USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 Single : A 1 GLY N :NH3+ -136:sc= 0.0539 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 36:sc= 0.369 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 38:sc= 0.618 USER MOD Single : A 12 MET CE :methyl 174:sc= -1.74 (180deg=-1.82) USER MOD Single : A 14 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-0.93) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0635 F(o=-1.2,f=-0.064) USER MOD Single : A 23 MET CE :methyl -132:sc= -6.35! (180deg=-11.9!) USER MOD Single : A 25 HIS : no HD1:sc= -6.5! C(o=-6.5!,f=-11!) USER MOD Single : A 27 MET CE :methyl 158:sc= -2.52! (180deg=-3.67!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0331 F(o=-0.64,f=-0.033) USER MOD Single : A 47 CYS SG : rot 92:sc= -7.35! USER MOD Single : A 48 SER OG : rot 27:sc= 0.181 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.431 K(o=-0.43,f=-4.1) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 79:sc= 0.0449 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -89:sc= -4.05! USER MOD Single : A 82 GLN : amide:sc= -0.903 X(o=-0.9,f=-0.98) USER MOD Single : A 83 THR OG1 : rot 118:sc= 0.824 USER MOD Single : A 93 GLN : amide:sc= -2.17! C(o=-2.2!,f=-2.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -5.4! C(o=-10!,f=-5.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -134:sc= 0.717! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -2.15 K(o=-2.2,f=-3.9) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.988 29.732 -28.613 1.00 0.00 N ATOM 2 CA GLY A 1 24.606 29.862 -27.306 1.00 0.00 C ATOM 3 C GLY A 1 25.574 28.734 -27.008 1.00 0.00 C ATOM 4 O GLY A 1 26.110 28.109 -27.923 1.00 0.00 O ATOM 0 H1 GLY A 1 23.984 30.657 -29.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.526 29.051 -29.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.010 29.395 -28.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.134 30.814 -27.250 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.830 29.882 -26.541 1.00 0.00 H new ATOM 8 N SER A 2 25.800 28.474 -25.724 1.00 0.00 N ATOM 9 CA SER A 2 26.715 27.418 -25.308 1.00 0.00 C ATOM 10 C SER A 2 26.433 26.990 -23.871 1.00 0.00 C ATOM 11 O SER A 2 26.079 27.811 -23.025 1.00 0.00 O ATOM 12 CB SER A 2 28.165 27.889 -25.436 1.00 0.00 C ATOM 13 OG SER A 2 29.070 26.841 -25.139 1.00 0.00 O ATOM 0 H SER A 2 25.362 28.980 -24.954 1.00 0.00 H new ATOM 0 HA SER A 2 26.561 26.560 -25.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.344 28.253 -26.448 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.339 28.727 -24.761 1.00 0.00 H new ATOM 0 HG SER A 2 29.990 27.167 -25.230 1.00 0.00 H new ATOM 19 N SER A 3 26.591 25.698 -23.603 1.00 0.00 N ATOM 20 CA SER A 3 26.350 25.158 -22.269 1.00 0.00 C ATOM 21 C SER A 3 27.071 25.986 -21.210 1.00 0.00 C ATOM 22 O SER A 3 28.295 26.111 -21.231 1.00 0.00 O ATOM 23 CB SER A 3 26.810 23.701 -22.195 1.00 0.00 C ATOM 24 OG SER A 3 28.186 23.584 -22.514 1.00 0.00 O ATOM 0 H SER A 3 26.885 25.005 -24.292 1.00 0.00 H new ATOM 0 HA SER A 3 25.279 25.203 -22.073 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.631 23.310 -21.193 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.221 23.095 -22.883 1.00 0.00 H new ATOM 0 HG SER A 3 28.669 24.363 -22.168 1.00 0.00 H new ATOM 30 N GLY A 4 26.302 26.550 -20.283 1.00 0.00 N ATOM 31 CA GLY A 4 26.884 27.358 -19.228 1.00 0.00 C ATOM 32 C GLY A 4 26.931 26.631 -17.899 1.00 0.00 C ATOM 33 O GLY A 4 27.903 26.751 -17.152 1.00 0.00 O ATOM 0 H GLY A 4 25.287 26.461 -20.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.894 27.651 -19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.306 28.275 -19.116 1.00 0.00 H new ATOM 37 N SER A 5 25.879 25.875 -17.602 1.00 0.00 N ATOM 38 CA SER A 5 25.802 25.129 -16.351 1.00 0.00 C ATOM 39 C SER A 5 26.922 24.097 -16.265 1.00 0.00 C ATOM 40 O SER A 5 27.193 23.376 -17.225 1.00 0.00 O ATOM 41 CB SER A 5 24.444 24.436 -16.229 1.00 0.00 C ATOM 42 OG SER A 5 24.430 23.532 -15.138 1.00 0.00 O ATOM 0 H SER A 5 25.068 25.763 -18.210 1.00 0.00 H new ATOM 0 HA SER A 5 25.917 25.834 -15.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.661 25.183 -16.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.221 23.901 -17.152 1.00 0.00 H new ATOM 0 HG SER A 5 23.551 23.103 -15.080 1.00 0.00 H new ATOM 48 N SER A 6 27.570 24.032 -15.106 1.00 0.00 N ATOM 49 CA SER A 6 28.664 23.091 -14.893 1.00 0.00 C ATOM 50 C SER A 6 28.129 21.704 -14.550 1.00 0.00 C ATOM 51 O SER A 6 27.486 21.512 -13.518 1.00 0.00 O ATOM 52 CB SER A 6 29.582 23.587 -13.774 1.00 0.00 C ATOM 53 OG SER A 6 30.829 22.916 -13.802 1.00 0.00 O ATOM 0 H SER A 6 27.356 24.620 -14.300 1.00 0.00 H new ATOM 0 HA SER A 6 29.236 23.022 -15.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.741 24.660 -13.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.102 23.428 -12.808 1.00 0.00 H new ATOM 0 HG SER A 6 31.398 23.252 -13.078 1.00 0.00 H new ATOM 59 N GLY A 7 28.398 20.739 -15.424 1.00 0.00 N ATOM 60 CA GLY A 7 27.937 19.382 -15.197 1.00 0.00 C ATOM 61 C GLY A 7 26.894 18.947 -16.207 1.00 0.00 C ATOM 62 O GLY A 7 25.771 19.448 -16.205 1.00 0.00 O ATOM 0 H GLY A 7 28.927 20.873 -16.286 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.787 18.701 -15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.520 19.307 -14.193 1.00 0.00 H new ATOM 66 N GLY A 8 27.268 18.013 -17.077 1.00 0.00 N ATOM 67 CA GLY A 8 26.346 17.528 -18.087 1.00 0.00 C ATOM 68 C GLY A 8 25.113 16.885 -17.485 1.00 0.00 C ATOM 69 O GLY A 8 24.002 17.407 -17.585 1.00 0.00 O ATOM 0 H GLY A 8 28.193 17.584 -17.100 1.00 0.00 H new ATOM 0 HA2 GLY A 8 26.044 18.357 -18.727 1.00 0.00 H new ATOM 0 HA3 GLY A 8 26.856 16.804 -18.723 1.00 0.00 H new ATOM 73 N PRO A 9 25.301 15.722 -16.844 1.00 0.00 N ATOM 74 CA PRO A 9 24.205 14.980 -16.212 1.00 0.00 C ATOM 75 C PRO A 9 23.664 15.688 -14.975 1.00 0.00 C ATOM 76 O PRO A 9 24.415 16.317 -14.229 1.00 0.00 O ATOM 77 CB PRO A 9 24.854 13.649 -15.826 1.00 0.00 C ATOM 78 CG PRO A 9 26.303 13.962 -15.681 1.00 0.00 C ATOM 79 CD PRO A 9 26.597 15.041 -16.686 1.00 0.00 C ATOM 0 HA PRO A 9 23.347 14.874 -16.877 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.438 13.261 -14.896 1.00 0.00 H new ATOM 0 HB3 PRO A 9 24.687 12.891 -16.591 1.00 0.00 H new ATOM 0 HG2 PRO A 9 26.530 14.299 -14.669 1.00 0.00 H new ATOM 0 HG3 PRO A 9 26.914 13.078 -15.867 1.00 0.00 H new ATOM 0 HD2 PRO A 9 27.369 15.723 -16.329 1.00 0.00 H new ATOM 0 HD3 PRO A 9 26.950 14.626 -17.630 1.00 0.00 H new ATOM 87 N SER A 10 22.356 15.581 -14.761 1.00 0.00 N ATOM 88 CA SER A 10 21.715 16.214 -13.615 1.00 0.00 C ATOM 89 C SER A 10 21.126 15.166 -12.675 1.00 0.00 C ATOM 90 O SER A 10 20.157 14.486 -13.014 1.00 0.00 O ATOM 91 CB SER A 10 20.616 17.171 -14.083 1.00 0.00 C ATOM 92 OG SER A 10 19.626 16.484 -14.829 1.00 0.00 O ATOM 0 H SER A 10 21.720 15.062 -15.366 1.00 0.00 H new ATOM 0 HA SER A 10 22.473 16.779 -13.072 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.157 17.652 -13.220 1.00 0.00 H new ATOM 0 HB3 SER A 10 21.053 17.961 -14.694 1.00 0.00 H new ATOM 0 HG SER A 10 19.471 15.601 -14.432 1.00 0.00 H new ATOM 98 N ARG A 11 21.719 15.042 -11.492 1.00 0.00 N ATOM 99 CA ARG A 11 21.255 14.077 -10.503 1.00 0.00 C ATOM 100 C ARG A 11 19.897 14.486 -9.939 1.00 0.00 C ATOM 101 O ARG A 11 19.681 15.648 -9.599 1.00 0.00 O ATOM 102 CB ARG A 11 22.273 13.949 -9.368 1.00 0.00 C ATOM 103 CG ARG A 11 23.530 13.189 -9.760 1.00 0.00 C ATOM 104 CD ARG A 11 24.502 14.077 -10.522 1.00 0.00 C ATOM 105 NE ARG A 11 24.907 15.242 -9.740 1.00 0.00 N ATOM 106 CZ ARG A 11 25.715 16.191 -10.201 1.00 0.00 C ATOM 107 NH1 ARG A 11 26.200 16.113 -11.432 1.00 0.00 N ATOM 108 NH2 ARG A 11 26.038 17.221 -9.429 1.00 0.00 N ATOM 0 H ARG A 11 22.521 15.598 -11.195 1.00 0.00 H new ATOM 0 HA ARG A 11 21.148 13.111 -10.997 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.553 14.946 -9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.802 13.445 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.016 12.800 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.261 12.330 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.385 13.498 -10.794 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.039 14.408 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 11 24.550 15.332 -8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.953 15.323 -12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.820 16.843 -11.783 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.666 17.284 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 11 26.658 17.949 -9.783 1.00 0.00 H new ATOM 122 N MET A 12 18.987 13.522 -9.845 1.00 0.00 N ATOM 123 CA MET A 12 17.651 13.782 -9.322 1.00 0.00 C ATOM 124 C MET A 12 17.688 13.981 -7.810 1.00 0.00 C ATOM 125 O MET A 12 17.461 13.044 -7.045 1.00 0.00 O ATOM 126 CB MET A 12 16.709 12.629 -9.673 1.00 0.00 C ATOM 127 CG MET A 12 16.204 12.671 -11.106 1.00 0.00 C ATOM 128 SD MET A 12 15.547 11.086 -11.658 1.00 0.00 S ATOM 129 CE MET A 12 14.295 10.786 -10.412 1.00 0.00 C ATOM 0 H MET A 12 19.150 12.555 -10.124 1.00 0.00 H new ATOM 0 HA MET A 12 17.280 14.698 -9.782 1.00 0.00 H new ATOM 0 HB2 MET A 12 17.227 11.684 -9.507 1.00 0.00 H new ATOM 0 HB3 MET A 12 15.856 12.649 -8.995 1.00 0.00 H new ATOM 0 HG2 MET A 12 15.427 13.431 -11.191 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.018 12.972 -11.765 1.00 0.00 H new ATOM 0 HE1 MET A 12 13.726 9.894 -10.675 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.773 10.639 -9.444 1.00 0.00 H new ATOM 0 HE3 MET A 12 13.623 11.642 -10.358 1.00 0.00 H new ATOM 139 N ARG A 13 17.976 15.208 -7.386 1.00 0.00 N ATOM 140 CA ARG A 13 18.045 15.528 -5.965 1.00 0.00 C ATOM 141 C ARG A 13 16.772 16.234 -5.506 1.00 0.00 C ATOM 142 O ARG A 13 16.704 17.464 -5.487 1.00 0.00 O ATOM 143 CB ARG A 13 19.262 16.409 -5.678 1.00 0.00 C ATOM 144 CG ARG A 13 19.296 16.957 -4.260 1.00 0.00 C ATOM 145 CD ARG A 13 19.919 15.962 -3.294 1.00 0.00 C ATOM 146 NE ARG A 13 19.593 16.270 -1.904 1.00 0.00 N ATOM 147 CZ ARG A 13 20.019 15.551 -0.872 1.00 0.00 C ATOM 148 NH1 ARG A 13 20.785 14.487 -1.072 1.00 0.00 N ATOM 149 NH2 ARG A 13 19.680 15.895 0.364 1.00 0.00 N ATOM 0 H ARG A 13 18.165 15.996 -8.006 1.00 0.00 H new ATOM 0 HA ARG A 13 18.143 14.594 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 13 20.169 15.831 -5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.271 17.242 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.863 17.888 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.283 17.195 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.571 14.957 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.002 15.963 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 13 19.006 17.082 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.048 14.219 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.111 13.937 -0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.091 16.713 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.008 15.342 1.156 1.00 0.00 H new ATOM 163 N HIS A 14 15.766 15.448 -5.136 1.00 0.00 N ATOM 164 CA HIS A 14 14.496 15.997 -4.676 1.00 0.00 C ATOM 165 C HIS A 14 13.619 14.906 -4.069 1.00 0.00 C ATOM 166 O HIS A 14 13.749 13.731 -4.413 1.00 0.00 O ATOM 167 CB HIS A 14 13.760 16.674 -5.833 1.00 0.00 C ATOM 168 CG HIS A 14 13.768 15.873 -7.098 1.00 0.00 C ATOM 169 ND1 HIS A 14 14.699 16.055 -8.099 1.00 0.00 N ATOM 170 CD2 HIS A 14 12.951 14.880 -7.522 1.00 0.00 C ATOM 171 CE1 HIS A 14 14.454 15.210 -9.084 1.00 0.00 C ATOM 172 NE2 HIS A 14 13.399 14.485 -8.759 1.00 0.00 N ATOM 0 H HIS A 14 15.806 14.429 -5.146 1.00 0.00 H new ATOM 0 HA HIS A 14 14.707 16.739 -3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.728 16.860 -5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.216 17.645 -6.025 1.00 0.00 H new ATOM 0 HD1 HIS A 14 15.458 16.736 -8.081 1.00 0.00 H new ATOM 0 HD2 HIS A 14 12.105 14.474 -6.987 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.020 15.126 -10.000 1.00 0.00 H new ATOM 180 N GLU A 15 12.729 15.302 -3.166 1.00 0.00 N ATOM 181 CA GLU A 15 11.833 14.356 -2.511 1.00 0.00 C ATOM 182 C GLU A 15 10.929 13.668 -3.530 1.00 0.00 C ATOM 183 O GLU A 15 10.274 14.326 -4.338 1.00 0.00 O ATOM 184 CB GLU A 15 10.982 15.070 -1.459 1.00 0.00 C ATOM 185 CG GLU A 15 11.799 15.843 -0.437 1.00 0.00 C ATOM 186 CD GLU A 15 11.052 17.037 0.125 1.00 0.00 C ATOM 187 OE1 GLU A 15 9.810 17.071 0.003 1.00 0.00 O ATOM 188 OE2 GLU A 15 11.711 17.938 0.686 1.00 0.00 O ATOM 0 H GLU A 15 12.609 16.271 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 15 12.443 13.597 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.300 15.756 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.369 14.334 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.077 15.176 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.725 16.184 -0.900 1.00 0.00 H new ATOM 195 N ARG A 16 10.901 12.340 -3.485 1.00 0.00 N ATOM 196 CA ARG A 16 10.080 11.562 -4.405 1.00 0.00 C ATOM 197 C ARG A 16 9.303 10.481 -3.659 1.00 0.00 C ATOM 198 O ARG A 16 8.793 9.538 -4.265 1.00 0.00 O ATOM 199 CB ARG A 16 10.954 10.923 -5.486 1.00 0.00 C ATOM 200 CG ARG A 16 12.285 10.406 -4.967 1.00 0.00 C ATOM 201 CD ARG A 16 12.159 8.992 -4.420 1.00 0.00 C ATOM 202 NE ARG A 16 13.214 8.679 -3.461 1.00 0.00 N ATOM 203 CZ ARG A 16 14.480 8.468 -3.804 1.00 0.00 C ATOM 204 NH1 ARG A 16 14.846 8.537 -5.077 1.00 0.00 N ATOM 205 NH2 ARG A 16 15.383 8.189 -2.873 1.00 0.00 N ATOM 0 H ARG A 16 11.437 11.781 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 16 9.367 12.238 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.407 10.098 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.140 11.656 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.021 10.422 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.654 11.069 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.187 8.874 -3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.196 8.280 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 16 12.966 8.619 -2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.155 8.753 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.819 8.375 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.105 8.136 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.355 8.027 -3.137 1.00 0.00 H new ATOM 219 N VAL A 17 9.219 10.624 -2.340 1.00 0.00 N ATOM 220 CA VAL A 17 8.504 9.660 -1.512 1.00 0.00 C ATOM 221 C VAL A 17 7.366 10.329 -0.749 1.00 0.00 C ATOM 222 O VAL A 17 7.469 11.488 -0.348 1.00 0.00 O ATOM 223 CB VAL A 17 9.448 8.976 -0.506 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.698 7.932 0.307 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.633 8.351 -1.228 1.00 0.00 C ATOM 0 H VAL A 17 9.637 11.397 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 17 8.094 8.907 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 17 9.827 9.732 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.382 7.460 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.886 8.411 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.287 7.176 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.290 7.872 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.274 7.607 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.185 9.126 -1.761 1.00 0.00 H new ATOM 235 N VAL A 18 6.278 9.590 -0.552 1.00 0.00 N ATOM 236 CA VAL A 18 5.120 10.110 0.164 1.00 0.00 C ATOM 237 C VAL A 18 4.727 9.191 1.315 1.00 0.00 C ATOM 238 O VAL A 18 4.918 7.976 1.246 1.00 0.00 O ATOM 239 CB VAL A 18 3.911 10.284 -0.775 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.350 10.877 -2.105 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.202 8.955 -0.982 1.00 0.00 C ATOM 0 H VAL A 18 6.175 8.629 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 18 5.405 11.084 0.562 1.00 0.00 H new ATOM 0 HB VAL A 18 3.208 10.975 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.483 10.993 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.809 11.851 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.073 10.213 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.351 9.097 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.894 8.239 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.852 8.576 -0.022 1.00 0.00 H new ATOM 251 N ILE A 19 4.176 9.778 2.372 1.00 0.00 N ATOM 252 CA ILE A 19 3.754 9.011 3.538 1.00 0.00 C ATOM 253 C ILE A 19 2.242 9.079 3.723 1.00 0.00 C ATOM 254 O ILE A 19 1.614 10.094 3.418 1.00 0.00 O ATOM 255 CB ILE A 19 4.440 9.514 4.821 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.941 9.696 4.586 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.192 8.547 5.969 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.606 8.488 3.963 1.00 0.00 C ATOM 0 H ILE A 19 4.011 10.782 2.445 1.00 0.00 H new ATOM 0 HA ILE A 19 4.050 7.977 3.359 1.00 0.00 H new ATOM 0 HB ILE A 19 4.013 10.481 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.097 10.560 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.425 9.917 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.684 8.917 6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.120 8.463 6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.594 7.567 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.669 8.688 3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.481 7.626 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.148 8.279 2.996 1.00 0.00 H new ATOM 270 N ILE A 20 1.663 7.994 4.226 1.00 0.00 N ATOM 271 CA ILE A 20 0.225 7.932 4.455 1.00 0.00 C ATOM 272 C ILE A 20 -0.086 7.529 5.893 1.00 0.00 C ATOM 273 O ILE A 20 0.653 6.759 6.507 1.00 0.00 O ATOM 274 CB ILE A 20 -0.455 6.937 3.496 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.134 7.067 2.090 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.958 7.170 3.471 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.450 8.214 1.294 1.00 0.00 C ATOM 0 H ILE A 20 2.168 7.146 4.483 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.168 8.931 4.267 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.270 5.924 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.213 7.201 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.033 6.137 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.425 6.460 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.364 7.032 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.163 8.186 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.014 8.246 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.525 8.071 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.260 9.152 1.815 1.00 0.00 H new ATOM 289 N LYS A 21 -1.185 8.053 6.423 1.00 0.00 N ATOM 290 CA LYS A 21 -1.598 7.746 7.788 1.00 0.00 C ATOM 291 C LYS A 21 -3.044 7.263 7.823 1.00 0.00 C ATOM 292 O LYS A 21 -3.804 7.478 6.880 1.00 0.00 O ATOM 293 CB LYS A 21 -1.439 8.979 8.680 1.00 0.00 C ATOM 294 CG LYS A 21 -0.094 9.052 9.382 1.00 0.00 C ATOM 295 CD LYS A 21 1.029 9.359 8.406 1.00 0.00 C ATOM 296 CE LYS A 21 2.367 9.487 9.118 1.00 0.00 C ATOM 297 NZ LYS A 21 2.636 10.888 9.545 1.00 0.00 N ATOM 0 H LYS A 21 -1.807 8.693 5.928 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.958 6.948 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.572 9.875 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.231 8.980 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.127 9.821 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.107 8.105 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.088 8.569 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.808 10.285 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.378 8.833 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.164 9.150 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.557 10.934 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.650 11.509 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.889 11.202 10.197 1.00 0.00 H new ATOM 311 N ASN A 22 -3.419 6.609 8.918 1.00 0.00 N ATOM 312 CA ASN A 22 -4.775 6.096 9.077 1.00 0.00 C ATOM 313 C ASN A 22 -5.238 5.384 7.810 1.00 0.00 C ATOM 314 O ASN A 22 -6.294 5.697 7.260 1.00 0.00 O ATOM 315 CB ASN A 22 -5.737 7.237 9.415 1.00 0.00 C ATOM 316 CG ASN A 22 -6.893 6.779 10.283 1.00 0.00 C ATOM 317 OD1 ASN A 22 -8.101 6.827 9.732 1.00 0.00 O flip ATOM 318 ND2 ASN A 22 -6.703 6.387 11.434 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.802 6.422 9.709 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.772 5.377 9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.192 8.029 9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.127 7.666 8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.758 6.367 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.491 6.082 12.005 1.00 0.00 H new ATOM 325 N MET A 23 -4.441 4.424 7.352 1.00 0.00 N ATOM 326 CA MET A 23 -4.771 3.666 6.151 1.00 0.00 C ATOM 327 C MET A 23 -4.859 2.174 6.457 1.00 0.00 C ATOM 328 O MET A 23 -5.442 1.407 5.690 1.00 0.00 O ATOM 329 CB MET A 23 -3.724 3.913 5.062 1.00 0.00 C ATOM 330 CG MET A 23 -2.301 3.621 5.509 1.00 0.00 C ATOM 331 SD MET A 23 -1.233 3.123 4.145 1.00 0.00 S ATOM 332 CE MET A 23 -2.194 1.791 3.431 1.00 0.00 C ATOM 0 H MET A 23 -3.563 4.153 7.794 1.00 0.00 H new ATOM 0 HA MET A 23 -5.744 4.005 5.794 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.959 3.293 4.197 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.788 4.951 4.737 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.885 4.508 5.986 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.315 2.832 6.261 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.551 0.926 3.267 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.001 1.520 4.111 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.615 2.116 2.480 1.00 0.00 H new ATOM 342 N PHE A 24 -4.279 1.770 7.582 1.00 0.00 N ATOM 343 CA PHE A 24 -4.291 0.369 7.988 1.00 0.00 C ATOM 344 C PHE A 24 -3.943 0.229 9.467 1.00 0.00 C ATOM 345 O PHE A 24 -3.583 1.204 10.127 1.00 0.00 O ATOM 346 CB PHE A 24 -3.305 -0.438 7.142 1.00 0.00 C ATOM 347 CG PHE A 24 -1.866 -0.135 7.446 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.264 -0.640 8.587 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.115 0.655 6.590 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.060 -0.362 8.869 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.210 0.936 6.867 1.00 0.00 C ATOM 352 CZ PHE A 24 0.798 0.426 8.008 1.00 0.00 C ATOM 0 H PHE A 24 -3.795 2.392 8.229 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.297 -0.020 7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.486 -1.501 7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.495 -0.238 6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.836 -1.258 9.264 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.570 1.056 5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.517 -0.761 9.762 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.784 1.553 6.192 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.833 0.643 8.226 1.00 0.00 H new ATOM 362 N HIS A 25 -4.055 -0.991 9.982 1.00 0.00 N ATOM 363 CA HIS A 25 -3.753 -1.261 11.383 1.00 0.00 C ATOM 364 C HIS A 25 -3.183 -2.665 11.556 1.00 0.00 C ATOM 365 O HIS A 25 -3.626 -3.623 10.922 1.00 0.00 O ATOM 366 CB HIS A 25 -5.010 -1.099 12.238 1.00 0.00 C ATOM 367 CG HIS A 25 -4.722 -0.755 13.667 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.485 -1.706 14.637 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.632 0.444 14.289 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.263 -1.107 15.793 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.346 0.198 15.609 1.00 0.00 N ATOM 0 H HIS A 25 -4.353 -1.809 9.450 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.004 -0.541 11.712 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.636 -0.319 11.804 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.584 -2.025 12.204 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.761 1.414 13.832 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.050 -1.601 16.730 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.218 0.908 16.330 1.00 0.00 H new ATOM 379 N PRO A 26 -2.177 -2.793 12.434 1.00 0.00 N ATOM 380 CA PRO A 26 -1.525 -4.077 12.710 1.00 0.00 C ATOM 381 C PRO A 26 -2.436 -5.038 13.465 1.00 0.00 C ATOM 382 O PRO A 26 -2.002 -6.104 13.903 1.00 0.00 O ATOM 383 CB PRO A 26 -0.325 -3.686 13.575 1.00 0.00 C ATOM 384 CG PRO A 26 -0.724 -2.404 14.220 1.00 0.00 C ATOM 385 CD PRO A 26 -1.598 -1.694 13.224 1.00 0.00 C ATOM 0 HA PRO A 26 -1.254 -4.603 11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.107 -4.452 14.319 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.574 -3.562 12.972 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.261 -2.586 15.151 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.151 -1.804 14.469 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.370 -1.103 13.716 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.023 -1.010 12.600 1.00 0.00 H new ATOM 393 N MET A 27 -3.700 -4.656 13.613 1.00 0.00 N ATOM 394 CA MET A 27 -4.672 -5.487 14.315 1.00 0.00 C ATOM 395 C MET A 27 -5.532 -6.268 13.327 1.00 0.00 C ATOM 396 O MET A 27 -6.133 -7.283 13.680 1.00 0.00 O ATOM 397 CB MET A 27 -5.561 -4.622 15.211 1.00 0.00 C ATOM 398 CG MET A 27 -4.828 -4.029 16.403 1.00 0.00 C ATOM 399 SD MET A 27 -4.891 -5.094 17.857 1.00 0.00 S ATOM 400 CE MET A 27 -3.967 -6.514 17.276 1.00 0.00 C ATOM 0 H MET A 27 -4.075 -3.777 13.257 1.00 0.00 H new ATOM 0 HA MET A 27 -4.126 -6.198 14.935 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.985 -3.813 14.616 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.396 -5.224 15.571 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.787 -3.851 16.133 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.264 -3.060 16.648 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.582 -7.072 18.130 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.621 -7.157 16.687 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.135 -6.178 16.657 1.00 0.00 H new ATOM 410 N ASP A 28 -5.587 -5.789 12.089 1.00 0.00 N ATOM 411 CA ASP A 28 -6.373 -6.444 11.050 1.00 0.00 C ATOM 412 C ASP A 28 -5.593 -7.595 10.422 1.00 0.00 C ATOM 413 O ASP A 28 -6.161 -8.635 10.088 1.00 0.00 O ATOM 414 CB ASP A 28 -6.775 -5.436 9.973 1.00 0.00 C ATOM 415 CG ASP A 28 -7.777 -4.416 10.479 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.352 -3.442 11.135 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.985 -4.592 10.218 1.00 0.00 O ATOM 0 H ASP A 28 -5.097 -4.949 11.781 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.274 -6.849 11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.885 -4.919 9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.201 -5.968 9.122 1.00 0.00 H new ATOM 422 N PHE A 29 -4.288 -7.401 10.263 1.00 0.00 N ATOM 423 CA PHE A 29 -3.430 -8.421 9.672 1.00 0.00 C ATOM 424 C PHE A 29 -3.354 -9.653 10.569 1.00 0.00 C ATOM 425 O PHE A 29 -3.122 -10.765 10.094 1.00 0.00 O ATOM 426 CB PHE A 29 -2.025 -7.862 9.436 1.00 0.00 C ATOM 427 CG PHE A 29 -2.018 -6.427 8.991 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.894 -5.988 8.010 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.137 -5.518 9.552 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.889 -4.669 7.598 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.128 -4.197 9.144 1.00 0.00 C ATOM 432 CZ PHE A 29 -2.006 -3.772 8.167 1.00 0.00 C ATOM 0 H PHE A 29 -3.802 -6.547 10.535 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.863 -8.714 8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.448 -7.952 10.356 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.522 -8.470 8.684 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.588 -6.685 7.563 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.449 -5.845 10.317 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.575 -4.340 6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.435 -3.498 9.589 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.002 -2.740 7.848 1.00 0.00 H new ATOM 442 N GLU A 30 -3.552 -9.447 11.867 1.00 0.00 N ATOM 443 CA GLU A 30 -3.505 -10.541 12.830 1.00 0.00 C ATOM 444 C GLU A 30 -4.682 -11.492 12.631 1.00 0.00 C ATOM 445 O GLU A 30 -4.578 -12.689 12.900 1.00 0.00 O ATOM 446 CB GLU A 30 -3.514 -9.993 14.259 1.00 0.00 C ATOM 447 CG GLU A 30 -2.332 -9.092 14.573 1.00 0.00 C ATOM 448 CD GLU A 30 -1.147 -9.857 15.129 1.00 0.00 C ATOM 449 OE1 GLU A 30 -1.369 -10.820 15.893 1.00 0.00 O ATOM 450 OE2 GLU A 30 0.002 -9.494 14.801 1.00 0.00 O ATOM 0 H GLU A 30 -3.746 -8.533 12.276 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.581 -11.095 12.667 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.437 -9.436 14.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.519 -10.828 14.959 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.029 -8.568 13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.640 -8.333 15.292 1.00 0.00 H new ATOM 457 N ASP A 31 -5.799 -10.950 12.158 1.00 0.00 N ATOM 458 CA ASP A 31 -6.995 -11.750 11.922 1.00 0.00 C ATOM 459 C ASP A 31 -6.980 -12.349 10.519 1.00 0.00 C ATOM 460 O ASP A 31 -7.539 -13.421 10.285 1.00 0.00 O ATOM 461 CB ASP A 31 -8.250 -10.896 12.111 1.00 0.00 C ATOM 462 CG ASP A 31 -9.526 -11.706 11.981 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.713 -12.352 10.929 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.337 -11.692 12.931 1.00 0.00 O ATOM 0 H ASP A 31 -5.901 -9.961 11.931 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.006 -12.565 12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.221 -10.425 13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.255 -10.094 11.373 1.00 0.00 H new ATOM 469 N ASP A 32 -6.338 -11.651 9.590 1.00 0.00 N ATOM 470 CA ASP A 32 -6.250 -12.114 8.210 1.00 0.00 C ATOM 471 C ASP A 32 -5.245 -11.281 7.420 1.00 0.00 C ATOM 472 O ASP A 32 -5.168 -10.060 7.558 1.00 0.00 O ATOM 473 CB ASP A 32 -7.623 -12.050 7.539 1.00 0.00 C ATOM 474 CG ASP A 32 -8.406 -13.338 7.698 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.855 -14.411 7.373 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.569 -13.273 8.148 1.00 0.00 O ATOM 0 H ASP A 32 -5.870 -10.762 9.767 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.908 -13.149 8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.195 -11.226 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.496 -11.834 6.478 1.00 0.00 H new ATOM 481 N PRO A 33 -4.453 -11.955 6.573 1.00 0.00 N ATOM 482 CA PRO A 33 -3.438 -11.297 5.745 1.00 0.00 C ATOM 483 C PRO A 33 -4.054 -10.441 4.643 1.00 0.00 C ATOM 484 O PRO A 33 -3.533 -9.377 4.306 1.00 0.00 O ATOM 485 CB PRO A 33 -2.660 -12.469 5.140 1.00 0.00 C ATOM 486 CG PRO A 33 -3.624 -13.605 5.142 1.00 0.00 C ATOM 487 CD PRO A 33 -4.489 -13.412 6.357 1.00 0.00 C ATOM 0 HA PRO A 33 -2.820 -10.611 6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.321 -12.240 4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.773 -12.702 5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.224 -13.609 4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.101 -14.560 5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.505 -13.768 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.100 -13.956 7.218 1.00 0.00 H new ATOM 495 N LEU A 34 -5.164 -10.911 4.086 1.00 0.00 N ATOM 496 CA LEU A 34 -5.852 -10.188 3.022 1.00 0.00 C ATOM 497 C LEU A 34 -5.853 -8.688 3.296 1.00 0.00 C ATOM 498 O LEU A 34 -5.565 -7.884 2.409 1.00 0.00 O ATOM 499 CB LEU A 34 -7.289 -10.693 2.882 1.00 0.00 C ATOM 500 CG LEU A 34 -7.469 -11.999 2.106 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.475 -11.733 0.609 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.373 -12.990 2.469 1.00 0.00 C ATOM 0 H LEU A 34 -5.607 -11.790 4.353 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.317 -10.368 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.705 -10.827 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.879 -9.918 2.392 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.430 -12.434 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.604 -12.673 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.296 -11.059 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.530 -11.276 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.517 -13.913 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.401 -12.563 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.415 -13.204 3.537 1.00 0.00 H new ATOM 514 N VAL A 35 -6.176 -8.317 4.531 1.00 0.00 N ATOM 515 CA VAL A 35 -6.211 -6.913 4.924 1.00 0.00 C ATOM 516 C VAL A 35 -4.986 -6.167 4.406 1.00 0.00 C ATOM 517 O VAL A 35 -5.107 -5.177 3.685 1.00 0.00 O ATOM 518 CB VAL A 35 -6.283 -6.760 6.455 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.303 -5.289 6.844 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.503 -7.482 7.005 1.00 0.00 C ATOM 0 H VAL A 35 -6.417 -8.970 5.277 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.109 -6.482 4.481 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.393 -7.214 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.354 -5.200 7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.396 -4.805 6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.174 -4.807 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.538 -7.364 8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.406 -7.059 6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.441 -8.542 6.758 1.00 0.00 H new ATOM 530 N LEU A 36 -3.806 -6.650 4.779 1.00 0.00 N ATOM 531 CA LEU A 36 -2.556 -6.029 4.353 1.00 0.00 C ATOM 532 C LEU A 36 -2.370 -6.161 2.844 1.00 0.00 C ATOM 533 O LEU A 36 -1.809 -5.277 2.199 1.00 0.00 O ATOM 534 CB LEU A 36 -1.372 -6.667 5.082 1.00 0.00 C ATOM 535 CG LEU A 36 -0.066 -5.871 5.065 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.167 -4.660 5.980 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.102 -6.756 5.475 1.00 0.00 C ATOM 0 H LEU A 36 -3.688 -7.469 5.375 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.601 -4.969 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.658 -6.835 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.184 -7.646 4.640 1.00 0.00 H new ATOM 0 HG LEU A 36 0.110 -5.519 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.771 -4.106 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.978 -4.015 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.367 -4.990 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.023 -6.174 5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.933 -7.138 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.187 -7.591 4.780 1.00 0.00 H new ATOM 549 N ASN A 37 -2.847 -7.271 2.289 1.00 0.00 N ATOM 550 CA ASN A 37 -2.734 -7.518 0.856 1.00 0.00 C ATOM 551 C ASN A 37 -3.475 -6.448 0.060 1.00 0.00 C ATOM 552 O ASN A 37 -2.872 -5.711 -0.719 1.00 0.00 O ATOM 553 CB ASN A 37 -3.288 -8.902 0.511 1.00 0.00 C ATOM 554 CG ASN A 37 -2.272 -10.004 0.739 1.00 0.00 C ATOM 555 OD1 ASN A 37 -2.597 -10.934 1.629 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -1.207 -10.019 0.120 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.315 -8.013 2.809 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.678 -7.479 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.174 -9.097 1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.605 -8.914 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.999 -9.283 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.533 -10.767 0.283 1.00 0.00 H new ATOM 563 N GLU A 38 -4.787 -6.370 0.263 1.00 0.00 N ATOM 564 CA GLU A 38 -5.610 -5.390 -0.437 1.00 0.00 C ATOM 565 C GLU A 38 -5.080 -3.976 -0.215 1.00 0.00 C ATOM 566 O GLU A 38 -4.998 -3.179 -1.150 1.00 0.00 O ATOM 567 CB GLU A 38 -7.063 -5.482 0.035 1.00 0.00 C ATOM 568 CG GLU A 38 -7.211 -6.024 1.446 1.00 0.00 C ATOM 569 CD GLU A 38 -8.401 -5.432 2.177 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.546 -5.804 1.845 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.187 -4.597 3.080 1.00 0.00 O ATOM 0 H GLU A 38 -5.302 -6.972 0.905 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.567 -5.612 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.516 -4.492 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.619 -6.121 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.317 -7.108 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.302 -5.813 2.009 1.00 0.00 H new ATOM 578 N ILE A 39 -4.722 -3.673 1.028 1.00 0.00 N ATOM 579 CA ILE A 39 -4.200 -2.357 1.373 1.00 0.00 C ATOM 580 C ILE A 39 -2.907 -2.064 0.620 1.00 0.00 C ATOM 581 O ILE A 39 -2.775 -1.023 -0.025 1.00 0.00 O ATOM 582 CB ILE A 39 -3.938 -2.234 2.886 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.249 -2.365 3.665 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.260 -0.909 3.200 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.051 -2.667 5.134 1.00 0.00 C ATOM 0 H ILE A 39 -4.784 -4.321 1.813 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.959 -1.631 1.083 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.273 -3.042 3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.815 -1.439 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.851 -3.156 3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.081 -0.837 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.310 -0.852 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.902 -0.087 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.022 -2.746 5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.512 -3.608 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.476 -1.864 5.596 1.00 0.00 H new ATOM 597 N ARG A 40 -1.957 -2.989 0.704 1.00 0.00 N ATOM 598 CA ARG A 40 -0.674 -2.830 0.029 1.00 0.00 C ATOM 599 C ARG A 40 -0.873 -2.566 -1.461 1.00 0.00 C ATOM 600 O ARG A 40 -0.471 -1.522 -1.974 1.00 0.00 O ATOM 601 CB ARG A 40 0.188 -4.079 0.226 1.00 0.00 C ATOM 602 CG ARG A 40 1.581 -3.957 -0.368 1.00 0.00 C ATOM 603 CD ARG A 40 2.117 -5.308 -0.814 1.00 0.00 C ATOM 604 NE ARG A 40 1.672 -5.656 -2.160 1.00 0.00 N ATOM 605 CZ ARG A 40 1.787 -6.873 -2.680 1.00 0.00 C ATOM 606 NH1 ARG A 40 2.330 -7.853 -1.970 1.00 0.00 N ATOM 607 NH2 ARG A 40 1.359 -7.112 -3.913 1.00 0.00 N ATOM 0 H ARG A 40 -2.051 -3.856 1.233 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.164 -1.972 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.274 -4.286 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.317 -4.933 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.557 -3.275 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.255 -3.522 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.207 -5.293 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.790 -6.077 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 40 1.250 -4.925 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.661 -7.673 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.417 -8.786 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.941 -6.361 -4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.448 -8.047 -4.311 1.00 0.00 H new ATOM 621 N GLU A 41 -1.494 -3.519 -2.148 1.00 0.00 N ATOM 622 CA GLU A 41 -1.744 -3.389 -3.579 1.00 0.00 C ATOM 623 C GLU A 41 -2.487 -2.092 -3.885 1.00 0.00 C ATOM 624 O GLU A 41 -2.245 -1.452 -4.909 1.00 0.00 O ATOM 625 CB GLU A 41 -2.550 -4.585 -4.089 1.00 0.00 C ATOM 626 CG GLU A 41 -4.054 -4.373 -4.034 1.00 0.00 C ATOM 627 CD GLU A 41 -4.829 -5.673 -4.119 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.233 -6.693 -4.524 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.031 -5.671 -3.782 1.00 0.00 O ATOM 0 H GLU A 41 -1.833 -4.389 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.781 -3.365 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.259 -4.797 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.294 -5.464 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.311 -3.861 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.355 -3.720 -4.853 1.00 0.00 H new ATOM 636 N ASP A 42 -3.393 -1.711 -2.992 1.00 0.00 N ATOM 637 CA ASP A 42 -4.172 -0.490 -3.165 1.00 0.00 C ATOM 638 C ASP A 42 -3.259 0.728 -3.265 1.00 0.00 C ATOM 639 O ASP A 42 -3.461 1.600 -4.111 1.00 0.00 O ATOM 640 CB ASP A 42 -5.151 -0.316 -2.003 1.00 0.00 C ATOM 641 CG ASP A 42 -6.491 -0.972 -2.271 1.00 0.00 C ATOM 642 OD1 ASP A 42 -7.084 -0.698 -3.336 1.00 0.00 O ATOM 643 OD2 ASP A 42 -6.948 -1.760 -1.416 1.00 0.00 O ATOM 0 H ASP A 42 -3.607 -2.230 -2.140 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.735 -0.576 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.716 -0.741 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.301 0.747 -1.815 1.00 0.00 H new ATOM 648 N LEU A 43 -2.256 0.782 -2.396 1.00 0.00 N ATOM 649 CA LEU A 43 -1.312 1.894 -2.385 1.00 0.00 C ATOM 650 C LEU A 43 -0.465 1.901 -3.654 1.00 0.00 C ATOM 651 O LEU A 43 -0.009 2.954 -4.101 1.00 0.00 O ATOM 652 CB LEU A 43 -0.407 1.808 -1.155 1.00 0.00 C ATOM 653 CG LEU A 43 -0.883 2.571 0.082 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.050 2.318 1.256 1.00 0.00 C ATOM 655 CD2 LEU A 43 -0.981 4.060 -0.214 1.00 0.00 C ATOM 0 H LEU A 43 -2.075 0.069 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.882 2.822 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.290 0.758 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.581 2.179 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.876 2.209 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.304 2.869 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.068 1.252 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.056 2.652 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.321 4.587 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.002 4.438 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.691 4.224 -1.025 1.00 0.00 H new ATOM 667 N ARG A 44 -0.261 0.721 -4.230 1.00 0.00 N ATOM 668 CA ARG A 44 0.530 0.592 -5.448 1.00 0.00 C ATOM 669 C ARG A 44 -0.300 0.954 -6.676 1.00 0.00 C ATOM 670 O ARG A 44 0.231 1.433 -7.678 1.00 0.00 O ATOM 671 CB ARG A 44 1.067 -0.834 -5.584 1.00 0.00 C ATOM 672 CG ARG A 44 2.398 -0.916 -6.313 1.00 0.00 C ATOM 673 CD ARG A 44 3.125 -2.215 -6.000 1.00 0.00 C ATOM 674 NE ARG A 44 3.965 -2.654 -7.111 1.00 0.00 N ATOM 675 CZ ARG A 44 3.485 -3.195 -8.225 1.00 0.00 C ATOM 676 NH1 ARG A 44 2.179 -3.364 -8.375 1.00 0.00 N ATOM 677 NH2 ARG A 44 4.313 -3.570 -9.192 1.00 0.00 N ATOM 0 H ARG A 44 -0.632 -0.159 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 44 1.369 1.284 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.179 -1.267 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.333 -1.440 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.231 -0.841 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.023 -0.070 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.741 -2.080 -5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.396 -2.991 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 44 4.975 -2.539 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.539 -3.078 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.814 -3.780 -9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.319 -3.443 -9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.944 -3.985 -10.047 1.00 0.00 H new ATOM 691 N VAL A 45 -1.606 0.721 -6.591 1.00 0.00 N ATOM 692 CA VAL A 45 -2.510 1.022 -7.695 1.00 0.00 C ATOM 693 C VAL A 45 -3.025 2.454 -7.608 1.00 0.00 C ATOM 694 O VAL A 45 -3.452 3.032 -8.607 1.00 0.00 O ATOM 695 CB VAL A 45 -3.710 0.057 -7.717 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.250 -1.373 -7.479 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.745 0.471 -6.682 1.00 0.00 C ATOM 0 H VAL A 45 -2.062 0.325 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.938 0.900 -8.615 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.174 0.105 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.112 -2.040 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.548 -1.664 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.760 -1.441 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.586 -0.222 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.295 0.453 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.097 1.479 -6.902 1.00 0.00 H new ATOM 707 N GLU A 46 -2.981 3.021 -6.406 1.00 0.00 N ATOM 708 CA GLU A 46 -3.444 4.387 -6.189 1.00 0.00 C ATOM 709 C GLU A 46 -2.386 5.396 -6.627 1.00 0.00 C ATOM 710 O GLU A 46 -2.691 6.373 -7.312 1.00 0.00 O ATOM 711 CB GLU A 46 -3.791 4.603 -4.715 1.00 0.00 C ATOM 712 CG GLU A 46 -2.617 5.078 -3.876 1.00 0.00 C ATOM 713 CD GLU A 46 -3.031 5.505 -2.481 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.232 5.392 -2.159 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.154 5.953 -1.712 1.00 0.00 O ATOM 0 H GLU A 46 -2.630 2.556 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.339 4.540 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.597 5.334 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.170 3.669 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.880 4.278 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.131 5.914 -4.379 1.00 0.00 H new ATOM 722 N CYS A 47 -1.143 5.152 -6.227 1.00 0.00 N ATOM 723 CA CYS A 47 -0.040 6.040 -6.576 1.00 0.00 C ATOM 724 C CYS A 47 0.359 5.862 -8.038 1.00 0.00 C ATOM 725 O CYS A 47 1.065 6.696 -8.605 1.00 0.00 O ATOM 726 CB CYS A 47 1.163 5.772 -5.670 1.00 0.00 C ATOM 727 SG CYS A 47 0.864 6.124 -3.922 1.00 0.00 S ATOM 0 H CYS A 47 -0.874 4.347 -5.661 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.373 7.068 -6.432 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.457 4.728 -5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.004 6.375 -6.012 1.00 0.00 H new ATOM 0 HG CYS A 47 0.438 5.048 -3.329 1.00 0.00 H new ATOM 733 N SER A 48 -0.097 4.769 -8.641 1.00 0.00 N ATOM 734 CA SER A 48 0.217 4.479 -10.035 1.00 0.00 C ATOM 735 C SER A 48 -0.719 5.236 -10.972 1.00 0.00 C ATOM 736 O SER A 48 -0.352 5.571 -12.099 1.00 0.00 O ATOM 737 CB SER A 48 0.115 2.975 -10.301 1.00 0.00 C ATOM 738 OG SER A 48 0.282 2.688 -11.678 1.00 0.00 O ATOM 0 H SER A 48 -0.685 4.070 -8.186 1.00 0.00 H new ATOM 0 HA SER A 48 1.239 4.807 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.873 2.448 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.855 2.608 -9.965 1.00 0.00 H new ATOM 0 HG SER A 48 0.830 3.386 -12.094 1.00 0.00 H new ATOM 744 N LYS A 49 -1.931 5.504 -10.498 1.00 0.00 N ATOM 745 CA LYS A 49 -2.921 6.223 -11.290 1.00 0.00 C ATOM 746 C LYS A 49 -2.287 7.411 -12.006 1.00 0.00 C ATOM 747 O LYS A 49 -2.533 7.638 -13.191 1.00 0.00 O ATOM 748 CB LYS A 49 -4.067 6.705 -10.397 1.00 0.00 C ATOM 749 CG LYS A 49 -4.718 5.594 -9.591 1.00 0.00 C ATOM 750 CD LYS A 49 -5.118 4.424 -10.474 1.00 0.00 C ATOM 751 CE LYS A 49 -5.963 3.415 -9.714 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.413 3.751 -9.769 1.00 0.00 N ATOM 0 H LYS A 49 -2.251 5.234 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.316 5.538 -12.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.689 7.465 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.824 7.184 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.028 5.250 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.599 5.983 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.676 4.791 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.223 3.934 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.805 2.421 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.638 3.379 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.955 3.039 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.568 4.689 -9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.730 3.760 -10.760 1.00 0.00 H new ATOM 766 N PHE A 50 -1.470 8.166 -11.279 1.00 0.00 N ATOM 767 CA PHE A 50 -0.799 9.331 -11.846 1.00 0.00 C ATOM 768 C PHE A 50 0.434 8.916 -12.641 1.00 0.00 C ATOM 769 O PHE A 50 0.859 9.615 -13.559 1.00 0.00 O ATOM 770 CB PHE A 50 -0.400 10.306 -10.736 1.00 0.00 C ATOM 771 CG PHE A 50 -1.391 10.370 -9.609 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.384 9.412 -8.608 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.329 11.388 -9.550 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.295 9.468 -7.570 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.242 11.449 -8.515 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.225 10.488 -7.523 1.00 0.00 C ATOM 0 H PHE A 50 -1.256 7.993 -10.297 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.495 9.826 -12.523 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.572 10.013 -10.338 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.283 11.302 -11.163 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.659 8.613 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.347 12.143 -10.322 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.280 8.715 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.968 12.247 -8.482 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.937 10.534 -6.712 1.00 0.00 H new ATOM 786 N GLY A 51 1.006 7.770 -12.280 1.00 0.00 N ATOM 787 CA GLY A 51 2.186 7.281 -12.969 1.00 0.00 C ATOM 788 C GLY A 51 2.478 5.827 -12.656 1.00 0.00 C ATOM 789 O GLY A 51 1.854 4.927 -13.219 1.00 0.00 O ATOM 0 H GLY A 51 0.673 7.173 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.050 7.398 -14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.045 7.890 -12.688 1.00 0.00 H new ATOM 793 N GLN A 52 3.430 5.596 -11.758 1.00 0.00 N ATOM 794 CA GLN A 52 3.805 4.241 -11.374 1.00 0.00 C ATOM 795 C GLN A 52 4.374 4.213 -9.959 1.00 0.00 C ATOM 796 O GLN A 52 4.461 5.247 -9.295 1.00 0.00 O ATOM 797 CB GLN A 52 4.829 3.673 -12.359 1.00 0.00 C ATOM 798 CG GLN A 52 4.246 3.358 -13.727 1.00 0.00 C ATOM 799 CD GLN A 52 5.303 2.929 -14.727 1.00 0.00 C ATOM 800 OE1 GLN A 52 5.634 3.670 -15.653 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.838 1.728 -14.544 1.00 0.00 N ATOM 0 H GLN A 52 3.956 6.330 -11.283 1.00 0.00 H new ATOM 0 HA GLN A 52 2.907 3.623 -11.397 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.644 4.388 -12.476 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.260 2.764 -11.939 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.503 2.567 -13.628 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.727 4.237 -14.108 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.533 1.148 -13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.554 1.386 -15.185 1.00 0.00 H new ATOM 810 N ILE A 53 4.760 3.026 -9.505 1.00 0.00 N ATOM 811 CA ILE A 53 5.321 2.865 -8.169 1.00 0.00 C ATOM 812 C ILE A 53 6.715 2.248 -8.229 1.00 0.00 C ATOM 813 O ILE A 53 6.863 1.026 -8.254 1.00 0.00 O ATOM 814 CB ILE A 53 4.420 1.986 -7.282 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.961 2.104 -7.725 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.569 2.381 -5.820 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.410 3.509 -7.626 1.00 0.00 C ATOM 0 H ILE A 53 4.695 2.161 -10.042 1.00 0.00 H new ATOM 0 HA ILE A 53 5.386 3.861 -7.732 1.00 0.00 H new ATOM 0 HB ILE A 53 4.730 0.947 -7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.874 1.760 -8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.350 1.439 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.926 1.751 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.606 2.251 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.281 3.425 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.371 3.517 -7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.464 3.849 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.997 4.175 -8.258 1.00 0.00 H new ATOM 829 N ARG A 54 7.733 3.101 -8.250 1.00 0.00 N ATOM 830 CA ARG A 54 9.115 2.640 -8.306 1.00 0.00 C ATOM 831 C ARG A 54 9.421 1.698 -7.145 1.00 0.00 C ATOM 832 O ARG A 54 10.182 0.741 -7.291 1.00 0.00 O ATOM 833 CB ARG A 54 10.074 3.831 -8.276 1.00 0.00 C ATOM 834 CG ARG A 54 10.383 4.398 -9.652 1.00 0.00 C ATOM 835 CD ARG A 54 9.114 4.639 -10.453 1.00 0.00 C ATOM 836 NE ARG A 54 9.368 4.654 -11.891 1.00 0.00 N ATOM 837 CZ ARG A 54 9.417 3.557 -12.640 1.00 0.00 C ATOM 838 NH1 ARG A 54 9.230 2.366 -12.090 1.00 0.00 N ATOM 839 NH2 ARG A 54 9.653 3.652 -13.942 1.00 0.00 N ATOM 0 H ARG A 54 7.627 4.115 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 54 9.252 2.095 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.644 4.618 -7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.006 3.525 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.931 5.334 -9.546 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.031 3.709 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.386 3.861 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.671 5.589 -10.153 1.00 0.00 H new ATOM 0 HE ARG A 54 9.516 5.555 -12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.048 2.289 -11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.268 1.526 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.797 4.567 -14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.691 2.810 -14.516 1.00 0.00 H new ATOM 853 N LYS A 55 8.824 1.976 -5.990 1.00 0.00 N ATOM 854 CA LYS A 55 9.032 1.155 -4.804 1.00 0.00 C ATOM 855 C LYS A 55 7.936 1.404 -3.772 1.00 0.00 C ATOM 856 O LYS A 55 7.555 2.548 -3.519 1.00 0.00 O ATOM 857 CB LYS A 55 10.402 1.447 -4.189 1.00 0.00 C ATOM 858 CG LYS A 55 10.599 0.825 -2.818 1.00 0.00 C ATOM 859 CD LYS A 55 11.144 -0.590 -2.921 1.00 0.00 C ATOM 860 CE LYS A 55 11.888 -0.994 -1.657 1.00 0.00 C ATOM 861 NZ LYS A 55 12.911 -2.042 -1.927 1.00 0.00 N ATOM 0 H LYS A 55 8.192 2.764 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 55 8.993 0.108 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.178 1.079 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.533 2.526 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.285 1.439 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.649 0.812 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.323 -1.285 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.814 -0.661 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.371 -0.118 -1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.176 -1.363 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.396 -2.290 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.447 -2.888 -2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.605 -1.681 -2.612 1.00 0.00 H new ATOM 875 N LEU A 56 7.434 0.327 -3.177 1.00 0.00 N ATOM 876 CA LEU A 56 6.383 0.429 -2.171 1.00 0.00 C ATOM 877 C LEU A 56 6.757 -0.349 -0.913 1.00 0.00 C ATOM 878 O LEU A 56 7.292 -1.455 -0.990 1.00 0.00 O ATOM 879 CB LEU A 56 5.060 -0.092 -2.732 1.00 0.00 C ATOM 880 CG LEU A 56 3.791 0.439 -2.064 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.311 1.704 -2.759 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.700 -0.622 -2.071 1.00 0.00 C ATOM 0 H LEU A 56 7.738 -0.627 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 56 6.269 1.480 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.017 0.153 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.059 -1.179 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 56 4.025 0.684 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.407 2.067 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.087 2.468 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.095 1.485 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.805 -0.226 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.469 -0.899 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.044 -1.502 -1.527 1.00 0.00 H new ATOM 894 N LEU A 57 6.469 0.236 0.245 1.00 0.00 N ATOM 895 CA LEU A 57 6.772 -0.404 1.521 1.00 0.00 C ATOM 896 C LEU A 57 5.689 -0.103 2.552 1.00 0.00 C ATOM 897 O LEU A 57 5.489 1.049 2.940 1.00 0.00 O ATOM 898 CB LEU A 57 8.131 0.068 2.040 1.00 0.00 C ATOM 899 CG LEU A 57 9.311 -0.100 1.081 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.447 0.835 1.464 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.788 -1.545 1.072 1.00 0.00 C ATOM 0 H LEU A 57 6.027 1.151 0.327 1.00 0.00 H new ATOM 0 HA LEU A 57 6.805 -1.482 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.050 1.122 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.355 -0.474 2.959 1.00 0.00 H new ATOM 0 HG LEU A 57 8.978 0.159 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.278 0.701 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.099 1.867 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.780 0.608 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.628 -1.647 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.104 -1.830 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.974 -2.195 0.749 1.00 0.00 H new ATOM 913 N LEU A 58 4.993 -1.145 2.993 1.00 0.00 N ATOM 914 CA LEU A 58 3.931 -0.993 3.981 1.00 0.00 C ATOM 915 C LEU A 58 4.451 -1.274 5.387 1.00 0.00 C ATOM 916 O LEU A 58 4.808 -2.407 5.713 1.00 0.00 O ATOM 917 CB LEU A 58 2.768 -1.932 3.658 1.00 0.00 C ATOM 918 CG LEU A 58 1.373 -1.426 4.028 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.303 -2.320 3.421 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.216 -1.354 5.540 1.00 0.00 C ATOM 0 H LEU A 58 5.145 -2.104 2.682 1.00 0.00 H new ATOM 0 HA LEU A 58 3.579 0.038 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.784 -2.143 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.938 -2.878 4.172 1.00 0.00 H new ATOM 0 HG LEU A 58 1.252 -0.422 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.683 -1.945 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.402 -2.321 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.422 -3.336 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.218 -0.992 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.358 -2.346 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.960 -0.672 5.951 1.00 0.00 H new ATOM 932 N PHE A 59 4.490 -0.237 6.217 1.00 0.00 N ATOM 933 CA PHE A 59 4.965 -0.373 7.589 1.00 0.00 C ATOM 934 C PHE A 59 3.865 -0.919 8.494 1.00 0.00 C ATOM 935 O PHE A 59 3.433 -0.254 9.435 1.00 0.00 O ATOM 936 CB PHE A 59 5.453 0.977 8.118 1.00 0.00 C ATOM 937 CG PHE A 59 6.497 1.620 7.250 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.359 0.844 6.492 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.617 2.999 7.194 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.321 1.432 5.692 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.577 3.592 6.395 1.00 0.00 C ATOM 942 CZ PHE A 59 8.431 2.808 5.645 1.00 0.00 C ATOM 0 H PHE A 59 4.198 0.707 5.963 1.00 0.00 H new ATOM 0 HA PHE A 59 5.796 -1.078 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.602 1.652 8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.859 0.840 9.120 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.278 -0.232 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.954 3.617 7.781 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.986 0.816 5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.659 4.668 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.183 3.270 5.023 1.00 0.00 H new ATOM 952 N ASP A 60 3.417 -2.135 8.202 1.00 0.00 N ATOM 953 CA ASP A 60 2.367 -2.773 8.989 1.00 0.00 C ATOM 954 C ASP A 60 2.677 -2.686 10.480 1.00 0.00 C ATOM 955 O ASP A 60 1.779 -2.775 11.317 1.00 0.00 O ATOM 956 CB ASP A 60 2.206 -4.236 8.573 1.00 0.00 C ATOM 957 CG ASP A 60 3.461 -5.050 8.822 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.481 -4.788 8.151 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.423 -5.949 9.688 1.00 0.00 O ATOM 0 H ASP A 60 3.764 -2.699 7.426 1.00 0.00 H new ATOM 0 HA ASP A 60 1.433 -2.245 8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.375 -4.678 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.949 -4.284 7.515 1.00 0.00 H new ATOM 964 N ARG A 61 3.954 -2.512 10.804 1.00 0.00 N ATOM 965 CA ARG A 61 4.383 -2.415 12.194 1.00 0.00 C ATOM 966 C ARG A 61 3.711 -1.235 12.890 1.00 0.00 C ATOM 967 O ARG A 61 3.009 -1.407 13.887 1.00 0.00 O ATOM 968 CB ARG A 61 5.904 -2.267 12.272 1.00 0.00 C ATOM 969 CG ARG A 61 6.644 -3.595 12.304 1.00 0.00 C ATOM 970 CD ARG A 61 6.488 -4.351 10.993 1.00 0.00 C ATOM 971 NE ARG A 61 7.565 -5.315 10.786 1.00 0.00 N ATOM 972 CZ ARG A 61 7.848 -5.858 9.607 1.00 0.00 C ATOM 973 NH1 ARG A 61 7.138 -5.533 8.536 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.844 -6.729 9.499 1.00 0.00 N ATOM 0 H ARG A 61 4.709 -2.435 10.123 1.00 0.00 H new ATOM 0 HA ARG A 61 4.087 -3.332 12.703 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.249 -1.689 11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.160 -1.696 13.165 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.702 -3.419 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.265 -4.205 13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.530 -4.871 10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.472 -3.642 10.165 1.00 0.00 H new ATOM 0 HE ARG A 61 8.131 -5.586 11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.372 -4.864 8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.358 -5.952 7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.392 -6.981 10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.061 -7.146 8.594 1.00 0.00 H new ATOM 988 N HIS A 62 3.930 -0.037 12.357 1.00 0.00 N ATOM 989 CA HIS A 62 3.345 1.172 12.927 1.00 0.00 C ATOM 990 C HIS A 62 1.840 1.009 13.117 1.00 0.00 C ATOM 991 O HIS A 62 1.093 0.765 12.170 1.00 0.00 O ATOM 992 CB HIS A 62 3.630 2.374 12.027 1.00 0.00 C ATOM 993 CG HIS A 62 3.808 3.657 12.779 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.763 4.506 13.078 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.919 4.233 13.297 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.223 5.549 13.744 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.528 5.408 13.891 1.00 0.00 N ATOM 0 H HIS A 62 4.508 0.123 11.532 1.00 0.00 H new ATOM 0 HA HIS A 62 3.800 1.342 13.903 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.530 2.176 11.445 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.810 2.489 11.318 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.925 3.841 13.251 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.632 6.377 14.107 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.145 6.065 14.368 1.00 0.00 H new ATOM 1005 N PRO A 63 1.384 1.146 14.371 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.035 1.019 14.715 1.00 0.00 C ATOM 1007 C PRO A 63 -0.868 2.179 14.180 1.00 0.00 C ATOM 1008 O PRO A 63 -2.092 2.192 14.318 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.031 1.024 16.245 1.00 0.00 C ATOM 1010 CG PRO A 63 1.210 1.758 16.618 1.00 0.00 C ATOM 1011 CD PRO A 63 2.218 1.437 15.549 1.00 0.00 C ATOM 0 HA PRO A 63 -0.481 0.125 14.279 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.918 1.518 16.642 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.026 0.010 16.644 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.027 2.831 16.672 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.568 1.446 17.599 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.892 2.274 15.367 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.837 0.583 15.824 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.198 3.150 13.570 1.00 0.00 N ATOM 1020 CA ASP A 64 -0.877 4.314 13.013 1.00 0.00 C ATOM 1021 C ASP A 64 -0.960 4.219 11.492 1.00 0.00 C ATOM 1022 O ASP A 64 -0.998 5.234 10.798 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.150 5.597 13.417 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.084 6.787 13.511 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.097 6.805 12.782 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.802 7.702 14.314 1.00 0.00 O ATOM 0 H ASP A 64 0.815 3.154 13.449 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.890 4.338 13.413 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.339 5.446 14.379 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.634 5.811 12.691 1.00 0.00 H new ATOM 1031 N GLY A 65 -0.987 2.992 10.981 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.063 2.787 9.547 1.00 0.00 C ATOM 1033 C GLY A 65 -0.153 3.724 8.778 1.00 0.00 C ATOM 1034 O GLY A 65 -0.568 4.810 8.373 1.00 0.00 O ATOM 0 H GLY A 65 -0.958 2.136 11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.796 1.756 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.092 2.932 9.216 1.00 0.00 H new ATOM 1038 N VAL A 66 1.092 3.305 8.577 1.00 0.00 N ATOM 1039 CA VAL A 66 2.063 4.115 7.852 1.00 0.00 C ATOM 1040 C VAL A 66 2.626 3.358 6.654 1.00 0.00 C ATOM 1041 O VAL A 66 3.027 2.200 6.771 1.00 0.00 O ATOM 1042 CB VAL A 66 3.227 4.547 8.765 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.276 5.308 7.969 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.711 5.387 9.923 1.00 0.00 C ATOM 0 H VAL A 66 1.452 2.409 8.906 1.00 0.00 H new ATOM 0 HA VAL A 66 1.536 5.003 7.502 1.00 0.00 H new ATOM 0 HB VAL A 66 3.696 3.653 9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.090 5.605 8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.667 4.669 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.824 6.197 7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.546 5.684 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.216 6.277 9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.000 4.803 10.508 1.00 0.00 H new ATOM 1054 N ALA A 67 2.653 4.020 5.502 1.00 0.00 N ATOM 1055 CA ALA A 67 3.169 3.410 4.283 1.00 0.00 C ATOM 1056 C ALA A 67 4.140 4.345 3.570 1.00 0.00 C ATOM 1057 O ALA A 67 4.063 5.565 3.717 1.00 0.00 O ATOM 1058 CB ALA A 67 2.022 3.031 3.357 1.00 0.00 C ATOM 0 H ALA A 67 2.324 4.979 5.387 1.00 0.00 H new ATOM 0 HA ALA A 67 3.713 2.507 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.421 2.576 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.367 2.320 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.455 3.924 3.096 1.00 0.00 H new ATOM 1064 N SER A 68 5.053 3.766 2.798 1.00 0.00 N ATOM 1065 CA SER A 68 6.043 4.547 2.066 1.00 0.00 C ATOM 1066 C SER A 68 5.969 4.253 0.571 1.00 0.00 C ATOM 1067 O SER A 68 6.445 3.218 0.106 1.00 0.00 O ATOM 1068 CB SER A 68 7.449 4.246 2.588 1.00 0.00 C ATOM 1069 OG SER A 68 8.417 5.055 1.942 1.00 0.00 O ATOM 0 H SER A 68 5.128 2.758 2.663 1.00 0.00 H new ATOM 0 HA SER A 68 5.824 5.603 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.486 4.419 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.683 3.194 2.426 1.00 0.00 H new ATOM 0 HG SER A 68 9.307 4.845 2.294 1.00 0.00 H new ATOM 1075 N VAL A 69 5.369 5.173 -0.178 1.00 0.00 N ATOM 1076 CA VAL A 69 5.233 5.015 -1.621 1.00 0.00 C ATOM 1077 C VAL A 69 6.281 5.834 -2.365 1.00 0.00 C ATOM 1078 O VAL A 69 6.186 7.059 -2.443 1.00 0.00 O ATOM 1079 CB VAL A 69 3.832 5.436 -2.102 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.557 4.886 -3.493 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.769 4.972 -1.117 1.00 0.00 C ATOM 0 H VAL A 69 4.969 6.036 0.191 1.00 0.00 H new ATOM 0 HA VAL A 69 5.381 3.957 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 69 3.797 6.524 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.562 5.194 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.301 5.272 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.611 3.798 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.785 5.278 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.802 3.886 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.957 5.419 -0.141 1.00 0.00 H new ATOM 1091 N SER A 70 7.282 5.150 -2.910 1.00 0.00 N ATOM 1092 CA SER A 70 8.351 5.814 -3.646 1.00 0.00 C ATOM 1093 C SER A 70 7.900 6.166 -5.060 1.00 0.00 C ATOM 1094 O SER A 70 7.119 5.439 -5.674 1.00 0.00 O ATOM 1095 CB SER A 70 9.592 4.921 -3.701 1.00 0.00 C ATOM 1096 OG SER A 70 9.829 4.299 -2.450 1.00 0.00 O ATOM 0 H SER A 70 7.375 4.136 -2.856 1.00 0.00 H new ATOM 0 HA SER A 70 8.600 6.737 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.462 4.160 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.460 5.516 -3.985 1.00 0.00 H new ATOM 0 HG SER A 70 9.224 3.535 -2.345 1.00 0.00 H new ATOM 1102 N PHE A 71 8.398 7.287 -5.571 1.00 0.00 N ATOM 1103 CA PHE A 71 8.046 7.738 -6.913 1.00 0.00 C ATOM 1104 C PHE A 71 9.298 7.974 -7.753 1.00 0.00 C ATOM 1105 O PHE A 71 10.420 7.878 -7.255 1.00 0.00 O ATOM 1106 CB PHE A 71 7.217 9.022 -6.842 1.00 0.00 C ATOM 1107 CG PHE A 71 5.818 8.804 -6.341 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.576 8.580 -4.996 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.744 8.825 -7.217 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.289 8.379 -4.533 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.455 8.624 -6.760 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.227 8.402 -5.416 1.00 0.00 C ATOM 0 H PHE A 71 9.046 7.900 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 71 7.453 6.957 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.721 9.735 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.173 9.472 -7.834 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.402 8.562 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.916 9.000 -8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.114 8.204 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.627 8.641 -7.453 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.221 8.247 -5.056 1.00 0.00 H new ATOM 1122 N ARG A 72 9.097 8.282 -9.030 1.00 0.00 N ATOM 1123 CA ARG A 72 10.209 8.530 -9.940 1.00 0.00 C ATOM 1124 C ARG A 72 10.318 10.015 -10.273 1.00 0.00 C ATOM 1125 O ARG A 72 11.415 10.573 -10.318 1.00 0.00 O ATOM 1126 CB ARG A 72 10.034 7.720 -11.226 1.00 0.00 C ATOM 1127 CG ARG A 72 10.959 8.154 -12.350 1.00 0.00 C ATOM 1128 CD ARG A 72 12.361 7.594 -12.167 1.00 0.00 C ATOM 1129 NE ARG A 72 13.041 7.393 -13.443 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.699 8.352 -14.084 1.00 0.00 C ATOM 1131 NH1 ARG A 72 13.765 9.573 -13.571 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.293 8.091 -15.242 1.00 0.00 N ATOM 0 H ARG A 72 8.175 8.366 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 72 11.128 8.218 -9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.210 6.667 -11.008 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.001 7.808 -11.563 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.554 7.819 -13.305 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.003 9.243 -12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.945 8.275 -11.548 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.306 6.646 -11.632 1.00 0.00 H new ATOM 0 HE ARG A 72 13.009 6.465 -13.865 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.310 9.778 -12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.271 10.307 -14.066 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.244 7.153 -15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.798 8.828 -15.734 1.00 0.00 H new ATOM 1146 N ASP A 73 9.174 10.649 -10.507 1.00 0.00 N ATOM 1147 CA ASP A 73 9.141 12.070 -10.836 1.00 0.00 C ATOM 1148 C ASP A 73 8.500 12.873 -9.708 1.00 0.00 C ATOM 1149 O ASP A 73 7.536 12.441 -9.075 1.00 0.00 O ATOM 1150 CB ASP A 73 8.374 12.295 -12.139 1.00 0.00 C ATOM 1151 CG ASP A 73 6.991 11.674 -12.113 1.00 0.00 C ATOM 1152 OD1 ASP A 73 6.899 10.435 -11.986 1.00 0.00 O ATOM 1153 OD2 ASP A 73 6.001 12.427 -12.218 1.00 0.00 O ATOM 0 H ASP A 73 8.258 10.202 -10.475 1.00 0.00 H new ATOM 0 HA ASP A 73 10.168 12.413 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.285 13.365 -12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.942 11.874 -12.969 1.00 0.00 H new ATOM 1158 N PRO A 74 9.046 14.071 -9.450 1.00 0.00 N ATOM 1159 CA PRO A 74 8.544 14.960 -8.398 1.00 0.00 C ATOM 1160 C PRO A 74 7.179 15.547 -8.738 1.00 0.00 C ATOM 1161 O PRO A 74 6.432 15.958 -7.851 1.00 0.00 O ATOM 1162 CB PRO A 74 9.601 16.065 -8.333 1.00 0.00 C ATOM 1163 CG PRO A 74 10.222 16.075 -9.687 1.00 0.00 C ATOM 1164 CD PRO A 74 10.196 14.649 -10.165 1.00 0.00 C ATOM 0 HA PRO A 74 8.399 14.434 -7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.152 17.029 -8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.341 15.860 -7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.668 16.724 -10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.243 16.454 -9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.068 14.590 -11.246 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.122 14.127 -9.924 1.00 0.00 H new ATOM 1172 N GLU A 75 6.860 15.583 -10.028 1.00 0.00 N ATOM 1173 CA GLU A 75 5.584 16.121 -10.484 1.00 0.00 C ATOM 1174 C GLU A 75 4.422 15.273 -9.974 1.00 0.00 C ATOM 1175 O GLU A 75 3.569 15.755 -9.229 1.00 0.00 O ATOM 1176 CB GLU A 75 5.549 16.186 -12.013 1.00 0.00 C ATOM 1177 CG GLU A 75 6.018 17.516 -12.576 1.00 0.00 C ATOM 1178 CD GLU A 75 4.881 18.499 -12.776 1.00 0.00 C ATOM 1179 OE1 GLU A 75 4.293 18.939 -11.766 1.00 0.00 O ATOM 1180 OE2 GLU A 75 4.578 18.828 -13.942 1.00 0.00 O ATOM 0 H GLU A 75 7.467 15.246 -10.775 1.00 0.00 H new ATOM 0 HA GLU A 75 5.480 17.129 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.174 15.389 -12.417 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.531 15.996 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.755 17.952 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.518 17.346 -13.529 1.00 0.00 H new ATOM 1187 N GLU A 76 4.397 14.008 -10.381 1.00 0.00 N ATOM 1188 CA GLU A 76 3.340 13.093 -9.966 1.00 0.00 C ATOM 1189 C GLU A 76 3.133 13.150 -8.455 1.00 0.00 C ATOM 1190 O GLU A 76 2.104 13.626 -7.977 1.00 0.00 O ATOM 1191 CB GLU A 76 3.676 11.663 -10.392 1.00 0.00 C ATOM 1192 CG GLU A 76 3.154 11.300 -11.772 1.00 0.00 C ATOM 1193 CD GLU A 76 3.451 12.367 -12.808 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.060 13.533 -12.588 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.075 12.036 -13.838 1.00 0.00 O ATOM 0 H GLU A 76 5.096 13.593 -10.997 1.00 0.00 H new ATOM 0 HA GLU A 76 2.416 13.402 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.758 11.533 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.261 10.968 -9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.600 10.357 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.077 11.141 -11.719 1.00 0.00 H new ATOM 1202 N ALA A 77 4.118 12.661 -7.710 1.00 0.00 N ATOM 1203 CA ALA A 77 4.046 12.657 -6.255 1.00 0.00 C ATOM 1204 C ALA A 77 3.523 13.989 -5.727 1.00 0.00 C ATOM 1205 O ALA A 77 2.477 14.043 -5.080 1.00 0.00 O ATOM 1206 CB ALA A 77 5.413 12.352 -5.659 1.00 0.00 C ATOM 0 H ALA A 77 4.976 12.262 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 77 3.348 11.876 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.344 12.352 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.749 11.373 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.127 13.112 -5.977 1.00 0.00 H new ATOM 1212 N ASP A 78 4.256 15.060 -6.008 1.00 0.00 N ATOM 1213 CA ASP A 78 3.865 16.393 -5.562 1.00 0.00 C ATOM 1214 C ASP A 78 2.371 16.618 -5.768 1.00 0.00 C ATOM 1215 O ASP A 78 1.732 17.349 -5.010 1.00 0.00 O ATOM 1216 CB ASP A 78 4.663 17.459 -6.314 1.00 0.00 C ATOM 1217 CG ASP A 78 4.083 18.849 -6.135 1.00 0.00 C ATOM 1218 OD1 ASP A 78 2.965 19.095 -6.634 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.748 19.690 -5.494 1.00 0.00 O ATOM 0 H ASP A 78 5.124 15.032 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 78 4.082 16.472 -4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.695 17.451 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.685 17.211 -7.375 1.00 0.00 H new ATOM 1224 N TYR A 79 1.819 15.986 -6.799 1.00 0.00 N ATOM 1225 CA TYR A 79 0.400 16.121 -7.107 1.00 0.00 C ATOM 1226 C TYR A 79 -0.399 14.969 -6.505 1.00 0.00 C ATOM 1227 O TYR A 79 -1.609 15.079 -6.299 1.00 0.00 O ATOM 1228 CB TYR A 79 0.188 16.167 -8.621 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.264 16.071 -9.032 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.267 16.630 -8.249 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.634 15.419 -10.202 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.595 16.544 -8.620 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.959 15.329 -10.582 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.935 15.893 -9.787 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.257 15.804 -10.161 1.00 0.00 O ATOM 0 H TYR A 79 2.333 15.376 -7.435 1.00 0.00 H new ATOM 0 HA TYR A 79 0.045 17.054 -6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.606 17.095 -9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.742 15.350 -9.082 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.004 17.141 -7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.872 14.975 -10.825 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.362 16.984 -8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.229 14.820 -11.496 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.325 15.315 -11.008 1.00 0.00 H new ATOM 1245 N CYS A 80 0.285 13.865 -6.225 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.360 12.691 -5.647 1.00 0.00 C ATOM 1247 C CYS A 80 -0.552 12.862 -4.144 1.00 0.00 C ATOM 1248 O CYS A 80 -1.439 12.250 -3.548 1.00 0.00 O ATOM 1249 CB CYS A 80 0.469 11.438 -5.929 1.00 0.00 C ATOM 1250 SG CYS A 80 0.812 11.157 -7.682 1.00 0.00 S ATOM 0 H CYS A 80 1.286 13.758 -6.389 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.341 12.580 -6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.415 11.513 -5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.056 10.571 -5.529 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.142 10.443 -8.202 1.00 0.00 H new ATOM 1256 N ILE A 81 0.286 13.696 -3.536 1.00 0.00 N ATOM 1257 CA ILE A 81 0.208 13.946 -2.103 1.00 0.00 C ATOM 1258 C ILE A 81 -0.987 14.829 -1.762 1.00 0.00 C ATOM 1259 O ILE A 81 -1.500 14.793 -0.644 1.00 0.00 O ATOM 1260 CB ILE A 81 1.492 14.614 -1.577 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.486 16.109 -1.906 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.721 13.941 -2.171 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.720 16.944 -0.904 1.00 0.00 C ATOM 0 H ILE A 81 1.026 14.209 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 81 0.089 12.976 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 81 1.527 14.499 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.515 16.466 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.052 16.254 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.621 14.424 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.729 12.887 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.695 14.029 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.758 17.992 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.318 16.613 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.168 16.829 0.083 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.427 15.620 -2.736 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.564 16.512 -2.539 1.00 0.00 C ATOM 1277 C GLN A 82 -3.869 15.823 -2.923 1.00 0.00 C ATOM 1278 O GLN A 82 -4.944 16.201 -2.455 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.386 17.789 -3.363 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.862 17.538 -4.768 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.840 18.794 -5.616 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.821 19.122 -6.285 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.719 19.505 -5.593 1.00 0.00 N ATOM 0 H GLN A 82 -1.014 15.661 -3.668 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.610 16.773 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.343 18.306 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.699 18.455 -2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.854 17.127 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.484 16.787 -5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.069 19.196 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.646 20.360 -6.144 1.00 0.00 H new ATOM 1292 N THR A 83 -3.769 14.810 -3.778 1.00 0.00 N ATOM 1293 CA THR A 83 -4.942 14.069 -4.225 1.00 0.00 C ATOM 1294 C THR A 83 -5.143 12.805 -3.397 1.00 0.00 C ATOM 1295 O THR A 83 -6.248 12.266 -3.327 1.00 0.00 O ATOM 1296 CB THR A 83 -4.828 13.683 -5.712 1.00 0.00 C ATOM 1297 OG1 THR A 83 -5.070 14.829 -6.536 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.818 12.582 -6.062 1.00 0.00 C ATOM 0 H THR A 83 -2.888 14.484 -4.175 1.00 0.00 H new ATOM 0 HA THR A 83 -5.801 14.726 -4.092 1.00 0.00 H new ATOM 0 HB THR A 83 -3.819 13.313 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.269 15.026 -7.065 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.719 12.326 -7.117 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.612 11.701 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.833 12.929 -5.866 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.069 12.337 -2.771 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.128 11.136 -1.946 1.00 0.00 C ATOM 1308 C LEU A 84 -4.359 11.492 -0.481 1.00 0.00 C ATOM 1309 O LEU A 84 -4.569 10.614 0.356 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.835 10.331 -2.089 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.568 9.730 -3.469 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.179 9.111 -3.522 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.628 8.694 -3.814 1.00 0.00 C ATOM 0 H LEU A 84 -3.147 12.771 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.966 10.530 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.997 10.978 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.852 9.521 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.616 10.530 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.007 8.688 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.431 9.878 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.103 8.323 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.422 8.277 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.612 7.896 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.610 9.166 -3.818 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.321 12.785 -0.179 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.530 13.258 1.185 1.00 0.00 C ATOM 1327 C ASP A 85 -5.991 13.105 1.596 1.00 0.00 C ATOM 1328 O ASP A 85 -6.350 13.338 2.749 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.103 14.721 1.311 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.232 15.683 0.997 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.979 15.426 0.030 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.368 16.692 1.719 1.00 0.00 O ATOM 0 H ASP A 85 -4.147 13.524 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.918 12.650 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.743 14.906 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.268 14.912 0.636 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.831 12.712 0.642 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.243 12.536 0.924 1.00 0.00 C ATOM 1339 C GLY A 86 -8.728 11.136 0.603 1.00 0.00 C ATOM 1340 O GLY A 86 -9.907 10.826 0.774 1.00 0.00 O ATOM 0 H GLY A 86 -6.558 12.513 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.430 12.749 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.819 13.258 0.345 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.817 10.289 0.135 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.160 8.915 -0.213 1.00 0.00 C ATOM 1346 C ARG A 87 -8.777 8.189 0.979 1.00 0.00 C ATOM 1347 O ARG A 87 -8.632 8.620 2.123 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.917 8.163 -0.694 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.442 8.590 -2.073 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.063 7.733 -3.165 1.00 0.00 C ATOM 1351 NE ARG A 87 -7.015 8.390 -4.469 1.00 0.00 N ATOM 1352 CZ ARG A 87 -7.782 8.040 -5.496 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.652 7.047 -5.371 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -7.681 8.686 -6.651 1.00 0.00 N ATOM 0 H ARG A 87 -6.837 10.530 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.894 8.943 -1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.110 8.317 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.132 7.094 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.698 9.636 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.356 8.516 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.538 6.779 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.099 7.513 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.357 9.159 -4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.734 6.549 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.239 6.781 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.014 9.452 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.270 8.417 -7.439 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.465 7.088 0.702 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.105 6.303 1.752 1.00 0.00 C ATOM 1370 C TRP A 88 -9.629 4.855 1.715 1.00 0.00 C ATOM 1371 O TRP A 88 -9.735 4.182 0.690 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.626 6.356 1.602 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.208 7.700 1.923 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.129 8.830 1.161 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.954 8.053 3.092 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.782 9.865 1.786 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.298 9.414 2.972 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.368 7.352 4.228 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.034 10.084 3.945 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.099 8.019 5.193 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.426 9.373 5.047 1.00 0.00 C ATOM 0 H TRP A 88 -9.594 6.718 -0.240 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.827 6.734 2.714 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.893 6.087 0.580 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.075 5.608 2.256 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.627 8.900 0.207 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.868 10.815 1.425 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.121 6.308 4.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.287 11.128 3.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.424 7.487 6.075 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.999 9.866 5.819 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.104 4.380 2.840 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.611 3.011 2.936 1.00 0.00 C ATOM 1394 C PHE A 89 -9.302 2.262 4.071 1.00 0.00 C ATOM 1395 O PHE A 89 -9.519 2.811 5.151 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.096 3.006 3.155 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.306 3.097 1.881 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.542 4.119 0.975 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.327 2.161 1.589 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.817 4.204 -0.198 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.599 2.241 0.417 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.843 3.265 -0.477 1.00 0.00 C ATOM 0 H PHE A 89 -9.009 4.923 3.698 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.838 2.504 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.827 3.842 3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.816 2.094 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.301 4.857 1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.130 1.359 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.012 5.004 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.840 1.504 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.274 3.331 -1.392 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.648 1.003 3.818 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.312 0.199 4.827 1.00 0.00 C ATOM 1414 C GLY A 90 -11.664 0.762 5.220 1.00 0.00 C ATOM 1415 O GLY A 90 -12.316 0.252 6.130 1.00 0.00 O ATOM 0 H GLY A 90 -9.480 0.526 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.440 -0.816 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.678 0.135 5.711 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.086 1.819 4.532 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.365 2.435 4.831 1.00 0.00 C ATOM 1421 C GLY A 91 -13.216 3.825 5.418 1.00 0.00 C ATOM 1422 O GLY A 91 -14.170 4.603 5.437 1.00 0.00 O ATOM 0 H GLY A 91 -11.565 2.259 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.960 2.491 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.913 1.805 5.531 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.018 4.137 5.900 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.749 5.441 6.493 1.00 0.00 C ATOM 1428 C ARG A 92 -10.879 6.289 5.570 1.00 0.00 C ATOM 1429 O ARG A 92 -10.283 5.779 4.622 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.061 5.276 7.850 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.737 4.533 7.775 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.272 4.085 9.152 1.00 0.00 C ATOM 1433 NE ARG A 92 -9.785 2.762 9.499 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.759 2.264 10.730 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -9.248 2.974 11.726 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -10.245 1.052 10.967 1.00 0.00 N ATOM 0 H ARG A 92 -11.218 3.504 5.892 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.702 5.951 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.891 6.261 8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.730 4.742 8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.842 3.665 7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.981 5.178 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.182 4.070 9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.600 4.808 9.899 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.185 2.190 8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.873 3.906 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.230 2.588 12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.639 0.502 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.225 0.670 11.913 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.811 7.586 5.856 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.015 8.504 5.050 1.00 0.00 C ATOM 1452 C GLN A 93 -8.548 8.461 5.465 1.00 0.00 C ATOM 1453 O GLN A 93 -8.218 8.022 6.567 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.553 9.930 5.183 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.352 10.774 3.935 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.401 12.262 4.223 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.475 12.680 5.379 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.361 13.071 3.170 1.00 0.00 N ATOM 0 H GLN A 93 -11.297 8.024 6.639 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.088 8.191 4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.617 9.888 5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.062 10.418 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.391 10.526 3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.121 10.524 3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.300 12.681 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.392 14.082 3.302 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.673 8.917 4.575 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.242 8.931 4.850 1.00 0.00 C ATOM 1469 C ILE A 94 -5.606 10.237 4.387 1.00 0.00 C ATOM 1470 O ILE A 94 -6.181 10.971 3.583 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.525 7.753 4.164 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.581 7.910 2.643 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.151 6.433 4.589 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.704 6.925 1.901 1.00 0.00 C ATOM 0 H ILE A 94 -7.930 9.281 3.658 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.128 8.836 5.930 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.479 7.753 4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.612 7.788 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.279 8.924 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.634 5.610 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.065 6.321 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.204 6.422 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.794 7.095 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.666 7.062 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.020 5.908 2.135 1.00 0.00 H new ATOM 1486 N THR A 95 -4.412 10.522 4.899 1.00 0.00 N ATOM 1487 CA THR A 95 -3.696 11.740 4.538 1.00 0.00 C ATOM 1488 C THR A 95 -2.400 11.418 3.804 1.00 0.00 C ATOM 1489 O THR A 95 -1.828 10.342 3.978 1.00 0.00 O ATOM 1490 CB THR A 95 -3.372 12.590 5.781 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.794 13.838 5.383 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.415 11.854 6.706 1.00 0.00 C ATOM 0 H THR A 95 -3.921 9.926 5.565 1.00 0.00 H new ATOM 0 HA THR A 95 -4.352 12.309 3.879 1.00 0.00 H new ATOM 0 HB THR A 95 -4.301 12.775 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.592 14.374 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.201 12.474 7.576 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.870 10.918 7.030 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.487 11.642 6.175 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.941 12.357 2.984 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.709 12.174 2.226 1.00 0.00 C ATOM 1502 C ALA A 96 0.226 13.366 2.402 1.00 0.00 C ATOM 1503 O ALA A 96 -0.221 14.485 2.653 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.024 11.961 0.752 1.00 0.00 C ATOM 0 H ALA A 96 -2.404 13.252 2.827 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.203 11.289 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.095 11.826 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.648 11.074 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.555 12.830 0.364 1.00 0.00 H new ATOM 1510 N GLN A 97 1.525 13.117 2.269 1.00 0.00 N ATOM 1511 CA GLN A 97 2.522 14.171 2.414 1.00 0.00 C ATOM 1512 C GLN A 97 3.885 13.704 1.912 1.00 0.00 C ATOM 1513 O GLN A 97 4.133 12.505 1.788 1.00 0.00 O ATOM 1514 CB GLN A 97 2.626 14.605 3.878 1.00 0.00 C ATOM 1515 CG GLN A 97 2.758 13.443 4.849 1.00 0.00 C ATOM 1516 CD GLN A 97 1.417 12.957 5.363 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.769 12.088 4.596 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.969 13.357 6.437 1.00 0.00 N flip ATOM 0 H GLN A 97 1.911 12.196 2.061 1.00 0.00 H new ATOM 0 HA GLN A 97 2.205 15.022 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.487 15.263 3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.742 15.187 4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.274 12.619 4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.377 13.748 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.501 14.025 6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.066 13.020 6.770 1.00 0.00 H new ATOM 1527 N ALA A 98 4.763 14.658 1.625 1.00 0.00 N ATOM 1528 CA ALA A 98 6.101 14.345 1.139 1.00 0.00 C ATOM 1529 C ALA A 98 7.057 14.074 2.295 1.00 0.00 C ATOM 1530 O ALA A 98 7.057 14.794 3.294 1.00 0.00 O ATOM 1531 CB ALA A 98 6.627 15.479 0.272 1.00 0.00 C ATOM 0 H ALA A 98 4.572 15.655 1.721 1.00 0.00 H new ATOM 0 HA ALA A 98 6.037 13.440 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.627 15.231 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.964 15.623 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.668 16.397 0.859 1.00 0.00 H new ATOM 1537 N TRP A 99 7.868 13.032 2.154 1.00 0.00 N ATOM 1538 CA TRP A 99 8.829 12.666 3.189 1.00 0.00 C ATOM 1539 C TRP A 99 10.158 13.381 2.975 1.00 0.00 C ATOM 1540 O TRP A 99 10.510 13.733 1.849 1.00 0.00 O ATOM 1541 CB TRP A 99 9.046 11.152 3.199 1.00 0.00 C ATOM 1542 CG TRP A 99 9.861 10.677 4.364 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.732 11.064 5.667 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.933 9.727 4.329 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.659 10.412 6.445 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.407 9.586 5.648 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.536 8.982 3.313 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.456 8.731 5.974 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.577 8.133 3.638 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.028 8.013 4.959 1.00 0.00 C ATOM 0 H TRP A 99 7.880 12.426 1.334 1.00 0.00 H new ATOM 0 HA TRP A 99 8.423 12.974 4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.077 10.653 3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.541 10.857 2.274 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.008 11.777 6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.772 10.525 7.452 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.195 9.068 2.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.806 8.638 6.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.051 7.552 2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.843 7.340 5.181 1.00 0.00 H new ATOM 1561 N ASP A 100 10.892 13.593 4.062 1.00 0.00 N ATOM 1562 CA ASP A 100 12.184 14.266 3.993 1.00 0.00 C ATOM 1563 C ASP A 100 13.320 13.292 4.289 1.00 0.00 C ATOM 1564 O ASP A 100 14.166 13.031 3.435 1.00 0.00 O ATOM 1565 CB ASP A 100 12.228 15.435 4.978 1.00 0.00 C ATOM 1566 CG ASP A 100 11.000 16.319 4.882 1.00 0.00 C ATOM 1567 OD1 ASP A 100 10.986 17.224 4.022 1.00 0.00 O ATOM 1568 OD2 ASP A 100 10.052 16.106 5.668 1.00 0.00 O ATOM 0 H ASP A 100 10.614 13.309 5.001 1.00 0.00 H new ATOM 0 HA ASP A 100 12.312 14.650 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.315 15.048 5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.119 16.034 4.788 1.00 0.00 H new ATOM 1573 N GLY A 101 13.334 12.759 5.507 1.00 0.00 N ATOM 1574 CA GLY A 101 14.371 11.821 5.895 1.00 0.00 C ATOM 1575 C GLY A 101 14.741 11.939 7.360 1.00 0.00 C ATOM 1576 O GLY A 101 15.911 12.114 7.702 1.00 0.00 O ATOM 0 H GLY A 101 12.645 12.960 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.033 10.805 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.258 11.992 5.285 1.00 0.00 H new ATOM 1580 N THR A 102 13.740 11.844 8.231 1.00 0.00 N ATOM 1581 CA THR A 102 13.965 11.944 9.667 1.00 0.00 C ATOM 1582 C THR A 102 13.297 10.792 10.410 1.00 0.00 C ATOM 1583 O THR A 102 13.864 10.231 11.348 1.00 0.00 O ATOM 1584 CB THR A 102 13.435 13.277 10.227 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.392 13.225 11.658 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.047 13.579 9.683 1.00 0.00 C ATOM 0 H THR A 102 12.766 11.698 7.966 1.00 0.00 H new ATOM 0 HA THR A 102 15.043 11.896 9.822 1.00 0.00 H new ATOM 0 HB THR A 102 14.111 14.072 9.913 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.055 14.077 12.006 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.694 14.525 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.089 13.647 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.362 12.781 9.970 1.00 0.00 H new ATOM 1594 N THR A 103 12.087 10.442 9.984 1.00 0.00 N ATOM 1595 CA THR A 103 11.341 9.358 10.609 1.00 0.00 C ATOM 1596 C THR A 103 12.147 8.064 10.608 1.00 0.00 C ATOM 1597 O THR A 103 12.974 7.838 9.725 1.00 0.00 O ATOM 1598 CB THR A 103 9.999 9.114 9.894 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.107 8.398 10.755 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.206 8.330 8.606 1.00 0.00 C ATOM 0 H THR A 103 11.603 10.894 9.208 1.00 0.00 H new ATOM 0 HA THR A 103 11.146 9.661 11.638 1.00 0.00 H new ATOM 0 HB THR A 103 9.565 10.082 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.680 7.673 10.253 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.244 8.170 8.119 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.861 8.891 7.940 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.661 7.367 8.836 1.00 0.00 H new ATOM 1608 N ASP A 104 11.900 7.217 11.601 1.00 0.00 N ATOM 1609 CA ASP A 104 12.602 5.944 11.713 1.00 0.00 C ATOM 1610 C ASP A 104 11.662 4.778 11.424 1.00 0.00 C ATOM 1611 O ASP A 104 11.854 3.672 11.929 1.00 0.00 O ATOM 1612 CB ASP A 104 13.207 5.793 13.110 1.00 0.00 C ATOM 1613 CG ASP A 104 14.336 6.773 13.361 1.00 0.00 C ATOM 1614 OD1 ASP A 104 15.245 6.862 12.509 1.00 0.00 O ATOM 1615 OD2 ASP A 104 14.310 7.452 14.409 1.00 0.00 O ATOM 0 H ASP A 104 11.219 7.389 12.340 1.00 0.00 H new ATOM 0 HA ASP A 104 13.404 5.933 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.428 5.941 13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.578 4.776 13.234 1.00 0.00 H new ATOM 1620 N TYR A 105 10.645 5.033 10.608 1.00 0.00 N ATOM 1621 CA TYR A 105 9.673 4.006 10.254 1.00 0.00 C ATOM 1622 C TYR A 105 10.370 2.746 9.752 1.00 0.00 C ATOM 1623 O TYR A 105 10.236 1.673 10.340 1.00 0.00 O ATOM 1624 CB TYR A 105 8.711 4.530 9.186 1.00 0.00 C ATOM 1625 CG TYR A 105 7.921 5.742 9.626 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.433 5.844 10.923 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.660 6.783 8.744 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.710 6.949 11.329 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.939 7.892 9.142 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.466 7.971 10.435 1.00 0.00 C ATOM 1631 OH TYR A 105 5.746 9.073 10.835 1.00 0.00 O ATOM 0 H TYR A 105 10.473 5.942 10.179 1.00 0.00 H new ATOM 0 HA TYR A 105 9.107 3.754 11.151 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.278 4.782 8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.018 3.735 8.911 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.622 5.046 11.626 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.027 6.724 7.730 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.338 7.012 12.341 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.747 8.693 8.444 1.00 0.00 H new ATOM 0 HH TYR A 105 5.665 9.700 10.086 1.00 0.00 H new ATOM 1641 N GLN A 106 11.116 2.885 8.660 1.00 0.00 N ATOM 1642 CA GLN A 106 11.835 1.759 8.077 1.00 0.00 C ATOM 1643 C GLN A 106 13.327 1.850 8.381 1.00 0.00 C ATOM 1644 O GLN A 106 13.994 0.834 8.574 1.00 0.00 O ATOM 1645 CB GLN A 106 11.612 1.711 6.565 1.00 0.00 C ATOM 1646 CG GLN A 106 12.360 2.794 5.805 1.00 0.00 C ATOM 1647 CD GLN A 106 13.769 2.378 5.431 1.00 0.00 C ATOM 1648 OE1 GLN A 106 14.740 3.051 5.776 1.00 0.00 O ATOM 1649 NE2 GLN A 106 13.888 1.262 4.721 1.00 0.00 N ATOM 0 H GLN A 106 11.238 3.767 8.162 1.00 0.00 H new ATOM 0 HA GLN A 106 11.447 0.843 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.923 0.736 6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.546 1.806 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.807 3.045 4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.402 3.697 6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.056 0.735 4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.811 0.932 4.440 1.00 0.00 H new ATOM 1658 N SER A 107 13.844 3.074 8.419 1.00 0.00 N ATOM 1659 CA SER A 107 15.259 3.298 8.695 1.00 0.00 C ATOM 1660 C SER A 107 15.652 2.696 10.040 1.00 0.00 C ATOM 1661 O SER A 107 14.957 2.874 11.040 1.00 0.00 O ATOM 1662 CB SER A 107 15.572 4.795 8.682 1.00 0.00 C ATOM 1663 OG SER A 107 16.964 5.026 8.806 1.00 0.00 O ATOM 0 H SER A 107 13.305 3.926 8.262 1.00 0.00 H new ATOM 0 HA SER A 107 15.839 2.806 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 107 15.208 5.238 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.044 5.287 9.499 1.00 0.00 H new ATOM 0 HG SER A 107 17.138 5.990 8.793 1.00 0.00 H new ATOM 1669 N GLY A 108 16.773 1.981 10.057 1.00 0.00 N ATOM 1670 CA GLY A 108 17.241 1.363 11.283 1.00 0.00 C ATOM 1671 C GLY A 108 17.360 2.354 12.424 1.00 0.00 C ATOM 1672 O GLY A 108 17.577 3.548 12.216 1.00 0.00 O ATOM 0 H GLY A 108 17.365 1.819 9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.555 0.565 11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.212 0.900 11.105 1.00 0.00 H new ATOM 1676 N PRO A 109 17.215 1.859 13.662 1.00 0.00 N ATOM 1677 CA PRO A 109 17.303 2.693 14.864 1.00 0.00 C ATOM 1678 C PRO A 109 18.721 3.189 15.123 1.00 0.00 C ATOM 1679 O PRO A 109 19.685 2.432 15.007 1.00 0.00 O ATOM 1680 CB PRO A 109 16.853 1.751 15.983 1.00 0.00 C ATOM 1681 CG PRO A 109 17.155 0.385 15.472 1.00 0.00 C ATOM 1682 CD PRO A 109 16.955 0.446 13.983 1.00 0.00 C ATOM 0 HA PRO A 109 16.698 3.596 14.779 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.388 1.954 16.911 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.790 1.868 16.196 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.176 0.094 15.717 1.00 0.00 H new ATOM 0 HG3 PRO A 109 16.495 -0.355 15.924 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.641 -0.218 13.458 1.00 0.00 H new ATOM 0 HD3 PRO A 109 15.945 0.149 13.701 1.00 0.00 H new ATOM 1690 N SER A 110 18.842 4.466 15.474 1.00 0.00 N ATOM 1691 CA SER A 110 20.144 5.064 15.746 1.00 0.00 C ATOM 1692 C SER A 110 20.807 4.398 16.948 1.00 0.00 C ATOM 1693 O SER A 110 20.130 3.927 17.862 1.00 0.00 O ATOM 1694 CB SER A 110 19.997 6.566 15.997 1.00 0.00 C ATOM 1695 OG SER A 110 21.222 7.242 15.777 1.00 0.00 O ATOM 0 H SER A 110 18.054 5.106 15.577 1.00 0.00 H new ATOM 0 HA SER A 110 20.777 4.910 14.872 1.00 0.00 H new ATOM 0 HB2 SER A 110 19.230 6.974 15.339 1.00 0.00 H new ATOM 0 HB3 SER A 110 19.663 6.736 17.021 1.00 0.00 H new ATOM 0 HG SER A 110 21.101 8.200 15.942 1.00 0.00 H new ATOM 1701 N SER A 111 22.135 4.363 16.939 1.00 0.00 N ATOM 1702 CA SER A 111 22.891 3.752 18.026 1.00 0.00 C ATOM 1703 C SER A 111 24.046 4.651 18.457 1.00 0.00 C ATOM 1704 O SER A 111 25.118 4.637 17.853 1.00 0.00 O ATOM 1705 CB SER A 111 23.427 2.385 17.598 1.00 0.00 C ATOM 1706 OG SER A 111 24.117 1.752 18.661 1.00 0.00 O ATOM 0 H SER A 111 22.710 4.751 16.191 1.00 0.00 H new ATOM 0 HA SER A 111 22.219 3.621 18.874 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.601 1.754 17.269 1.00 0.00 H new ATOM 0 HB3 SER A 111 24.096 2.504 16.746 1.00 0.00 H new ATOM 0 HG SER A 111 24.448 0.879 18.362 1.00 0.00 H new ATOM 1712 N GLY A 112 23.819 5.434 19.508 1.00 0.00 N ATOM 1713 CA GLY A 112 24.849 6.329 20.003 1.00 0.00 C ATOM 1714 C GLY A 112 24.778 6.519 21.505 1.00 0.00 C ATOM 1715 O GLY A 112 23.692 6.552 22.083 1.00 0.00 O ATOM 0 H GLY A 112 22.940 5.464 20.025 1.00 0.00 H new ATOM 0 HA2 GLY A 112 25.829 5.934 19.736 1.00 0.00 H new ATOM 0 HA3 GLY A 112 24.751 7.297 19.512 1.00 0.00 H new TER 1719 GLY A 112