USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 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 35 TYR OH : rot 177:sc= 1.13 USER MOD Set 1.2: A 63 GLN : amide:sc= 0.998 K(o=2.1,f=-1.5) USER MOD Set 2.1: A 24 SER OG : rot 35:sc= 0.264 USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 ASN : amide:sc= -0.189 K(o=-0.19,f=-4.9!) USER MOD Set 3.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 17 ASN :FLIP amide:sc= 0.833 F(o=0.27,f=1.9) USER MOD Set 4.2: A 19 THR OG1 : rot 27:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0687 (180deg=-0.467) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.771 K(o=-0.77,f=-1.7!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -147:sc= 1.09 USER MOD Single : A 18 ASN : amide:sc=-0.00303 K(o=-0.003,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.454 K(o=-0.45,f=-0.98) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 39 MET CE :methyl -166:sc= -0.0602 (180deg=-0.618) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.966) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0264 (180deg=-0.226) USER MOD Single : A 50 TYR OH : rot 0:sc= -0.11 USER MOD Single : A 52 SER OG : rot -124:sc= 1.27 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 61:sc= 1.25 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.265 K(o=-0.26,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 7:sc= 0.109 USER MOD Single : A 70 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= -2.81! (180deg=-4.12!) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 80 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.0045) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=-0.048) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.052 21.804 -3.023 1.00 0.00 N ATOM 2 CA MET A 1 18.244 22.632 -2.721 1.00 0.00 C ATOM 3 C MET A 1 19.282 21.782 -2.008 1.00 0.00 C ATOM 4 O MET A 1 20.394 21.598 -2.502 1.00 0.00 O ATOM 5 CB MET A 1 17.848 23.836 -1.862 1.00 0.00 C ATOM 6 CG MET A 1 16.821 24.734 -2.530 1.00 0.00 C ATOM 7 SD MET A 1 16.290 26.100 -1.480 1.00 0.00 S ATOM 8 CE MET A 1 15.059 26.864 -2.534 1.00 0.00 C ATOM 0 H1 MET A 1 16.483 22.270 -3.758 1.00 0.00 H new ATOM 0 H2 MET A 1 17.356 20.869 -3.362 1.00 0.00 H new ATOM 0 H3 MET A 1 16.480 21.691 -2.162 1.00 0.00 H new ATOM 0 HA MET A 1 18.671 23.005 -3.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.448 23.481 -0.912 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.739 24.421 -1.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.242 25.134 -3.452 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.952 24.138 -2.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.632 27.730 -2.027 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.525 27.183 -3.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.269 26.145 -2.751 1.00 0.00 H new ATOM 20 N ASP A 2 18.917 21.271 -0.843 1.00 0.00 N ATOM 21 CA ASP A 2 19.705 20.242 -0.189 1.00 0.00 C ATOM 22 C ASP A 2 19.291 18.896 -0.764 1.00 0.00 C ATOM 23 O ASP A 2 18.119 18.524 -0.712 1.00 0.00 O ATOM 24 CB ASP A 2 19.518 20.282 1.338 1.00 0.00 C ATOM 25 CG ASP A 2 18.063 20.226 1.771 1.00 0.00 C ATOM 26 OD1 ASP A 2 17.338 21.225 1.562 1.00 0.00 O ATOM 27 OD2 ASP A 2 17.645 19.197 2.336 1.00 0.00 O ATOM 0 H ASP A 2 18.080 21.553 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 2 20.766 20.412 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.054 19.444 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.970 21.194 1.728 1.00 0.00 H new ATOM 32 N PHE A 3 20.247 18.185 -1.348 1.00 0.00 N ATOM 33 CA PHE A 3 19.947 16.979 -2.117 1.00 0.00 C ATOM 34 C PHE A 3 19.695 15.761 -1.225 1.00 0.00 C ATOM 35 O PHE A 3 20.349 14.726 -1.362 1.00 0.00 O ATOM 36 CB PHE A 3 21.068 16.695 -3.132 1.00 0.00 C ATOM 37 CG PHE A 3 22.465 16.830 -2.582 1.00 0.00 C ATOM 38 CD1 PHE A 3 23.127 18.048 -2.635 1.00 0.00 C ATOM 39 CD2 PHE A 3 23.119 15.743 -2.024 1.00 0.00 C ATOM 40 CE1 PHE A 3 24.409 18.178 -2.140 1.00 0.00 C ATOM 41 CE2 PHE A 3 24.402 15.868 -1.528 1.00 0.00 C ATOM 42 CZ PHE A 3 25.047 17.087 -1.585 1.00 0.00 C ATOM 0 H PHE A 3 21.238 18.421 -1.305 1.00 0.00 H new ATOM 0 HA PHE A 3 19.020 17.166 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.941 15.684 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 3 20.957 17.376 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 3 22.633 18.905 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 3 22.619 14.787 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 3 24.912 19.132 -2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 3 24.900 15.013 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 3 26.049 17.187 -1.196 1.00 0.00 H new ATOM 52 N GLY A 4 18.732 15.888 -0.323 1.00 0.00 N ATOM 53 CA GLY A 4 18.328 14.767 0.497 1.00 0.00 C ATOM 54 C GLY A 4 17.398 13.841 -0.259 1.00 0.00 C ATOM 55 O GLY A 4 16.903 14.194 -1.332 1.00 0.00 O ATOM 0 H GLY A 4 18.222 16.753 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.210 14.215 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.831 15.131 1.396 1.00 0.00 H new ATOM 59 N LYS A 5 17.165 12.658 0.278 1.00 0.00 N ATOM 60 CA LYS A 5 16.316 11.683 -0.383 1.00 0.00 C ATOM 61 C LYS A 5 14.935 11.642 0.257 1.00 0.00 C ATOM 62 O LYS A 5 14.811 11.413 1.461 1.00 0.00 O ATOM 63 CB LYS A 5 16.950 10.294 -0.327 1.00 0.00 C ATOM 64 CG LYS A 5 18.306 10.213 -1.005 1.00 0.00 C ATOM 65 CD LYS A 5 18.857 8.797 -0.976 1.00 0.00 C ATOM 66 CE LYS A 5 19.128 8.326 0.446 1.00 0.00 C ATOM 67 NZ LYS A 5 19.583 6.912 0.480 1.00 0.00 N ATOM 0 H LYS A 5 17.551 12.348 1.170 1.00 0.00 H new ATOM 0 HA LYS A 5 16.210 11.985 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.057 9.995 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.276 9.578 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.219 10.550 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.004 10.887 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.148 8.121 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.779 8.754 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.886 8.963 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.222 8.431 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.757 6.627 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.849 6.301 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.461 6.817 -0.069 1.00 0.00 H new ATOM 81 N PRO A 6 13.884 11.893 -0.534 1.00 0.00 N ATOM 82 CA PRO A 6 12.507 11.756 -0.072 1.00 0.00 C ATOM 83 C PRO A 6 12.122 10.289 0.089 1.00 0.00 C ATOM 84 O PRO A 6 11.840 9.595 -0.892 1.00 0.00 O ATOM 85 CB PRO A 6 11.684 12.417 -1.181 1.00 0.00 C ATOM 86 CG PRO A 6 12.529 12.306 -2.405 1.00 0.00 C ATOM 87 CD PRO A 6 13.959 12.344 -1.937 1.00 0.00 C ATOM 0 HA PRO A 6 12.346 12.212 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.726 11.914 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.467 13.459 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.319 11.379 -2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.324 13.125 -3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.593 11.688 -2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.378 13.347 -2.012 1.00 0.00 H new ATOM 95 N ASN A 7 12.147 9.814 1.322 1.00 0.00 N ATOM 96 CA ASN A 7 11.843 8.420 1.609 1.00 0.00 C ATOM 97 C ASN A 7 10.352 8.169 1.456 1.00 0.00 C ATOM 98 O ASN A 7 9.544 8.643 2.257 1.00 0.00 O ATOM 99 CB ASN A 7 12.301 8.037 3.021 1.00 0.00 C ATOM 100 CG ASN A 7 13.799 8.197 3.212 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.576 7.285 2.935 1.00 0.00 O ATOM 102 ND2 ASN A 7 14.214 9.357 3.698 1.00 0.00 N ATOM 0 H ASN A 7 12.375 10.374 2.144 1.00 0.00 H new ATOM 0 HA ASN A 7 12.385 7.799 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.777 8.656 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.021 7.003 3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.209 9.518 3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.539 10.090 3.916 1.00 0.00 H new ATOM 109 N GLN A 8 9.988 7.447 0.407 1.00 0.00 N ATOM 110 CA GLN A 8 8.592 7.173 0.129 1.00 0.00 C ATOM 111 C GLN A 8 8.327 5.675 0.095 1.00 0.00 C ATOM 112 O GLN A 8 9.107 4.899 -0.461 1.00 0.00 O ATOM 113 CB GLN A 8 8.169 7.821 -1.193 1.00 0.00 C ATOM 114 CG GLN A 8 8.973 7.356 -2.400 1.00 0.00 C ATOM 115 CD GLN A 8 8.520 8.016 -3.687 1.00 0.00 C ATOM 116 OE1 GLN A 8 8.046 9.152 -3.684 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.654 7.306 -4.794 1.00 0.00 N ATOM 0 H GLN A 8 10.641 7.042 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 8 7.997 7.605 0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.115 7.608 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.264 8.903 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.028 7.574 -2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.882 6.274 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.052 6.368 -4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.360 7.696 -5.689 1.00 0.00 H new ATOM 126 N VAL A 9 7.233 5.279 0.716 1.00 0.00 N ATOM 127 CA VAL A 9 6.802 3.896 0.715 1.00 0.00 C ATOM 128 C VAL A 9 5.729 3.704 -0.348 1.00 0.00 C ATOM 129 O VAL A 9 4.781 4.484 -0.428 1.00 0.00 O ATOM 130 CB VAL A 9 6.254 3.478 2.096 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.805 2.025 2.089 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.300 3.705 3.176 1.00 0.00 C ATOM 0 H VAL A 9 6.619 5.907 1.235 1.00 0.00 H new ATOM 0 HA VAL A 9 7.663 3.266 0.492 1.00 0.00 H new ATOM 0 HB VAL A 9 5.386 4.099 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.424 1.757 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.018 1.891 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.651 1.384 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.896 3.405 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.187 3.112 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.568 4.761 3.207 1.00 0.00 H new ATOM 142 N THR A 10 5.888 2.685 -1.173 1.00 0.00 N ATOM 143 CA THR A 10 4.962 2.447 -2.264 1.00 0.00 C ATOM 144 C THR A 10 3.848 1.499 -1.830 1.00 0.00 C ATOM 145 O THR A 10 4.061 0.297 -1.683 1.00 0.00 O ATOM 146 CB THR A 10 5.696 1.876 -3.491 1.00 0.00 C ATOM 147 OG1 THR A 10 6.815 2.714 -3.809 1.00 0.00 O ATOM 148 CG2 THR A 10 4.767 1.788 -4.694 1.00 0.00 C ATOM 0 H THR A 10 6.649 2.010 -1.108 1.00 0.00 H new ATOM 0 HA THR A 10 4.518 3.403 -2.541 1.00 0.00 H new ATOM 0 HB THR A 10 6.039 0.870 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.284 2.351 -4.589 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.312 1.381 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.926 1.137 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.397 2.783 -4.942 1.00 0.00 H new ATOM 156 N VAL A 11 2.671 2.056 -1.596 1.00 0.00 N ATOM 157 CA VAL A 11 1.513 1.267 -1.210 1.00 0.00 C ATOM 158 C VAL A 11 0.666 0.955 -2.438 1.00 0.00 C ATOM 159 O VAL A 11 0.351 1.847 -3.224 1.00 0.00 O ATOM 160 CB VAL A 11 0.652 2.012 -0.164 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.526 1.158 0.280 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.496 2.424 1.032 1.00 0.00 C ATOM 0 H VAL A 11 2.492 3.058 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 11 1.870 0.339 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 11 0.258 2.914 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.115 1.705 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.150 0.922 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.158 0.234 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.871 2.947 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.925 1.537 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.298 3.084 0.701 1.00 0.00 H new ATOM 172 N ASN A 12 0.317 -0.307 -2.615 1.00 0.00 N ATOM 173 CA ASN A 12 -0.478 -0.716 -3.763 1.00 0.00 C ATOM 174 C ASN A 12 -1.711 -1.479 -3.298 1.00 0.00 C ATOM 175 O ASN A 12 -1.619 -2.390 -2.473 1.00 0.00 O ATOM 176 CB ASN A 12 0.357 -1.581 -4.715 1.00 0.00 C ATOM 177 CG ASN A 12 -0.261 -1.711 -6.100 1.00 0.00 C ATOM 178 OD1 ASN A 12 -1.476 -1.634 -6.270 1.00 0.00 O ATOM 179 ND2 ASN A 12 0.578 -1.910 -7.104 1.00 0.00 N ATOM 0 H ASN A 12 0.570 -1.065 -1.982 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.798 0.176 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.354 -1.150 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.478 -2.574 -4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.222 -2.005 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.581 -1.969 -6.927 1.00 0.00 H new ATOM 186 N TYR A 13 -2.861 -1.091 -3.821 1.00 0.00 N ATOM 187 CA TYR A 13 -4.119 -1.735 -3.481 1.00 0.00 C ATOM 188 C TYR A 13 -4.436 -2.804 -4.518 1.00 0.00 C ATOM 189 O TYR A 13 -4.760 -2.493 -5.669 1.00 0.00 O ATOM 190 CB TYR A 13 -5.250 -0.704 -3.423 1.00 0.00 C ATOM 191 CG TYR A 13 -4.994 0.451 -2.473 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.136 1.489 -2.821 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.614 0.505 -1.232 1.00 0.00 C ATOM 194 CE1 TYR A 13 -3.905 2.544 -1.960 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.388 1.557 -0.366 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.533 2.573 -0.734 1.00 0.00 C ATOM 197 OH TYR A 13 -4.310 3.622 0.127 1.00 0.00 O ATOM 0 H TYR A 13 -2.950 -0.326 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.028 -2.199 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.415 -0.306 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.170 -1.207 -3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.642 1.470 -3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.285 -0.289 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.236 3.342 -2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.879 1.583 0.595 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.352 3.301 1.052 1.00 0.00 H new ATOM 207 N LEU A 14 -4.329 -4.059 -4.115 1.00 0.00 N ATOM 208 CA LEU A 14 -4.490 -5.168 -5.036 1.00 0.00 C ATOM 209 C LEU A 14 -5.829 -5.857 -4.843 1.00 0.00 C ATOM 210 O LEU A 14 -6.307 -6.009 -3.723 1.00 0.00 O ATOM 211 CB LEU A 14 -3.362 -6.178 -4.840 1.00 0.00 C ATOM 212 CG LEU A 14 -1.954 -5.611 -5.001 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.915 -6.679 -4.712 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.758 -5.042 -6.397 1.00 0.00 C ATOM 0 H LEU A 14 -4.131 -4.334 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.453 -4.769 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.451 -6.611 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.494 -6.991 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.828 -4.801 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.083 -6.257 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.037 -7.038 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.044 -7.509 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.748 -4.644 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.906 -5.830 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.480 -4.244 -6.569 1.00 0.00 H new ATOM 226 N ASP A 15 -6.427 -6.266 -5.945 1.00 0.00 N ATOM 227 CA ASP A 15 -7.688 -6.999 -5.917 1.00 0.00 C ATOM 228 C ASP A 15 -7.450 -8.487 -6.151 1.00 0.00 C ATOM 229 O ASP A 15 -7.409 -8.944 -7.293 1.00 0.00 O ATOM 230 CB ASP A 15 -8.661 -6.446 -6.965 1.00 0.00 C ATOM 231 CG ASP A 15 -9.946 -7.255 -7.072 1.00 0.00 C ATOM 232 OD1 ASP A 15 -10.755 -7.244 -6.125 1.00 0.00 O ATOM 233 OD2 ASP A 15 -10.160 -7.897 -8.119 1.00 0.00 O ATOM 0 H ASP A 15 -6.059 -6.103 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.133 -6.869 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.908 -5.414 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.168 -6.429 -7.937 1.00 0.00 H new ATOM 238 N GLU A 16 -7.226 -9.208 -5.054 1.00 0.00 N ATOM 239 CA GLU A 16 -7.114 -10.672 -5.043 1.00 0.00 C ATOM 240 C GLU A 16 -5.907 -11.180 -5.839 1.00 0.00 C ATOM 241 O GLU A 16 -4.897 -11.579 -5.261 1.00 0.00 O ATOM 242 CB GLU A 16 -8.401 -11.317 -5.569 1.00 0.00 C ATOM 243 CG GLU A 16 -8.372 -12.836 -5.542 1.00 0.00 C ATOM 244 CD GLU A 16 -9.630 -13.450 -6.112 1.00 0.00 C ATOM 245 OE1 GLU A 16 -9.776 -13.470 -7.351 1.00 0.00 O ATOM 246 OE2 GLU A 16 -10.473 -13.927 -5.325 1.00 0.00 O ATOM 0 H GLU A 16 -7.115 -8.788 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.961 -10.964 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.244 -10.967 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.574 -10.983 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.510 -13.190 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.239 -13.175 -4.515 1.00 0.00 H new ATOM 253 N ASN A 17 -6.012 -11.143 -7.159 1.00 0.00 N ATOM 254 CA ASN A 17 -4.998 -11.714 -8.040 1.00 0.00 C ATOM 255 C ASN A 17 -3.845 -10.741 -8.262 1.00 0.00 C ATOM 256 O ASN A 17 -3.099 -10.865 -9.232 1.00 0.00 O ATOM 257 CB ASN A 17 -5.626 -12.096 -9.385 1.00 0.00 C ATOM 258 CG ASN A 17 -6.093 -10.903 -10.185 1.00 0.00 C ATOM 259 OD1 ASN A 17 -5.234 -10.405 -11.055 1.00 0.00 O flip ATOM 260 ND2 ASN A 17 -7.227 -10.448 -10.039 1.00 0.00 N flip ATOM 0 H ASN A 17 -6.799 -10.719 -7.651 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.599 -12.607 -7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.898 -12.656 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.472 -12.760 -9.208 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.859 -10.863 -9.355 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.535 -9.655 -10.602 1.00 0.00 H new ATOM 267 N ASN A 18 -3.707 -9.789 -7.343 1.00 0.00 N ATOM 268 CA ASN A 18 -2.669 -8.757 -7.411 1.00 0.00 C ATOM 269 C ASN A 18 -3.010 -7.724 -8.478 1.00 0.00 C ATOM 270 O ASN A 18 -2.140 -7.005 -8.967 1.00 0.00 O ATOM 271 CB ASN A 18 -1.275 -9.354 -7.670 1.00 0.00 C ATOM 272 CG ASN A 18 -0.798 -10.250 -6.543 1.00 0.00 C ATOM 273 OD1 ASN A 18 -1.160 -10.061 -5.383 1.00 0.00 O ATOM 274 ND2 ASN A 18 0.021 -11.236 -6.877 1.00 0.00 N ATOM 0 H ASN A 18 -4.313 -9.709 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.638 -8.267 -6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.297 -9.926 -8.598 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.559 -8.544 -7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.374 -11.871 -6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.299 -11.361 -7.851 1.00 0.00 H new ATOM 281 N THR A 19 -4.289 -7.647 -8.821 1.00 0.00 N ATOM 282 CA THR A 19 -4.772 -6.634 -9.741 1.00 0.00 C ATOM 283 C THR A 19 -4.660 -5.255 -9.100 1.00 0.00 C ATOM 284 O THR A 19 -5.303 -4.983 -8.085 1.00 0.00 O ATOM 285 CB THR A 19 -6.241 -6.914 -10.145 1.00 0.00 C ATOM 286 OG1 THR A 19 -6.302 -7.996 -11.072 1.00 0.00 O ATOM 287 CG2 THR A 19 -6.902 -5.702 -10.768 1.00 0.00 C ATOM 0 H THR A 19 -5.011 -8.278 -8.473 1.00 0.00 H new ATOM 0 HA THR A 19 -4.157 -6.663 -10.641 1.00 0.00 H new ATOM 0 HB THR A 19 -6.777 -7.168 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.533 -8.588 -10.935 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.930 -5.945 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.898 -4.878 -10.054 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.354 -5.409 -11.664 1.00 0.00 H new ATOM 295 N SER A 20 -3.826 -4.399 -9.672 1.00 0.00 N ATOM 296 CA SER A 20 -3.665 -3.048 -9.163 1.00 0.00 C ATOM 297 C SER A 20 -4.884 -2.208 -9.534 1.00 0.00 C ATOM 298 O SER A 20 -4.963 -1.646 -10.627 1.00 0.00 O ATOM 299 CB SER A 20 -2.381 -2.427 -9.713 1.00 0.00 C ATOM 300 OG SER A 20 -1.266 -3.270 -9.459 1.00 0.00 O ATOM 0 H SER A 20 -3.252 -4.617 -10.487 1.00 0.00 H new ATOM 0 HA SER A 20 -3.586 -3.078 -8.076 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.482 -2.262 -10.786 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.218 -1.452 -9.255 1.00 0.00 H new ATOM 0 HG SER A 20 -0.454 -2.856 -9.820 1.00 0.00 H new ATOM 306 N ILE A 21 -5.848 -2.166 -8.627 1.00 0.00 N ATOM 307 CA ILE A 21 -7.111 -1.489 -8.878 1.00 0.00 C ATOM 308 C ILE A 21 -7.015 -0.001 -8.533 1.00 0.00 C ATOM 309 O ILE A 21 -7.713 0.834 -9.116 1.00 0.00 O ATOM 310 CB ILE A 21 -8.262 -2.171 -8.094 1.00 0.00 C ATOM 311 CG1 ILE A 21 -9.569 -1.380 -8.224 1.00 0.00 C ATOM 312 CG2 ILE A 21 -7.885 -2.362 -6.630 1.00 0.00 C ATOM 313 CD1 ILE A 21 -10.755 -2.058 -7.571 1.00 0.00 C ATOM 0 H ILE A 21 -5.779 -2.596 -7.705 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.333 -1.568 -9.942 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.425 -3.155 -8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.434 -0.395 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.786 -1.225 -9.281 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.709 -2.842 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.996 -2.989 -6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.680 -1.392 -6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.644 -1.442 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.917 -3.032 -8.033 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.559 -2.189 -6.507 1.00 0.00 H new ATOM 325 N ALA A 22 -6.124 0.329 -7.611 1.00 0.00 N ATOM 326 CA ALA A 22 -5.905 1.715 -7.230 1.00 0.00 C ATOM 327 C ALA A 22 -4.500 2.152 -7.619 1.00 0.00 C ATOM 328 O ALA A 22 -3.587 1.325 -7.684 1.00 0.00 O ATOM 329 CB ALA A 22 -6.128 1.898 -5.739 1.00 0.00 C ATOM 0 H ALA A 22 -5.541 -0.344 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.622 2.340 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.960 2.941 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.151 1.619 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.433 1.265 -5.187 1.00 0.00 H new ATOM 335 N PRO A 23 -4.316 3.450 -7.913 1.00 0.00 N ATOM 336 CA PRO A 23 -3.005 4.003 -8.266 1.00 0.00 C ATOM 337 C PRO A 23 -2.009 3.881 -7.117 1.00 0.00 C ATOM 338 O PRO A 23 -2.369 4.088 -5.953 1.00 0.00 O ATOM 339 CB PRO A 23 -3.293 5.480 -8.567 1.00 0.00 C ATOM 340 CG PRO A 23 -4.766 5.556 -8.786 1.00 0.00 C ATOM 341 CD PRO A 23 -5.365 4.481 -7.927 1.00 0.00 C ATOM 0 HA PRO A 23 -2.554 3.472 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.985 6.118 -7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.746 5.816 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.152 6.537 -8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.013 5.400 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.589 4.843 -6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.298 4.103 -8.345 1.00 0.00 H new ATOM 349 N SER A 24 -0.771 3.538 -7.453 1.00 0.00 N ATOM 350 CA SER A 24 0.290 3.364 -6.468 1.00 0.00 C ATOM 351 C SER A 24 0.394 4.576 -5.545 1.00 0.00 C ATOM 352 O SER A 24 0.636 5.698 -5.996 1.00 0.00 O ATOM 353 CB SER A 24 1.621 3.130 -7.186 1.00 0.00 C ATOM 354 OG SER A 24 1.873 4.158 -8.129 1.00 0.00 O ATOM 0 H SER A 24 -0.475 3.373 -8.415 1.00 0.00 H new ATOM 0 HA SER A 24 0.050 2.497 -5.852 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.431 3.093 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.602 2.164 -7.691 1.00 0.00 H new ATOM 0 HG SER A 24 1.531 5.009 -7.784 1.00 0.00 H new ATOM 360 N LEU A 25 0.204 4.349 -4.259 1.00 0.00 N ATOM 361 CA LEU A 25 0.242 5.416 -3.281 1.00 0.00 C ATOM 362 C LEU A 25 1.658 5.615 -2.769 1.00 0.00 C ATOM 363 O LEU A 25 2.201 4.758 -2.065 1.00 0.00 O ATOM 364 CB LEU A 25 -0.709 5.119 -2.122 1.00 0.00 C ATOM 365 CG LEU A 25 -0.718 6.159 -0.999 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.207 7.505 -1.514 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.580 5.685 0.159 1.00 0.00 C ATOM 0 H LEU A 25 0.020 3.426 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.085 6.337 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.720 5.028 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.445 4.151 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 25 0.304 6.283 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.205 8.229 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.547 7.852 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.220 7.400 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.575 6.437 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.602 5.530 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.183 4.748 0.548 1.00 0.00 H new ATOM 379 N TYR A 26 2.260 6.726 -3.144 1.00 0.00 N ATOM 380 CA TYR A 26 3.588 7.068 -2.675 1.00 0.00 C ATOM 381 C TYR A 26 3.492 7.799 -1.346 1.00 0.00 C ATOM 382 O TYR A 26 3.215 9.000 -1.296 1.00 0.00 O ATOM 383 CB TYR A 26 4.336 7.908 -3.710 1.00 0.00 C ATOM 384 CG TYR A 26 4.626 7.162 -4.996 1.00 0.00 C ATOM 385 CD1 TYR A 26 5.569 6.142 -5.029 1.00 0.00 C ATOM 386 CD2 TYR A 26 3.959 7.475 -6.174 1.00 0.00 C ATOM 387 CE1 TYR A 26 5.840 5.459 -6.198 1.00 0.00 C ATOM 388 CE2 TYR A 26 4.225 6.793 -7.347 1.00 0.00 C ATOM 389 CZ TYR A 26 5.168 5.786 -7.353 1.00 0.00 C ATOM 390 OH TYR A 26 5.440 5.107 -8.519 1.00 0.00 O ATOM 0 H TYR A 26 1.847 7.412 -3.776 1.00 0.00 H new ATOM 0 HA TYR A 26 4.155 6.149 -2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.748 8.797 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.276 8.251 -3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.099 5.879 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.221 8.264 -6.173 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.578 4.670 -6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.697 7.047 -8.254 1.00 0.00 H new ATOM 0 HH TYR A 26 4.879 5.459 -9.241 1.00 0.00 H new ATOM 400 N LEU A 27 3.688 7.053 -0.276 1.00 0.00 N ATOM 401 CA LEU A 27 3.603 7.582 1.074 1.00 0.00 C ATOM 402 C LEU A 27 4.951 8.160 1.491 1.00 0.00 C ATOM 403 O LEU A 27 5.918 7.424 1.656 1.00 0.00 O ATOM 404 CB LEU A 27 3.173 6.462 2.028 1.00 0.00 C ATOM 405 CG LEU A 27 3.047 6.847 3.502 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.993 7.924 3.694 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.705 5.622 4.330 1.00 0.00 C ATOM 0 H LEU A 27 3.912 6.059 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 27 2.863 8.382 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.212 6.074 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.892 5.647 1.946 1.00 0.00 H new ATOM 0 HG LEU A 27 4.004 7.247 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.923 8.180 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.270 8.810 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.028 7.555 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.617 5.905 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.759 5.203 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.493 4.877 4.220 1.00 0.00 H new ATOM 419 N SER A 28 5.012 9.472 1.640 1.00 0.00 N ATOM 420 CA SER A 28 6.260 10.142 1.973 1.00 0.00 C ATOM 421 C SER A 28 6.242 10.650 3.412 1.00 0.00 C ATOM 422 O SER A 28 5.186 10.990 3.951 1.00 0.00 O ATOM 423 CB SER A 28 6.502 11.299 0.998 1.00 0.00 C ATOM 424 OG SER A 28 7.668 12.038 1.335 1.00 0.00 O ATOM 0 H SER A 28 4.212 10.096 1.536 1.00 0.00 H new ATOM 0 HA SER A 28 7.075 9.423 1.884 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.600 10.907 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.638 11.963 1.000 1.00 0.00 H new ATOM 0 HG SER A 28 7.791 12.766 0.691 1.00 0.00 H new ATOM 430 N GLY A 29 7.417 10.695 4.026 1.00 0.00 N ATOM 431 CA GLY A 29 7.539 11.189 5.382 1.00 0.00 C ATOM 432 C GLY A 29 8.989 11.412 5.760 1.00 0.00 C ATOM 433 O GLY A 29 9.871 11.309 4.908 1.00 0.00 O ATOM 0 H GLY A 29 8.295 10.395 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.987 12.124 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.087 10.477 6.072 1.00 0.00 H new ATOM 437 N LEU A 30 9.240 11.712 7.024 1.00 0.00 N ATOM 438 CA LEU A 30 10.600 11.929 7.499 1.00 0.00 C ATOM 439 C LEU A 30 11.272 10.598 7.815 1.00 0.00 C ATOM 440 O LEU A 30 10.608 9.568 7.922 1.00 0.00 O ATOM 441 CB LEU A 30 10.599 12.825 8.741 1.00 0.00 C ATOM 442 CG LEU A 30 10.016 14.226 8.536 1.00 0.00 C ATOM 443 CD1 LEU A 30 10.053 15.012 9.837 1.00 0.00 C ATOM 444 CD2 LEU A 30 10.774 14.965 7.443 1.00 0.00 C ATOM 0 H LEU A 30 8.521 11.811 7.741 1.00 0.00 H new ATOM 0 HA LEU A 30 11.163 12.428 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.034 12.326 9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.624 12.924 9.098 1.00 0.00 H new ATOM 0 HG LEU A 30 8.977 14.125 8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.635 16.005 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.466 14.491 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.084 15.104 10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.346 15.959 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.823 15.056 7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.697 14.410 6.508 1.00 0.00 H new ATOM 456 N PHE A 31 12.587 10.616 7.963 1.00 0.00 N ATOM 457 CA PHE A 31 13.325 9.404 8.285 1.00 0.00 C ATOM 458 C PHE A 31 12.990 8.947 9.704 1.00 0.00 C ATOM 459 O PHE A 31 12.919 9.768 10.622 1.00 0.00 O ATOM 460 CB PHE A 31 14.831 9.640 8.140 1.00 0.00 C ATOM 461 CG PHE A 31 15.661 8.408 8.372 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.758 7.430 7.395 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.342 8.227 9.567 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.519 6.296 7.605 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.103 7.096 9.781 1.00 0.00 C ATOM 466 CZ PHE A 31 17.193 6.128 8.799 1.00 0.00 C ATOM 0 H PHE A 31 13.163 11.452 7.866 1.00 0.00 H new ATOM 0 HA PHE A 31 13.032 8.620 7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.035 10.022 7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.138 10.412 8.845 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.233 7.556 6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.276 8.980 10.339 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.587 5.541 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.628 6.967 10.716 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.789 5.242 8.965 1.00 0.00 H new ATOM 476 N ASN A 32 12.760 7.642 9.859 1.00 0.00 N ATOM 477 CA ASN A 32 12.431 7.035 11.155 1.00 0.00 C ATOM 478 C ASN A 32 11.023 7.441 11.606 1.00 0.00 C ATOM 479 O ASN A 32 10.617 7.191 12.741 1.00 0.00 O ATOM 480 CB ASN A 32 13.473 7.419 12.222 1.00 0.00 C ATOM 481 CG ASN A 32 13.287 6.672 13.531 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.890 5.506 13.552 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.558 7.346 14.638 1.00 0.00 N ATOM 0 H ASN A 32 12.796 6.973 9.090 1.00 0.00 H new ATOM 0 HA ASN A 32 12.452 5.952 11.033 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.472 7.218 11.835 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.413 8.491 12.410 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.440 6.901 15.548 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.885 8.310 14.581 1.00 0.00 H new ATOM 490 N GLU A 33 10.268 8.049 10.705 1.00 0.00 N ATOM 491 CA GLU A 33 8.913 8.470 11.023 1.00 0.00 C ATOM 492 C GLU A 33 7.960 7.290 10.906 1.00 0.00 C ATOM 493 O GLU A 33 7.920 6.613 9.877 1.00 0.00 O ATOM 494 CB GLU A 33 8.471 9.608 10.098 1.00 0.00 C ATOM 495 CG GLU A 33 7.048 10.082 10.337 1.00 0.00 C ATOM 496 CD GLU A 33 6.551 11.005 9.243 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.243 11.995 8.932 1.00 0.00 O ATOM 498 OE2 GLU A 33 5.456 10.749 8.696 1.00 0.00 O ATOM 0 H GLU A 33 10.568 8.261 9.753 1.00 0.00 H new ATOM 0 HA GLU A 33 8.894 8.838 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.150 10.451 10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.564 9.278 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.388 9.218 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.997 10.599 11.295 1.00 0.00 H new ATOM 505 N ALA A 34 7.224 7.025 11.973 1.00 0.00 N ATOM 506 CA ALA A 34 6.227 5.967 11.962 1.00 0.00 C ATOM 507 C ALA A 34 4.987 6.439 11.225 1.00 0.00 C ATOM 508 O ALA A 34 4.258 7.306 11.709 1.00 0.00 O ATOM 509 CB ALA A 34 5.878 5.545 13.379 1.00 0.00 C ATOM 0 H ALA A 34 7.298 7.528 12.857 1.00 0.00 H new ATOM 0 HA ALA A 34 6.638 5.100 11.444 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.130 4.752 13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.774 5.180 13.881 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.479 6.400 13.925 1.00 0.00 H new ATOM 515 N TYR A 35 4.756 5.881 10.052 1.00 0.00 N ATOM 516 CA TYR A 35 3.669 6.336 9.203 1.00 0.00 C ATOM 517 C TYR A 35 2.386 5.560 9.463 1.00 0.00 C ATOM 518 O TYR A 35 2.408 4.448 9.996 1.00 0.00 O ATOM 519 CB TYR A 35 4.054 6.237 7.724 1.00 0.00 C ATOM 520 CG TYR A 35 4.540 4.871 7.283 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.653 3.817 7.102 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.885 4.643 7.023 1.00 0.00 C ATOM 523 CE1 TYR A 35 4.091 2.579 6.681 1.00 0.00 C ATOM 524 CE2 TYR A 35 6.333 3.405 6.602 1.00 0.00 C ATOM 525 CZ TYR A 35 5.432 2.375 6.434 1.00 0.00 C ATOM 526 OH TYR A 35 5.871 1.145 6.001 1.00 0.00 O ATOM 0 H TYR A 35 5.305 5.113 9.665 1.00 0.00 H new ATOM 0 HA TYR A 35 3.484 7.381 9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.190 6.512 7.119 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.835 6.969 7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.601 3.970 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.594 5.448 7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.386 1.772 6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.383 3.245 6.406 1.00 0.00 H new ATOM 0 HH TYR A 35 6.835 1.184 5.828 1.00 0.00 H new ATOM 536 N ASN A 36 1.273 6.159 9.077 1.00 0.00 N ATOM 537 CA ASN A 36 -0.028 5.520 9.189 1.00 0.00 C ATOM 538 C ASN A 36 -0.486 5.065 7.813 1.00 0.00 C ATOM 539 O ASN A 36 -0.477 5.846 6.861 1.00 0.00 O ATOM 540 CB ASN A 36 -1.052 6.482 9.799 1.00 0.00 C ATOM 541 CG ASN A 36 -0.745 6.819 11.246 1.00 0.00 C ATOM 542 OD1 ASN A 36 -0.218 5.993 11.993 1.00 0.00 O ATOM 543 ND2 ASN A 36 -1.072 8.035 11.654 1.00 0.00 N ATOM 0 H ASN A 36 1.244 7.098 8.679 1.00 0.00 H new ATOM 0 HA ASN A 36 0.056 4.655 9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.076 7.401 9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.045 6.038 9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.889 8.316 12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.507 8.691 11.005 1.00 0.00 H new ATOM 550 N VAL A 37 -0.874 3.804 7.704 1.00 0.00 N ATOM 551 CA VAL A 37 -1.260 3.236 6.421 1.00 0.00 C ATOM 552 C VAL A 37 -2.748 3.448 6.160 1.00 0.00 C ATOM 553 O VAL A 37 -3.595 2.952 6.904 1.00 0.00 O ATOM 554 CB VAL A 37 -0.939 1.728 6.352 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.316 1.150 4.994 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.533 1.482 6.648 1.00 0.00 C ATOM 0 H VAL A 37 -0.930 3.154 8.488 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.682 3.752 5.654 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.535 1.221 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.079 0.086 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.384 1.287 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.755 1.662 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.741 0.413 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.144 2.008 5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.769 1.849 7.647 1.00 0.00 H new ATOM 566 N PRO A 38 -3.085 4.213 5.113 1.00 0.00 N ATOM 567 CA PRO A 38 -4.466 4.448 4.716 1.00 0.00 C ATOM 568 C PRO A 38 -5.044 3.268 3.945 1.00 0.00 C ATOM 569 O PRO A 38 -4.744 3.075 2.764 1.00 0.00 O ATOM 570 CB PRO A 38 -4.390 5.691 3.812 1.00 0.00 C ATOM 571 CG PRO A 38 -2.957 6.123 3.821 1.00 0.00 C ATOM 572 CD PRO A 38 -2.153 4.927 4.238 1.00 0.00 C ATOM 0 HA PRO A 38 -5.117 4.583 5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.720 5.458 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.039 6.484 4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.651 6.471 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.806 6.952 4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.853 4.321 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.241 5.213 4.762 1.00 0.00 H new ATOM 580 N MET A 39 -5.849 2.463 4.620 1.00 0.00 N ATOM 581 CA MET A 39 -6.507 1.341 3.974 1.00 0.00 C ATOM 582 C MET A 39 -7.862 1.784 3.446 1.00 0.00 C ATOM 583 O MET A 39 -8.785 2.050 4.220 1.00 0.00 O ATOM 584 CB MET A 39 -6.673 0.169 4.945 1.00 0.00 C ATOM 585 CG MET A 39 -5.358 -0.333 5.518 1.00 0.00 C ATOM 586 SD MET A 39 -5.565 -1.790 6.559 1.00 0.00 S ATOM 587 CE MET A 39 -3.901 -1.985 7.190 1.00 0.00 C ATOM 0 H MET A 39 -6.061 2.566 5.612 1.00 0.00 H new ATOM 0 HA MET A 39 -5.887 1.002 3.144 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.324 0.475 5.764 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.173 -0.651 4.430 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.677 -0.569 4.701 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.893 0.462 6.101 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.797 -2.970 7.645 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.188 -1.886 6.372 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.703 -1.217 7.938 1.00 0.00 H new ATOM 597 N LYS A 40 -7.968 1.894 2.134 1.00 0.00 N ATOM 598 CA LYS A 40 -9.190 2.366 1.507 1.00 0.00 C ATOM 599 C LYS A 40 -10.118 1.200 1.207 1.00 0.00 C ATOM 600 O LYS A 40 -9.687 0.168 0.695 1.00 0.00 O ATOM 601 CB LYS A 40 -8.888 3.101 0.204 1.00 0.00 C ATOM 602 CG LYS A 40 -7.891 4.236 0.338 1.00 0.00 C ATOM 603 CD LYS A 40 -7.735 4.959 -0.987 1.00 0.00 C ATOM 604 CE LYS A 40 -6.611 5.984 -0.953 1.00 0.00 C ATOM 605 NZ LYS A 40 -6.509 6.724 -2.239 1.00 0.00 N ATOM 0 H LYS A 40 -7.220 1.662 1.480 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.672 3.052 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.507 2.384 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.820 3.498 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.226 4.935 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.927 3.846 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.538 4.232 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.671 5.457 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.784 6.688 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.666 5.482 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.733 7.414 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.320 6.054 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.403 7.222 -2.425 1.00 0.00 H new ATOM 619 N LYS A 41 -11.387 1.370 1.515 1.00 0.00 N ATOM 620 CA LYS A 41 -12.368 0.360 1.180 1.00 0.00 C ATOM 621 C LYS A 41 -12.900 0.645 -0.217 1.00 0.00 C ATOM 622 O LYS A 41 -13.849 1.408 -0.394 1.00 0.00 O ATOM 623 CB LYS A 41 -13.499 0.344 2.213 1.00 0.00 C ATOM 624 CG LYS A 41 -14.446 -0.837 2.073 1.00 0.00 C ATOM 625 CD LYS A 41 -15.464 -0.867 3.203 1.00 0.00 C ATOM 626 CE LYS A 41 -16.407 -2.053 3.082 1.00 0.00 C ATOM 627 NZ LYS A 41 -15.685 -3.353 3.132 1.00 0.00 N ATOM 0 H LYS A 41 -11.761 2.190 1.992 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.905 -0.627 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.064 0.332 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.071 1.268 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.964 -0.779 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.875 -1.765 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.944 -0.912 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.041 0.058 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.140 -2.015 3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.959 -1.982 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.367 -4.123 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.184 -3.507 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.998 -3.339 3.913 1.00 0.00 H new ATOM 641 N ILE A 42 -12.258 0.045 -1.208 1.00 0.00 N ATOM 642 CA ILE A 42 -12.567 0.321 -2.604 1.00 0.00 C ATOM 643 C ILE A 42 -13.814 -0.432 -3.040 1.00 0.00 C ATOM 644 O ILE A 42 -13.842 -1.659 -3.007 1.00 0.00 O ATOM 645 CB ILE A 42 -11.386 -0.064 -3.521 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.111 0.658 -3.072 1.00 0.00 C ATOM 647 CG2 ILE A 42 -11.709 0.275 -4.971 1.00 0.00 C ATOM 648 CD1 ILE A 42 -8.878 0.259 -3.852 1.00 0.00 C ATOM 0 H ILE A 42 -11.515 -0.640 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.747 1.392 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.221 -1.139 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.260 1.733 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.942 0.455 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.867 -0.002 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.596 -0.275 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.895 1.345 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.016 0.811 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.703 -0.810 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.025 0.488 -4.907 1.00 0.00 H new ATOM 660 N LYS A 43 -14.847 0.318 -3.419 1.00 0.00 N ATOM 661 CA LYS A 43 -16.117 -0.256 -3.873 1.00 0.00 C ATOM 662 C LYS A 43 -16.706 -1.204 -2.829 1.00 0.00 C ATOM 663 O LYS A 43 -17.468 -2.116 -3.152 1.00 0.00 O ATOM 664 CB LYS A 43 -15.941 -0.981 -5.211 1.00 0.00 C ATOM 665 CG LYS A 43 -15.653 -0.048 -6.378 1.00 0.00 C ATOM 666 CD LYS A 43 -15.635 -0.799 -7.698 1.00 0.00 C ATOM 667 CE LYS A 43 -15.550 0.149 -8.885 1.00 0.00 C ATOM 668 NZ LYS A 43 -14.231 0.832 -8.976 1.00 0.00 N ATOM 0 H LYS A 43 -14.830 1.338 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.817 0.568 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.125 -1.699 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.845 -1.551 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.410 0.736 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.692 0.443 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.786 -1.482 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.535 -1.408 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.731 -0.408 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.338 0.898 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.224 1.466 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.067 1.386 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.479 0.122 -9.080 1.00 0.00 H new ATOM 682 N GLY A 44 -16.358 -0.963 -1.576 1.00 0.00 N ATOM 683 CA GLY A 44 -16.875 -1.766 -0.489 1.00 0.00 C ATOM 684 C GLY A 44 -16.188 -3.114 -0.351 1.00 0.00 C ATOM 685 O GLY A 44 -16.647 -3.958 0.416 1.00 0.00 O ATOM 0 H GLY A 44 -15.721 -0.219 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.765 -1.214 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.943 -1.925 -0.641 1.00 0.00 H new ATOM 689 N TYR A 45 -15.089 -3.321 -1.072 1.00 0.00 N ATOM 690 CA TYR A 45 -14.365 -4.594 -1.025 1.00 0.00 C ATOM 691 C TYR A 45 -13.909 -4.937 0.391 1.00 0.00 C ATOM 692 O TYR A 45 -13.794 -4.061 1.255 1.00 0.00 O ATOM 693 CB TYR A 45 -13.152 -4.575 -1.961 1.00 0.00 C ATOM 694 CG TYR A 45 -13.499 -4.644 -3.433 1.00 0.00 C ATOM 695 CD1 TYR A 45 -14.801 -4.882 -3.857 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.517 -4.474 -4.401 1.00 0.00 C ATOM 697 CE1 TYR A 45 -15.111 -4.949 -5.201 1.00 0.00 C ATOM 698 CE2 TYR A 45 -12.820 -4.542 -5.745 1.00 0.00 C ATOM 699 CZ TYR A 45 -14.117 -4.779 -6.140 1.00 0.00 C ATOM 700 OH TYR A 45 -14.419 -4.853 -7.479 1.00 0.00 O ATOM 0 H TYR A 45 -14.679 -2.626 -1.696 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.063 -5.362 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.580 -3.666 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.503 -5.415 -1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.583 -5.017 -3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.498 -4.285 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.128 -5.134 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.043 -4.410 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.605 -4.709 -8.006 1.00 0.00 H new ATOM 710 N THR A 46 -13.647 -6.212 0.611 1.00 0.00 N ATOM 711 CA THR A 46 -13.249 -6.711 1.913 1.00 0.00 C ATOM 712 C THR A 46 -11.765 -7.061 1.886 1.00 0.00 C ATOM 713 O THR A 46 -11.261 -7.492 0.856 1.00 0.00 O ATOM 714 CB THR A 46 -14.074 -7.966 2.273 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.468 -7.715 2.048 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.863 -8.374 3.722 1.00 0.00 C ATOM 0 H THR A 46 -13.704 -6.932 -0.110 1.00 0.00 H new ATOM 0 HA THR A 46 -13.430 -5.942 2.664 1.00 0.00 H new ATOM 0 HB THR A 46 -13.735 -8.782 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.986 -8.515 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.458 -9.260 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.809 -8.595 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.170 -7.559 4.378 1.00 0.00 H new ATOM 724 N LEU A 47 -11.056 -6.855 2.987 1.00 0.00 N ATOM 725 CA LEU A 47 -9.639 -7.192 3.028 1.00 0.00 C ATOM 726 C LEU A 47 -9.461 -8.707 3.033 1.00 0.00 C ATOM 727 O LEU A 47 -9.841 -9.380 3.993 1.00 0.00 O ATOM 728 CB LEU A 47 -8.964 -6.585 4.258 1.00 0.00 C ATOM 729 CG LEU A 47 -7.435 -6.645 4.252 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.875 -5.873 3.069 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.874 -6.096 5.553 1.00 0.00 C ATOM 0 H LEU A 47 -11.430 -6.463 3.851 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.166 -6.776 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.271 -5.543 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.329 -7.101 5.146 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.135 -7.689 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.786 -5.927 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.249 -6.307 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.187 -4.831 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.785 -6.147 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.186 -5.059 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.247 -6.688 6.389 1.00 0.00 H new ATOM 743 N LEU A 48 -8.894 -9.228 1.951 1.00 0.00 N ATOM 744 CA LEU A 48 -8.658 -10.661 1.811 1.00 0.00 C ATOM 745 C LEU A 48 -7.732 -11.160 2.910 1.00 0.00 C ATOM 746 O LEU A 48 -8.096 -12.037 3.699 1.00 0.00 O ATOM 747 CB LEU A 48 -8.040 -10.957 0.436 1.00 0.00 C ATOM 748 CG LEU A 48 -7.598 -12.406 0.201 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.780 -13.356 0.290 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.911 -12.541 -1.149 1.00 0.00 C ATOM 0 H LEU A 48 -8.587 -8.674 1.151 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.613 -11.180 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.765 -10.689 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.176 -10.307 0.299 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.887 -12.673 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.440 -14.377 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.231 -13.284 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.519 -13.089 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.604 -13.576 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.602 -12.249 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.034 -11.895 -1.177 1.00 0.00 H new ATOM 762 N LYS A 49 -6.552 -10.568 2.968 1.00 0.00 N ATOM 763 CA LYS A 49 -5.519 -10.990 3.897 1.00 0.00 C ATOM 764 C LYS A 49 -4.355 -10.020 3.847 1.00 0.00 C ATOM 765 O LYS A 49 -3.801 -9.755 2.779 1.00 0.00 O ATOM 766 CB LYS A 49 -5.033 -12.403 3.559 1.00 0.00 C ATOM 767 CG LYS A 49 -3.953 -12.920 4.495 1.00 0.00 C ATOM 768 CD LYS A 49 -3.472 -14.301 4.089 1.00 0.00 C ATOM 769 CE LYS A 49 -2.421 -14.828 5.052 1.00 0.00 C ATOM 770 NZ LYS A 49 -2.961 -14.999 6.427 1.00 0.00 N ATOM 0 H LYS A 49 -6.284 -9.783 2.374 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.939 -10.999 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.882 -13.086 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.651 -12.411 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.111 -12.228 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.340 -12.954 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.318 -14.988 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.058 -14.262 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.044 -15.784 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.575 -14.141 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.293 -15.559 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.092 -14.066 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.875 -15.492 6.382 1.00 0.00 H new ATOM 784 N TYR A 50 -3.995 -9.482 4.995 1.00 0.00 N ATOM 785 CA TYR A 50 -2.893 -8.551 5.067 1.00 0.00 C ATOM 786 C TYR A 50 -1.584 -9.302 5.269 1.00 0.00 C ATOM 787 O TYR A 50 -1.219 -9.659 6.391 1.00 0.00 O ATOM 788 CB TYR A 50 -3.115 -7.542 6.189 1.00 0.00 C ATOM 789 CG TYR A 50 -2.447 -6.220 5.921 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.973 -5.352 4.977 1.00 0.00 C ATOM 791 CD2 TYR A 50 -1.294 -5.847 6.591 1.00 0.00 C ATOM 792 CE1 TYR A 50 -2.368 -4.143 4.708 1.00 0.00 C ATOM 793 CE2 TYR A 50 -0.682 -4.639 6.328 1.00 0.00 C ATOM 794 CZ TYR A 50 -1.223 -3.789 5.386 1.00 0.00 C ATOM 795 OH TYR A 50 -0.619 -2.583 5.119 1.00 0.00 O ATOM 0 H TYR A 50 -4.450 -9.674 5.887 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.837 -8.004 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.185 -7.383 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.734 -7.954 7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.871 -5.627 4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.868 -6.511 7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.790 -3.477 3.970 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.217 -4.360 6.857 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.128 -2.108 4.429 1.00 0.00 H new ATOM 805 N ASP A 51 -0.904 -9.573 4.164 1.00 0.00 N ATOM 806 CA ASP A 51 0.367 -10.286 4.191 1.00 0.00 C ATOM 807 C ASP A 51 1.524 -9.302 4.337 1.00 0.00 C ATOM 808 O ASP A 51 2.658 -9.684 4.623 1.00 0.00 O ATOM 809 CB ASP A 51 0.524 -11.115 2.911 1.00 0.00 C ATOM 810 CG ASP A 51 1.765 -11.987 2.917 1.00 0.00 C ATOM 811 OD1 ASP A 51 1.797 -12.972 3.684 1.00 0.00 O ATOM 812 OD2 ASP A 51 2.703 -11.702 2.143 1.00 0.00 O ATOM 0 H ASP A 51 -1.214 -9.307 3.229 1.00 0.00 H new ATOM 0 HA ASP A 51 0.380 -10.958 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.356 -11.746 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.562 -10.444 2.053 1.00 0.00 H new ATOM 817 N SER A 52 1.221 -8.026 4.146 1.00 0.00 N ATOM 818 CA SER A 52 2.218 -6.974 4.250 1.00 0.00 C ATOM 819 C SER A 52 2.337 -6.472 5.692 1.00 0.00 C ATOM 820 O SER A 52 1.742 -7.044 6.606 1.00 0.00 O ATOM 821 CB SER A 52 1.849 -5.837 3.297 1.00 0.00 C ATOM 822 OG SER A 52 0.441 -5.678 3.221 1.00 0.00 O ATOM 0 H SER A 52 0.284 -7.694 3.916 1.00 0.00 H new ATOM 0 HA SER A 52 3.192 -7.372 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.306 -4.908 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.250 -6.044 2.305 1.00 0.00 H new ATOM 0 HG SER A 52 0.154 -5.743 2.286 1.00 0.00 H new ATOM 828 N GLU A 53 3.102 -5.405 5.893 1.00 0.00 N ATOM 829 CA GLU A 53 3.382 -4.909 7.234 1.00 0.00 C ATOM 830 C GLU A 53 2.817 -3.501 7.425 1.00 0.00 C ATOM 831 O GLU A 53 2.634 -2.759 6.460 1.00 0.00 O ATOM 832 CB GLU A 53 4.896 -4.920 7.472 1.00 0.00 C ATOM 833 CG GLU A 53 5.308 -4.624 8.905 1.00 0.00 C ATOM 834 CD GLU A 53 6.809 -4.664 9.089 1.00 0.00 C ATOM 835 OE1 GLU A 53 7.466 -3.624 8.876 1.00 0.00 O ATOM 836 OE2 GLU A 53 7.342 -5.739 9.436 1.00 0.00 O ATOM 0 H GLU A 53 3.539 -4.867 5.144 1.00 0.00 H new ATOM 0 HA GLU A 53 2.898 -5.560 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.289 -5.896 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.360 -4.185 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.935 -3.641 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.843 -5.350 9.572 1.00 0.00 H new ATOM 843 N ILE A 54 2.525 -3.153 8.674 1.00 0.00 N ATOM 844 CA ILE A 54 2.024 -1.824 9.021 1.00 0.00 C ATOM 845 C ILE A 54 2.783 -1.251 10.209 1.00 0.00 C ATOM 846 O ILE A 54 3.566 -1.957 10.846 1.00 0.00 O ATOM 847 CB ILE A 54 0.522 -1.837 9.377 1.00 0.00 C ATOM 848 CG1 ILE A 54 0.186 -3.057 10.242 1.00 0.00 C ATOM 849 CG2 ILE A 54 -0.329 -1.796 8.122 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.256 -3.105 10.697 1.00 0.00 C ATOM 0 H ILE A 54 2.628 -3.780 9.472 1.00 0.00 H new ATOM 0 HA ILE A 54 2.174 -1.206 8.136 1.00 0.00 H new ATOM 0 HB ILE A 54 0.295 -0.943 9.958 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.410 -3.963 9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.834 -3.059 11.118 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.384 -1.806 8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.109 -0.887 7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.107 -2.666 7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.417 -3.996 11.304 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.480 -2.218 11.289 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.911 -3.136 9.827 1.00 0.00 H new ATOM 862 N LEU A 55 2.539 0.030 10.492 1.00 0.00 N ATOM 863 CA LEU A 55 3.116 0.712 11.655 1.00 0.00 C ATOM 864 C LEU A 55 4.637 0.783 11.556 1.00 0.00 C ATOM 865 O LEU A 55 5.333 0.924 12.563 1.00 0.00 O ATOM 866 CB LEU A 55 2.699 0.005 12.950 1.00 0.00 C ATOM 867 CG LEU A 55 1.191 -0.063 13.200 1.00 0.00 C ATOM 868 CD1 LEU A 55 0.895 -0.867 14.456 1.00 0.00 C ATOM 869 CD2 LEU A 55 0.605 1.336 13.312 1.00 0.00 C ATOM 0 H LEU A 55 1.937 0.625 9.923 1.00 0.00 H new ATOM 0 HA LEU A 55 2.732 1.732 11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.094 -1.011 12.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.168 0.516 13.791 1.00 0.00 H new ATOM 0 HG LEU A 55 0.724 -0.564 12.352 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.182 -0.905 14.618 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.280 -1.880 14.339 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.375 -0.393 15.313 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.468 1.268 13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.077 1.863 14.141 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.785 1.881 12.386 1.00 0.00 H new ATOM 881 N GLY A 56 5.142 0.706 10.332 1.00 0.00 N ATOM 882 CA GLY A 56 6.568 0.762 10.114 1.00 0.00 C ATOM 883 C GLY A 56 7.078 2.184 10.049 1.00 0.00 C ATOM 884 O GLY A 56 6.297 3.129 9.909 1.00 0.00 O ATOM 0 H GLY A 56 4.584 0.605 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.078 0.231 10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.813 0.247 9.185 1.00 0.00 H new ATOM 888 N VAL A 57 8.386 2.340 10.151 1.00 0.00 N ATOM 889 CA VAL A 57 9.004 3.652 10.094 1.00 0.00 C ATOM 890 C VAL A 57 9.738 3.834 8.774 1.00 0.00 C ATOM 891 O VAL A 57 10.291 2.877 8.225 1.00 0.00 O ATOM 892 CB VAL A 57 9.982 3.876 11.271 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.239 3.817 12.596 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.113 2.857 11.250 1.00 0.00 C ATOM 0 H VAL A 57 9.043 1.570 10.274 1.00 0.00 H new ATOM 0 HA VAL A 57 8.207 4.392 10.172 1.00 0.00 H new ATOM 0 HB VAL A 57 10.421 4.867 11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.941 3.976 13.414 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.473 4.592 12.619 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.769 2.840 12.706 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.784 3.040 12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.699 1.852 11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.667 2.948 10.316 1.00 0.00 H new ATOM 904 N PHE A 58 9.721 5.055 8.255 1.00 0.00 N ATOM 905 CA PHE A 58 10.402 5.361 7.003 1.00 0.00 C ATOM 906 C PHE A 58 11.889 5.055 7.098 1.00 0.00 C ATOM 907 O PHE A 58 12.636 5.732 7.811 1.00 0.00 O ATOM 908 CB PHE A 58 10.200 6.824 6.608 1.00 0.00 C ATOM 909 CG PHE A 58 8.813 7.139 6.133 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.436 6.857 4.833 1.00 0.00 C ATOM 911 CD2 PHE A 58 7.890 7.721 6.982 1.00 0.00 C ATOM 912 CE1 PHE A 58 7.162 7.149 4.390 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.616 8.017 6.545 1.00 0.00 C ATOM 914 CZ PHE A 58 6.250 7.729 5.248 1.00 0.00 C ATOM 0 H PHE A 58 9.243 5.849 8.681 1.00 0.00 H new ATOM 0 HA PHE A 58 9.963 4.727 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.433 7.457 7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.910 7.079 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.146 6.403 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.170 7.947 8.000 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.879 6.924 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.906 8.474 7.218 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.252 7.957 4.904 1.00 0.00 H new ATOM 924 N THR A 59 12.301 4.022 6.387 1.00 0.00 N ATOM 925 CA THR A 59 13.691 3.628 6.339 1.00 0.00 C ATOM 926 C THR A 59 14.289 4.069 5.003 1.00 0.00 C ATOM 927 O THR A 59 13.547 4.408 4.083 1.00 0.00 O ATOM 928 CB THR A 59 13.821 2.098 6.507 1.00 0.00 C ATOM 929 OG1 THR A 59 12.919 1.648 7.531 1.00 0.00 O ATOM 930 CG2 THR A 59 15.240 1.699 6.887 1.00 0.00 C ATOM 0 H THR A 59 11.681 3.435 5.829 1.00 0.00 H new ATOM 0 HA THR A 59 14.233 4.107 7.155 1.00 0.00 H new ATOM 0 HB THR A 59 13.575 1.634 5.552 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.001 0.677 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.296 0.616 6.997 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.930 2.021 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.512 2.174 7.830 1.00 0.00 H new ATOM 938 N GLU A 60 15.614 4.068 4.896 1.00 0.00 N ATOM 939 CA GLU A 60 16.281 4.493 3.667 1.00 0.00 C ATOM 940 C GLU A 60 16.060 3.488 2.533 1.00 0.00 C ATOM 941 O GLU A 60 16.406 3.749 1.380 1.00 0.00 O ATOM 942 CB GLU A 60 17.780 4.725 3.918 1.00 0.00 C ATOM 943 CG GLU A 60 18.466 3.655 4.763 1.00 0.00 C ATOM 944 CD GLU A 60 18.482 2.290 4.107 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.229 2.103 3.123 1.00 0.00 O ATOM 946 OE2 GLU A 60 17.738 1.401 4.564 1.00 0.00 O ATOM 0 H GLU A 60 16.247 3.779 5.642 1.00 0.00 H new ATOM 0 HA GLU A 60 15.837 5.438 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.289 4.788 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.906 5.690 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.491 3.965 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.959 3.582 5.725 1.00 0.00 H new ATOM 953 N SER A 61 15.497 2.339 2.874 1.00 0.00 N ATOM 954 CA SER A 61 15.134 1.338 1.889 1.00 0.00 C ATOM 955 C SER A 61 13.670 1.505 1.490 1.00 0.00 C ATOM 956 O SER A 61 12.779 1.410 2.335 1.00 0.00 O ATOM 957 CB SER A 61 15.369 -0.064 2.454 1.00 0.00 C ATOM 958 OG SER A 61 16.725 -0.244 2.831 1.00 0.00 O ATOM 0 H SER A 61 15.281 2.077 3.836 1.00 0.00 H new ATOM 0 HA SER A 61 15.758 1.469 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.724 -0.224 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.094 -0.810 1.709 1.00 0.00 H new ATOM 0 HG SER A 61 16.958 0.401 3.531 1.00 0.00 H new ATOM 964 N PRO A 62 13.406 1.776 0.201 1.00 0.00 N ATOM 965 CA PRO A 62 12.042 1.939 -0.312 1.00 0.00 C ATOM 966 C PRO A 62 11.189 0.699 -0.063 1.00 0.00 C ATOM 967 O PRO A 62 11.451 -0.373 -0.614 1.00 0.00 O ATOM 968 CB PRO A 62 12.240 2.162 -1.816 1.00 0.00 C ATOM 969 CG PRO A 62 13.649 2.628 -1.955 1.00 0.00 C ATOM 970 CD PRO A 62 14.416 1.952 -0.855 1.00 0.00 C ATOM 0 HA PRO A 62 11.516 2.757 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 62 12.071 1.243 -2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.539 2.903 -2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.053 2.364 -2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.712 3.713 -1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.829 0.997 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.253 2.562 -0.514 1.00 0.00 H new ATOM 978 N GLN A 63 10.184 0.847 0.784 1.00 0.00 N ATOM 979 CA GLN A 63 9.310 -0.261 1.138 1.00 0.00 C ATOM 980 C GLN A 63 8.115 -0.329 0.196 1.00 0.00 C ATOM 981 O GLN A 63 7.677 0.690 -0.343 1.00 0.00 O ATOM 982 CB GLN A 63 8.826 -0.115 2.583 1.00 0.00 C ATOM 983 CG GLN A 63 9.936 -0.202 3.618 1.00 0.00 C ATOM 984 CD GLN A 63 9.438 0.049 5.029 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.493 0.809 5.244 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.058 -0.593 6.003 1.00 0.00 N ATOM 0 H GLN A 63 9.952 1.728 1.242 1.00 0.00 H new ATOM 0 HA GLN A 63 9.879 -1.186 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.318 0.843 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.089 -0.892 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.397 -1.189 3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.712 0.524 3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.837 -1.215 5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.757 -0.467 6.969 1.00 0.00 H new ATOM 995 N THR A 64 7.604 -1.534 -0.009 1.00 0.00 N ATOM 996 CA THR A 64 6.418 -1.736 -0.823 1.00 0.00 C ATOM 997 C THR A 64 5.326 -2.408 0.007 1.00 0.00 C ATOM 998 O THR A 64 5.519 -3.506 0.534 1.00 0.00 O ATOM 999 CB THR A 64 6.729 -2.604 -2.061 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.926 -2.135 -2.700 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.576 -2.568 -3.054 1.00 0.00 C ATOM 0 H THR A 64 7.996 -2.391 0.381 1.00 0.00 H new ATOM 0 HA THR A 64 6.075 -0.759 -1.164 1.00 0.00 H new ATOM 0 HB THR A 64 6.870 -3.632 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.118 -2.691 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.820 -3.187 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.673 -2.949 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.408 -1.541 -3.380 1.00 0.00 H new ATOM 1009 N ILE A 65 4.191 -1.737 0.137 1.00 0.00 N ATOM 1010 CA ILE A 65 3.071 -2.273 0.891 1.00 0.00 C ATOM 1011 C ILE A 65 1.959 -2.707 -0.051 1.00 0.00 C ATOM 1012 O ILE A 65 1.200 -1.880 -0.555 1.00 0.00 O ATOM 1013 CB ILE A 65 2.507 -1.251 1.905 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.588 -0.827 2.899 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.314 -1.841 2.644 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.124 0.216 3.893 1.00 0.00 C ATOM 0 H ILE A 65 4.023 -0.818 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 65 3.446 -3.132 1.448 1.00 0.00 H new ATOM 0 HB ILE A 65 2.177 -0.369 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.934 -1.706 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.443 -0.436 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.928 -1.110 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.534 -2.098 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.625 -2.738 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.944 0.468 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.805 1.111 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.288 -0.179 4.471 1.00 0.00 H new ATOM 1028 N ASN A 66 1.889 -4.000 -0.313 1.00 0.00 N ATOM 1029 CA ASN A 66 0.825 -4.543 -1.139 1.00 0.00 C ATOM 1030 C ASN A 66 -0.349 -4.961 -0.266 1.00 0.00 C ATOM 1031 O ASN A 66 -0.242 -5.886 0.541 1.00 0.00 O ATOM 1032 CB ASN A 66 1.322 -5.728 -1.970 1.00 0.00 C ATOM 1033 CG ASN A 66 2.240 -5.305 -3.105 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.139 -4.193 -3.621 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.134 -6.196 -3.506 1.00 0.00 N ATOM 0 H ASN A 66 2.554 -4.692 0.033 1.00 0.00 H new ATOM 0 HA ASN A 66 0.496 -3.766 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.852 -6.425 -1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.466 -6.263 -2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.772 -5.971 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.185 -7.108 -3.051 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.455 -4.254 -0.412 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.653 -4.528 0.362 1.00 0.00 C ATOM 1044 C ILE A 67 -3.677 -5.233 -0.516 1.00 0.00 C ATOM 1045 O ILE A 67 -4.195 -4.648 -1.466 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.259 -3.227 0.927 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.181 -2.423 1.661 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.417 -3.547 1.862 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.665 -1.097 2.207 1.00 0.00 C ATOM 0 H ILE A 67 -1.549 -3.478 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.381 -5.170 1.200 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.640 -2.626 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.793 -3.023 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.350 -2.242 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.835 -2.620 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.187 -4.090 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.058 -4.161 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.843 -0.590 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.026 -0.476 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.475 -1.269 2.916 1.00 0.00 H new ATOM 1061 N ILE A 68 -3.957 -6.488 -0.205 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.794 -7.309 -1.066 1.00 0.00 C ATOM 1063 C ILE A 68 -6.229 -7.388 -0.550 1.00 0.00 C ATOM 1064 O ILE A 68 -6.492 -7.915 0.534 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.216 -8.730 -1.216 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.769 -8.653 -1.715 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.068 -9.554 -2.173 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.094 -10.000 -1.859 1.00 0.00 C ATOM 0 H ILE A 68 -3.619 -6.960 0.634 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.807 -6.828 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.227 -9.220 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.755 -8.146 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.190 -8.040 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.645 -10.554 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.085 -9.624 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.084 -9.074 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.074 -9.859 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.074 -10.502 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.648 -10.610 -2.573 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.145 -6.854 -1.340 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.564 -6.897 -1.034 1.00 0.00 C ATOM 1082 C TYR A 69 -9.229 -8.012 -1.826 1.00 0.00 C ATOM 1083 O TYR A 69 -8.618 -8.600 -2.717 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.224 -5.557 -1.370 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.619 -4.381 -0.638 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -7.551 -3.678 -1.180 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -9.111 -3.978 0.597 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -6.988 -2.610 -0.513 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.554 -2.908 1.271 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.492 -2.227 0.711 1.00 0.00 C ATOM 1091 OH TYR A 69 -6.930 -1.164 1.383 1.00 0.00 O ATOM 0 H TYR A 69 -6.924 -6.377 -2.214 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.686 -7.089 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.148 -5.384 -2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.286 -5.615 -1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.154 -3.973 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.942 -4.509 1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.156 -2.076 -0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.947 -2.606 2.230 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.265 -0.729 0.809 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.468 -8.301 -1.487 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.236 -9.329 -2.157 1.00 0.00 C ATOM 1103 C GLN A 70 -12.588 -8.767 -2.562 1.00 0.00 C ATOM 1104 O GLN A 70 -13.259 -8.114 -1.754 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.435 -10.526 -1.224 1.00 0.00 C ATOM 1106 CG GLN A 70 -12.118 -11.717 -1.877 1.00 0.00 C ATOM 1107 CD GLN A 70 -12.511 -12.780 -0.870 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.884 -12.921 0.179 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -13.539 -13.548 -1.186 1.00 0.00 N ATOM 0 H GLN A 70 -10.972 -7.828 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.696 -9.658 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.463 -10.842 -0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.026 -10.209 -0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.007 -11.377 -2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.450 -12.153 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.034 -13.401 -2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.837 -14.288 -0.551 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.982 -8.998 -3.804 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.300 -8.597 -4.250 1.00 0.00 C ATOM 1120 C LYS A 71 -15.356 -9.441 -3.555 1.00 0.00 C ATOM 1121 O LYS A 71 -15.219 -10.659 -3.443 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.438 -8.720 -5.766 1.00 0.00 C ATOM 1123 CG LYS A 71 -15.804 -8.290 -6.273 1.00 0.00 C ATOM 1124 CD LYS A 71 -15.859 -8.248 -7.788 1.00 0.00 C ATOM 1125 CE LYS A 71 -17.160 -7.633 -8.272 1.00 0.00 C ATOM 1126 NZ LYS A 71 -17.183 -7.467 -9.748 1.00 0.00 N ATOM 0 H LYS A 71 -12.411 -9.457 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.444 -7.549 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.670 -8.113 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.256 -9.754 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.562 -8.979 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.046 -7.305 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.017 -7.671 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.760 -9.258 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.995 -8.263 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.301 -6.663 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.089 -7.044 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.402 -6.845 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.074 -8.396 -10.204 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.400 -8.785 -3.084 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.450 -9.456 -2.340 1.00 0.00 C ATOM 1142 C LYS A 72 -18.264 -10.366 -3.249 1.00 0.00 C ATOM 1143 O LYS A 72 -18.497 -10.048 -4.418 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.370 -8.427 -1.685 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.642 -7.457 -0.771 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.562 -6.360 -0.251 1.00 0.00 C ATOM 1147 CE LYS A 72 -18.821 -5.269 -1.293 1.00 0.00 C ATOM 1148 NZ LYS A 72 -19.605 -5.743 -2.467 1.00 0.00 N ATOM 0 H LYS A 72 -16.544 -7.782 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.981 -10.066 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.884 -7.864 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.136 -8.949 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.217 -8.003 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.810 -7.006 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.512 -6.800 0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.120 -5.911 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.354 -4.444 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.866 -4.874 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.242 -4.986 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.955 -5.999 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.166 -6.576 -2.196 1.00 0.00 H new ATOM 1162 N ALA A 73 -18.664 -11.502 -2.707 1.00 0.00 N ATOM 1163 CA ALA A 73 -19.578 -12.407 -3.386 1.00 0.00 C ATOM 1164 C ALA A 73 -20.967 -11.769 -3.471 1.00 0.00 C ATOM 1165 O ALA A 73 -21.215 -10.758 -2.810 1.00 0.00 O ATOM 1166 CB ALA A 73 -19.632 -13.735 -2.640 1.00 0.00 C ATOM 0 H ALA A 73 -18.366 -11.824 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 73 -19.224 -12.596 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -20.317 -14.411 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.637 -14.178 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.981 -13.566 -1.621 1.00 0.00 H new ATOM 1172 N PRO A 74 -21.879 -12.325 -4.299 1.00 0.00 N ATOM 1173 CA PRO A 74 -23.250 -11.815 -4.430 1.00 0.00 C ATOM 1174 C PRO A 74 -23.899 -11.506 -3.081 1.00 0.00 C ATOM 1175 O PRO A 74 -24.268 -12.411 -2.331 1.00 0.00 O ATOM 1176 CB PRO A 74 -23.980 -12.961 -5.127 1.00 0.00 C ATOM 1177 CG PRO A 74 -22.933 -13.622 -5.953 1.00 0.00 C ATOM 1178 CD PRO A 74 -21.642 -13.481 -5.188 1.00 0.00 C ATOM 0 HA PRO A 74 -23.283 -10.871 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -24.412 -13.654 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -24.799 -12.593 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -23.174 -14.672 -6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -22.857 -13.153 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -21.415 -14.382 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -20.799 -13.305 -5.856 1.00 0.00 H new ATOM 1186 N GLU A 75 -24.033 -10.219 -2.784 1.00 0.00 N ATOM 1187 CA GLU A 75 -24.550 -9.770 -1.496 1.00 0.00 C ATOM 1188 C GLU A 75 -26.041 -10.047 -1.375 1.00 0.00 C ATOM 1189 O GLU A 75 -26.588 -10.093 -0.277 1.00 0.00 O ATOM 1190 CB GLU A 75 -24.270 -8.280 -1.311 1.00 0.00 C ATOM 1191 CG GLU A 75 -22.790 -7.946 -1.327 1.00 0.00 C ATOM 1192 CD GLU A 75 -22.524 -6.461 -1.235 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -22.522 -5.921 -0.110 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -22.298 -5.827 -2.287 1.00 0.00 O ATOM 0 H GLU A 75 -23.789 -9.462 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 75 -24.041 -10.329 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -24.771 -7.721 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -24.701 -7.950 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -22.299 -8.451 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -22.344 -8.334 -2.243 1.00 0.00 H new ATOM 1201 N GLN A 76 -26.692 -10.242 -2.511 1.00 0.00 N ATOM 1202 CA GLN A 76 -28.104 -10.584 -2.528 1.00 0.00 C ATOM 1203 C GLN A 76 -28.295 -12.064 -2.217 1.00 0.00 C ATOM 1204 O GLN A 76 -29.396 -12.508 -1.893 1.00 0.00 O ATOM 1205 CB GLN A 76 -28.712 -10.228 -3.880 1.00 0.00 C ATOM 1206 CG GLN A 76 -28.784 -8.729 -4.113 1.00 0.00 C ATOM 1207 CD GLN A 76 -29.158 -8.365 -5.533 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -28.815 -9.071 -6.484 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -29.871 -7.263 -5.683 1.00 0.00 N ATOM 0 H GLN A 76 -26.264 -10.169 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 76 -28.618 -10.008 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -28.120 -10.687 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -29.715 -10.650 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -29.514 -8.296 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -27.819 -8.283 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -30.132 -6.710 -4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -30.160 -6.966 -6.615 1.00 0.00 H new ATOM 1218 N ALA A 77 -27.209 -12.819 -2.315 1.00 0.00 N ATOM 1219 CA ALA A 77 -27.221 -14.222 -1.942 1.00 0.00 C ATOM 1220 C ALA A 77 -26.828 -14.366 -0.477 1.00 0.00 C ATOM 1221 O ALA A 77 -27.031 -15.413 0.138 1.00 0.00 O ATOM 1222 CB ALA A 77 -26.280 -15.021 -2.830 1.00 0.00 C ATOM 0 H ALA A 77 -26.308 -12.480 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 77 -28.228 -14.616 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -26.303 -16.070 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -26.595 -14.930 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -25.266 -14.637 -2.724 1.00 0.00 H new ATOM 1228 N LEU A 78 -26.264 -13.302 0.074 1.00 0.00 N ATOM 1229 CA LEU A 78 -25.884 -13.275 1.475 1.00 0.00 C ATOM 1230 C LEU A 78 -27.053 -12.787 2.317 1.00 0.00 C ATOM 1231 O LEU A 78 -27.485 -11.640 2.191 1.00 0.00 O ATOM 1232 CB LEU A 78 -24.671 -12.364 1.688 1.00 0.00 C ATOM 1233 CG LEU A 78 -23.409 -12.763 0.922 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -22.301 -11.750 1.158 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -22.951 -14.157 1.327 1.00 0.00 C ATOM 0 H LEU A 78 -26.059 -12.441 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 78 -25.615 -14.286 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -24.945 -11.349 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -24.438 -12.341 2.752 1.00 0.00 H new ATOM 0 HG LEU A 78 -23.645 -12.776 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -21.410 -12.050 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -22.627 -10.768 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -22.070 -11.705 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -22.052 -14.421 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -22.734 -14.173 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -23.739 -14.877 1.106 1.00 0.00 H new ATOM 1247 N GLU A 79 -27.574 -13.664 3.160 1.00 0.00 N ATOM 1248 CA GLU A 79 -28.694 -13.314 4.018 1.00 0.00 C ATOM 1249 C GLU A 79 -28.281 -12.249 5.027 1.00 0.00 C ATOM 1250 O GLU A 79 -27.180 -12.290 5.578 1.00 0.00 O ATOM 1251 CB GLU A 79 -29.236 -14.556 4.731 1.00 0.00 C ATOM 1252 CG GLU A 79 -29.805 -15.595 3.777 1.00 0.00 C ATOM 1253 CD GLU A 79 -30.505 -16.733 4.492 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -31.606 -16.507 5.033 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -29.972 -17.863 4.489 1.00 0.00 O ATOM 0 H GLU A 79 -27.240 -14.622 3.268 1.00 0.00 H new ATOM 0 HA GLU A 79 -29.490 -12.905 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -28.436 -15.009 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -30.013 -14.254 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -30.508 -15.112 3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -28.999 -15.999 3.165 1.00 0.00 H new ATOM 1262 N HIS A 80 -29.172 -11.293 5.257 1.00 0.00 N ATOM 1263 CA HIS A 80 -28.881 -10.167 6.137 1.00 0.00 C ATOM 1264 C HIS A 80 -28.940 -10.623 7.582 1.00 0.00 C ATOM 1265 O HIS A 80 -28.199 -10.137 8.434 1.00 0.00 O ATOM 1266 CB HIS A 80 -29.853 -9.012 5.885 1.00 0.00 C ATOM 1267 CG HIS A 80 -29.711 -8.411 4.519 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -29.433 -7.080 4.302 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -29.813 -8.974 3.292 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -29.366 -6.853 3.003 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -29.594 -7.987 2.368 1.00 0.00 N ATOM 0 H HIS A 80 -30.105 -11.275 4.845 1.00 0.00 H new ATOM 0 HA HIS A 80 -27.876 -9.801 5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -30.874 -9.370 6.013 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -29.690 -8.238 6.635 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -30.028 -10.011 3.081 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -29.159 -5.900 2.539 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -29.605 -8.109 1.355 1.00 0.00 H new ATOM 1280 N HIS A 81 -29.834 -11.558 7.852 1.00 0.00 N ATOM 1281 CA HIS A 81 -29.813 -12.279 9.108 1.00 0.00 C ATOM 1282 C HIS A 81 -28.865 -13.451 8.938 1.00 0.00 C ATOM 1283 O HIS A 81 -29.133 -14.352 8.145 1.00 0.00 O ATOM 1284 CB HIS A 81 -31.207 -12.782 9.498 1.00 0.00 C ATOM 1285 CG HIS A 81 -32.248 -11.709 9.581 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -33.518 -11.859 9.071 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -32.211 -10.470 10.129 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -34.215 -10.762 9.296 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -33.446 -9.904 9.938 1.00 0.00 N ATOM 0 H HIS A 81 -30.583 -11.834 7.217 1.00 0.00 H new ATOM 0 HA HIS A 81 -29.483 -11.614 9.907 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -31.528 -13.528 8.771 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -31.142 -13.285 10.463 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -31.367 -10.013 10.624 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -35.241 -10.595 9.004 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -33.724 -8.971 10.243 1.00 0.00 H new ATOM 1298 N HIS A 82 -27.752 -13.425 9.664 1.00 0.00 N ATOM 1299 CA HIS A 82 -26.664 -14.380 9.447 1.00 0.00 C ATOM 1300 C HIS A 82 -27.120 -15.826 9.606 1.00 0.00 C ATOM 1301 O HIS A 82 -26.495 -16.736 9.057 1.00 0.00 O ATOM 1302 CB HIS A 82 -25.479 -14.065 10.364 1.00 0.00 C ATOM 1303 CG HIS A 82 -24.764 -12.814 9.958 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -24.599 -11.724 10.786 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -24.182 -12.479 8.784 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -23.957 -10.773 10.133 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -23.691 -11.207 8.917 1.00 0.00 N ATOM 0 H HIS A 82 -27.577 -12.752 10.410 1.00 0.00 H new ATOM 0 HA HIS A 82 -26.338 -14.270 8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -25.833 -13.962 11.390 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -24.780 -14.901 10.351 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -24.116 -13.100 7.903 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -23.694 -9.803 10.528 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.200 -10.682 8.194 1.00 0.00 H new ATOM 1316 N HIS A 83 -28.194 -16.033 10.371 1.00 0.00 N ATOM 1317 CA HIS A 83 -28.903 -17.314 10.389 1.00 0.00 C ATOM 1318 C HIS A 83 -28.053 -18.413 11.031 1.00 0.00 C ATOM 1319 O HIS A 83 -28.399 -19.592 10.973 1.00 0.00 O ATOM 1320 CB HIS A 83 -29.288 -17.694 8.949 1.00 0.00 C ATOM 1321 CG HIS A 83 -30.353 -18.739 8.836 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -31.692 -18.451 8.953 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -30.275 -20.067 8.586 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -32.394 -19.553 8.779 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -31.560 -20.549 8.555 1.00 0.00 N ATOM 0 H HIS A 83 -28.593 -15.326 10.989 1.00 0.00 H new ATOM 0 HA HIS A 83 -29.804 -17.211 10.993 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -29.624 -16.797 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -28.396 -18.047 8.431 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -29.371 -20.640 8.439 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -33.471 -19.627 8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -31.826 -21.519 8.386 1.00 0.00 H new ATOM 1334 N HIS A 84 -26.960 -18.023 11.668 1.00 0.00 N ATOM 1335 CA HIS A 84 -26.044 -18.989 12.251 1.00 0.00 C ATOM 1336 C HIS A 84 -26.013 -18.863 13.768 1.00 0.00 C ATOM 1337 O HIS A 84 -25.955 -17.761 14.315 1.00 0.00 O ATOM 1338 CB HIS A 84 -24.634 -18.818 11.675 1.00 0.00 C ATOM 1339 CG HIS A 84 -23.654 -19.842 12.170 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -23.633 -21.141 11.714 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -22.671 -19.756 13.097 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -22.680 -21.808 12.337 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -22.081 -20.992 13.181 1.00 0.00 N ATOM 0 H HIS A 84 -26.687 -17.048 11.794 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.404 -19.986 11.996 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.686 -18.873 10.588 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.266 -17.823 11.927 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -22.401 -18.878 13.665 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.432 -22.848 12.181 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.306 -21.239 13.796 1.00 0.00 H new ATOM 1352 N HIS A 85 -26.072 -20.003 14.432 1.00 0.00 N ATOM 1353 CA HIS A 85 -25.945 -20.062 15.877 1.00 0.00 C ATOM 1354 C HIS A 85 -24.541 -20.516 16.233 1.00 0.00 C ATOM 1355 O HIS A 85 -24.310 -21.742 16.270 1.00 0.00 O ATOM 1356 CB HIS A 85 -26.963 -21.031 16.482 1.00 0.00 C ATOM 1357 CG HIS A 85 -28.382 -20.752 16.098 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -29.189 -19.872 16.779 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -29.140 -21.257 15.100 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -30.383 -19.853 16.221 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -30.383 -20.686 15.197 1.00 0.00 N ATOM 1362 OXT HIS A 85 -23.671 -19.653 16.445 1.00 0.00 O ATOM 0 H HIS A 85 -26.209 -20.911 13.987 1.00 0.00 H new ATOM 0 HA HIS A 85 -26.137 -19.069 16.284 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -26.709 -22.045 16.175 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -26.879 -20.996 17.568 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -28.825 -21.979 14.361 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -31.221 -19.256 16.547 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -31.174 -20.873 14.581 1.00 0.00 H new TER 1371 HIS A 85