USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 725 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 24 ASN : amide:sc= -1.44 X(o=-2.5,f=-2.8) USER MOD Set 1.2: A 78 GLN : amide:sc= -1.1 K(o=-2.5,f=-0.52) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0431 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 58:sc= 0.00479 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 55:sc= 0.927 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -150:sc= -2.85 (180deg=-3.48!) USER MOD Single : A 15 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.7!) USER MOD Single : A 16 SER OG : rot -124:sc= 0.701 USER MOD Single : A 22 ASN : amide:sc= 0.624 K(o=0.62,f=-0.75) USER MOD Single : A 25 THR OG1 : rot 120:sc= -0.0383 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 12:sc= 0.42! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 27:sc= -5.31! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4! C(o=-4!,f=-5.6!) USER MOD Single : A 57 TYR OH : rot 4:sc= -4.51! USER MOD Single : A 59 ASN : amide:sc= -2.35! C(o=-2.3!,f=-2.5!) USER MOD Single : A 62 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.65) USER MOD Single : A 74 MET CE :methyl 159:sc= 0 (180deg=-0.495) USER MOD Single : A 83 ASN : amide:sc= -1.02 X(o=-1,f=-1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.069 K(o=-0.069,f=-1.3) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 35:sc= 0.675 USER MOD Single : A 97 SER OG : rot 180:sc=-0.00168 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.541 -20.177 5.759 1.00 0.00 N ATOM 2 CA GLY A 1 13.289 -20.177 4.513 1.00 0.00 C ATOM 3 C GLY A 1 12.611 -19.292 3.466 1.00 0.00 C ATOM 4 O GLY A 1 11.394 -19.111 3.495 1.00 0.00 O ATOM 0 H1 GLY A 1 13.092 -19.691 6.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.637 -19.682 5.621 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.358 -21.157 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.303 -19.821 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.372 -21.196 4.134 1.00 0.00 H new ATOM 8 N SER A 2 13.427 -18.764 2.566 1.00 0.00 N ATOM 9 CA SER A 2 12.920 -17.902 1.511 1.00 0.00 C ATOM 10 C SER A 2 11.881 -18.652 0.676 1.00 0.00 C ATOM 11 O SER A 2 12.160 -19.729 0.152 1.00 0.00 O ATOM 12 CB SER A 2 14.056 -17.399 0.617 1.00 0.00 C ATOM 13 OG SER A 2 14.682 -16.237 1.153 1.00 0.00 O ATOM 0 H SER A 2 14.435 -18.916 2.545 1.00 0.00 H new ATOM 0 HA SER A 2 12.448 -17.036 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.799 -18.188 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.664 -17.175 -0.375 1.00 0.00 H new ATOM 0 HG SER A 2 15.402 -15.948 0.555 1.00 0.00 H new ATOM 19 N SER A 3 10.703 -18.054 0.579 1.00 0.00 N ATOM 20 CA SER A 3 9.620 -18.652 -0.183 1.00 0.00 C ATOM 21 C SER A 3 9.226 -17.734 -1.342 1.00 0.00 C ATOM 22 O SER A 3 8.963 -16.550 -1.139 1.00 0.00 O ATOM 23 CB SER A 3 8.408 -18.931 0.708 1.00 0.00 C ATOM 24 OG SER A 3 8.670 -19.960 1.658 1.00 0.00 O ATOM 0 H SER A 3 10.475 -17.161 1.016 1.00 0.00 H new ATOM 0 HA SER A 3 9.969 -19.604 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.125 -18.018 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.560 -19.218 0.087 1.00 0.00 H new ATOM 0 HG SER A 3 7.873 -20.107 2.209 1.00 0.00 H new ATOM 30 N GLY A 4 9.199 -18.315 -2.533 1.00 0.00 N ATOM 31 CA GLY A 4 8.842 -17.564 -3.724 1.00 0.00 C ATOM 32 C GLY A 4 7.361 -17.745 -4.063 1.00 0.00 C ATOM 33 O GLY A 4 6.750 -18.742 -3.680 1.00 0.00 O ATOM 0 H GLY A 4 9.419 -19.297 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.057 -16.507 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.454 -17.894 -4.563 1.00 0.00 H new ATOM 37 N SER A 5 6.827 -16.767 -4.779 1.00 0.00 N ATOM 38 CA SER A 5 5.429 -16.805 -5.174 1.00 0.00 C ATOM 39 C SER A 5 4.534 -16.781 -3.934 1.00 0.00 C ATOM 40 O SER A 5 4.078 -17.827 -3.472 1.00 0.00 O ATOM 41 CB SER A 5 5.130 -18.045 -6.020 1.00 0.00 C ATOM 42 OG SER A 5 3.765 -18.099 -6.424 1.00 0.00 O ATOM 0 H SER A 5 7.337 -15.943 -5.096 1.00 0.00 H new ATOM 0 HA SER A 5 5.221 -15.924 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.770 -18.044 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.375 -18.941 -5.449 1.00 0.00 H new ATOM 0 HG SER A 5 3.615 -18.904 -6.963 1.00 0.00 H new ATOM 48 N SER A 6 4.308 -15.577 -3.429 1.00 0.00 N ATOM 49 CA SER A 6 3.475 -15.403 -2.251 1.00 0.00 C ATOM 50 C SER A 6 3.167 -13.919 -2.043 1.00 0.00 C ATOM 51 O SER A 6 3.772 -13.060 -2.683 1.00 0.00 O ATOM 52 CB SER A 6 4.152 -15.984 -1.008 1.00 0.00 C ATOM 53 OG SER A 6 3.461 -17.126 -0.509 1.00 0.00 O ATOM 0 H SER A 6 4.687 -14.712 -3.814 1.00 0.00 H new ATOM 0 HA SER A 6 2.541 -15.943 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.179 -16.258 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.200 -15.221 -0.231 1.00 0.00 H new ATOM 0 HG SER A 6 3.403 -17.806 -1.212 1.00 0.00 H new ATOM 59 N GLY A 7 2.226 -13.663 -1.147 1.00 0.00 N ATOM 60 CA GLY A 7 1.829 -12.298 -0.846 1.00 0.00 C ATOM 61 C GLY A 7 1.020 -12.235 0.450 1.00 0.00 C ATOM 62 O GLY A 7 -0.204 -12.114 0.417 1.00 0.00 O ATOM 0 H GLY A 7 1.726 -14.378 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.715 -11.669 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.236 -11.898 -1.669 1.00 0.00 H new ATOM 66 N LYS A 8 1.736 -12.319 1.562 1.00 0.00 N ATOM 67 CA LYS A 8 1.099 -12.273 2.867 1.00 0.00 C ATOM 68 C LYS A 8 1.733 -11.157 3.700 1.00 0.00 C ATOM 69 O LYS A 8 2.547 -10.386 3.194 1.00 0.00 O ATOM 70 CB LYS A 8 1.153 -13.647 3.539 1.00 0.00 C ATOM 71 CG LYS A 8 0.032 -14.553 3.024 1.00 0.00 C ATOM 72 CD LYS A 8 0.558 -15.536 1.977 1.00 0.00 C ATOM 73 CE LYS A 8 -0.568 -16.424 1.444 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.320 -15.723 0.379 1.00 0.00 N ATOM 0 H LYS A 8 2.751 -12.419 1.586 1.00 0.00 H new ATOM 0 HA LYS A 8 0.040 -12.034 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.119 -14.113 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.065 -13.531 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.407 -15.103 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.762 -13.945 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.013 -14.986 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.339 -16.157 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.153 -17.353 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.242 -16.693 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.081 -16.339 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.732 -14.849 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.676 -15.488 -0.403 1.00 0.00 H new ATOM 88 N THR A 9 1.335 -11.106 4.963 1.00 0.00 N ATOM 89 CA THR A 9 1.854 -10.096 5.870 1.00 0.00 C ATOM 90 C THR A 9 2.359 -10.747 7.160 1.00 0.00 C ATOM 91 O THR A 9 1.596 -10.928 8.108 1.00 0.00 O ATOM 92 CB THR A 9 0.754 -9.059 6.104 1.00 0.00 C ATOM 93 OG1 THR A 9 -0.326 -9.815 6.645 1.00 0.00 O ATOM 94 CG2 THR A 9 0.195 -8.495 4.796 1.00 0.00 C ATOM 0 H THR A 9 0.660 -11.747 5.379 1.00 0.00 H new ATOM 0 HA THR A 9 2.716 -9.585 5.441 1.00 0.00 H new ATOM 0 HB THR A 9 1.146 -8.245 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.018 -10.306 7.435 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.582 -7.764 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.996 -8.014 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.228 -9.305 4.202 1.00 0.00 H new ATOM 102 N ASP A 10 3.641 -11.082 7.153 1.00 0.00 N ATOM 103 CA ASP A 10 4.256 -11.709 8.311 1.00 0.00 C ATOM 104 C ASP A 10 5.534 -10.951 8.677 1.00 0.00 C ATOM 105 O ASP A 10 6.252 -10.475 7.799 1.00 0.00 O ATOM 106 CB ASP A 10 4.638 -13.161 8.013 1.00 0.00 C ATOM 107 CG ASP A 10 5.568 -13.352 6.814 1.00 0.00 C ATOM 108 OD1 ASP A 10 6.794 -13.222 7.020 1.00 0.00 O ATOM 109 OD2 ASP A 10 5.032 -13.624 5.717 1.00 0.00 O ATOM 0 H ASP A 10 4.270 -10.931 6.365 1.00 0.00 H new ATOM 0 HA ASP A 10 3.536 -11.685 9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.117 -13.583 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.726 -13.733 7.841 1.00 0.00 H new ATOM 114 N PRO A 11 5.785 -10.858 10.011 1.00 0.00 N ATOM 115 CA PRO A 11 6.963 -10.166 10.504 1.00 0.00 C ATOM 116 C PRO A 11 8.223 -11.007 10.290 1.00 0.00 C ATOM 117 O PRO A 11 8.422 -12.016 10.964 1.00 0.00 O ATOM 118 CB PRO A 11 6.673 -9.893 11.971 1.00 0.00 C ATOM 119 CG PRO A 11 5.554 -10.846 12.359 1.00 0.00 C ATOM 120 CD PRO A 11 4.957 -11.409 11.080 1.00 0.00 C ATOM 0 HA PRO A 11 7.159 -9.236 9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.559 -10.062 12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.373 -8.856 12.124 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.938 -11.650 12.987 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.792 -10.325 12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.981 -12.499 11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.914 -11.113 10.966 1.00 0.00 H new ATOM 128 N ARG A 12 9.042 -10.559 9.349 1.00 0.00 N ATOM 129 CA ARG A 12 10.277 -11.257 9.038 1.00 0.00 C ATOM 130 C ARG A 12 11.453 -10.278 9.031 1.00 0.00 C ATOM 131 O ARG A 12 12.417 -10.456 9.774 1.00 0.00 O ATOM 132 CB ARG A 12 10.190 -11.949 7.676 1.00 0.00 C ATOM 133 CG ARG A 12 11.454 -12.763 7.393 1.00 0.00 C ATOM 134 CD ARG A 12 11.105 -14.204 7.014 1.00 0.00 C ATOM 135 NE ARG A 12 10.334 -14.222 5.750 1.00 0.00 N ATOM 136 CZ ARG A 12 9.848 -15.334 5.183 1.00 0.00 C ATOM 137 NH1 ARG A 12 10.049 -16.525 5.763 1.00 0.00 N ATOM 138 NH2 ARG A 12 9.160 -15.255 4.036 1.00 0.00 N ATOM 0 H ARG A 12 8.874 -9.721 8.792 1.00 0.00 H new ATOM 0 HA ARG A 12 10.434 -12.013 9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.319 -12.603 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.051 -11.203 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.018 -12.297 6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.097 -12.760 8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.017 -14.790 6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.524 -14.668 7.811 1.00 0.00 H new ATOM 0 HE ARG A 12 10.162 -13.332 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.572 -16.585 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.679 -17.372 5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.006 -14.348 3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.790 -16.102 3.604 1.00 0.00 H new ATOM 152 N SER A 13 11.335 -9.266 8.184 1.00 0.00 N ATOM 153 CA SER A 13 12.376 -8.259 8.071 1.00 0.00 C ATOM 154 C SER A 13 11.886 -7.094 7.209 1.00 0.00 C ATOM 155 O SER A 13 12.274 -6.970 6.049 1.00 0.00 O ATOM 156 CB SER A 13 13.656 -8.854 7.481 1.00 0.00 C ATOM 157 OG SER A 13 14.816 -8.444 8.200 1.00 0.00 O ATOM 0 H SER A 13 10.534 -9.122 7.569 1.00 0.00 H new ATOM 0 HA SER A 13 12.606 -7.891 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.589 -9.942 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.750 -8.551 6.438 1.00 0.00 H new ATOM 0 HG SER A 13 15.612 -8.846 7.794 1.00 0.00 H new ATOM 163 N MET A 14 11.039 -6.271 7.810 1.00 0.00 N ATOM 164 CA MET A 14 10.492 -5.120 7.111 1.00 0.00 C ATOM 165 C MET A 14 9.891 -4.115 8.096 1.00 0.00 C ATOM 166 O MET A 14 9.693 -4.432 9.268 1.00 0.00 O ATOM 167 CB MET A 14 9.412 -5.584 6.132 1.00 0.00 C ATOM 168 CG MET A 14 8.264 -6.277 6.869 1.00 0.00 C ATOM 169 SD MET A 14 7.574 -7.567 5.847 1.00 0.00 S ATOM 170 CE MET A 14 8.933 -8.723 5.846 1.00 0.00 C ATOM 0 H MET A 14 10.718 -6.378 8.772 1.00 0.00 H new ATOM 0 HA MET A 14 11.300 -4.629 6.569 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.028 -4.728 5.576 1.00 0.00 H new ATOM 0 HB3 MET A 14 9.847 -6.268 5.403 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.625 -6.699 7.807 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.492 -5.550 7.122 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.934 -9.282 4.910 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.873 -8.180 5.945 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.823 -9.414 6.682 1.00 0.00 H new ATOM 180 N ASN A 15 9.617 -2.925 7.585 1.00 0.00 N ATOM 181 CA ASN A 15 9.042 -1.872 8.405 1.00 0.00 C ATOM 182 C ASN A 15 8.231 -0.925 7.517 1.00 0.00 C ATOM 183 O ASN A 15 7.103 -0.569 7.853 1.00 0.00 O ATOM 184 CB ASN A 15 10.135 -1.052 9.094 1.00 0.00 C ATOM 185 CG ASN A 15 11.375 -1.908 9.363 1.00 0.00 C ATOM 186 OD1 ASN A 15 12.044 -2.379 8.458 1.00 0.00 O ATOM 187 ND2 ASN A 15 11.642 -2.082 10.654 1.00 0.00 N ATOM 0 H ASN A 15 9.782 -2.666 6.612 1.00 0.00 H new ATOM 0 HA ASN A 15 8.411 -2.340 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.405 -0.201 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.755 -0.650 10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.449 -2.638 10.938 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.040 -1.659 11.361 1.00 0.00 H new ATOM 194 N SER A 16 8.837 -0.546 6.402 1.00 0.00 N ATOM 195 CA SER A 16 8.185 0.352 5.464 1.00 0.00 C ATOM 196 C SER A 16 7.340 -0.450 4.473 1.00 0.00 C ATOM 197 O SER A 16 7.859 -0.968 3.485 1.00 0.00 O ATOM 198 CB SER A 16 9.210 1.207 4.717 1.00 0.00 C ATOM 199 OG SER A 16 8.920 1.294 3.324 1.00 0.00 O ATOM 0 H SER A 16 9.773 -0.844 6.127 1.00 0.00 H new ATOM 0 HA SER A 16 7.535 1.022 6.027 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.228 2.209 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.205 0.783 4.854 1.00 0.00 H new ATOM 0 HG SER A 16 9.696 0.990 2.809 1.00 0.00 H new ATOM 205 N ARG A 17 6.051 -0.529 4.771 1.00 0.00 N ATOM 206 CA ARG A 17 5.129 -1.260 3.919 1.00 0.00 C ATOM 207 C ARG A 17 3.794 -0.519 3.823 1.00 0.00 C ATOM 208 O ARG A 17 3.397 0.176 4.758 1.00 0.00 O ATOM 209 CB ARG A 17 4.884 -2.671 4.455 1.00 0.00 C ATOM 210 CG ARG A 17 5.024 -3.713 3.343 1.00 0.00 C ATOM 211 CD ARG A 17 4.538 -5.085 3.812 1.00 0.00 C ATOM 212 NE ARG A 17 4.657 -6.068 2.712 1.00 0.00 N ATOM 213 CZ ARG A 17 5.781 -6.737 2.420 1.00 0.00 C ATOM 214 NH1 ARG A 17 6.889 -6.533 3.146 1.00 0.00 N ATOM 215 NH2 ARG A 17 5.797 -7.609 1.404 1.00 0.00 N ATOM 0 H ARG A 17 5.624 -0.098 5.591 1.00 0.00 H new ATOM 0 HA ARG A 17 5.580 -1.333 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.593 -2.889 5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.886 -2.730 4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.450 -3.399 2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.066 -3.780 3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.125 -5.414 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.501 -5.019 4.141 1.00 0.00 H new ATOM 0 HE ARG A 17 3.832 -6.248 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.876 -5.869 3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.745 -7.042 2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.954 -7.764 0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.653 -8.118 1.182 1.00 0.00 H new ATOM 229 N VAL A 18 3.137 -0.693 2.686 1.00 0.00 N ATOM 230 CA VAL A 18 1.854 -0.049 2.457 1.00 0.00 C ATOM 231 C VAL A 18 0.917 -1.029 1.747 1.00 0.00 C ATOM 232 O VAL A 18 1.223 -1.507 0.656 1.00 0.00 O ATOM 233 CB VAL A 18 2.054 1.255 1.682 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.722 1.977 1.470 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.064 2.162 2.387 1.00 0.00 C ATOM 0 H VAL A 18 3.469 -1.270 1.913 1.00 0.00 H new ATOM 0 HA VAL A 18 1.387 0.220 3.404 1.00 0.00 H new ATOM 0 HB VAL A 18 2.458 1.003 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.893 2.901 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.046 1.335 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.277 2.210 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.188 3.082 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.702 2.402 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.023 1.649 2.462 1.00 0.00 H new ATOM 245 N PHE A 19 -0.207 -1.298 2.396 1.00 0.00 N ATOM 246 CA PHE A 19 -1.191 -2.212 1.841 1.00 0.00 C ATOM 247 C PHE A 19 -2.243 -1.456 1.027 1.00 0.00 C ATOM 248 O PHE A 19 -3.181 -0.892 1.589 1.00 0.00 O ATOM 249 CB PHE A 19 -1.876 -2.902 3.022 1.00 0.00 C ATOM 250 CG PHE A 19 -3.174 -3.624 2.653 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.157 -4.622 1.729 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.343 -3.268 3.249 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.362 -5.292 1.386 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.547 -3.938 2.906 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.531 -4.936 1.982 1.00 0.00 C ATOM 0 H PHE A 19 -0.458 -0.899 3.301 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.703 -2.927 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.184 -3.621 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.091 -2.158 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.228 -4.905 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.356 -2.476 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.349 -6.084 0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.476 -3.655 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.447 -5.446 1.722 1.00 0.00 H new ATOM 265 N ILE A 20 -2.052 -1.468 -0.284 1.00 0.00 N ATOM 266 CA ILE A 20 -2.972 -0.791 -1.181 1.00 0.00 C ATOM 267 C ILE A 20 -4.158 -1.712 -1.479 1.00 0.00 C ATOM 268 O ILE A 20 -4.018 -2.695 -2.204 1.00 0.00 O ATOM 269 CB ILE A 20 -2.240 -0.306 -2.434 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.049 0.580 -2.065 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.203 0.397 -3.394 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.264 -0.034 -2.555 1.00 0.00 C ATOM 0 H ILE A 20 -1.273 -1.936 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.374 0.105 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.843 -1.176 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.178 1.570 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.011 0.713 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.657 0.732 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.988 -0.297 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.650 1.257 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.095 0.616 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.402 -1.013 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.232 -0.143 -3.639 1.00 0.00 H new ATOM 284 N GLY A 21 -5.298 -1.360 -0.903 1.00 0.00 N ATOM 285 CA GLY A 21 -6.507 -2.142 -1.097 1.00 0.00 C ATOM 286 C GLY A 21 -7.459 -1.447 -2.072 1.00 0.00 C ATOM 287 O GLY A 21 -7.203 -0.322 -2.500 1.00 0.00 O ATOM 0 H GLY A 21 -5.410 -0.544 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.248 -3.130 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.006 -2.290 -0.139 1.00 0.00 H new ATOM 291 N ASN A 22 -8.538 -2.145 -2.395 1.00 0.00 N ATOM 292 CA ASN A 22 -9.529 -1.609 -3.312 1.00 0.00 C ATOM 293 C ASN A 22 -8.821 -1.005 -4.527 1.00 0.00 C ATOM 294 O ASN A 22 -9.211 0.055 -5.013 1.00 0.00 O ATOM 295 CB ASN A 22 -10.353 -0.505 -2.648 1.00 0.00 C ATOM 296 CG ASN A 22 -11.691 -0.312 -3.364 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.496 -1.221 -3.486 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.883 0.919 -3.831 1.00 0.00 N ATOM 0 H ASN A 22 -8.747 -3.077 -2.038 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.190 -2.424 -3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.529 -0.757 -1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.792 0.429 -2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.745 1.148 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.168 1.634 -3.695 1.00 0.00 H new ATOM 305 N LEU A 23 -7.793 -1.706 -4.981 1.00 0.00 N ATOM 306 CA LEU A 23 -7.027 -1.253 -6.129 1.00 0.00 C ATOM 307 C LEU A 23 -7.608 -1.872 -7.402 1.00 0.00 C ATOM 308 O LEU A 23 -7.551 -3.086 -7.587 1.00 0.00 O ATOM 309 CB LEU A 23 -5.538 -1.543 -5.929 1.00 0.00 C ATOM 310 CG LEU A 23 -4.570 -0.648 -6.705 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.309 -1.419 -7.102 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.259 -0.015 -7.916 1.00 0.00 C ATOM 0 H LEU A 23 -7.473 -2.585 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.106 -0.171 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.311 -1.455 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.349 -2.579 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.258 0.166 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.638 -0.760 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.807 -1.782 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.583 -2.265 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.549 0.616 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.619 -0.800 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.101 0.590 -7.580 1.00 0.00 H new ATOM 324 N ASN A 24 -8.155 -1.009 -8.245 1.00 0.00 N ATOM 325 CA ASN A 24 -8.746 -1.456 -9.495 1.00 0.00 C ATOM 326 C ASN A 24 -7.639 -1.935 -10.435 1.00 0.00 C ATOM 327 O ASN A 24 -7.406 -1.335 -11.483 1.00 0.00 O ATOM 328 CB ASN A 24 -9.495 -0.316 -10.189 1.00 0.00 C ATOM 329 CG ASN A 24 -10.429 -0.855 -11.274 1.00 0.00 C ATOM 330 OD1 ASN A 24 -10.368 -2.009 -11.666 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.295 0.042 -11.737 1.00 0.00 N ATOM 0 H ASN A 24 -8.201 -0.002 -8.087 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.445 -2.261 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.071 0.246 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.780 0.378 -10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.961 -0.220 -12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.293 0.992 -11.365 1.00 0.00 H new ATOM 338 N THR A 25 -6.986 -3.013 -10.027 1.00 0.00 N ATOM 339 CA THR A 25 -5.908 -3.580 -10.820 1.00 0.00 C ATOM 340 C THR A 25 -6.398 -3.898 -12.235 1.00 0.00 C ATOM 341 O THR A 25 -5.594 -4.067 -13.150 1.00 0.00 O ATOM 342 CB THR A 25 -5.366 -4.802 -10.076 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.438 -5.739 -10.119 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.163 -4.536 -8.583 1.00 0.00 C ATOM 0 H THR A 25 -7.182 -3.509 -9.158 1.00 0.00 H new ATOM 0 HA THR A 25 -5.091 -2.869 -10.944 1.00 0.00 H new ATOM 0 HB THR A 25 -4.420 -5.108 -10.522 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.145 -6.551 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.777 -5.435 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.451 -3.721 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.116 -4.262 -8.129 1.00 0.00 H new ATOM 352 N LEU A 26 -7.714 -3.970 -12.369 1.00 0.00 N ATOM 353 CA LEU A 26 -8.320 -4.265 -13.656 1.00 0.00 C ATOM 354 C LEU A 26 -8.087 -3.088 -14.606 1.00 0.00 C ATOM 355 O LEU A 26 -8.290 -3.210 -15.813 1.00 0.00 O ATOM 356 CB LEU A 26 -9.795 -4.633 -13.482 1.00 0.00 C ATOM 357 CG LEU A 26 -10.117 -6.129 -13.478 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.531 -6.383 -12.952 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.902 -6.740 -14.863 1.00 0.00 C ATOM 0 H LEU A 26 -8.378 -3.829 -11.607 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.849 -5.138 -14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.148 -4.203 -12.545 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.364 -4.161 -14.283 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.426 -6.626 -12.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.735 -7.454 -12.959 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.614 -6.005 -11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.253 -5.872 -13.588 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.138 -7.804 -14.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.552 -6.245 -15.584 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.862 -6.608 -15.162 1.00 0.00 H new ATOM 371 N VAL A 27 -7.665 -1.975 -14.025 1.00 0.00 N ATOM 372 CA VAL A 27 -7.403 -0.777 -14.804 1.00 0.00 C ATOM 373 C VAL A 27 -6.051 -0.191 -14.391 1.00 0.00 C ATOM 374 O VAL A 27 -5.221 0.124 -15.242 1.00 0.00 O ATOM 375 CB VAL A 27 -8.558 0.214 -14.645 1.00 0.00 C ATOM 376 CG1 VAL A 27 -8.255 1.529 -15.367 1.00 0.00 C ATOM 377 CG2 VAL A 27 -9.872 -0.393 -15.140 1.00 0.00 C ATOM 0 H VAL A 27 -7.498 -1.877 -13.024 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.343 -1.017 -15.865 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.669 0.433 -13.583 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.092 2.216 -15.238 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.352 1.974 -14.949 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.105 1.335 -16.429 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.677 0.331 -15.016 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.778 -0.654 -16.194 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.099 -1.290 -14.563 1.00 0.00 H new ATOM 387 N VAL A 28 -5.872 -0.061 -13.085 1.00 0.00 N ATOM 388 CA VAL A 28 -4.636 0.481 -12.548 1.00 0.00 C ATOM 389 C VAL A 28 -3.505 -0.527 -12.764 1.00 0.00 C ATOM 390 O VAL A 28 -3.720 -1.734 -12.674 1.00 0.00 O ATOM 391 CB VAL A 28 -4.825 0.862 -11.078 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.767 1.873 -10.633 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.236 1.397 -10.828 1.00 0.00 C ATOM 0 H VAL A 28 -6.563 -0.322 -12.382 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.361 1.396 -13.073 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.698 -0.040 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.924 2.127 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.775 1.439 -10.756 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.847 2.775 -11.240 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.344 1.660 -9.776 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.404 2.281 -11.443 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.967 0.631 -11.087 1.00 0.00 H new ATOM 403 N LYS A 29 -2.326 0.007 -13.045 1.00 0.00 N ATOM 404 CA LYS A 29 -1.161 -0.831 -13.274 1.00 0.00 C ATOM 405 C LYS A 29 -0.188 -0.676 -12.104 1.00 0.00 C ATOM 406 O LYS A 29 -0.461 0.062 -11.159 1.00 0.00 O ATOM 407 CB LYS A 29 -0.538 -0.521 -14.637 1.00 0.00 C ATOM 408 CG LYS A 29 -0.852 -1.626 -15.648 1.00 0.00 C ATOM 409 CD LYS A 29 0.337 -2.575 -15.811 1.00 0.00 C ATOM 410 CE LYS A 29 0.377 -3.604 -14.679 1.00 0.00 C ATOM 411 NZ LYS A 29 -0.269 -4.866 -15.103 1.00 0.00 N ATOM 0 H LYS A 29 -2.152 1.009 -13.119 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.449 -1.882 -13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.917 0.432 -15.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.542 -0.416 -14.532 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.727 -2.187 -15.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.102 -1.182 -16.611 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.269 -3.087 -16.771 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.265 -2.003 -15.820 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.410 -3.796 -14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.130 -3.206 -13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.233 -5.553 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.261 -4.681 -15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.232 -5.252 -15.928 1.00 0.00 H new ATOM 425 N LYS A 30 0.927 -1.384 -12.205 1.00 0.00 N ATOM 426 CA LYS A 30 1.942 -1.335 -11.167 1.00 0.00 C ATOM 427 C LYS A 30 2.692 -0.003 -11.255 1.00 0.00 C ATOM 428 O LYS A 30 2.953 0.635 -10.237 1.00 0.00 O ATOM 429 CB LYS A 30 2.855 -2.560 -11.250 1.00 0.00 C ATOM 430 CG LYS A 30 3.122 -3.140 -9.860 1.00 0.00 C ATOM 431 CD LYS A 30 2.770 -4.628 -9.809 1.00 0.00 C ATOM 432 CE LYS A 30 4.007 -5.474 -9.499 1.00 0.00 C ATOM 433 NZ LYS A 30 4.543 -6.081 -10.738 1.00 0.00 N ATOM 0 H LYS A 30 1.150 -1.995 -12.991 1.00 0.00 H new ATOM 0 HA LYS A 30 1.479 -1.377 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.394 -3.319 -11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.799 -2.283 -11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.172 -3.002 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.536 -2.598 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.008 -4.799 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.343 -4.937 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.771 -4.854 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.750 -6.257 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.382 -6.652 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.817 -6.689 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.807 -5.329 -11.407 1.00 0.00 H new ATOM 447 N SER A 31 3.016 0.376 -12.483 1.00 0.00 N ATOM 448 CA SER A 31 3.730 1.620 -12.717 1.00 0.00 C ATOM 449 C SER A 31 2.878 2.806 -12.263 1.00 0.00 C ATOM 450 O SER A 31 3.405 3.877 -11.966 1.00 0.00 O ATOM 451 CB SER A 31 4.105 1.770 -14.193 1.00 0.00 C ATOM 452 OG SER A 31 5.136 0.864 -14.576 1.00 0.00 O ATOM 0 H SER A 31 2.797 -0.156 -13.325 1.00 0.00 H new ATOM 0 HA SER A 31 4.652 1.600 -12.136 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.223 1.598 -14.810 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.432 2.792 -14.382 1.00 0.00 H new ATOM 0 HG SER A 31 5.346 0.989 -15.525 1.00 0.00 H new ATOM 458 N ASP A 32 1.573 2.576 -12.224 1.00 0.00 N ATOM 459 CA ASP A 32 0.643 3.613 -11.811 1.00 0.00 C ATOM 460 C ASP A 32 0.699 3.767 -10.290 1.00 0.00 C ATOM 461 O ASP A 32 0.511 4.863 -9.766 1.00 0.00 O ATOM 462 CB ASP A 32 -0.793 3.249 -12.196 1.00 0.00 C ATOM 463 CG ASP A 32 -1.647 4.420 -12.686 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.236 5.041 -13.690 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.692 4.668 -12.046 1.00 0.00 O ATOM 0 H ASP A 32 1.138 1.687 -12.472 1.00 0.00 H new ATOM 0 HA ASP A 32 0.928 4.539 -12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.762 2.489 -12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.282 2.799 -11.332 1.00 0.00 H new ATOM 470 N VAL A 33 0.960 2.652 -9.623 1.00 0.00 N ATOM 471 CA VAL A 33 1.044 2.649 -8.173 1.00 0.00 C ATOM 472 C VAL A 33 2.505 2.818 -7.750 1.00 0.00 C ATOM 473 O VAL A 33 2.789 3.141 -6.598 1.00 0.00 O ATOM 474 CB VAL A 33 0.404 1.377 -7.614 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.524 1.327 -6.089 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.057 1.259 -8.053 1.00 0.00 C ATOM 0 H VAL A 33 1.116 1.744 -10.061 1.00 0.00 H new ATOM 0 HA VAL A 33 0.486 3.488 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 33 0.946 0.523 -8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.061 0.413 -5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.577 1.342 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.020 2.191 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.488 0.346 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.617 2.120 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.108 1.226 -9.141 1.00 0.00 H new ATOM 486 N GLU A 34 3.394 2.592 -8.707 1.00 0.00 N ATOM 487 CA GLU A 34 4.819 2.715 -8.448 1.00 0.00 C ATOM 488 C GLU A 34 5.289 4.142 -8.739 1.00 0.00 C ATOM 489 O GLU A 34 6.252 4.616 -8.137 1.00 0.00 O ATOM 490 CB GLU A 34 5.615 1.698 -9.268 1.00 0.00 C ATOM 491 CG GLU A 34 5.904 0.439 -8.448 1.00 0.00 C ATOM 492 CD GLU A 34 6.570 -0.636 -9.310 1.00 0.00 C ATOM 493 OE1 GLU A 34 7.819 -0.622 -9.368 1.00 0.00 O ATOM 494 OE2 GLU A 34 5.816 -1.446 -9.891 1.00 0.00 O ATOM 0 H GLU A 34 3.155 2.325 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 34 4.997 2.502 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.056 1.432 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.553 2.145 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.551 0.689 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.975 0.051 -8.030 1.00 0.00 H new ATOM 501 N ALA A 35 4.589 4.786 -9.660 1.00 0.00 N ATOM 502 CA ALA A 35 4.923 6.149 -10.038 1.00 0.00 C ATOM 503 C ALA A 35 4.164 7.124 -9.135 1.00 0.00 C ATOM 504 O ALA A 35 4.738 8.094 -8.643 1.00 0.00 O ATOM 505 CB ALA A 35 4.607 6.360 -11.520 1.00 0.00 C ATOM 0 H ALA A 35 3.791 4.389 -10.156 1.00 0.00 H new ATOM 0 HA ALA A 35 5.988 6.335 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.857 7.382 -11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.193 5.663 -12.120 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.545 6.185 -11.694 1.00 0.00 H new ATOM 511 N ILE A 36 2.885 6.832 -8.946 1.00 0.00 N ATOM 512 CA ILE A 36 2.042 7.671 -8.112 1.00 0.00 C ATOM 513 C ILE A 36 2.604 7.696 -6.689 1.00 0.00 C ATOM 514 O ILE A 36 2.463 8.691 -5.979 1.00 0.00 O ATOM 515 CB ILE A 36 0.585 7.212 -8.190 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.022 7.410 -9.599 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.268 7.910 -7.128 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.357 6.762 -9.735 1.00 0.00 C ATOM 0 H ILE A 36 2.413 6.026 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 36 2.048 8.699 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 36 0.552 6.143 -7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.050 8.475 -9.819 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.704 6.978 -10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.299 7.566 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.120 7.674 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.233 8.988 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.734 6.918 -10.746 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.278 5.693 -9.538 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.043 7.213 -9.018 1.00 0.00 H new ATOM 530 N PHE A 37 3.228 6.589 -6.313 1.00 0.00 N ATOM 531 CA PHE A 37 3.811 6.471 -4.988 1.00 0.00 C ATOM 532 C PHE A 37 5.280 6.898 -4.995 1.00 0.00 C ATOM 533 O PHE A 37 5.879 7.093 -3.939 1.00 0.00 O ATOM 534 CB PHE A 37 3.722 4.997 -4.589 1.00 0.00 C ATOM 535 CG PHE A 37 2.304 4.524 -4.263 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.316 4.648 -5.189 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.031 3.981 -3.046 1.00 0.00 C ATOM 538 CE1 PHE A 37 0.000 4.210 -4.886 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.715 3.543 -2.743 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.273 3.666 -3.670 1.00 0.00 C ATOM 0 H PHE A 37 3.342 5.765 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 37 3.277 7.114 -4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.120 4.387 -5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.359 4.827 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.532 5.080 -6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.815 3.883 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.785 4.309 -5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.498 3.112 -1.777 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.274 3.332 -3.440 1.00 0.00 H new ATOM 550 N SER A 38 5.819 7.030 -6.199 1.00 0.00 N ATOM 551 CA SER A 38 7.206 7.430 -6.358 1.00 0.00 C ATOM 552 C SER A 38 7.388 8.880 -5.905 1.00 0.00 C ATOM 553 O SER A 38 8.515 9.359 -5.782 1.00 0.00 O ATOM 554 CB SER A 38 7.664 7.266 -7.809 1.00 0.00 C ATOM 555 OG SER A 38 8.707 8.176 -8.146 1.00 0.00 O ATOM 0 H SER A 38 5.319 6.867 -7.073 1.00 0.00 H new ATOM 0 HA SER A 38 7.822 6.781 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.009 6.244 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.817 7.423 -8.476 1.00 0.00 H new ATOM 0 HG SER A 38 9.050 8.597 -7.330 1.00 0.00 H new ATOM 561 N LYS A 39 6.263 9.539 -5.669 1.00 0.00 N ATOM 562 CA LYS A 39 6.284 10.924 -5.233 1.00 0.00 C ATOM 563 C LYS A 39 6.240 10.974 -3.704 1.00 0.00 C ATOM 564 O LYS A 39 6.479 12.022 -3.107 1.00 0.00 O ATOM 565 CB LYS A 39 5.161 11.715 -5.906 1.00 0.00 C ATOM 566 CG LYS A 39 3.843 10.938 -5.868 1.00 0.00 C ATOM 567 CD LYS A 39 2.646 11.889 -5.816 1.00 0.00 C ATOM 568 CE LYS A 39 1.658 11.588 -6.945 1.00 0.00 C ATOM 569 NZ LYS A 39 0.293 12.015 -6.566 1.00 0.00 N ATOM 0 H LYS A 39 5.331 9.139 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 39 7.212 11.406 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.036 12.674 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.431 11.929 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.767 10.301 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.829 10.282 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.144 11.795 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.992 12.920 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.967 12.103 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.663 10.521 -7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.365 11.804 -7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.006 11.504 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.289 13.038 -6.377 1.00 0.00 H new ATOM 583 N TYR A 40 5.934 9.827 -3.116 1.00 0.00 N ATOM 584 CA TYR A 40 5.856 9.727 -1.668 1.00 0.00 C ATOM 585 C TYR A 40 7.062 8.972 -1.105 1.00 0.00 C ATOM 586 O TYR A 40 7.016 8.470 0.017 1.00 0.00 O ATOM 587 CB TYR A 40 4.585 8.929 -1.369 1.00 0.00 C ATOM 588 CG TYR A 40 3.292 9.723 -1.565 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.187 11.005 -1.067 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.230 9.155 -2.239 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.970 11.752 -1.251 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.012 9.902 -2.424 1.00 0.00 C ATOM 593 CZ TYR A 40 0.943 11.164 -1.921 1.00 0.00 C ATOM 594 OH TYR A 40 -0.207 11.869 -2.095 1.00 0.00 O ATOM 0 H TYR A 40 5.737 8.960 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 40 5.844 10.718 -1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.560 8.050 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.627 8.570 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.018 11.449 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.312 8.151 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.875 12.756 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.173 9.470 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.853 11.324 -2.591 1.00 0.00 H new ATOM 604 N GLY A 41 8.113 8.915 -1.911 1.00 0.00 N ATOM 605 CA GLY A 41 9.329 8.230 -1.507 1.00 0.00 C ATOM 606 C GLY A 41 9.717 7.156 -2.525 1.00 0.00 C ATOM 607 O GLY A 41 8.866 6.652 -3.256 1.00 0.00 O ATOM 0 H GLY A 41 8.147 9.332 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.140 8.951 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.185 7.773 -0.528 1.00 0.00 H new ATOM 611 N LYS A 42 11.003 6.838 -2.541 1.00 0.00 N ATOM 612 CA LYS A 42 11.514 5.834 -3.458 1.00 0.00 C ATOM 613 C LYS A 42 10.943 4.466 -3.079 1.00 0.00 C ATOM 614 O LYS A 42 10.932 4.097 -1.906 1.00 0.00 O ATOM 615 CB LYS A 42 13.044 5.872 -3.496 1.00 0.00 C ATOM 616 CG LYS A 42 13.602 4.681 -4.278 1.00 0.00 C ATOM 617 CD LYS A 42 14.447 5.152 -5.463 1.00 0.00 C ATOM 618 CE LYS A 42 15.937 4.920 -5.202 1.00 0.00 C ATOM 619 NZ LYS A 42 16.512 4.031 -6.236 1.00 0.00 N ATOM 0 H LYS A 42 11.706 7.258 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 42 11.187 6.046 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.377 6.802 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.437 5.861 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.208 4.060 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.781 4.059 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.145 4.619 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.267 6.212 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.465 5.874 -5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.075 4.477 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.523 3.884 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.020 3.115 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.397 4.468 -7.173 1.00 0.00 H new ATOM 633 N ILE A 43 10.481 3.751 -4.095 1.00 0.00 N ATOM 634 CA ILE A 43 9.909 2.433 -3.883 1.00 0.00 C ATOM 635 C ILE A 43 10.990 1.372 -4.100 1.00 0.00 C ATOM 636 O ILE A 43 11.653 1.359 -5.136 1.00 0.00 O ATOM 637 CB ILE A 43 8.672 2.238 -4.762 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.587 3.261 -4.416 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.154 0.801 -4.670 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.342 3.052 -5.280 1.00 0.00 C ATOM 0 H ILE A 43 10.491 4.060 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 43 9.561 2.330 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 43 8.960 2.411 -5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.322 3.173 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.972 4.270 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.275 0.690 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.931 0.112 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.887 0.576 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.586 3.791 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.606 3.164 -6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.945 2.051 -5.111 1.00 0.00 H new ATOM 652 N VAL A 44 11.134 0.508 -3.106 1.00 0.00 N ATOM 653 CA VAL A 44 12.123 -0.554 -3.175 1.00 0.00 C ATOM 654 C VAL A 44 11.436 -1.859 -3.583 1.00 0.00 C ATOM 655 O VAL A 44 12.037 -2.696 -4.255 1.00 0.00 O ATOM 656 CB VAL A 44 12.868 -0.663 -1.842 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.431 0.695 -1.417 1.00 0.00 C ATOM 658 CG2 VAL A 44 11.964 -1.246 -0.755 1.00 0.00 C ATOM 0 H VAL A 44 10.582 0.522 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 44 12.872 -0.329 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 44 13.707 -1.345 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.955 0.590 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.125 1.055 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.614 1.408 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.518 -1.313 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.096 -0.600 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.633 -2.241 -1.052 1.00 0.00 H new ATOM 668 N GLY A 45 10.188 -1.991 -3.160 1.00 0.00 N ATOM 669 CA GLY A 45 9.413 -3.180 -3.474 1.00 0.00 C ATOM 670 C GLY A 45 7.920 -2.856 -3.554 1.00 0.00 C ATOM 671 O GLY A 45 7.315 -2.453 -2.562 1.00 0.00 O ATOM 0 H GLY A 45 9.694 -1.295 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.749 -3.598 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.583 -3.941 -2.713 1.00 0.00 H new ATOM 675 N CYS A 46 7.369 -3.044 -4.744 1.00 0.00 N ATOM 676 CA CYS A 46 5.958 -2.777 -4.966 1.00 0.00 C ATOM 677 C CYS A 46 5.357 -3.966 -5.718 1.00 0.00 C ATOM 678 O CYS A 46 5.975 -4.502 -6.636 1.00 0.00 O ATOM 679 CB CYS A 46 5.743 -1.460 -5.716 1.00 0.00 C ATOM 680 SG CYS A 46 3.954 -1.169 -5.969 1.00 0.00 S ATOM 0 H CYS A 46 7.874 -3.378 -5.565 1.00 0.00 H new ATOM 0 HA CYS A 46 5.452 -2.661 -4.008 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.178 -0.635 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.254 -1.492 -6.678 1.00 0.00 H new ATOM 0 HG CYS A 46 3.280 -1.768 -5.033 1.00 0.00 H new ATOM 686 N SER A 47 4.158 -4.344 -5.299 1.00 0.00 N ATOM 687 CA SER A 47 3.466 -5.461 -5.921 1.00 0.00 C ATOM 688 C SER A 47 1.962 -5.185 -5.965 1.00 0.00 C ATOM 689 O SER A 47 1.422 -4.523 -5.079 1.00 0.00 O ATOM 690 CB SER A 47 3.744 -6.766 -5.174 1.00 0.00 C ATOM 691 OG SER A 47 5.138 -6.976 -4.966 1.00 0.00 O ATOM 0 H SER A 47 3.648 -3.897 -4.537 1.00 0.00 H new ATOM 0 HA SER A 47 3.839 -5.570 -6.939 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.233 -6.749 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.332 -7.602 -5.739 1.00 0.00 H new ATOM 0 HG SER A 47 5.274 -7.819 -4.485 1.00 0.00 H new ATOM 697 N VAL A 48 1.327 -5.705 -7.005 1.00 0.00 N ATOM 698 CA VAL A 48 -0.104 -5.523 -7.176 1.00 0.00 C ATOM 699 C VAL A 48 -0.753 -6.875 -7.479 1.00 0.00 C ATOM 700 O VAL A 48 -0.404 -7.529 -8.461 1.00 0.00 O ATOM 701 CB VAL A 48 -0.373 -4.475 -8.258 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.865 -4.148 -8.346 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.453 -3.211 -8.014 1.00 0.00 C ATOM 0 H VAL A 48 1.778 -6.253 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.553 -5.145 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.066 -4.895 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.029 -3.401 -9.122 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.422 -5.053 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.209 -3.757 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.243 -2.482 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.192 -2.787 -7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.514 -3.462 -8.026 1.00 0.00 H new ATOM 713 N HIS A 49 -1.687 -7.254 -6.618 1.00 0.00 N ATOM 714 CA HIS A 49 -2.388 -8.516 -6.781 1.00 0.00 C ATOM 715 C HIS A 49 -3.883 -8.252 -6.967 1.00 0.00 C ATOM 716 O HIS A 49 -4.478 -7.477 -6.220 1.00 0.00 O ATOM 717 CB HIS A 49 -2.092 -9.456 -5.611 1.00 0.00 C ATOM 718 CG HIS A 49 -0.622 -9.613 -5.305 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.193 -10.505 -5.980 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.170 -8.983 -4.390 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.419 -10.407 -5.485 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.402 -9.464 -4.500 1.00 0.00 N ATOM 0 H HIS A 49 -1.974 -6.709 -5.805 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.030 -9.022 -7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.600 -9.083 -4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.513 -10.437 -5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.151 -8.222 -3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.280 -10.974 -5.806 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.204 -9.176 -3.940 1.00 0.00 H new ATOM 730 N LYS A 50 -4.448 -8.912 -7.968 1.00 0.00 N ATOM 731 CA LYS A 50 -5.862 -8.758 -8.262 1.00 0.00 C ATOM 732 C LYS A 50 -6.648 -8.699 -6.950 1.00 0.00 C ATOM 733 O LYS A 50 -6.935 -9.731 -6.347 1.00 0.00 O ATOM 734 CB LYS A 50 -6.335 -9.860 -9.212 1.00 0.00 C ATOM 735 CG LYS A 50 -5.913 -9.561 -10.652 1.00 0.00 C ATOM 736 CD LYS A 50 -5.403 -10.825 -11.348 1.00 0.00 C ATOM 737 CE LYS A 50 -3.874 -10.874 -11.345 1.00 0.00 C ATOM 738 NZ LYS A 50 -3.357 -10.992 -12.727 1.00 0.00 N ATOM 0 H LYS A 50 -3.952 -9.555 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.042 -7.819 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.920 -10.818 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.420 -9.950 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.759 -9.153 -11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.133 -8.800 -10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.800 -11.707 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.769 -10.852 -12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.476 -9.973 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.532 -11.720 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.318 -11.024 -12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.722 -11.864 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.668 -10.171 -13.285 1.00 0.00 H new ATOM 752 N GLY A 51 -6.972 -7.479 -6.547 1.00 0.00 N ATOM 753 CA GLY A 51 -7.719 -7.271 -5.318 1.00 0.00 C ATOM 754 C GLY A 51 -7.053 -6.204 -4.446 1.00 0.00 C ATOM 755 O GLY A 51 -7.735 -5.441 -3.763 1.00 0.00 O ATOM 0 H GLY A 51 -6.731 -6.625 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.739 -6.968 -5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.785 -8.208 -4.765 1.00 0.00 H new ATOM 759 N PHE A 52 -5.730 -6.185 -4.497 1.00 0.00 N ATOM 760 CA PHE A 52 -4.964 -5.224 -3.720 1.00 0.00 C ATOM 761 C PHE A 52 -3.529 -5.118 -4.240 1.00 0.00 C ATOM 762 O PHE A 52 -3.200 -5.681 -5.283 1.00 0.00 O ATOM 763 CB PHE A 52 -4.935 -5.737 -2.279 1.00 0.00 C ATOM 764 CG PHE A 52 -4.614 -7.227 -2.154 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.325 -7.654 -2.231 1.00 0.00 C ATOM 766 CD2 PHE A 52 -5.618 -8.126 -1.967 1.00 0.00 C ATOM 767 CE1 PHE A 52 -3.027 -9.037 -2.115 1.00 0.00 C ATOM 768 CE2 PHE A 52 -5.319 -9.509 -1.852 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.030 -9.936 -1.928 1.00 0.00 C ATOM 0 H PHE A 52 -5.168 -6.820 -5.064 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.422 -4.237 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.194 -5.168 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.903 -5.545 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.528 -6.941 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.642 -7.788 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.003 -9.375 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.116 -10.223 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.803 -10.988 -1.840 1.00 0.00 H new ATOM 779 N ALA A 53 -2.715 -4.391 -3.490 1.00 0.00 N ATOM 780 CA ALA A 53 -1.323 -4.203 -3.862 1.00 0.00 C ATOM 781 C ALA A 53 -0.520 -3.792 -2.626 1.00 0.00 C ATOM 782 O ALA A 53 -1.089 -3.338 -1.634 1.00 0.00 O ATOM 783 CB ALA A 53 -1.230 -3.171 -4.988 1.00 0.00 C ATOM 0 H ALA A 53 -2.992 -3.925 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.897 -5.134 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.186 -3.030 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.792 -3.524 -5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.646 -2.223 -4.648 1.00 0.00 H new ATOM 789 N PHE A 54 0.790 -3.965 -2.726 1.00 0.00 N ATOM 790 CA PHE A 54 1.676 -3.617 -1.628 1.00 0.00 C ATOM 791 C PHE A 54 2.850 -2.768 -2.120 1.00 0.00 C ATOM 792 O PHE A 54 3.441 -3.060 -3.158 1.00 0.00 O ATOM 793 CB PHE A 54 2.216 -4.930 -1.056 1.00 0.00 C ATOM 794 CG PHE A 54 1.423 -5.460 0.140 1.00 0.00 C ATOM 795 CD1 PHE A 54 1.500 -4.828 1.341 1.00 0.00 C ATOM 796 CD2 PHE A 54 0.640 -6.564 0.001 1.00 0.00 C ATOM 797 CE1 PHE A 54 0.764 -5.321 2.451 1.00 0.00 C ATOM 798 CE2 PHE A 54 -0.096 -7.057 1.111 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.018 -6.424 2.313 1.00 0.00 C ATOM 0 H PHE A 54 1.259 -4.341 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 54 1.133 -3.040 -0.880 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.215 -5.685 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.253 -4.784 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.121 -3.951 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.578 -7.065 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.826 -4.819 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.717 -7.934 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.578 -6.798 3.158 1.00 0.00 H new ATOM 809 N VAL A 55 3.153 -1.733 -1.350 1.00 0.00 N ATOM 810 CA VAL A 55 4.246 -0.839 -1.694 1.00 0.00 C ATOM 811 C VAL A 55 5.255 -0.808 -0.544 1.00 0.00 C ATOM 812 O VAL A 55 4.871 -0.836 0.624 1.00 0.00 O ATOM 813 CB VAL A 55 3.698 0.545 -2.047 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.810 1.596 -2.024 1.00 0.00 C ATOM 815 CG2 VAL A 55 2.991 0.525 -3.403 1.00 0.00 C ATOM 0 H VAL A 55 2.661 -1.494 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 55 4.772 -1.200 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 55 2.963 0.818 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.394 2.571 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.250 1.638 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.578 1.329 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.611 1.521 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.696 0.221 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.161 -0.181 -3.370 1.00 0.00 H new ATOM 825 N GLN A 56 6.525 -0.749 -0.915 1.00 0.00 N ATOM 826 CA GLN A 56 7.592 -0.714 0.071 1.00 0.00 C ATOM 827 C GLN A 56 8.564 0.427 -0.239 1.00 0.00 C ATOM 828 O GLN A 56 9.314 0.360 -1.212 1.00 0.00 O ATOM 829 CB GLN A 56 8.324 -2.056 0.136 1.00 0.00 C ATOM 830 CG GLN A 56 9.460 -2.012 1.160 1.00 0.00 C ATOM 831 CD GLN A 56 9.155 -2.916 2.356 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.402 -3.873 2.268 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.780 -2.563 3.475 1.00 0.00 N ATOM 0 H GLN A 56 6.840 -0.725 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 56 7.149 -0.532 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.621 -2.845 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.725 -2.304 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.391 -2.327 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.607 -0.987 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.397 -1.751 3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.643 -3.104 4.328 1.00 0.00 H new ATOM 842 N TYR A 57 8.519 1.447 0.605 1.00 0.00 N ATOM 843 CA TYR A 57 9.386 2.600 0.433 1.00 0.00 C ATOM 844 C TYR A 57 10.751 2.361 1.081 1.00 0.00 C ATOM 845 O TYR A 57 10.941 1.375 1.792 1.00 0.00 O ATOM 846 CB TYR A 57 8.691 3.760 1.148 1.00 0.00 C ATOM 847 CG TYR A 57 7.412 4.239 0.458 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.242 3.521 0.599 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.428 5.390 -0.304 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.038 3.972 -0.050 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.224 5.841 -0.952 1.00 0.00 C ATOM 852 CZ TYR A 57 5.089 5.109 -0.794 1.00 0.00 C ATOM 853 OH TYR A 57 3.952 5.535 -1.406 1.00 0.00 O ATOM 0 H TYR A 57 7.895 1.499 1.410 1.00 0.00 H new ATOM 0 HA TYR A 57 9.553 2.801 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.450 3.454 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.386 4.596 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.229 2.621 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.344 5.952 -0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.116 3.420 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.222 6.740 -1.550 1.00 0.00 H new ATOM 0 HH TYR A 57 3.206 4.952 -1.152 1.00 0.00 H new ATOM 863 N VAL A 58 11.667 3.280 0.814 1.00 0.00 N ATOM 864 CA VAL A 58 13.009 3.182 1.362 1.00 0.00 C ATOM 865 C VAL A 58 12.954 3.403 2.875 1.00 0.00 C ATOM 866 O VAL A 58 13.733 2.812 3.621 1.00 0.00 O ATOM 867 CB VAL A 58 13.939 4.164 0.648 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.098 4.580 1.556 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.456 3.574 -0.665 1.00 0.00 C ATOM 0 H VAL A 58 11.506 4.097 0.225 1.00 0.00 H new ATOM 0 HA VAL A 58 13.419 2.186 1.193 1.00 0.00 H new ATOM 0 HB VAL A 58 13.363 5.058 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.744 5.278 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.704 5.060 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.672 3.698 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.115 4.293 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.008 2.657 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.614 3.351 -1.320 1.00 0.00 H new ATOM 879 N ASN A 59 12.026 4.256 3.283 1.00 0.00 N ATOM 880 CA ASN A 59 11.859 4.562 4.694 1.00 0.00 C ATOM 881 C ASN A 59 10.368 4.574 5.036 1.00 0.00 C ATOM 882 O ASN A 59 9.527 4.766 4.159 1.00 0.00 O ATOM 883 CB ASN A 59 12.432 5.941 5.030 1.00 0.00 C ATOM 884 CG ASN A 59 13.835 6.109 4.444 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.098 6.987 3.639 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.718 5.221 4.891 1.00 0.00 N ATOM 0 H ASN A 59 11.382 4.745 2.661 1.00 0.00 H new ATOM 0 HA ASN A 59 12.388 3.802 5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.775 6.717 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.468 6.070 6.112 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.682 5.249 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.431 4.511 5.565 1.00 0.00 H new ATOM 893 N GLU A 60 10.085 4.365 6.314 1.00 0.00 N ATOM 894 CA GLU A 60 8.710 4.349 6.783 1.00 0.00 C ATOM 895 C GLU A 60 8.062 5.720 6.576 1.00 0.00 C ATOM 896 O GLU A 60 7.001 5.823 5.963 1.00 0.00 O ATOM 897 CB GLU A 60 8.636 3.924 8.250 1.00 0.00 C ATOM 898 CG GLU A 60 7.509 2.913 8.472 1.00 0.00 C ATOM 899 CD GLU A 60 6.240 3.608 8.972 1.00 0.00 C ATOM 900 OE1 GLU A 60 6.083 4.805 8.647 1.00 0.00 O ATOM 901 OE2 GLU A 60 5.456 2.926 9.667 1.00 0.00 O ATOM 0 H GLU A 60 10.785 4.205 7.039 1.00 0.00 H new ATOM 0 HA GLU A 60 8.156 3.615 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.587 3.486 8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.473 4.800 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.298 2.388 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.826 2.162 9.196 1.00 0.00 H new ATOM 908 N ARG A 61 8.729 6.739 7.099 1.00 0.00 N ATOM 909 CA ARG A 61 8.232 8.099 6.980 1.00 0.00 C ATOM 910 C ARG A 61 7.622 8.322 5.594 1.00 0.00 C ATOM 911 O ARG A 61 6.549 8.910 5.471 1.00 0.00 O ATOM 912 CB ARG A 61 9.352 9.117 7.206 1.00 0.00 C ATOM 913 CG ARG A 61 9.443 9.512 8.681 1.00 0.00 C ATOM 914 CD ARG A 61 10.345 10.734 8.867 1.00 0.00 C ATOM 915 NE ARG A 61 11.604 10.336 9.536 1.00 0.00 N ATOM 916 CZ ARG A 61 12.674 9.848 8.895 1.00 0.00 C ATOM 917 NH1 ARG A 61 12.645 9.693 7.564 1.00 0.00 N ATOM 918 NH2 ARG A 61 13.774 9.514 9.584 1.00 0.00 N ATOM 0 H ARG A 61 9.609 6.650 7.606 1.00 0.00 H new ATOM 0 HA ARG A 61 7.468 8.241 7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.303 8.696 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.171 10.004 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.446 9.729 9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.833 8.676 9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.564 11.185 7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.831 11.489 9.461 1.00 0.00 H new ATOM 0 HE ARG A 61 11.660 10.440 10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.808 9.947 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.460 9.321 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.797 9.631 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.589 9.142 9.095 1.00 0.00 H new ATOM 932 N ASN A 62 8.333 7.839 4.585 1.00 0.00 N ATOM 933 CA ASN A 62 7.876 7.978 3.213 1.00 0.00 C ATOM 934 C ASN A 62 6.571 7.198 3.034 1.00 0.00 C ATOM 935 O ASN A 62 5.563 7.759 2.607 1.00 0.00 O ATOM 936 CB ASN A 62 8.903 7.412 2.230 1.00 0.00 C ATOM 937 CG ASN A 62 10.054 8.397 2.014 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.192 8.152 2.382 1.00 0.00 O ATOM 939 ND2 ASN A 62 9.697 9.520 1.398 1.00 0.00 N ATOM 0 H ASN A 62 9.222 7.351 4.691 1.00 0.00 H new ATOM 0 HA ASN A 62 7.731 9.039 3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.294 6.468 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.420 7.197 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.393 10.240 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.727 9.661 1.117 1.00 0.00 H new ATOM 946 N ALA A 63 6.633 5.918 3.369 1.00 0.00 N ATOM 947 CA ALA A 63 5.469 5.056 3.250 1.00 0.00 C ATOM 948 C ALA A 63 4.273 5.726 3.930 1.00 0.00 C ATOM 949 O ALA A 63 3.278 6.037 3.277 1.00 0.00 O ATOM 950 CB ALA A 63 5.787 3.684 3.848 1.00 0.00 C ATOM 0 H ALA A 63 7.471 5.457 3.723 1.00 0.00 H new ATOM 0 HA ALA A 63 5.209 4.903 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.914 3.037 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.625 3.239 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.049 3.797 4.900 1.00 0.00 H new ATOM 956 N ARG A 64 4.409 5.928 5.232 1.00 0.00 N ATOM 957 CA ARG A 64 3.352 6.555 6.007 1.00 0.00 C ATOM 958 C ARG A 64 2.816 7.787 5.274 1.00 0.00 C ATOM 959 O ARG A 64 1.648 8.144 5.425 1.00 0.00 O ATOM 960 CB ARG A 64 3.856 6.972 7.390 1.00 0.00 C ATOM 961 CG ARG A 64 2.863 7.914 8.074 1.00 0.00 C ATOM 962 CD ARG A 64 3.328 8.267 9.488 1.00 0.00 C ATOM 963 NE ARG A 64 2.595 7.449 10.481 1.00 0.00 N ATOM 964 CZ ARG A 64 1.270 7.507 10.670 1.00 0.00 C ATOM 965 NH1 ARG A 64 0.524 8.343 9.935 1.00 0.00 N ATOM 966 NH2 ARG A 64 0.690 6.727 11.593 1.00 0.00 N ATOM 0 H ARG A 64 5.236 5.668 5.770 1.00 0.00 H new ATOM 0 HA ARG A 64 2.553 5.824 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.008 6.087 8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.824 7.464 7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.755 8.825 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.881 7.444 8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.400 8.093 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.159 9.326 9.681 1.00 0.00 H new ATOM 0 HE ARG A 64 3.132 6.801 11.057 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.965 8.935 9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.485 8.387 10.079 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.257 6.089 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.319 6.771 11.737 1.00 0.00 H new ATOM 980 N ALA A 65 3.694 8.402 4.496 1.00 0.00 N ATOM 981 CA ALA A 65 3.324 9.586 3.740 1.00 0.00 C ATOM 982 C ALA A 65 2.196 9.233 2.768 1.00 0.00 C ATOM 983 O ALA A 65 1.102 9.789 2.852 1.00 0.00 O ATOM 984 CB ALA A 65 4.557 10.142 3.025 1.00 0.00 C ATOM 0 H ALA A 65 4.661 8.102 4.373 1.00 0.00 H new ATOM 0 HA ALA A 65 2.954 10.366 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.279 11.030 2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.317 10.404 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.955 9.388 2.346 1.00 0.00 H new ATOM 990 N ALA A 66 2.502 8.311 1.867 1.00 0.00 N ATOM 991 CA ALA A 66 1.528 7.877 0.880 1.00 0.00 C ATOM 992 C ALA A 66 0.280 7.356 1.596 1.00 0.00 C ATOM 993 O ALA A 66 -0.834 7.788 1.303 1.00 0.00 O ATOM 994 CB ALA A 66 2.159 6.823 -0.032 1.00 0.00 C ATOM 0 H ALA A 66 3.411 7.853 1.800 1.00 0.00 H new ATOM 0 HA ALA A 66 1.223 8.712 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.428 6.498 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.023 7.251 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.476 5.968 0.565 1.00 0.00 H new ATOM 1000 N VAL A 67 0.508 6.436 2.522 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.584 5.853 3.282 1.00 0.00 C ATOM 1002 C VAL A 67 -1.544 6.960 3.720 1.00 0.00 C ATOM 1003 O VAL A 67 -2.742 6.725 3.867 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.030 5.043 4.456 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.159 4.544 5.360 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.832 3.879 3.962 1.00 0.00 C ATOM 0 H VAL A 67 1.433 6.080 2.763 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.151 5.158 2.663 1.00 0.00 H new ATOM 0 HB VAL A 67 0.605 5.703 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.737 3.971 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.713 5.396 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.832 3.909 4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.213 3.320 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.230 3.220 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.668 4.267 3.380 1.00 0.00 H new ATOM 1016 N ALA A 68 -0.982 8.144 3.915 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.773 9.289 4.333 1.00 0.00 C ATOM 1018 C ALA A 68 -2.208 10.081 3.098 1.00 0.00 C ATOM 1019 O ALA A 68 -3.301 10.644 3.071 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.964 10.138 5.315 1.00 0.00 C ATOM 0 H ALA A 68 0.012 8.335 3.791 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.675 8.964 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.558 10.997 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.705 9.538 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.052 10.485 4.830 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.329 10.099 2.106 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.608 10.812 0.872 1.00 0.00 C ATOM 1028 C GLY A 69 -2.431 9.949 -0.087 1.00 0.00 C ATOM 1029 O GLY A 69 -3.627 10.177 -0.261 1.00 0.00 O ATOM 0 H GLY A 69 -0.423 9.631 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.149 11.732 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.671 11.100 0.395 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.757 8.976 -0.683 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.411 8.078 -1.619 1.00 0.00 C ATOM 1035 C GLU A 70 -3.823 7.743 -1.135 1.00 0.00 C ATOM 1036 O GLU A 70 -4.807 8.122 -1.769 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.586 6.806 -1.826 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.077 6.711 -3.265 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.156 6.148 -4.192 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.606 5.015 -3.917 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.506 6.864 -5.156 1.00 0.00 O ATOM 0 H GLU A 70 -0.765 8.790 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.488 8.582 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.742 6.800 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.194 5.932 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.773 7.698 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.193 6.074 -3.301 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.879 7.035 -0.016 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.154 6.645 0.561 1.00 0.00 C ATOM 1050 C ASP A 71 -6.146 7.802 0.425 1.00 0.00 C ATOM 1051 O ASP A 71 -5.982 8.843 1.059 1.00 0.00 O ATOM 1052 CB ASP A 71 -5.009 6.318 2.048 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.329 6.159 2.807 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.909 7.207 3.162 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.726 4.992 3.014 1.00 0.00 O ATOM 0 H ASP A 71 -3.061 6.721 0.506 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.507 5.761 0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.437 5.396 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.427 7.108 2.523 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.153 7.581 -0.407 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.172 8.592 -0.634 1.00 0.00 C ATOM 1062 C GLY A 72 -8.056 9.180 -2.042 1.00 0.00 C ATOM 1063 O GLY A 72 -8.523 10.289 -2.296 1.00 0.00 O ATOM 0 H GLY A 72 -7.285 6.717 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.161 8.154 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.072 9.387 0.105 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.432 8.409 -2.921 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.250 8.839 -4.297 1.00 0.00 C ATOM 1069 C ARG A 73 -8.243 8.122 -5.213 1.00 0.00 C ATOM 1070 O ARG A 73 -8.453 6.917 -5.085 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.826 8.555 -4.779 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.299 9.704 -5.642 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.054 9.278 -6.421 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.439 10.454 -7.075 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.922 11.038 -8.180 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.029 10.557 -8.762 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.298 12.102 -8.704 1.00 0.00 N ATOM 0 H ARG A 73 -7.046 7.489 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.427 9.914 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.170 8.410 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.811 7.628 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.074 10.027 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.062 10.559 -5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.336 8.809 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.321 8.533 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.594 10.845 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.504 9.747 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.397 11.001 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.455 12.468 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.666 12.546 -9.545 1.00 0.00 H new ATOM 1091 N MET A 74 -8.828 8.893 -6.118 1.00 0.00 N ATOM 1092 CA MET A 74 -9.794 8.347 -7.056 1.00 0.00 C ATOM 1093 C MET A 74 -9.098 7.797 -8.303 1.00 0.00 C ATOM 1094 O MET A 74 -8.857 8.533 -9.259 1.00 0.00 O ATOM 1095 CB MET A 74 -10.784 9.439 -7.464 1.00 0.00 C ATOM 1096 CG MET A 74 -12.228 8.970 -7.273 1.00 0.00 C ATOM 1097 SD MET A 74 -13.351 10.338 -7.503 1.00 0.00 S ATOM 1098 CE MET A 74 -14.910 9.505 -7.254 1.00 0.00 C ATOM 0 H MET A 74 -8.651 9.892 -6.222 1.00 0.00 H new ATOM 0 HA MET A 74 -10.323 7.529 -6.568 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.607 10.335 -6.869 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.621 9.711 -8.507 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.458 8.177 -7.984 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.353 8.550 -6.275 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.675 10.236 -6.992 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.198 8.990 -8.171 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.810 8.779 -6.447 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.794 6.509 -8.252 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.130 5.852 -9.366 1.00 0.00 C ATOM 1110 C ILE A 75 -9.158 5.048 -10.164 1.00 0.00 C ATOM 1111 O ILE A 75 -9.807 4.153 -9.624 1.00 0.00 O ATOM 1112 CB ILE A 75 -6.948 5.018 -8.868 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.779 5.081 -9.853 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.376 3.578 -8.579 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.733 6.101 -9.398 1.00 0.00 C ATOM 0 H ILE A 75 -8.995 5.902 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.705 6.590 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.601 5.446 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.319 4.097 -9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.147 5.349 -10.843 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.517 3.007 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.152 3.576 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.764 3.124 -9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.913 6.126 -10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.191 7.088 -9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.349 5.816 -8.418 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.275 5.395 -11.437 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.213 4.717 -12.315 1.00 0.00 C ATOM 1129 C ALA A 76 -11.628 5.225 -12.033 1.00 0.00 C ATOM 1130 O ALA A 76 -12.591 4.761 -12.642 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.087 3.204 -12.125 1.00 0.00 C ATOM 0 H ALA A 76 -8.735 6.137 -11.882 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.988 4.934 -13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.791 2.695 -12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.072 2.890 -12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.309 2.948 -11.089 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.709 6.171 -11.109 1.00 0.00 N ATOM 1138 CA GLY A 77 -12.991 6.747 -10.739 1.00 0.00 C ATOM 1139 C GLY A 77 -13.448 6.234 -9.372 1.00 0.00 C ATOM 1140 O GLY A 77 -14.514 6.611 -8.888 1.00 0.00 O ATOM 0 H GLY A 77 -10.908 6.553 -10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.912 7.834 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.737 6.497 -11.493 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.619 5.382 -8.788 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.924 4.813 -7.486 1.00 0.00 C ATOM 1146 C GLN A 78 -11.829 5.172 -6.480 1.00 0.00 C ATOM 1147 O GLN A 78 -10.670 5.342 -6.853 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.108 3.297 -7.580 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.209 2.939 -8.580 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.633 2.192 -9.785 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -13.512 2.722 -10.877 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.286 0.934 -9.526 1.00 0.00 N ATOM 0 H GLN A 78 -11.736 5.072 -9.193 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.864 5.239 -7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.170 2.832 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.359 2.896 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.963 2.322 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.710 3.847 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.414 0.552 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.892 0.351 -10.265 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.236 5.277 -5.223 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.304 5.612 -4.160 1.00 0.00 C ATOM 1163 C VAL A 79 -10.459 4.383 -3.822 1.00 0.00 C ATOM 1164 O VAL A 79 -10.894 3.251 -4.026 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.065 6.165 -2.953 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.099 6.592 -1.845 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.976 7.324 -3.362 1.00 0.00 C ATOM 0 H VAL A 79 -13.199 5.136 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.620 6.397 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.695 5.367 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.665 6.981 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.511 5.732 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.432 7.367 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.505 7.698 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.375 8.125 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.698 6.976 -4.100 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.265 4.648 -3.312 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.354 3.577 -2.944 1.00 0.00 C ATOM 1179 C LEU A 80 -8.213 3.534 -1.421 1.00 0.00 C ATOM 1180 O LEU A 80 -7.940 4.555 -0.791 1.00 0.00 O ATOM 1181 CB LEU A 80 -7.022 3.729 -3.682 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.090 3.668 -5.209 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.700 3.832 -5.827 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.778 2.384 -5.676 1.00 0.00 C ATOM 0 H LEU A 80 -8.907 5.589 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.755 2.612 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.578 4.682 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.347 2.946 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.697 4.503 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.777 3.785 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.283 4.796 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.048 3.033 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.813 2.366 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.219 1.520 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.793 2.350 -5.280 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.404 2.343 -0.874 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.301 2.154 0.563 1.00 0.00 C ATOM 1198 C ASP A 81 -6.914 1.605 0.903 1.00 0.00 C ATOM 1199 O ASP A 81 -6.659 0.412 0.745 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.342 1.150 1.062 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.413 1.735 1.985 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.045 2.101 3.122 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.577 1.803 1.533 1.00 0.00 O ATOM 0 H ASP A 81 -8.630 1.499 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.470 3.118 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.833 0.700 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.827 0.348 1.590 1.00 0.00 H new ATOM 1208 N ILE A 82 -6.054 2.502 1.363 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.700 2.123 1.726 1.00 0.00 C ATOM 1210 C ILE A 82 -4.500 2.335 3.228 1.00 0.00 C ATOM 1211 O ILE A 82 -5.171 3.169 3.835 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.683 2.869 0.859 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.207 3.049 -0.567 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.322 2.171 0.887 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.150 3.701 -1.461 1.00 0.00 C ATOM 0 H ILE A 82 -6.269 3.491 1.492 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.536 1.064 1.529 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.541 3.865 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.490 2.080 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.106 3.665 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.618 2.721 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.951 2.139 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.426 1.155 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.548 3.818 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.887 4.680 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.261 3.071 -1.492 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.575 1.567 3.785 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.280 1.661 5.204 1.00 0.00 C ATOM 1229 C ASN A 83 -1.950 0.961 5.491 1.00 0.00 C ATOM 1230 O ASN A 83 -1.634 -0.056 4.875 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.364 0.977 6.039 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.603 -0.456 5.560 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.462 -0.728 4.737 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.797 -1.355 6.118 1.00 0.00 N ATOM 0 H ASN A 83 -3.020 0.877 3.279 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.234 2.717 5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.069 0.969 7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.292 1.546 5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.877 -2.339 5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.099 -1.060 6.801 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.206 1.533 6.426 1.00 0.00 N ATOM 1242 CA LEU A 84 0.083 0.977 6.802 1.00 0.00 C ATOM 1243 C LEU A 84 -0.121 -0.428 7.373 1.00 0.00 C ATOM 1244 O LEU A 84 -0.931 -0.623 8.278 1.00 0.00 O ATOM 1245 CB LEU A 84 0.820 1.925 7.750 1.00 0.00 C ATOM 1246 CG LEU A 84 1.997 2.694 7.147 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.321 3.939 7.976 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.216 1.786 6.977 1.00 0.00 C ATOM 0 H LEU A 84 -1.471 2.376 6.935 1.00 0.00 H new ATOM 0 HA LEU A 84 0.725 0.877 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.102 2.646 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.186 1.347 8.599 1.00 0.00 H new ATOM 0 HG LEU A 84 1.708 3.035 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.161 4.467 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.451 4.595 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.582 3.642 8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.038 2.358 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.516 1.394 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.964 0.958 6.314 1.00 0.00 H new ATOM 1260 N ALA A 85 0.629 -1.371 6.821 1.00 0.00 N ATOM 1261 CA ALA A 85 0.541 -2.752 7.264 1.00 0.00 C ATOM 1262 C ALA A 85 1.075 -2.859 8.694 1.00 0.00 C ATOM 1263 O ALA A 85 2.196 -3.316 8.909 1.00 0.00 O ATOM 1264 CB ALA A 85 1.304 -3.650 6.288 1.00 0.00 C ATOM 0 H ALA A 85 1.300 -1.206 6.071 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.496 -3.087 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.238 -4.686 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.868 -3.559 5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.350 -3.345 6.255 1.00 0.00 H new ATOM 1270 N ALA A 86 0.246 -2.430 9.634 1.00 0.00 N ATOM 1271 CA ALA A 86 0.620 -2.472 11.038 1.00 0.00 C ATOM 1272 C ALA A 86 -0.625 -2.258 11.900 1.00 0.00 C ATOM 1273 O ALA A 86 -0.917 -3.061 12.786 1.00 0.00 O ATOM 1274 CB ALA A 86 1.703 -1.425 11.309 1.00 0.00 C ATOM 0 H ALA A 86 -0.683 -2.052 9.451 1.00 0.00 H new ATOM 0 HA ALA A 86 1.036 -3.446 11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.984 -1.456 12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.577 -1.638 10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.320 -0.434 11.065 1.00 0.00 H new ATOM 1280 N GLU A 87 -1.327 -1.172 11.611 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.535 -0.843 12.349 1.00 0.00 C ATOM 1282 C GLU A 87 -3.761 -0.965 11.442 1.00 0.00 C ATOM 1283 O GLU A 87 -4.030 -0.079 10.632 1.00 0.00 O ATOM 1284 CB GLU A 87 -2.441 0.557 12.958 1.00 0.00 C ATOM 1285 CG GLU A 87 -2.074 0.486 14.442 1.00 0.00 C ATOM 1286 CD GLU A 87 -2.582 1.719 15.192 1.00 0.00 C ATOM 1287 OE1 GLU A 87 -2.151 2.830 14.814 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -3.389 1.522 16.126 1.00 0.00 O ATOM 0 H GLU A 87 -1.082 -0.509 10.876 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.642 -1.554 13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.693 1.141 12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.393 1.074 12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.502 -0.414 14.883 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.992 0.411 14.550 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.491 -2.100 11.611 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.682 -2.350 10.818 1.00 0.00 C ATOM 1297 C PRO A 88 -6.851 -1.485 11.296 1.00 0.00 C ATOM 1298 O PRO A 88 -7.085 -1.361 12.497 1.00 0.00 O ATOM 1299 CB PRO A 88 -5.947 -3.839 10.963 1.00 0.00 C ATOM 1300 CG PRO A 88 -5.176 -4.281 12.196 1.00 0.00 C ATOM 1301 CD PRO A 88 -4.203 -3.172 12.560 1.00 0.00 C ATOM 0 HA PRO A 88 -5.552 -2.083 9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.013 -4.037 11.077 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.615 -4.383 10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.858 -4.477 13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.640 -5.209 11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.347 -2.840 13.588 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.170 -3.508 12.476 1.00 0.00 H new ATOM 1309 N LYS A 89 -7.553 -0.910 10.331 1.00 0.00 N ATOM 1310 CA LYS A 89 -8.691 -0.061 10.638 1.00 0.00 C ATOM 1311 C LYS A 89 -9.898 -0.937 10.981 1.00 0.00 C ATOM 1312 O LYS A 89 -10.945 -0.834 10.344 1.00 0.00 O ATOM 1313 CB LYS A 89 -8.950 0.923 9.495 1.00 0.00 C ATOM 1314 CG LYS A 89 -8.834 2.369 9.980 1.00 0.00 C ATOM 1315 CD LYS A 89 -9.334 3.346 8.913 1.00 0.00 C ATOM 1316 CE LYS A 89 -8.306 4.451 8.657 1.00 0.00 C ATOM 1317 NZ LYS A 89 -7.475 4.122 7.478 1.00 0.00 N ATOM 0 H LYS A 89 -7.356 -1.015 9.336 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.483 0.553 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.236 0.747 8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.944 0.753 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.412 2.497 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.796 2.592 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.533 2.808 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.277 3.789 9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.816 5.401 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.671 4.575 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.783 4.882 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.974 3.226 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.084 4.026 6.640 1.00 0.00 H new ATOM 1331 N VAL A 90 -9.711 -1.780 11.986 1.00 0.00 N ATOM 1332 CA VAL A 90 -10.771 -2.673 12.420 1.00 0.00 C ATOM 1333 C VAL A 90 -11.604 -1.981 13.501 1.00 0.00 C ATOM 1334 O VAL A 90 -11.057 -1.438 14.459 1.00 0.00 O ATOM 1335 CB VAL A 90 -10.176 -4.004 12.885 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -9.554 -3.870 14.277 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -11.228 -5.114 12.860 1.00 0.00 C ATOM 0 H VAL A 90 -8.841 -1.863 12.512 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.440 -2.903 11.591 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.384 -4.278 12.188 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.138 -4.830 14.584 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.761 -3.123 14.251 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.319 -3.562 14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.779 -6.049 13.195 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.052 -4.849 13.523 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.604 -5.236 11.844 1.00 0.00 H new ATOM 1347 N ASN A 91 -12.915 -2.023 13.309 1.00 0.00 N ATOM 1348 CA ASN A 91 -13.829 -1.406 14.256 1.00 0.00 C ATOM 1349 C ASN A 91 -13.415 0.049 14.484 1.00 0.00 C ATOM 1350 O ASN A 91 -12.508 0.324 15.267 1.00 0.00 O ATOM 1351 CB ASN A 91 -13.793 -2.126 15.605 1.00 0.00 C ATOM 1352 CG ASN A 91 -14.081 -3.619 15.439 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -14.521 -4.081 14.398 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -13.810 -4.346 16.519 1.00 0.00 N ATOM 0 H ASN A 91 -13.365 -2.474 12.513 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.836 -1.467 13.842 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.815 -1.990 16.067 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.528 -1.683 16.277 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.969 -5.354 16.509 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.443 -3.896 17.358 1.00 0.00 H new ATOM 1361 N ARG A 92 -14.101 0.942 13.786 1.00 0.00 N ATOM 1362 CA ARG A 92 -13.816 2.362 13.903 1.00 0.00 C ATOM 1363 C ARG A 92 -14.190 2.865 15.299 1.00 0.00 C ATOM 1364 O ARG A 92 -13.341 3.380 16.025 1.00 0.00 O ATOM 1365 CB ARG A 92 -14.586 3.167 12.854 1.00 0.00 C ATOM 1366 CG ARG A 92 -13.878 4.488 12.548 1.00 0.00 C ATOM 1367 CD ARG A 92 -14.423 5.618 13.423 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.398 6.673 13.584 1.00 0.00 N ATOM 1369 CZ ARG A 92 -13.178 7.649 12.693 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.910 7.711 11.572 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -12.226 8.564 12.922 1.00 0.00 N ATOM 0 H ARG A 92 -14.853 0.710 13.138 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.748 2.501 13.738 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.682 2.582 11.940 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.596 3.366 13.213 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.807 4.378 12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.012 4.741 11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.321 6.038 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.711 5.227 14.399 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.823 6.656 14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.635 7.015 11.397 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.742 8.454 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.669 8.517 13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.059 9.307 12.243 1.00 0.00 H new ATOM 1385 N SER A 93 -15.461 2.699 15.631 1.00 0.00 N ATOM 1386 CA SER A 93 -15.958 3.130 16.927 1.00 0.00 C ATOM 1387 C SER A 93 -15.233 2.375 18.043 1.00 0.00 C ATOM 1388 O SER A 93 -15.007 1.171 17.938 1.00 0.00 O ATOM 1389 CB SER A 93 -17.469 2.916 17.036 1.00 0.00 C ATOM 1390 OG SER A 93 -18.176 4.148 17.157 1.00 0.00 O ATOM 0 H SER A 93 -16.162 2.272 15.026 1.00 0.00 H new ATOM 0 HA SER A 93 -15.761 4.197 17.032 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.824 2.380 16.156 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.685 2.288 17.900 1.00 0.00 H new ATOM 0 HG SER A 93 -19.137 3.969 17.222 1.00 0.00 H new ATOM 1396 N GLY A 94 -14.889 3.115 19.087 1.00 0.00 N ATOM 1397 CA GLY A 94 -14.194 2.531 20.222 1.00 0.00 C ATOM 1398 C GLY A 94 -12.999 3.392 20.635 1.00 0.00 C ATOM 1399 O GLY A 94 -12.563 4.259 19.880 1.00 0.00 O ATOM 0 H GLY A 94 -15.079 4.114 19.171 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.882 2.430 21.062 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.853 1.528 19.967 1.00 0.00 H new ATOM 1403 N PRO A 95 -12.490 3.115 21.866 1.00 0.00 N ATOM 1404 CA PRO A 95 -11.354 3.855 22.389 1.00 0.00 C ATOM 1405 C PRO A 95 -10.054 3.413 21.714 1.00 0.00 C ATOM 1406 O PRO A 95 -9.394 2.484 22.177 1.00 0.00 O ATOM 1407 CB PRO A 95 -11.366 3.588 23.886 1.00 0.00 C ATOM 1408 CG PRO A 95 -12.220 2.345 24.080 1.00 0.00 C ATOM 1409 CD PRO A 95 -12.980 2.095 22.788 1.00 0.00 C ATOM 0 HA PRO A 95 -11.420 4.924 22.188 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.355 3.430 24.263 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.781 4.436 24.431 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.595 1.487 24.327 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.913 2.484 24.910 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.791 1.092 22.405 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.056 2.181 22.939 1.00 0.00 H new ATOM 1417 N SER A 96 -9.725 4.100 20.630 1.00 0.00 N ATOM 1418 CA SER A 96 -8.516 3.790 19.886 1.00 0.00 C ATOM 1419 C SER A 96 -7.299 4.395 20.590 1.00 0.00 C ATOM 1420 O SER A 96 -7.128 5.613 20.604 1.00 0.00 O ATOM 1421 CB SER A 96 -8.607 4.304 18.448 1.00 0.00 C ATOM 1422 OG SER A 96 -8.777 5.717 18.396 1.00 0.00 O ATOM 0 H SER A 96 -10.275 4.870 20.249 1.00 0.00 H new ATOM 0 HA SER A 96 -8.405 2.706 19.849 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.702 4.028 17.906 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.442 3.820 17.942 1.00 0.00 H new ATOM 0 HG SER A 96 -8.275 6.134 19.127 1.00 0.00 H new ATOM 1428 N SER A 97 -6.485 3.516 21.156 1.00 0.00 N ATOM 1429 CA SER A 97 -5.289 3.949 21.859 1.00 0.00 C ATOM 1430 C SER A 97 -4.281 2.801 21.932 1.00 0.00 C ATOM 1431 O SER A 97 -4.664 1.632 21.918 1.00 0.00 O ATOM 1432 CB SER A 97 -5.628 4.447 23.266 1.00 0.00 C ATOM 1433 OG SER A 97 -4.458 4.674 24.048 1.00 0.00 O ATOM 0 H SER A 97 -6.630 2.506 21.142 1.00 0.00 H new ATOM 0 HA SER A 97 -4.847 4.778 21.305 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.202 5.371 23.195 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.262 3.716 23.767 1.00 0.00 H new ATOM 0 HG SER A 97 -4.716 4.993 24.938 1.00 0.00 H new ATOM 1439 N GLY A 98 -3.012 3.174 22.007 1.00 0.00 N ATOM 1440 CA GLY A 98 -1.945 2.190 22.082 1.00 0.00 C ATOM 1441 C GLY A 98 -1.112 2.187 20.799 1.00 0.00 C ATOM 1442 O GLY A 98 -1.096 1.198 20.068 1.00 0.00 O ATOM 0 H GLY A 98 -2.698 4.145 22.017 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.304 2.408 22.936 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.369 1.200 22.247 1.00 0.00 H new TER 1446 GLY A 98