAL A 12 -4.623 1.429 0.390 1.00 0.00 C ATOM 129 C VAL A 12 -4.147 -0.019 0.424 1.00 0.00 C ATOM 130 O VAL A 12 -4.866 -0.909 0.879 1.00 0.00 O ATOM 131 CB VAL A 12 -5.115 1.763 -1.030 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.149 0.746 -1.490 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.685 3.173 -1.078 1.00 0.00 C ATOM 0 H VAL A 12 -3.563 3.236 0.329 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.449 1.554 1.091 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.265 1.715 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.485 0.998 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.704 -0.249 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.000 0.759 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.028 3.393 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.523 3.250 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.913 3.888 -0.794 1.00 0.00 H new ATOM 143 N ILE A 13 -2.931 -0.248 -0.060 1.00 0.00 N ATOM 144 CA ILE A 13 -2.358 -1.588 -0.085 1.00 0.00 C ATOM 145 C ILE A 13 -2.195 -2.142 1.327 1.00 0.00 C ATOM 146 O ILE A 13 -2.791 -3.160 1.678 1.00 0.00 O ATOM 147 CB ILE A 13 -0.989 -1.603 -0.791 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.139 -1.164 -2.249 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.367 -2.989 -0.710 1.00 0.00 C ATOM 150 CD1 ILE A 13 -1.758 -2.221 -3.137 1.00 0.00 C ATOM 0 H ILE A 13 -2.323 0.478 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.052 -2.217 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.327 -0.900 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.752 -0.264 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.158 -0.899 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.600 -2.984 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.231 -3.266 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.024 -3.712 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.834 -1.841 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.134 -3.115 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.753 -2.470 -2.767 1.00 0.00 H new ATOM 162 N ARG A 14 -1.385 -1.463 2.133 1.00 0.00 N ATOM 163 CA ARG A 14 -1.143 -1.886 3.507 1.00 0.00 C ATOM 164 C ARG A 14 -2.452 -1.969 4.288 1.00 0.00 C ATOM 165 O ARG A 14 -2.514 -2.584 5.353 1.00 0.00 O ATOM 166 CB ARG A 14 -0.184 -0.917 4.200 1.00 0.00 C ATOM 167 CG ARG A 14 1.262 -1.069 3.755 1.00 0.00 C ATOM 168 CD ARG A 14 1.459 -0.578 2.329 1.00 0.00 C ATOM 169 NE ARG A 14 2.793 -0.020 2.123 1.00 0.00 N ATOM 170 CZ ARG A 14 3.909 -0.737 2.196 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.851 -2.033 2.469 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.086 -0.158 1.995 1.00 0.00 N ATOM 0 H ARG A 14 -0.885 -0.617 1.858 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.691 -2.877 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.510 0.105 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.242 -1.070 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.912 -0.509 4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.558 -2.116 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.300 -1.404 1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.710 0.179 2.099 1.00 0.00 H new ATOM 0 HE ARG A 14 2.872 0.975 1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.948 -2.482 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.709 -2.581 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.135 0.839 1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.942 -0.710 2.051 1.00 0.00 H new ATOM 186 N LYS A 15 -3.495 -1.346 3.751 1.00 0.00 N ATOM 187 CA LYS A 15 -4.803 -1.349 4.396 1.00 0.00 C ATOM 188 C LYS A 15 -5.568 -2.628 4.069 1.00 0.00 C ATOM 189 O LYS A 15 -6.382 -3.096 4.865 1.00 0.00 O ATOM 190 CB LYS A 15 -5.615 -0.130 3.954 1.00 0.00 C ATOM 191 CG LYS A 15 -7.089 -0.219 4.311 1.00 0.00 C ATOM 192 CD LYS A 15 -7.850 1.014 3.851 1.00 0.00 C ATOM 193 CE LYS A 15 -8.127 0.972 2.356 1.00 0.00 C ATOM 194 NZ LYS A 15 -8.691 2.258 1.861 1.00 0.00 N ATOM 0 H LYS A 15 -3.460 -0.832 2.870 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.649 -1.304 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.192 0.764 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.518 -0.011 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.522 -1.107 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.197 -0.333 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.792 1.086 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.275 1.908 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.203 0.751 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.823 0.162 2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.866 2.189 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.586 2.457 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.016 3.027 2.046 1.00 0.00 H new ATOM 208 N TYR A 16 -5.299 -3.189 2.895 1.00 0.00 N ATOM 209 CA TYR A 16 -5.963 -4.413 2.464 1.00 0.00 C ATOM 210 C TYR A 16 -5.015 -5.606 2.549 1.00 0.00 C ATOM 211 O TYR A 16 -5.387 -6.734 2.225 1.00 0.00 O ATOM 212 CB TYR A 16 -6.481 -4.260 1.032 1.00 0.00 C ATOM 213 CG TYR A 16 -7.624 -3.279 0.904 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.656 -3.259 1.833 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.671 -2.371 -0.147 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.703 -2.365 1.719 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.713 -1.472 -0.269 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.727 -1.473 0.667 1.00 0.00 C ATOM 219 OH TYR A 16 -10.767 -0.580 0.550 1.00 0.00 O ATOM 0 H TYR A 16 -4.626 -2.816 2.225 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.806 -4.593 3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.661 -3.936 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.806 -5.234 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.640 -3.955 2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.879 -2.368 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.498 -2.364 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.734 -0.773 -1.092 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.632 -0.022 -0.244 1.00 0.00 H new ATOM 229 N THR A 17 -3.787 -5.347 2.988 1.00 0.00 N ATOM 230 CA THR A 17 -2.785 -6.397 3.116 1.00 0.00 C ATOM 231 C THR A 17 -2.021 -6.271 4.429 1.00 0.00 C ATOM 232 O THR A 17 -1.794 -5.166 4.922 1.00 0.00 O ATOM 233 CB THR A 17 -1.782 -6.362 1.947 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.015 -5.154 1.996 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.504 -6.456 0.612 1.00 0.00 C ATOM 0 H THR A 17 -3.463 -4.419 3.261 1.00 0.00 H new ATOM 0 HA THR A 17 -3.319 -7.347 3.099 1.00 0.00 H new ATOM 0 HB THR A 17 -1.116 -7.219 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.603 -4.402 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.775 -6.429 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.064 -7.390 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.191 -5.616 0.510 1.00 0.00 H new ATOM 243 N GLU A 18 -1.628 -7.410 4.992 1.00 0.00 N ATOM 244 CA GLU A 18 -0.889 -7.425 6.249 1.00 0.00 C ATOM 245 C GLU A 18 0.520 -7.974 6.046 1.00 0.00 C ATOM 246 O GLU A 18 0.706 -9.174 5.844 1.00 0.00 O ATOM 247 CB GLU A 18 -1.631 -8.264 7.291 1.00 0.00 C ATOM 248 CG GLU A 18 -1.415 -7.791 8.719 1.00 0.00 C ATOM 249 CD GLU A 18 -2.530 -8.223 9.651 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.693 -9.445 9.855 1.00 0.00 O ATOM 251 OE2 GLU A 18 -3.239 -7.340 10.178 1.00 0.00 O ATOM 0 H GLU A 18 -1.809 -8.333 4.598 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.811 -6.399 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.698 -8.245 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.307 -9.301 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.466 -8.182 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.338 -6.704 8.730 1.00 0.00 H new ATOM 258 N GLU A 19 1.508 -7.087 6.100 1.00 0.00 N ATOM 259 CA GLU A 19 2.900 -7.483 5.921 1.00 0.00 C ATOM 260 C GLU A 19 3.261 -8.638 6.850 1.00 0.00 C ATOM 261 O GLU A 19 2.760 -8.728 7.972 1.00 0.00 O ATOM 262 CB GLU A 19 3.829 -6.296 6.181 1.00 0.00 C ATOM 263 CG GLU A 19 5.297 -6.607 5.942 1.00 0.00 C ATOM 264 CD GLU A 19 6.218 -5.793 6.829 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.767 -5.356 7.909 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.389 -5.593 6.445 1.00 0.00 O ATOM 0 H GLU A 19 1.371 -6.090 6.266 1.00 0.00 H new ATOM 0 HA GLU A 19 3.026 -7.815 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.533 -5.467 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.700 -5.963 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.473 -7.668 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.540 -6.413 4.897 1.00 0.00 H new ATOM 273 N LEU A 20 4.133 -9.521 6.376 1.00 0.00 N ATOM 274 CA LEU A 20 4.562 -10.672 7.164 1.00 0.00 C ATOM 275 C LEU A 20 6.058 -10.604 7.457 1.00 0.00 C ATOM 276 O LEU A 20 6.850 -10.196 6.608 1.00 0.00 O ATOM 277 CB LEU A 20 4.234 -11.971 6.425 1.00 0.00 C ATOM 278 CG LEU A 20 2.823 -12.075 5.846 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.618 -13.427 5.180 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.782 -11.852 6.934 1.00 0.00 C ATOM 0 H LEU A 20 4.557 -9.462 5.450 1.00 0.00 H new ATOM 0 HA LEU A 20 4.024 -10.654 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.949 -12.093 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.386 -12.804 7.111 1.00 0.00 H new ATOM 0 HG LEU A 20 2.703 -11.298 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.608 -13.483 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.341 -13.549 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.758 -14.220 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.784 -11.930 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.901 -12.606 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.914 -10.860 7.367 1.00 0.00 H new ATOM 292 N LYS A 21 6.437 -11.008 8.664 1.00 0.00 N ATOM 293 CA LYS A 21 7.838 -10.997 9.070 1.00 0.00 C ATOM 294 C LYS A 21 8.728 -11.559 7.967 1.00 0.00 C ATOM 295 O LYS A 21 9.897 -11.189 7.850 1.00 0.00 O ATOM 296 CB LYS A 21 8.024 -11.810 10.354 1.00 0.00 C ATOM 297 CG LYS A 21 7.657 -11.048 11.615 1.00 0.00 C ATOM 298 CD LYS A 21 8.830 -10.235 12.137 1.00 0.00 C ATOM 299 CE LYS A 21 8.375 -9.167 13.119 1.00 0.00 C ATOM 300 NZ LYS A 21 9.389 -8.087 13.274 1.00 0.00 N ATOM 0 H LYS A 21 5.794 -11.347 9.379 1.00 0.00 H new ATOM 0 HA LYS A 21 8.129 -9.963 9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.415 -12.712 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.063 -12.131 10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.817 -10.385 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.329 -11.749 12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.545 -10.898 12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.349 -9.765 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.435 -8.736 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.181 -9.625 14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.041 -7.379 13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.279 -8.494 13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.556 -7.633 12.353 1.00 0.00 H new ATOM 314 N VAL A 22 8.168 -12.452 7.157 1.00 0.00 N ATOM 315 CA VAL A 22 8.911 -13.062 6.061 1.00 0.00 C ATOM 316 C VAL A 22 7.970 -13.716 5.056 1.00 0.00 C ATOM 317 O VAL A 22 7.003 -14.377 5.435 1.00 0.00 O ATOM 318 CB VAL A 22 9.907 -14.117 6.577 1.00 0.00 C ATOM 319 CG1 VAL A 22 9.185 -15.182 7.389 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.668 -14.744 5.418 1.00 0.00 C ATOM 0 H VAL A 22 7.202 -12.769 7.239 1.00 0.00 H new ATOM 0 HA VAL A 22 9.464 -12.261 5.569 1.00 0.00 H new ATOM 0 HB VAL A 22 10.627 -13.622 7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.905 -15.919 7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.690 -14.717 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.441 -15.675 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.367 -15.487 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.964 -15.225 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.218 -13.970 4.883 1.00 0.00 H new ATOM 330 N ALA A 23 8.259 -13.528 3.773 1.00 0.00 N ATOM 331 CA ALA A 23 7.440 -14.102 2.713 1.00 0.00 C ATOM 332 C ALA A 23 7.137 -15.571 2.988 1.00 0.00 C ATOM 333 O ALA A 23 8.007 -16.346 3.383 1.00 0.00 O ATOM 334 CB ALA A 23 8.134 -13.947 1.367 1.00 0.00 C ATOM 0 H ALA A 23 9.055 -12.982 3.442 1.00 0.00 H new ATOM 0 HA ALA A 23 6.494 -13.562 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.511 -14.380 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.294 -12.889 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.095 -14.461 1.392 1.00 0.00 H new ATOM 340 N PRO A 24 5.872 -15.964 2.775 1.00 0.00 N ATOM 341 CA PRO A 24 5.425 -17.343 2.994 1.00 0.00 C ATOM 342 C PRO A 24 6.002 -18.310 1.966 1.00 0.00 C ATOM 343 O PRO A 24 6.959 -17.985 1.264 1.00 0.00 O ATOM 344 CB PRO A 24 3.904 -17.250 2.846 1.00 0.00 C ATOM 345 CG PRO A 24 3.680 -16.063 1.974 1.00 0.00 C ATOM 346 CD PRO A 24 4.782 -15.094 2.304 1.00 0.00 C ATOM 0 HA PRO A 24 5.751 -17.728 3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.494 -18.154 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.419 -17.127 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.708 -16.342 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.702 -15.620 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.080 -14.513 1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.475 -14.383 3.071 1.00 0.00 H new ATOM 354 N GLU A 25 5.413 -19.499 1.883 1.00 0.00 N ATOM 355 CA GLU A 25 5.871 -20.513 0.940 1.00 0.00 C ATOM 356 C GLU A 25 5.045 -20.475 -0.343 1.00 0.00 C ATOM 357 O GLU A 25 5.136 -21.374 -1.178 1.00 0.00 O ATOM 358 CB GLU A 25 5.788 -21.904 1.572 1.00 0.00 C ATOM 359 CG GLU A 25 4.372 -22.448 1.662 1.00 0.00 C ATOM 360 CD GLU A 25 3.717 -22.150 2.997 1.00 0.00 C ATOM 361 OE1 GLU A 25 3.907 -22.946 3.941 1.00 0.00 O ATOM 362 OE2 GLU A 25 3.014 -21.123 3.098 1.00 0.00 O ATOM 0 H GLU A 25 4.619 -19.783 2.456 1.00 0.00 H new ATOM 0 HA GLU A 25 6.910 -20.297 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.397 -22.595 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.218 -21.865 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.770 -22.018 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.390 -23.526 1.503 1.00 0.00 H new ATOM 369 N GLU A 26 4.239 -19.428 -0.490 1.00 0.00 N ATOM 370 CA GLU A 26 3.396 -19.274 -1.670 1.00 0.00 C ATOM 371 C GLU A 26 4.172 -18.623 -2.812 1.00 0.00 C ATOM 372 O GLU A 26 5.356 -18.315 -2.675 1.00 0.00 O ATOM 373 CB GLU A 26 2.161 -18.436 -1.336 1.00 0.00 C ATOM 374 CG GLU A 26 0.958 -19.265 -0.917 1.00 0.00 C ATOM 375 CD GLU A 26 1.002 -19.658 0.547 1.00 0.00 C ATOM 376 OE1 GLU A 26 2.091 -20.036 1.028 1.00 0.00 O ATOM 377 OE2 GLU A 26 -0.053 -19.588 1.212 1.00 0.00 O ATOM 0 H GLU A 26 4.152 -18.675 0.192 1.00 0.00 H new ATOM 0 HA GLU A 26 3.077 -20.266 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.410 -17.741 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.893 -17.836 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.047 -18.699 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.911 -20.165 -1.530 1.00 0.00 H new ATOM 384 N ASP A 27 3.496 -18.419 -3.937 1.00 0.00 N ATOM 385 CA ASP A 27 4.121 -17.804 -5.103 1.00 0.00 C ATOM 386 C ASP A 27 3.237 -16.699 -5.674 1.00 0.00 C ATOM 387 O ASP A 27 2.011 -16.751 -5.565 1.00 0.00 O ATOM 388 CB ASP A 27 4.396 -18.859 -6.176 1.00 0.00 C ATOM 389 CG ASP A 27 4.726 -20.215 -5.583 1.00 0.00 C ATOM 390 OD1 ASP A 27 5.575 -20.273 -4.669 1.00 0.00 O ATOM 391 OD2 ASP A 27 4.134 -21.218 -6.033 1.00 0.00 O ATOM 0 H ASP A 27 2.516 -18.670 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 27 5.066 -17.362 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.524 -18.951 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.224 -18.528 -6.803 1.00 0.00 H new ATOM 396 N CYS A 28 3.867 -15.700 -6.282 1.00 0.00 N ATOM 397 CA CYS A 28 3.139 -14.581 -6.868 1.00 0.00 C ATOM 398 C CYS A 28 2.818 -14.851 -8.335 1.00 0.00 C ATOM 399 O CYS A 28 3.718 -15.031 -9.156 1.00 0.00 O ATOM 400 CB CYS A 28 3.955 -13.293 -6.742 1.00 0.00 C ATOM 401 SG CYS A 28 3.237 -11.868 -7.622 1.00 0.00 S ATOM 0 H CYS A 28 4.880 -15.642 -6.382 1.00 0.00 H new ATOM 0 HA CYS A 28 2.202 -14.464 -6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.056 -13.041 -5.686 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.960 -13.473 -7.124 1.00 0.00 H new ATOM 0 HG CYS A 28 2.983 -10.917 -6.773 1.00 0.00 H new ATOM 406 N ILE A 29 1.529 -14.876 -8.657 1.00 0.00 N ATOM 407 CA ILE A 29 1.088 -15.122 -10.025 1.00 0.00 C ATOM 408 C ILE A 29 1.129 -13.843 -10.854 1.00 0.00 C ATOM 409 O ILE A 29 1.245 -13.890 -12.079 1.00 0.00 O ATOM 410 CB ILE A 29 -0.339 -15.699 -10.061 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.321 -14.731 -9.399 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.380 -17.056 -9.374 1.00 0.00 C ATOM 413 CD1 ILE A 29 -1.972 -13.771 -10.371 1.00 0.00 C ATOM 0 H ILE A 29 0.772 -14.729 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 29 1.776 -15.851 -10.452 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.635 -15.832 -11.102 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.097 -15.304 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.795 -14.160 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.396 -17.450 -9.408 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.294 -17.743 -9.886 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.067 -16.948 -8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.655 -13.115 -9.832 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.204 -13.172 -10.860 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.526 -14.334 -11.122 1.00 0.00 H new ATOM 425 N ILE A 30 1.035 -12.703 -10.178 1.00 0.00 N ATOM 426 CA ILE A 30 1.064 -11.411 -10.853 1.00 0.00 C ATOM 427 C ILE A 30 2.341 -11.247 -11.670 1.00 0.00 C ATOM 428 O ILE A 30 2.300 -10.828 -12.827 1.00 0.00 O ATOM 429 CB ILE A 30 0.958 -10.249 -9.847 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.429 -10.229 -9.202 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.247 -8.924 -10.537 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.518 -9.330 -7.989 1.00 0.00 C ATOM 0 H ILE A 30 0.938 -12.648 -9.164 1.00 0.00 H new ATOM 0 HA ILE A 30 0.203 -11.383 -11.520 1.00 0.00 H new ATOM 0 HB ILE A 30 1.700 -10.397 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.160 -9.902 -9.941 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.701 -11.244 -8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.168 -8.112 -9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.254 -8.943 -10.953 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.526 -8.766 -11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.529 -9.365 -7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.189 -9.670 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.278 -8.306 -8.276 1.00 0.00 H new ATOM 444 N CYS A 31 3.474 -11.581 -11.061 1.00 0.00 N ATOM 445 CA CYS A 31 4.764 -11.472 -11.732 1.00 0.00 C ATOM 446 C CYS A 31 5.341 -12.853 -12.029 1.00 0.00 C ATOM 447 O CYS A 31 6.380 -12.976 -12.676 1.00 0.00 O ATOM 448 CB CYS A 31 5.743 -10.671 -10.872 1.00 0.00 C ATOM 449 SG CYS A 31 6.182 -11.478 -9.299 1.00 0.00 S ATOM 0 H CYS A 31 3.525 -11.929 -10.104 1.00 0.00 H new ATOM 0 HA CYS A 31 4.612 -10.951 -12.677 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.654 -10.496 -11.445 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.308 -9.695 -10.658 1.00 0.00 H new ATOM 0 HG CYS A 31 5.140 -11.511 -8.522 1.00 0.00 H new ATOM 454 N MET A 32 4.659 -13.888 -11.550 1.00 0.00 N ATOM 455 CA MET A 32 5.103 -15.261 -11.765 1.00 0.00 C ATOM 456 C MET A 32 6.479 -15.489 -11.149 1.00 0.00 C ATOM 457 O MET A 32 7.402 -15.947 -11.823 1.00 0.00 O ATOM 458 CB MET A 32 5.142 -15.578 -13.261 1.00 0.00 C ATOM 459 CG MET A 32 3.768 -15.815 -13.868 1.00 0.00 C ATOM 460 SD MET A 32 3.028 -17.367 -13.327 1.00 0.00 S ATOM 461 CE MET A 32 3.460 -18.443 -14.693 1.00 0.00 C ATOM 0 H MET A 32 3.797 -13.803 -11.011 1.00 0.00 H new ATOM 0 HA MET A 32 4.391 -15.928 -11.278 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.625 -14.754 -13.786 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.758 -16.463 -13.421 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.109 -14.990 -13.599 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.850 -15.816 -14.955 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.070 -19.444 -14.505 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.028 -18.052 -15.614 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.545 -18.489 -14.791 1.00 0.00 H new ATOM 471 N GLU A 33 6.609 -15.167 -9.866 1.00 0.00 N ATOM 472 CA GLU A 33 7.874 -15.337 -9.161 1.00 0.00 C ATOM 473 C GLU A 33 7.638 -15.727 -7.705 1.00 0.00 C ATOM 474 O GLU A 33 6.524 -15.614 -7.193 1.00 0.00 O ATOM 475 CB GLU A 33 8.698 -14.050 -9.228 1.00 0.00 C ATOM 476 CG GLU A 33 9.203 -13.723 -10.624 1.00 0.00 C ATOM 477 CD GLU A 33 10.549 -14.355 -10.921 1.00 0.00 C ATOM 478 OE1 GLU A 33 11.438 -14.297 -10.046 1.00 0.00 O ATOM 479 OE2 GLU A 33 10.712 -14.908 -12.029 1.00 0.00 O ATOM 0 H GLU A 33 5.855 -14.787 -9.294 1.00 0.00 H new ATOM 0 HA GLU A 33 8.427 -16.140 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.090 -13.220 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.550 -14.138 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.475 -14.066 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.282 -12.641 -10.734 1.00 0.00 H new ATOM 486 N LYS A 34 8.693 -16.187 -7.042 1.00 0.00 N ATOM 487 CA LYS A 34 8.603 -16.593 -5.645 1.00 0.00 C ATOM 488 C LYS A 34 8.544 -15.376 -4.727 1.00 0.00 C ATOM 489 O LYS A 34 9.300 -14.419 -4.899 1.00 0.00 O ATOM 490 CB LYS A 34 9.799 -17.471 -5.269 1.00 0.00 C ATOM 491 CG LYS A 34 9.721 -18.879 -5.834 1.00 0.00 C ATOM 492 CD LYS A 34 10.415 -18.979 -7.182 1.00 0.00 C ATOM 493 CE LYS A 34 9.868 -20.134 -8.006 1.00 0.00 C ATOM 494 NZ LYS A 34 10.877 -20.653 -8.971 1.00 0.00 N ATOM 0 H LYS A 34 9.622 -16.288 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 34 7.685 -17.167 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.714 -16.996 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.870 -17.528 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.180 -19.578 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.676 -19.172 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.284 -18.046 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.486 -19.113 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.554 -20.938 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.982 -19.805 -8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.466 -21.439 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.158 -19.892 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.713 -20.990 -8.452 1.00 0.00 H new ATOM 508 N LEU A 35 7.644 -15.420 -3.751 1.00 0.00 N ATOM 509 CA LEU A 35 7.488 -14.321 -2.805 1.00 0.00 C ATOM 510 C LEU A 35 8.803 -14.027 -2.089 1.00 0.00 C ATOM 511 O LEU A 35 9.066 -12.892 -1.694 1.00 0.00 O ATOM 512 CB LEU A 35 6.401 -14.653 -1.782 1.00 0.00 C ATOM 513 CG LEU A 35 5.008 -14.929 -2.348 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.081 -15.446 -1.259 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.434 -13.673 -2.988 1.00 0.00 C ATOM 0 H LEU A 35 7.011 -16.205 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 35 7.194 -13.433 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.720 -15.527 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.327 -13.824 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 35 5.095 -15.697 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.094 -15.637 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.484 -16.371 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.999 -14.701 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.442 -13.888 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.362 -12.884 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.087 -13.347 -3.798 1.00 0.00 H new ATOM 527 N ALA A 36 9.626 -15.058 -1.929 1.00 0.00 N ATOM 528 CA ALA A 36 10.915 -14.910 -1.265 1.00 0.00 C ATOM 529 C ALA A 36 11.844 -14.003 -2.066 1.00 0.00 C ATOM 530 O ALA A 36 12.611 -13.226 -1.497 1.00 0.00 O ATOM 531 CB ALA A 36 11.559 -16.272 -1.053 1.00 0.00 C ATOM 0 H ALA A 36 9.423 -16.005 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 36 10.744 -14.446 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.521 -16.146 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.909 -16.890 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.709 -16.757 -2.017 1.00 0.00 H new ATOM 537 N VAL A 37 11.770 -14.107 -3.389 1.00 0.00 N ATOM 538 CA VAL A 37 12.603 -13.296 -4.268 1.00 0.00 C ATOM 539 C VAL A 37 11.990 -11.918 -4.489 1.00 0.00 C ATOM 540 O VAL A 37 10.841 -11.673 -4.124 1.00 0.00 O ATOM 541 CB VAL A 37 12.811 -13.979 -5.633 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.369 -15.382 -5.449 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.506 -14.014 -6.414 1.00 0.00 C ATOM 0 H VAL A 37 11.141 -14.746 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 37 13.569 -13.186 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 37 13.535 -13.398 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.509 -15.849 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.327 -15.328 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.671 -15.977 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.671 -14.500 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.759 -14.571 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.152 -12.996 -6.577 1.00 0.00 H new ATOM 553 N ALA A 38 12.764 -11.022 -5.092 1.00 0.00 N ATOM 554 CA ALA A 38 12.296 -9.669 -5.365 1.00 0.00 C ATOM 555 C ALA A 38 11.138 -9.678 -6.358 1.00 0.00 C ATOM 556 O ALA A 38 10.976 -10.625 -7.127 1.00 0.00 O ATOM 557 CB ALA A 38 13.438 -8.811 -5.891 1.00 0.00 C ATOM 0 H ALA A 38 13.718 -11.209 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 38 11.935 -9.241 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.074 -7.803 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.234 -8.769 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.825 -9.246 -6.812 1.00 0.00 H new ATOM 563 N SER A 39 10.336 -8.618 -6.334 1.00 0.00 N ATOM 564 CA SER A 39 9.191 -8.507 -7.230 1.00 0.00 C ATOM 565 C SER A 39 9.644 -8.238 -8.661 1.00 0.00 C ATOM 566 O SER A 39 10.754 -7.761 -8.894 1.00 0.00 O ATOM 567 CB SER A 39 8.256 -7.390 -6.760 1.00 0.00 C ATOM 568 OG SER A 39 7.312 -7.059 -7.764 1.00 0.00 O ATOM 0 H SER A 39 10.458 -7.825 -5.704 1.00 0.00 H new ATOM 0 HA SER A 39 8.653 -9.455 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.735 -7.704 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.840 -6.507 -6.501 1.00 0.00 H new ATOM 0 HG SER A 39 6.437 -7.431 -7.526 1.00 0.00 H new ATOM 574 N GLY A 40 8.776 -8.548 -9.619 1.00 0.00 N ATOM 575 CA GLY A 40 9.104 -8.333 -11.016 1.00 0.00 C ATOM 576 C GLY A 40 9.050 -6.869 -11.406 1.00 0.00 C ATOM 577 O GLY A 40 9.902 -6.386 -12.152 1.00 0.00 O ATOM 0 H GLY A 40 7.851 -8.944 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.102 -8.722 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.411 -8.898 -11.640 1.00 0.00 H new ATOM 581 N TYR A 41 8.044 -6.162 -10.903 1.00 0.00 N ATOM 582 CA TYR A 41 7.880 -4.745 -11.207 1.00 0.00 C ATOM 583 C TYR A 41 8.927 -3.907 -10.480 1.00 0.00 C ATOM 584 O TYR A 41 9.049 -2.705 -10.716 1.00 0.00 O ATOM 585 CB TYR A 41 6.476 -4.278 -10.817 1.00 0.00 C ATOM 586 CG TYR A 41 5.376 -4.922 -11.631 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.857 -6.160 -11.277 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.856 -4.290 -12.754 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.852 -6.752 -12.018 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.851 -4.874 -13.500 1.00 0.00 C ATOM 591 CZ TYR A 41 3.353 -6.105 -13.129 1.00 0.00 C ATOM 592 OH TYR A 41 2.351 -6.691 -13.869 1.00 0.00 O ATOM 0 H TYR A 41 7.331 -6.546 -10.284 1.00 0.00 H new ATOM 0 HA TYR A 41 8.016 -4.611 -12.280 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.310 -4.495 -9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.417 -3.196 -10.933 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.245 -6.669 -10.407 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.244 -3.326 -13.048 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.460 -7.716 -11.729 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.457 -4.369 -14.370 1.00 0.00 H new ATOM 0 HH TYR A 41 2.112 -6.105 -14.617 1.00 0.00 H new ATOM 602 N SER A 42 9.681 -4.551 -9.594 1.00 0.00 N ATOM 603 CA SER A 42 10.716 -3.866 -8.829 1.00 0.00 C ATOM 604 C SER A 42 11.399 -2.797 -9.676 1.00 0.00 C ATOM 605 O SER A 42 11.801 -1.749 -9.168 1.00 0.00 O ATOM 606 CB SER A 42 11.753 -4.870 -8.321 1.00 0.00 C ATOM 607 OG SER A 42 12.637 -5.259 -9.358 1.00 0.00 O ATOM 0 H SER A 42 9.594 -5.546 -9.389 1.00 0.00 H new ATOM 0 HA SER A 42 10.242 -3.381 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.320 -4.428 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.247 -5.749 -7.921 1.00 0.00 H new ATOM 0 HG SER A 42 13.291 -5.899 -9.008 1.00 0.00 H new ATOM 613 N ASP A 43 11.527 -3.068 -10.970 1.00 0.00 N ATOM 614 CA ASP A 43 12.161 -2.130 -11.890 1.00 0.00 C ATOM 615 C ASP A 43 11.170 -1.065 -12.348 1.00 0.00 C ATOM 616 O ASP A 43 11.452 0.131 -12.277 1.00 0.00 O ATOM 617 CB ASP A 43 12.726 -2.873 -13.101 1.00 0.00 C ATOM 618 CG ASP A 43 11.638 -3.405 -14.013 1.00 0.00 C ATOM 619 OD1 ASP A 43 11.174 -4.541 -13.784 1.00 0.00 O ATOM 620 OD2 ASP A 43 11.251 -2.684 -14.956 1.00 0.00 O ATOM 0 H ASP A 43 11.200 -3.930 -11.406 1.00 0.00 H new ATOM 0 HA ASP A 43 12.978 -1.638 -11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.373 -2.202 -13.666 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.346 -3.701 -12.759 1.00 0.00 H new ATOM 625 N MET A 44 10.008 -1.508 -12.818 1.00 0.00 N ATOM 626 CA MET A 44 8.975 -0.592 -13.288 1.00 0.00 C ATOM 627 C MET A 44 8.612 0.419 -12.205 1.00 0.00 C ATOM 628 O MET A 44 8.560 1.623 -12.457 1.00 0.00 O ATOM 629 CB MET A 44 7.729 -1.370 -13.715 1.00 0.00 C ATOM 630 CG MET A 44 6.644 -0.495 -14.321 1.00 0.00 C ATOM 631 SD MET A 44 5.395 -1.449 -15.204 1.00 0.00 S ATOM 632 CE MET A 44 3.928 -1.044 -14.259 1.00 0.00 C ATOM 0 H MET A 44 9.758 -2.495 -12.883 1.00 0.00 H new ATOM 0 HA MET A 44 9.368 -0.051 -14.148 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.017 -2.132 -14.440 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.322 -1.892 -12.849 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.164 0.081 -13.530 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.100 0.221 -15.005 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.067 -1.560 -14.684 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.064 -1.357 -13.224 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.759 0.032 -14.293 1.00 0.00 H new ATOM 642 N THR A 45 8.360 -0.078 -10.998 1.00 0.00 N ATOM 643 CA THR A 45 8.000 0.781 -9.877 1.00 0.00 C ATOM 644 C THR A 45 9.240 1.262 -9.133 1.00 0.00 C ATOM 645 O THR A 45 10.245 0.555 -9.059 1.00 0.00 O ATOM 646 CB THR A 45 7.071 0.053 -8.887 1.00 0.00 C ATOM 647 OG1 THR A 45 7.611 -1.232 -8.563 1.00 0.00 O ATOM 648 CG2 THR A 45 5.677 -0.110 -9.474 1.00 0.00 C ATOM 0 H THR A 45 8.399 -1.072 -10.772 1.00 0.00 H new ATOM 0 HA THR A 45 7.473 1.640 -10.293 1.00 0.00 H new ATOM 0 HB THR A 45 6.999 0.655 -7.981 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.900 -1.805 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.039 -0.627 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.257 0.872 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.735 -0.692 -10.394 1.00 0.00 H new ATOM 656 N ASP A 46 9.162 2.469 -8.582 1.00 0.00 N ATOM 657 CA ASP A 46 10.279 3.044 -7.840 1.00 0.00 C ATOM 658 C ASP A 46 9.811 3.604 -6.501 1.00 0.00 C ATOM 659 O ASP A 46 10.426 4.516 -5.949 1.00 0.00 O ATOM 660 CB ASP A 46 10.950 4.146 -8.661 1.00 0.00 C ATOM 661 CG ASP A 46 10.338 5.510 -8.409 1.00 0.00 C ATOM 662 OD1 ASP A 46 9.149 5.566 -8.031 1.00 0.00 O ATOM 663 OD2 ASP A 46 11.048 6.522 -8.589 1.00 0.00 O ATOM 0 H ASP A 46 8.338 3.068 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 46 11.003 2.252 -7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.013 4.178 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.870 3.905 -9.721 1.00 0.00 H new ATOM 668 N SER A 47 8.718 3.051 -5.983 1.00 0.00 N ATOM 669 CA SER A 47 8.165 3.498 -4.711 1.00 0.00 C ATOM 670 C SER A 47 9.195 3.366 -3.594 1.00 0.00 C ATOM 671 O SER A 47 10.072 2.503 -3.640 1.00 0.00 O ATOM 672 CB SER A 47 6.913 2.691 -4.363 1.00 0.00 C ATOM 673 OG SER A 47 7.244 1.530 -3.621 1.00 0.00 O ATOM 0 H SER A 47 8.199 2.293 -6.425 1.00 0.00 H new ATOM 0 HA SER A 47 7.895 4.549 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.226 3.311 -3.787 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.394 2.406 -5.278 1.00 0.00 H new ATOM 0 HG SER A 47 6.949 0.734 -4.110 1.00 0.00 H new ATOM 679 N LYS A 48 9.083 4.228 -2.589 1.00 0.00 N ATOM 680 CA LYS A 48 10.003 4.210 -1.458 1.00 0.00 C ATOM 681 C LYS A 48 9.415 3.421 -0.291 1.00 0.00 C ATOM 682 O LYS A 48 10.071 2.544 0.270 1.00 0.00 O ATOM 683 CB LYS A 48 10.324 5.638 -1.011 1.00 0.00 C ATOM 684 CG LYS A 48 11.412 5.715 0.046 1.00 0.00 C ATOM 685 CD LYS A 48 12.101 7.069 0.039 1.00 0.00 C ATOM 686 CE LYS A 48 13.440 7.016 0.760 1.00 0.00 C ATOM 687 NZ LYS A 48 13.962 8.378 1.060 1.00 0.00 N ATOM 0 H LYS A 48 8.363 4.949 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 48 10.923 3.721 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.631 6.221 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.417 6.100 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.979 5.531 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.148 4.930 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.253 7.396 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.458 7.808 0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.331 6.456 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.162 6.477 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.875 8.299 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.091 8.904 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.285 8.883 1.667 1.00 0.00 H new ATOM 701 N ALA A 49 8.175 3.739 0.067 1.00 0.00 N ATOM 702 CA ALA A 49 7.499 3.058 1.163 1.00 0.00 C ATOM 703 C ALA A 49 7.412 1.557 0.907 1.00 0.00 C ATOM 704 O ALA A 49 7.767 0.749 1.766 1.00 0.00 O ATOM 705 CB ALA A 49 6.109 3.642 1.370 1.00 0.00 C ATOM 0 H ALA A 49 7.619 4.464 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 49 8.084 3.212 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.615 3.124 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.192 4.703 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.523 3.519 0.459 1.00 0.00 H new ATOM 711 N LEU A 50 6.936 1.191 -0.278 1.00 0.00 N ATOM 712 CA LEU A 50 6.802 -0.214 -0.647 1.00 0.00 C ATOM 713 C LEU A 50 8.119 -0.765 -1.184 1.00 0.00 C ATOM 714 O LEU A 50 8.898 -0.043 -1.805 1.00 0.00 O ATOM 715 CB LEU A 50 5.701 -0.383 -1.696 1.00 0.00 C ATOM 716 CG LEU A 50 4.293 -0.638 -1.155 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.261 -0.488 -2.262 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.206 -2.021 -0.527 1.00 0.00 C ATOM 0 H LEU A 50 6.637 1.847 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 50 6.533 -0.775 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.674 0.515 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.973 -1.212 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 50 4.080 0.103 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.265 -0.673 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.306 0.523 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.471 -1.206 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.198 -2.185 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.439 -2.777 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.919 -2.093 0.294 1.00 0.00 H new ATOM 730 N GLY A 51 8.361 -2.049 -0.941 1.00 0.00 N ATOM 731 CA GLY A 51 9.584 -2.676 -1.408 1.00 0.00 C ATOM 732 C GLY A 51 9.321 -3.938 -2.206 1.00 0.00 C ATOM 733 O GLY A 51 8.344 -4.651 -1.976 1.00 0.00 O ATOM 0 H GLY A 51 7.732 -2.667 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.138 -1.969 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.215 -2.916 -0.552 1.00 0.00 H new ATOM 737 N PRO A 52 10.207 -4.228 -3.170 1.00 0.00 N ATOM 738 CA PRO A 52 10.086 -5.413 -4.025 1.00 0.00 C ATOM 739 C PRO A 52 10.345 -6.707 -3.261 1.00 0.00 C ATOM 740 O PRO A 52 10.151 -7.801 -3.791 1.00 0.00 O ATOM 741 CB PRO A 52 11.166 -5.195 -5.088 1.00 0.00 C ATOM 742 CG PRO A 52 12.170 -4.312 -4.432 1.00 0.00 C ATOM 743 CD PRO A 52 11.395 -3.423 -3.499 1.00 0.00 C ATOM 0 HA PRO A 52 9.081 -5.520 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.612 -6.140 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.753 -4.729 -5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.909 -4.899 -3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.713 -3.723 -5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.972 -3.175 -2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.123 -2.481 -3.975 1.00 0.00 H new ATOM 751 N MET A 53 10.782 -6.576 -2.013 1.00 0.00 N ATOM 752 CA MET A 53 11.065 -7.736 -1.176 1.00 0.00 C ATOM 753 C MET A 53 9.936 -7.977 -0.180 1.00 0.00 C ATOM 754 O MET A 53 9.472 -9.105 -0.013 1.00 0.00 O ATOM 755 CB MET A 53 12.387 -7.543 -0.430 1.00 0.00 C ATOM 756 CG MET A 53 13.608 -7.934 -1.245 1.00 0.00 C ATOM 757 SD MET A 53 13.885 -9.716 -1.270 1.00 0.00 S ATOM 758 CE MET A 53 14.460 -9.945 -2.951 1.00 0.00 C ATOM 0 H MET A 53 10.948 -5.678 -1.559 1.00 0.00 H new ATOM 0 HA MET A 53 11.146 -8.609 -1.824 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.478 -6.498 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.367 -8.134 0.486 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.488 -7.574 -2.267 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.488 -7.439 -0.834 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.272 -10.972 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.929 -9.261 -3.613 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.530 -9.741 -3.001 1.00 0.00 H new ATOM 768 N VAL A 54 9.497 -6.909 0.479 1.00 0.00 N ATOM 769 CA VAL A 54 8.420 -7.005 1.458 1.00 0.00 C ATOM 770 C VAL A 54 7.177 -7.640 0.847 1.00 0.00 C ATOM 771 O VAL A 54 6.803 -7.335 -0.285 1.00 0.00 O ATOM 772 CB VAL A 54 8.052 -5.621 2.024 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.403 -4.761 0.950 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.135 -5.765 3.229 1.00 0.00 C ATOM 0 H VAL A 54 9.870 -5.968 0.353 1.00 0.00 H new ATOM 0 HA VAL A 54 8.784 -7.636 2.269 1.00 0.00 H new ATOM 0 HB VAL A 54 8.967 -5.126 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.150 -3.787 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.097 -4.630 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.497 -5.249 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.885 -4.777 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.222 -6.280 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.640 -6.341 4.004 1.00 0.00 H new ATOM 784 N VAL A 55 6.537 -8.525 1.606 1.00 0.00 N ATOM 785 CA VAL A 55 5.334 -9.203 1.140 1.00 0.00 C ATOM 786 C VAL A 55 4.300 -9.316 2.255 1.00 0.00 C ATOM 787 O VAL A 55 4.644 -9.549 3.413 1.00 0.00 O ATOM 788 CB VAL A 55 5.653 -10.613 0.607 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.393 -11.285 0.084 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.719 -10.543 -0.476 1.00 0.00 C ATOM 0 H VAL A 55 6.832 -8.789 2.546 1.00 0.00 H new ATOM 0 HA VAL A 55 4.926 -8.600 0.329 1.00 0.00 H new ATOM 0 HB VAL A 55 6.041 -11.214 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.639 -12.280 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.664 -11.369 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.972 -10.689 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.933 -11.547 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.361 -9.925 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.628 -10.106 -0.064 1.00 0.00 H new ATOM 800 N GLY A 56 3.030 -9.148 1.897 1.00 0.00 N ATOM 801 CA GLY A 56 1.965 -9.235 2.879 1.00 0.00 C ATOM 802 C GLY A 56 0.752 -9.978 2.354 1.00 0.00 C ATOM 803 O GLY A 56 0.442 -9.911 1.165 1.00 0.00 O ATOM 0 H GLY A 56 2.720 -8.953 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.338 -9.738 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.670 -8.230 3.180 1.00 0.00 H new ATOM 807 N ARG A 57 0.065 -10.688 3.243 1.00 0.00 N ATOM 808 CA ARG A 57 -1.119 -11.449 2.862 1.00 0.00 C ATOM 809 C ARG A 57 -2.385 -10.621 3.063 1.00 0.00 C ATOM 810 O ARG A 57 -2.578 -10.008 4.114 1.00 0.00 O ATOM 811 CB ARG A 57 -1.206 -12.740 3.677 1.00 0.00 C ATOM 812 CG ARG A 57 -0.553 -13.934 2.999 1.00 0.00 C ATOM 813 CD ARG A 57 -0.947 -15.240 3.671 1.00 0.00 C ATOM 814 NE ARG A 57 -0.458 -15.319 5.044 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.771 -16.302 5.881 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.568 -17.285 5.485 1.00 0.00 N ATOM 817 NH2 ARG A 57 -0.285 -16.304 7.116 1.00 0.00 N ATOM 0 H ARG A 57 0.308 -10.752 4.232 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.034 -11.700 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.734 -12.580 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.254 -12.970 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.844 -13.962 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.531 -13.822 3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.033 -15.336 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.551 -16.077 3.096 1.00 0.00 H new ATOM 0 HE ARG A 57 0.158 -14.579 5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.942 -17.287 4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.807 -18.039 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.330 -15.550 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.526 -17.059 7.758 1.00 0.00 H new ATOM 831 N LEU A 58 -3.244 -10.608 2.051 1.00 0.00 N ATOM 832 CA LEU A 58 -4.492 -9.855 2.116 1.00 0.00 C ATOM 833 C LEU A 58 -5.270 -10.199 3.382 1.00 0.00 C ATOM 834 O LEU A 58 -4.957 -11.170 4.072 1.00 0.00 O ATOM 835 CB LEU A 58 -5.349 -10.143 0.882 1.00 0.00 C ATOM 836 CG LEU A 58 -4.886 -9.496 -0.424 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.232 -10.381 -1.610 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.507 -8.116 -0.585 1.00 0.00 C ATOM 0 H LEU A 58 -3.100 -11.110 1.175 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.247 -8.793 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.388 -11.222 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.367 -9.812 1.087 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.803 -9.382 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.895 -9.904 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.738 -11.347 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.311 -10.528 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.166 -7.671 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.593 -8.205 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.207 -7.482 0.249 1.00 0.00 H new ATOM 850 N THR A 59 -6.288 -9.398 3.681 1.00 0.00 N ATOM 851 CA THR A 59 -7.112 -9.619 4.862 1.00 0.00 C ATOM 852 C THR A 59 -8.468 -10.206 4.486 1.00 0.00 C ATOM 853 O THR A 59 -9.238 -10.622 5.352 1.00 0.00 O ATOM 854 CB THR A 59 -7.332 -8.310 5.646 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.965 -7.338 4.807 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.011 -7.760 6.161 1.00 0.00 C ATOM 0 H THR A 59 -6.561 -8.590 3.121 1.00 0.00 H new ATOM 0 HA THR A 59 -6.575 -10.327 5.493 1.00 0.00 H new ATOM 0 HB THR A 59 -7.975 -8.526 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.103 -6.510 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.191 -6.836 6.711 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.545 -8.491 6.822 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.348 -7.558 5.320 1.00 0.00 H new ATOM 864 N LYS A 60 -8.754 -10.238 3.189 1.00 0.00 N ATOM 865 CA LYS A 60 -10.016 -10.777 2.696 1.00 0.00 C ATOM 866 C LYS A 60 -9.896 -12.271 2.413 1.00 0.00 C ATOM 867 O LYS A 60 -10.457 -13.097 3.134 1.00 0.00 O ATOM 868 CB LYS A 60 -10.448 -10.039 1.427 1.00 0.00 C ATOM 869 CG LYS A 60 -11.955 -9.954 1.256 1.00 0.00 C ATOM 870 CD LYS A 60 -12.550 -8.841 2.101 1.00 0.00 C ATOM 871 CE LYS A 60 -13.869 -8.349 1.526 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.990 -9.281 1.831 1.00 0.00 N ATOM 0 H LYS A 60 -8.128 -9.897 2.459 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.771 -10.631 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.035 -9.030 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.020 -10.543 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.194 -9.783 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.408 -10.905 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.707 -9.199 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.846 -8.011 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.096 -7.363 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.775 -8.236 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.871 -8.910 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.785 -10.215 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.097 -9.369 2.862 1.00 0.00 H new ATOM 886 N CYS A 61 -9.161 -12.611 1.360 1.00 0.00 N ATOM 887 CA CYS A 61 -8.966 -14.006 0.981 1.00 0.00 C ATOM 888 C CYS A 61 -7.694 -14.567 1.609 1.00 0.00 C ATOM 889 O CYS A 61 -7.402 -15.757 1.487 1.00 0.00 O ATOM 890 CB CYS A 61 -8.897 -14.138 -0.541 1.00 0.00 C ATOM 891 SG CYS A 61 -7.631 -13.088 -1.323 1.00 0.00 S ATOM 0 H CYS A 61 -8.690 -11.940 0.753 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.816 -14.579 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.698 -15.179 -0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.871 -13.888 -0.961 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.060 -12.680 -2.480 1.00 0.00 H new ATOM 896 N SER A 62 -6.941 -13.703 2.282 1.00 0.00 N ATOM 897 CA SER A 62 -5.698 -14.111 2.927 1.00 0.00 C ATOM 898 C SER A 62 -4.736 -14.723 1.913 1.00 0.00 C ATOM 899 O SER A 62 -4.182 -15.799 2.137 1.00 0.00 O ATOM 900 CB SER A 62 -5.985 -15.115 4.045 1.00 0.00 C ATOM 901 OG SER A 62 -6.488 -14.463 5.199 1.00 0.00 O ATOM 0 H SER A 62 -7.170 -12.715 2.395 1.00 0.00 H new ATOM 0 HA SER A 62 -5.231 -13.224 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.707 -15.855 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.072 -15.654 4.297 1.00 0.00 H new ATOM 0 HG SER A 62 -6.665 -15.126 5.898 1.00 0.00 H new ATOM 907 N HIS A 63 -4.543 -14.029 0.796 1.00 0.00 N ATOM 908 CA HIS A 63 -3.647 -14.502 -0.253 1.00 0.00 C ATOM 909 C HIS A 63 -2.359 -13.685 -0.278 1.00 0.00 C ATOM 910 O HIS A 63 -2.393 -12.457 -0.337 1.00 0.00 O ATOM 911 CB HIS A 63 -4.338 -14.428 -1.615 1.00 0.00 C ATOM 912 CG HIS A 63 -5.355 -15.506 -1.830 1.00 0.00 C ATOM 913 ND1 HIS A 63 -5.980 -15.720 -3.041 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.853 -16.436 -0.982 1.00 0.00 C ATOM 915 CE1 HIS A 63 -6.820 -16.734 -2.927 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.762 -17.186 -1.687 1.00 0.00 N ATOM 0 H HIS A 63 -4.995 -13.137 0.594 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.393 -15.540 -0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.823 -13.457 -1.715 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.584 -14.490 -2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.585 -16.564 0.056 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.447 -17.126 -3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.304 -17.965 -1.314 1.00 0.00 H new ATOM 924 N ALA A 64 -1.225 -14.376 -0.231 1.00 0.00 N ATOM 925 CA ALA A 64 0.074 -13.715 -0.249 1.00 0.00 C ATOM 926 C ALA A 64 0.338 -13.061 -1.602 1.00 0.00 C ATOM 927 O ALA A 64 0.040 -13.635 -2.649 1.00 0.00 O ATOM 928 CB ALA A 64 1.177 -14.709 0.083 1.00 0.00 C ATOM 0 H ALA A 64 -1.180 -15.394 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 64 0.066 -12.932 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.141 -14.201 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.004 -15.126 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.177 -15.512 -0.654 1.00 0.00 H new ATOM 934 N PHE A 65 0.899 -11.856 -1.571 1.00 0.00 N ATOM 935 CA PHE A 65 1.201 -11.123 -2.795 1.00 0.00 C ATOM 936 C PHE A 65 2.226 -10.024 -2.531 1.00 0.00 C ATOM 937 O PHE A 65 2.178 -9.349 -1.502 1.00 0.00 O ATOM 938 CB PHE A 65 -0.076 -10.516 -3.380 1.00 0.00 C ATOM 939 CG PHE A 65 -0.741 -11.391 -4.404 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.137 -11.631 -5.627 1.00 0.00 C ATOM 941 CD2 PHE A 65 -1.971 -11.973 -4.143 1.00 0.00 C ATOM 942 CE1 PHE A 65 -0.746 -12.436 -6.571 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.585 -12.779 -5.083 1.00 0.00 C ATOM 944 CZ PHE A 65 -1.972 -13.009 -6.299 1.00 0.00 C ATOM 0 H PHE A 65 1.153 -11.367 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 65 1.623 -11.825 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.779 -10.319 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.163 -9.555 -3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.821 -11.184 -5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.455 -11.795 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.263 -12.616 -7.520 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.543 -13.228 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.451 -13.636 -7.036 1.00 0.00 H new ATOM 954 N HIS A 66 3.152 -9.849 -3.468 1.00 0.00 N ATOM 955 CA HIS A 66 4.189 -8.832 -3.338 1.00 0.00 C ATOM 956 C HIS A 66 3.574 -7.454 -3.112 1.00 0.00 C ATOM 957 O HIS A 66 3.064 -6.830 -4.044 1.00 0.00 O ATOM 958 CB HIS A 66 5.072 -8.810 -4.586 1.00 0.00 C ATOM 959 CG HIS A 66 5.943 -10.021 -4.725 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.602 -11.109 -5.501 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.149 -10.311 -4.182 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.559 -12.016 -5.428 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.510 -11.556 -4.635 1.00 0.00 N ATOM 0 H HIS A 66 3.205 -10.398 -4.326 1.00 0.00 H new ATOM 0 HA HIS A 66 4.802 -9.084 -2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.438 -8.726 -5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.702 -7.921 -4.560 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.745 -11.199 -6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.720 -9.681 -3.517 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.563 -12.972 -5.931 1.00 0.00 H new ATOM 971 N LEU A 67 3.624 -6.985 -1.870 1.00 0.00 N ATOM 972 CA LEU A 67 3.070 -5.681 -1.522 1.00 0.00 C ATOM 973 C LEU A 67 3.368 -4.655 -2.610 1.00 0.00 C ATOM 974 O LEU A 67 2.641 -3.673 -2.768 1.00 0.00 O ATOM 975 CB LEU A 67 3.641 -5.204 -0.185 1.00 0.00 C ATOM 976 CG LEU A 67 3.326 -6.079 1.030 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.898 -5.460 2.296 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.824 -6.283 1.165 1.00 0.00 C ATOM 0 H LEU A 67 4.042 -7.488 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 67 1.989 -5.785 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.724 -5.128 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.267 -4.199 0.009 1.00 0.00 H new ATOM 0 HG LEU A 67 3.793 -7.053 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.664 -6.096 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.980 -5.366 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.461 -4.473 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.618 -6.908 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.335 -5.317 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.441 -6.771 0.269 1.00 0.00 H new ATOM 990 N LEU A 68 4.439 -4.889 -3.359 1.00 0.00 N ATOM 991 CA LEU A 68 4.832 -3.986 -4.435 1.00 0.00 C ATOM 992 C LEU A 68 4.001 -4.238 -5.689 1.00 0.00 C ATOM 993 O LEU A 68 3.443 -3.309 -6.274 1.00 0.00 O ATOM 994 CB LEU A 68 6.319 -4.156 -4.753 1.00 0.00 C ATOM 995 CG LEU A 68 6.909 -3.164 -5.756 1.00 0.00 C ATOM 996 CD1 LEU A 68 7.332 -1.883 -5.055 1.00 0.00 C ATOM 997 CD2 LEU A 68 8.087 -3.786 -6.492 1.00 0.00 C ATOM 0 H LEU A 68 5.051 -5.696 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 68 4.652 -2.964 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.880 -4.078 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.475 -5.165 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 68 6.140 -2.916 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.749 -1.190 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.466 -1.427 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.085 -2.112 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.494 -3.066 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.859 -4.064 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.753 -4.674 -7.028 1.00 0.00 H new ATOM 1009 N CYS A 69 3.921 -5.501 -6.095 1.00 0.00 N ATOM 1010 CA CYS A 69 3.156 -5.877 -7.278 1.00 0.00 C ATOM 1011 C CYS A 69 1.737 -5.321 -7.208 1.00 0.00 C ATOM 1012 O CYS A 69 1.269 -4.663 -8.139 1.00 0.00 O ATOM 1013 CB CYS A 69 3.113 -7.399 -7.420 1.00 0.00 C ATOM 1014 SG CYS A 69 4.667 -8.135 -8.022 1.00 0.00 S ATOM 0 H CYS A 69 4.377 -6.281 -5.622 1.00 0.00 H new ATOM 0 HA CYS A 69 3.651 -5.451 -8.151 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.867 -7.836 -6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.308 -7.667 -8.104 1.00 0.00 H new ATOM 0 HG CYS A 69 4.608 -9.429 -7.907 1.00 0.00 H new ATOM 1019 N LEU A 70 1.057 -5.589 -6.099 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.309 -5.115 -5.905 1.00 0.00 C ATOM 1021 C LEU A 70 -0.428 -3.636 -6.259 1.00 0.00 C ATOM 1022 O LEU A 70 -1.366 -3.224 -6.942 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.749 -5.342 -4.458 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.849 -6.800 -4.008 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.921 -6.887 -2.491 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.060 -7.471 -4.640 1.00 0.00 C ATOM 0 H LEU A 70 1.429 -6.132 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.961 -5.682 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.048 -4.827 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.722 -4.872 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 70 0.047 -7.325 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.992 -7.932 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.024 -6.444 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.799 -6.347 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.116 -8.508 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.966 -6.945 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.967 -7.441 -5.726 1.00 0.00 H new ATOM 1038 N LEU A 71 0.529 -2.843 -5.791 1.00 0.00 N ATOM 1039 CA LEU A 71 0.533 -1.409 -6.059 1.00 0.00 C ATOM 1040 C LEU A 71 0.556 -1.136 -7.559 1.00 0.00 C ATOM 1041 O LEU A 71 -0.257 -0.367 -8.073 1.00 0.00 O ATOM 1042 CB LEU A 71 1.740 -0.749 -5.391 1.00 0.00 C ATOM 1043 CG LEU A 71 1.807 0.776 -5.481 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.918 1.413 -4.425 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.243 1.257 -5.333 1.00 0.00 C ATOM 0 H LEU A 71 1.312 -3.168 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.381 -0.984 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.747 -1.031 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.646 -1.159 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 71 1.443 1.079 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.979 2.498 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.113 1.095 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.250 1.103 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.271 2.345 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.634 0.943 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.854 0.829 -6.128 1.00 0.00 H new ATOM 1057 N ALA A 72 1.491 -1.772 -8.257 1.00 0.00 N ATOM 1058 CA ALA A 72 1.617 -1.601 -9.699 1.00 0.00 C ATOM 1059 C ALA A 72 0.329 -1.997 -10.414 1.00 0.00 C ATOM 1060 O ALA A 72 -0.212 -1.229 -11.209 1.00 0.00 O ATOM 1061 CB ALA A 72 2.788 -2.416 -10.227 1.00 0.00 C ATOM 0 H ALA A 72 2.173 -2.411 -7.847 1.00 0.00 H new ATOM 0 HA ALA A 72 1.803 -0.546 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.870 -2.279 -11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.709 -2.083 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.626 -3.471 -10.007 1.00 0.00 H new ATOM 1067 N MET A 73 -0.156 -3.200 -10.125 1.00 0.00 N ATOM 1068 CA MET A 73 -1.381 -3.697 -10.740 1.00 0.00 C ATOM 1069 C MET A 73 -2.538 -2.730 -10.506 1.00 0.00 C ATOM 1070 O MET A 73 -3.268 -2.384 -11.436 1.00 0.00 O ATOM 1071 CB MET A 73 -1.734 -5.077 -10.182 1.00 0.00 C ATOM 1072 CG MET A 73 -2.859 -5.768 -10.935 1.00 0.00 C ATOM 1073 SD MET A 73 -4.491 -5.213 -10.408 1.00 0.00 S ATOM 1074 CE MET A 73 -4.676 -6.115 -8.872 1.00 0.00 C ATOM 0 H MET A 73 0.280 -3.848 -9.469 1.00 0.00 H new ATOM 0 HA MET A 73 -1.211 -3.780 -11.813 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.847 -5.709 -10.211 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.018 -4.974 -9.135 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.744 -5.582 -12.003 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.781 -6.845 -10.788 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.211 -5.498 -8.150 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.238 -7.031 -9.053 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.692 -6.366 -8.477 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.700 -2.299 -9.261 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.770 -1.374 -8.905 1.00 0.00 C ATOM 1086 C TYR A 74 -3.699 -0.108 -9.753 1.00 0.00 C ATOM 1087 O TYR A 74 -4.726 0.443 -10.151 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.688 -1.013 -7.421 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.570 0.151 -7.031 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -5.940 -0.015 -6.865 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -4.035 1.417 -6.830 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -6.750 1.045 -6.510 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -4.838 2.483 -6.473 1.00 0.00 C ATOM 1094 CZ TYR A 74 -6.195 2.293 -6.315 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.998 3.352 -5.961 1.00 0.00 O ATOM 0 H TYR A 74 -2.104 -2.575 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.722 -1.867 -9.099 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.967 -1.884 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.654 -0.775 -7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.378 -0.990 -7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.973 1.571 -6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.813 0.898 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.405 3.460 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.938 3.076 -5.995 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.482 0.347 -10.025 1.00 0.00 N ATOM 1106 CA CYS A 75 -2.275 1.549 -10.825 1.00 0.00 C ATOM 1107 C CYS A 75 -2.855 1.376 -12.225 1.00 0.00 C ATOM 1108 O CYS A 75 -3.379 2.321 -12.812 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.785 1.878 -10.914 1.00 0.00 C ATOM 1110 SG CYS A 75 -0.425 3.469 -11.694 1.00 0.00 S ATOM 0 H CYS A 75 -1.623 -0.098 -9.703 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.792 2.375 -10.336 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.363 1.874 -9.909 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.283 1.089 -11.474 1.00 0.00 H new ATOM 0 HG CYS A 75 0.861 3.658 -11.721 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.602 4.307 -5.354 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.640 3.800 -3.994 1.00 0.00 C ATOM 1187 C GLY A 81 -10.224 2.404 -3.912 1.00 0.00 C ATOM 1188 O GLY A 81 -11.315 2.211 -3.375 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.630 3.793 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.231 4.475 -3.374 1.00 0.00 H new ATOM 1192 N SER A 82 -9.497 1.428 -4.446 1.00 0.00 N ATOM 1193 CA SER A 82 -9.952 0.042 -4.435 1.00 0.00 C ATOM 1194 C SER A 82 -8.776 -0.917 -4.585 1.00 0.00 C ATOM 1195 O SER A 82 -7.621 -0.495 -4.667 1.00 0.00 O ATOM 1196 CB SER A 82 -10.963 -0.193 -5.559 1.00 0.00 C ATOM 1197 OG SER A 82 -11.942 0.831 -5.587 1.00 0.00 O ATOM 0 H SER A 82 -8.591 1.571 -4.892 1.00 0.00 H new ATOM 0 HA SER A 82 -10.434 -0.149 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.444 -0.231 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.447 -1.160 -5.421 1.00 0.00 H new ATOM 0 HG SER A 82 -12.085 1.172 -4.679 1.00 0.00 H new ATOM 1203 N LEU A 83 -9.076 -2.211 -4.620 1.00 0.00 N ATOM 1204 CA LEU A 83 -8.044 -3.232 -4.760 1.00 0.00 C ATOM 1205 C LEU A 83 -8.666 -4.611 -4.958 1.00 0.00 C ATOM 1206 O LEU A 83 -9.385 -5.108 -4.092 1.00 0.00 O ATOM 1207 CB LEU A 83 -7.138 -3.242 -3.528 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.783 -3.931 -3.696 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.970 -5.372 -4.144 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.917 -3.170 -4.690 1.00 0.00 C ATOM 0 H LEU A 83 -10.025 -2.578 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.448 -2.992 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.963 -2.211 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.672 -3.730 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.276 -3.934 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.996 -5.847 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.552 -5.913 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.497 -5.391 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.957 -3.675 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.418 -3.135 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.755 -2.155 -4.329 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.382 -5.223 -6.103 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.913 -6.546 -6.414 1.00 0.00 C ATOM 1224 C GLN A 84 -7.788 -7.568 -6.541 1.00 0.00 C ATOM 1225 O GLN A 84 -6.718 -7.266 -7.070 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.726 -6.501 -7.708 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.435 -7.807 -8.027 1.00 0.00 C ATOM 1228 CD GLN A 84 -10.982 -7.845 -9.441 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.342 -7.367 -10.378 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -12.170 -8.415 -9.601 1.00 0.00 N ATOM 0 H GLN A 84 -7.788 -4.825 -6.830 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.564 -6.850 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.466 -5.704 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.063 -6.246 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.741 -8.636 -7.888 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.253 -7.954 -7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.665 -8.798 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.588 -8.470 -10.530 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.037 -8.778 -6.051 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.046 -9.845 -6.108 1.00 0.00 C ATOM 1241 C CYS A 85 -7.062 -10.530 -7.472 1.00 0.00 C ATOM 1242 O CYS A 85 -8.083 -11.052 -7.920 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.308 -10.873 -5.006 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.011 -12.143 -4.849 1.00 0.00 S ATOM 0 H CYS A 85 -8.917 -9.044 -5.610 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.062 -9.401 -5.955 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.408 -10.352 -4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.261 -11.365 -5.202 1.00 0.00 H new ATOM 0 HG CYS A 85 -4.846 -11.600 -5.045 1.00 0.00 H new ATOM 1249 N PRO A 86 -5.903 -10.528 -8.148 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.758 -11.146 -9.470 1.00 0.00 C ATOM 1251 C PRO A 86 -5.834 -12.667 -9.411 1.00 0.00 C ATOM 1252 O PRO A 86 -5.597 -13.350 -10.407 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.365 -10.697 -9.919 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.625 -10.434 -8.653 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.647 -9.925 -7.675 1.00 0.00 C ATOM 0 HA PRO A 86 -6.557 -10.849 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.873 -11.468 -10.512 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.418 -9.802 -10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.149 -11.342 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.834 -9.700 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.414 -10.231 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.698 -8.836 -7.678 1.00 0.00 H new ATOM 1263 N SER A 87 -6.168 -13.193 -8.236 1.00 0.00 N ATOM 1264 CA SER A 87 -6.272 -14.635 -8.046 1.00 0.00 C ATOM 1265 C SER A 87 -7.729 -15.056 -7.872 1.00 0.00 C ATOM 1266 O SER A 87 -8.316 -15.682 -8.755 1.00 0.00 O ATOM 1267 CB SER A 87 -5.455 -15.071 -6.829 1.00 0.00 C ATOM 1268 OG SER A 87 -5.569 -16.467 -6.612 1.00 0.00 O ATOM 0 H SER A 87 -6.371 -12.642 -7.402 1.00 0.00 H new ATOM 0 HA SER A 87 -5.874 -15.123 -8.935 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.408 -14.807 -6.976 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.798 -14.533 -5.945 1.00 0.00 H new ATOM 0 HG SER A 87 -5.036 -16.721 -5.830 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.306 -14.707 -6.727 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.692 -15.048 -6.434 1.00 0.00 C ATOM 1276 C CYS A 88 -10.643 -14.008 -7.020 1.00 0.00 C ATOM 1277 O CYS A 88 -11.859 -14.202 -7.038 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.905 -15.154 -4.923 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.313 -13.709 -3.985 1.00 0.00 S ATOM 0 H CYS A 88 -7.834 -14.188 -5.987 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.907 -16.013 -6.893 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -10.968 -15.291 -4.726 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.395 -16.045 -4.557 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.565 -14.108 -2.999 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.081 -12.904 -7.500 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.876 -11.833 -8.089 1.00 0.00 C ATOM 1286 C LYS A 89 -11.880 -11.284 -7.081 1.00 0.00 C ATOM 1287 O LYS A 89 -13.079 -11.219 -7.354 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.612 -12.341 -9.332 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.684 -12.841 -10.425 1.00 0.00 C ATOM 1290 CD LYS A 89 -9.980 -11.692 -11.128 1.00 0.00 C ATOM 1291 CE LYS A 89 -10.908 -10.981 -12.101 1.00 0.00 C ATOM 1292 NZ LYS A 89 -11.074 -11.746 -13.368 1.00 0.00 N ATOM 0 H LYS A 89 -9.076 -12.727 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.200 -11.028 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.285 -13.147 -9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.231 -11.538 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.943 -13.514 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.255 -13.419 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.614 -10.981 -10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.110 -12.071 -11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.882 -10.836 -11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.511 -9.991 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.672 -11.205 -14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.142 -11.907 -13.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.524 -12.661 -13.164 1.00 0.00 H new ATOM 1306 N THR A 90 -11.383 -10.886 -5.914 1.00 0.00 N ATOM 1307 CA THR A 90 -12.236 -10.342 -4.865 1.00 0.00 C ATOM 1308 C THR A 90 -11.979 -8.852 -4.666 1.00 0.00 C ATOM 1309 O THR A 90 -10.923 -8.455 -4.174 1.00 0.00 O ATOM 1310 CB THR A 90 -12.016 -11.072 -3.526 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.584 -12.385 -3.585 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.640 -10.294 -2.377 1.00 0.00 C ATOM 0 H THR A 90 -10.393 -10.930 -5.672 1.00 0.00 H new ATOM 0 HA THR A 90 -13.267 -10.491 -5.187 1.00 0.00 H new ATOM 0 HB THR A 90 -10.943 -11.149 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.869 -13.047 -3.689 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.472 -10.829 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.184 -9.306 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.711 -10.190 -2.548 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.952 -8.033 -5.051 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.831 -6.587 -4.913 1.00 0.00 C ATOM 1322 C ILE A 91 -12.904 -6.166 -3.449 1.00 0.00 C ATOM 1323 O ILE A 91 -13.670 -6.730 -2.667 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.932 -5.852 -5.701 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.820 -6.172 -7.193 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.839 -4.352 -5.467 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.120 -5.998 -7.948 1.00 0.00 C ATOM 0 H ILE A 91 -13.832 -8.346 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.858 -6.312 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.904 -6.195 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.062 -5.528 -7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.475 -7.199 -7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.623 -3.847 -6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.962 -4.141 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.865 -3.992 -5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.966 -6.242 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.876 -6.662 -7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.456 -4.965 -7.861 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.103 -5.171 -3.085 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.075 -4.675 -1.714 1.00 0.00 C ATOM 1341 C TYR A 92 -12.765 -3.317 -1.612 1.00 0.00 C ATOM 1342 O TYR A 92 -13.428 -3.018 -0.620 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.633 -4.565 -1.218 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.980 -5.903 -0.953 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -10.015 -6.916 -1.904 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.330 -6.156 0.249 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.421 -8.140 -1.666 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.732 -7.377 0.495 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.781 -8.365 -0.466 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.187 -9.583 -0.224 1.00 0.00 O ATOM 0 H TYR A 92 -11.464 -4.692 -3.720 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.614 -5.385 -1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.044 -4.023 -1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.617 -3.974 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.515 -6.743 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.292 -5.385 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.458 -8.916 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.229 -7.557 1.434 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.422 -10.210 -0.940 1.00 0.00 H new