USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 901 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 8 GLN : amide:sc= -0.806 X(o=-0.81,f=-1.3) USER MOD Single : A 10 SER OG : rot -170:sc= -1.61! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.037 K(o=-0.037,f=-1.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 131:sc= 1.11 USER MOD Single : A 25 CYS SG : rot -124:sc= -0.664 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -110:sc= 1.02 USER MOD Single : A 30 THR OG1 : rot 121:sc= -6! USER MOD Single : A 37 HIS : no HE2:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 41 GLN : amide:sc= -1.75 X(o=-1.8,f=-1.8) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0555 X(o=-0.055,f=-0.055) USER MOD Single : A 46 ASN : amide:sc= -0.669 K(o=-0.67,f=-2.1!) USER MOD Single : A 48 CYS SG : rot -25:sc= -1.36 USER MOD Single : A 53 SER OG : rot -130:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.279 K(o=-0.28,f=-8.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 0:sc= -2.29 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -156:sc= 0 (180deg=-0.0206) USER MOD Single : A 104 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.3!) USER MOD Single : A 107 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-0.078) USER MOD Single : A 122 MET CE :methyl 136:sc= -1.83 (180deg=-4.2!) USER MOD Single : A 124 CYS SG : rot 180:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 2.269 3.304 -18.945 1.00 0.00 N ATOM 59 CA VAL A 4 3.068 4.458 -18.547 1.00 0.00 C ATOM 60 C VAL A 4 2.877 5.628 -19.509 1.00 0.00 C ATOM 61 O VAL A 4 3.060 5.491 -20.718 1.00 0.00 O ATOM 62 CB VAL A 4 4.571 4.115 -18.462 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.955 3.759 -17.036 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.928 2.982 -19.416 1.00 0.00 C ATOM 0 HA VAL A 4 2.717 4.746 -17.556 1.00 0.00 H new ATOM 0 HB VAL A 4 5.138 4.996 -18.762 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.018 3.520 -16.994 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.747 4.605 -16.381 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.376 2.896 -16.708 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.992 2.761 -19.336 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.352 2.093 -19.157 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.695 3.280 -20.438 1.00 0.00 H new ATOM 74 N VAL A 5 2.516 6.779 -18.954 1.00 0.00 N ATOM 75 CA VAL A 5 2.303 7.988 -19.742 1.00 0.00 C ATOM 76 C VAL A 5 3.605 8.771 -19.893 1.00 0.00 C ATOM 77 O VAL A 5 4.472 8.706 -19.022 1.00 0.00 O ATOM 78 CB VAL A 5 1.240 8.899 -19.102 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.123 8.225 -19.120 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.640 9.271 -17.683 1.00 0.00 C ATOM 0 H VAL A 5 2.364 6.901 -17.953 1.00 0.00 H new ATOM 0 HA VAL A 5 1.950 7.672 -20.724 1.00 0.00 H new ATOM 0 HB VAL A 5 1.174 9.815 -19.688 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.861 8.884 -18.663 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.412 8.015 -20.150 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.075 7.291 -18.560 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.877 9.915 -17.247 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.737 8.366 -17.083 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.594 9.799 -17.700 1.00 0.00 H new ATOM 90 N PRO A 6 3.758 9.525 -21.003 1.00 0.00 N ATOM 91 CA PRO A 6 4.952 10.326 -21.272 1.00 0.00 C ATOM 92 C PRO A 6 5.622 10.830 -19.995 1.00 0.00 C ATOM 93 O PRO A 6 6.843 10.758 -19.853 1.00 0.00 O ATOM 94 CB PRO A 6 4.380 11.480 -22.084 1.00 0.00 C ATOM 95 CG PRO A 6 3.261 10.869 -22.869 1.00 0.00 C ATOM 96 CD PRO A 6 2.770 9.668 -22.086 1.00 0.00 C ATOM 0 HA PRO A 6 5.736 9.764 -21.779 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.020 12.280 -21.437 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.134 11.915 -22.740 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.456 11.589 -23.015 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.604 10.569 -23.859 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.766 9.830 -21.693 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.728 8.775 -22.709 1.00 0.00 H new ATOM 104 N ASP A 7 4.811 11.313 -19.061 1.00 0.00 N ATOM 105 CA ASP A 7 5.309 11.797 -17.790 1.00 0.00 C ATOM 106 C ASP A 7 4.460 11.213 -16.668 1.00 0.00 C ATOM 107 O ASP A 7 3.456 11.792 -16.258 1.00 0.00 O ATOM 108 CB ASP A 7 5.293 13.324 -17.750 1.00 0.00 C ATOM 109 CG ASP A 7 6.346 13.937 -18.654 1.00 0.00 C ATOM 110 OD1 ASP A 7 7.533 13.579 -18.511 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.981 14.775 -19.506 1.00 0.00 O ATOM 0 H ASP A 7 3.799 11.378 -19.167 1.00 0.00 H new ATOM 0 HA ASP A 7 6.343 11.477 -17.660 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.308 13.682 -18.049 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.457 13.660 -16.726 1.00 0.00 H new ATOM 116 N GLN A 8 4.869 10.050 -16.189 1.00 0.00 N ATOM 117 CA GLN A 8 4.156 9.363 -15.124 1.00 0.00 C ATOM 118 C GLN A 8 4.124 10.234 -13.885 1.00 0.00 C ATOM 119 O GLN A 8 3.089 10.388 -13.239 1.00 0.00 O ATOM 120 CB GLN A 8 4.820 8.021 -14.816 1.00 0.00 C ATOM 121 CG GLN A 8 4.893 7.091 -16.016 1.00 0.00 C ATOM 122 CD GLN A 8 6.309 6.650 -16.328 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.844 5.744 -15.689 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.924 7.291 -17.315 1.00 0.00 N ATOM 0 H GLN A 8 5.698 9.558 -16.524 1.00 0.00 H new ATOM 0 HA GLN A 8 3.133 9.171 -15.449 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.829 8.201 -14.444 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.268 7.527 -14.016 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.276 6.212 -15.828 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.473 7.594 -16.887 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.442 8.036 -17.818 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.879 7.038 -17.570 1.00 0.00 H new ATOM 133 N ARG A 9 5.266 10.831 -13.581 1.00 0.00 N ATOM 134 CA ARG A 9 5.370 11.721 -12.444 1.00 0.00 C ATOM 135 C ARG A 9 4.518 12.953 -12.682 1.00 0.00 C ATOM 136 O ARG A 9 4.096 13.611 -11.740 1.00 0.00 O ATOM 137 CB ARG A 9 6.825 12.127 -12.204 1.00 0.00 C ATOM 138 CG ARG A 9 7.699 10.988 -11.707 1.00 0.00 C ATOM 139 CD ARG A 9 9.172 11.359 -11.747 1.00 0.00 C ATOM 140 NE ARG A 9 9.522 12.329 -10.712 1.00 0.00 N ATOM 141 CZ ARG A 9 9.553 12.048 -9.411 1.00 0.00 C ATOM 142 NH1 ARG A 9 9.250 10.829 -8.981 1.00 0.00 N ATOM 143 NH2 ARG A 9 9.886 12.988 -8.537 1.00 0.00 N ATOM 0 H ARG A 9 6.131 10.713 -14.108 1.00 0.00 H new ATOM 0 HA ARG A 9 5.011 11.198 -11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.243 12.516 -13.132 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.852 12.939 -11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.415 10.729 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.529 10.103 -12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.775 10.460 -11.620 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.415 11.771 -12.726 1.00 0.00 H new ATOM 0 HE ARG A 9 9.757 13.278 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.992 10.102 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.275 10.619 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.118 13.927 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.910 12.772 -7.540 1.00 0.00 H new ATOM 157 N SER A 10 4.264 13.266 -13.950 1.00 0.00 N ATOM 158 CA SER A 10 3.451 14.432 -14.276 1.00 0.00 C ATOM 159 C SER A 10 2.036 14.270 -13.741 1.00 0.00 C ATOM 160 O SER A 10 1.428 15.231 -13.270 1.00 0.00 O ATOM 161 CB SER A 10 3.415 14.680 -15.789 1.00 0.00 C ATOM 162 OG SER A 10 4.492 15.507 -16.195 1.00 0.00 O ATOM 0 H SER A 10 4.603 12.739 -14.755 1.00 0.00 H new ATOM 0 HA SER A 10 3.911 15.297 -13.798 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.463 13.728 -16.318 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.469 15.149 -16.062 1.00 0.00 H new ATOM 0 HG SER A 10 4.362 15.780 -17.127 1.00 0.00 H new ATOM 168 N LYS A 11 1.514 13.052 -13.811 1.00 0.00 N ATOM 169 CA LYS A 11 0.169 12.782 -13.327 1.00 0.00 C ATOM 170 C LYS A 11 0.167 12.520 -11.836 1.00 0.00 C ATOM 171 O LYS A 11 -0.715 12.982 -11.123 1.00 0.00 O ATOM 172 CB LYS A 11 -0.451 11.602 -14.077 1.00 0.00 C ATOM 173 CG LYS A 11 -0.209 11.639 -15.577 1.00 0.00 C ATOM 174 CD LYS A 11 -1.044 12.716 -16.250 1.00 0.00 C ATOM 175 CE LYS A 11 -0.643 12.904 -17.705 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.655 14.338 -18.104 1.00 0.00 N ATOM 0 H LYS A 11 1.999 12.241 -14.196 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.436 13.669 -13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.046 10.673 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.525 11.588 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.848 11.822 -15.772 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.449 10.668 -16.009 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.099 12.448 -16.194 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.925 13.658 -15.714 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.354 12.492 -17.863 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.325 12.344 -18.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.376 14.423 -19.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.612 14.725 -17.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.014 14.869 -17.511 1.00 0.00 H new ATOM 190 N PHE A 12 1.165 11.808 -11.354 1.00 0.00 N ATOM 191 CA PHE A 12 1.257 11.534 -9.945 1.00 0.00 C ATOM 192 C PHE A 12 1.608 12.823 -9.201 1.00 0.00 C ATOM 193 O PHE A 12 1.378 12.941 -7.998 1.00 0.00 O ATOM 194 CB PHE A 12 2.277 10.411 -9.706 1.00 0.00 C ATOM 195 CG PHE A 12 2.980 10.466 -8.385 1.00 0.00 C ATOM 196 CD1 PHE A 12 4.072 11.289 -8.222 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.557 9.688 -7.317 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.742 11.344 -7.014 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.219 9.734 -6.103 1.00 0.00 C ATOM 200 CZ PHE A 12 4.315 10.565 -5.951 1.00 0.00 C ATOM 0 H PHE A 12 1.917 11.413 -11.918 1.00 0.00 H new ATOM 0 HA PHE A 12 0.300 11.186 -9.556 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.765 9.452 -9.789 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.023 10.444 -10.500 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.409 11.899 -9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.702 9.039 -7.435 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.597 11.993 -6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.882 9.124 -5.278 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.836 10.606 -5.006 1.00 0.00 H new ATOM 210 N GLU A 13 2.165 13.794 -9.936 1.00 0.00 N ATOM 211 CA GLU A 13 2.541 15.079 -9.345 1.00 0.00 C ATOM 212 C GLU A 13 1.513 16.176 -9.626 1.00 0.00 C ATOM 213 O GLU A 13 1.456 17.174 -8.910 1.00 0.00 O ATOM 214 CB GLU A 13 3.914 15.532 -9.848 1.00 0.00 C ATOM 215 CG GLU A 13 5.057 14.640 -9.390 1.00 0.00 C ATOM 216 CD GLU A 13 6.038 15.364 -8.488 1.00 0.00 C ATOM 217 OE1 GLU A 13 6.721 16.289 -8.975 1.00 0.00 O ATOM 218 OE2 GLU A 13 6.122 15.004 -7.294 1.00 0.00 O ATOM 0 H GLU A 13 2.363 13.713 -10.933 1.00 0.00 H new ATOM 0 HA GLU A 13 2.579 14.920 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.901 15.560 -10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.099 16.550 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.650 13.778 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.586 14.257 -10.263 1.00 0.00 H new ATOM 225 N ASN A 14 0.734 16.018 -10.694 1.00 0.00 N ATOM 226 CA ASN A 14 -0.244 17.038 -11.070 1.00 0.00 C ATOM 227 C ASN A 14 -1.687 16.614 -10.800 1.00 0.00 C ATOM 228 O ASN A 14 -2.545 17.461 -10.553 1.00 0.00 O ATOM 229 CB ASN A 14 -0.085 17.397 -12.547 1.00 0.00 C ATOM 230 CG ASN A 14 -0.624 18.777 -12.868 1.00 0.00 C ATOM 231 OD1 ASN A 14 -0.577 19.684 -12.036 1.00 0.00 O ATOM 232 ND2 ASN A 14 -1.141 18.945 -14.079 1.00 0.00 N ATOM 0 H ASN A 14 0.759 15.204 -11.308 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.043 17.907 -10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.970 17.350 -12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.604 16.657 -13.156 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.519 19.853 -14.351 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.160 18.167 -14.738 1.00 0.00 H new ATOM 239 N GLU A 15 -1.964 15.317 -10.856 1.00 0.00 N ATOM 240 CA GLU A 15 -3.326 14.837 -10.622 1.00 0.00 C ATOM 241 C GLU A 15 -3.771 15.150 -9.193 1.00 0.00 C ATOM 242 O GLU A 15 -3.003 14.985 -8.248 1.00 0.00 O ATOM 243 CB GLU A 15 -3.430 13.338 -10.906 1.00 0.00 C ATOM 244 CG GLU A 15 -3.661 13.015 -12.373 1.00 0.00 C ATOM 245 CD GLU A 15 -4.966 13.581 -12.896 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.994 12.877 -12.816 1.00 0.00 O ATOM 247 OE2 GLU A 15 -4.960 14.729 -13.389 1.00 0.00 O ATOM 0 H GLU A 15 -1.280 14.588 -11.057 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.993 15.359 -11.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.514 12.849 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.246 12.920 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.835 13.412 -12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.658 11.933 -12.508 1.00 0.00 H new ATOM 254 N GLU A 16 -5.008 15.634 -9.054 1.00 0.00 N ATOM 255 CA GLU A 16 -5.555 16.013 -7.745 1.00 0.00 C ATOM 256 C GLU A 16 -5.636 14.836 -6.777 1.00 0.00 C ATOM 257 O GLU A 16 -4.799 14.719 -5.883 1.00 0.00 O ATOM 258 CB GLU A 16 -6.933 16.668 -7.900 1.00 0.00 C ATOM 259 CG GLU A 16 -7.851 15.957 -8.880 1.00 0.00 C ATOM 260 CD GLU A 16 -8.360 16.874 -9.976 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.696 18.037 -9.668 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.420 16.430 -11.141 1.00 0.00 O ATOM 0 H GLU A 16 -5.652 15.774 -9.832 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.861 16.735 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.418 16.704 -6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.799 17.699 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.317 15.121 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.700 15.539 -8.339 1.00 0.00 H new ATOM 269 N PHE A 17 -6.633 13.966 -6.940 1.00 0.00 N ATOM 270 CA PHE A 17 -6.775 12.818 -6.055 1.00 0.00 C ATOM 271 C PHE A 17 -5.449 12.084 -5.973 1.00 0.00 C ATOM 272 O PHE A 17 -5.031 11.643 -4.906 1.00 0.00 O ATOM 273 CB PHE A 17 -7.897 11.889 -6.554 1.00 0.00 C ATOM 274 CG PHE A 17 -7.554 10.424 -6.507 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.691 9.878 -7.440 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.087 9.601 -5.528 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.363 8.536 -7.400 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.764 8.257 -5.481 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.901 7.724 -6.419 1.00 0.00 C ATOM 0 H PHE A 17 -7.344 14.035 -7.668 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.051 13.158 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.790 12.061 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.147 12.159 -7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.268 10.508 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.762 10.014 -4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.687 8.122 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.185 7.626 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.647 6.675 -6.386 1.00 0.00 H new ATOM 289 N PHE A 18 -4.803 11.968 -7.119 1.00 0.00 N ATOM 290 CA PHE A 18 -3.531 11.301 -7.225 1.00 0.00 C ATOM 291 C PHE A 18 -2.499 12.038 -6.378 1.00 0.00 C ATOM 292 O PHE A 18 -1.567 11.433 -5.857 1.00 0.00 O ATOM 293 CB PHE A 18 -3.131 11.317 -8.689 1.00 0.00 C ATOM 294 CG PHE A 18 -2.404 10.104 -9.147 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.175 9.742 -8.637 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.990 9.322 -10.112 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.536 8.603 -9.096 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.366 8.186 -10.580 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.136 7.824 -10.073 1.00 0.00 C ATOM 0 H PHE A 18 -5.153 12.338 -8.003 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.592 10.274 -6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.029 11.437 -9.296 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.504 12.190 -8.871 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.709 10.350 -7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.954 9.602 -10.510 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.426 8.322 -8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.838 7.582 -11.341 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.641 6.935 -10.436 1.00 0.00 H new ATOM 309 N ARG A 19 -2.692 13.352 -6.229 1.00 0.00 N ATOM 310 CA ARG A 19 -1.797 14.176 -5.422 1.00 0.00 C ATOM 311 C ARG A 19 -2.177 14.061 -3.953 1.00 0.00 C ATOM 312 O ARG A 19 -1.400 13.561 -3.138 1.00 0.00 O ATOM 313 CB ARG A 19 -1.871 15.643 -5.852 1.00 0.00 C ATOM 314 CG ARG A 19 -0.739 16.072 -6.771 1.00 0.00 C ATOM 315 CD ARG A 19 -0.004 17.285 -6.220 1.00 0.00 C ATOM 316 NE ARG A 19 -0.900 18.421 -6.015 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.297 19.238 -6.988 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.883 19.049 -8.234 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.112 20.248 -6.713 1.00 0.00 N ATOM 0 H ARG A 19 -3.462 13.865 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.777 13.820 -5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.821 15.816 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.863 16.273 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.038 15.247 -6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.138 16.304 -7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.471 17.023 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.792 17.570 -6.908 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.241 18.598 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.257 18.274 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.191 19.679 -8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.434 20.398 -5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.417 20.875 -7.458 1.00 0.00 H new ATOM 333 N LYS A 20 -3.392 14.503 -3.619 1.00 0.00 N ATOM 334 CA LYS A 20 -3.867 14.419 -2.240 1.00 0.00 C ATOM 335 C LYS A 20 -3.668 13.002 -1.712 1.00 0.00 C ATOM 336 O LYS A 20 -3.502 12.794 -0.510 1.00 0.00 O ATOM 337 CB LYS A 20 -5.335 14.843 -2.126 1.00 0.00 C ATOM 338 CG LYS A 20 -6.233 14.253 -3.198 1.00 0.00 C ATOM 339 CD LYS A 20 -7.177 15.298 -3.780 1.00 0.00 C ATOM 340 CE LYS A 20 -8.628 14.843 -3.717 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.532 15.932 -3.256 1.00 0.00 N ATOM 0 H LYS A 20 -4.055 14.916 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.283 15.110 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.713 14.548 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.393 15.930 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.620 13.832 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.814 13.433 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.065 16.234 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.903 15.499 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.944 14.501 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.712 13.991 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.511 15.582 -3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.246 16.241 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.471 16.735 -3.914 1.00 0.00 H new ATOM 355 N LEU A 21 -3.653 12.033 -2.628 1.00 0.00 N ATOM 356 CA LEU A 21 -3.433 10.642 -2.259 1.00 0.00 C ATOM 357 C LEU A 21 -1.938 10.341 -2.268 1.00 0.00 C ATOM 358 O LEU A 21 -1.430 9.652 -1.384 1.00 0.00 O ATOM 359 CB LEU A 21 -4.151 9.698 -3.223 1.00 0.00 C ATOM 360 CG LEU A 21 -5.675 9.627 -3.071 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.088 8.312 -2.427 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.211 10.806 -2.268 1.00 0.00 C ATOM 0 H LEU A 21 -3.790 12.189 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.837 10.484 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.920 10.005 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.744 8.695 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.110 9.679 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.173 8.280 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.756 7.482 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.631 8.230 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.294 10.724 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.765 10.802 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.958 11.737 -2.775 1.00 0.00 H new ATOM 374 N SER A 22 -1.235 10.889 -3.266 1.00 0.00 N ATOM 375 CA SER A 22 0.212 10.703 -3.391 1.00 0.00 C ATOM 376 C SER A 22 0.934 11.155 -2.125 1.00 0.00 C ATOM 377 O SER A 22 2.101 10.827 -1.915 1.00 0.00 O ATOM 378 CB SER A 22 0.754 11.480 -4.592 1.00 0.00 C ATOM 379 OG SER A 22 2.154 11.678 -4.486 1.00 0.00 O ATOM 0 H SER A 22 -1.647 11.466 -3.999 1.00 0.00 H new ATOM 0 HA SER A 22 0.396 9.639 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.529 10.938 -5.510 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.252 12.445 -4.661 1.00 0.00 H new ATOM 0 HG SER A 22 2.586 11.417 -5.326 1.00 0.00 H new ATOM 385 N ARG A 23 0.241 11.922 -1.292 1.00 0.00 N ATOM 386 CA ARG A 23 0.825 12.426 -0.059 1.00 0.00 C ATOM 387 C ARG A 23 0.400 11.569 1.129 1.00 0.00 C ATOM 388 O ARG A 23 -0.114 10.462 0.955 1.00 0.00 O ATOM 389 CB ARG A 23 0.404 13.880 0.158 1.00 0.00 C ATOM 390 CG ARG A 23 0.406 14.707 -1.120 1.00 0.00 C ATOM 391 CD ARG A 23 1.743 15.397 -1.333 1.00 0.00 C ATOM 392 NE ARG A 23 1.592 16.706 -1.963 1.00 0.00 N ATOM 393 CZ ARG A 23 2.607 17.415 -2.451 1.00 0.00 C ATOM 394 NH1 ARG A 23 3.846 16.946 -2.382 1.00 0.00 N ATOM 395 NH2 ARG A 23 2.383 18.597 -3.009 1.00 0.00 N ATOM 0 H ARG A 23 -0.726 12.207 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 23 1.911 12.378 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.595 13.900 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.076 14.341 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.188 14.063 -1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.387 15.454 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.247 15.513 -0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.380 14.768 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 23 0.654 17.100 -2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.024 16.038 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.620 17.494 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.433 18.963 -3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.161 19.140 -3.383 1.00 0.00 H new ATOM 409 N GLU A 24 0.636 12.082 2.331 1.00 0.00 N ATOM 410 CA GLU A 24 0.294 11.362 3.554 1.00 0.00 C ATOM 411 C GLU A 24 -0.974 11.919 4.191 1.00 0.00 C ATOM 412 O GLU A 24 -1.172 13.134 4.248 1.00 0.00 O ATOM 413 CB GLU A 24 1.449 11.432 4.559 1.00 0.00 C ATOM 414 CG GLU A 24 2.829 11.341 3.924 1.00 0.00 C ATOM 415 CD GLU A 24 3.911 11.946 4.797 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.642 12.979 5.444 1.00 0.00 O ATOM 417 OE2 GLU A 24 5.028 11.388 4.832 1.00 0.00 O ATOM 0 H GLU A 24 1.063 12.995 2.486 1.00 0.00 H new ATOM 0 HA GLU A 24 0.114 10.322 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.377 12.367 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.338 10.623 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.067 10.295 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.816 11.851 2.961 1.00 0.00 H new ATOM 424 N CYS A 25 -1.828 11.022 4.678 1.00 0.00 N ATOM 425 CA CYS A 25 -3.075 11.420 5.321 1.00 0.00 C ATOM 426 C CYS A 25 -3.490 10.405 6.382 1.00 0.00 C ATOM 427 O CYS A 25 -2.687 9.577 6.813 1.00 0.00 O ATOM 428 CB CYS A 25 -4.184 11.592 4.276 1.00 0.00 C ATOM 429 SG CYS A 25 -5.026 10.058 3.813 1.00 0.00 S ATOM 0 H CYS A 25 -1.678 10.014 4.639 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.913 12.377 5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.923 12.295 4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.755 12.040 3.380 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.944 9.889 2.527 1.00 0.00 H new ATOM 435 N GLU A 26 -4.749 10.478 6.799 1.00 0.00 N ATOM 436 CA GLU A 26 -5.271 9.570 7.809 1.00 0.00 C ATOM 437 C GLU A 26 -6.042 8.418 7.170 1.00 0.00 C ATOM 438 O GLU A 26 -6.998 8.630 6.425 1.00 0.00 O ATOM 439 CB GLU A 26 -6.176 10.324 8.786 1.00 0.00 C ATOM 440 CG GLU A 26 -7.270 11.132 8.109 1.00 0.00 C ATOM 441 CD GLU A 26 -7.199 12.610 8.443 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.074 13.143 8.537 1.00 0.00 O ATOM 443 OE2 GLU A 26 -8.269 13.233 8.609 1.00 0.00 O ATOM 0 H GLU A 26 -5.426 11.157 6.452 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.424 9.154 8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.635 9.608 9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.564 10.993 9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.195 11.004 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.243 10.742 8.410 1.00 0.00 H new ATOM 450 N ILE A 27 -5.620 7.199 7.476 1.00 0.00 N ATOM 451 CA ILE A 27 -6.274 6.007 6.944 1.00 0.00 C ATOM 452 C ILE A 27 -6.937 5.211 8.063 1.00 0.00 C ATOM 453 O ILE A 27 -6.750 5.508 9.242 1.00 0.00 O ATOM 454 CB ILE A 27 -5.282 5.094 6.199 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.153 4.661 7.135 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.725 5.804 4.976 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.136 3.756 6.476 1.00 0.00 C ATOM 0 H ILE A 27 -4.828 7.007 8.090 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.030 6.350 6.237 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.811 4.202 5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.646 5.548 7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.582 4.147 7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.026 5.146 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.542 6.064 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.207 6.712 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.365 3.489 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.630 2.851 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.679 4.275 5.633 1.00 0.00 H new ATOM 469 N LYS A 28 -7.714 4.199 7.689 1.00 0.00 N ATOM 470 CA LYS A 28 -8.407 3.369 8.676 1.00 0.00 C ATOM 471 C LYS A 28 -8.682 1.974 8.126 1.00 0.00 C ATOM 472 O LYS A 28 -8.498 1.723 6.939 1.00 0.00 O ATOM 473 CB LYS A 28 -9.724 4.027 9.095 1.00 0.00 C ATOM 474 CG LYS A 28 -9.610 5.521 9.341 1.00 0.00 C ATOM 475 CD LYS A 28 -10.949 6.124 9.734 1.00 0.00 C ATOM 476 CE LYS A 28 -11.319 5.772 11.166 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.789 5.596 11.332 1.00 0.00 N ATOM 0 H LYS A 28 -7.881 3.933 6.718 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.758 3.275 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.470 3.851 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.088 3.545 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.881 5.706 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.239 6.012 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.908 7.208 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.724 5.764 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.808 4.854 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.970 6.558 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.000 5.357 12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.275 6.479 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.119 4.829 10.712 1.00 0.00 H new ATOM 491 N TYR A 29 -9.125 1.065 8.993 1.00 0.00 N ATOM 492 CA TYR A 29 -9.426 -0.300 8.572 1.00 0.00 C ATOM 493 C TYR A 29 -10.825 -0.391 7.972 1.00 0.00 C ATOM 494 O TYR A 29 -11.725 0.347 8.367 1.00 0.00 O ATOM 495 CB TYR A 29 -9.290 -1.276 9.739 1.00 0.00 C ATOM 496 CG TYR A 29 -8.991 -2.691 9.293 1.00 0.00 C ATOM 497 CD1 TYR A 29 -8.087 -2.937 8.266 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.616 -3.776 9.890 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.815 -4.225 7.847 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.347 -5.067 9.477 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.449 -5.285 8.456 1.00 0.00 C ATOM 502 OH TYR A 29 -8.180 -6.569 8.044 1.00 0.00 O ATOM 0 H TYR A 29 -9.282 1.248 9.984 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.702 -0.575 7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.495 -0.934 10.401 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.213 -1.271 10.319 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.589 -2.107 7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.323 -3.609 10.689 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.110 -4.399 7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.839 -5.902 9.953 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.961 -6.933 7.578 1.00 0.00 H new ATOM 512 N THR A 30 -10.993 -1.296 7.008 1.00 0.00 N ATOM 513 CA THR A 30 -12.285 -1.483 6.346 1.00 0.00 C ATOM 514 C THR A 30 -12.303 -2.754 5.499 1.00 0.00 C ATOM 515 O THR A 30 -13.072 -2.857 4.543 1.00 0.00 O ATOM 516 CB THR A 30 -12.601 -0.283 5.456 1.00 0.00 C ATOM 517 OG1 THR A 30 -11.419 0.212 4.854 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.261 0.861 6.195 1.00 0.00 C ATOM 0 H THR A 30 -10.253 -1.910 6.668 1.00 0.00 H new ATOM 0 HA THR A 30 -13.041 -1.576 7.126 1.00 0.00 H new ATOM 0 HB THR A 30 -13.302 -0.653 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.509 0.176 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.456 1.678 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.201 0.520 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.601 1.210 6.989 1.00 0.00 H new ATOM 526 N GLY A 31 -11.461 -3.721 5.849 1.00 0.00 N ATOM 527 CA GLY A 31 -11.417 -4.963 5.098 1.00 0.00 C ATOM 528 C GLY A 31 -12.640 -5.821 5.346 1.00 0.00 C ATOM 529 O GLY A 31 -13.473 -6.003 4.458 1.00 0.00 O ATOM 0 H GLY A 31 -10.812 -3.668 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.340 -4.740 4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.522 -5.521 5.372 1.00 0.00 H new ATOM 533 N PHE A 32 -12.748 -6.342 6.560 1.00 0.00 N ATOM 534 CA PHE A 32 -13.879 -7.180 6.942 1.00 0.00 C ATOM 535 C PHE A 32 -14.250 -6.931 8.402 1.00 0.00 C ATOM 536 O PHE A 32 -14.793 -7.804 9.077 1.00 0.00 O ATOM 537 CB PHE A 32 -13.555 -8.665 6.722 1.00 0.00 C ATOM 538 CG PHE A 32 -12.096 -8.953 6.478 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.137 -8.587 7.409 1.00 0.00 C ATOM 540 CD2 PHE A 32 -11.689 -9.594 5.320 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.796 -8.855 7.191 1.00 0.00 C ATOM 542 CE2 PHE A 32 -10.352 -9.866 5.095 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.405 -9.497 6.031 1.00 0.00 C ATOM 0 H PHE A 32 -12.063 -6.199 7.302 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.729 -6.918 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.883 -9.229 7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -14.132 -9.028 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.440 -8.086 8.317 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.424 -9.885 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.059 -8.564 7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.048 -10.367 4.188 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.361 -9.710 5.857 1.00 0.00 H new ATOM 553 N ARG A 33 -13.939 -5.728 8.878 1.00 0.00 N ATOM 554 CA ARG A 33 -14.211 -5.334 10.256 1.00 0.00 C ATOM 555 C ARG A 33 -15.678 -5.029 10.494 1.00 0.00 C ATOM 556 O ARG A 33 -16.107 -4.854 11.634 1.00 0.00 O ATOM 557 CB ARG A 33 -13.404 -4.091 10.588 1.00 0.00 C ATOM 558 CG ARG A 33 -13.888 -2.859 9.836 1.00 0.00 C ATOM 559 CD ARG A 33 -13.012 -1.651 10.101 1.00 0.00 C ATOM 560 NE ARG A 33 -13.561 -0.801 11.155 1.00 0.00 N ATOM 561 CZ ARG A 33 -13.003 0.338 11.561 1.00 0.00 C ATOM 562 NH1 ARG A 33 -11.880 0.772 10.999 1.00 0.00 N ATOM 563 NH2 ARG A 33 -13.567 1.045 12.529 1.00 0.00 N ATOM 0 H ARG A 33 -13.492 -5.001 8.320 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.932 -6.173 10.893 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.459 -3.902 11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.355 -4.269 10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.902 -3.069 8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.913 -2.635 10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.013 -1.982 10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.907 -1.071 9.184 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.425 -1.098 11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.441 0.232 10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.457 1.645 11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.429 0.717 12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.139 1.917 12.839 1.00 0.00 H new ATOM 577 N ASP A 34 -16.440 -4.941 9.421 1.00 0.00 N ATOM 578 CA ASP A 34 -17.858 -4.627 9.523 1.00 0.00 C ATOM 579 C ASP A 34 -18.580 -5.541 10.518 1.00 0.00 C ATOM 580 O ASP A 34 -19.743 -5.300 10.849 1.00 0.00 O ATOM 581 CB ASP A 34 -18.525 -4.718 8.149 1.00 0.00 C ATOM 582 CG ASP A 34 -18.097 -5.950 7.374 1.00 0.00 C ATOM 583 OD1 ASP A 34 -16.887 -6.085 7.096 1.00 0.00 O ATOM 584 OD2 ASP A 34 -18.972 -6.779 7.046 1.00 0.00 O ATOM 0 H ASP A 34 -16.104 -5.082 8.468 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.936 -3.606 9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.608 -4.730 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.281 -3.827 7.571 1.00 0.00 H new ATOM 589 N ARG A 35 -17.900 -6.581 11.007 1.00 0.00 N ATOM 590 CA ARG A 35 -18.509 -7.493 11.968 1.00 0.00 C ATOM 591 C ARG A 35 -17.621 -7.675 13.210 1.00 0.00 C ATOM 592 O ARG A 35 -17.984 -7.213 14.291 1.00 0.00 O ATOM 593 CB ARG A 35 -18.856 -8.841 11.314 1.00 0.00 C ATOM 594 CG ARG A 35 -18.931 -8.791 9.791 1.00 0.00 C ATOM 595 CD ARG A 35 -17.551 -8.771 9.143 1.00 0.00 C ATOM 596 NE ARG A 35 -17.049 -10.117 8.881 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.410 -10.851 7.831 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.277 -10.376 6.945 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.903 -12.065 7.665 1.00 0.00 N ATOM 0 H ARG A 35 -16.938 -6.808 10.755 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.444 -7.044 12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.108 -9.578 11.607 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.814 -9.186 11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.487 -9.655 9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.486 -7.904 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.598 -8.213 8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.853 -8.244 9.793 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.383 -10.518 9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.671 -9.443 7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.549 -10.944 6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.236 -12.436 8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.180 -12.628 6.860 1.00 0.00 H new ATOM 613 N PRO A 36 -16.450 -8.349 13.102 1.00 0.00 N ATOM 614 CA PRO A 36 -15.560 -8.569 14.231 1.00 0.00 C ATOM 615 C PRO A 36 -14.350 -7.635 14.218 1.00 0.00 C ATOM 616 O PRO A 36 -13.212 -8.090 14.306 1.00 0.00 O ATOM 617 CB PRO A 36 -15.116 -10.000 13.968 1.00 0.00 C ATOM 618 CG PRO A 36 -15.019 -10.090 12.474 1.00 0.00 C ATOM 619 CD PRO A 36 -15.878 -8.975 11.902 1.00 0.00 C ATOM 0 HA PRO A 36 -16.035 -8.389 15.196 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.158 -10.213 14.442 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.834 -10.718 14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.984 -9.985 12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.366 -11.062 12.123 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.286 -8.268 11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.653 -9.362 11.240 1.00 0.00 H new ATOM 627 N HIS A 37 -14.600 -6.332 14.102 1.00 0.00 N ATOM 628 CA HIS A 37 -13.526 -5.334 14.068 1.00 0.00 C ATOM 629 C HIS A 37 -12.427 -5.646 15.091 1.00 0.00 C ATOM 630 O HIS A 37 -11.244 -5.729 14.745 1.00 0.00 O ATOM 631 CB HIS A 37 -14.105 -3.939 14.322 1.00 0.00 C ATOM 632 CG HIS A 37 -13.086 -2.838 14.319 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.688 -2.189 15.466 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.397 -2.255 13.302 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.805 -1.257 15.161 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.610 -1.275 13.854 1.00 0.00 N ATOM 0 H HIS A 37 -15.539 -5.939 14.030 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.071 -5.365 13.078 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.855 -3.726 13.561 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.618 -3.941 15.284 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.024 -2.397 16.407 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.458 -2.514 12.255 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.323 -0.591 15.862 1.00 0.00 H new ATOM 645 N GLU A 38 -12.822 -5.818 16.350 1.00 0.00 N ATOM 646 CA GLU A 38 -11.871 -6.115 17.420 1.00 0.00 C ATOM 647 C GLU A 38 -11.043 -7.354 17.100 1.00 0.00 C ATOM 648 O GLU A 38 -9.881 -7.451 17.493 1.00 0.00 O ATOM 649 CB GLU A 38 -12.607 -6.309 18.747 1.00 0.00 C ATOM 650 CG GLU A 38 -13.718 -7.344 18.680 1.00 0.00 C ATOM 651 CD GLU A 38 -13.856 -8.135 19.965 1.00 0.00 C ATOM 652 OE1 GLU A 38 -12.824 -8.380 20.626 1.00 0.00 O ATOM 653 OE2 GLU A 38 -14.996 -8.510 20.312 1.00 0.00 O ATOM 0 H GLU A 38 -13.793 -5.757 16.655 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.193 -5.266 17.506 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.889 -6.608 19.511 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.029 -5.355 19.062 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.662 -6.845 18.462 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.522 -8.029 17.855 1.00 0.00 H new ATOM 660 N GLU A 39 -11.632 -8.282 16.360 1.00 0.00 N ATOM 661 CA GLU A 39 -10.927 -9.492 15.959 1.00 0.00 C ATOM 662 C GLU A 39 -10.145 -9.181 14.710 1.00 0.00 C ATOM 663 O GLU A 39 -9.030 -9.662 14.505 1.00 0.00 O ATOM 664 CB GLU A 39 -11.903 -10.634 15.690 1.00 0.00 C ATOM 665 CG GLU A 39 -11.422 -11.979 16.208 1.00 0.00 C ATOM 666 CD GLU A 39 -11.390 -12.040 17.722 1.00 0.00 C ATOM 667 OE1 GLU A 39 -10.375 -11.613 18.313 1.00 0.00 O ATOM 668 OE2 GLU A 39 -12.380 -12.514 18.319 1.00 0.00 O ATOM 0 H GLU A 39 -12.594 -8.221 16.026 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.262 -9.810 16.762 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.862 -10.398 16.152 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.076 -10.708 14.616 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.075 -12.765 15.830 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.424 -12.179 15.818 1.00 0.00 H new ATOM 675 N ARG A 40 -10.751 -8.341 13.884 1.00 0.00 N ATOM 676 CA ARG A 40 -10.150 -7.907 12.652 1.00 0.00 C ATOM 677 C ARG A 40 -8.783 -7.307 12.923 1.00 0.00 C ATOM 678 O ARG A 40 -7.912 -7.302 12.054 1.00 0.00 O ATOM 679 CB ARG A 40 -11.062 -6.905 11.961 1.00 0.00 C ATOM 680 CG ARG A 40 -11.574 -7.404 10.623 1.00 0.00 C ATOM 681 CD ARG A 40 -12.382 -8.684 10.778 1.00 0.00 C ATOM 682 NE ARG A 40 -11.925 -9.731 9.865 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.728 -10.620 9.282 1.00 0.00 C ATOM 684 NH1 ARG A 40 -14.036 -10.599 9.504 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.220 -11.534 8.465 1.00 0.00 N ATOM 0 H ARG A 40 -11.675 -7.946 14.058 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.017 -8.763 11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.909 -6.684 12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.521 -5.970 11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.193 -6.636 10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.732 -7.582 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.305 -9.040 11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.435 -8.474 10.591 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.927 -9.784 9.661 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.436 -9.897 10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.641 -11.285 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.216 -11.555 8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.833 -12.215 8.018 1.00 0.00 H new ATOM 699 N GLN A 41 -8.584 -6.832 14.152 1.00 0.00 N ATOM 700 CA GLN A 41 -7.296 -6.271 14.537 1.00 0.00 C ATOM 701 C GLN A 41 -6.214 -7.299 14.236 1.00 0.00 C ATOM 702 O GLN A 41 -5.155 -6.982 13.691 1.00 0.00 O ATOM 703 CB GLN A 41 -7.285 -5.893 16.023 1.00 0.00 C ATOM 704 CG GLN A 41 -7.150 -7.082 16.963 1.00 0.00 C ATOM 705 CD GLN A 41 -7.396 -6.709 18.412 1.00 0.00 C ATOM 706 OE1 GLN A 41 -7.131 -5.581 18.828 1.00 0.00 O ATOM 707 NE2 GLN A 41 -7.904 -7.658 19.190 1.00 0.00 N ATOM 0 H GLN A 41 -9.290 -6.825 14.888 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.110 -5.360 13.969 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.461 -5.203 16.206 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.206 -5.359 16.258 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.856 -7.857 16.666 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.151 -7.506 16.865 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.109 -8.579 18.803 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.090 -7.465 20.174 1.00 0.00 H new ATOM 716 N THR A 42 -6.526 -8.549 14.567 1.00 0.00 N ATOM 717 CA THR A 42 -5.626 -9.656 14.309 1.00 0.00 C ATOM 718 C THR A 42 -5.771 -10.095 12.864 1.00 0.00 C ATOM 719 O THR A 42 -4.798 -10.508 12.235 1.00 0.00 O ATOM 720 CB THR A 42 -5.922 -10.824 15.251 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.910 -10.397 16.602 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.934 -11.964 15.122 1.00 0.00 C ATOM 0 H THR A 42 -7.402 -8.816 15.017 1.00 0.00 H new ATOM 0 HA THR A 42 -4.601 -9.330 14.488 1.00 0.00 H new ATOM 0 HB THR A 42 -6.909 -11.184 14.960 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.103 -11.159 17.188 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.202 -12.759 15.818 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.956 -12.351 14.103 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.931 -11.604 15.352 1.00 0.00 H new ATOM 730 N ARG A 43 -6.986 -9.981 12.324 1.00 0.00 N ATOM 731 CA ARG A 43 -7.208 -10.354 10.929 1.00 0.00 C ATOM 732 C ARG A 43 -6.374 -9.458 10.022 1.00 0.00 C ATOM 733 O ARG A 43 -5.913 -9.883 8.962 1.00 0.00 O ATOM 734 CB ARG A 43 -8.683 -10.248 10.549 1.00 0.00 C ATOM 735 CG ARG A 43 -9.459 -11.539 10.745 1.00 0.00 C ATOM 736 CD ARG A 43 -10.065 -11.626 12.138 1.00 0.00 C ATOM 737 NE ARG A 43 -11.482 -11.981 12.099 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.931 -13.220 11.917 1.00 0.00 C ATOM 739 NH1 ARG A 43 -11.081 -14.226 11.758 1.00 0.00 N ATOM 740 NH2 ARG A 43 -13.237 -13.455 11.894 1.00 0.00 N ATOM 0 H ARG A 43 -7.812 -9.642 12.818 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.904 -11.393 10.803 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.147 -9.462 11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.759 -9.944 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.251 -11.604 9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.797 -12.390 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.522 -12.368 12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.945 -10.669 12.646 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.167 -11.235 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.076 -14.052 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.432 -15.173 11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.896 -12.686 12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.582 -14.405 11.754 1.00 0.00 H new ATOM 754 N PHE A 44 -6.165 -8.217 10.460 1.00 0.00 N ATOM 755 CA PHE A 44 -5.369 -7.268 9.708 1.00 0.00 C ATOM 756 C PHE A 44 -3.894 -7.631 9.848 1.00 0.00 C ATOM 757 O PHE A 44 -3.188 -7.811 8.855 1.00 0.00 O ATOM 758 CB PHE A 44 -5.633 -5.849 10.218 1.00 0.00 C ATOM 759 CG PHE A 44 -4.425 -4.969 10.204 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.996 -4.380 9.030 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.719 -4.743 11.367 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.877 -3.574 9.014 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.598 -3.937 11.365 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.175 -3.350 10.185 1.00 0.00 C ATOM 0 H PHE A 44 -6.540 -7.852 11.335 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.643 -7.306 8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.411 -5.392 9.607 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.019 -5.905 11.236 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.543 -4.553 8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.046 -5.201 12.289 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.550 -3.119 8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.053 -3.765 12.281 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.299 -2.719 10.178 1.00 0.00 H new ATOM 774 N GLN A 45 -3.442 -7.757 11.097 1.00 0.00 N ATOM 775 CA GLN A 45 -2.058 -8.124 11.376 1.00 0.00 C ATOM 776 C GLN A 45 -1.744 -9.480 10.753 1.00 0.00 C ATOM 777 O GLN A 45 -0.617 -9.742 10.332 1.00 0.00 O ATOM 778 CB GLN A 45 -1.809 -8.169 12.886 1.00 0.00 C ATOM 779 CG GLN A 45 -1.250 -6.872 13.449 1.00 0.00 C ATOM 780 CD GLN A 45 0.044 -7.075 14.212 1.00 0.00 C ATOM 781 OE1 GLN A 45 1.125 -6.741 13.724 1.00 0.00 O ATOM 782 NE2 GLN A 45 -0.058 -7.626 15.415 1.00 0.00 N ATOM 0 H GLN A 45 -4.015 -7.610 11.928 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.403 -7.370 10.939 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.745 -8.402 13.393 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.116 -8.980 13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.079 -6.170 12.633 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.989 -6.419 14.110 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.974 -7.887 15.780 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.779 -7.788 15.974 1.00 0.00 H new ATOM 791 N ASN A 46 -2.765 -10.328 10.677 1.00 0.00 N ATOM 792 CA ASN A 46 -2.627 -11.652 10.081 1.00 0.00 C ATOM 793 C ASN A 46 -2.567 -11.513 8.568 1.00 0.00 C ATOM 794 O ASN A 46 -1.896 -12.285 7.882 1.00 0.00 O ATOM 795 CB ASN A 46 -3.796 -12.553 10.481 1.00 0.00 C ATOM 796 CG ASN A 46 -3.556 -13.263 11.799 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.107 -12.655 12.772 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.855 -14.557 11.838 1.00 0.00 N ATOM 0 H ASN A 46 -3.702 -10.120 11.023 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.708 -12.112 10.445 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.704 -11.954 10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.965 -13.293 9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.715 -15.087 12.698 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.225 -15.020 11.008 1.00 0.00 H new ATOM 805 N ALA A 47 -3.247 -10.490 8.064 1.00 0.00 N ATOM 806 CA ALA A 47 -3.251 -10.198 6.644 1.00 0.00 C ATOM 807 C ALA A 47 -1.864 -9.732 6.250 1.00 0.00 C ATOM 808 O ALA A 47 -1.395 -9.986 5.140 1.00 0.00 O ATOM 809 CB ALA A 47 -4.296 -9.140 6.315 1.00 0.00 C ATOM 0 H ALA A 47 -3.805 -9.847 8.626 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.511 -11.094 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.282 -8.936 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.283 -9.502 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.071 -8.224 6.862 1.00 0.00 H new ATOM 815 N CYS A 48 -1.192 -9.085 7.201 1.00 0.00 N ATOM 816 CA CYS A 48 0.171 -8.626 6.985 1.00 0.00 C ATOM 817 C CYS A 48 1.072 -9.837 6.805 1.00 0.00 C ATOM 818 O CYS A 48 2.156 -9.745 6.228 1.00 0.00 O ATOM 819 CB CYS A 48 0.648 -7.778 8.166 1.00 0.00 C ATOM 820 SG CYS A 48 2.317 -7.114 7.972 1.00 0.00 S ATOM 0 H CYS A 48 -1.571 -8.870 8.123 1.00 0.00 H new ATOM 0 HA CYS A 48 0.208 -8.004 6.091 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.046 -6.950 8.309 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.613 -8.383 9.072 1.00 0.00 H new ATOM 0 HG CYS A 48 2.994 -7.873 7.162 1.00 0.00 H new ATOM 826 N ARG A 49 0.595 -10.984 7.290 1.00 0.00 N ATOM 827 CA ARG A 49 1.337 -12.231 7.171 1.00 0.00 C ATOM 828 C ARG A 49 1.160 -12.806 5.766 1.00 0.00 C ATOM 829 O ARG A 49 2.035 -13.505 5.253 1.00 0.00 O ATOM 830 CB ARG A 49 0.872 -13.231 8.244 1.00 0.00 C ATOM 831 CG ARG A 49 0.366 -14.561 7.698 1.00 0.00 C ATOM 832 CD ARG A 49 -0.247 -15.416 8.795 1.00 0.00 C ATOM 833 NE ARG A 49 -0.297 -16.829 8.425 1.00 0.00 N ATOM 834 CZ ARG A 49 0.749 -17.650 8.494 1.00 0.00 C ATOM 835 NH1 ARG A 49 1.924 -17.204 8.917 1.00 0.00 N ATOM 836 NH2 ARG A 49 0.618 -18.921 8.138 1.00 0.00 N ATOM 0 H ARG A 49 -0.302 -11.071 7.768 1.00 0.00 H new ATOM 0 HA ARG A 49 2.398 -12.037 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.701 -13.425 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.079 -12.770 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.376 -14.378 6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.190 -15.101 7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.333 -15.301 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.255 -15.062 9.010 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.184 -17.208 8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.030 -16.227 9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.722 -17.838 8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.284 -19.269 7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.419 -19.550 8.191 1.00 0.00 H new ATOM 850 N ASP A 50 0.022 -12.496 5.147 1.00 0.00 N ATOM 851 CA ASP A 50 -0.275 -12.968 3.801 1.00 0.00 C ATOM 852 C ASP A 50 0.102 -11.916 2.756 1.00 0.00 C ATOM 853 O ASP A 50 -0.008 -12.157 1.554 1.00 0.00 O ATOM 854 CB ASP A 50 -1.759 -13.320 3.677 1.00 0.00 C ATOM 855 CG ASP A 50 -2.089 -14.662 4.299 1.00 0.00 C ATOM 856 OD1 ASP A 50 -2.244 -14.720 5.538 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.192 -15.655 3.550 1.00 0.00 O ATOM 0 H ASP A 50 -0.710 -11.918 5.560 1.00 0.00 H new ATOM 0 HA ASP A 50 0.320 -13.863 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.355 -12.544 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.040 -13.332 2.624 1.00 0.00 H new ATOM 862 N GLY A 51 0.555 -10.751 3.221 1.00 0.00 N ATOM 863 CA GLY A 51 0.948 -9.689 2.314 1.00 0.00 C ATOM 864 C GLY A 51 -0.231 -9.055 1.601 1.00 0.00 C ATOM 865 O GLY A 51 -0.104 -8.602 0.466 1.00 0.00 O ATOM 0 H GLY A 51 0.656 -10.527 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.484 -8.921 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.642 -10.088 1.574 1.00 0.00 H new ATOM 869 N ARG A 52 -1.379 -9.022 2.267 1.00 0.00 N ATOM 870 CA ARG A 52 -2.579 -8.436 1.689 1.00 0.00 C ATOM 871 C ARG A 52 -3.498 -7.857 2.752 1.00 0.00 C ATOM 872 O ARG A 52 -3.860 -8.530 3.715 1.00 0.00 O ATOM 873 CB ARG A 52 -3.330 -9.478 0.874 1.00 0.00 C ATOM 874 CG ARG A 52 -2.778 -9.614 -0.523 1.00 0.00 C ATOM 875 CD ARG A 52 -2.300 -11.030 -0.802 1.00 0.00 C ATOM 876 NE ARG A 52 -3.310 -11.824 -1.497 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.304 -13.154 -1.546 1.00 0.00 C ATOM 878 NH1 ARG A 52 -2.347 -13.844 -0.938 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.260 -13.796 -2.203 1.00 0.00 N ATOM 0 H ARG A 52 -1.503 -9.395 3.208 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.263 -7.619 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.275 -10.442 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.384 -9.205 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.546 -9.340 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.951 -8.917 -0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.391 -10.994 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.041 -11.517 0.138 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.065 -11.330 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.610 -13.355 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.348 -14.863 -0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.999 -13.271 -2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.256 -14.815 -2.241 1.00 0.00 H new ATOM 893 N SER A 53 -3.881 -6.605 2.552 1.00 0.00 N ATOM 894 CA SER A 53 -4.779 -5.923 3.477 1.00 0.00 C ATOM 895 C SER A 53 -5.724 -4.981 2.739 1.00 0.00 C ATOM 896 O SER A 53 -5.414 -4.493 1.647 1.00 0.00 O ATOM 897 CB SER A 53 -3.988 -5.148 4.529 1.00 0.00 C ATOM 898 OG SER A 53 -4.669 -5.139 5.772 1.00 0.00 O ATOM 0 H SER A 53 -3.585 -6.039 1.757 1.00 0.00 H new ATOM 0 HA SER A 53 -5.376 -6.687 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.003 -5.598 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.830 -4.124 4.189 1.00 0.00 H new ATOM 0 HG SER A 53 -4.720 -4.221 6.111 1.00 0.00 H new ATOM 904 N GLU A 54 -6.868 -4.715 3.358 1.00 0.00 N ATOM 905 CA GLU A 54 -7.859 -3.814 2.787 1.00 0.00 C ATOM 906 C GLU A 54 -8.141 -2.675 3.759 1.00 0.00 C ATOM 907 O GLU A 54 -8.890 -2.838 4.722 1.00 0.00 O ATOM 908 CB GLU A 54 -9.152 -4.570 2.473 1.00 0.00 C ATOM 909 CG GLU A 54 -10.252 -3.686 1.908 1.00 0.00 C ATOM 910 CD GLU A 54 -11.278 -4.470 1.113 1.00 0.00 C ATOM 911 OE1 GLU A 54 -11.517 -5.648 1.450 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.844 -3.904 0.153 1.00 0.00 O ATOM 0 H GLU A 54 -7.132 -5.113 4.259 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.465 -3.402 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.934 -5.365 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.513 -5.048 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.751 -3.166 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.808 -2.923 1.269 1.00 0.00 H new ATOM 919 N ILE A 55 -7.523 -1.526 3.511 1.00 0.00 N ATOM 920 CA ILE A 55 -7.695 -0.366 4.375 1.00 0.00 C ATOM 921 C ILE A 55 -8.429 0.763 3.655 1.00 0.00 C ATOM 922 O ILE A 55 -8.276 0.949 2.449 1.00 0.00 O ATOM 923 CB ILE A 55 -6.337 0.166 4.886 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.270 0.076 3.787 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.894 -0.591 6.135 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.656 -1.301 3.635 1.00 0.00 C ATOM 0 H ILE A 55 -6.899 -1.374 2.719 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.292 -0.698 5.224 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.462 1.215 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.716 0.371 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.479 0.794 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.936 -0.200 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.639 -0.464 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.790 -1.650 5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.912 -1.282 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.179 -1.592 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.435 -2.021 3.386 1.00 0.00 H new ATOM 938 N ALA A 56 -9.216 1.519 4.414 1.00 0.00 N ATOM 939 CA ALA A 56 -9.968 2.642 3.868 1.00 0.00 C ATOM 940 C ALA A 56 -9.146 3.919 3.935 1.00 0.00 C ATOM 941 O ALA A 56 -8.250 4.051 4.768 1.00 0.00 O ATOM 942 CB ALA A 56 -11.280 2.825 4.615 1.00 0.00 C ATOM 0 H ALA A 56 -9.349 1.372 5.415 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.191 2.424 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.825 3.668 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.881 1.920 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.075 3.018 5.668 1.00 0.00 H new ATOM 948 N PHE A 57 -9.448 4.853 3.046 1.00 0.00 N ATOM 949 CA PHE A 57 -8.732 6.119 2.995 1.00 0.00 C ATOM 950 C PHE A 57 -9.659 7.254 3.436 1.00 0.00 C ATOM 951 O PHE A 57 -10.740 7.428 2.874 1.00 0.00 O ATOM 952 CB PHE A 57 -8.249 6.349 1.560 1.00 0.00 C ATOM 953 CG PHE A 57 -6.958 7.107 1.438 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.753 6.491 1.732 1.00 0.00 C ATOM 955 CD2 PHE A 57 -6.948 8.421 1.004 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.559 7.173 1.594 1.00 0.00 C ATOM 957 CE2 PHE A 57 -5.757 9.109 0.869 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.561 8.484 1.164 1.00 0.00 C ATOM 0 H PHE A 57 -10.186 4.758 2.348 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.875 6.095 3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.132 5.381 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.023 6.889 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.746 5.466 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.880 8.914 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.625 6.680 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.761 10.135 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.630 9.020 1.058 1.00 0.00 H new ATOM 968 N VAL A 58 -9.249 8.011 4.452 1.00 0.00 N ATOM 969 CA VAL A 58 -10.076 9.105 4.963 1.00 0.00 C ATOM 970 C VAL A 58 -10.025 10.340 4.065 1.00 0.00 C ATOM 971 O VAL A 58 -10.955 11.147 4.062 1.00 0.00 O ATOM 972 CB VAL A 58 -9.663 9.507 6.392 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.655 10.502 6.979 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.541 8.275 7.278 1.00 0.00 C ATOM 0 H VAL A 58 -8.358 7.890 4.934 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.098 8.726 4.974 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.688 9.991 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.345 10.773 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.685 11.396 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.646 10.050 7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.249 8.577 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.501 7.760 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.786 7.605 6.867 1.00 0.00 H new ATOM 984 N ALA A 59 -8.941 10.494 3.312 1.00 0.00 N ATOM 985 CA ALA A 59 -8.788 11.645 2.424 1.00 0.00 C ATOM 986 C ALA A 59 -10.036 11.870 1.574 1.00 0.00 C ATOM 987 O ALA A 59 -10.531 12.992 1.467 1.00 0.00 O ATOM 988 CB ALA A 59 -7.572 11.469 1.530 1.00 0.00 C ATOM 0 H ALA A 59 -8.158 9.841 3.297 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.646 12.526 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.473 12.335 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.678 11.376 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.692 10.570 0.926 1.00 0.00 H new ATOM 994 N THR A 60 -10.537 10.798 0.970 1.00 0.00 N ATOM 995 CA THR A 60 -11.726 10.884 0.128 1.00 0.00 C ATOM 996 C THR A 60 -12.653 9.690 0.354 1.00 0.00 C ATOM 997 O THR A 60 -13.540 9.425 -0.458 1.00 0.00 O ATOM 998 CB THR A 60 -11.324 10.957 -1.346 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.683 9.761 -1.751 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.389 12.106 -1.655 1.00 0.00 C ATOM 0 H THR A 60 -10.140 9.862 1.047 1.00 0.00 H new ATOM 0 HA THR A 60 -12.265 11.791 0.401 1.00 0.00 H new ATOM 0 HB THR A 60 -12.255 11.110 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.435 9.827 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.143 12.100 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.874 13.048 -1.400 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.475 11.999 -1.071 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.444 8.973 1.454 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.273 7.820 1.750 1.00 0.00 C ATOM 1010 C GLY A 61 -13.176 6.754 0.678 1.00 0.00 C ATOM 1011 O GLY A 61 -14.171 6.113 0.338 1.00 0.00 O ATOM 0 H GLY A 61 -11.718 9.169 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.974 7.397 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.311 8.137 1.851 1.00 0.00 H new ATOM 1015 N THR A 62 -11.974 6.568 0.143 1.00 0.00 N ATOM 1016 CA THR A 62 -11.746 5.576 -0.900 1.00 0.00 C ATOM 1017 C THR A 62 -11.172 4.291 -0.315 1.00 0.00 C ATOM 1018 O THR A 62 -10.211 4.324 0.455 1.00 0.00 O ATOM 1019 CB THR A 62 -10.797 6.135 -1.963 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.451 5.134 -2.903 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.511 6.690 -1.387 1.00 0.00 C ATOM 0 H THR A 62 -11.142 7.092 0.415 1.00 0.00 H new ATOM 0 HA THR A 62 -12.705 5.344 -1.363 1.00 0.00 H new ATOM 0 HB THR A 62 -11.344 6.950 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.846 5.511 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.885 7.070 -2.194 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.742 7.500 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.979 5.900 -0.856 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.758 3.158 -0.690 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.292 1.863 -0.206 1.00 0.00 C ATOM 1031 C ASN A 63 -10.064 1.423 -0.991 1.00 0.00 C ATOM 1032 O ASN A 63 -10.001 1.598 -2.209 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.400 0.815 -0.331 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.055 -0.477 0.385 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -10.968 -0.618 0.945 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.982 -1.427 0.369 1.00 0.00 N ATOM 0 H ASN A 63 -12.554 3.110 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.024 1.961 0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.326 1.218 0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.582 0.606 -1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.807 -2.318 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.869 -1.266 -0.108 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.081 0.866 -0.293 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.854 0.425 -0.942 1.00 0.00 C ATOM 1045 C LEU A 64 -7.481 -1.001 -0.552 1.00 0.00 C ATOM 1046 O LEU A 64 -7.270 -1.305 0.623 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.703 1.370 -0.590 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.656 2.666 -1.401 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.104 3.802 -0.555 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -5.818 2.478 -2.657 1.00 0.00 C ATOM 0 H LEU A 64 -9.109 0.710 0.715 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.032 0.442 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.773 1.624 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.762 0.838 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.672 2.923 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.077 4.717 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.743 3.951 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.095 3.553 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.795 3.410 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.802 2.198 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.255 1.691 -3.272 1.00 0.00 H new ATOM 1062 N SER A 65 -7.372 -1.861 -1.557 1.00 0.00 N ATOM 1063 CA SER A 65 -6.991 -3.252 -1.349 1.00 0.00 C ATOM 1064 C SER A 65 -5.637 -3.494 -2.005 1.00 0.00 C ATOM 1065 O SER A 65 -5.541 -3.594 -3.229 1.00 0.00 O ATOM 1066 CB SER A 65 -8.042 -4.195 -1.939 1.00 0.00 C ATOM 1067 OG SER A 65 -9.347 -3.825 -1.526 1.00 0.00 O ATOM 0 H SER A 65 -7.544 -1.616 -2.532 1.00 0.00 H new ATOM 0 HA SER A 65 -6.924 -3.452 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.982 -4.176 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.834 -5.218 -1.626 1.00 0.00 H new ATOM 0 HG SER A 65 -10.001 -4.441 -1.917 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.587 -3.550 -1.194 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.240 -3.733 -1.719 1.00 0.00 C ATOM 1075 C LEU A 66 -2.571 -5.004 -1.209 1.00 0.00 C ATOM 1076 O LEU A 66 -2.837 -5.470 -0.102 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.364 -2.520 -1.386 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.706 -1.766 -0.093 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.998 -0.977 -0.239 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.777 -2.713 1.098 1.00 0.00 C ATOM 0 H LEU A 66 -4.641 -3.472 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.342 -3.831 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.328 -2.853 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.423 -1.817 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.901 -1.056 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.213 -0.454 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.892 -0.252 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.817 -1.659 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.021 -2.148 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.547 -3.464 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.814 -3.206 1.229 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.677 -5.540 -2.037 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.922 -6.739 -1.703 1.00 0.00 C ATOM 1094 C GLN A 67 0.555 -6.387 -1.571 1.00 0.00 C ATOM 1095 O GLN A 67 1.240 -6.156 -2.566 1.00 0.00 O ATOM 1096 CB GLN A 67 -1.116 -7.814 -2.775 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.561 -7.974 -3.223 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.770 -7.579 -4.672 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.949 -6.875 -5.261 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.875 -8.030 -5.256 1.00 0.00 N ATOM 0 H GLN A 67 -1.458 -5.154 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.286 -7.135 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.501 -7.567 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.756 -8.768 -2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.867 -9.011 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.204 -7.365 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.529 -8.611 -4.731 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.070 -7.795 -6.229 1.00 0.00 H new ATOM 1109 N PHE A 68 1.030 -6.328 -0.334 1.00 0.00 N ATOM 1110 CA PHE A 68 2.420 -5.977 -0.060 1.00 0.00 C ATOM 1111 C PHE A 68 3.295 -7.172 0.297 1.00 0.00 C ATOM 1112 O PHE A 68 2.981 -7.972 1.178 1.00 0.00 O ATOM 1113 CB PHE A 68 2.522 -4.896 1.022 1.00 0.00 C ATOM 1114 CG PHE A 68 1.282 -4.717 1.850 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.626 -5.796 2.430 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.767 -3.448 2.033 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.521 -5.600 3.174 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.374 -3.249 2.774 1.00 0.00 C ATOM 1119 CZ PHE A 68 -1.020 -4.323 3.345 1.00 0.00 C ATOM 0 H PHE A 68 0.473 -6.519 0.499 1.00 0.00 H new ATOM 0 HA PHE A 68 2.808 -5.579 -0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.352 -5.141 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.764 -3.946 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.016 -6.795 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.268 -2.601 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.027 -6.443 3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.764 -2.251 2.908 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.917 -4.167 3.926 1.00 0.00 H new ATOM 1129 N PHE A 69 4.414 -7.241 -0.409 1.00 0.00 N ATOM 1130 CA PHE A 69 5.422 -8.278 -0.233 1.00 0.00 C ATOM 1131 C PHE A 69 6.753 -7.796 -0.801 1.00 0.00 C ATOM 1132 O PHE A 69 6.777 -6.967 -1.710 1.00 0.00 O ATOM 1133 CB PHE A 69 5.005 -9.578 -0.922 1.00 0.00 C ATOM 1134 CG PHE A 69 4.233 -10.515 -0.039 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.629 -10.739 1.273 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.120 -11.179 -0.523 1.00 0.00 C ATOM 1137 CE1 PHE A 69 3.926 -11.610 2.081 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.412 -12.050 0.283 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.816 -12.266 1.586 1.00 0.00 C ATOM 0 H PHE A 69 4.652 -6.565 -1.135 1.00 0.00 H new ATOM 0 HA PHE A 69 5.526 -8.479 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.400 -9.336 -1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.898 -10.088 -1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.495 -10.227 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.801 -11.015 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.244 -11.778 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.544 -12.561 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.264 -12.947 2.217 1.00 0.00 H new ATOM 1149 N PRO A 70 7.881 -8.304 -0.288 1.00 0.00 N ATOM 1150 CA PRO A 70 9.204 -7.905 -0.775 1.00 0.00 C ATOM 1151 C PRO A 70 9.370 -8.181 -2.265 1.00 0.00 C ATOM 1152 O PRO A 70 9.424 -9.333 -2.693 1.00 0.00 O ATOM 1153 CB PRO A 70 10.170 -8.767 0.046 1.00 0.00 C ATOM 1154 CG PRO A 70 9.391 -9.195 1.244 1.00 0.00 C ATOM 1155 CD PRO A 70 7.962 -9.301 0.791 1.00 0.00 C ATOM 0 HA PRO A 70 9.377 -6.835 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.515 -9.627 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.056 -8.201 0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.752 -10.151 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.491 -8.472 2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.726 -10.303 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.265 -9.079 1.599 1.00 0.00 H new ATOM 1163 N ALA A 71 9.447 -7.112 -3.052 1.00 0.00 N ATOM 1164 CA ALA A 71 9.603 -7.231 -4.498 1.00 0.00 C ATOM 1165 C ALA A 71 10.855 -8.024 -4.865 1.00 0.00 C ATOM 1166 O ALA A 71 10.971 -8.532 -5.980 1.00 0.00 O ATOM 1167 CB ALA A 71 9.645 -5.851 -5.138 1.00 0.00 C ATOM 0 H ALA A 71 9.404 -6.151 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 71 8.741 -7.777 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.762 -5.954 -6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.717 -5.321 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.486 -5.288 -4.734 1.00 0.00 H new ATOM 1173 N SER A 72 11.792 -8.128 -3.926 1.00 0.00 N ATOM 1174 CA SER A 72 13.031 -8.859 -4.163 1.00 0.00 C ATOM 1175 C SER A 72 12.931 -10.297 -3.660 1.00 0.00 C ATOM 1176 O SER A 72 13.936 -10.905 -3.292 1.00 0.00 O ATOM 1177 CB SER A 72 14.201 -8.150 -3.479 1.00 0.00 C ATOM 1178 OG SER A 72 14.219 -6.770 -3.800 1.00 0.00 O ATOM 0 H SER A 72 11.716 -7.716 -2.996 1.00 0.00 H new ATOM 0 HA SER A 72 13.203 -8.885 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.124 -8.274 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.140 -8.611 -3.787 1.00 0.00 H new ATOM 0 HG SER A 72 14.975 -6.339 -3.349 1.00 0.00 H new ATOM 1319 N PRO A 81 6.614 -12.722 5.574 1.00 0.00 N ATOM 1320 CA PRO A 81 7.000 -11.516 4.836 1.00 0.00 C ATOM 1321 C PRO A 81 8.238 -10.845 5.418 1.00 0.00 C ATOM 1322 O PRO A 81 8.683 -11.181 6.516 1.00 0.00 O ATOM 1323 CB PRO A 81 5.777 -10.593 4.972 1.00 0.00 C ATOM 1324 CG PRO A 81 4.845 -11.288 5.912 1.00 0.00 C ATOM 1325 CD PRO A 81 5.168 -12.750 5.805 1.00 0.00 C ATOM 0 HA PRO A 81 7.261 -11.747 3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.066 -9.616 5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.304 -10.426 4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.982 -10.931 6.933 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.806 -11.097 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.910 -13.293 6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.632 -13.228 4.985 1.00 0.00 H new ATOM 1333 N SER A 82 8.786 -9.893 4.673 1.00 0.00 N ATOM 1334 CA SER A 82 9.971 -9.169 5.111 1.00 0.00 C ATOM 1335 C SER A 82 9.602 -7.764 5.573 1.00 0.00 C ATOM 1336 O SER A 82 8.501 -7.283 5.307 1.00 0.00 O ATOM 1337 CB SER A 82 10.998 -9.094 3.979 1.00 0.00 C ATOM 1338 OG SER A 82 12.320 -9.134 4.486 1.00 0.00 O ATOM 0 H SER A 82 8.428 -9.605 3.762 1.00 0.00 H new ATOM 0 HA SER A 82 10.409 -9.708 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.845 -9.924 3.289 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.851 -8.176 3.411 1.00 0.00 H new ATOM 0 HG SER A 82 12.957 -9.086 3.743 1.00 0.00 H new ATOM 1344 N ARG A 83 10.534 -7.107 6.258 1.00 0.00 N ATOM 1345 CA ARG A 83 10.310 -5.749 6.751 1.00 0.00 C ATOM 1346 C ARG A 83 10.624 -4.716 5.669 1.00 0.00 C ATOM 1347 O ARG A 83 10.665 -3.516 5.940 1.00 0.00 O ATOM 1348 CB ARG A 83 11.161 -5.477 7.997 1.00 0.00 C ATOM 1349 CG ARG A 83 11.360 -6.689 8.900 1.00 0.00 C ATOM 1350 CD ARG A 83 10.243 -6.813 9.923 1.00 0.00 C ATOM 1351 NE ARG A 83 10.435 -7.960 10.807 1.00 0.00 N ATOM 1352 CZ ARG A 83 10.150 -9.215 10.466 1.00 0.00 C ATOM 1353 NH1 ARG A 83 9.658 -9.488 9.265 1.00 0.00 N ATOM 1354 NH2 ARG A 83 10.356 -10.199 11.331 1.00 0.00 N ATOM 0 H ARG A 83 11.451 -7.492 6.485 1.00 0.00 H new ATOM 0 HA ARG A 83 9.257 -5.662 7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.138 -5.109 7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.692 -4.681 8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.400 -7.593 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.318 -6.607 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.194 -5.901 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.288 -6.909 9.407 1.00 0.00 H new ATOM 0 HE ARG A 83 10.809 -7.789 11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.496 -8.734 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.442 -10.451 9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.732 -9.994 12.257 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.138 -11.161 11.071 1.00 0.00 H new ATOM 1368 N GLU A 84 10.823 -5.185 4.437 1.00 0.00 N ATOM 1369 CA GLU A 84 11.104 -4.299 3.317 1.00 0.00 C ATOM 1370 C GLU A 84 9.830 -3.595 2.909 1.00 0.00 C ATOM 1371 O GLU A 84 9.825 -2.403 2.602 1.00 0.00 O ATOM 1372 CB GLU A 84 11.671 -5.091 2.137 1.00 0.00 C ATOM 1373 CG GLU A 84 13.182 -5.242 2.175 1.00 0.00 C ATOM 1374 CD GLU A 84 13.688 -6.283 1.197 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.412 -7.482 1.410 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.361 -5.900 0.217 1.00 0.00 O ATOM 0 H GLU A 84 10.794 -6.175 4.193 1.00 0.00 H new ATOM 0 HA GLU A 84 11.847 -3.561 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.216 -6.081 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.387 -4.596 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.645 -4.281 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.491 -5.516 3.184 1.00 0.00 H new ATOM 1383 N TYR A 85 8.747 -4.354 2.919 1.00 0.00 N ATOM 1384 CA TYR A 85 7.445 -3.834 2.565 1.00 0.00 C ATOM 1385 C TYR A 85 6.549 -3.823 3.795 1.00 0.00 C ATOM 1386 O TYR A 85 5.885 -2.829 4.079 1.00 0.00 O ATOM 1387 CB TYR A 85 6.837 -4.674 1.445 1.00 0.00 C ATOM 1388 CG TYR A 85 7.451 -4.394 0.088 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.824 -4.193 -0.056 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.658 -4.324 -1.049 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.379 -3.934 -1.295 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.208 -4.066 -2.290 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.568 -3.872 -2.407 1.00 0.00 C ATOM 1394 OH TYR A 85 9.118 -3.614 -3.643 1.00 0.00 O ATOM 0 H TYR A 85 8.749 -5.342 3.172 1.00 0.00 H new ATOM 0 HA TYR A 85 7.543 -2.811 2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.963 -5.730 1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.765 -4.483 1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.463 -4.240 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.592 -4.474 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.444 -3.781 -1.391 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.576 -4.017 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 85 10.087 -3.500 -3.553 1.00 0.00 H new ATOM 1404 N VAL A 86 6.567 -4.921 4.547 1.00 0.00 N ATOM 1405 CA VAL A 86 5.783 -5.012 5.774 1.00 0.00 C ATOM 1406 C VAL A 86 6.693 -5.269 6.967 1.00 0.00 C ATOM 1407 O VAL A 86 7.237 -6.359 7.130 1.00 0.00 O ATOM 1408 CB VAL A 86 4.713 -6.119 5.719 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.385 -5.561 5.240 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.155 -7.280 4.841 1.00 0.00 C ATOM 0 H VAL A 86 7.113 -5.755 4.329 1.00 0.00 H new ATOM 0 HA VAL A 86 5.272 -4.055 5.882 1.00 0.00 H new ATOM 0 HB VAL A 86 4.583 -6.501 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.644 -6.360 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.050 -4.782 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.506 -5.140 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.376 -8.042 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.333 -6.922 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.074 -7.709 5.240 1.00 0.00 H new ATOM 1420 N ASP A 87 6.848 -4.249 7.794 1.00 0.00 N ATOM 1421 CA ASP A 87 7.694 -4.329 8.976 1.00 0.00 C ATOM 1422 C ASP A 87 6.862 -4.461 10.244 1.00 0.00 C ATOM 1423 O ASP A 87 5.806 -3.842 10.377 1.00 0.00 O ATOM 1424 CB ASP A 87 8.583 -3.084 9.060 1.00 0.00 C ATOM 1425 CG ASP A 87 9.666 -3.201 10.115 1.00 0.00 C ATOM 1426 OD1 ASP A 87 9.477 -3.968 11.080 1.00 0.00 O ATOM 1427 OD2 ASP A 87 10.704 -2.522 9.975 1.00 0.00 O ATOM 0 H ASP A 87 6.393 -3.345 7.667 1.00 0.00 H new ATOM 0 HA ASP A 87 8.318 -5.219 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.046 -2.909 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.962 -2.215 9.279 1.00 0.00 H new ATOM 1515 N GLY A 93 4.261 0.694 18.183 1.00 0.00 N ATOM 1516 CA GLY A 93 3.063 1.501 18.300 1.00 0.00 C ATOM 1517 C GLY A 93 2.028 1.113 17.265 1.00 0.00 C ATOM 1518 O GLY A 93 0.852 0.935 17.581 1.00 0.00 O ATOM 0 HA2 GLY A 93 2.641 1.385 19.298 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.320 2.554 18.182 1.00 0.00 H new ATOM 1522 N LYS A 94 2.479 0.970 16.024 1.00 0.00 N ATOM 1523 CA LYS A 94 1.606 0.583 14.921 1.00 0.00 C ATOM 1524 C LYS A 94 2.414 -0.194 13.888 1.00 0.00 C ATOM 1525 O LYS A 94 3.637 -0.285 13.988 1.00 0.00 O ATOM 1526 CB LYS A 94 0.969 1.814 14.256 1.00 0.00 C ATOM 1527 CG LYS A 94 0.995 3.072 15.113 1.00 0.00 C ATOM 1528 CD LYS A 94 2.371 3.719 15.108 1.00 0.00 C ATOM 1529 CE LYS A 94 2.737 4.272 16.476 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.788 5.760 16.479 1.00 0.00 N ATOM 0 H LYS A 94 3.452 1.118 15.755 1.00 0.00 H new ATOM 0 HA LYS A 94 0.805 -0.041 15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.488 2.016 13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.066 1.582 14.004 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.256 3.782 14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.712 2.823 16.136 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.117 2.986 14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.392 4.523 14.373 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.008 3.932 17.212 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.705 3.875 16.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.041 6.097 17.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.502 6.084 15.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.857 6.140 16.213 1.00 0.00 H new ATOM 1544 N VAL A 95 1.735 -0.742 12.891 1.00 0.00 N ATOM 1545 CA VAL A 95 2.409 -1.496 11.840 1.00 0.00 C ATOM 1546 C VAL A 95 2.180 -0.843 10.481 1.00 0.00 C ATOM 1547 O VAL A 95 1.048 -0.516 10.127 1.00 0.00 O ATOM 1548 CB VAL A 95 1.931 -2.966 11.797 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.416 -3.038 11.900 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.421 -3.661 10.533 1.00 0.00 C ATOM 0 H VAL A 95 0.722 -0.680 12.786 1.00 0.00 H new ATOM 0 HA VAL A 95 3.475 -1.490 12.069 1.00 0.00 H new ATOM 0 HB VAL A 95 2.358 -3.488 12.654 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.098 -4.080 11.868 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.093 -2.589 12.839 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.031 -2.497 11.067 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.072 -4.693 10.527 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.032 -3.141 9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.511 -3.647 10.509 1.00 0.00 H new ATOM 1560 N TYR A 96 3.257 -0.669 9.717 1.00 0.00 N ATOM 1561 CA TYR A 96 3.161 -0.066 8.389 1.00 0.00 C ATOM 1562 C TYR A 96 3.580 -1.028 7.294 1.00 0.00 C ATOM 1563 O TYR A 96 4.388 -1.933 7.508 1.00 0.00 O ATOM 1564 CB TYR A 96 3.938 1.257 8.283 1.00 0.00 C ATOM 1565 CG TYR A 96 4.964 1.501 9.371 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.874 0.526 9.759 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.008 2.731 10.014 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.797 0.775 10.762 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.925 2.986 11.012 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.817 2.006 11.382 1.00 0.00 C ATOM 1571 OH TYR A 96 7.735 2.258 12.374 1.00 0.00 O ATOM 0 H TYR A 96 4.202 -0.936 9.993 1.00 0.00 H new ATOM 0 HA TYR A 96 2.106 0.166 8.243 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.444 1.284 7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.223 2.080 8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.862 -0.438 9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.310 3.503 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.498 0.008 11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.943 3.949 11.500 1.00 0.00 H new ATOM 0 HH TYR A 96 7.616 3.172 12.706 1.00 0.00 H new ATOM 1581 N LEU A 97 2.988 -0.833 6.122 1.00 0.00 N ATOM 1582 CA LEU A 97 3.248 -1.682 4.972 1.00 0.00 C ATOM 1583 C LEU A 97 3.484 -0.861 3.718 1.00 0.00 C ATOM 1584 O LEU A 97 3.196 0.336 3.678 1.00 0.00 O ATOM 1585 CB LEU A 97 2.077 -2.630 4.746 1.00 0.00 C ATOM 1586 CG LEU A 97 1.303 -3.003 6.011 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.359 -1.879 6.414 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.541 -4.293 5.798 1.00 0.00 C ATOM 0 H LEU A 97 2.318 -0.085 5.945 1.00 0.00 H new ATOM 0 HA LEU A 97 4.151 -2.256 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.388 -2.172 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.451 -3.543 4.283 1.00 0.00 H new ATOM 0 HG LEU A 97 2.015 -3.153 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.182 -2.164 7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.933 -0.973 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.351 -1.694 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.006 -4.547 6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.162 -4.169 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.241 -5.094 5.560 1.00 0.00 H new ATOM 1600 N LYS A 98 4.002 -1.529 2.698 1.00 0.00 N ATOM 1601 CA LYS A 98 4.288 -0.895 1.416 1.00 0.00 C ATOM 1602 C LYS A 98 4.082 -1.890 0.282 1.00 0.00 C ATOM 1603 O LYS A 98 4.669 -2.969 0.286 1.00 0.00 O ATOM 1604 CB LYS A 98 5.725 -0.373 1.387 1.00 0.00 C ATOM 1605 CG LYS A 98 6.005 0.577 0.234 1.00 0.00 C ATOM 1606 CD LYS A 98 7.254 1.405 0.487 1.00 0.00 C ATOM 1607 CE LYS A 98 8.510 0.662 0.060 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.487 1.559 -0.616 1.00 0.00 N ATOM 0 H LYS A 98 4.236 -2.521 2.733 1.00 0.00 H new ATOM 0 HA LYS A 98 3.604 -0.056 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.936 0.137 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.409 -1.219 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.125 0.007 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.151 1.239 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.184 2.347 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.319 1.653 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.978 0.210 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.239 -0.151 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.328 1.012 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.050 1.971 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.766 2.321 0.034 1.00 0.00 H new ATOM 1622 N ALA A 99 3.244 -1.531 -0.685 1.00 0.00 N ATOM 1623 CA ALA A 99 2.972 -2.417 -1.810 1.00 0.00 C ATOM 1624 C ALA A 99 3.042 -1.676 -3.143 1.00 0.00 C ATOM 1625 O ALA A 99 2.749 -0.483 -3.219 1.00 0.00 O ATOM 1626 CB ALA A 99 1.609 -3.071 -1.641 1.00 0.00 C ATOM 0 H ALA A 99 2.746 -0.641 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 99 3.743 -3.188 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.415 -3.731 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.595 -3.650 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.839 -2.301 -1.598 1.00 0.00 H new ATOM 1632 N PRO A 100 3.425 -2.386 -4.221 1.00 0.00 N ATOM 1633 CA PRO A 100 3.528 -1.819 -5.555 1.00 0.00 C ATOM 1634 C PRO A 100 2.227 -1.983 -6.336 1.00 0.00 C ATOM 1635 O PRO A 100 1.720 -3.095 -6.481 1.00 0.00 O ATOM 1636 CB PRO A 100 4.652 -2.646 -6.194 1.00 0.00 C ATOM 1637 CG PRO A 100 4.786 -3.895 -5.363 1.00 0.00 C ATOM 1638 CD PRO A 100 3.787 -3.805 -4.235 1.00 0.00 C ATOM 0 HA PRO A 100 3.725 -0.747 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.413 -2.892 -7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.587 -2.086 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.598 -4.780 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.799 -3.986 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.919 -4.440 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.222 -4.119 -3.286 1.00 0.00 H new ATOM 1646 N MET A 101 1.681 -0.872 -6.823 1.00 0.00 N ATOM 1647 CA MET A 101 0.429 -0.907 -7.570 1.00 0.00 C ATOM 1648 C MET A 101 0.532 -0.120 -8.870 1.00 0.00 C ATOM 1649 O MET A 101 1.517 0.576 -9.116 1.00 0.00 O ATOM 1650 CB MET A 101 -0.710 -0.338 -6.725 1.00 0.00 C ATOM 1651 CG MET A 101 -1.065 -1.190 -5.520 1.00 0.00 C ATOM 1652 SD MET A 101 -1.606 -0.202 -4.112 1.00 0.00 S ATOM 1653 CE MET A 101 -3.336 0.039 -4.511 1.00 0.00 C ATOM 0 H MET A 101 2.084 0.059 -6.714 1.00 0.00 H new ATOM 0 HA MET A 101 0.223 -1.950 -7.812 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.433 0.660 -6.384 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.594 -0.226 -7.352 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.855 -1.890 -5.794 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.198 -1.784 -5.231 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.703 0.937 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.449 0.150 -5.589 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.911 -0.823 -4.173 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.506 -0.231 -9.692 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.558 0.474 -10.965 1.00 0.00 C ATOM 1665 C ILE A 102 -1.703 1.483 -10.969 1.00 0.00 C ATOM 1666 O ILE A 102 -2.872 1.112 -11.078 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.730 -0.508 -12.147 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.514 -1.389 -12.288 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.003 0.245 -13.445 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.736 -0.640 -12.777 1.00 0.00 C ATOM 0 H ILE A 102 -1.326 -0.806 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 102 0.389 0.999 -11.088 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.589 -1.146 -11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.739 -1.843 -11.323 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.296 -2.203 -12.980 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.120 -0.468 -14.261 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.916 0.831 -13.341 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.168 0.911 -13.662 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.578 -1.328 -12.853 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.531 -0.209 -13.757 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.980 0.156 -12.074 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.356 2.759 -10.856 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.348 3.828 -10.853 1.00 0.00 C ATOM 1684 C LEU A 103 -2.287 4.598 -12.163 1.00 0.00 C ATOM 1685 O LEU A 103 -1.236 4.672 -12.780 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.128 4.776 -9.673 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.859 4.392 -8.384 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.412 5.277 -7.231 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.366 4.490 -8.577 1.00 0.00 C ATOM 0 H LEU A 103 -0.392 3.080 -10.765 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.336 3.379 -10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.060 4.829 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.445 5.777 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.608 3.359 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.943 4.988 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.339 5.159 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.633 6.318 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.870 4.214 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.633 5.512 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.675 3.814 -9.374 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.424 5.150 -12.582 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.536 5.911 -13.838 1.00 0.00 C ATOM 1703 C ASN A 104 -2.229 5.962 -14.642 1.00 0.00 C ATOM 1704 O ASN A 104 -1.440 6.898 -14.508 1.00 0.00 O ATOM 1705 CB ASN A 104 -3.985 7.338 -13.530 1.00 0.00 C ATOM 1706 CG ASN A 104 -4.565 8.037 -14.744 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -5.079 7.394 -15.658 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -4.485 9.363 -14.758 1.00 0.00 N ATOM 0 H ASN A 104 -4.300 5.085 -12.063 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.269 5.389 -14.453 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.731 7.318 -12.735 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.136 7.910 -13.156 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.859 9.888 -15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.050 9.856 -13.978 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.031 4.951 -15.491 1.00 0.00 N ATOM 1716 CA GLY A 105 -0.844 4.874 -16.340 1.00 0.00 C ATOM 1717 C GLY A 105 0.436 5.334 -15.662 1.00 0.00 C ATOM 1718 O GLY A 105 1.170 6.154 -16.212 1.00 0.00 O ATOM 0 H GLY A 105 -2.680 4.173 -15.608 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.716 3.844 -16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.008 5.480 -17.231 1.00 0.00 H new ATOM 1722 N VAL A 106 0.701 4.806 -14.473 1.00 0.00 N ATOM 1723 CA VAL A 106 1.892 5.162 -13.714 1.00 0.00 C ATOM 1724 C VAL A 106 2.159 4.127 -12.627 1.00 0.00 C ATOM 1725 O VAL A 106 1.228 3.555 -12.061 1.00 0.00 O ATOM 1726 CB VAL A 106 1.739 6.551 -13.052 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.881 6.822 -12.081 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.659 7.645 -14.104 1.00 0.00 C ATOM 0 H VAL A 106 0.100 4.123 -14.011 1.00 0.00 H new ATOM 0 HA VAL A 106 2.728 5.190 -14.413 1.00 0.00 H new ATOM 0 HB VAL A 106 0.807 6.552 -12.487 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.749 7.805 -11.629 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.883 6.061 -11.300 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.829 6.794 -12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.552 8.613 -13.615 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.569 7.640 -14.704 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.799 7.467 -14.749 1.00 0.00 H new ATOM 1738 N CYS A 107 3.432 3.905 -12.323 1.00 0.00 N ATOM 1739 CA CYS A 107 3.805 2.954 -11.284 1.00 0.00 C ATOM 1740 C CYS A 107 3.744 3.634 -9.924 1.00 0.00 C ATOM 1741 O CYS A 107 4.490 4.576 -9.657 1.00 0.00 O ATOM 1742 CB CYS A 107 5.209 2.401 -11.539 1.00 0.00 C ATOM 1743 SG CYS A 107 5.674 1.037 -10.447 1.00 0.00 S ATOM 0 H CYS A 107 4.219 4.368 -12.778 1.00 0.00 H new ATOM 0 HA CYS A 107 3.103 2.120 -11.300 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.272 2.062 -12.573 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.932 3.208 -11.423 1.00 0.00 H new ATOM 0 HG CYS A 107 6.875 0.636 -10.741 1.00 0.00 H new ATOM 1749 N VAL A 108 2.837 3.170 -9.073 1.00 0.00 N ATOM 1750 CA VAL A 108 2.669 3.760 -7.754 1.00 0.00 C ATOM 1751 C VAL A 108 2.929 2.752 -6.641 1.00 0.00 C ATOM 1752 O VAL A 108 3.091 1.557 -6.890 1.00 0.00 O ATOM 1753 CB VAL A 108 1.257 4.347 -7.591 1.00 0.00 C ATOM 1754 CG1 VAL A 108 1.055 5.507 -8.556 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.205 3.270 -7.813 1.00 0.00 C ATOM 0 H VAL A 108 2.210 2.391 -9.273 1.00 0.00 H new ATOM 0 HA VAL A 108 3.406 4.559 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 108 1.149 4.723 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.052 5.914 -8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.790 6.285 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.178 5.154 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.789 3.702 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.306 2.865 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.343 2.471 -7.084 1.00 0.00 H new ATOM 1765 N ILE A 109 2.977 3.253 -5.413 1.00 0.00 N ATOM 1766 CA ILE A 109 3.228 2.420 -4.247 1.00 0.00 C ATOM 1767 C ILE A 109 2.469 2.937 -3.031 1.00 0.00 C ATOM 1768 O ILE A 109 2.709 4.053 -2.570 1.00 0.00 O ATOM 1769 CB ILE A 109 4.728 2.384 -3.903 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.567 2.164 -5.167 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.009 1.299 -2.873 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.048 2.006 -4.894 1.00 0.00 C ATOM 0 H ILE A 109 2.844 4.241 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 109 2.885 1.416 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 109 5.008 3.346 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.205 1.275 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.419 3.007 -5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.074 1.286 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.441 1.503 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.714 0.330 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.577 1.854 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.426 2.904 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.208 1.146 -4.244 1.00 0.00 H new ATOM 1784 N TRP A 110 1.563 2.121 -2.507 1.00 0.00 N ATOM 1785 CA TRP A 110 0.786 2.506 -1.335 1.00 0.00 C ATOM 1786 C TRP A 110 1.481 2.036 -0.062 1.00 0.00 C ATOM 1787 O TRP A 110 1.937 0.895 0.019 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.627 1.920 -1.407 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.491 2.312 -0.246 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.502 3.229 -0.248 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.419 1.797 1.089 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -3.059 3.320 1.004 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.414 2.451 1.842 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.611 0.847 1.723 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.620 2.186 3.193 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.818 0.585 3.065 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.815 1.252 3.787 1.00 0.00 C ATOM 0 H TRP A 110 1.349 1.193 -2.872 1.00 0.00 H new ATOM 0 HA TRP A 110 0.711 3.593 -1.317 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.102 2.248 -2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.560 0.833 -1.451 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.818 3.800 -1.109 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.829 3.936 1.267 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.161 0.328 1.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.388 2.699 3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.200 -0.146 3.565 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.952 1.025 4.834 1.00 0.00 H new ATOM 1808 N LYS A 111 1.563 2.917 0.928 1.00 0.00 N ATOM 1809 CA LYS A 111 2.207 2.581 2.190 1.00 0.00 C ATOM 1810 C LYS A 111 1.583 3.358 3.345 1.00 0.00 C ATOM 1811 O LYS A 111 1.305 4.551 3.225 1.00 0.00 O ATOM 1812 CB LYS A 111 3.714 2.861 2.105 1.00 0.00 C ATOM 1813 CG LYS A 111 4.405 2.995 3.456 1.00 0.00 C ATOM 1814 CD LYS A 111 4.283 4.408 4.002 1.00 0.00 C ATOM 1815 CE LYS A 111 5.587 5.176 3.864 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.861 6.025 5.057 1.00 0.00 N ATOM 0 H LYS A 111 1.193 3.866 0.881 1.00 0.00 H new ATOM 0 HA LYS A 111 2.057 1.518 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.190 2.056 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 111 3.870 3.779 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.966 2.291 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.458 2.731 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.491 4.936 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.992 4.369 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.408 4.474 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.546 5.803 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.759 6.532 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.090 6.712 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.926 5.424 5.903 1.00 0.00 H new ATOM 1830 N GLY A 112 1.367 2.673 4.462 1.00 0.00 N ATOM 1831 CA GLY A 112 0.780 3.320 5.623 1.00 0.00 C ATOM 1832 C GLY A 112 0.732 2.414 6.837 1.00 0.00 C ATOM 1833 O GLY A 112 0.814 1.193 6.707 1.00 0.00 O ATOM 0 H GLY A 112 1.587 1.685 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.355 4.214 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.231 3.647 5.379 1.00 0.00 H new ATOM 1837 N TRP A 113 0.596 3.007 8.023 1.00 0.00 N ATOM 1838 CA TRP A 113 0.536 2.224 9.252 1.00 0.00 C ATOM 1839 C TRP A 113 -0.847 2.286 9.888 1.00 0.00 C ATOM 1840 O TRP A 113 -1.572 3.272 9.745 1.00 0.00 O ATOM 1841 CB TRP A 113 1.595 2.683 10.261 1.00 0.00 C ATOM 1842 CG TRP A 113 1.471 4.117 10.675 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.246 5.159 10.257 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.528 4.663 11.605 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.835 6.324 10.860 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.783 6.045 11.692 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.509 4.120 12.367 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.038 6.889 12.512 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.246 4.959 13.181 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.970 6.330 13.249 1.00 0.00 C ATOM 0 H TRP A 113 0.526 4.016 8.156 1.00 0.00 H new ATOM 0 HA TRP A 113 0.743 1.190 8.977 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.531 2.054 11.149 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.584 2.526 9.829 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.063 5.080 9.555 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.246 7.246 10.712 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.731 3.064 12.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.249 7.947 12.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.049 4.550 13.775 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.564 6.958 13.896 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.188 1.223 10.606 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.468 1.126 11.296 1.00 0.00 C ATOM 1863 C ILE A 114 -2.227 0.862 12.773 1.00 0.00 C ATOM 1864 O ILE A 114 -1.277 0.167 13.132 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.368 -0.008 10.736 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.933 -0.436 9.330 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.826 0.432 10.727 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.998 0.679 8.309 1.00 0.00 C ATOM 0 H ILE A 114 -0.588 0.407 10.726 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.985 2.073 11.140 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.259 -0.871 11.392 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.913 -0.817 9.375 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.566 -1.259 8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.446 -0.372 10.332 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.141 0.668 11.743 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.935 1.316 10.099 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.676 0.303 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.022 1.045 8.235 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.343 1.494 8.618 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.083 1.401 13.630 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.923 1.190 15.059 1.00 0.00 C ATOM 1882 C ASP A 115 -3.600 -0.115 15.459 1.00 0.00 C ATOM 1883 O ASP A 115 -4.700 -0.430 14.998 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.487 2.373 15.854 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.940 2.191 16.221 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.716 1.764 15.346 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.300 2.471 17.384 1.00 0.00 O ATOM 0 H ASP A 115 -3.882 1.978 13.366 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.860 1.120 15.292 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.901 2.506 16.763 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.377 3.285 15.267 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.915 -0.883 16.290 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.411 -2.178 16.728 1.00 0.00 C ATOM 1894 C LEU A 116 -4.517 -2.077 17.779 1.00 0.00 C ATOM 1895 O LEU A 116 -4.850 -3.074 18.420 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.247 -3.004 17.267 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.990 -2.983 16.389 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.268 -3.019 17.244 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.006 -4.143 15.400 1.00 0.00 C ATOM 0 H LEU A 116 -2.006 -0.629 16.678 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.857 -2.665 15.861 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.987 -2.637 18.260 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.575 -4.037 17.385 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.986 -2.052 15.822 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.147 -3.003 16.599 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.285 -2.150 17.902 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.274 -3.929 17.844 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.106 -4.110 14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.039 -5.086 15.946 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.885 -4.063 14.760 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.103 -0.894 17.953 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.178 -0.738 18.927 1.00 0.00 C ATOM 1913 C HIS A 117 -7.508 -0.482 18.221 1.00 0.00 C ATOM 1914 O HIS A 117 -8.407 -1.322 18.249 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.862 0.413 19.887 1.00 0.00 C ATOM 1916 CG HIS A 117 -6.971 0.720 20.846 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -6.937 0.363 22.179 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -8.151 1.356 20.660 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -8.048 0.766 22.768 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -8.801 1.372 21.869 1.00 0.00 N ATOM 0 H HIS A 117 -4.857 -0.046 17.443 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.260 -1.662 19.499 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -4.963 0.167 20.452 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.638 1.308 19.306 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -8.514 1.774 19.732 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.298 0.624 23.809 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.717 1.785 22.044 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.617 0.671 17.572 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.829 1.022 16.838 1.00 0.00 C ATOM 1931 C ARG A 118 -8.756 0.551 15.384 1.00 0.00 C ATOM 1932 O ARG A 118 -9.765 0.542 14.679 1.00 0.00 O ATOM 1933 CB ARG A 118 -9.089 2.532 16.892 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.828 3.375 16.894 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.101 4.796 16.426 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.841 5.781 17.474 1.00 0.00 N ATOM 1937 CZ ARG A 118 -8.731 6.138 18.399 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -9.938 5.585 18.422 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -8.411 7.050 19.306 1.00 0.00 N ATOM 0 H ARG A 118 -6.883 1.378 17.538 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.660 0.510 17.322 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.702 2.816 16.037 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.667 2.759 17.788 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.407 3.397 17.899 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.082 2.915 16.246 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.478 5.017 15.559 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.139 4.877 16.102 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.922 6.222 17.499 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -10.190 4.881 17.728 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -10.613 5.864 19.134 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.485 7.477 19.295 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -9.091 7.325 20.015 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.553 0.177 14.934 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.346 -0.276 13.558 1.00 0.00 C ATOM 1955 C LEU A 119 -7.321 0.905 12.595 1.00 0.00 C ATOM 1956 O LEU A 119 -7.680 0.781 11.424 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.435 -1.253 13.138 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.820 -2.296 14.191 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.652 -3.403 13.564 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.579 -2.874 14.856 1.00 0.00 C ATOM 0 H LEU A 119 -6.708 0.180 15.505 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.382 -0.784 13.521 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.326 -0.685 12.870 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.106 -1.773 12.238 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.420 -1.803 14.956 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.917 -4.136 14.327 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.561 -2.978 13.138 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.076 -3.890 12.777 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.876 -3.613 15.601 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.951 -3.350 14.103 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.020 -2.074 15.342 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.893 2.047 13.103 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.808 3.264 12.305 1.00 0.00 C ATOM 1974 C ASP A 120 -5.442 3.917 12.473 1.00 0.00 C ATOM 1975 O ASP A 120 -4.856 3.876 13.555 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.910 4.246 12.706 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.253 3.567 12.898 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.622 2.731 12.048 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.935 3.873 13.900 1.00 0.00 O ATOM 0 H ASP A 120 -6.596 2.160 14.072 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.942 2.995 11.257 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.625 4.749 13.630 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.002 5.016 11.940 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.933 4.515 11.400 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.635 5.158 11.468 1.00 0.00 C ATOM 1986 C GLY A 121 -3.446 6.226 10.411 1.00 0.00 C ATOM 1987 O GLY A 121 -4.316 7.074 10.211 1.00 0.00 O ATOM 0 H GLY A 121 -5.393 4.565 10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.508 5.605 12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.856 4.404 11.357 1.00 0.00 H new ATOM 1991 N MET A 122 -2.301 6.188 9.737 1.00 0.00 N ATOM 1992 CA MET A 122 -1.993 7.163 8.698 1.00 0.00 C ATOM 1993 C MET A 122 -1.382 6.486 7.478 1.00 0.00 C ATOM 1994 O MET A 122 -0.449 5.691 7.597 1.00 0.00 O ATOM 1995 CB MET A 122 -1.034 8.229 9.235 1.00 0.00 C ATOM 1996 CG MET A 122 -1.601 9.028 10.398 1.00 0.00 C ATOM 1997 SD MET A 122 -1.455 10.810 10.158 1.00 0.00 S ATOM 1998 CE MET A 122 -3.180 11.279 10.045 1.00 0.00 C ATOM 0 H MET A 122 -1.571 5.492 9.892 1.00 0.00 H new ATOM 0 HA MET A 122 -2.926 7.640 8.398 1.00 0.00 H new ATOM 0 HB2 MET A 122 -0.109 7.747 9.553 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.775 8.913 8.427 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.651 8.769 10.533 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.082 8.746 11.314 1.00 0.00 H new ATOM 0 HE1 MET A 122 -3.352 12.177 10.638 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.436 11.476 9.004 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.803 10.469 10.424 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.914 6.807 6.304 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.411 6.224 5.075 1.00 0.00 C ATOM 2010 C GLY A 123 -0.928 7.273 4.095 1.00 0.00 C ATOM 2011 O GLY A 123 -1.320 8.437 4.180 1.00 0.00 O ATOM 0 H GLY A 123 -2.686 7.462 6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.592 5.543 5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.197 5.630 4.609 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.075 6.863 3.164 1.00 0.00 N ATOM 2016 CA CYS A 124 0.462 7.778 2.166 1.00 0.00 C ATOM 2017 C CYS A 124 0.855 7.032 0.896 1.00 0.00 C ATOM 2018 O CYS A 124 1.312 5.891 0.953 1.00 0.00 O ATOM 2019 CB CYS A 124 1.672 8.528 2.730 1.00 0.00 C ATOM 2020 SG CYS A 124 3.143 7.502 2.968 1.00 0.00 S ATOM 0 H CYS A 124 0.259 5.903 3.080 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.317 8.498 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.921 9.349 2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.395 8.972 3.686 1.00 0.00 H new ATOM 0 HG CYS A 124 4.108 8.231 3.446 1.00 0.00 H new ATOM 2026 N LEU A 125 0.682 7.684 -0.248 1.00 0.00 N ATOM 2027 CA LEU A 125 1.031 7.075 -1.528 1.00 0.00 C ATOM 2028 C LEU A 125 2.398 7.565 -1.999 1.00 0.00 C ATOM 2029 O LEU A 125 2.903 8.579 -1.521 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.034 7.382 -2.587 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.343 6.598 -2.449 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.245 6.849 -3.649 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.059 5.112 -2.293 1.00 0.00 C ATOM 0 H LEU A 125 0.304 8.629 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 125 1.075 5.995 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.263 8.447 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.388 7.181 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.860 6.944 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.170 6.284 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.475 7.912 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.737 6.531 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.000 4.570 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.520 4.751 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.453 4.949 -1.402 1.00 0.00 H new ATOM 2045 N GLU A 126 2.994 6.834 -2.934 1.00 0.00 N ATOM 2046 CA GLU A 126 4.301 7.187 -3.470 1.00 0.00 C ATOM 2047 C GLU A 126 4.425 6.712 -4.910 1.00 0.00 C ATOM 2048 O GLU A 126 3.716 5.800 -5.329 1.00 0.00 O ATOM 2049 CB GLU A 126 5.412 6.572 -2.617 1.00 0.00 C ATOM 2050 CG GLU A 126 5.903 7.488 -1.508 1.00 0.00 C ATOM 2051 CD GLU A 126 7.209 7.017 -0.897 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.166 6.148 -0.001 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.274 7.516 -1.317 1.00 0.00 O ATOM 0 H GLU A 126 2.589 5.989 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 126 4.403 8.272 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.049 5.644 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.252 6.312 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.034 8.495 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.143 7.549 -0.729 1.00 0.00 H new ATOM 2060 N PHE A 127 5.319 7.327 -5.670 1.00 0.00 N ATOM 2061 CA PHE A 127 5.516 6.947 -7.054 1.00 0.00 C ATOM 2062 C PHE A 127 6.826 6.172 -7.200 1.00 0.00 C ATOM 2063 O PHE A 127 7.792 6.433 -6.484 1.00 0.00 O ATOM 2064 CB PHE A 127 5.495 8.202 -7.932 1.00 0.00 C ATOM 2065 CG PHE A 127 6.206 8.052 -9.238 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.582 8.028 -9.276 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.499 7.936 -10.420 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.250 7.891 -10.476 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.158 7.799 -11.623 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.539 7.775 -11.651 1.00 0.00 C ATOM 0 H PHE A 127 5.916 8.089 -5.349 1.00 0.00 H new ATOM 0 HA PHE A 127 4.709 6.291 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.459 8.478 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.946 9.026 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.144 8.117 -8.358 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.419 7.953 -10.401 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.330 7.875 -10.494 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.596 7.711 -12.541 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.060 7.666 -12.591 1.00 0.00 H new ATOM 2080 N ASP A 128 6.845 5.209 -8.115 1.00 0.00 N ATOM 2081 CA ASP A 128 8.033 4.389 -8.333 1.00 0.00 C ATOM 2082 C ASP A 128 8.956 5.010 -9.379 1.00 0.00 C ATOM 2083 O ASP A 128 8.643 5.020 -10.568 1.00 0.00 O ATOM 2084 CB ASP A 128 7.629 2.980 -8.770 1.00 0.00 C ATOM 2085 CG ASP A 128 8.522 1.911 -8.173 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.740 2.156 -8.049 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.003 0.828 -7.829 1.00 0.00 O ATOM 0 H ASP A 128 6.054 4.977 -8.716 1.00 0.00 H new ATOM 0 HA ASP A 128 8.577 4.335 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.596 2.793 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.667 2.915 -9.857 1.00 0.00 H new ATOM 2092 N GLU A 129 10.098 5.522 -8.924 1.00 0.00 N ATOM 2093 CA GLU A 129 11.074 6.137 -9.818 1.00 0.00 C ATOM 2094 C GLU A 129 12.080 5.106 -10.322 1.00 0.00 C ATOM 2095 O GLU A 129 12.632 5.245 -11.413 1.00 0.00 O ATOM 2096 CB GLU A 129 11.808 7.276 -9.102 1.00 0.00 C ATOM 2097 CG GLU A 129 11.203 8.651 -9.352 1.00 0.00 C ATOM 2098 CD GLU A 129 12.095 9.777 -8.867 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.599 9.687 -7.728 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.290 10.748 -9.628 1.00 0.00 O ATOM 0 H GLU A 129 10.369 5.523 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 129 10.537 6.542 -10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.807 7.079 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.849 7.284 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.017 8.774 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.237 8.716 -8.851 1.00 0.00 H new